#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbo n MET 2 N 0.00 -1.68 -1.09 -0.41 0.00 -1.26 -4.96 117.12 107.71 2kbo n MET 2 Ca 0.00 1.17 -0.17 0.00 0.00 0.00 0.00 57.70 58.69 2kbo n MET 2 Cb 0.00 -3.09 0.12 0.00 0.00 0.00 0.00 33.22 30.25 2kbo n MET 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kbo n LEU 3 N -1.66 0.00 -4.46 4.03 7.99 -1.26 -4.99 117.00 116.65 2kbo n LEU 3 Ca -0.17 -0.85 -0.43 0.00 -0.01 0.00 0.00 56.01 54.54 2kbo n LEU 3 Cb 0.64 -0.60 -0.05 0.00 -0.11 0.00 0.00 43.42 43.30 2kbo n LEU 3 CO 0.59 -1.11 0.55 -0.13 -1.51 0.00 0.00 177.39 175.78 2kbo s ARG 4 N -4.71 3.17 -0.55 3.23 3.00 -1.26 -4.98 118.95 116.85 2kbo s ARG 4 Ca 0.45 -0.74 -0.26 0.00 0.00 0.00 0.00 55.73 55.18 2kbo s ARG 4 Cb -0.01 -4.13 -0.07 0.00 0.00 0.00 0.00 34.95 30.74 2kbo s ARG 4 CO 0.31 -1.45 2.33 -1.01 0.00 0.00 0.00 175.30 175.48 2kbo s HIS 5 N 3.31 1.17 0.00 -0.53 3.76 -1.26 -4.75 115.29 116.99 2kbo s HIS 5 Ca 0.21 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.62 2kbo s HIS 5 Cb -0.17 -3.64 0.00 0.00 1.11 0.00 0.00 32.58 29.88 2kbo s HIS 5 CO 0.13 -2.37 0.00 0.43 -0.85 0.00 0.00 174.74 172.08 2kbo n SER 6 N 15.80 0.00 -0.11 1.40 7.64 -1.26 -5.07 113.62 132.03 2kbo n SER 6 Ca 0.36 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2kbo n SER 6 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2kbo n SER 6 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2kbo n MET 7 N 0.00 0.00 -0.00 1.43 0.00 -1.26 -4.99 117.12 112.29 2kbo n MET 7 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.69 2kbo n MET 7 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.22 2kbo n MET 7 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2kbo n ASP 8 N 0.00 2.71 -3.24 3.17 2.03 -1.26 -4.76 116.55 115.19 2kbo n ASP 8 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kbo n ASP 8 Cb 0.34 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 2kbo n ASP 8 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2kbo n PRO 9 N -2.69 0.61 0.00 -0.67 -0.02 -1.26 -4.43 135.00 126.54 2kbo n PRO 9 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2kbo n PRO 9 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2kbo n PRO 9 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kbo n PRO 10 N -0.57 0.00 0.21 0.52 -0.02 -1.26 -2.66 135.00 131.21 2kbo n PRO 10 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 2kbo n PRO 10 Cb 0.00 -1.10 0.65 0.00 -0.02 0.00 0.00 33.50 33.02 2kbo n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kbo h THR 11 N 0.00 0.95 0.01 3.45 1.03 -1.91 -2.20 112.91 114.23 2kbo h THR 11 Ca 0.00 -0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 2kbo h THR 11 Cb 0.00 0.94 -0.06 0.00 -1.07 0.00 0.00 68.15 67.96 2kbo h THR 11 CO 0.00 0.00 -2.09 0.33 -0.01 0.00 0.00 175.52 173.75 2kbo n PHE 12 N -4.51 0.48 -0.12 0.00 -0.00 -1.09 -4.18 117.46 108.05 2kbo n PHE 12 Ca -0.00 0.17 0.19 0.00 -0.00 0.00 0.00 57.45 57.81 2kbo n PHE 12 Cb 0.19 -1.09 0.60 0.00 -0.00 0.00 0.00 39.48 39.19 2kbo n PHE 12 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 2kbo h THR 13 N 0.00 0.73 -0.72 -2.13 1.35 -1.61 -2.65 112.91 107.89 2kbo h THR 13 Ca -0.43 -0.07 0.06 0.00 -0.55 0.00 0.00 66.41 65.42 2kbo h THR 13 Cb 2.12 0.50 -0.09 0.00 -1.73 0.00 0.00 68.15 68.96 2kbo h THR 13 CO 0.05 0.04 -0.42 0.49 -0.25 0.00 0.00 175.52 175.42 2kbo n PHE 14 N -4.42 -0.31 0.00 4.73 3.72 -1.07 -4.80 117.46 115.30 2kbo n PHE 14 Ca 0.14 0.89 0.00 0.00 -0.05 0.00 0.00 57.45 58.43 2kbo n PHE 14 Cb 0.64 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 2kbo n PHE 14 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2kbo n ASN 15 N -4.67 0.00 -2.42 4.37 5.03 -1.00 -5.08 115.26 111.49 2kbo n ASN 15 Ca 0.01 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.45 2kbo n ASN 15 Cb 0.19 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.01 2kbo n ASN 15 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2kbo n PHE 16 N 0.00 -0.20 0.00 3.10 7.35 -1.26 -4.98 117.46 121.46 2kbo n PHE 16 Ca 0.00 -1.62 0.00 0.00 -0.76 0.00 0.00 57.45 55.07 2kbo n PHE 16 Cb 0.00 0.49 0.00 0.00 0.35 0.00 0.00 39.48 40.32 2kbo n PHE 16 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2kbo n ASN 17 N -0.74 0.00 0.00 -2.13 4.13 -1.26 -4.62 115.26 110.64 2kbo n ASN 17 Ca -0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.20 2kbo n ASN 17 Cb 0.86 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.10 2kbo n ASN 17 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2kbo n ASN 18 N 0.94 -4.38 -3.18 6.41 2.85 -1.26 -4.75 115.26 111.89 2kbo n ASN 18 Ca 0.00 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 2kbo n ASN 18 Cb 0.00 -2.72 -0.04 0.00 1.24 0.00 0.00 39.78 38.26 2kbo n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2kbo n GLU 19 N 0.70 1.00 -0.09 1.20 1.02 -1.26 -5.12 120.64 118.09 2kbo n GLU 19 Ca 0.00 -3.40 -0.02 0.00 -0.02 0.00 0.00 57.16 53.72 2kbo n GLU 19 Cb 0.36 -1.64 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 2kbo n GLU 19 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kbo n PRO 20 N 0.48 -0.98 -1.34 3.49 -0.04 -1.26 -4.88 135.00 130.47 2kbo n PRO 20 Ca 0.24 -0.13 0.03 0.00 -0.04 0.00 0.00 63.50 63.61 2kbo n PRO 20 Cb 0.63 -0.11 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 2kbo n PRO 20 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2kbo n TRP 21 N -2.58 -3.64 0.32 0.54 8.01 -1.26 -4.39 117.44 114.44 2kbo n TRP 21 Ca 0.01 1.98 0.21 0.00 -1.31 0.00 0.00 57.50 58.39 2kbo n TRP 21 Cb 0.04 -3.16 1.10 0.00 -2.01 0.00 0.00 31.31 27.28 2kbo n TRP 21 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.69 176.29 2kbo h VAL 22 N -0.13 0.06 0.00 -0.99 -1.51 -1.87 -3.41 116.25 108.40 2kbo h VAL 22 Ca -0.03 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 2kbo h VAL 22 Cb 0.91 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 2kbo h VAL 22 CO 0.01 0.01 0.00 -1.14 -1.23 0.00 0.00 177.57 175.22 2kbo n ARG 23 N -3.16 1.96 -2.10 5.19 0.63 -1.26 -4.17 116.66 113.75 2kbo n ARG 23 Ca -0.02 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.89 2kbo n ARG 23 Cb 0.12 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.04 2kbo n ARG 23 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kbo n GLY 24 N 4.17 0.40 7.00 5.14 0.00 -1.26 -4.35 105.19 116.29 2kbo n GLY 24 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2kbo n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbo n ARG 25 N -1.45 0.00 -1.87 1.61 1.74 -1.26 -3.48 116.66 111.94 2kbo n ARG 25 Ca -0.03 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.64 2kbo n ARG 25 Cb 0.52 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.94 2kbo n ARG 25 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2kbo n HIS 26 N 9.82 3.41 -3.09 -1.55 8.25 -1.26 -4.66 115.22 126.15 2kbo n HIS 26 Ca 0.00 -2.55 -0.00 0.00 -0.26 0.00 0.00 57.72 54.91 2kbo n HIS 26 Cb 0.00 -2.42 -0.00 0.00 1.12 0.00 0.00 29.99 28.69 2kbo n HIS 26 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2kbo s GLU 27 N 4.16 0.84 1.02 -0.41 2.56 -1.23 -4.71 118.70 120.93 2kbo s GLU 27 Ca 0.53 -0.42 -0.16 0.00 0.00 0.00 0.00 54.97 54.92 2kbo s GLU 27 Cb 0.10 0.06 0.21 0.00 2.00 0.00 0.00 34.13 36.50 2kbo s GLU 27 CO 0.02 -1.17 1.19 0.95 -0.56 0.00 0.00 175.26 175.69 2kbo s THR 28 N 1.64 1.87 -0.33 -1.70 -4.23 -1.26 -4.47 115.64 107.16 2kbo s THR 28 Ca 0.19 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.65 2kbo s THR 28 Cb -0.03 -2.76 0.25 0.00 1.34 0.00 0.00 72.50 71.30 2kbo s THR 28 CO -0.07 0.00 1.19 0.00 -0.54 0.00 0.00 174.62 175.20 2kbo n TYR 29 N -4.07 -0.50 -3.75 3.99 9.36 -1.26 -4.43 117.16 116.49 2kbo n TYR 29 Ca 0.12 -0.65 -0.13 0.00 3.32 0.00 0.00 57.90 60.55 2kbo n TYR 29 Cb 0.59 1.08 -0.10 0.00 -0.63 0.00 0.00 39.34 40.28 2kbo n TYR 29 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 2kbo s LEU 30 N 0.37 0.68 0.16 2.98 0.05 -1.26 -4.64 118.68 117.02 2kbo s LEU 30 Ca 0.25 0.58 -0.01 0.00 0.05 0.00 0.00 54.13 54.99 2kbo s LEU 30 Cb 0.18 1.23 -0.04 0.00 -2.05 0.00 0.00 46.19 45.50 2kbo s LEU 30 CO -0.09 -0.20 0.35 0.00 -0.55 0.00 0.00 176.35 175.86 2kbo s TYR 32 N -1.74 -0.23 -0.11 0.00 1.13 -1.03 -0.69 117.35 114.67 2kbo s TYR 32 Ca 0.38 0.61 0.01 0.00 -1.41 0.00 0.00 57.07 56.66 2kbo s TYR 32 Cb -0.12 -0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.72 2kbo s TYR 32 CO 0.28 -0.20 -0.11 -1.21 -2.51 0.00 0.00 175.55 171.80 2kbo s GLU 33 N 1.29 1.83 0.06 -3.49 2.02 0.25 -3.88 118.70 116.78 2kbo s GLU 33 Ca -0.08 -0.40 0.05 0.00 0.02 0.00 0.00 54.97 54.56 2kbo s GLU 33 Cb -0.11 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 2kbo s GLU 33 CO -0.07 -0.18 -0.14 0.54 0.02 0.00 0.00 175.26 175.44 2kbo s VAL 34 N 1.36 1.08 0.04 2.63 0.11 -1.26 0.12 120.40 124.49 2kbo s VAL 34 Ca -0.00 -1.23 0.05 0.00 -2.93 0.00 0.00 61.98 57.87 2kbo s VAL 34 Cb -0.14 -1.03 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 2kbo s VAL 34 CO -0.06 -0.18 -0.15 -1.61 -3.33 0.00 0.00 175.10 169.77 2kbo s GLU 35 N -1.60 0.99 -0.10 1.54 2.02 -0.85 -4.83 118.70 115.87 2kbo s GLU 35 Ca -0.02 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.13 2kbo s GLU 35 Cb -0.10 -1.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 2kbo s GLU 35 CO 0.02 0.25 0.04 -0.98 0.02 0.00 0.00 175.26 174.61 2kbo s ARG 36 N -1.21 3.12 -0.06 1.61 1.70 -1.25 -1.60 118.95 121.26 2kbo s ARG 36 Ca 0.02 -0.33 -0.04 0.00 -0.47 0.00 0.00 55.73 54.92 2kbo s ARG 36 Cb -0.08 -2.91 -0.04 0.00 -0.57 0.00 0.00 34.95 31.35 2kbo s ARG 36 CO 0.01 0.72 0.11 -1.64 -1.08 0.00 0.00 175.30 173.42 2kbo s MET 37 N -0.90 3.27 -0.39 3.89 -1.94 0.16 -1.59 119.30 121.80 2kbo s MET 37 Ca 0.14 -0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 53.80 2kbo s MET 37 Cb -0.12 -3.02 0.10 0.00 2.01 0.00 0.00 34.83 33.81 2kbo s MET 37 CO 0.03 0.71 0.16 -1.58 -0.01 0.00 0.00 175.02 174.32 2kbo s HIS 38 N -1.11 3.61 0.00 -0.03 2.46 -0.26 -2.71 115.29 117.24 2kbo s HIS 38 Ca 0.19 -2.51 0.00 0.00 0.47 0.00 0.00 55.06 53.21 2kbo s HIS 38 Cb -0.12 -3.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.24 2kbo s HIS 38 CO 0.09 -0.96 0.00 -1.71 -2.47 0.00 0.00 174.74 169.70 2kbo n ASN 39 N 4.52 -1.56 -0.01 9.88 5.15 -1.25 -2.52 115.26 129.48 2kbo n ASN 39 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 2kbo n ASN 39 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 2kbo n ASN 39 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2kbo n ASP 40 N -1.96 0.00 -4.11 1.20 8.00 -1.26 -4.53 116.55 113.89 2kbo n ASP 40 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 2kbo n ASP 40 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2kbo n ASP 40 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kbo s THR 41 N -1.66 0.54 0.08 -3.53 -1.32 -1.05 -5.16 115.64 103.55 2kbo s THR 41 Ca 0.00 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.53 2kbo s THR 41 Cb 0.00 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 2kbo s THR 41 CO 0.00 0.00 -0.01 -1.66 -2.21 0.00 0.00 174.62 170.74 2kbo s TRP 42 N -3.47 2.97 0.12 9.09 1.48 -1.26 -1.10 118.94 126.77 2kbo s TRP 42 Ca 0.33 -0.03 0.08 0.00 -1.06 0.00 0.00 56.10 55.42 2kbo s TRP 42 Cb 0.05 -1.54 -0.04 0.00 -1.16 0.00 0.00 33.47 30.78 2kbo s TRP 42 CO 0.16 0.47 -0.19 0.08 -4.06 0.00 0.00 176.95 173.41 2kbo s VAL 43 N -1.27 1.66 -0.36 -0.66 1.01 -0.62 -4.75 120.40 115.41 2kbo s VAL 43 Ca 0.24 -1.63 -0.00 0.00 0.00 0.00 0.00 61.98 60.59 2kbo s VAL 43 Cb -0.12 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.77 2kbo s VAL 43 CO 0.17 -0.16 0.10 -1.48 0.00 0.00 0.00 175.10 173.73 2kbo s LEU 44 N -2.12 4.74 1.04 3.92 2.34 -1.26 -3.93 118.68 123.42 2kbo s LEU 44 Ca 0.08 -1.88 -0.24 0.00 0.06 0.00 0.00 54.13 52.16 2kbo s LEU 44 Cb -0.09 -1.73 -0.09 0.00 -0.56 0.00 0.00 46.19 43.72 2kbo s LEU 44 CO 0.05 -0.42 -0.94 0.00 -1.06 0.00 0.00 176.35 173.98 2kbo n LEU 45 N 4.49 -2.89 -3.34 1.48 -0.00 -1.26 -4.97 117.00 110.50 2kbo n LEU 45 Ca -0.03 -0.02 -0.25 0.00 -0.00 0.00 0.00 56.01 55.70 2kbo n LEU 45 Cb 0.42 -0.69 -0.09 0.00 -0.00 0.00 0.00 43.42 43.06 2kbo n LEU 45 CO 0.28 -2.96 -0.29 -3.20 -0.00 0.00 0.00 177.39 171.22 2kbo n ASN 46 N 1.62 -0.64 0.00 1.45 5.15 -1.26 -4.98 115.26 116.60 2kbo n ASN 46 Ca -0.01 -2.42 0.00 0.00 -0.60 0.00 0.00 54.58 51.55 2kbo n ASN 46 Cb 0.70 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 2kbo n ASN 46 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2kbo n GLN 47 N 2.77 0.00 0.00 1.20 -0.06 -1.26 -5.18 117.38 114.86 2kbo n GLN 47 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.29 2kbo n GLN 47 Cb 0.49 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.67 2kbo n GLN 47 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 2kbo n ARG 48 N -1.32 0.00 -3.55 3.69 1.85 -1.26 -5.14 116.66 110.94 2kbo n ARG 48 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 2kbo n ARG 48 Cb 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.32 2kbo n ARG 48 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2kbo s ARG 49 N -1.59 4.08 0.00 2.89 3.03 -1.26 -5.01 118.95 121.09 2kbo s ARG 49 Ca 0.00 -0.11 0.00 0.00 2.03 0.00 0.00 55.73 57.65 2kbo s ARG 49 Cb 0.00 -3.57 0.00 0.00 -1.03 0.00 0.00 34.95 30.35 2kbo s ARG 49 CO 0.00 -0.03 0.00 0.41 -1.13 0.00 0.00 175.30 174.55 2kbo n GLY 50 N 4.33 2.24 3.87 3.88 0.00 -1.25 -5.00 105.19 113.26 2kbo n GLY 50 Ca -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 2kbo n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kbo s PHE 51 N -1.67 0.09 0.03 1.61 5.36 -1.26 -2.47 117.98 119.67 2kbo s PHE 51 Ca 0.00 -0.55 -0.00 0.00 -0.96 0.00 0.00 56.93 55.41 2kbo s PHE 51 Cb 0.00 0.73 -0.04 0.00 -0.34 0.00 0.00 43.02 43.37 2kbo s PHE 51 CO 0.00 -1.06 0.15 -0.51 -1.46 0.00 0.00 175.22 172.34 2kbo s LEU 52 N -3.36 4.17 0.34 6.12 2.01 -1.26 -5.05 118.68 121.65 2kbo s LEU 52 Ca 0.21 0.22 0.04 0.00 0.01 0.00 0.00 54.13 54.61 2kbo s LEU 52 Cb -0.03 -2.64 -0.06 0.00 0.01 0.00 0.00 46.19 43.47 2kbo s LEU 52 CO 0.07 0.22 0.07 0.00 1.01 0.00 0.00 176.35 177.71 2kbo n ASN 54 N -0.79 0.00 -4.49 0.00 3.02 -1.26 -4.60 115.26 107.14 2kbo n ASN 54 Ca -0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.20 2kbo n ASN 54 Cb 0.66 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.99 2kbo n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbo n GLN 55 N 0.00 -0.74 -3.65 3.52 0.00 -1.26 -4.48 117.38 110.78 2kbo n GLN 55 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 57.00 56.70 2kbo n GLN 55 Cb 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 30.24 28.13 2kbo n GLN 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kbo s ALA 56 N -2.46 -1.05 -1.00 2.61 0.00 -1.26 -4.99 121.76 113.61 2kbo s ALA 56 Ca 0.61 0.32 -0.23 0.00 0.00 0.00 0.00 51.96 52.67 2kbo s ALA 56 Cb -0.21 0.38 -0.12 0.00 0.00 0.00 0.00 23.12 23.17 2kbo s ALA 56 CO 0.64 -0.48 1.92 -0.35 0.00 0.00 0.00 175.76 177.49 2kbo n PRO 57 N 0.43 1.52 -0.22 0.00 -0.04 -1.26 -4.59 135.00 130.83 2kbo n PRO 57 Ca -0.18 -2.19 0.11 0.00 -0.04 0.00 0.00 63.50 61.20 2kbo n PRO 57 Cb 0.60 -3.39 0.26 0.00 -0.04 0.00 0.00 33.50 30.93 2kbo n PRO 57 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2kbo n HIS 58 N 11.65 0.59 -1.26 0.54 1.44 -1.26 -4.96 115.22 121.95 2kbo n HIS 58 Ca 0.47 -0.29 -0.29 0.00 -2.01 0.00 0.00 57.72 55.59 2kbo n HIS 58 Cb 0.44 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.70 2kbo n HIS 58 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2kbo s LYS 59 N -1.41 0.93 -0.27 -1.40 1.02 -1.26 -4.53 119.74 112.82 2kbo s LYS 59 Ca 0.39 0.59 -0.05 0.00 0.02 0.00 0.00 55.97 56.93 2kbo s LYS 59 Cb 0.22 -1.79 0.01 0.00 -0.52 0.00 0.00 37.83 35.75 2kbo s LYS 59 CO 0.30 -2.41 0.14 0.72 -0.92 0.00 0.00 175.35 173.18 2kbo n HIS 60 N -3.96 -2.98 -0.97 3.18 8.25 -1.26 -4.81 115.22 112.67 2kbo n HIS 60 Ca 0.06 1.29 0.00 0.00 -0.26 0.00 0.00 57.72 58.81 2kbo n HIS 60 Cb 0.57 -3.23 0.00 0.00 1.12 0.00 0.00 29.99 28.44 2kbo n HIS 60 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kbo n GLY 61 N 0.62 -3.70 3.52 -1.41 0.00 -1.26 -4.84 105.19 98.11 2kbo n GLY 61 Ca 0.01 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2kbo n GLY 61 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kbo s PHE 62 N -4.33 3.20 0.52 1.61 5.36 -1.26 -4.92 117.98 118.16 2kbo s PHE 62 Ca 0.00 -0.17 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 2kbo s PHE 62 Cb 0.00 -2.73 0.02 0.00 -0.34 0.00 0.00 43.02 39.97 2kbo s PHE 62 CO 0.00 -0.52 0.75 -0.51 -1.46 0.00 0.00 175.22 173.47 2kbo s LEU 63 N 2.02 3.38 0.00 6.12 2.01 -1.26 -5.10 118.68 125.85 2kbo s LEU 63 Ca 0.11 0.10 -0.13 0.00 0.01 0.00 0.00 54.13 54.22 2kbo s LEU 63 Cb -0.17 -2.97 0.18 0.00 0.01 0.00 0.00 46.19 43.24 2kbo s LEU 63 CO 0.12 -1.01 0.92 -1.84 1.01 0.00 0.00 176.35 175.55 2kbo n GLU 64 N -2.27 -1.40 -0.86 1.70 0.00 -1.26 -4.83 120.64 111.73 2kbo n GLU 64 Ca 0.06 -1.43 -0.44 0.00 0.00 0.00 0.00 57.16 55.35 2kbo n GLU 64 Cb 0.59 -1.05 -0.08 0.00 0.00 0.00 0.00 31.44 30.90 2kbo n GLU 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kbo n GLY 65 N -1.73 1.67 3.65 -1.84 0.00 -1.26 -4.88 105.19 100.80 2kbo n GLY 65 Ca 0.12 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2kbo n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbo s ARG 66 N 5.87 3.95 0.27 1.61 0.52 -1.26 -4.98 118.95 124.93 2kbo s ARG 66 Ca 0.62 2.40 0.04 0.00 -0.52 0.00 0.00 55.73 58.28 2kbo s ARG 66 Cb 0.15 -4.17 -0.03 0.00 0.52 0.00 0.00 34.95 31.42 2kbo s ARG 66 CO 0.22 -1.16 0.41 -1.01 0.02 0.00 0.00 175.30 173.77 2kbo s HIS 67 N 5.12 3.43 0.12 -0.53 3.76 -1.26 -4.79 115.29 121.14 2kbo s HIS 67 Ca 0.88 0.03 0.07 0.00 -0.15 0.00 0.00 55.06 55.89 2kbo s HIS 67 Cb -0.39 -1.67 0.45 0.00 1.11 0.00 0.00 32.58 32.08 2kbo s HIS 67 CO 0.38 0.34 0.52 0.00 -0.85 0.00 0.00 174.74 175.13 2kbo n ALA 68 N -1.50 0.34 0.22 -1.40 0.00 -1.26 0.54 120.51 117.45 2kbo n ALA 68 Ca -0.07 0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.56 2kbo n ALA 68 Cb 0.57 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 2kbo n ALA 68 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kbo h GLU 69 N 0.00 -0.78 0.00 0.00 9.09 -1.94 -1.73 114.58 119.22 2kbo h GLU 69 Ca 0.28 0.05 -0.03 0.00 0.05 0.00 0.00 59.36 59.72 2kbo h GLU 69 Cb 0.74 0.18 -0.00 0.00 -1.65 0.00 0.00 28.75 28.02 2kbo h GLU 69 CO -0.26 -0.52 -0.13 -0.07 0.05 0.00 0.00 179.01 178.09 2kbo h LEU 70 N -0.80 0.00 0.32 3.06 -0.00 -0.20 -2.94 115.31 114.74 2kbo h LEU 70 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 2kbo h LEU 70 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.36 2kbo h LEU 70 CO -0.08 0.13 -0.32 0.00 -0.00 0.00 0.00 178.44 178.17 2kbo h PHE 72 N -0.64 1.20 -1.37 0.00 -5.15 -1.50 0.20 116.94 109.67 2kbo h PHE 72 Ca -0.04 -0.10 0.40 0.00 -0.20 0.00 0.00 57.97 58.03 2kbo h PHE 72 Cb 0.55 -0.36 -0.05 0.00 0.22 0.00 0.00 35.95 36.31 2kbo h PHE 72 CO -0.18 0.92 1.26 1.25 -2.00 0.00 0.00 178.31 179.56 2kbo h LEU 73 N 1.13 0.00 0.00 2.10 5.85 -1.30 3.47 115.31 126.56 2kbo h LEU 73 Ca 0.26 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 2kbo h LEU 73 Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2kbo h LEU 73 CO -0.02 0.00 -1.60 -0.67 -0.34 0.00 0.00 178.44 175.82 2kbo n ASP 74 N -3.55 0.45 -0.04 1.25 2.03 0.65 -4.44 116.55 112.90 2kbo n ASP 74 Ca 0.31 0.18 -0.14 0.00 0.52 0.00 0.00 54.79 55.66 2kbo n ASP 74 Cb 1.68 1.03 -0.11 0.00 -0.72 0.00 0.00 41.12 42.99 2kbo n ASP 74 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2kbo h VAL 75 N 0.00 1.57 -0.86 5.18 3.04 0.70 -3.26 116.25 122.62 2kbo h VAL 75 Ca -0.09 -1.74 0.14 0.00 -1.01 0.00 0.00 66.70 64.01 2kbo h VAL 75 Cb 1.24 2.73 -0.14 0.00 -2.01 0.00 0.00 31.29 33.11 2kbo h VAL 75 CO 0.01 0.46 -0.30 -0.38 -1.01 0.00 0.00 177.57 176.34 2kbo n ILE 76 N -4.70 -0.43 0.30 3.17 2.08 -0.81 0.34 119.36 119.32 2kbo n ILE 76 Ca -0.09 1.99 0.17 0.00 0.56 0.00 0.00 62.75 65.39 2kbo n ILE 76 Cb 0.38 -2.67 0.78 0.00 -0.75 0.00 0.00 39.64 37.38 2kbo n ILE 76 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2kbo h PRO 77 N 0.00 0.00 -0.84 0.38 0.13 -1.81 -2.64 132.00 127.23 2kbo h PRO 77 Ca 0.33 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.57 2kbo h PRO 77 Cb 0.54 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.59 2kbo h PRO 77 CO -0.86 0.00 0.46 0.35 -0.23 0.00 0.00 178.00 177.72 2kbo h PHE 78 N 0.00 0.82 0.00 1.56 3.04 0.58 0.40 116.94 123.34 2kbo h PHE 78 Ca 0.00 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.83 2kbo h PHE 78 Cb 0.33 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 2kbo h PHE 78 CO 0.00 0.27 -1.19 -1.49 -2.02 0.00 0.00 178.31 173.88 2kbo h TRP 79 N 0.72 0.00 -6.11 0.41 6.55 -1.42 -3.49 115.95 112.62 2kbo h TRP 79 Ca 0.43 0.00 -0.37 0.00 0.95 0.00 0.00 58.89 59.89 2kbo h TRP 79 Cb 0.50 0.00 0.08 0.00 -0.86 0.00 0.00 29.16 28.88 2kbo h TRP 79 CO -0.07 0.57 -0.85 1.17 -1.05 0.00 0.00 178.44 178.21 2kbo n LYS 80 N -2.98 -1.35 0.00 0.49 4.81 0.13 -5.00 118.16 114.27 2kbo n LYS 80 Ca -0.07 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2kbo n LYS 80 Cb 0.82 -4.30 0.00 0.00 0.02 0.00 0.00 35.03 31.57 2kbo n LYS 80 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kbo n LEU 81 N -3.71 0.00 0.00 3.14 4.32 -1.26 -5.08 117.00 114.41 2kbo n LEU 81 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2kbo n LEU 81 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2kbo n LEU 81 CO 0.65 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.29 2kbo n ASP 82 N 0.00 1.87 -0.09 -1.43 8.00 -1.26 -5.09 116.55 118.55 2kbo n ASP 82 Ca 0.00 -0.53 -0.23 0.00 0.71 0.00 0.00 54.79 54.73 2kbo n ASP 82 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 2kbo n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kbo n LEU 83 N 0.00 2.09 0.27 0.64 0.00 -1.26 -4.06 117.00 114.68 2kbo n LEU 83 Ca 0.00 0.34 0.12 0.00 0.00 0.00 0.00 56.01 56.47 2kbo n LEU 83 Cb 0.00 -0.97 0.55 0.00 0.00 0.00 0.00 43.42 43.00 2kbo n LEU 83 CO 0.00 0.48 1.11 -0.78 0.00 0.00 0.00 177.39 178.19 2kbo h ASP 84 N -0.74 0.00 -4.20 1.96 1.82 -1.98 -3.40 116.42 109.89 2kbo h ASP 84 Ca -0.44 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 55.96 2kbo h ASP 84 Cb 1.53 0.00 0.05 0.00 0.68 0.00 0.00 39.33 41.60 2kbo h ASP 84 CO -0.19 0.00 0.09 0.00 -1.61 0.00 0.00 179.24 177.53 2kbo n GLN 85 N -2.89 0.07 -4.02 0.28 1.13 -1.26 -3.81 117.38 106.88 2kbo n GLN 85 Ca 0.01 -1.37 -0.12 0.00 -1.94 0.00 0.00 57.00 53.58 2kbo n GLN 85 Cb 0.67 -0.42 -0.03 0.00 0.11 0.00 0.00 30.24 30.56 2kbo n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2kbo s ASP 86 N -3.22 0.46 -0.06 1.08 1.01 -1.10 -4.83 116.67 110.01 2kbo s ASP 86 Ca 0.36 -1.27 -0.03 0.00 0.71 0.00 0.00 52.55 52.33 2kbo s ASP 86 Cb -0.02 0.67 0.04 0.00 1.01 0.00 0.00 42.92 44.62 2kbo s ASP 86 CO 0.24 -1.31 0.10 -0.31 0.21 0.00 0.00 175.17 174.10 2kbo s TYR 87 N -3.23 -0.01 -0.76 4.23 2.02 -1.25 0.41 117.35 118.75 2kbo s TYR 87 Ca 0.26 0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 57.20 2kbo s TYR 87 Cb -0.01 -0.42 0.20 0.00 -0.40 0.00 0.00 41.96 41.32 2kbo s TYR 87 CO 0.15 -0.24 0.65 1.03 -1.57 0.00 0.00 175.55 175.57 2kbo s ARG 88 N 2.21 3.23 0.29 -0.62 0.52 -0.63 -2.70 118.95 121.25 2kbo s ARG 88 Ca 0.04 -2.50 -0.14 0.00 -0.52 0.00 0.00 55.73 52.61 2kbo s ARG 88 Cb -0.12 -4.17 -0.09 0.00 0.52 0.00 0.00 34.95 31.09 2kbo s ARG 88 CO -0.04 -1.25 0.69 0.08 0.02 0.00 0.00 175.30 174.80 2kbo s VAL 89 N 0.06 4.72 -0.10 3.52 1.01 0.27 -2.01 120.40 127.88 2kbo s VAL 89 Ca 0.18 0.88 -0.03 0.00 0.00 0.00 0.00 61.98 63.00 2kbo s VAL 89 Cb -0.14 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.65 2kbo s VAL 89 CO -0.07 -0.13 0.05 -0.89 0.00 0.00 0.00 175.10 174.07 2kbo s THR 90 N -1.91 0.05 -0.21 3.92 2.01 0.33 -1.54 115.64 118.29 2kbo s THR 90 Ca 0.52 0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.56 2kbo s THR 90 Cb -0.11 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 2kbo s THR 90 CO 0.18 0.03 0.06 0.00 -0.69 0.00 0.00 174.62 174.20 2kbo s PHE 92 N 0.98 3.45 -0.15 0.00 0.08 0.13 -1.07 117.98 121.41 2kbo s PHE 92 Ca 0.04 -1.96 -0.05 0.00 0.12 0.00 0.00 56.93 55.07 2kbo s PHE 92 Cb -0.14 -3.43 0.07 0.00 -0.57 0.00 0.00 43.02 38.96 2kbo s PHE 92 CO 0.03 -0.99 0.28 0.99 -0.10 0.00 0.00 175.22 175.44 2kbo s THR 93 N 1.32 -0.45 -1.35 0.64 2.01 -0.88 0.42 115.64 117.36 2kbo s THR 93 Ca 0.06 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.28 2kbo s THR 93 Cb -0.25 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 71.75 2kbo s THR 93 CO -0.01 0.07 0.33 -0.24 -0.69 0.00 0.00 174.62 174.08 2kbo n SER 94 N 5.35 0.00 -4.31 3.53 2.88 -1.26 -3.74 113.62 116.08 2kbo n SER 94 Ca -0.06 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.18 2kbo n SER 94 Cb 0.50 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.80 2kbo n SER 94 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2kbo s TRP 95 N -1.67 2.25 0.09 0.66 -0.00 -1.26 -2.44 118.94 116.58 2kbo s TRP 95 Ca 0.00 -0.42 -0.01 0.00 -0.00 0.00 0.00 56.10 55.67 2kbo s TRP 95 Cb 0.00 -1.41 0.02 0.00 -0.00 0.00 0.00 33.47 32.08 2kbo s TRP 95 CO 0.00 0.01 0.13 -1.13 -0.00 0.00 0.00 176.95 175.96 2kbo n SER 96 N 2.26 0.08 -0.83 5.86 3.41 -1.26 -4.77 113.62 118.37 2kbo n SER 96 Ca -0.16 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 2kbo n SER 96 Cb 0.52 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2kbo n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2kbo n PRO 97 N -1.25 3.62 -3.69 4.33 -0.04 -1.26 -5.00 135.00 131.70 2kbo n PRO 97 Ca 0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 2kbo n PRO 97 Cb 0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.48 2kbo n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kbo n PHE 99 N -0.28 -0.21 -0.05 0.00 -1.74 -1.26 -0.31 117.46 113.60 2kbo n PHE 99 Ca -0.13 0.95 -0.04 0.00 -0.56 0.00 0.00 57.45 57.67 2kbo n PHE 99 Cb 0.63 -0.64 -0.01 0.00 1.52 0.00 0.00 39.48 40.98 2kbo n PHE 99 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2kbo n SER 100 N -5.01 1.27 -0.23 5.98 2.88 -1.26 -2.27 113.62 114.98 2kbo n SER 100 Ca 0.04 0.39 0.26 0.00 -1.33 0.00 0.00 58.87 58.23 2kbo n SER 100 Cb 0.23 -0.71 0.40 0.00 -0.75 0.00 0.00 64.21 63.38 2kbo n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbo h ALA 102 N 0.49 0.04 0.01 0.00 0.00 -0.84 -2.92 119.26 116.04 2kbo h ALA 102 Ca 0.46 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2kbo h ALA 102 Cb 2.60 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 20.33 2kbo h ALA 102 CO -0.00 -0.11 -0.51 1.96 0.00 0.00 0.00 179.25 180.58 2kbo h GLN 103 N -0.47 -0.64 -0.48 0.00 4.20 0.57 0.67 115.11 118.96 2kbo h GLN 103 Ca -0.00 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.80 2kbo h GLN 103 Cb 0.66 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.53 2kbo h GLN 103 CO 0.01 -0.43 -0.28 0.39 -0.67 0.00 0.00 178.83 177.85 2kbo n GLU 104 N -5.47 -0.21 0.08 1.46 -0.58 -0.86 0.50 120.64 115.55 2kbo n GLU 104 Ca -0.07 0.95 -0.04 0.00 -0.42 0.00 0.00 57.16 57.57 2kbo n GLU 104 Cb 0.40 -1.40 -0.02 0.00 -0.57 0.00 0.00 31.44 29.84 2kbo n GLU 104 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2kbo h MET 105 N 0.00 -0.24 -0.60 3.49 4.05 -1.13 -2.72 114.93 117.78 2kbo h MET 105 Ca 0.08 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.61 2kbo h MET 105 Cb 0.20 0.06 -0.10 0.00 -0.80 0.00 0.00 31.60 30.95 2kbo h MET 105 CO -0.45 -0.16 -0.22 0.00 0.23 0.00 0.00 176.91 176.30 2kbo n ALA 106 N -2.37 -0.05 -0.13 0.39 0.00 0.23 -0.25 120.51 118.33 2kbo n ALA 106 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2kbo n ALA 106 Cb 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2kbo n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kbo n LYS 107 N -4.89 0.00 -0.54 0.00 5.02 0.18 0.30 118.16 118.24 2kbo n LYS 107 Ca 0.06 0.75 0.41 0.00 -2.02 0.00 0.00 58.31 57.51 2kbo n LYS 107 Cb 0.25 -1.44 0.63 0.00 -0.02 0.00 0.00 35.03 34.44 2kbo n LYS 107 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2kbo n PHE 108 N -2.40 0.00 0.00 2.13 3.01 0.66 0.13 117.46 120.99 2kbo n PHE 108 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2kbo n PHE 108 Cb 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 2kbo n PHE 108 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2kbo n ILE 109 N -3.46 0.00 -0.33 4.37 -0.00 0.20 -3.37 119.36 116.78 2kbo n ILE 109 Ca 0.34 0.46 0.20 0.00 -0.00 0.00 0.00 62.75 63.74 2kbo n ILE 109 Cb 1.56 -1.41 0.41 0.00 -0.00 0.00 0.00 39.64 40.20 2kbo n ILE 109 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2kbo h SER 110 N 0.00 0.42 -0.34 4.38 4.64 0.61 1.22 113.55 124.48 2kbo h SER 110 Ca 0.00 0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.44 2kbo h SER 110 Cb 0.00 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2kbo h SER 110 CO 0.00 -0.09 0.01 0.11 -0.87 0.00 0.00 176.83 175.99 2kbo h LYS 111 N 0.35 0.70 -2.24 4.77 1.79 0.88 -3.37 116.57 119.45 2kbo h LYS 111 Ca 0.67 -0.17 -0.50 0.00 -2.18 0.00 0.00 60.65 58.47 2kbo h LYS 111 Cb 1.44 -0.09 -0.35 0.00 -1.58 0.00 0.00 32.23 31.65 2kbo h LYS 111 CO -0.59 0.71 -0.83 -0.80 -1.08 0.00 0.00 179.45 176.86 2kbo s ASN 112 N -6.67 1.69 0.06 0.86 0.01 0.40 -4.96 114.94 106.33 2kbo s ASN 112 Ca -0.09 -2.29 0.02 0.00 -0.71 0.00 0.00 52.86 49.78 2kbo s ASN 112 Cb 0.15 -0.00 0.09 0.00 0.41 0.00 0.00 41.25 41.89 2kbo s ASN 112 CO 0.79 -0.23 0.76 0.29 -1.51 0.00 0.00 177.10 177.21 2kbo n LYS 113 N 3.62 0.01 0.00 -0.60 4.76 0.16 -2.24 118.16 123.87 2kbo n LYS 113 Ca 0.18 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 2kbo n LYS 113 Cb 0.44 -1.88 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 2kbo n LYS 113 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2kbo n HIS 114 N -1.33 0.00 -4.38 2.13 -0.00 -1.26 -4.39 115.22 105.99 2kbo n HIS 114 Ca -0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 2kbo n HIS 114 Cb 0.35 -0.08 -0.11 0.00 -0.12 0.00 0.00 29.99 30.02 2kbo n HIS 114 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2kbo s VAL 115 N -1.82 2.89 -0.25 3.57 1.01 -0.95 -3.94 120.40 120.90 2kbo s VAL 115 Ca 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 61.98 60.54 2kbo s VAL 115 Cb 0.00 -2.30 0.08 0.00 0.00 0.00 0.00 36.38 34.16 2kbo s VAL 115 CO 0.00 0.16 0.09 -0.44 0.00 0.00 0.00 175.10 174.91 2kbo s SER 116 N -1.99 3.33 -0.12 3.32 0.01 -1.10 -4.95 113.70 112.21 2kbo s SER 116 Ca 0.17 -1.16 -0.09 0.00 1.31 0.00 0.00 55.95 56.18 2kbo s SER 116 Cb -0.11 -0.51 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 2kbo s SER 116 CO 0.09 -0.39 0.19 -0.76 0.41 0.00 0.00 173.24 172.78 2kbo s LEU 117 N 1.93 4.37 -0.46 2.44 2.01 -1.26 -0.56 118.68 127.15 2kbo s LEU 117 Ca 0.06 0.51 0.03 0.00 0.01 0.00 0.00 54.13 54.74 2kbo s LEU 117 Cb -0.17 -2.17 0.13 0.00 0.01 0.00 0.00 46.19 43.99 2kbo s LEU 117 CO -0.23 0.34 0.23 0.00 1.01 0.00 0.00 176.35 177.70 2kbo s ILE 119 N 0.16 5.10 -0.38 0.00 1.01 0.78 -1.65 121.20 126.20 2kbo s ILE 119 Ca 0.16 1.26 -0.03 0.00 0.00 0.00 0.00 60.65 62.05 2kbo s ILE 119 Cb -0.24 -3.96 0.09 0.00 0.01 0.00 0.00 42.46 38.36 2kbo s ILE 119 CO -0.02 0.27 0.16 -0.36 0.00 0.00 0.00 174.94 175.00 2kbo s PHE 120 N 0.76 3.51 -0.08 3.97 0.08 -0.23 0.66 117.98 126.66 2kbo s PHE 120 Ca 0.33 -2.26 0.04 0.00 0.12 0.00 0.00 56.93 55.16 2kbo s PHE 120 Cb -0.17 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 2kbo s PHE 120 CO 0.15 -0.93 -0.21 -0.08 -0.10 0.00 0.00 175.22 174.05 2kbo s THR 121 N 1.17 1.82 -0.02 0.64 -1.32 0.29 -2.08 115.64 116.14 2kbo s THR 121 Ca 0.05 -0.89 -0.19 0.00 -1.21 0.00 0.00 61.69 59.45 2kbo s THR 121 Cb -0.22 -1.58 -0.11 0.00 -1.51 0.00 0.00 72.50 69.08 2kbo s THR 121 CO -0.03 0.51 0.80 0.00 -2.21 0.00 0.00 174.62 173.69 2kbo h ALA 122 N 6.63 -0.61 -2.19 11.08 0.00 -1.70 0.21 119.26 132.68 2kbo h ALA 122 Ca -0.24 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.59 2kbo h ALA 122 Cb 1.21 0.24 -0.17 0.00 0.00 0.00 0.00 17.79 19.07 2kbo h ALA 122 CO 0.47 -0.58 0.46 0.50 0.00 0.00 0.00 179.25 180.09 2kbo s ARG 123 N -3.74 0.84 -0.26 0.00 3.00 -1.02 -4.33 118.95 113.44 2kbo s ARG 123 Ca -0.10 -0.19 -0.03 0.00 -1.00 0.00 0.00 55.73 54.41 2kbo s ARG 123 Cb 0.01 0.39 0.08 0.00 0.00 0.00 0.00 34.95 35.43 2kbo s ARG 123 CO 0.32 -0.34 0.09 0.96 0.00 0.00 0.00 175.30 176.33 2kbo s ILE 124 N -2.64 0.38 -1.14 4.11 -4.36 -1.26 -4.48 121.20 111.81 2kbo s ILE 124 Ca 0.02 -0.83 -0.17 0.00 -0.26 0.00 0.00 60.65 59.41 2kbo s ILE 124 Cb -0.01 -1.16 0.13 0.00 1.25 0.00 0.00 42.46 42.67 2kbo s ILE 124 CO -0.06 -0.52 1.42 -0.31 0.24 0.00 0.00 174.94 175.72 2kbo s TYR 125 N 1.89 3.15 -0.02 1.37 1.51 -1.26 -4.75 117.35 119.24 2kbo s TYR 125 Ca 0.06 -1.70 0.05 0.00 -1.01 0.00 0.00 57.07 54.47 2kbo s TYR 125 Cb -0.17 -4.44 -0.01 0.00 -0.11 0.00 0.00 41.96 37.23 2kbo s TYR 125 CO -0.22 -1.56 -0.18 -0.51 -1.11 0.00 0.00 175.55 171.96 2kbo s ASP 126 N 3.56 2.14 -0.14 2.29 1.11 -1.26 -5.02 116.67 119.35 2kbo s ASP 126 Ca 0.43 -0.33 0.17 0.00 0.18 0.00 0.00 52.55 53.00 2kbo s ASP 126 Cb -0.02 -0.30 0.74 0.00 1.07 0.00 0.00 42.92 44.42 2kbo s ASP 126 CO -0.02 0.21 1.65 -0.90 1.18 0.00 0.00 175.17 177.30 2kbo n ASP 127 N 2.71 4.94 0.00 0.27 5.75 -1.26 -4.63 116.55 124.33 2kbo n ASP 127 Ca -0.15 -2.55 0.00 0.00 -0.01 0.00 0.00 54.79 52.07 2kbo n ASP 127 Cb 0.54 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2kbo n ASP 127 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kbo n GLN 128 N 0.99 0.00 0.00 0.11 1.13 -1.26 -4.89 117.38 113.45 2kbo n GLN 128 Ca 0.26 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 2kbo n GLN 128 Cb 0.95 -0.92 0.00 0.00 0.11 0.00 0.00 30.24 30.38 2kbo n GLN 128 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kbo n GLY 129 N 0.69 2.02 0.05 1.08 0.00 -1.26 -4.66 105.19 103.11 2kbo n GLY 129 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.76 2kbo n GLY 129 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kbo n ARG 130 N 0.00 0.03 0.00 1.61 1.85 -1.26 -0.81 116.66 118.08 2kbo n ARG 130 Ca 0.00 0.38 0.01 0.00 -1.00 0.00 0.00 57.85 57.24 2kbo n ARG 130 Cb 0.00 -1.83 0.06 0.00 -1.05 0.00 0.00 32.46 29.64 2kbo n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kbo h GLN 132 N 0.00 0.00 0.00 0.00 3.07 -1.34 -2.15 115.11 114.70 2kbo h GLN 132 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2kbo h GLN 132 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 2kbo h GLN 132 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 178.83 178.07 2kbo n GLU 133 N -3.37 0.00 0.04 0.06 0.28 -1.12 -1.17 120.64 115.35 2kbo n GLU 133 Ca 0.04 0.64 -0.13 0.00 -0.16 0.00 0.00 57.16 57.56 2kbo n GLU 133 Cb 0.56 -1.46 -0.09 0.00 1.43 0.00 0.00 31.44 31.88 2kbo n GLU 133 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2kbo h GLY 134 N 0.00 -0.11 -0.20 -1.84 0.00 -1.25 -2.55 103.07 97.12 2kbo h GLY 134 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.39 2kbo h GLY 134 CO 0.00 -0.04 -0.12 -0.10 0.00 0.00 0.00 176.54 176.28 2kbo n LEU 135 N -4.96 -0.21 0.04 3.11 0.00 -0.82 0.92 117.00 115.08 2kbo n LEU 135 Ca -0.08 1.10 0.16 0.00 0.00 0.00 0.00 56.01 57.19 2kbo n LEU 135 Cb 0.22 -0.42 0.65 0.00 0.00 0.00 0.00 43.42 43.87 2kbo n LEU 135 CO 0.32 -0.66 1.16 -0.09 0.00 0.00 0.00 177.39 178.12 2kbo h ARG 136 N 0.00 0.07 0.12 1.96 1.12 -1.23 0.59 114.38 117.01 2kbo h ARG 136 Ca 0.03 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.89 2kbo h ARG 136 Cb 0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 2kbo h ARG 136 CO -0.19 0.04 -0.06 1.15 -3.11 0.00 0.00 179.97 177.81 2kbo h THR 137 N 0.07 0.75 0.00 0.20 2.02 0.92 -2.04 112.91 114.84 2kbo h THR 137 Ca 0.21 -1.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 2kbo h THR 137 Cb 0.74 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 2kbo h THR 137 CO -0.02 0.22 -0.25 0.17 0.37 0.00 0.00 175.52 176.02 2kbo h LEU 138 N -0.94 0.00 -0.20 2.58 -0.00 0.72 1.91 115.31 119.38 2kbo h LEU 138 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.64 2kbo h LEU 138 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2kbo h LEU 138 CO 0.03 0.25 -0.91 0.00 -0.00 0.00 0.00 178.44 177.81 2kbo h ALA 139 N 1.75 0.39 0.06 0.17 0.00 -0.98 0.55 119.26 121.21 2kbo h ALA 139 Ca -0.00 -0.69 -0.37 0.00 0.00 0.00 0.00 54.91 53.84 2kbo h ALA 139 Cb 0.69 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2kbo h ALA 139 CO 0.03 0.80 -2.21 0.39 0.00 0.00 0.00 179.25 178.27 2kbo n GLU 140 N -3.76 0.70 0.14 0.00 -0.58 -0.76 -3.75 120.64 112.63 2kbo n GLU 140 Ca -0.06 0.20 0.19 0.00 -0.42 0.00 0.00 57.16 57.07 2kbo n GLU 140 Cb 0.81 -1.62 0.77 0.00 -0.57 0.00 0.00 31.44 30.83 2kbo n GLU 140 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kbo h ALA 141 N 0.17 1.97 0.00 0.62 0.00 0.29 -3.42 119.26 118.88 2kbo h ALA 141 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kbo h ALA 141 Cb 1.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2kbo h ALA 141 CO 0.01 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.13 2kbo n GLY 142 N -1.44 0.00 3.67 0.00 0.00 -1.22 -4.11 105.19 102.09 2kbo n GLY 142 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2kbo n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbo s ALA 143 N 0.00 3.53 -0.41 4.61 0.00 0.19 -4.19 121.76 125.50 2kbo s ALA 143 Ca 0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 51.96 51.37 2kbo s ALA 143 Cb 0.00 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.36 2kbo s ALA 143 CO 0.00 -0.37 0.65 0.15 0.00 0.00 0.00 175.76 176.19 2kbo s LYS 144 N 1.47 3.43 -0.00 0.00 1.02 0.19 -4.06 119.74 121.79 2kbo s LYS 144 Ca 0.24 -0.20 -0.06 0.00 0.02 0.00 0.00 55.97 55.96 2kbo s LYS 144 Cb -0.15 -3.90 -0.05 0.00 -0.52 0.00 0.00 37.83 33.21 2kbo s LYS 144 CO 0.10 -0.92 0.25 0.42 -0.92 0.00 0.00 175.35 174.28 2kbo s ILE 145 N 2.81 5.33 -0.03 2.17 -1.09 -1.26 -0.16 121.20 128.96 2kbo s ILE 145 Ca 0.24 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.82 2kbo s ILE 145 Cb -0.14 -3.55 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2kbo s ILE 145 CO 0.18 0.38 -0.05 -0.94 -1.23 0.00 0.00 174.94 173.29 2kbo s SER 146 N -1.66 0.84 -0.58 3.58 1.04 0.21 -4.92 113.70 112.21 2kbo s SER 146 Ca 0.26 -0.12 -0.25 0.00 0.48 0.00 0.00 55.95 56.33 2kbo s SER 146 Cb -0.13 -0.35 0.04 0.00 0.10 0.00 0.00 66.02 65.68 2kbo s SER 146 CO 0.15 -0.03 1.01 -0.63 0.98 0.00 0.00 173.24 174.73 2kbo s ILE 147 N 0.67 4.26 -0.61 -1.02 1.09 -1.26 -0.55 121.20 123.78 2kbo s ILE 147 Ca -0.09 0.32 -0.27 0.00 -1.10 0.00 0.00 60.65 59.52 2kbo s ILE 147 Cb -0.12 -4.62 -0.01 0.00 -1.06 0.00 0.00 42.46 36.65 2kbo s ILE 147 CO 0.00 -1.25 1.74 -0.32 -0.10 0.00 0.00 174.94 175.01 2kbo s MET 148 N 4.27 2.79 0.56 2.79 1.75 0.75 -4.93 119.30 127.29 2kbo s MET 148 Ca 0.32 0.51 0.05 0.00 -1.25 0.00 0.00 55.69 55.32 2kbo s MET 148 Cb -0.12 -4.33 0.07 0.00 2.84 0.00 0.00 34.83 33.29 2kbo s MET 148 CO 0.19 -2.55 0.78 0.95 -0.65 0.00 0.00 175.02 173.74 2kbo s THR 149 N 8.28 2.47 0.10 10.11 -4.23 -1.26 -4.43 115.64 126.68 2kbo s THR 149 Ca 0.62 -0.83 -0.19 0.00 -1.18 0.00 0.00 61.69 60.11 2kbo s THR 149 Cb -0.12 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 2kbo s THR 149 CO 0.21 0.00 0.95 0.00 -0.54 0.00 0.00 174.62 175.24 2kbo n TYR 150 N -2.30 -0.25 0.13 3.99 4.11 -1.26 0.22 117.16 121.79 2kbo n TYR 150 Ca 0.12 0.77 -0.10 0.00 -0.00 0.00 0.00 57.90 58.69 2kbo n TYR 150 Cb 0.60 -0.56 -0.06 0.00 -0.00 0.00 0.00 39.34 39.32 2kbo n TYR 150 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2kbo h SER 151 N 0.00 -0.86 0.00 9.48 4.64 -1.99 0.72 113.55 125.54 2kbo h SER 151 Ca 0.11 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2kbo h SER 151 Cb 0.26 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2kbo h SER 151 CO -0.58 -0.36 0.27 -0.33 -0.87 0.00 0.00 176.83 174.95 2kbo h GLU 152 N -0.52 0.00 0.66 4.77 4.39 -0.98 -1.37 114.58 121.53 2kbo h GLU 152 Ca -0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 2kbo h GLU 152 Cb 0.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2kbo h GLU 152 CO -0.09 0.00 -0.32 0.35 -1.16 0.00 0.00 179.01 177.79 2kbo h PHE 153 N 0.00 -0.83 -0.38 4.33 3.57 0.50 0.35 116.94 124.49 2kbo h PHE 153 Ca 0.00 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.59 2kbo h PHE 153 Cb 0.54 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2kbo h PHE 153 CO 0.00 -0.51 0.40 0.87 -2.23 0.00 0.00 178.31 176.84 2kbo h LYS 154 N -1.05 0.00 -0.01 1.11 1.79 -0.79 0.19 116.57 117.81 2kbo h LYS 154 Ca -0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2kbo h LYS 154 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2kbo h LYS 154 CO 0.15 0.00 -0.04 1.25 -1.08 0.00 0.00 179.45 179.73 2kbo h HIS 155 N 0.00 0.06 -0.37 -1.35 2.76 -0.96 -0.62 115.15 114.67 2kbo h HIS 155 Ca 0.18 -0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.43 2kbo h HIS 155 Cb 0.98 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 2kbo h HIS 155 CO 0.00 0.67 0.52 0.00 -1.30 0.00 0.00 177.93 177.82 2kbo h TRP 157 N 0.00 0.00 0.00 0.00 6.55 -1.10 -3.22 115.95 118.18 2kbo h TRP 157 Ca 0.17 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.01 2kbo h TRP 157 Cb 1.21 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.51 2kbo h TRP 157 CO 0.00 0.00 0.16 -3.47 -1.05 0.00 0.00 178.44 174.08 2kbo n ASP 158 N -4.28 0.00 -0.11 -3.49 -0.08 -0.12 -0.64 116.55 107.82 2kbo n ASP 158 Ca -0.01 0.20 -0.21 0.00 -1.51 0.00 0.00 54.79 53.26 2kbo n ASP 158 Cb 0.03 -0.20 -0.09 0.00 2.34 0.00 0.00 41.12 43.20 2kbo n ASP 158 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2kbo n THR 159 N -1.14 1.52 0.00 5.18 -1.04 0.81 -4.85 114.28 114.76 2kbo n THR 159 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2kbo n THR 159 Cb 0.16 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 2kbo n THR 159 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2kbo n PHE 160 N -4.39 0.00 -1.89 -1.42 -1.74 -0.81 -5.03 117.46 102.18 2kbo n PHE 160 Ca -0.35 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.11 2kbo n PHE 160 Cb 0.69 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.66 2kbo n PHE 160 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2kbo s VAL 161 N -1.67 2.93 0.00 1.97 1.01 0.18 -4.81 120.40 120.01 2kbo s VAL 161 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2kbo s VAL 161 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2kbo s VAL 161 CO 0.00 0.00 0.64 -0.67 0.00 0.00 0.00 175.10 175.07 2kbo n ASP 162 N 5.50 1.85 -2.76 3.32 2.03 -1.26 -3.22 116.55 122.02 2kbo n ASP 162 Ca 0.16 -1.20 -0.09 0.00 0.52 0.00 0.00 54.79 54.18 2kbo n ASP 162 Cb 0.40 -0.34 0.06 0.00 -0.72 0.00 0.00 41.12 40.53 2kbo n ASP 162 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kbo n HIS 163 N 0.95 -3.09 0.17 -0.67 -0.00 -1.26 -4.97 115.22 106.35 2kbo n HIS 163 Ca 0.00 -1.95 0.01 0.00 -0.00 0.00 0.00 57.72 55.78 2kbo n HIS 163 Cb 0.26 1.54 0.06 0.00 -0.00 0.00 0.00 29.99 31.85 2kbo n HIS 163 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2kbo h GLN 164 N 3.61 0.00 -0.67 -0.41 4.20 -1.81 2.11 115.11 122.14 2kbo h GLN 164 Ca -0.12 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.12 2kbo h GLN 164 Cb 1.05 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 28.41 2kbo h GLN 164 CO 0.26 0.00 -0.90 0.41 -0.67 0.00 0.00 178.83 177.93 2kbo n GLY 165 N -1.26 5.13 3.48 3.46 0.00 -1.26 -4.47 105.19 110.28 2kbo n GLY 165 Ca -0.00 -2.23 -0.44 0.00 0.00 0.00 0.00 46.02 43.35 2kbo n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbo n PRO 167 N 0.73 0.27 -2.71 0.00 -0.04 -1.26 -4.73 135.00 127.26 2kbo n PRO 167 Ca 0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.29 2kbo n PRO 167 Cb 0.34 -1.00 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 2kbo n PRO 167 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2kbo s PHE 168 N -1.97 3.51 0.07 0.54 5.36 -1.26 -5.10 117.98 119.13 2kbo s PHE 168 Ca 0.00 0.98 0.00 0.00 -0.96 0.00 0.00 56.93 56.96 2kbo s PHE 168 Cb 0.00 -2.42 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 2kbo s PHE 168 CO 0.00 -0.21 -0.04 -0.65 -1.46 0.00 0.00 175.22 172.86 2kbo s GLN 169 N -4.26 0.69 0.28 10.12 -0.21 -1.26 -5.12 119.66 119.91 2kbo s GLN 169 Ca 0.50 -1.24 -0.28 0.00 0.02 0.00 0.00 55.36 54.35 2kbo s GLN 169 Cb -0.10 0.04 -0.09 0.00 1.00 0.00 0.00 33.01 33.85 2kbo s GLN 169 CO 0.38 -0.07 1.00 -1.25 -2.12 0.00 0.00 175.29 173.22 2kbo s PRO 170 N -3.80 4.67 0.06 2.91 0.04 -1.26 -5.06 135.00 132.56 2kbo s PRO 170 Ca 0.08 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.68 2kbo s PRO 170 Cb 0.06 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 2kbo s PRO 170 CO -0.08 0.32 0.14 1.67 0.04 0.00 0.00 177.00 179.09 2kbo s TRP 171 N -1.31 3.37 0.00 0.56 -2.14 -1.26 -4.96 118.94 113.19 2kbo s TRP 171 Ca 0.46 0.18 0.00 0.00 2.66 0.00 0.00 56.10 59.40 2kbo s TRP 171 Cb -0.26 -1.71 0.00 0.00 -3.10 0.00 0.00 33.47 28.41 2kbo s TRP 171 CO 0.32 0.56 0.53 -3.47 -2.66 0.00 0.00 176.95 172.24 2kbo n ASP 172 N 0.48 1.48 -0.01 -2.66 2.03 -1.26 -2.16 116.55 114.45 2kbo n ASP 172 Ca -0.08 -1.14 -0.01 0.00 0.52 0.00 0.00 54.79 54.09 2kbo n ASP 172 Cb 0.51 -0.29 -0.01 0.00 -0.72 0.00 0.00 41.12 40.61 2kbo n ASP 172 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kbo n GLY 173 N 1.40 -0.07 0.52 0.27 0.00 -1.26 -4.61 105.19 101.45 2kbo n GLY 173 Ca 0.00 -0.02 0.35 0.00 0.00 0.00 0.00 46.02 46.35 2kbo n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kbo n LEU 174 N -2.20 0.00 0.21 0.99 4.77 -0.92 0.89 117.00 120.74 2kbo n LEU 174 Ca -0.03 0.74 -0.08 0.00 -0.03 0.00 0.00 56.01 56.60 2kbo n LEU 174 Cb 0.55 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2kbo n LEU 174 CO 0.03 -0.74 0.46 -2.24 -1.33 0.00 0.00 177.39 173.58 2kbo h ASP 175 N 0.00 -0.45 -0.81 -1.43 2.03 -1.82 0.63 116.42 114.57 2kbo h ASP 175 Ca 0.62 0.02 0.18 0.00 -0.73 0.00 0.00 57.03 57.12 2kbo h ASP 175 Cb 2.82 0.12 -0.15 0.00 -0.83 0.00 0.00 39.33 41.29 2kbo h ASP 175 CO -0.01 -0.30 -0.09 -0.08 -1.03 0.00 0.00 179.24 177.74 2kbo h GLU 176 N -0.57 0.04 -0.91 4.15 4.57 0.20 0.90 114.58 122.95 2kbo h GLU 176 Ca -0.05 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2kbo h GLU 176 Cb 0.41 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 2kbo h GLU 176 CO 0.09 0.03 0.53 0.45 -1.18 0.00 0.00 179.01 178.93 2kbo h HIS 177 N 0.04 1.21 0.45 0.92 3.86 -1.33 -2.64 115.15 117.65 2kbo h HIS 177 Ca 0.43 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.61 2kbo h HIS 177 Cb 0.74 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2kbo h HIS 177 CO -0.53 0.81 -0.21 1.03 0.86 0.00 0.00 177.93 179.89 2kbo h SER 178 N 1.25 -0.51 -0.99 2.45 0.87 0.67 -2.00 113.55 115.30 2kbo h SER 178 Ca 0.32 0.02 0.27 0.00 -1.23 0.00 0.00 61.79 61.17 2kbo h SER 178 Cb -0.03 0.13 -0.19 0.00 -0.44 0.00 0.00 62.40 61.87 2kbo h SER 178 CO -0.06 -0.35 0.01 1.67 -0.53 0.00 0.00 176.83 177.57 2kbo n GLN 179 N -3.65 -0.08 0.15 2.24 7.27 0.04 0.33 117.38 123.67 2kbo n GLN 179 Ca -0.07 1.49 -0.06 0.00 0.07 0.00 0.00 57.00 58.43 2kbo n GLN 179 Cb 0.24 -2.36 -0.03 0.00 2.41 0.00 0.00 30.24 30.50 2kbo n GLN 179 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2kbo h ASP 180 N 0.00 -0.32 0.30 1.69 3.58 -1.37 0.44 116.42 120.75 2kbo h ASP 180 Ca 0.60 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 58.05 2kbo h ASP 180 Cb 1.22 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 2kbo h ASP 180 CO -0.94 -0.21 -0.21 0.25 -2.88 0.00 0.00 179.24 175.25 2kbo h LEU 181 N -0.41 -0.53 0.00 2.28 6.46 -0.68 -2.42 115.31 120.01 2kbo h LEU 181 Ca -0.04 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kbo h LEU 181 Cb 0.29 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2kbo h LEU 181 CO 0.06 -0.33 0.00 -1.54 -0.62 0.00 0.00 178.44 176.02 2kbo n SER 182 N -5.34 0.00 -0.63 1.25 3.41 0.15 0.24 113.62 112.71 2kbo n SER 182 Ca -0.09 0.99 0.48 0.00 -0.26 0.00 0.00 58.87 59.98 2kbo n SER 182 Cb 0.25 -0.49 0.73 0.00 -0.26 0.00 0.00 64.21 64.44 2kbo n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kbo n GLY 183 N -0.99 -0.89 0.09 5.00 0.00 0.15 0.58 105.19 109.13 2kbo n GLY 183 Ca 0.00 0.63 -0.02 0.00 0.00 0.00 0.00 46.02 46.63 2kbo n GLY 183 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kbo h ARG 184 N 0.00 -0.10 -0.99 1.61 2.47 -0.92 -2.31 114.38 114.14 2kbo h ARG 184 Ca 0.85 0.01 0.28 0.00 -1.26 0.00 0.00 59.98 59.85 2kbo h ARG 184 Cb 3.36 0.02 -0.18 0.00 -1.65 0.00 0.00 29.97 31.52 2kbo h ARG 184 CO -0.03 -0.04 0.05 1.25 0.56 0.00 0.00 179.97 181.75 2kbo h LEU 185 N -1.03 -0.45 0.11 3.04 5.85 0.46 1.45 115.31 124.75 2kbo h LEU 185 Ca -0.01 0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2kbo h LEU 185 Cb 0.11 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2kbo h LEU 185 CO 0.02 -0.36 -0.18 0.03 -0.34 0.00 0.00 178.44 177.61 2kbo h ARG 186 N 0.01 -0.30 -0.27 1.25 -0.00 -1.26 -1.77 114.38 112.04 2kbo h ARG 186 Ca 0.61 0.02 0.03 0.00 -0.50 0.00 0.00 59.98 60.14 2kbo h ARG 186 Cb 1.27 0.07 -0.04 0.00 0.00 0.00 0.00 29.97 31.27 2kbo h ARG 186 CO -0.92 -0.20 -0.25 0.00 0.00 0.00 0.00 179.97 178.60 2kbo h ALA 187 N -1.34 -0.41 -0.82 0.04 0.00 0.22 1.20 119.26 118.15 2kbo h ALA 187 Ca -0.01 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.11 2kbo h ALA 187 Cb 0.29 0.99 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 2kbo h ALA 187 CO -0.06 -0.55 0.24 -0.84 0.00 0.00 0.00 179.25 178.04 2kbo h ILE 188 N -0.11 0.44 0.29 0.00 -0.00 0.44 1.53 117.51 120.09 2kbo h ILE 188 Ca 0.05 -0.10 -0.01 0.00 -0.00 0.00 0.00 64.86 64.80 2kbo h ILE 188 Cb 0.23 0.13 0.00 0.00 -0.00 0.00 0.00 36.82 37.19 2kbo h ILE 188 CO -0.32 0.05 -0.14 0.25 -0.00 0.00 0.00 178.15 178.00 2kbo h LEU 189 N 0.28 -0.33 -0.53 0.16 5.85 -0.37 -2.84 115.31 117.54 2kbo h LEU 189 Ca 0.49 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2kbo h LEU 189 Cb 0.91 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2kbo h LEU 189 CO -0.56 0.15 0.00 0.00 -0.34 0.00 0.00 178.44 177.68 2kbo n GLN 190 N -5.05 0.48 -2.51 1.25 1.13 0.41 -4.84 117.38 108.24 2kbo n GLN 190 Ca -0.08 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.92 2kbo n GLN 190 Cb 0.26 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.48 2kbo n GLN 190 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2kbo n ASN 191 N -0.10 -1.09 -4.55 1.08 5.15 0.51 -4.65 115.26 111.62 2kbo n ASN 191 Ca 0.00 -0.18 -0.38 0.00 -0.60 0.00 0.00 54.58 53.43 2kbo n ASN 191 Cb 0.06 -0.35 -0.03 0.00 -0.53 0.00 0.00 39.78 38.93 2kbo n ASN 191 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2kbo s GLN 192 N -2.18 2.44 0.84 1.20 -0.44 -0.74 -4.95 119.66 115.82 2kbo s GLN 192 Ca 0.02 0.87 -0.10 0.00 -2.50 0.00 0.00 55.36 53.65 2kbo s GLN 192 Cb -0.00 -4.46 0.08 0.00 -1.64 0.00 0.00 33.01 26.99 2kbo s GLN 192 CO 0.20 -2.93 0.06 0.39 0.50 0.00 0.00 175.29 173.51 2kbo n GLU 193 N 9.13 -1.34 0.00 1.67 1.02 -1.26 -5.02 120.64 124.83 2kbo n GLU 193 Ca 0.26 -0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2kbo n GLU 193 Cb 0.53 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 2kbo n GLU 193 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58