#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbo h MET 2 N 0.00 0.05 -4.18 -1.40 1.85 -2.10 -3.36 114.93 105.80 2kbo h MET 2 Ca 0.00 -0.04 -0.72 0.00 -0.61 0.00 0.00 59.70 58.34 2kbo h MET 2 Cb 0.00 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 31.97 2kbo h MET 2 CO 0.00 0.71 2.73 1.47 -0.40 0.00 0.00 176.91 181.42 2kbo n LEU 3 N -3.75 6.51 0.00 3.39 -0.00 -1.26 -4.93 117.00 116.96 2kbo n LEU 3 Ca -0.01 -4.22 0.01 0.00 -0.00 0.00 0.00 56.01 51.79 2kbo n LEU 3 Cb 0.67 -1.63 -0.00 0.00 -0.00 0.00 0.00 43.42 42.45 2kbo n LEU 3 CO 0.43 1.02 -0.02 0.54 -0.00 0.00 0.00 177.39 179.37 2kbo n ARG 4 N 5.95 -0.17 0.00 1.47 1.74 -1.26 -4.84 116.66 119.54 2kbo n ARG 4 Ca 0.49 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 2kbo n ARG 4 Cb 0.40 -0.21 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 2kbo n ARG 4 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 2kbo n HIS 5 N -1.12 0.00 0.00 -1.55 1.44 -1.26 -4.81 115.22 107.91 2kbo n HIS 5 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kbo n HIS 5 Cb 0.04 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.15 2kbo n HIS 5 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2kbo n SER 6 N 0.00 0.00 -3.37 4.39 2.88 -1.26 -4.99 113.62 111.27 2kbo n SER 6 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2kbo n SER 6 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2kbo n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbo s MET 7 N 0.00 0.09 0.00 -1.46 0.23 -1.26 -5.06 119.30 111.84 2kbo s MET 7 Ca 0.00 0.20 0.00 0.00 -1.03 0.00 0.00 55.69 54.86 2kbo s MET 7 Cb 0.00 0.09 0.00 0.00 -1.53 0.00 0.00 34.83 33.39 2kbo s MET 7 CO 0.00 -0.03 0.00 -3.47 -2.03 0.00 0.00 175.02 169.49 2kbo n ASP 8 N 4.14 0.00 -0.24 -1.18 2.03 -1.26 -5.00 116.55 115.04 2kbo n ASP 8 Ca -0.11 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.19 2kbo n ASP 8 Cb 0.55 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.06 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 0.00 0.70 0.15 -0.67 0.11 -1.97 -1.68 132.00 128.64 2kbo h PRO 9 Ca 0.00 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.79 2kbo h PRO 9 Cb 0.00 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 30.96 2kbo h PRO 9 CO 0.00 0.47 -1.32 -1.00 -0.21 0.00 0.00 178.00 175.93 2kbo h PRO 10 N 0.72 0.32 -0.86 1.05 0.13 -1.98 -3.36 132.00 128.03 2kbo h PRO 10 Ca 0.31 -0.55 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2kbo h PRO 10 Cb 0.18 0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.47 2kbo h PRO 10 CO -0.18 1.26 0.53 0.00 -0.23 0.00 0.00 178.00 179.38 2kbo h THR 11 N -0.20 1.23 -0.58 1.56 1.03 -1.94 0.28 112.91 114.29 2kbo h THR 11 Ca -0.26 -0.50 0.05 0.00 -0.01 0.00 0.00 66.41 65.69 2kbo h THR 11 Cb 1.83 0.01 -0.07 0.00 -1.07 0.00 0.00 68.15 68.86 2kbo h THR 11 CO 0.13 0.24 -0.34 0.33 -0.01 0.00 0.00 175.52 175.87 2kbo n PHE 12 N -4.37 -0.25 -0.09 0.00 -0.00 -0.63 -1.03 117.46 111.08 2kbo n PHE 12 Ca 0.09 0.72 -0.12 0.00 -0.00 0.00 0.00 57.45 58.15 2kbo n PHE 12 Cb 0.06 -0.52 -0.05 0.00 -0.00 0.00 0.00 39.48 38.97 2kbo n PHE 12 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2kbo n THR 13 N -4.40 1.47 -0.44 -2.13 -2.24 -1.17 -1.96 114.28 103.41 2kbo n THR 13 Ca 0.01 0.10 0.35 0.00 -2.27 0.00 0.00 64.05 62.23 2kbo n THR 13 Cb 0.15 -2.25 0.53 0.00 -2.10 0.00 0.00 70.33 66.66 2kbo n THR 13 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2kbo n PHE 14 N -4.52 0.00 0.00 4.78 7.35 0.08 -4.24 117.46 120.91 2kbo n PHE 14 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 2kbo n PHE 14 Cb 0.46 -0.32 0.00 0.00 0.35 0.00 0.00 39.48 39.97 2kbo n PHE 14 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2kbo n ASN 15 N -3.23 0.00 -2.03 -2.13 5.03 -0.20 -5.01 115.26 107.69 2kbo n ASN 15 Ca 0.29 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.61 2kbo n ASN 15 Cb 1.38 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 40.19 2kbo n ASN 15 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2kbo n PHE 16 N 0.00 1.89 0.00 3.10 3.72 -1.26 -4.96 117.46 119.96 2kbo n PHE 16 Ca 0.00 -2.02 0.00 0.00 -0.05 0.00 0.00 57.45 55.38 2kbo n PHE 16 Cb 0.00 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 2kbo n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kbo n ASN 17 N -0.67 0.00 0.00 4.37 4.05 -0.83 -4.38 115.26 117.80 2kbo n ASN 17 Ca 0.30 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.33 2kbo n ASN 17 Cb 0.90 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.91 2kbo n ASN 17 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2kbo n ASN 18 N 2.16 0.00 -3.92 1.20 3.02 -1.26 -4.76 115.26 111.71 2kbo n ASN 18 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 2kbo n ASN 18 Cb 0.00 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2kbo n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kbo n GLU 19 N 0.00 -0.69 -0.92 3.52 1.02 -1.26 -4.85 120.64 117.46 2kbo n GLU 19 Ca 0.00 0.23 -0.35 0.00 -0.02 0.00 0.00 57.16 57.02 2kbo n GLU 19 Cb 0.00 -3.21 0.07 0.00 -0.02 0.00 0.00 31.44 28.28 2kbo n GLU 19 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2kbo n PRO 20 N -4.69 -0.23 -1.34 3.49 -0.02 -1.26 -4.97 135.00 125.98 2kbo n PRO 20 Ca -0.11 -0.05 -0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2kbo n PRO 20 Cb 0.58 -1.29 -0.01 0.00 -0.02 0.00 0.00 33.50 32.76 2kbo n PRO 20 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2kbo n TRP 21 N -3.13 -0.00 -0.35 6.00 2.14 -1.26 -4.96 117.44 115.88 2kbo n TRP 21 Ca 0.00 -0.53 0.00 0.00 2.07 0.00 0.00 57.50 59.04 2kbo n TRP 21 Cb 0.59 0.11 0.05 0.00 -0.81 0.00 0.00 31.31 31.26 2kbo n TRP 21 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 2kbo n VAL 22 N 0.28 -0.47 -1.55 -1.67 0.31 -1.26 -4.41 118.33 109.56 2kbo n VAL 22 Ca -0.07 2.16 -0.30 0.00 -0.01 0.00 0.00 64.34 66.12 2kbo n VAL 22 Cb 0.97 -2.87 0.09 0.00 -0.91 0.00 0.00 33.84 31.11 2kbo n VAL 22 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2kbo s ARG 23 N -5.92 2.17 0.00 5.55 0.52 -1.26 -4.62 118.95 115.39 2kbo s ARG 23 Ca -0.13 0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 2kbo s ARG 23 Cb 0.20 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.74 2kbo s ARG 23 CO 0.67 -1.57 0.00 0.41 0.02 0.00 0.00 175.30 174.83 2kbo n GLY 24 N -2.06 1.69 7.00 -3.53 0.00 -1.26 -5.01 105.19 102.02 2kbo n GLY 24 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2kbo n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kbo n ARG 25 N 0.00 0.00 -1.55 1.61 0.63 -1.26 -4.16 116.66 111.94 2kbo n ARG 25 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 2kbo n ARG 25 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 2kbo n ARG 25 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2kbo n HIS 26 N 12.64 1.37 0.00 -0.14 -0.00 -1.26 -4.87 115.22 122.96 2kbo n HIS 26 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 2kbo n HIS 26 Cb 0.00 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.37 2kbo n HIS 26 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 2kbo n GLU 27 N 8.95 0.00 -1.89 1.57 0.00 -1.26 -4.92 120.64 123.10 2kbo n GLU 27 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.55 2kbo n GLU 27 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 31.44 31.80 2kbo n GLU 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2kbo n THR 28 N 0.00 -5.24 -0.60 3.84 -1.04 -1.26 -4.75 114.28 105.22 2kbo n THR 28 Ca 0.00 2.43 0.00 0.00 -2.04 0.00 0.00 64.05 64.44 2kbo n THR 28 Cb 0.00 -3.14 0.00 0.00 -1.82 0.00 0.00 70.33 65.37 2kbo n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kbo n TYR 29 N 0.50 0.00 -3.80 -1.42 9.36 -1.14 -4.82 117.16 115.85 2kbo n TYR 29 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2kbo n TYR 29 Cb 0.00 -1.35 0.00 0.00 -0.63 0.00 0.00 39.34 37.37 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 0.00 -0.04 0.15 2.98 0.05 -1.23 -4.81 118.68 115.78 2kbo s LEU 30 Ca 0.00 -0.30 0.08 0.00 0.05 0.00 0.00 54.13 53.96 2kbo s LEU 30 Cb 0.00 1.60 -0.04 0.00 -2.05 0.00 0.00 46.19 45.70 2kbo s LEU 30 CO 0.00 -0.51 -0.17 0.00 -0.55 0.00 0.00 176.35 175.12 2kbo s TYR 32 N -2.08 -0.65 -0.13 0.00 1.13 -1.08 -1.60 117.35 112.95 2kbo s TYR 32 Ca 0.14 1.37 0.01 0.00 -1.41 0.00 0.00 57.07 57.17 2kbo s TYR 32 Cb -0.05 0.30 0.02 0.00 -1.10 0.00 0.00 41.96 41.13 2kbo s TYR 32 CO 0.06 -0.36 -0.13 -1.21 -2.51 0.00 0.00 175.55 171.39 2kbo s GLU 33 N 1.42 2.13 -0.01 -3.49 2.02 0.24 -4.04 118.70 116.98 2kbo s GLU 33 Ca -0.10 -0.50 0.03 0.00 0.02 0.00 0.00 54.97 54.42 2kbo s GLU 33 Cb -0.08 -1.93 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 2kbo s GLU 33 CO -0.13 -0.18 -0.11 0.54 0.02 0.00 0.00 175.26 175.40 2kbo s VAL 34 N 1.35 0.86 0.17 2.63 0.11 -1.26 0.11 120.40 124.37 2kbo s VAL 34 Ca 0.01 -0.50 0.08 0.00 -2.93 0.00 0.00 61.98 58.65 2kbo s VAL 34 Cb -0.13 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2kbo s VAL 34 CO -0.07 0.22 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.23 2kbo s GLU 35 N -0.31 2.13 -0.01 1.54 2.02 -0.06 -4.84 118.70 119.17 2kbo s GLU 35 Ca 0.04 -1.20 0.07 0.00 0.02 0.00 0.00 54.97 53.90 2kbo s GLU 35 Cb -0.04 -2.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 2kbo s GLU 35 CO -0.00 0.45 -0.21 -0.98 0.02 0.00 0.00 175.26 174.54 2kbo s ARG 36 N -2.75 2.17 -0.03 1.61 1.70 -1.26 -1.51 118.95 118.89 2kbo s ARG 36 Ca 0.25 -0.90 -0.01 0.00 -0.47 0.00 0.00 55.73 54.60 2kbo s ARG 36 Cb -0.09 -2.16 -0.04 0.00 -0.57 0.00 0.00 34.95 32.09 2kbo s ARG 36 CO 0.15 0.57 0.05 -1.64 -1.08 0.00 0.00 175.30 173.35 2kbo s MET 37 N -0.89 3.00 -0.35 3.89 -1.94 0.16 -1.49 119.30 121.68 2kbo s MET 37 Ca 0.12 -0.48 0.01 0.00 -1.71 0.00 0.00 55.69 53.63 2kbo s MET 37 Cb -0.10 -2.82 0.10 0.00 2.01 0.00 0.00 34.83 34.01 2kbo s MET 37 CO 0.01 0.66 0.09 -1.58 -0.01 0.00 0.00 175.02 174.19 2kbo s HIS 38 N -1.09 3.66 0.00 -0.03 2.46 -0.09 -2.67 115.29 117.52 2kbo s HIS 38 Ca 0.20 -2.72 0.00 0.00 0.47 0.00 0.00 55.06 53.00 2kbo s HIS 38 Cb -0.12 -2.92 0.00 0.00 -0.13 0.00 0.00 32.58 29.41 2kbo s HIS 38 CO 0.10 -0.95 0.00 -1.71 -2.47 0.00 0.00 174.74 169.71 2kbo n ASN 39 N 4.39 -1.58 -0.01 9.88 2.85 -1.25 -2.49 115.26 127.05 2kbo n ASN 39 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2kbo n ASN 39 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 2kbo n ASN 39 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kbo n ASP 40 N -1.97 0.00 -4.05 1.20 9.92 -1.26 -4.55 116.55 115.85 2kbo n ASP 40 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 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 -1.64 0.46 0.20 -3.53 -1.32 -1.04 -5.17 115.64 103.60 2kbo s THR 41 Ca 0.00 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.55 2kbo s THR 41 Cb 0.00 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.44 2kbo s THR 41 CO 0.00 0.00 0.06 -1.66 -2.21 0.00 0.00 174.62 170.81 2kbo s TRP 42 N -3.50 2.93 0.14 9.09 -2.14 -1.26 -0.91 118.94 123.29 2kbo s TRP 42 Ca 0.34 -0.12 0.07 0.00 2.66 0.00 0.00 56.10 59.05 2kbo s TRP 42 Cb 0.05 -1.38 -0.04 0.00 -3.10 0.00 0.00 33.47 28.99 2kbo s TRP 42 CO 0.17 0.53 -0.16 0.08 -2.66 0.00 0.00 176.95 174.91 2kbo s VAL 43 N -1.89 1.56 -0.34 -0.66 1.01 -0.55 -4.72 120.40 114.81 2kbo s VAL 43 Ca 0.30 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.48 2kbo s VAL 43 Cb -0.09 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 34.71 2kbo s VAL 43 CO 0.21 -0.36 0.06 -0.76 0.00 0.00 0.00 175.10 174.25 2kbo s LEU 44 N -2.53 4.53 1.02 3.92 2.01 -1.26 -4.18 118.68 122.19 2kbo s LEU 44 Ca 0.12 -1.81 -0.23 0.00 0.01 0.00 0.00 54.13 52.23 2kbo s LEU 44 Cb -0.05 -1.70 -0.06 0.00 0.01 0.00 0.00 46.19 44.39 2kbo s LEU 44 CO 0.05 -0.38 -0.82 0.00 1.01 0.00 0.00 176.35 176.21 2kbo n LEU 45 N 4.47 -2.63 -3.50 1.79 -0.00 -1.26 -4.98 117.00 110.89 2kbo n LEU 45 Ca -0.04 -0.07 -0.29 0.00 -0.00 0.00 0.00 56.01 55.60 2kbo n LEU 45 Cb 0.42 -0.68 -0.13 0.00 -0.00 0.00 0.00 43.42 43.03 2kbo n LEU 45 CO 0.26 -2.72 -0.32 0.21 -0.00 0.00 0.00 177.39 174.82 2kbo s ASN 46 N -1.36 3.16 0.00 1.45 3.04 -1.26 -5.10 114.94 114.87 2kbo s ASN 46 Ca 0.42 -2.01 0.00 0.00 0.04 0.00 0.00 52.86 51.31 2kbo s ASN 46 Cb 0.01 -0.44 0.00 0.00 -1.54 0.00 0.00 41.25 39.29 2kbo s ASN 46 CO 0.61 -0.34 0.00 0.00 -3.04 0.00 0.00 177.10 174.33 2kbo n GLN 47 N 4.29 0.00 0.00 0.43 10.64 -1.26 -5.17 117.38 126.31 2kbo n GLN 47 Ca 0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 2kbo n GLN 47 Cb 0.38 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.76 2kbo n GLN 47 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2kbo n ARG 48 N 0.00 3.56 -3.64 2.61 1.74 -1.26 -5.13 116.66 114.54 2kbo n ARG 48 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 2kbo n ARG 48 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 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 2.95 0.56 0.00 5.56 1.70 -1.26 -5.06 118.95 123.40 2kbo s ARG 49 Ca 0.00 1.42 0.00 0.00 -0.47 0.00 0.00 55.73 56.68 2kbo s ARG 49 Cb 0.00 0.83 0.00 0.00 -0.57 0.00 0.00 34.95 35.21 2kbo s ARG 49 CO 0.00 -0.21 0.00 0.41 -1.08 0.00 0.00 175.30 174.42 2kbo n GLY 50 N 5.45 1.06 3.64 3.88 0.00 -1.26 -4.89 105.19 113.07 2kbo n GLY 50 Ca -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.66 -0.49 -0.17 1.61 5.36 -0.99 -2.62 117.98 117.02 2kbo s PHE 51 Ca 0.00 1.04 -0.03 0.00 -0.96 0.00 0.00 56.93 56.99 2kbo s PHE 51 Cb 0.00 0.34 -0.02 0.00 -0.34 0.00 0.00 43.02 43.01 2kbo s PHE 51 CO 0.00 -0.24 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.94 2kbo s LEU 52 N 0.92 2.94 -0.04 6.12 2.01 -1.26 -3.56 118.68 125.82 2kbo s LEU 52 Ca -0.04 -0.29 -0.01 0.00 0.01 0.00 0.00 54.13 53.79 2kbo s LEU 52 Cb -0.04 -1.71 0.03 0.00 0.01 0.00 0.00 46.19 44.48 2kbo s LEU 52 CO -0.12 0.10 0.08 0.00 1.01 0.00 0.00 176.35 177.41 2kbo s ASN 54 N 0.80 -0.29 0.32 0.00 4.22 -1.26 -2.87 114.94 115.86 2kbo s ASN 54 Ca -0.06 0.19 -0.27 0.00 -2.14 0.00 0.00 52.86 50.58 2kbo s ASN 54 Cb -0.09 1.25 -0.10 0.00 1.28 0.00 0.00 41.25 43.59 2kbo s ASN 54 CO -0.03 -0.05 0.97 -1.10 -2.04 0.00 0.00 177.10 174.85 2kbo s GLN 55 N 2.93 4.57 0.05 3.55 -1.52 -1.26 -5.06 119.66 122.93 2kbo s GLN 55 Ca -0.05 1.42 -0.09 0.00 -1.95 0.00 0.00 55.36 54.69 2kbo s GLN 55 Cb -0.09 -2.87 0.00 0.00 -0.22 0.00 0.00 33.01 29.83 2kbo s GLN 55 CO -0.10 0.25 0.20 0.00 -0.25 0.00 0.00 175.29 175.39 2kbo s ALA 56 N -1.51 -0.34 -0.08 6.09 0.00 -1.26 -5.03 121.76 119.63 2kbo s ALA 56 Ca 0.49 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2kbo s ALA 56 Cb -0.21 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2kbo s ALA 56 CO 0.27 -0.40 0.78 -0.35 0.00 0.00 0.00 175.76 176.06 2kbo n PRO 57 N 0.48 0.82 -0.05 0.00 -0.04 -1.26 -3.24 135.00 131.71 2kbo n PRO 57 Ca -0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.23 2kbo n PRO 57 Cb 0.60 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.88 2kbo n PRO 57 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2kbo n HIS 58 N 0.55 0.00 -1.66 0.54 -0.00 -1.26 -5.00 115.22 108.39 2kbo n HIS 58 Ca 0.00 0.00 -0.56 0.00 0.46 0.00 0.00 57.72 57.62 2kbo n HIS 58 Cb 0.39 -0.43 -0.07 0.00 -0.12 0.00 0.00 29.99 29.76 2kbo n HIS 58 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kbo n LYS 59 N -2.50 1.02 -0.44 1.57 4.76 -1.20 -4.72 118.16 116.65 2kbo n LYS 59 Ca -0.16 0.37 0.35 0.00 -2.87 0.00 0.00 58.31 56.00 2kbo n LYS 59 Cb 0.76 -2.02 0.57 0.00 -1.84 0.00 0.00 35.03 32.49 2kbo n LYS 59 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2kbo n HIS 60 N 4.05 0.29 -4.00 2.13 8.25 -1.26 -4.21 115.22 120.48 2kbo n HIS 60 Ca 0.23 0.29 -0.11 0.00 -0.26 0.00 0.00 57.72 57.87 2kbo n HIS 60 Cb 0.14 -0.68 -0.12 0.00 1.12 0.00 0.00 29.99 30.44 2kbo n HIS 60 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2kbo s GLY 61 N -3.81 0.26 -0.28 -1.41 0.00 -1.26 -5.13 107.32 95.69 2kbo s GLY 61 Ca -0.05 -0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.06 2kbo s GLY 61 CO 0.65 -0.51 0.33 -0.11 0.00 0.00 0.00 173.10 173.46 2kbo s PHE 62 N -0.99 3.24 0.44 1.90 -0.12 -1.26 -5.03 117.98 116.16 2kbo s PHE 62 Ca -0.09 0.31 0.07 0.00 -0.05 0.00 0.00 56.93 57.16 2kbo s PHE 62 Cb -0.07 -2.54 -0.03 0.00 -0.63 0.00 0.00 43.02 39.76 2kbo s PHE 62 CO -0.00 -0.23 0.26 -0.51 -0.05 0.00 0.00 175.22 174.68 2kbo s LEU 63 N 1.99 3.05 0.00 -1.99 1.43 -1.26 -5.13 118.68 116.78 2kbo s LEU 63 Ca 0.13 -1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 52.13 2kbo s LEU 63 Cb -0.16 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.62 2kbo s LEU 63 CO 0.10 -0.69 0.12 -1.84 0.23 0.00 0.00 176.35 174.28 2kbo n GLU 64 N -1.40 -1.91 -3.02 1.70 0.00 -1.26 -4.88 120.64 109.86 2kbo n GLU 64 Ca -0.01 -0.20 -0.44 0.00 0.00 0.00 0.00 57.16 56.51 2kbo n GLU 64 Cb 0.64 -0.23 -0.00 0.00 0.00 0.00 0.00 31.44 31.85 2kbo n GLU 64 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2kbo s GLY 65 N -2.40 2.53 -0.07 -1.84 0.00 -1.26 -5.00 107.32 99.29 2kbo s GLY 65 Ca 0.09 -3.41 -0.30 0.00 0.00 0.00 0.00 44.72 41.10 2kbo s GLY 65 CO 0.07 1.92 1.76 0.50 0.00 0.00 0.00 173.10 177.35 2kbo s ARG 66 N 1.14 4.05 0.23 2.90 0.52 -1.26 -4.99 118.95 121.54 2kbo s ARG 66 Ca 0.40 2.21 -0.03 0.00 -0.52 0.00 0.00 55.73 57.78 2kbo s ARG 66 Cb -0.04 -4.06 -0.05 0.00 0.52 0.00 0.00 34.95 31.32 2kbo s ARG 66 CO -0.02 -1.02 0.46 -1.01 0.02 0.00 0.00 175.30 173.73 2kbo s HIS 67 N 4.58 3.48 0.27 -0.53 3.76 -1.26 -4.79 115.29 120.80 2kbo s HIS 67 Ca 0.78 0.51 0.21 0.00 -0.15 0.00 0.00 55.06 56.41 2kbo s HIS 67 Cb -0.34 -1.99 0.91 0.00 1.11 0.00 0.00 32.58 32.27 2kbo s HIS 67 CO 0.33 0.30 0.92 0.00 -0.85 0.00 0.00 174.74 175.44 2kbo n ALA 68 N -0.67 0.88 0.30 -1.40 0.00 -1.26 0.80 120.51 119.15 2kbo n ALA 68 Ca -0.03 0.49 -0.12 0.00 0.00 0.00 0.00 53.44 53.77 2kbo n ALA 68 Cb 0.54 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.76 0.00 0.00 9.09 -1.93 -2.40 114.58 118.58 2kbo h GLU 69 Ca 0.53 0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.99 2kbo h GLU 69 Cb 1.80 0.17 0.00 0.00 -1.65 0.00 0.00 28.75 29.07 2kbo h GLU 69 CO -0.22 -0.50 0.00 -0.07 0.05 0.00 0.00 179.01 178.27 2kbo h LEU 70 N -0.79 0.00 0.49 3.06 -0.00 0.10 -2.79 115.31 115.39 2kbo h LEU 70 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.78 2kbo h LEU 70 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 2kbo h LEU 70 CO 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 178.44 178.30 2kbo h PHE 72 N -0.68 1.03 -1.70 0.00 -5.15 -1.48 0.24 116.94 109.19 2kbo h PHE 72 Ca -0.07 -0.05 0.49 0.00 -0.20 0.00 0.00 57.97 58.15 2kbo h PHE 72 Cb 0.53 -0.32 -0.07 0.00 0.22 0.00 0.00 35.95 36.31 2kbo h PHE 72 CO 0.08 0.76 1.37 -0.11 -2.00 0.00 0.00 178.31 178.41 2kbo n LEU 73 N -4.43 0.00 0.03 2.10 7.94 -1.06 0.37 117.00 121.96 2kbo n LEU 73 Ca 0.06 0.92 0.07 0.00 -1.11 0.00 0.00 56.01 55.95 2kbo n LEU 73 Cb 0.13 -0.42 -0.09 0.00 0.53 0.00 0.00 43.42 43.56 2kbo n LEU 73 CO 0.39 -0.92 -0.42 -0.67 -1.11 0.00 0.00 177.39 174.65 2kbo n ASP 74 N -3.71 0.50 -0.04 1.96 2.03 0.79 -4.43 116.55 113.64 2kbo n ASP 74 Ca 0.38 0.20 -0.14 0.00 0.52 0.00 0.00 54.79 55.76 2kbo n ASP 74 Cb 1.88 0.94 -0.11 0.00 -0.72 0.00 0.00 41.12 43.11 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 1.60 -0.89 5.18 3.04 0.71 -3.28 116.25 122.61 2kbo h VAL 75 Ca -0.09 -1.77 0.15 0.00 -1.01 0.00 0.00 66.70 63.98 2kbo h VAL 75 Cb 1.25 2.80 -0.15 0.00 -2.01 0.00 0.00 31.29 33.18 2kbo h VAL 75 CO 0.01 0.46 -0.30 -0.38 -1.01 0.00 0.00 177.57 176.35 2kbo n ILE 76 N -4.71 -0.44 0.40 3.17 2.08 -0.79 0.36 119.36 119.44 2kbo n ILE 76 Ca -0.09 2.06 0.07 0.00 0.56 0.00 0.00 62.75 65.35 2kbo n ILE 76 Cb 0.38 -2.77 0.33 0.00 -0.75 0.00 0.00 39.64 36.83 2kbo n ILE 76 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kbo n PRO 77 N -5.35 0.05 -0.05 0.38 -0.04 -1.25 -2.75 135.00 125.99 2kbo n PRO 77 Ca 0.11 0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2kbo n PRO 77 Cb 0.38 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 2kbo n PRO 77 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2kbo h PHE 78 N 0.00 0.33 0.00 0.54 3.57 0.63 -2.83 116.94 119.18 2kbo h PHE 78 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2kbo h PHE 78 Cb 0.24 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.90 2kbo h PHE 78 CO 0.00 0.61 0.00 -1.49 -2.23 0.00 0.00 178.31 175.20 2kbo h TRP 79 N -0.05 0.00 -5.91 0.41 6.55 -1.36 -3.47 115.95 112.11 2kbo h TRP 79 Ca 0.03 0.00 -0.37 0.00 0.95 0.00 0.00 58.89 59.50 2kbo h TRP 79 Cb 0.53 0.00 0.11 0.00 -0.86 0.00 0.00 29.16 28.94 2kbo h TRP 79 CO 0.06 0.00 -0.86 1.63 -1.05 0.00 0.00 178.44 178.22 2kbo n LYS 80 N -2.90 -3.42 0.00 0.49 5.02 -1.07 -5.00 118.16 111.28 2kbo n LYS 80 Ca 0.02 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 2kbo n LYS 80 Cb 0.37 -5.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 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 -3.96 0.00 0.00 -0.35 4.32 -1.26 -5.09 117.00 110.65 2kbo n LEU 81 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 2kbo n LEU 81 Cb 0.64 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 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 0.96 -0.03 -1.43 9.92 -1.26 -5.08 116.55 119.64 2kbo n ASP 82 Ca 0.00 -0.28 -0.21 0.00 -0.53 0.00 0.00 54.79 53.77 2kbo n ASP 82 Cb 0.00 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 2kbo n ASP 82 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2kbo n LEU 83 N 0.00 2.67 0.32 0.64 0.00 -1.26 -4.07 117.00 115.30 2kbo n LEU 83 Ca 0.00 0.15 0.20 0.00 0.00 0.00 0.00 56.01 56.36 2kbo n LEU 83 Cb 0.00 -1.07 1.06 0.00 0.00 0.00 0.00 43.42 43.41 2kbo n LEU 83 CO 0.00 0.84 1.16 -0.78 0.00 0.00 0.00 177.39 178.62 2kbo h ASP 84 N -0.00 0.00 -4.92 1.96 1.82 -1.98 -3.42 116.42 109.88 2kbo h ASP 84 Ca -0.46 0.00 -0.39 0.00 -0.39 0.00 0.00 57.03 55.80 2kbo h ASP 84 Cb 1.97 0.00 0.09 0.00 0.68 0.00 0.00 39.33 42.07 2kbo h ASP 84 CO 0.03 0.00 0.14 0.00 -1.61 0.00 0.00 179.24 177.81 2kbo n GLN 85 N -3.12 -0.20 -4.10 0.28 6.02 -1.26 -3.80 117.38 111.20 2kbo n GLN 85 Ca -0.02 -2.21 -0.13 0.00 -0.01 0.00 0.00 57.00 54.62 2kbo n GLN 85 Cb 0.18 -0.67 -0.06 0.00 1.02 0.00 0.00 30.24 30.72 2kbo n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2kbo s ASP 86 N -4.58 0.63 -0.05 1.08 1.11 -1.09 -4.83 116.67 108.94 2kbo s ASP 86 Ca 0.58 -1.37 -0.02 0.00 0.18 0.00 0.00 52.55 51.92 2kbo s ASP 86 Cb -0.03 0.59 0.03 0.00 1.07 0.00 0.00 42.92 44.58 2kbo s ASP 86 CO 0.39 -1.17 0.05 -0.31 1.18 0.00 0.00 175.17 175.31 2kbo s TYR 87 N -3.49 0.15 -0.78 4.23 2.02 -1.26 0.35 117.35 118.57 2kbo s TYR 87 Ca 0.31 0.18 -0.10 0.00 -0.37 0.00 0.00 57.07 57.09 2kbo s TYR 87 Cb 0.01 -0.53 0.20 0.00 -0.40 0.00 0.00 41.96 41.24 2kbo s TYR 87 CO 0.17 -0.22 0.68 1.03 -1.57 0.00 0.00 175.55 175.64 2kbo s ARG 88 N 2.14 3.29 0.31 -0.62 0.52 -0.57 -2.92 118.95 121.10 2kbo s ARG 88 Ca 0.05 -2.57 -0.14 0.00 -0.52 0.00 0.00 55.73 52.55 2kbo s ARG 88 Cb -0.12 -4.19 -0.09 0.00 0.52 0.00 0.00 34.95 31.07 2kbo s ARG 88 CO -0.04 -1.25 0.71 0.08 0.02 0.00 0.00 175.30 174.83 2kbo s VAL 89 N -0.06 4.71 -0.13 3.52 1.01 0.04 -0.88 120.40 128.61 2kbo s VAL 89 Ca 0.19 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 2kbo s VAL 89 Cb -0.13 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.70 2kbo s VAL 89 CO -0.07 -0.17 0.16 -0.89 0.00 0.00 0.00 175.10 174.12 2kbo s THR 90 N -1.96 -0.24 -0.16 3.92 2.01 0.31 -1.26 115.64 118.26 2kbo s THR 90 Ca 0.53 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.59 2kbo s THR 90 Cb -0.10 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2kbo s THR 90 CO 0.18 -0.03 0.12 0.00 -0.69 0.00 0.00 174.62 174.20 2kbo s PHE 92 N -0.34 3.67 0.24 0.00 0.08 -0.63 -0.76 117.98 120.24 2kbo s PHE 92 Ca 0.11 -2.87 -0.00 0.00 0.12 0.00 0.00 56.93 54.29 2kbo s PHE 92 Cb -0.12 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.58 2kbo s PHE 92 CO 0.01 -0.94 0.22 0.99 -0.10 0.00 0.00 175.22 175.40 2kbo s THR 93 N 0.94 0.00 -0.43 0.64 2.01 -0.78 -0.75 115.64 117.28 2kbo s THR 93 Ca 0.07 -1.93 0.23 0.00 0.31 0.00 0.00 61.69 60.37 2kbo s THR 93 Cb -0.19 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.82 2kbo s THR 93 CO -0.07 0.00 1.12 -1.54 -0.69 0.00 0.00 174.62 173.44 2kbo n SER 94 N -0.65 0.74 -4.32 3.53 3.41 -1.26 -3.09 113.62 111.98 2kbo n SER 94 Ca 0.03 0.16 -0.26 0.00 -0.26 0.00 0.00 58.87 58.54 2kbo n SER 94 Cb 0.64 0.44 -0.13 0.00 -0.26 0.00 0.00 64.21 64.91 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 -3.27 1.97 0.00 7.33 1.48 -1.26 -1.26 118.94 123.92 2kbo s TRP 95 Ca 0.02 -0.40 0.00 0.00 -1.06 0.00 0.00 56.10 54.66 2kbo s TRP 95 Cb 0.12 -1.09 0.00 0.00 -1.16 0.00 0.00 33.47 31.34 2kbo s TRP 95 CO 0.77 0.23 0.00 0.45 -4.06 0.00 0.00 176.95 174.34 2kbo n SER 96 N 1.14 -0.36 -2.06 -2.66 2.88 -1.26 -4.80 113.62 106.50 2kbo n SER 96 Ca -0.19 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 2kbo n SER 96 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2kbo n SER 96 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2kbo n PRO 97 N -1.12 3.30 -3.71 -1.46 -0.04 -1.26 -5.06 135.00 125.65 2kbo n PRO 97 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2kbo n PRO 97 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.26 -0.08 -0.03 0.00 -1.74 -1.26 0.10 117.46 114.71 2kbo n PHE 99 Ca -0.17 0.80 -0.02 0.00 -0.56 0.00 0.00 57.45 57.49 2kbo n PHE 99 Cb 0.61 -0.68 -0.01 0.00 1.52 0.00 0.00 39.48 40.92 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 -1.00 5.98 0.02 -1.97 -2.92 113.55 113.66 2kbo h SER 100 Ca 0.19 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.43 2kbo h SER 100 Cb 0.35 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 2kbo h SER 100 CO -0.63 0.37 1.18 0.00 -1.14 0.00 0.00 176.83 176.60 2kbo h ALA 102 N 0.58 0.18 0.58 0.00 0.00 0.50 -3.01 119.26 118.09 2kbo h ALA 102 Ca 0.48 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kbo h ALA 102 Cb 2.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.60 2kbo h ALA 102 CO -0.01 0.41 -0.51 1.96 0.00 0.00 0.00 179.25 181.11 2kbo h GLN 103 N 0.12 -1.03 -0.76 0.00 4.20 0.53 0.58 115.11 118.75 2kbo h GLN 103 Ca -0.05 0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.80 2kbo h GLN 103 Cb 1.22 0.23 -0.09 0.00 0.30 0.00 0.00 27.48 29.15 2kbo h GLN 103 CO 0.12 -0.69 -0.45 0.39 -0.67 0.00 0.00 178.83 177.53 2kbo n GLU 104 N -5.59 -0.33 0.00 1.46 -0.58 -0.85 -0.12 120.64 114.63 2kbo n GLU 104 Ca -0.13 1.16 -0.00 0.00 -0.42 0.00 0.00 57.16 57.77 2kbo n GLU 104 Cb 0.48 -1.71 -0.00 0.00 -0.57 0.00 0.00 31.44 29.64 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 -0.01 -0.56 3.49 4.05 -1.31 -2.85 114.93 117.74 2kbo h MET 105 Ca 0.12 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.65 2kbo h MET 105 Cb 0.31 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.01 2kbo h MET 105 CO -0.71 -0.01 -0.16 0.00 0.23 0.00 0.00 176.91 176.26 2kbo n ALA 106 N -2.16 0.09 -0.14 0.39 0.00 0.20 0.06 120.51 118.95 2kbo n ALA 106 Ca -0.00 0.60 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2kbo n ALA 106 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.52 0.00 5.02 0.83 0.29 118.16 118.89 2kbo n LYS 107 Ca 0.08 0.72 0.40 0.00 -2.02 0.00 0.00 58.31 57.49 2kbo n LYS 107 Cb 0.27 -1.43 0.62 0.00 -0.02 0.00 0.00 35.03 34.46 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 -2.33 0.06 0.00 2.13 3.01 0.11 0.15 117.46 120.59 2kbo n PHE 108 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.52 2kbo n PHE 108 Cb 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.02 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 -3.56 0.00 -0.37 4.37 -0.00 0.17 -2.80 119.36 117.17 2kbo n ILE 109 Ca 0.34 0.45 0.31 0.00 -0.00 0.00 0.00 62.75 63.85 2kbo n ILE 109 Cb 1.51 -1.39 0.63 0.00 -0.00 0.00 0.00 39.64 40.39 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 0.24 0.27 4.38 4.64 0.57 1.08 113.55 124.74 2kbo h SER 110 Ca 0.00 0.07 -0.23 0.00 -0.47 0.00 0.00 61.79 61.16 2kbo h SER 110 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2kbo h SER 110 CO 0.00 -0.01 -0.93 0.11 -0.87 0.00 0.00 176.83 175.14 2kbo h LYS 111 N 0.18 0.46 -2.63 4.77 1.79 0.13 -3.39 116.57 117.87 2kbo h LYS 111 Ca 0.66 -0.47 -0.60 0.00 -2.18 0.00 0.00 60.65 58.06 2kbo h LYS 111 Cb 2.11 0.13 -0.39 0.00 -1.58 0.00 0.00 32.23 32.50 2kbo h LYS 111 CO -0.22 1.12 -0.84 -0.80 -1.08 0.00 0.00 179.45 177.63 2kbo s ASN 112 N -7.09 2.65 0.00 0.86 -0.87 0.36 -4.95 114.94 105.89 2kbo s ASN 112 Ca -0.06 -2.97 0.00 0.00 -1.57 0.00 0.00 52.86 48.25 2kbo s ASN 112 Cb 0.09 -0.74 0.00 0.00 -0.02 0.00 0.00 41.25 40.58 2kbo s ASN 112 CO 0.87 -0.20 0.41 0.29 -2.57 0.00 0.00 177.10 175.90 2kbo n LYS 113 N 3.02 0.00 0.00 -0.60 4.01 -0.28 -2.39 118.16 121.91 2kbo n LYS 113 Ca 0.21 0.01 0.02 0.00 -0.51 0.00 0.00 58.31 58.05 2kbo n LYS 113 Cb 0.41 -1.50 0.13 0.00 -0.51 0.00 0.00 35.03 33.56 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 -0.91 0.00 -4.42 2.13 1.44 -1.26 -4.69 115.22 107.51 2kbo n HIS 114 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 2kbo n HIS 114 Cb 0.00 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.00 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 3.04 -0.29 0.61 1.01 -1.01 -4.13 120.40 117.63 2kbo s VAL 115 Ca 0.07 -1.27 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 2kbo s VAL 115 Cb 0.03 -2.36 0.10 0.00 0.00 0.00 0.00 36.38 34.15 2kbo s VAL 115 CO 0.05 0.21 0.11 -0.44 0.00 0.00 0.00 175.10 175.03 2kbo s SER 116 N -1.86 3.74 -0.09 3.32 0.01 -1.15 -4.96 113.70 112.72 2kbo s SER 116 Ca 0.18 -1.43 -0.13 0.00 1.31 0.00 0.00 55.95 55.87 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 0.09 -0.42 0.31 -0.76 0.41 0.00 0.00 173.24 172.88 2kbo s LEU 117 N 1.83 4.36 -0.47 2.44 2.01 -1.26 -0.78 118.68 126.81 2kbo s LEU 117 Ca 0.09 0.68 0.03 0.00 0.01 0.00 0.00 54.13 54.94 2kbo s LEU 117 Cb -0.17 -2.41 0.13 0.00 0.01 0.00 0.00 46.19 43.75 2kbo s LEU 117 CO -0.29 0.23 0.22 0.00 1.01 0.00 0.00 176.35 177.53 2kbo s ILE 119 N 0.11 5.08 -0.39 0.00 1.01 0.67 -1.45 121.20 126.24 2kbo s ILE 119 Ca 0.16 1.32 -0.02 0.00 0.00 0.00 0.00 60.65 62.11 2kbo s ILE 119 Cb -0.24 -3.98 0.10 0.00 0.01 0.00 0.00 42.46 38.34 2kbo s ILE 119 CO -0.02 0.26 0.17 -0.36 0.00 0.00 0.00 174.94 174.99 2kbo s PHE 120 N 0.85 3.56 -0.09 3.97 0.08 0.06 0.12 117.98 126.53 2kbo s PHE 120 Ca 0.34 -2.39 0.02 0.00 0.12 0.00 0.00 56.93 55.02 2kbo s PHE 120 Cb -0.17 -3.07 -0.02 0.00 -0.57 0.00 0.00 43.02 39.19 2kbo s PHE 120 CO 0.16 -0.95 -0.14 -0.08 -0.10 0.00 0.00 175.22 174.11 2kbo s THR 121 N 1.14 3.03 0.00 0.64 -1.32 -0.88 -1.87 115.64 116.38 2kbo s THR 121 Ca 0.07 -0.70 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 2kbo s THR 121 Cb -0.22 -2.22 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 2kbo s THR 121 CO -0.04 0.56 0.37 0.00 -2.21 0.00 0.00 174.62 173.30 2kbo n ALA 122 N 2.90 -0.16 -3.33 11.08 0.00 -0.91 -1.61 120.51 128.47 2kbo n ALA 122 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 2kbo n ALA 122 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.53 0.71 -0.10 0.00 1.70 -0.39 -4.43 118.95 114.91 2kbo s ARG 123 Ca 0.00 0.16 -0.00 0.00 -0.47 0.00 0.00 55.73 55.42 2kbo s ARG 123 Cb 0.00 0.33 0.02 0.00 -0.57 0.00 0.00 34.95 34.73 2kbo s ARG 123 CO 0.00 -0.18 -0.07 0.96 -1.08 0.00 0.00 175.30 174.93 2kbo s ILE 124 N -0.81 0.97 -0.36 4.99 -4.36 -1.26 -4.43 121.20 115.93 2kbo s ILE 124 Ca -0.09 -0.27 0.01 0.00 -0.26 0.00 0.00 60.65 60.04 2kbo s ILE 124 Cb -0.03 -0.99 0.10 0.00 1.25 0.00 0.00 42.46 42.79 2kbo s ILE 124 CO 0.04 0.35 0.11 -0.31 0.24 0.00 0.00 174.94 175.37 2kbo s TYR 125 N 1.62 3.63 0.00 1.37 1.51 -1.26 -4.56 117.35 119.66 2kbo s TYR 125 Ca 0.03 -2.64 0.00 0.00 -1.01 0.00 0.00 57.07 53.45 2kbo s TYR 125 Cb -0.13 -2.95 0.00 0.00 -0.11 0.00 0.00 41.96 38.77 2kbo s TYR 125 CO -0.07 -0.95 0.00 -0.25 -1.11 0.00 0.00 175.55 173.18 2kbo n ASP 126 N 4.43 0.77 -1.28 2.29 9.92 -1.26 -5.03 116.55 126.40 2kbo n ASP 126 Ca -0.01 -0.55 0.09 0.00 -0.53 0.00 0.00 54.79 53.79 2kbo n ASP 126 Cb 0.42 0.00 0.30 0.00 -0.64 0.00 0.00 41.12 41.20 2kbo n ASP 126 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2kbo n ASP 127 N -1.22 4.26 -2.40 -2.24 9.92 -1.26 -5.01 116.55 118.58 2kbo n ASP 127 Ca 0.00 -2.46 -0.03 0.00 -0.53 0.00 0.00 54.79 51.78 2kbo n ASP 127 Cb 0.00 -0.50 -0.02 0.00 -0.64 0.00 0.00 41.12 39.95 2kbo n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kbo n GLN 128 N 0.72 -3.25 -4.03 -1.24 6.02 -1.26 -5.07 117.38 109.27 2kbo n GLN 128 Ca 0.22 2.61 -0.12 0.00 -0.01 0.00 0.00 57.00 59.69 2kbo n GLN 128 Cb 0.80 -4.33 -0.12 0.00 1.02 0.00 0.00 30.24 27.61 2kbo n GLN 128 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2kbo s GLY 129 N -0.87 0.29 0.00 1.08 0.00 -1.26 -5.00 107.32 101.56 2kbo s GLY 129 Ca -0.13 -0.46 0.06 0.00 0.00 0.00 0.00 44.72 44.18 2kbo s GLY 129 CO 0.63 -0.49 0.73 -0.96 0.00 0.00 0.00 173.10 173.00 2kbo n ARG 130 N 2.12 0.25 0.00 2.90 1.85 -1.26 -2.66 116.66 119.86 2kbo n ARG 130 Ca -0.19 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.71 2kbo n ARG 130 Cb 0.56 -1.35 0.30 0.00 -1.05 0.00 0.00 32.46 30.92 2kbo n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kbo n GLN 132 N -1.15 0.00 -0.05 0.00 10.64 -1.09 -3.69 117.38 122.03 2kbo n GLN 132 Ca 0.07 0.35 -0.01 0.00 -1.83 0.00 0.00 57.00 55.58 2kbo n GLN 132 Cb 0.06 -1.61 -0.01 0.00 -0.86 0.00 0.00 30.24 27.82 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 -1.35 -0.05 0.04 2.61 0.28 -1.18 -0.22 120.64 120.77 2kbo n GLU 133 Ca 0.00 0.69 -0.13 0.00 -0.16 0.00 0.00 57.16 57.56 2kbo n GLU 133 Cb 0.11 -1.03 -0.06 0.00 1.43 0.00 0.00 31.44 31.89 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 -0.72 -0.32 -1.84 0.00 -1.59 -1.43 103.07 97.17 2kbo h GLY 134 Ca 0.02 0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.88 2kbo h GLY 134 CO -0.12 -0.24 -0.19 -0.10 0.00 0.00 0.00 176.54 175.90 2kbo n LEU 135 N -5.44 -0.34 0.29 3.11 0.00 0.70 0.32 117.00 115.64 2kbo n LEU 135 Ca -0.05 0.92 0.16 0.00 0.00 0.00 0.00 56.01 57.03 2kbo n LEU 135 Cb 0.36 -0.25 0.90 0.00 0.00 0.00 0.00 43.42 44.43 2kbo n LEU 135 CO 0.15 -0.64 1.08 -0.09 0.00 0.00 0.00 177.39 177.89 2kbo h ARG 136 N 0.00 0.00 0.01 1.96 1.12 -1.06 -0.95 114.38 115.46 2kbo h ARG 136 Ca 0.05 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.92 2kbo h ARG 136 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.09 2kbo h ARG 136 CO -0.30 0.04 -0.00 1.15 -3.11 0.00 0.00 179.97 177.75 2kbo h THR 137 N 0.00 0.87 0.00 0.20 2.02 0.64 -2.26 112.91 114.38 2kbo h THR 137 Ca -0.00 -1.63 -0.04 0.00 0.77 0.00 0.00 66.41 65.52 2kbo h THR 137 Cb 0.14 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2kbo h THR 137 CO 0.01 0.29 -0.17 0.17 0.37 0.00 0.00 175.52 176.18 2kbo h LEU 138 N -0.99 0.00 0.01 2.58 -0.00 0.44 1.50 115.31 118.85 2kbo h LEU 138 Ca -0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.64 2kbo h LEU 138 Cb 0.49 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.17 2kbo h LEU 138 CO 0.00 0.17 -0.94 0.00 -0.00 0.00 0.00 178.44 177.68 2kbo h ALA 139 N 1.83 0.11 0.14 0.17 0.00 -1.28 0.74 119.26 120.96 2kbo h ALA 139 Ca -0.00 -0.67 -0.35 0.00 0.00 0.00 0.00 54.91 53.89 2kbo h ALA 139 Cb 0.60 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2kbo h ALA 139 CO 0.02 0.59 -1.85 0.93 0.00 0.00 0.00 179.25 178.95 2kbo h GLU 140 N 0.26 0.29 -0.34 0.00 4.39 -1.19 -3.27 114.58 114.71 2kbo h GLU 140 Ca -0.12 -0.49 0.10 0.00 0.34 0.00 0.00 59.36 59.19 2kbo h GLU 140 Cb 1.61 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 30.43 2kbo h GLU 140 CO 0.18 1.18 0.36 0.00 -1.16 0.00 0.00 179.01 179.58 2kbo h ALA 141 N 0.21 2.03 0.00 3.43 0.00 0.20 -3.43 119.26 121.70 2kbo h ALA 141 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kbo h ALA 141 Cb 2.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2kbo h ALA 141 CO 0.13 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2kbo n GLY 142 N -1.47 0.03 3.64 0.00 0.00 -1.21 -4.04 105.19 102.14 2kbo n GLY 142 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 3.60 -0.57 4.61 0.00 0.26 -4.27 121.76 125.39 2kbo s ALA 143 Ca 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 51.96 51.51 2kbo s ALA 143 Cb 0.00 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2kbo s ALA 143 CO 0.00 -1.07 1.12 0.15 0.00 0.00 0.00 175.76 175.96 2kbo s LYS 144 N 2.99 3.47 0.12 0.00 1.02 0.12 -4.23 119.74 123.23 2kbo s LYS 144 Ca 0.36 0.12 -0.09 0.00 0.02 0.00 0.00 55.97 56.38 2kbo s LYS 144 Cb -0.15 -4.02 -0.06 0.00 -0.52 0.00 0.00 37.83 33.08 2kbo s LYS 144 CO 0.09 -1.62 0.42 0.42 -0.92 0.00 0.00 175.35 173.74 2kbo s ILE 145 N 4.67 5.08 -0.02 2.17 -1.09 -1.26 -0.23 121.20 130.51 2kbo s ILE 145 Ca 0.40 0.37 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 2kbo s ILE 145 Cb -0.09 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2kbo s ILE 145 CO 0.24 0.18 0.01 -0.94 -1.23 0.00 0.00 174.94 173.19 2kbo s SER 146 N -2.00 0.25 -0.51 3.58 1.04 0.12 -4.90 113.70 111.28 2kbo s SER 146 Ca 0.37 -0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.56 2kbo s SER 146 Cb -0.13 -0.13 0.04 0.00 0.10 0.00 0.00 66.02 65.89 2kbo s SER 146 CO 0.20 -0.09 0.89 -0.63 0.98 0.00 0.00 173.24 174.59 2kbo s ILE 147 N 0.83 4.49 -0.62 -1.02 1.09 -1.26 -2.08 121.20 122.63 2kbo s ILE 147 Ca -0.08 0.34 -0.27 0.00 -1.10 0.00 0.00 60.65 59.54 2kbo s ILE 147 Cb -0.11 -4.46 -0.02 0.00 -1.06 0.00 0.00 42.46 36.81 2kbo s ILE 147 CO -0.02 -0.97 1.81 -0.32 -0.10 0.00 0.00 174.94 175.35 2kbo s MET 148 N 3.69 2.67 0.54 2.79 1.75 -0.63 -4.92 119.30 125.19 2kbo s MET 148 Ca 0.30 0.54 0.09 0.00 -1.25 0.00 0.00 55.69 55.37 2kbo s MET 148 Cb -0.12 -4.37 0.09 0.00 2.84 0.00 0.00 34.83 33.26 2kbo s MET 148 CO 0.21 -2.69 0.75 0.25 -0.65 0.00 0.00 175.02 172.88 2kbo n THR 149 N 7.15 0.00 -0.11 10.11 -2.24 -1.26 -4.71 114.28 123.22 2kbo n THR 149 Ca 0.19 -1.82 -0.03 0.00 -2.27 0.00 0.00 64.05 60.12 2kbo n THR 149 Cb 0.52 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 2kbo n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kbo n TYR 150 N -2.18 -0.12 0.12 4.78 4.11 -1.26 0.24 117.16 122.86 2kbo n TYR 150 Ca 0.15 0.33 -0.15 0.00 -0.00 0.00 0.00 57.90 58.23 2kbo n TYR 150 Cb 0.56 -0.42 -0.08 0.00 -0.00 0.00 0.00 39.34 39.39 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 -1.40 0.00 9.48 4.64 -1.99 0.48 113.55 124.76 2kbo h SER 151 Ca 0.04 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2kbo h SER 151 Cb 0.11 0.52 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2kbo h SER 151 CO -0.25 -0.53 0.13 -0.33 -0.87 0.00 0.00 176.83 174.98 2kbo h GLU 152 N -0.72 0.00 0.00 4.77 4.39 -1.23 -1.76 114.58 120.04 2kbo h GLU 152 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2kbo h GLU 152 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2kbo h GLU 152 CO -0.26 0.00 0.00 0.34 -1.16 0.00 0.00 179.01 177.93 2kbo n PHE 153 N -2.44 0.00 0.28 4.33 7.35 0.67 -0.97 117.46 126.68 2kbo n PHE 153 Ca -0.02 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.74 2kbo n PHE 153 Cb 0.17 -0.38 0.35 0.00 0.35 0.00 0.00 39.48 39.98 2kbo n PHE 153 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 2kbo h LYS 154 N 0.00 0.00 0.12 -4.13 3.11 -1.05 3.14 116.57 117.75 2kbo h LYS 154 Ca 0.00 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.60 2kbo h LYS 154 Cb 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.26 2kbo h LYS 154 CO 0.00 0.00 -1.02 1.25 -2.81 0.00 0.00 179.45 176.87 2kbo h HIS 155 N 0.00 0.80 -0.22 1.91 2.76 -1.29 -2.70 115.15 116.41 2kbo h HIS 155 Ca 0.00 -0.52 0.06 0.00 -2.20 0.00 0.00 60.37 57.71 2kbo h HIS 155 Cb 1.19 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 2kbo h HIS 155 CO 0.00 1.38 0.31 0.00 -1.30 0.00 0.00 177.93 178.32 2kbo h TRP 157 N 0.00 0.00 0.00 0.00 6.55 -1.40 -3.21 115.95 117.89 2kbo h TRP 157 Ca 0.10 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.94 2kbo h TRP 157 Cb 0.73 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.03 2kbo h TRP 157 CO 0.00 0.00 0.54 0.22 -1.05 0.00 0.00 178.44 178.15 2kbo h ASP 158 N -0.79 0.00 0.15 -3.49 1.82 -1.01 2.17 116.42 115.27 2kbo h ASP 158 Ca 0.00 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.31 2kbo h ASP 158 Cb 0.06 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.07 2kbo h ASP 158 CO 0.00 0.00 -1.68 0.74 -1.61 0.00 0.00 179.24 176.69 2kbo h THR 159 N 0.00 0.91 -0.00 2.25 2.02 -0.80 -3.40 112.91 113.88 2kbo h THR 159 Ca 0.00 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.74 2kbo h THR 159 Cb 1.09 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 2kbo h THR 159 CO 0.00 0.81 -0.11 0.33 0.37 0.00 0.00 175.52 176.92 2kbo n PHE 160 N -3.70 0.00 -3.82 3.16 7.35 0.11 -4.98 117.46 115.59 2kbo n PHE 160 Ca -0.26 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.06 2kbo n PHE 160 Cb 1.01 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.78 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 -0.95 5.41 -0.10 -2.13 1.01 0.69 -4.94 120.40 119.40 2kbo s VAL 161 Ca 0.05 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2kbo s VAL 161 Cb 0.05 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2kbo s VAL 161 CO 0.14 0.54 0.59 -0.67 0.00 0.00 0.00 175.10 175.70 2kbo n ASP 162 N 1.70 1.73 -3.33 3.32 2.03 -1.26 -4.38 116.55 116.36 2kbo n ASP 162 Ca -0.17 -1.23 -0.07 0.00 0.52 0.00 0.00 54.79 53.84 2kbo n ASP 162 Cb 0.54 -0.31 -0.07 0.00 -0.72 0.00 0.00 41.12 40.56 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 0.25 -0.97 -1.79 -0.67 3.76 -1.26 -4.99 115.29 109.62 2kbo s HIS 163 Ca 0.00 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.95 2kbo s HIS 163 Cb 0.00 0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.83 2kbo s HIS 163 CO 0.00 -0.73 0.51 1.04 -0.85 0.00 0.00 174.74 174.71 2kbo n GLN 164 N 5.38 0.57 -2.72 1.40 6.02 -1.26 -2.69 117.38 124.08 2kbo n GLN 164 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.90 2kbo n GLN 164 Cb 0.50 -1.06 0.07 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 0.10 1.63 3.41 1.08 0.00 -1.26 -4.80 105.19 105.36 2kbo n GLY 165 Ca 0.00 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 0.16 0.79 -1.26 0.00 -0.04 -1.26 -4.87 135.00 128.51 2kbo n PRO 167 Ca 0.10 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.24 2kbo n PRO 167 Cb 0.48 -1.22 0.10 0.00 -0.04 0.00 0.00 33.50 32.83 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 -2.00 2.18 0.05 0.54 2.19 -1.26 -5.05 117.98 114.62 2kbo s PHE 168 Ca 0.16 1.63 -0.00 0.00 0.33 0.00 0.00 56.93 59.05 2kbo s PHE 168 Cb 0.08 -3.27 -0.04 0.00 -1.31 0.00 0.00 43.02 38.47 2kbo s PHE 168 CO 0.13 -2.28 -0.03 -0.65 1.83 0.00 0.00 175.22 174.21 2kbo s GLN 169 N -4.38 0.56 -0.03 10.12 -0.21 -1.26 -5.00 119.66 119.46 2kbo s GLN 169 Ca 0.68 -1.09 -0.22 0.00 0.02 0.00 0.00 55.36 54.75 2kbo s GLN 169 Cb -0.23 0.14 -0.05 0.00 1.00 0.00 0.00 33.01 33.87 2kbo s GLN 169 CO 0.50 -0.08 0.66 -1.25 -2.12 0.00 0.00 175.29 173.00 2kbo s PRO 170 N -3.33 4.40 0.29 2.91 0.04 -1.26 -5.05 135.00 132.99 2kbo s PRO 170 Ca 0.02 0.83 -0.05 0.00 0.04 0.00 0.00 61.00 61.84 2kbo s PRO 170 Cb 0.03 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 2kbo s PRO 170 CO -0.07 0.23 0.55 1.67 0.04 0.00 0.00 177.00 179.41 2kbo s TRP 171 N 0.26 3.48 0.00 0.56 -2.14 -1.26 -4.93 118.94 114.90 2kbo s TRP 171 Ca 0.35 0.64 -0.01 0.00 2.66 0.00 0.00 56.10 59.73 2kbo s TRP 171 Cb -0.18 -2.10 -0.04 0.00 -3.10 0.00 0.00 33.47 28.05 2kbo s TRP 171 CO 0.18 0.18 1.17 -0.25 -2.66 0.00 0.00 176.95 175.56 2kbo n ASP 172 N -0.93 2.25 0.00 -2.66 9.92 -1.26 -2.22 116.55 121.64 2kbo n ASP 172 Ca -0.02 -1.70 0.00 0.00 -0.53 0.00 0.00 54.79 52.54 2kbo n ASP 172 Cb 0.54 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 2kbo n ASP 172 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kbo n GLY 173 N 2.12 0.00 0.63 0.44 0.00 -1.26 -4.74 105.19 102.37 2kbo n GLY 173 Ca 0.06 0.00 0.48 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.44 0.05 0.19 0.99 4.77 -0.94 0.00 117.00 120.61 2kbo n LEU 174 Ca 0.00 1.06 -0.07 0.00 -0.03 0.00 0.00 56.01 56.96 2kbo n LEU 174 Cb 0.22 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2kbo n LEU 174 CO 0.00 -1.09 0.51 -2.24 -1.33 0.00 0.00 177.39 173.24 2kbo h ASP 175 N 0.00 -0.40 -0.31 -1.43 2.03 -1.85 0.33 116.42 114.79 2kbo h ASP 175 Ca 0.89 0.01 0.07 0.00 -0.73 0.00 0.00 57.03 57.28 2kbo h ASP 175 Cb 3.42 0.10 -0.07 0.00 -0.83 0.00 0.00 39.33 41.95 2kbo h ASP 175 CO -0.12 -0.28 -0.17 -0.08 -1.03 0.00 0.00 179.24 177.56 2kbo h GLU 176 N -0.48 -0.12 -0.47 4.15 4.81 -0.75 -0.60 114.58 121.13 2kbo h GLU 176 Ca -0.05 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 2kbo h GLU 176 Cb 0.36 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.68 2kbo h GLU 176 CO 0.08 -0.08 -0.04 0.45 -0.73 0.00 0.00 179.01 178.69 2kbo h HIS 177 N -0.12 -0.11 0.07 0.92 3.86 -1.20 -2.07 115.15 116.50 2kbo h HIS 177 Ca 0.16 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2kbo h HIS 177 Cb 0.37 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 2kbo h HIS 177 CO -0.37 -0.14 -0.28 1.03 0.86 0.00 0.00 177.93 179.02 2kbo h SER 178 N 0.07 -0.85 -0.76 2.45 0.87 0.11 -0.63 113.55 114.82 2kbo h SER 178 Ca 0.24 0.09 0.25 0.00 -1.23 0.00 0.00 61.79 61.14 2kbo h SER 178 Cb 0.36 0.31 -0.14 0.00 -0.44 0.00 0.00 62.40 62.49 2kbo h SER 178 CO -0.43 -0.30 0.18 1.67 -0.53 0.00 0.00 176.83 177.42 2kbo n GLN 179 N -4.06 -0.05 0.09 2.24 7.27 -0.46 0.13 117.38 122.54 2kbo n GLN 179 Ca -0.05 1.09 -0.04 0.00 0.07 0.00 0.00 57.00 58.08 2kbo n GLN 179 Cb 0.22 -1.83 -0.02 0.00 2.41 0.00 0.00 30.24 31.02 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 -0.20 0.34 1.69 3.58 -0.48 0.97 116.42 122.31 2kbo h ASP 180 Ca 0.54 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.98 2kbo h ASP 180 Cb 1.26 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.36 2kbo h ASP 180 CO -0.66 -0.13 -0.20 0.25 -2.88 0.00 0.00 179.24 175.63 2kbo h LEU 181 N -0.27 -0.49 0.07 2.28 6.46 -0.05 -1.71 115.31 121.60 2kbo h LEU 181 Ca -0.02 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kbo h LEU 181 Cb 0.18 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2kbo h LEU 181 CO 0.04 -0.32 -0.04 -1.28 -0.62 0.00 0.00 178.44 176.23 2kbo h SER 182 N -0.51 -0.09 -1.76 1.25 0.87 0.10 0.60 113.55 114.02 2kbo h SER 182 Ca -0.04 0.00 0.51 0.00 -1.23 0.00 0.00 61.79 61.04 2kbo h SER 182 Cb 0.41 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 2kbo h SER 182 CO 0.04 -0.06 1.27 0.61 -0.53 0.00 0.00 176.83 178.16 2kbo n GLY 183 N -1.05 -0.88 0.03 5.77 0.00 0.34 -0.27 105.19 109.12 2kbo n GLY 183 Ca -0.01 0.62 -0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 -0.91 1.61 2.47 -0.67 -1.95 114.38 114.92 2kbo h ARG 184 Ca 0.84 0.00 0.33 0.00 -1.26 0.00 0.00 59.98 59.89 2kbo h ARG 184 Cb 3.37 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 31.52 2kbo h ARG 184 CO -0.01 0.00 0.31 -0.11 0.56 0.00 0.00 179.97 180.72 2kbo n LEU 185 N -3.39 0.16 0.13 3.04 7.94 0.20 0.21 117.00 125.29 2kbo n LEU 185 Ca -0.00 1.53 -0.06 0.00 -1.11 0.00 0.00 56.01 56.37 2kbo n LEU 185 Cb 0.02 -0.67 -0.03 0.00 0.53 0.00 0.00 43.42 43.27 2kbo n LEU 185 CO 0.01 -1.65 0.51 0.03 -1.11 0.00 0.00 177.39 175.17 2kbo h ARG 186 N 0.00 -0.34 -0.45 1.96 -0.00 -0.92 -2.10 114.38 112.53 2kbo h ARG 186 Ca 0.69 0.02 0.04 0.00 -0.50 0.00 0.00 59.98 60.24 2kbo h ARG 186 Cb 1.71 0.08 -0.06 0.00 0.00 0.00 0.00 29.97 31.70 2kbo h ARG 186 CO -0.76 -0.22 -0.29 0.00 0.00 0.00 0.00 179.97 178.69 2kbo h ALA 187 N -1.77 -0.31 -0.72 0.04 0.00 0.32 1.42 119.26 118.26 2kbo h ALA 187 Ca -0.03 0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.09 2kbo h ALA 187 Cb 0.27 1.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 2kbo h ALA 187 CO 0.05 -0.50 0.06 -0.84 0.00 0.00 0.00 179.25 178.01 2kbo h ILE 188 N -0.03 0.43 0.41 0.00 -0.00 0.21 -0.62 117.51 117.91 2kbo h ILE 188 Ca 0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 64.86 64.86 2kbo h ILE 188 Cb 0.21 0.26 0.00 0.00 -0.00 0.00 0.00 36.82 37.30 2kbo h ILE 188 CO -0.44 0.03 -0.20 0.25 -0.00 0.00 0.00 178.15 177.80 2kbo h LEU 189 N 0.16 -0.46 -0.68 0.16 5.85 -0.34 -3.07 115.31 116.93 2kbo h LEU 189 Ca 0.39 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2kbo h LEU 189 Cb 0.68 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2kbo h LEU 189 CO -0.58 -0.04 0.00 0.00 -0.34 0.00 0.00 178.44 177.48 2kbo n GLN 190 N -5.16 0.09 -2.98 1.25 6.02 0.47 -4.74 117.38 112.33 2kbo n GLN 190 Ca -0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.75 2kbo n GLN 190 Cb 0.28 -1.03 -0.04 0.00 1.02 0.00 0.00 30.24 30.47 2kbo n GLN 190 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2kbo n ASN 191 N 0.15 -0.21 -4.53 1.08 6.94 -0.30 -4.61 115.26 113.79 2kbo n ASN 191 Ca 0.00 -0.52 -0.40 0.00 -0.02 0.00 0.00 54.58 53.65 2kbo n ASN 191 Cb 0.01 -0.65 -0.06 0.00 -2.36 0.00 0.00 39.78 36.72 2kbo n ASN 191 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2kbo n GLN 192 N -2.19 0.89 -0.35 -3.83 0.00 -1.03 -4.91 117.38 105.95 2kbo n GLN 192 Ca -0.04 0.07 -0.09 0.00 -0.00 0.00 0.00 57.00 56.95 2kbo n GLN 192 Cb 0.23 -2.88 0.09 0.00 0.00 0.00 0.00 30.24 27.68 2kbo n GLN 192 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2kbo n GLU 193 N 8.78 -0.57 0.00 3.69 1.02 -1.26 -5.01 120.64 127.28 2kbo n GLU 193 Ca 0.43 -0.43 0.03 0.00 -0.02 0.00 0.00 57.16 57.18 2kbo n GLU 193 Cb 0.39 -0.94 0.18 0.00 -0.02 0.00 0.00 31.44 31.05 2kbo n GLU 193 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60