#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 0.00 0.05 -0.41 0.00 -1.26 -4.94 117.12 110.57 2kbo n MET 2 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.70 57.81 2kbo n MET 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 2kbo n MET 2 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 2kbo n LEU 3 N -1.21 0.61 0.00 -0.89 -0.00 -1.26 -4.65 117.00 109.60 2kbo n LEU 3 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 2kbo n LEU 3 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 2kbo n LEU 3 CO 0.00 -0.06 0.00 -1.14 -0.00 0.00 0.00 177.39 176.19 2kbo n ARG 4 N -2.31 0.00 0.00 1.47 0.63 -1.26 -4.24 116.66 110.95 2kbo n ARG 4 Ca 0.00 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2kbo n ARG 4 Cb 0.50 -0.29 0.00 0.00 0.45 0.00 0.00 32.46 33.13 2kbo n ARG 4 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2kbo n HIS 5 N -1.55 0.00 0.00 -0.14 -0.00 -1.26 -4.10 115.22 108.18 2kbo n HIS 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kbo n HIS 5 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2kbo n HIS 5 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2kbo n SER 6 N 0.36 0.00 0.00 0.26 3.41 -1.26 -5.11 113.62 111.28 2kbo n SER 6 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kbo n SER 6 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kbo n SER 6 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2kbo n MET 7 N 0.00 0.00 -3.82 4.33 2.81 -1.26 -4.91 117.12 114.27 2kbo n MET 7 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 2kbo n MET 7 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.40 2kbo n MET 7 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2kbo n ASP 8 N 0.00 3.29 -0.33 7.83 2.03 -1.26 -4.87 116.55 123.24 2kbo n ASP 8 Ca 0.00 -3.22 0.03 0.00 0.52 0.00 0.00 54.79 52.12 2kbo n ASP 8 Cb 0.00 -0.80 0.10 0.00 -0.72 0.00 0.00 41.12 39.70 2kbo n ASP 8 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2kbo h PRO 9 N 5.38 -0.01 -0.30 -0.67 0.11 -1.78 0.41 132.00 135.14 2kbo h PRO 9 Ca 0.16 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.35 2kbo h PRO 9 Cb 0.75 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 2kbo h PRO 9 CO 0.75 -0.01 0.64 -1.00 -0.21 0.00 0.00 178.00 178.18 2kbo h PRO 10 N -0.01 0.00 0.00 1.05 0.13 -1.93 0.75 132.00 131.99 2kbo h PRO 10 Ca 0.41 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.47 2kbo h PRO 10 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2kbo h PRO 10 CO -0.93 0.00 -0.32 0.00 -0.23 0.00 0.00 178.00 176.51 2kbo h THR 11 N 0.00 0.76 0.03 1.56 1.03 -0.60 -2.97 112.91 112.71 2kbo h THR 11 Ca 0.14 -1.40 -0.28 0.00 -0.01 0.00 0.00 66.41 64.86 2kbo h THR 11 Cb 1.43 1.89 -0.03 0.00 -1.07 0.00 0.00 68.15 70.36 2kbo h THR 11 CO -0.00 0.32 -1.55 0.33 -0.01 0.00 0.00 175.52 174.61 2kbo n PHE 12 N -3.47 0.97 -0.33 0.00 -0.00 0.26 -4.26 117.46 110.63 2kbo n PHE 12 Ca 0.00 0.36 0.12 0.00 -0.00 0.00 0.00 57.45 57.93 2kbo n PHE 12 Cb 0.49 -1.11 0.30 0.00 -0.00 0.00 0.00 39.48 39.16 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 -0.75 0.68 -0.70 -2.13 1.35 -1.53 -0.18 112.91 109.65 2kbo h THR 13 Ca -0.40 -0.23 0.13 0.00 -0.55 0.00 0.00 66.41 65.36 2kbo h THR 13 Cb 1.50 -0.06 -0.09 0.00 -1.73 0.00 0.00 68.15 67.76 2kbo h THR 13 CO -0.16 0.12 0.22 0.15 -0.25 0.00 0.00 175.52 175.61 2kbo h PHE 14 N 0.68 0.37 0.00 4.73 3.57 -1.70 -3.44 116.94 121.15 2kbo h PHE 14 Ca 0.55 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.09 2kbo h PHE 14 Cb 0.87 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2kbo h PHE 14 CO -0.04 0.01 0.00 0.09 -2.23 0.00 0.00 178.31 176.14 2kbo n ASN 15 N -5.07 0.00 -2.02 0.41 5.03 -0.08 -4.63 115.26 108.90 2kbo n ASN 15 Ca 0.12 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.50 2kbo n ASN 15 Cb 0.39 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.05 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 0.00 -1.53 3.10 7.35 -1.26 -4.90 117.46 120.22 2kbo n PHE 16 Ca 0.00 -1.02 -0.64 0.00 -0.76 0.00 0.00 57.45 55.03 2kbo n PHE 16 Cb 0.00 -1.09 -0.11 0.00 0.35 0.00 0.00 39.48 38.63 2kbo n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2kbo n ASN 17 N 2.41 1.01 -0.14 -2.13 2.85 -1.26 -4.69 115.26 113.31 2kbo n ASN 17 Ca 0.25 0.97 0.00 0.00 -0.11 0.00 0.00 54.58 55.69 2kbo n ASN 17 Cb 0.61 -0.88 0.00 0.00 1.24 0.00 0.00 39.78 40.75 2kbo n ASN 17 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2kbo n ASN 18 N 5.38 0.12 -3.67 1.20 2.85 -1.26 -4.84 115.26 115.04 2kbo n ASN 18 Ca 0.40 -0.86 -0.25 0.00 -0.11 0.00 0.00 54.58 53.76 2kbo n ASN 18 Cb -0.05 -0.06 0.01 0.00 1.24 0.00 0.00 39.78 40.91 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 -0.28 -1.50 -2.67 1.20 1.02 -1.26 -4.88 120.64 112.27 2kbo n GLU 19 Ca 0.00 0.78 -0.34 0.00 -0.02 0.00 0.00 57.16 57.58 2kbo n GLU 19 Cb 0.03 -2.04 -0.05 0.00 -0.02 0.00 0.00 31.44 29.36 2kbo n GLU 19 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2kbo s PRO 20 N -4.44 4.07 0.02 3.49 0.04 -1.26 -5.06 135.00 131.86 2kbo s PRO 20 Ca 0.05 1.29 -0.02 0.00 0.04 0.00 0.00 61.00 62.36 2kbo s PRO 20 Cb -0.01 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2kbo s PRO 20 CO 0.84 -0.19 0.21 -1.58 0.04 0.00 0.00 177.00 176.32 2kbo s TRP 21 N -1.99 3.54 -1.20 0.56 0.52 -1.26 -4.99 118.94 114.12 2kbo s TRP 21 Ca 0.63 0.35 -0.13 0.00 0.02 0.00 0.00 56.10 56.96 2kbo s TRP 21 Cb -0.14 -1.83 -0.06 0.00 -1.15 0.00 0.00 33.47 30.29 2kbo s TRP 21 CO 0.19 0.61 2.29 0.28 0.02 0.00 0.00 176.95 180.35 2kbo n VAL 22 N 0.69 3.01 -2.86 4.03 0.31 -1.26 -4.50 118.33 117.75 2kbo n VAL 22 Ca -0.08 -2.20 0.02 0.00 -0.01 0.00 0.00 64.34 62.07 2kbo n VAL 22 Cb 0.52 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 2kbo n VAL 22 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2kbo s ARG 23 N 3.47 0.24 0.43 5.55 3.52 -1.26 -4.84 118.95 126.05 2kbo s ARG 23 Ca 0.53 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 56.11 2kbo s ARG 23 Cb 0.14 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.54 2kbo s ARG 23 CO -0.02 -0.36 0.09 0.20 -0.81 0.00 0.00 175.30 174.40 2kbo s GLY 24 N 2.06 2.66 -0.96 8.12 0.00 -1.26 -5.02 107.32 112.92 2kbo s GLY 24 Ca 0.16 -1.14 -0.25 0.00 0.00 0.00 0.00 44.72 43.49 2kbo s GLY 24 CO -0.15 -1.93 2.53 -2.13 0.00 0.00 0.00 173.10 171.42 2kbo n ARG 25 N -0.98 0.08 0.00 2.90 0.63 -1.26 -4.06 116.66 113.97 2kbo n ARG 25 Ca -0.09 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 2kbo n ARG 25 Cb 0.66 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 32.03 2kbo n ARG 25 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2kbo n HIS 26 N 9.68 0.00 -2.30 -0.14 8.25 -1.26 -4.60 115.22 124.85 2kbo n HIS 26 Ca 0.64 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.76 2kbo n HIS 26 Cb 0.10 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.21 2kbo n HIS 26 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2kbo s GLU 27 N 0.00 3.44 0.00 -0.41 0.41 -1.26 -4.91 118.70 115.97 2kbo s GLU 27 Ca 0.00 1.54 0.00 0.00 -0.41 0.00 0.00 54.97 56.10 2kbo s GLU 27 Cb 0.00 -2.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 2kbo s GLU 27 CO 0.00 -0.76 0.00 2.41 -0.49 0.00 0.00 175.26 176.42 2kbo n THR 28 N -1.27 0.00 -3.64 3.63 -1.04 -1.26 -4.23 114.28 106.46 2kbo n THR 28 Ca 0.11 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.06 2kbo n THR 28 Cb 0.51 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.96 2kbo n THR 28 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2kbo s TYR 29 N 0.08 -0.51 -0.28 -1.42 5.04 -1.26 -2.97 117.35 116.02 2kbo s TYR 29 Ca 0.00 1.13 -0.26 0.00 -2.44 0.00 0.00 57.07 55.50 2kbo s TYR 29 Cb 0.00 0.36 0.17 0.00 0.35 0.00 0.00 41.96 42.84 2kbo s TYR 29 CO 0.00 -0.25 1.30 -0.48 -1.34 0.00 0.00 175.55 174.78 2kbo s LEU 30 N 0.75 -0.18 0.20 6.97 0.05 -1.26 -4.90 118.68 120.31 2kbo s LEU 30 Ca -0.02 0.33 -0.10 0.00 0.05 0.00 0.00 54.13 54.38 2kbo s LEU 30 Cb -0.04 1.36 -0.07 0.00 -2.05 0.00 0.00 46.19 45.39 2kbo s LEU 30 CO -0.11 -0.07 0.53 0.00 -0.55 0.00 0.00 176.35 176.15 2kbo s TYR 32 N -1.73 -0.05 -0.08 0.00 6.14 -1.07 -0.64 117.35 119.92 2kbo s TYR 32 Ca 0.45 0.30 0.02 0.00 0.64 0.00 0.00 57.07 58.48 2kbo s TYR 32 Cb -0.12 -0.20 0.01 0.00 0.42 0.00 0.00 41.96 42.07 2kbo s TYR 32 CO 0.21 -0.14 -0.13 -1.21 0.64 0.00 0.00 175.55 174.92 2kbo s GLU 33 N 1.27 1.89 0.04 4.97 2.02 0.29 -3.74 118.70 125.45 2kbo s GLU 33 Ca -0.07 -0.47 -0.03 0.00 0.02 0.00 0.00 54.97 54.42 2kbo s GLU 33 Cb -0.12 -1.58 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 2kbo s GLU 33 CO -0.04 0.00 0.04 0.54 0.02 0.00 0.00 175.26 175.82 2kbo s VAL 34 N 0.77 0.16 0.08 2.63 0.11 -1.26 0.20 120.40 123.09 2kbo s VAL 34 Ca -0.12 -1.33 0.05 0.00 -2.93 0.00 0.00 61.98 57.65 2kbo s VAL 34 Cb -0.16 -1.06 -0.03 0.00 -1.53 0.00 0.00 36.38 33.60 2kbo s VAL 34 CO 0.02 -0.74 -0.14 -0.70 -3.33 0.00 0.00 175.10 170.22 2kbo s GLU 35 N -3.02 0.84 -0.21 1.54 2.12 -0.76 -4.89 118.70 114.32 2kbo s GLU 35 Ca -0.01 -1.00 -0.07 0.00 0.36 0.00 0.00 54.97 54.25 2kbo s GLU 35 Cb 0.01 -0.81 -0.04 0.00 0.26 0.00 0.00 34.13 33.56 2kbo s GLU 35 CO -0.07 0.17 0.06 -0.98 -0.54 0.00 0.00 175.26 173.91 2kbo s ARG 36 N -1.92 3.82 -0.18 4.30 3.03 -1.25 -2.56 118.95 124.19 2kbo s ARG 36 Ca -0.00 -0.41 -0.09 0.00 2.03 0.00 0.00 55.73 57.25 2kbo s ARG 36 Cb -0.09 -3.24 -0.05 0.00 -1.03 0.00 0.00 34.95 30.55 2kbo s ARG 36 CO 0.02 0.08 0.11 -1.64 -1.13 0.00 0.00 175.30 172.74 2kbo s MET 37 N 0.90 4.03 -0.40 3.89 -1.94 -0.73 -1.60 119.30 123.45 2kbo s MET 37 Ca 0.03 -0.24 -0.10 0.00 -1.71 0.00 0.00 55.69 53.68 2kbo s MET 37 Cb -0.14 -3.34 0.05 0.00 2.01 0.00 0.00 34.83 33.42 2kbo s MET 37 CO 0.03 0.36 0.23 -1.58 -0.01 0.00 0.00 175.02 174.05 2kbo s HIS 38 N 0.16 3.29 0.00 -0.03 2.46 -0.44 -2.63 115.29 118.10 2kbo s HIS 38 Ca 0.08 -1.26 0.00 0.00 0.47 0.00 0.00 55.06 54.35 2kbo s HIS 38 Cb -0.11 -2.70 0.00 0.00 -0.13 0.00 0.00 32.58 29.64 2kbo s HIS 38 CO -0.01 -0.76 0.00 -1.71 -2.47 0.00 0.00 174.74 169.80 2kbo n ASN 39 N 4.96 -3.25 -0.25 9.88 5.15 -1.26 -2.30 115.26 128.18 2kbo n ASN 39 Ca -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2kbo n ASN 39 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 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 -2.48 0.00 -4.15 1.20 9.92 -1.26 -4.43 116.55 115.34 2kbo n ASP 40 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 2kbo n ASP 40 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 2kbo n ASP 40 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kbo s THR 41 N -1.28 0.59 0.05 -3.53 -1.32 -0.97 -5.15 115.64 104.03 2kbo s THR 41 Ca 0.00 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.52 2kbo s THR 41 Cb 0.00 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 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 -3.48 3.00 0.11 9.09 -2.14 -1.26 -1.33 118.94 122.93 2kbo s TRP 42 Ca 0.33 0.00 0.03 0.00 2.66 0.00 0.00 56.10 59.13 2kbo s TRP 42 Cb 0.05 -1.59 -0.04 0.00 -3.10 0.00 0.00 33.47 28.80 2kbo s TRP 42 CO 0.16 0.46 -0.09 0.08 -2.66 0.00 0.00 176.95 174.90 2kbo s VAL 43 N -1.19 0.89 -0.52 -0.66 1.01 -0.62 -4.79 120.40 114.51 2kbo s VAL 43 Ca 0.22 -1.81 -0.12 0.00 0.00 0.00 0.00 61.98 60.27 2kbo s VAL 43 Cb -0.12 -1.54 0.13 0.00 0.00 0.00 0.00 36.38 34.85 2kbo s VAL 43 CO 0.14 -0.70 0.43 -1.48 0.00 0.00 0.00 175.10 173.50 2kbo s LEU 44 N -2.77 5.95 0.65 3.92 2.34 -1.26 -3.81 118.68 123.69 2kbo s LEU 44 Ca 0.09 -1.93 -0.17 0.00 0.06 0.00 0.00 54.13 52.18 2kbo s LEU 44 Cb 0.01 -2.10 -0.04 0.00 -0.56 0.00 0.00 46.19 43.49 2kbo s LEU 44 CO -0.01 -0.75 0.74 0.00 -1.06 0.00 0.00 176.35 175.26 2kbo n LEU 45 N 4.97 2.20 -4.56 1.48 -0.00 -1.26 -4.83 117.00 114.99 2kbo n LEU 45 Ca -0.09 0.70 -0.37 0.00 -0.00 0.00 0.00 56.01 56.26 2kbo n LEU 45 Cb 0.41 -1.29 -0.04 0.00 -0.00 0.00 0.00 43.42 42.50 2kbo n LEU 45 CO 0.47 -2.53 1.41 0.54 -0.00 0.00 0.00 177.39 177.28 2kbo s ASN 46 N -1.36 5.99 0.00 1.45 2.20 -1.26 -4.75 114.94 117.21 2kbo s ASN 46 Ca 0.71 -1.01 0.00 0.00 -0.94 0.00 0.00 52.86 51.62 2kbo s ASN 46 Cb -0.39 -2.56 0.00 0.00 -2.00 0.00 0.00 41.25 36.30 2kbo s ASN 46 CO 0.52 -1.96 0.00 1.67 -2.94 0.00 0.00 177.10 174.39 2kbo n GLN 47 N 8.95 0.00 0.00 3.55 7.27 -1.26 -5.17 117.38 130.72 2kbo n GLN 47 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.38 2kbo n GLN 47 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 2kbo n GLN 47 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2kbo n ARG 48 N 0.00 0.00 -3.67 3.69 1.74 -1.26 -5.16 116.66 112.00 2kbo n ARG 48 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2kbo n ARG 48 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 2kbo n ARG 48 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2kbo s ARG 49 N 3.35 0.20 0.00 5.56 1.70 -1.26 -4.85 118.95 123.65 2kbo s ARG 49 Ca 0.00 0.77 0.00 0.00 -0.47 0.00 0.00 55.73 56.03 2kbo s ARG 49 Cb 0.00 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 2kbo s ARG 49 CO 0.00 -0.25 0.00 0.41 -1.08 0.00 0.00 175.30 174.38 2kbo n GLY 50 N 5.13 1.71 2.82 3.88 0.00 -1.25 -5.00 105.19 112.49 2kbo n GLY 50 Ca -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.17 2kbo n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kbo n PHE 51 N 0.00 -0.99 -3.52 1.61 7.35 -1.26 -2.61 117.46 118.03 2kbo n PHE 51 Ca 0.00 -0.85 -0.19 0.00 -0.76 0.00 0.00 57.45 55.64 2kbo n PHE 51 Cb 0.00 0.41 -0.01 0.00 0.35 0.00 0.00 39.48 40.23 2kbo n PHE 51 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2kbo s LEU 52 N 0.00 3.89 -0.19 -2.13 1.02 -1.26 -5.05 118.68 114.96 2kbo s LEU 52 Ca 0.18 -0.26 -0.06 0.00 0.02 0.00 0.00 54.13 54.01 2kbo s LEU 52 Cb -0.02 -2.64 0.09 0.00 0.02 0.00 0.00 46.19 43.64 2kbo s LEU 52 CO 0.03 -0.43 0.38 0.00 0.02 0.00 0.00 176.35 176.36 2kbo n ASN 54 N 5.38 -1.90 -4.91 0.00 5.15 -1.16 -4.90 115.26 112.92 2kbo n ASN 54 Ca -0.07 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.62 2kbo n ASN 54 Cb 0.50 -2.37 -0.03 0.00 -0.53 0.00 0.00 39.78 37.34 2kbo n ASN 54 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2kbo s GLN 55 N -1.12 3.60 0.03 1.20 -0.21 -1.26 -5.05 119.66 116.85 2kbo s GLN 55 Ca 0.00 -0.11 0.01 0.00 0.02 0.00 0.00 55.36 55.28 2kbo s GLN 55 Cb 0.00 -2.74 -0.02 0.00 1.00 0.00 0.00 33.01 31.25 2kbo s GLN 55 CO 0.00 0.32 -0.05 0.00 -2.12 0.00 0.00 175.29 173.43 2kbo s ALA 56 N -1.94 0.32 0.57 6.09 0.00 -1.26 -5.04 121.76 120.50 2kbo s ALA 56 Ca 0.42 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 2kbo s ALA 56 Cb -0.11 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 2kbo s ALA 56 CO 0.28 -0.10 1.02 -1.25 0.00 0.00 0.00 175.76 175.72 2kbo s PRO 57 N -1.50 3.61 -0.01 0.00 0.04 -1.26 -4.99 135.00 130.89 2kbo s PRO 57 Ca -0.13 0.99 0.05 0.00 0.04 0.00 0.00 61.00 61.94 2kbo s PRO 57 Cb -0.10 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 2kbo s PRO 57 CO -0.00 -0.55 0.11 1.58 0.04 0.00 0.00 177.00 178.17 2kbo n HIS 58 N -2.06 0.00 0.00 0.56 -0.00 -1.26 -4.91 115.22 107.55 2kbo n HIS 58 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2kbo n HIS 58 Cb 0.54 -0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.30 2kbo n HIS 58 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2kbo n LYS 59 N -1.65 2.10 -0.88 1.57 2.85 -1.26 -4.83 118.16 116.06 2kbo n LYS 59 Ca -0.01 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.94 2kbo n LYS 59 Cb 0.12 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.54 2kbo n LYS 59 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2kbo n HIS 60 N -0.20 -4.51 -1.60 5.58 -0.00 -1.26 -4.70 115.22 108.54 2kbo n HIS 60 Ca 0.00 -0.02 -0.46 0.00 -0.00 0.00 0.00 57.72 57.24 2kbo n HIS 60 Cb 0.00 -1.25 -0.02 0.00 -0.00 0.00 0.00 29.99 28.72 2kbo n HIS 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kbo n GLY 61 N 3.02 0.03 2.92 1.57 0.00 -1.26 -4.99 105.19 106.47 2kbo n GLY 61 Ca -0.01 0.42 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.64 0.24 0.41 1.61 5.36 -1.26 -5.15 117.98 118.56 2kbo s PHE 62 Ca 0.64 -0.06 0.08 0.00 -0.96 0.00 0.00 56.93 56.64 2kbo s PHE 62 Cb -0.74 -0.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.77 2kbo s PHE 62 CO 0.56 -0.01 0.38 -0.51 -1.46 0.00 0.00 175.22 174.18 2kbo s LEU 63 N -0.10 3.40 0.00 6.12 1.43 -1.26 -5.08 118.68 123.19 2kbo s LEU 63 Ca 0.01 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2kbo s LEU 63 Cb -0.01 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.15 2kbo s LEU 63 CO -0.00 -0.64 0.07 -0.62 0.23 0.00 0.00 176.35 175.39 2kbo n GLU 64 N -1.54 1.34 0.00 1.70 1.02 -1.26 -4.69 120.64 117.21 2kbo n GLU 64 Ca 0.03 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.59 2kbo n GLU 64 Cb 0.62 0.06 0.00 0.00 -0.02 0.00 0.00 31.44 32.09 2kbo n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kbo n GLY 65 N 3.87 2.52 3.65 0.62 0.00 -1.26 -4.99 105.19 109.61 2kbo n GLY 65 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.25 4.09 0.26 1.61 0.52 -1.26 -5.00 118.95 118.92 2kbo s ARG 66 Ca 0.00 2.00 -0.00 0.00 -0.52 0.00 0.00 55.73 57.20 2kbo s ARG 66 Cb 0.00 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 2kbo s ARG 66 CO 0.00 -0.94 0.45 -1.01 0.02 0.00 0.00 175.30 173.82 2kbo s HIS 67 N 4.27 3.48 0.23 -0.53 3.76 -1.26 -4.81 115.29 120.43 2kbo s HIS 67 Ca 0.71 0.35 0.12 0.00 -0.15 0.00 0.00 55.06 56.09 2kbo s HIS 67 Cb -0.30 -1.87 0.82 0.00 1.11 0.00 0.00 32.58 32.34 2kbo s HIS 67 CO 0.27 0.29 0.98 0.00 -0.85 0.00 0.00 174.74 175.43 2kbo n ALA 68 N -1.09 0.62 0.14 -1.40 0.00 -1.26 0.56 120.51 118.08 2kbo n ALA 68 Ca -0.05 0.63 -0.11 0.00 0.00 0.00 0.00 53.44 53.91 2kbo n ALA 68 Cb 0.55 -0.62 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.56 0.00 0.00 9.09 -1.93 -1.48 114.58 119.69 2kbo h GLU 69 Ca 0.52 0.04 -0.00 0.00 0.05 0.00 0.00 59.36 59.96 2kbo h GLU 69 Cb 1.36 0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 28.59 2kbo h GLU 69 CO -0.48 -0.38 -0.01 -0.07 0.05 0.00 0.00 179.01 178.12 2kbo h LEU 70 N -0.59 0.00 0.41 3.06 -0.00 -0.17 -2.86 115.31 115.15 2kbo h LEU 70 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 2kbo h LEU 70 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2kbo h LEU 70 CO -0.11 0.01 -0.21 0.00 -0.00 0.00 0.00 178.44 178.14 2kbo h PHE 72 N -0.56 1.12 -1.75 0.00 -5.15 -1.50 0.10 116.94 109.20 2kbo h PHE 72 Ca -0.06 -0.06 0.52 0.00 -0.20 0.00 0.00 57.97 58.18 2kbo h PHE 72 Cb 0.43 -0.35 -0.09 0.00 0.22 0.00 0.00 35.95 36.17 2kbo h PHE 72 CO 0.11 0.83 1.24 -0.11 -2.00 0.00 0.00 178.31 178.37 2kbo n LEU 73 N -4.31 0.04 0.04 2.10 7.94 -1.08 0.35 117.00 122.08 2kbo n LEU 73 Ca 0.07 1.01 0.10 0.00 -1.11 0.00 0.00 56.01 56.08 2kbo n LEU 73 Cb 0.15 -0.50 -0.10 0.00 0.53 0.00 0.00 43.42 43.50 2kbo n LEU 73 CO 0.40 -1.03 -0.44 -0.67 -1.11 0.00 0.00 177.39 174.54 2kbo n ASP 74 N -3.96 0.38 -0.03 1.96 -0.08 0.31 -4.45 116.55 110.68 2kbo n ASP 74 Ca 0.41 0.15 -0.13 0.00 -1.51 0.00 0.00 54.79 53.71 2kbo n ASP 74 Cb 1.82 1.27 -0.11 0.00 2.34 0.00 0.00 41.12 46.44 2kbo n ASP 74 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2kbo h VAL 75 N 0.00 1.47 -0.84 5.18 3.04 0.66 -3.24 116.25 122.52 2kbo h VAL 75 Ca -0.02 -1.40 0.14 0.00 -1.01 0.00 0.00 66.70 64.41 2kbo h VAL 75 Cb 1.06 2.42 -0.14 0.00 -2.01 0.00 0.00 31.29 32.62 2kbo h VAL 75 CO 0.00 0.36 -0.31 -0.38 -1.01 0.00 0.00 177.57 176.24 2kbo n ILE 76 N -4.80 -0.43 0.34 3.17 2.08 -0.89 0.36 119.36 119.18 2kbo n ILE 76 Ca -0.09 1.97 0.14 0.00 0.56 0.00 0.00 62.75 65.33 2kbo n ILE 76 Cb 0.30 -2.62 0.59 0.00 -0.75 0.00 0.00 39.64 37.16 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 -0.94 0.38 0.13 -1.82 -2.84 132.00 126.91 2kbo h PRO 77 Ca 0.31 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.45 2kbo h PRO 77 Cb 0.52 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.61 2kbo h PRO 77 CO -0.84 0.00 0.62 0.35 -0.23 0.00 0.00 178.00 177.90 2kbo h PHE 78 N 0.00 1.18 0.00 1.56 3.04 0.63 0.16 116.94 123.50 2kbo h PHE 78 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2kbo h PHE 78 Cb 0.35 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 38.46 2kbo h PHE 78 CO 0.00 0.74 0.00 0.91 -2.02 0.00 0.00 178.31 177.94 2kbo n TRP 79 N -4.43 0.46 -3.63 0.41 8.01 -1.07 -4.94 117.44 112.24 2kbo n TRP 79 Ca 0.11 0.13 -0.25 0.00 -1.31 0.00 0.00 57.50 56.18 2kbo n TRP 79 Cb 0.01 -0.72 0.04 0.00 -2.01 0.00 0.00 31.31 28.63 2kbo n TRP 79 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2kbo n LYS 80 N -1.87 -2.83 0.00 -0.99 5.02 0.54 -5.00 118.16 113.02 2kbo n LYS 80 Ca 0.06 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 2kbo n LYS 80 Cb 0.38 -4.82 0.00 0.00 -0.02 0.00 0.00 35.03 30.57 2kbo n LYS 80 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kbo n LEU 81 N -4.06 0.00 0.00 -0.35 4.32 -1.26 -5.10 117.00 110.55 2kbo n LEU 81 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 2kbo n LEU 81 Cb 0.63 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 2kbo n LEU 81 CO 0.67 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.31 2kbo n ASP 82 N 0.00 1.21 -0.03 -1.43 8.00 -1.26 -5.08 116.55 117.96 2kbo n ASP 82 Ca 0.00 -0.56 -0.18 0.00 0.71 0.00 0.00 54.79 54.77 2kbo n ASP 82 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 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 2.21 0.01 0.64 0.00 -1.26 -4.14 117.00 114.46 2kbo n LEU 83 Ca 0.00 0.17 0.05 0.00 0.00 0.00 0.00 56.01 56.23 2kbo n LEU 83 Cb 0.00 -0.74 0.24 0.00 0.00 0.00 0.00 43.42 42.92 2kbo n LEU 83 CO 0.00 0.76 0.67 -0.67 0.00 0.00 0.00 177.39 178.16 2kbo n ASP 84 N -3.31 0.04 -3.81 1.96 2.03 -1.26 -4.74 116.55 107.47 2kbo n ASP 84 Ca -0.32 0.51 -0.19 0.00 0.52 0.00 0.00 54.79 55.32 2kbo n ASP 84 Cb 1.05 -0.52 0.11 0.00 -0.72 0.00 0.00 41.12 41.03 2kbo n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbo n GLN 85 N -1.55 -0.20 -4.26 -0.67 1.13 -1.26 -4.29 117.38 106.28 2kbo n GLN 85 Ca 0.02 -1.93 -0.17 0.00 -1.94 0.00 0.00 57.00 52.98 2kbo n GLN 85 Cb 0.12 -0.64 -0.09 0.00 0.11 0.00 0.00 30.24 29.74 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 -4.24 1.20 -0.10 1.08 1.01 -1.08 -4.87 116.67 109.67 2kbo s ASP 86 Ca 0.52 -1.63 -0.06 0.00 0.71 0.00 0.00 52.55 52.09 2kbo s ASP 86 Cb -0.02 0.49 0.04 0.00 1.01 0.00 0.00 42.92 44.43 2kbo s ASP 86 CO 0.35 -0.98 0.23 -0.31 0.21 0.00 0.00 175.17 174.68 2kbo s TYR 87 N -3.68 -0.30 -0.61 4.23 2.02 -1.25 -1.78 117.35 115.99 2kbo s TYR 87 Ca 0.40 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 57.82 2kbo s TYR 87 Cb 0.04 0.05 0.15 0.00 -0.40 0.00 0.00 41.96 41.80 2kbo s TYR 87 CO 0.22 -0.20 0.40 1.03 -1.57 0.00 0.00 175.55 175.43 2kbo s ARG 88 N 0.95 2.39 0.25 -0.62 0.52 -1.06 -2.85 118.95 118.53 2kbo s ARG 88 Ca -0.07 -2.66 -0.11 0.00 -0.52 0.00 0.00 55.73 52.37 2kbo s ARG 88 Cb -0.08 -3.58 -0.08 0.00 0.52 0.00 0.00 34.95 31.74 2kbo s ARG 88 CO -0.06 -1.16 0.60 0.08 0.02 0.00 0.00 175.30 174.77 2kbo s VAL 89 N -0.32 4.87 -0.06 3.52 1.01 -0.11 -1.83 120.40 127.48 2kbo s VAL 89 Ca 0.18 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 2kbo s VAL 89 Cb -0.21 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.59 2kbo s VAL 89 CO -0.03 -0.09 0.13 -0.89 0.00 0.00 0.00 175.10 174.22 2kbo s THR 90 N -1.85 -0.10 -0.08 3.92 2.01 0.55 -1.63 115.64 118.46 2kbo s THR 90 Ca 0.49 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.75 2kbo s THR 90 Cb -0.11 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.15 2kbo s THR 90 CO 0.20 0.10 -0.18 0.00 -0.69 0.00 0.00 174.62 174.05 2kbo s PHE 92 N -0.14 3.62 0.22 0.00 0.08 0.19 -0.59 117.98 121.35 2kbo s PHE 92 Ca -0.02 -2.69 -0.00 0.00 0.12 0.00 0.00 56.93 54.34 2kbo s PHE 92 Cb -0.14 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.46 2kbo s PHE 92 CO 0.04 -0.93 0.13 0.99 -0.10 0.00 0.00 175.22 175.34 2kbo s THR 93 N 1.01 0.10 -0.20 0.64 2.01 -0.37 -1.23 115.64 117.61 2kbo s THR 93 Ca 0.06 -2.00 0.21 0.00 0.31 0.00 0.00 61.69 60.28 2kbo s THR 93 Cb -0.20 -2.52 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 2kbo s THR 93 CO -0.06 0.00 0.96 -1.54 -0.69 0.00 0.00 174.62 173.28 2kbo n SER 94 N -0.37 0.80 -4.60 3.53 3.41 -1.26 -3.64 113.62 111.48 2kbo n SER 94 Ca 0.02 0.32 -0.28 0.00 -0.26 0.00 0.00 58.87 58.66 2kbo n SER 94 Cb 0.66 0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 65.00 2kbo n SER 94 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2kbo s TRP 95 N -3.28 2.75 0.05 7.33 1.48 -1.26 -0.14 118.94 125.86 2kbo s TRP 95 Ca -0.02 -0.16 -0.01 0.00 -1.06 0.00 0.00 56.10 54.85 2kbo s TRP 95 Cb 0.10 -1.39 0.01 0.00 -1.16 0.00 0.00 33.47 31.03 2kbo s TRP 95 CO 0.80 0.47 0.05 -1.13 -4.06 0.00 0.00 176.95 173.09 2kbo n SER 96 N 0.33 -0.36 -2.03 -2.66 3.41 -1.26 -4.72 113.62 106.33 2kbo n SER 96 Ca -0.12 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2kbo n SER 96 Cb 0.54 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.30 3.32 -3.70 4.33 -0.04 -1.26 -5.10 135.00 131.25 2kbo n PRO 97 Ca 0.01 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2kbo n PRO 97 Cb 0.03 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.41 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 0.90 -0.05 -0.04 0.00 -1.74 -1.26 0.11 117.46 115.38 2kbo n PHE 99 Ca -0.20 0.79 -0.02 0.00 -0.56 0.00 0.00 57.45 57.45 2kbo n PHE 99 Cb 0.58 -0.69 -0.01 0.00 1.52 0.00 0.00 39.48 40.88 2kbo n PHE 99 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 2kbo h SER 100 N 0.00 0.00 -0.75 5.98 0.02 -1.97 -2.93 113.55 113.90 2kbo h SER 100 Ca 0.19 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 61.36 2kbo h SER 100 Cb 0.35 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2kbo h SER 100 CO -0.62 0.39 1.02 0.00 -1.14 0.00 0.00 176.83 176.48 2kbo h ALA 102 N 0.66 0.14 0.39 0.00 0.00 0.56 -3.01 119.26 117.99 2kbo h ALA 102 Ca 0.35 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2kbo h ALA 102 Cb 2.40 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.17 2kbo h ALA 102 CO -0.00 0.33 -0.50 1.96 0.00 0.00 0.00 179.25 181.03 2kbo h GLN 103 N -0.03 -0.88 -0.55 0.00 4.20 0.29 0.49 115.11 118.63 2kbo h GLN 103 Ca -0.05 0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.77 2kbo h GLN 103 Cb 1.17 0.20 -0.07 0.00 0.30 0.00 0.00 27.48 29.09 2kbo h GLN 103 CO 0.10 -0.59 -0.32 0.39 -0.67 0.00 0.00 178.83 177.74 2kbo n GLU 104 N -5.42 -0.24 0.06 1.46 -0.58 -0.89 -0.42 120.64 114.60 2kbo n GLU 104 Ca -0.11 1.05 -0.04 0.00 -0.42 0.00 0.00 57.16 57.64 2kbo n GLU 104 Cb 0.44 -1.55 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 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 -0.20 -0.59 3.49 4.05 -1.31 -2.75 114.93 117.62 2kbo h MET 105 Ca 0.09 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.62 2kbo h MET 105 Cb 0.23 0.05 -0.10 0.00 -0.80 0.00 0.00 31.60 30.97 2kbo h MET 105 CO -0.52 -0.14 -0.20 0.00 0.23 0.00 0.00 176.91 176.29 2kbo n ALA 106 N -2.37 0.01 -0.16 0.39 0.00 0.17 -0.15 120.51 118.39 2kbo n ALA 106 Ca -0.03 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2kbo n ALA 106 Cb 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -4.91 0.00 -0.50 0.00 5.02 0.44 0.30 118.16 118.51 2kbo n LYS 107 Ca 0.07 0.73 0.38 0.00 -2.02 0.00 0.00 58.31 57.48 2kbo n LYS 107 Cb 0.26 -1.42 0.60 0.00 -0.02 0.00 0.00 35.03 34.45 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 -2.34 0.15 0.00 2.13 3.01 0.78 0.15 117.46 121.34 2kbo n PHE 108 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.61 2kbo n PHE 108 Cb 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 38.93 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 -3.68 0.00 -0.36 4.37 -0.00 0.18 -2.95 119.36 116.91 2kbo n ILE 109 Ca 0.33 0.43 0.28 0.00 -0.00 0.00 0.00 62.75 63.79 2kbo n ILE 109 Cb 1.46 -1.36 0.54 0.00 -0.00 0.00 0.00 39.64 40.28 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 -0.02 4.38 4.64 0.60 1.55 113.55 125.12 2kbo h SER 110 Ca 0.00 0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 2kbo h SER 110 Cb 0.00 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2kbo h SER 110 CO 0.00 -0.10 -0.45 0.11 -0.87 0.00 0.00 176.83 175.53 2kbo h LYS 111 N 0.27 0.55 -2.59 4.77 1.79 0.12 -3.39 116.57 118.09 2kbo h LYS 111 Ca 0.73 -0.30 -0.55 0.00 -2.18 0.00 0.00 60.65 58.35 2kbo h LYS 111 Cb 1.91 0.01 -0.39 0.00 -1.58 0.00 0.00 32.23 32.18 2kbo h LYS 111 CO -0.48 0.89 -0.82 1.21 -1.08 0.00 0.00 179.45 179.17 2kbo s ASN 112 N -6.87 2.99 0.00 0.86 3.84 0.52 -4.98 114.94 111.30 2kbo s ASN 112 Ca -0.07 -1.88 0.05 0.00 0.21 0.00 0.00 52.86 51.17 2kbo s ASN 112 Cb 0.12 -0.31 0.26 0.00 -0.55 0.00 0.00 41.25 40.77 2kbo s ASN 112 CO 0.83 -0.34 1.00 0.29 -2.79 0.00 0.00 177.10 176.08 2kbo n LYS 113 N 4.41 0.07 0.00 0.43 4.01 -0.50 -3.04 118.16 123.53 2kbo n LYS 113 Ca 0.07 0.23 0.00 0.00 -0.51 0.00 0.00 58.31 58.11 2kbo n LYS 113 Cb 0.39 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.43 2kbo n LYS 113 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 2kbo n HIS 114 N -1.28 0.00 -4.39 2.13 1.44 -1.26 -4.60 115.22 107.26 2kbo n HIS 114 Ca 0.02 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.43 2kbo n HIS 114 Cb 0.04 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.04 2kbo n HIS 114 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2kbo s VAL 115 N -2.00 3.11 -0.30 0.61 1.01 -1.17 -3.86 120.40 117.80 2kbo s VAL 115 Ca 0.01 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 60.72 2kbo s VAL 115 Cb 0.01 -2.40 0.10 0.00 0.00 0.00 0.00 36.38 34.08 2kbo s VAL 115 CO 0.01 0.20 0.11 -0.44 0.00 0.00 0.00 175.10 174.98 2kbo s SER 116 N -1.89 3.77 -0.14 3.32 0.01 -1.13 -4.98 113.70 112.66 2kbo s SER 116 Ca 0.18 -1.45 -0.11 0.00 1.31 0.00 0.00 55.95 55.88 2kbo s SER 116 Cb -0.11 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.44 2kbo s SER 116 CO 0.10 -0.42 0.22 -0.76 0.41 0.00 0.00 173.24 172.79 2kbo s LEU 117 N 1.83 4.31 -0.47 2.44 2.01 -1.26 -0.93 118.68 126.60 2kbo s LEU 117 Ca 0.09 0.48 0.04 0.00 0.01 0.00 0.00 54.13 54.75 2kbo s LEU 117 Cb -0.17 -2.24 0.13 0.00 0.01 0.00 0.00 46.19 43.91 2kbo s LEU 117 CO -0.29 0.24 0.22 0.00 1.01 0.00 0.00 176.35 177.52 2kbo s ILE 119 N 0.06 5.02 -0.46 0.00 1.01 0.82 -1.89 121.20 125.76 2kbo s ILE 119 Ca 0.16 1.40 -0.10 0.00 0.00 0.00 0.00 60.65 62.11 2kbo s ILE 119 Cb -0.24 -4.03 0.11 0.00 0.01 0.00 0.00 42.46 38.31 2kbo s ILE 119 CO -0.02 0.20 0.33 -0.36 0.00 0.00 0.00 174.94 175.09 2kbo s PHE 120 N 1.19 3.38 0.24 3.97 0.40 0.24 -1.23 117.98 126.17 2kbo s PHE 120 Ca 0.35 -1.70 0.10 0.00 -0.60 0.00 0.00 56.93 55.09 2kbo s PHE 120 Cb -0.17 -3.34 -0.05 0.00 0.51 0.00 0.00 43.02 39.97 2kbo s PHE 120 CO 0.15 -0.95 -0.12 0.95 0.70 0.00 0.00 175.22 175.95 2kbo s THR 121 N 1.41 2.91 -0.00 0.64 -4.23 -0.92 -1.23 115.64 114.22 2kbo s THR 121 Ca 0.05 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 2kbo s THR 121 Cb -0.25 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 2kbo s THR 121 CO 0.01 -0.28 -0.06 0.00 -0.54 0.00 0.00 174.62 173.75 2kbo n ALA 122 N -0.40 2.69 -3.28 3.99 0.00 0.41 0.13 120.51 124.05 2kbo n ALA 122 Ca -0.08 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 2kbo n ALA 122 Cb 0.58 0.34 -0.10 0.00 0.00 0.00 0.00 19.45 20.27 2kbo n ALA 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kbo s ARG 123 N -2.11 0.50 -0.03 0.00 1.70 0.80 -4.42 118.95 115.39 2kbo s ARG 123 Ca -0.05 0.43 0.02 0.00 -0.47 0.00 0.00 55.73 55.66 2kbo s ARG 123 Cb 0.02 0.24 0.01 0.00 -0.57 0.00 0.00 34.95 34.64 2kbo s ARG 123 CO 0.07 -0.08 -0.08 0.96 -1.08 0.00 0.00 175.30 175.10 2kbo s ILE 124 N -0.04 0.71 -0.40 4.99 -4.36 -1.26 -4.28 121.20 116.56 2kbo s ILE 124 Ca -0.02 -0.30 0.02 0.00 -0.26 0.00 0.00 60.65 60.08 2kbo s ILE 124 Cb -0.03 -0.65 0.15 0.00 1.25 0.00 0.00 42.46 43.18 2kbo s ILE 124 CO 0.01 0.23 0.26 -0.31 0.24 0.00 0.00 174.94 175.38 2kbo s TYR 125 N 0.35 1.18 0.31 1.37 2.02 -1.26 -4.67 117.35 116.65 2kbo s TYR 125 Ca -0.05 -2.03 0.09 0.00 -0.37 0.00 0.00 57.07 54.71 2kbo s TYR 125 Cb -0.10 -1.18 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 2kbo s TYR 125 CO 0.01 -0.81 -0.00 0.16 -1.57 0.00 0.00 175.55 173.34 2kbo s ASP 126 N 0.56 4.27 -0.39 2.29 1.47 -1.26 -5.05 116.67 118.56 2kbo s ASP 126 Ca 0.22 -0.88 0.05 0.00 1.18 0.00 0.00 52.55 53.12 2kbo s ASP 126 Cb -0.16 -0.61 0.45 0.00 -0.34 0.00 0.00 42.92 42.26 2kbo s ASP 126 CO -0.05 -0.15 1.35 -0.90 0.68 0.00 0.00 175.17 176.10 2kbo n ASP 127 N -0.92 5.47 0.00 2.11 5.68 -1.26 -4.90 116.55 122.73 2kbo n ASP 127 Ca -0.05 -3.76 0.00 0.00 -0.50 0.00 0.00 54.79 50.49 2kbo n ASP 127 Cb 0.61 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2kbo n ASP 127 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kbo n GLN 128 N -0.72 0.00 0.00 0.11 1.13 -1.26 -5.11 117.38 111.53 2kbo n GLN 128 Ca 0.47 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 2kbo n GLN 128 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.22 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 4.26 0.62 0.31 1.08 0.00 -1.26 -4.83 105.19 105.38 2kbo n GLY 129 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2kbo n GLY 129 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kbo n ARG 130 N 0.00 0.03 0.01 1.61 3.00 -1.26 0.81 116.66 120.86 2kbo n ARG 130 Ca 0.00 0.91 0.01 0.00 -0.00 0.00 0.00 57.85 58.76 2kbo n ARG 130 Cb 0.00 -2.49 0.04 0.00 0.00 0.00 0.00 32.46 30.02 2kbo n ARG 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kbo n GLN 132 N -1.54 0.02 -0.01 0.00 10.64 0.24 -3.66 117.38 123.07 2kbo n GLN 132 Ca -0.00 0.42 -0.00 0.00 -1.83 0.00 0.00 57.00 55.59 2kbo n GLN 132 Cb 0.02 -1.70 -0.00 0.00 -0.86 0.00 0.00 30.24 27.69 2kbo n GLN 132 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2kbo n GLU 133 N -1.53 -0.01 0.01 2.61 0.28 -0.93 -0.59 120.64 120.48 2kbo n GLU 133 Ca -0.00 0.70 -0.10 0.00 -0.16 0.00 0.00 57.16 57.60 2kbo n GLU 133 Cb 0.13 -1.05 -0.04 0.00 1.43 0.00 0.00 31.44 31.92 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 -0.09 -0.33 -1.84 0.00 -1.58 -1.97 103.07 97.25 2kbo h GLY 134 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.53 2kbo h GLY 134 CO -0.03 -0.14 -0.19 -0.10 0.00 0.00 0.00 176.54 176.08 2kbo n LEU 135 N -5.28 -0.35 0.21 3.11 0.00 0.24 0.26 117.00 115.19 2kbo n LEU 135 Ca -0.04 0.94 0.15 0.00 0.00 0.00 0.00 56.01 57.06 2kbo n LEU 135 Cb 0.20 -0.25 0.60 0.00 0.00 0.00 0.00 43.42 43.97 2kbo n LEU 135 CO 0.24 -0.66 0.93 0.08 0.00 0.00 0.00 177.39 177.98 2kbo h ARG 136 N 0.00 0.00 0.06 1.96 0.11 -1.23 -1.94 114.38 113.34 2kbo h ARG 136 Ca 0.05 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.13 2kbo h ARG 136 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2kbo h ARG 136 CO -0.31 0.00 -0.03 0.00 0.10 0.00 0.00 179.97 179.73 2kbo h THR 137 N 0.00 0.60 0.00 0.08 1.03 0.43 -1.99 112.91 113.07 2kbo h THR 137 Ca 0.00 -1.33 -0.02 0.00 -0.01 0.00 0.00 66.41 65.05 2kbo h THR 137 Cb 0.43 1.11 -0.00 0.00 -1.07 0.00 0.00 68.15 68.62 2kbo h THR 137 CO 0.00 0.19 -0.10 0.17 -0.01 0.00 0.00 175.52 175.77 2kbo h LEU 138 N -0.99 0.00 -0.04 0.00 -0.00 -0.17 1.39 115.31 115.50 2kbo h LEU 138 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.78 2kbo h LEU 138 Cb 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2kbo h LEU 138 CO 0.01 0.10 -0.33 0.00 -0.00 0.00 0.00 178.44 178.22 2kbo h ALA 139 N 1.90 0.09 0.13 0.17 0.00 -1.44 0.63 119.26 120.75 2kbo h ALA 139 Ca -0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 54.91 54.11 2kbo h ALA 139 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kbo h ALA 139 CO 0.01 0.17 -1.71 0.93 0.00 0.00 0.00 179.25 178.66 2kbo h GLU 140 N -0.25 0.28 -0.31 0.00 4.39 -1.17 -3.23 114.58 114.29 2kbo h GLU 140 Ca -0.03 -0.48 0.09 0.00 0.34 0.00 0.00 59.36 59.28 2kbo h GLU 140 Cb 1.02 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2kbo h GLU 140 CO 0.07 1.15 0.37 0.00 -1.16 0.00 0.00 179.01 179.43 2kbo h ALA 141 N 0.33 1.96 0.00 3.43 0.00 0.17 -3.42 119.26 121.73 2kbo h ALA 141 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kbo h ALA 141 Cb 2.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2kbo h ALA 141 CO 0.15 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.28 2kbo n GLY 142 N -1.44 0.03 3.67 0.00 0.00 -1.21 -4.06 105.19 102.17 2kbo n GLY 142 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 3.51 -0.49 4.61 0.00 0.22 -4.43 121.76 125.18 2kbo s ALA 143 Ca 0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 51.96 51.50 2kbo s ALA 143 Cb 0.00 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.23 2kbo s ALA 143 CO 0.00 -0.43 0.86 0.15 0.00 0.00 0.00 175.76 176.34 2kbo s LYS 144 N 1.62 3.39 0.06 0.00 3.01 -0.12 -4.17 119.74 123.53 2kbo s LYS 144 Ca 0.29 -0.14 0.01 0.00 -1.01 0.00 0.00 55.97 55.12 2kbo s LYS 144 Cb -0.16 -3.98 -0.04 0.00 -1.01 0.00 0.00 37.83 32.64 2kbo s LYS 144 CO 0.11 -1.26 0.18 0.42 0.51 0.00 0.00 175.35 175.31 2kbo s ILE 145 N 3.57 5.20 0.04 2.17 -1.09 -1.26 -0.13 121.20 129.70 2kbo s ILE 145 Ca 0.31 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 2kbo s ILE 145 Cb -0.12 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 2kbo s ILE 145 CO 0.22 0.14 -0.04 -0.55 -1.23 0.00 0.00 174.94 173.48 2kbo s SER 146 N -2.48 0.49 -0.32 3.58 0.15 -0.37 -4.93 113.70 109.83 2kbo s SER 146 Ca 0.34 -0.70 -0.12 0.00 0.70 0.00 0.00 55.95 56.17 2kbo s SER 146 Cb -0.13 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.28 2kbo s SER 146 CO 0.27 -0.38 0.21 -0.63 1.20 0.00 0.00 173.24 173.90 2kbo s ILE 147 N -2.34 5.11 -0.55 6.45 1.09 -1.26 -2.16 121.20 127.55 2kbo s ILE 147 Ca -0.06 -0.22 -0.24 0.00 -1.10 0.00 0.00 60.65 59.03 2kbo s ILE 147 Cb -0.04 -3.60 0.04 0.00 -1.06 0.00 0.00 42.46 37.81 2kbo s ILE 147 CO -0.04 0.04 0.94 -0.04 -0.10 0.00 0.00 174.94 175.75 2kbo s MET 148 N 1.70 3.34 0.60 2.79 -1.94 0.34 -4.93 119.30 121.21 2kbo s MET 148 Ca 0.06 -0.24 0.07 0.00 -1.71 0.00 0.00 55.69 53.87 2kbo s MET 148 Cb -0.17 -4.05 0.09 0.00 2.01 0.00 0.00 34.83 32.71 2kbo s MET 148 CO 0.09 -1.47 0.83 0.95 -0.01 0.00 0.00 175.02 175.41 2kbo s THR 149 N 3.94 2.19 0.09 2.05 -4.23 -1.26 -4.65 115.64 113.77 2kbo s THR 149 Ca 0.31 -0.90 -0.17 0.00 -1.18 0.00 0.00 61.69 59.75 2kbo s THR 149 Cb -0.12 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 2kbo s THR 149 CO 0.20 0.00 0.89 0.00 -0.54 0.00 0.00 174.62 175.16 2kbo n TYR 150 N -2.37 -0.24 0.06 3.99 4.11 -1.26 0.18 117.16 121.62 2kbo n TYR 150 Ca 0.15 0.69 -0.03 0.00 -0.00 0.00 0.00 57.90 58.71 2kbo n TYR 150 Cb 0.61 -0.53 -0.02 0.00 -0.00 0.00 0.00 39.34 39.40 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 -0.26 -0.35 9.48 4.64 -1.99 0.43 113.55 125.50 2kbo h SER 151 Ca 0.09 0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.53 2kbo h SER 151 Cb 0.23 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2kbo h SER 151 CO -0.52 -0.13 0.70 -0.33 -0.87 0.00 0.00 176.83 175.68 2kbo h GLU 152 N -0.20 0.00 0.35 4.77 3.07 -1.41 0.13 114.58 121.30 2kbo h GLU 152 Ca -0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2kbo h GLU 152 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2kbo h GLU 152 CO -0.01 0.00 -0.17 0.35 -1.40 0.00 0.00 179.01 177.78 2kbo h PHE 153 N 0.00 -0.44 0.00 4.33 3.04 0.34 0.84 116.94 125.04 2kbo h PHE 153 Ca 0.17 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.10 2kbo h PHE 153 Cb 1.57 0.15 0.00 0.00 2.56 0.00 0.00 35.95 40.23 2kbo h PHE 153 CO 0.00 -0.27 0.51 0.87 -2.02 0.00 0.00 178.31 177.40 2kbo h LYS 154 N -1.11 0.00 0.04 1.11 1.57 0.13 3.37 116.57 121.67 2kbo h LYS 154 Ca -0.05 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.45 2kbo h LYS 154 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2kbo h LYS 154 CO 0.08 0.00 -1.51 1.25 -0.57 0.00 0.00 179.45 178.70 2kbo h HIS 155 N 0.00 0.15 -0.70 -1.35 2.76 -1.07 -2.61 115.15 112.33 2kbo h HIS 155 Ca 0.00 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 2kbo h HIS 155 Cb 1.03 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.95 2kbo h HIS 155 CO 0.00 1.15 0.44 0.00 -1.30 0.00 0.00 177.93 178.23 2kbo n TRP 157 N -4.41 0.80 0.28 0.00 2.14 -0.97 -2.95 117.44 112.33 2kbo n TRP 157 Ca 0.07 0.19 0.15 0.00 2.07 0.00 0.00 57.50 59.98 2kbo n TRP 157 Cb 0.05 -1.10 0.82 0.00 -0.81 0.00 0.00 31.31 30.27 2kbo n TRP 157 CO 0.00 0.00 0.00 0.22 2.07 0.00 0.00 177.69 179.98 2kbo h ASP 158 N -0.09 0.00 0.03 -0.67 1.82 -1.43 1.28 116.42 117.36 2kbo h ASP 158 Ca -0.48 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 55.84 2kbo h ASP 158 Cb 1.92 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.89 2kbo h ASP 158 CO -0.01 0.00 -1.80 0.41 -1.61 0.00 0.00 179.24 176.23 2kbo n THR 159 N -2.69 1.60 -0.02 2.25 -1.04 0.02 -4.32 114.28 110.07 2kbo n THR 159 Ca -0.02 -0.30 -0.20 0.00 -2.04 0.00 0.00 64.05 61.48 2kbo n THR 159 Cb 0.22 -1.88 -0.14 0.00 -1.82 0.00 0.00 70.33 66.71 2kbo n THR 159 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2kbo n PHE 160 N -4.05 1.04 -2.41 -1.42 7.35 -0.72 -4.93 117.46 112.32 2kbo n PHE 160 Ca -0.38 0.23 -0.38 0.00 -0.76 0.00 0.00 57.45 56.16 2kbo n PHE 160 Cb 0.84 -1.14 -0.03 0.00 0.35 0.00 0.00 39.48 39.50 2kbo n PHE 160 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2kbo s VAL 161 N -2.55 3.39 0.00 -2.13 1.01 0.43 -4.86 120.40 115.69 2kbo s VAL 161 Ca -0.24 1.21 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2kbo s VAL 161 Cb 0.07 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2kbo s VAL 161 CO 0.75 0.15 0.49 -0.67 0.00 0.00 0.00 175.10 175.81 2kbo n ASP 162 N 0.39 1.43 -3.59 3.32 2.03 -1.26 -4.40 116.55 114.47 2kbo n ASP 162 Ca 0.03 -0.96 -0.11 0.00 0.52 0.00 0.00 54.79 54.27 2kbo n ASP 162 Cb 0.47 -0.25 -0.10 0.00 -0.72 0.00 0.00 41.12 40.51 2kbo n ASP 162 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2kbo s HIS 163 N 0.61 -0.66 -1.87 -0.67 3.76 -1.26 -5.00 115.29 110.20 2kbo s HIS 163 Ca 0.00 1.16 0.00 0.00 -0.15 0.00 0.00 55.06 56.07 2kbo s HIS 163 Cb 0.00 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.80 2kbo s HIS 163 CO 0.00 -0.50 0.22 1.04 -0.85 0.00 0.00 174.74 174.65 2kbo n GLN 164 N 5.37 0.23 -2.65 1.40 6.02 -1.26 -3.09 117.38 123.40 2kbo n GLN 164 Ca -0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.89 2kbo n GLN 164 Cb 0.50 -1.01 0.04 0.00 1.02 0.00 0.00 30.24 30.78 2kbo n GLN 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kbo n GLY 165 N -0.18 -1.29 3.61 1.08 0.00 -1.26 -4.67 105.19 102.48 2kbo n GLY 165 Ca 0.00 0.42 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 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 0.40 0.00 -4.34 0.00 -0.02 -1.26 -4.82 135.00 124.97 2kbo n PRO 167 Ca 0.09 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.36 2kbo n PRO 167 Cb 0.36 -0.99 -0.11 0.00 -0.02 0.00 0.00 33.50 32.74 2kbo n PRO 167 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2kbo s PHE 168 N 0.00 1.78 -0.02 6.00 2.19 -1.26 -5.15 117.98 121.52 2kbo s PHE 168 Ca 0.71 -0.50 0.01 0.00 0.33 0.00 0.00 56.93 57.49 2kbo s PHE 168 Cb -0.46 -0.87 0.01 0.00 -1.31 0.00 0.00 43.02 40.39 2kbo s PHE 168 CO 0.31 0.34 -0.04 -1.14 1.83 0.00 0.00 175.22 176.52 2kbo s GLN 169 N -3.04 0.47 0.08 10.12 0.74 -1.26 -5.14 119.66 121.63 2kbo s GLN 169 Ca 0.18 -0.12 -0.30 0.00 0.05 0.00 0.00 55.36 55.16 2kbo s GLN 169 Cb -0.04 -0.50 -0.05 0.00 1.10 0.00 0.00 33.01 33.52 2kbo s GLN 169 CO 0.07 0.03 1.07 -1.25 -0.55 0.00 0.00 175.29 174.65 2kbo s PRO 170 N 0.27 4.56 -0.02 1.67 0.04 -1.26 -5.05 135.00 135.22 2kbo s PRO 170 Ca -0.03 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2kbo s PRO 170 Cb -0.06 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2kbo s PRO 170 CO -0.00 -0.02 0.03 1.67 0.04 0.00 0.00 177.00 178.71 2kbo s TRP 171 N 0.52 3.17 0.00 0.56 -2.14 -1.26 -4.98 118.94 114.82 2kbo s TRP 171 Ca 0.52 0.15 0.00 0.00 2.66 0.00 0.00 56.10 59.43 2kbo s TRP 171 Cb -0.26 -1.72 0.00 0.00 -3.10 0.00 0.00 33.47 28.39 2kbo s TRP 171 CO 0.30 0.50 0.63 -3.47 -2.66 0.00 0.00 176.95 172.26 2kbo n ASP 172 N 1.47 1.75 -0.02 -2.66 2.03 -1.26 -2.15 116.55 115.71 2kbo n ASP 172 Ca -0.15 -1.25 -0.02 0.00 0.52 0.00 0.00 54.79 53.89 2kbo n ASP 172 Cb 0.53 -0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 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 1.38 -0.17 0.52 0.27 0.00 -1.26 -4.58 105.19 101.34 2kbo n GLY 173 Ca 0.00 -0.06 0.35 0.00 0.00 0.00 0.00 46.02 46.31 2kbo n GLY 173 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kbo h LEU 174 N 0.00 0.16 0.56 0.99 3.38 -1.86 0.11 115.31 118.65 2kbo h LEU 174 Ca -0.11 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2kbo h LEU 174 Cb 1.23 0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.02 2kbo h LEU 174 CO 0.00 -0.02 -0.27 -0.78 0.09 0.00 0.00 178.44 177.47 2kbo h ASP 175 N 0.11 -0.64 -0.19 -0.43 1.82 -1.81 -1.75 116.42 113.53 2kbo h ASP 175 Ca 0.68 0.02 0.05 0.00 -0.39 0.00 0.00 57.03 57.38 2kbo h ASP 175 Cb 2.36 0.17 -0.05 0.00 0.68 0.00 0.00 39.33 42.49 2kbo h ASP 175 CO -0.16 -0.41 -0.09 -0.08 -1.61 0.00 0.00 179.24 176.88 2kbo h GLU 176 N -0.84 -0.07 -0.10 0.28 4.81 -1.32 -1.99 114.58 115.35 2kbo h GLU 176 Ca -0.08 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2kbo h GLU 176 Cb 0.58 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2kbo h GLU 176 CO 0.13 -0.05 -0.25 0.45 -0.73 0.00 0.00 179.01 178.56 2kbo h HIS 177 N -0.07 -0.75 -0.75 0.92 3.86 -0.91 -1.96 115.15 115.49 2kbo h HIS 177 Ca 0.11 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.46 2kbo h HIS 177 Cb 0.23 0.34 -0.13 0.00 1.06 0.00 0.00 27.41 28.92 2kbo h HIS 177 CO -0.25 -0.24 -0.41 0.66 0.86 0.00 0.00 177.93 178.55 2kbo h SER 178 N -0.24 -1.44 -0.95 2.45 4.64 -1.16 0.23 113.55 117.07 2kbo h SER 178 Ca 0.02 0.27 0.21 0.00 -0.47 0.00 0.00 61.79 61.81 2kbo h SER 178 Cb 0.30 0.70 -0.18 0.00 -0.31 0.00 0.00 62.40 62.91 2kbo h SER 178 CO -0.22 -0.30 -0.17 1.67 -0.87 0.00 0.00 176.83 176.93 2kbo n GLN 179 N -5.42 -0.08 0.34 4.77 7.27 -0.76 0.81 117.38 124.31 2kbo n GLN 179 Ca 0.05 1.46 -0.14 0.00 0.07 0.00 0.00 57.00 58.44 2kbo n GLN 179 Cb 0.36 -2.21 -0.07 0.00 2.41 0.00 0.00 30.24 30.73 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 -0.76 0.46 1.69 3.58 -0.02 -0.43 116.42 120.94 2kbo h ASP 180 Ca 0.48 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.95 2kbo h ASP 180 Cb 0.81 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2kbo h ASP 180 CO -0.95 -0.46 -0.31 0.25 -2.88 0.00 0.00 179.24 174.89 2kbo h LEU 181 N -1.06 -0.80 0.03 2.28 6.46 -0.69 -1.82 115.31 119.71 2kbo h LEU 181 Ca -0.09 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2kbo h LEU 181 Cb 0.68 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 2kbo h LEU 181 CO 0.15 -0.48 -0.06 0.77 -0.62 0.00 0.00 178.44 178.20 2kbo h SER 182 N -0.75 -0.16 -1.60 1.25 4.64 0.30 0.46 113.55 117.69 2kbo h SER 182 Ca -0.05 0.02 0.50 0.00 -0.47 0.00 0.00 61.79 61.79 2kbo h SER 182 Cb 0.63 0.06 -0.11 0.00 -0.31 0.00 0.00 62.40 62.67 2kbo h SER 182 CO 0.03 -0.07 1.10 0.61 -0.87 0.00 0.00 176.83 177.63 2kbo n GLY 183 N -1.06 -0.87 0.02 -0.77 0.00 -0.17 -0.89 105.19 101.45 2kbo n GLY 183 Ca -0.01 0.70 -0.01 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.03 -0.89 1.61 2.47 -0.15 -1.11 114.38 116.29 2kbo h ARG 184 Ca 0.87 0.00 0.30 0.00 -1.26 0.00 0.00 59.98 59.89 2kbo h ARG 184 Cb 3.15 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 31.32 2kbo h ARG 184 CO -0.24 -0.02 0.22 -0.11 0.56 0.00 0.00 179.97 180.38 2kbo n LEU 185 N -2.43 0.08 0.14 3.04 7.94 0.14 0.22 117.00 126.13 2kbo n LEU 185 Ca -0.00 1.49 -0.07 0.00 -1.11 0.00 0.00 56.01 56.32 2kbo n LEU 185 Cb 0.01 -0.62 -0.04 0.00 0.53 0.00 0.00 43.42 43.31 2kbo n LEU 185 CO 0.01 -1.58 0.51 0.03 -1.11 0.00 0.00 177.39 175.25 2kbo h ARG 186 N 0.00 -0.40 -0.24 1.96 -0.00 -1.12 -2.66 114.38 111.92 2kbo h ARG 186 Ca 0.63 0.03 0.02 0.00 -0.50 0.00 0.00 59.98 60.16 2kbo h ARG 186 Cb 1.49 0.09 -0.03 0.00 0.00 0.00 0.00 29.97 31.52 2kbo h ARG 186 CO -0.77 -0.27 -0.19 0.00 0.00 0.00 0.00 179.97 178.74 2kbo h ALA 187 N -1.58 -0.31 -0.85 0.04 0.00 0.40 1.15 119.26 118.10 2kbo h ALA 187 Ca -0.03 0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.09 2kbo h ALA 187 Cb 0.34 1.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.97 2kbo h ALA 187 CO 0.02 -0.43 -0.09 -0.84 0.00 0.00 0.00 179.25 177.91 2kbo h ILE 188 N -0.06 0.18 0.28 0.00 -0.00 -0.19 0.93 117.51 118.65 2kbo h ILE 188 Ca 0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 64.86 64.87 2kbo h ILE 188 Cb 0.17 0.14 0.00 0.00 -0.00 0.00 0.00 36.82 37.13 2kbo h ILE 188 CO -0.26 0.01 -0.14 0.25 -0.00 0.00 0.00 178.15 178.01 2kbo h LEU 189 N 0.03 -0.32 -0.64 0.16 5.85 -0.92 -3.07 115.31 116.39 2kbo h LEU 189 Ca 0.45 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2kbo h LEU 189 Cb 0.79 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2kbo h LEU 189 CO -0.82 0.16 0.00 0.00 -0.34 0.00 0.00 178.44 177.44 2kbo n GLN 190 N -5.04 0.37 -2.29 1.25 1.13 0.39 -4.84 117.38 108.35 2kbo n GLN 190 Ca -0.08 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.87 2kbo n GLN 190 Cb 0.24 -1.12 0.01 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 0.02 -1.71 -4.61 1.08 5.15 0.31 -4.70 115.26 110.81 2kbo n ASN 191 Ca 0.00 -0.17 -0.43 0.00 -0.60 0.00 0.00 54.58 53.38 2kbo n ASN 191 Cb 0.06 -0.52 -0.03 0.00 -0.53 0.00 0.00 39.78 38.76 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 -1.72 3.52 0.81 1.20 2.00 -0.98 -4.98 119.66 119.52 2kbo s GLN 192 Ca 0.07 1.44 -0.08 0.00 -2.00 0.00 0.00 55.36 54.79 2kbo s GLN 192 Cb -0.01 -4.12 0.13 0.00 0.80 0.00 0.00 33.01 29.81 2kbo s GLN 192 CO 0.29 -1.63 0.29 0.39 -0.50 0.00 0.00 175.29 174.13 2kbo n GLU 193 N 8.14 -0.39 0.00 1.67 1.02 -1.26 -5.03 120.64 124.79 2kbo n GLU 193 Ca 0.21 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 2kbo n GLU 193 Cb 0.46 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 2kbo n GLU 193 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60