#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 -0.55 0.24 -0.41 -0.00 -1.26 -4.76 117.12 110.38 2kbo n MET 2 Ca 0.00 0.02 0.13 0.00 -0.00 0.00 0.00 57.70 57.86 2kbo n MET 2 Cb 0.00 -0.41 0.45 0.00 -0.00 0.00 0.00 33.22 33.26 2kbo n MET 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2kbo h LEU 3 N 0.92 0.00 0.00 3.17 3.38 -2.07 -3.42 115.31 117.29 2kbo h LEU 3 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2kbo h LEU 3 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kbo h LEU 3 CO 0.11 0.08 0.00 -1.14 0.09 0.00 0.00 178.44 177.59 2kbo n ARG 4 N -3.17 0.00 -2.82 1.13 0.63 -1.26 -4.72 116.66 106.45 2kbo n ARG 4 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2kbo n ARG 4 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 2kbo n ARG 4 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2kbo n HIS 5 N 0.00 0.00 -1.70 -0.14 8.25 -1.26 -4.58 115.22 115.79 2kbo n HIS 5 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2kbo n HIS 5 Cb 0.00 -0.89 -0.01 0.00 1.12 0.00 0.00 29.99 30.22 2kbo n HIS 5 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kbo n SER 6 N 1.71 -2.10 -4.43 0.41 3.41 -1.26 -4.96 113.62 106.39 2kbo n SER 6 Ca 0.00 0.24 -0.38 0.00 -0.26 0.00 0.00 58.87 58.48 2kbo n SER 6 Cb 0.28 -1.77 0.04 0.00 -0.26 0.00 0.00 64.21 62.50 2kbo n SER 6 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2kbo n MET 7 N 0.25 0.40 0.00 4.33 0.00 -1.26 -4.73 117.12 116.11 2kbo n MET 7 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.81 2kbo n MET 7 Cb 0.08 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 31.66 2kbo n MET 7 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2kbo n ASP 8 N 0.59 0.00 -0.26 3.17 2.03 -1.26 -5.01 116.55 115.80 2kbo n ASP 8 Ca 0.11 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.41 2kbo n ASP 8 Cb 0.48 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.76 0.05 -0.67 0.11 -1.84 -0.60 132.00 129.80 2kbo h PRO 9 Ca 0.00 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 65.83 2kbo h PRO 9 Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 2kbo h PRO 9 CO 0.00 0.50 -1.06 -1.00 -0.21 0.00 0.00 178.00 176.23 2kbo h PRO 10 N 0.78 0.17 0.00 1.05 0.13 -1.95 -3.26 132.00 128.93 2kbo h PRO 10 Ca 0.32 -0.25 -0.14 0.00 -0.87 0.00 0.00 66.00 65.06 2kbo h PRO 10 Cb 0.18 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 2kbo h PRO 10 CO -0.18 1.08 -0.69 0.00 -0.23 0.00 0.00 178.00 177.98 2kbo h THR 11 N 0.06 1.21 0.00 1.56 1.03 -1.93 -3.22 112.91 111.63 2kbo h THR 11 Ca -0.07 -2.65 -0.02 0.00 -0.01 0.00 0.00 66.41 63.67 2kbo h THR 11 Cb 1.77 2.56 -0.00 0.00 -1.07 0.00 0.00 68.15 71.41 2kbo h THR 11 CO 0.16 0.68 -0.09 0.15 -0.01 0.00 0.00 175.52 176.41 2kbo h PHE 12 N 0.00 0.00 0.00 0.00 3.57 -1.19 -3.04 116.94 116.28 2kbo h PHE 12 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2kbo h PHE 12 Cb 1.50 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 2kbo h PHE 12 CO 0.00 0.09 -0.33 0.00 -2.23 0.00 0.00 178.31 175.84 2kbo h THR 13 N 0.00 0.82 -0.35 4.41 1.03 -1.59 -2.97 112.91 114.25 2kbo h THR 13 Ca -0.00 -1.38 0.10 0.00 -0.01 0.00 0.00 66.41 65.13 2kbo h THR 13 Cb 0.83 1.85 -0.01 0.00 -1.07 0.00 0.00 68.15 69.75 2kbo h THR 13 CO 0.01 0.32 0.58 -0.26 -0.01 0.00 0.00 175.52 176.17 2kbo h PHE 14 N 0.00 0.00 0.00 0.00 0.04 -1.67 -3.43 116.94 111.88 2kbo h PHE 14 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kbo h PHE 14 Cb 0.83 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.98 2kbo h PHE 14 CO 0.00 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.80 2kbo n ASN 15 N -3.30 0.00 -0.57 2.17 5.03 -1.13 -2.57 115.26 114.89 2kbo n ASN 15 Ca 0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.51 2kbo n ASN 15 Cb 0.72 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.48 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 0.00 0.00 3.10 3.01 -1.26 -4.89 117.46 117.42 2kbo n PHE 16 Ca 0.00 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.43 2kbo n PHE 16 Cb 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 2kbo n PHE 16 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2kbo n ASN 17 N 0.36 0.00 0.00 4.37 5.15 -1.06 -4.79 115.26 119.29 2kbo n ASN 17 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2kbo n ASN 17 Cb 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 2kbo n ASN 17 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2kbo n ASN 18 N 6.69 0.00 -3.45 1.20 5.15 -1.26 -4.85 115.26 118.75 2kbo n ASN 18 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 2kbo n ASN 18 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 2kbo n ASN 18 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2kbo n GLU 19 N 0.00 3.26 0.00 1.20 0.00 -1.26 -4.94 120.64 118.90 2kbo n GLU 19 Ca 0.00 -4.70 0.00 0.00 0.00 0.00 0.00 57.16 52.46 2kbo n GLU 19 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 31.44 29.12 2kbo n GLU 19 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 2kbo n PRO 20 N 0.64 0.00 0.00 5.31 -0.02 -1.26 -4.34 135.00 135.33 2kbo n PRO 20 Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2kbo n PRO 20 Cb 0.38 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 2kbo n PRO 20 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2kbo n TRP 21 N 0.95 0.00 0.00 6.00 8.01 -1.26 -5.07 117.44 126.07 2kbo n TRP 21 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2kbo n TRP 21 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 2kbo n TRP 21 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 2kbo n VAL 22 N 0.00 0.00 -2.25 -0.99 0.31 -1.26 -5.07 118.33 109.07 2kbo n VAL 22 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 2kbo n VAL 22 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.72 4.45 0.00 5.55 0.52 -1.26 -4.74 118.95 122.74 2kbo s ARG 23 Ca 0.00 2.06 0.00 0.00 -0.52 0.00 0.00 55.73 57.27 2kbo s ARG 23 Cb 0.00 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.34 2kbo s ARG 23 CO 0.00 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.65 2kbo n GLY 24 N 1.23 0.09 5.23 -3.53 0.00 -1.25 -4.99 105.19 101.97 2kbo n GLY 24 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2kbo n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbo n ARG 25 N 0.00 0.00 -0.01 1.61 1.74 -1.26 -1.70 116.66 117.03 2kbo n ARG 25 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 2kbo n ARG 25 Cb 0.01 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.37 2kbo n ARG 25 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kbo h HIS 26 N 0.00 0.98 -3.05 -1.55 3.86 -1.97 -3.44 115.15 109.98 2kbo h HIS 26 Ca 0.00 -0.46 -0.61 0.00 -1.16 0.00 0.00 60.37 58.14 2kbo h HIS 26 Cb 0.00 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 28.26 2kbo h HIS 26 CO 0.00 1.28 -0.26 -2.00 0.86 0.00 0.00 177.93 177.82 2kbo s GLU 27 N -3.63 3.96 0.23 2.45 2.12 -0.69 -2.86 118.70 120.28 2kbo s GLU 27 Ca -0.11 0.28 -0.15 0.00 0.36 0.00 0.00 54.97 55.35 2kbo s GLU 27 Cb 0.07 -3.28 0.06 0.00 0.26 0.00 0.00 34.13 31.24 2kbo s GLU 27 CO 0.89 0.56 0.76 -2.37 -0.54 0.00 0.00 175.26 174.56 2kbo n THR 28 N 2.38 0.00 0.00 -1.70 5.66 -1.26 -3.76 114.28 115.59 2kbo n THR 28 Ca -0.14 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 2kbo n THR 28 Cb 0.52 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 2kbo n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kbo n TYR 29 N -0.52 0.00 -2.25 1.09 0.18 -1.26 -4.11 117.16 110.28 2kbo n TYR 29 Ca -0.04 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.40 2kbo n TYR 29 Cb 0.48 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.43 2kbo n TYR 29 CO 0.00 0.00 0.00 -0.48 -2.08 0.00 0.00 176.86 174.30 2kbo s LEU 30 N 0.00 3.64 0.01 -3.48 0.05 -1.26 -5.00 118.68 112.63 2kbo s LEU 30 Ca 0.00 1.85 -0.09 0.00 0.05 0.00 0.00 54.13 55.94 2kbo s LEU 30 Cb 0.00 -4.54 -0.05 0.00 -2.05 0.00 0.00 46.19 39.55 2kbo s LEU 30 CO 0.00 -0.99 0.31 0.00 -0.55 0.00 0.00 176.35 175.12 2kbo s TYR 32 N -1.24 -0.01 -0.07 0.00 6.14 -1.06 -0.12 117.35 120.99 2kbo s TYR 32 Ca 0.26 0.21 0.02 0.00 0.64 0.00 0.00 57.07 58.20 2kbo s TYR 32 Cb -0.14 -0.20 0.01 0.00 0.42 0.00 0.00 41.96 42.05 2kbo s TYR 32 CO 0.14 -0.11 -0.14 -1.21 0.64 0.00 0.00 175.55 174.88 2kbo s GLU 33 N 1.09 1.88 0.04 4.97 2.02 0.26 -4.14 118.70 124.82 2kbo s GLU 33 Ca -0.09 -0.47 -0.04 0.00 0.02 0.00 0.00 54.97 54.39 2kbo s GLU 33 Cb -0.12 -1.53 -0.02 0.00 0.10 0.00 0.00 34.13 32.56 2kbo s GLU 33 CO -0.04 0.04 0.06 0.54 0.02 0.00 0.00 175.26 175.88 2kbo s VAL 34 N 0.63 0.14 0.11 2.63 0.11 -1.26 0.18 120.40 122.94 2kbo s VAL 34 Ca -0.15 -1.17 0.04 0.00 -2.93 0.00 0.00 61.98 57.77 2kbo s VAL 34 Cb -0.16 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 2kbo s VAL 34 CO 0.04 -0.64 -0.09 -1.61 -3.33 0.00 0.00 175.10 169.47 2kbo s GLU 35 N -2.60 0.90 -0.04 1.54 2.02 -0.29 -4.84 118.70 115.40 2kbo s GLU 35 Ca -0.05 -1.27 0.03 0.00 0.02 0.00 0.00 54.97 53.70 2kbo s GLU 35 Cb -0.01 -0.49 -0.03 0.00 0.10 0.00 0.00 34.13 33.70 2kbo s GLU 35 CO -0.05 0.06 -0.12 -0.98 0.02 0.00 0.00 175.26 174.19 2kbo s ARG 36 N -3.26 2.50 -0.07 1.61 1.70 -1.25 -2.00 118.95 118.18 2kbo s ARG 36 Ca 0.10 -0.71 -0.03 0.00 -0.47 0.00 0.00 55.73 54.63 2kbo s ARG 36 Cb 0.00 -2.41 -0.04 0.00 -0.57 0.00 0.00 34.95 31.94 2kbo s ARG 36 CO -0.01 0.62 0.06 -1.64 -1.08 0.00 0.00 175.30 173.25 2kbo s MET 37 N -0.91 3.13 -0.42 3.89 -1.94 0.13 -1.36 119.30 121.82 2kbo s MET 37 Ca 0.13 -0.36 -0.03 0.00 -1.71 0.00 0.00 55.69 53.71 2kbo s MET 37 Cb -0.11 -2.92 0.11 0.00 2.01 0.00 0.00 34.83 33.93 2kbo s MET 37 CO 0.02 0.70 0.22 -1.58 -0.01 0.00 0.00 175.02 174.38 2kbo s HIS 38 N -1.02 3.57 0.00 -0.03 2.46 -0.23 -2.69 115.29 117.35 2kbo s HIS 38 Ca 0.17 -2.38 0.00 0.00 0.47 0.00 0.00 55.06 53.32 2kbo s HIS 38 Cb -0.12 -3.25 0.00 0.00 -0.13 0.00 0.00 32.58 29.08 2kbo s HIS 38 CO 0.07 -0.97 0.00 -1.71 -2.47 0.00 0.00 174.74 169.65 2kbo n ASN 39 N 4.60 -1.57 -0.01 9.88 2.85 -1.24 -2.51 115.26 127.25 2kbo n ASN 39 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2kbo n ASN 39 Cb 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 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 -4.13 1.20 9.92 -1.26 -4.49 116.55 115.82 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 -1.65 0.57 0.14 -3.53 -1.32 -1.05 -5.16 115.64 103.65 2kbo s THR 41 Ca 0.00 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.53 2kbo s THR 41 Cb 0.00 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 2kbo s THR 41 CO 0.00 0.00 0.10 -1.66 -2.21 0.00 0.00 174.62 170.85 2kbo s TRP 42 N -3.45 3.12 0.10 9.09 -2.14 -1.26 -1.06 118.94 123.33 2kbo s TRP 42 Ca 0.33 -0.01 0.05 0.00 2.66 0.00 0.00 56.10 59.13 2kbo s TRP 42 Cb 0.05 -1.53 -0.03 0.00 -3.10 0.00 0.00 33.47 28.86 2kbo s TRP 42 CO 0.16 0.52 -0.14 0.08 -2.66 0.00 0.00 176.95 174.91 2kbo s VAL 43 N -1.63 1.20 -0.32 -0.66 1.01 -0.46 -4.70 120.40 114.83 2kbo s VAL 43 Ca 0.30 -1.55 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 2kbo s VAL 43 Cb -0.11 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 35.00 2kbo s VAL 43 CO 0.22 -0.36 0.04 -0.76 0.00 0.00 0.00 175.10 174.24 2kbo s LEU 44 N -2.19 4.24 1.01 3.92 2.01 -1.26 -3.94 118.68 122.47 2kbo s LEU 44 Ca 0.04 -1.51 -0.19 0.00 0.01 0.00 0.00 54.13 52.48 2kbo s LEU 44 Cb -0.06 -1.72 -0.09 0.00 0.01 0.00 0.00 46.19 44.32 2kbo s LEU 44 CO 0.02 -0.33 -0.67 0.18 1.01 0.00 0.00 176.35 176.57 2kbo n LEU 45 N 4.58 -3.68 -0.01 1.79 4.77 -1.26 -4.92 117.00 118.26 2kbo n LEU 45 Ca -0.09 0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.84 2kbo n LEU 45 Cb 0.43 -0.80 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 2kbo n LEU 45 CO 0.27 -4.30 -0.76 -0.46 -1.33 0.00 0.00 177.39 170.81 2kbo n ASN 46 N 1.91 1.68 -3.42 -1.43 0.23 -1.26 -4.94 115.26 108.03 2kbo n ASN 46 Ca 0.00 0.25 -0.28 0.00 -0.53 0.00 0.00 54.58 54.02 2kbo n ASN 46 Cb 0.61 -0.55 0.27 0.00 -2.08 0.00 0.00 39.78 38.03 2kbo n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kbo n GLN 47 N -3.32 -4.22 0.00 -3.83 10.64 -1.26 -5.06 117.38 110.33 2kbo n GLN 47 Ca -0.28 -1.25 0.00 0.00 -1.83 0.00 0.00 57.00 53.64 2kbo n GLN 47 Cb 1.05 -1.86 0.00 0.00 -0.86 0.00 0.00 30.24 28.56 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 -5.02 3.12 -4.28 2.61 1.74 -1.26 -5.11 116.66 108.45 2kbo n ARG 48 Ca 0.11 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.93 2kbo n ARG 48 Cb 0.55 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.82 2kbo n ARG 48 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2kbo s ARG 49 N 4.88 1.78 0.00 5.56 0.52 -1.26 -4.99 118.95 125.44 2kbo s ARG 49 Ca 0.00 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2kbo s ARG 49 Cb 0.00 -1.61 0.00 0.00 0.52 0.00 0.00 34.95 33.86 2kbo s ARG 49 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.62 2kbo n GLY 50 N 4.36 2.26 2.66 -3.53 0.00 -1.26 -5.02 105.19 104.66 2kbo n GLY 50 Ca -0.18 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.22 -3.07 1.61 7.35 -1.26 -2.56 117.46 118.31 2kbo n PHE 51 Ca 0.00 -0.93 -0.17 0.00 -0.76 0.00 0.00 57.45 55.59 2kbo n PHE 51 Cb 0.00 0.45 0.01 0.00 0.35 0.00 0.00 39.48 40.29 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 3.68 0.12 -2.13 1.43 -1.26 -5.06 118.68 115.46 2kbo s LEU 52 Ca 0.15 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 2kbo s LEU 52 Cb -0.02 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 2kbo s LEU 52 CO 0.04 -0.73 0.18 0.00 0.23 0.00 0.00 176.35 176.08 2kbo n ASN 54 N -0.10 -6.05 -4.71 0.00 5.15 -1.26 -4.85 115.26 103.44 2kbo n ASN 54 Ca -0.11 0.50 -0.40 0.00 -0.60 0.00 0.00 54.58 53.98 2kbo n ASN 54 Cb 0.63 -1.37 -0.05 0.00 -0.53 0.00 0.00 39.78 38.46 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 -0.60 4.40 0.15 1.20 -0.21 -1.14 -5.06 119.66 118.39 2kbo s GLN 55 Ca 0.00 0.80 0.03 0.00 0.02 0.00 0.00 55.36 56.22 2kbo s GLN 55 Cb 0.00 -3.46 -0.04 0.00 1.00 0.00 0.00 33.01 30.51 2kbo s GLN 55 CO 0.00 0.03 0.20 0.00 -2.12 0.00 0.00 175.29 173.40 2kbo s ALA 56 N 0.94 3.77 0.00 6.09 0.00 -1.26 -4.93 121.76 126.37 2kbo s ALA 56 Ca 0.35 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2kbo s ALA 56 Cb -0.17 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.37 2kbo s ALA 56 CO 0.16 0.55 0.62 -0.35 0.00 0.00 0.00 175.76 176.74 2kbo n PRO 57 N -0.35 0.61 0.29 0.00 -0.04 -1.26 -4.12 135.00 130.12 2kbo n PRO 57 Ca -0.08 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2kbo n PRO 57 Cb 0.54 -1.20 0.84 0.00 -0.04 0.00 0.00 33.50 33.64 2kbo n PRO 57 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2kbo h HIS 58 N 0.81 0.00 -3.96 0.54 2.07 -2.02 -3.43 115.15 109.16 2kbo h HIS 58 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 2kbo h HIS 58 Cb 0.61 0.00 0.19 0.00 2.57 0.00 0.00 27.41 30.78 2kbo h HIS 58 CO 0.01 0.01 0.18 -1.59 -3.07 0.00 0.00 177.93 173.46 2kbo s LYS 59 N -4.73 0.62 0.00 5.12 -2.85 -1.26 -5.01 119.74 111.64 2kbo s LYS 59 Ca -0.05 1.21 0.00 0.00 -1.00 0.00 0.00 55.97 56.13 2kbo s LYS 59 Cb 0.16 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 2kbo s LYS 59 CO 0.58 -2.79 0.09 0.72 0.10 0.00 0.00 175.35 174.05 2kbo n HIS 60 N -4.31 0.00 -2.84 1.78 8.25 -1.26 -4.84 115.22 112.00 2kbo n HIS 60 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 2kbo n HIS 60 Cb 0.53 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.70 2kbo n HIS 60 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kbo n GLY 61 N 0.43 1.68 3.94 -1.41 0.00 -1.26 -5.14 105.19 103.43 2kbo n GLY 61 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 2kbo n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kbo s PHE 62 N -0.94 2.72 -0.13 1.61 0.08 -1.26 -5.06 117.98 115.00 2kbo s PHE 62 Ca 0.27 0.28 -0.19 0.00 0.12 0.00 0.00 56.93 57.41 2kbo s PHE 62 Cb 0.35 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.62 2kbo s PHE 62 CO -0.05 -1.40 0.53 -0.51 -0.10 0.00 0.00 175.22 173.69 2kbo s LEU 63 N -5.18 4.25 0.00 -0.37 2.01 -1.26 -5.07 118.68 113.06 2kbo s LEU 63 Ca 0.61 0.84 -0.03 0.00 0.01 0.00 0.00 54.13 55.56 2kbo s LEU 63 Cb -0.10 -2.77 0.05 0.00 0.01 0.00 0.00 46.19 43.38 2kbo s LEU 63 CO 0.44 -0.07 0.25 -1.84 1.01 0.00 0.00 176.35 176.13 2kbo n GLU 64 N 4.02 -0.55 -0.18 1.70 0.00 -1.26 -4.46 120.64 119.91 2kbo n GLU 64 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 57.16 56.72 2kbo n GLU 64 Cb 0.51 -0.28 0.00 0.00 0.00 0.00 0.00 31.44 31.67 2kbo n GLU 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kbo n GLY 65 N 2.74 1.09 3.64 -1.84 0.00 -1.26 -5.01 105.19 104.55 2kbo n GLY 65 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.55 3.89 0.35 1.61 0.52 -1.26 -4.99 118.95 118.51 2kbo s ARG 66 Ca 0.00 2.05 0.07 0.00 -0.52 0.00 0.00 55.73 57.33 2kbo s ARG 66 Cb 0.00 -4.09 -0.01 0.00 0.52 0.00 0.00 34.95 31.37 2kbo s ARG 66 CO 0.00 -1.21 0.41 -1.01 0.02 0.00 0.00 175.30 173.52 2kbo s HIS 67 N 5.13 2.99 0.09 -0.53 3.76 -1.26 -4.78 115.29 120.69 2kbo s HIS 67 Ca 0.79 -0.28 -0.05 0.00 -0.15 0.00 0.00 55.06 55.38 2kbo s HIS 67 Cb -0.32 -1.97 0.12 0.00 1.11 0.00 0.00 32.58 31.52 2kbo s HIS 67 CO 0.32 0.01 0.54 0.00 -0.85 0.00 0.00 174.74 174.76 2kbo n ALA 68 N -1.56 0.01 -0.19 -1.40 0.00 -1.26 0.46 120.51 116.56 2kbo n ALA 68 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 2kbo n ALA 68 Cb 0.59 -0.19 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.15 0.00 0.00 9.09 -1.95 0.12 114.58 121.69 2kbo h GLU 69 Ca 0.14 0.01 -0.08 0.00 0.05 0.00 0.00 59.36 59.48 2kbo h GLU 69 Cb 0.23 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 2kbo h GLU 69 CO -0.35 -0.10 -0.37 -0.07 0.05 0.00 0.00 179.01 178.17 2kbo h LEU 70 N -0.16 0.00 0.01 3.06 -0.00 -0.30 -2.87 115.31 115.05 2kbo h LEU 70 Ca 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2kbo h LEU 70 Cb 0.37 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.99 2kbo h LEU 70 CO -0.54 0.37 -0.38 0.00 -0.00 0.00 0.00 178.44 177.89 2kbo h PHE 72 N -0.48 0.99 -1.22 0.00 -5.15 -1.47 -0.54 116.94 109.07 2kbo h PHE 72 Ca 0.01 -0.23 0.35 0.00 -0.20 0.00 0.00 57.97 57.90 2kbo h PHE 72 Cb 0.51 -0.23 -0.05 0.00 0.22 0.00 0.00 35.95 36.40 2kbo h PHE 72 CO -0.47 0.99 1.22 1.25 -2.00 0.00 0.00 178.31 179.31 2kbo h LEU 73 N 0.76 0.00 0.00 2.10 5.85 -1.18 3.77 115.31 126.60 2kbo h LEU 73 Ca 0.10 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2kbo h LEU 73 Cb 0.75 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2kbo h LEU 73 CO 0.06 0.00 -1.68 0.47 -0.34 0.00 0.00 178.44 176.95 2kbo n ASP 74 N -3.45 0.44 -0.03 1.25 8.00 -0.25 -4.42 116.55 118.09 2kbo n ASP 74 Ca 0.27 0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.82 2kbo n ASP 74 Cb 1.59 0.96 -0.10 0.00 -0.02 0.00 0.00 41.12 43.55 2kbo n ASP 74 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2kbo h VAL 75 N 0.00 1.45 -0.83 2.53 3.04 0.76 -3.26 116.25 119.93 2kbo h VAL 75 Ca -0.14 -1.40 0.13 0.00 -1.01 0.00 0.00 66.70 64.28 2kbo h VAL 75 Cb 1.38 2.32 -0.13 0.00 -2.01 0.00 0.00 31.29 32.85 2kbo h VAL 75 CO 0.02 0.38 -0.32 -0.38 -1.01 0.00 0.00 177.57 176.25 2kbo n ILE 76 N -4.73 -0.44 0.35 3.17 2.08 -0.83 0.35 119.36 119.31 2kbo n ILE 76 Ca -0.08 1.95 0.12 0.00 0.56 0.00 0.00 62.75 65.29 2kbo n ILE 76 Cb 0.33 -2.58 0.52 0.00 -0.75 0.00 0.00 39.64 37.15 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 -5.23 0.19 -0.29 0.38 -0.04 -1.25 -2.58 135.00 126.17 2kbo n PRO 77 Ca 0.09 0.47 -0.03 0.00 -0.04 0.00 0.00 63.50 63.99 2kbo n PRO 77 Cb 0.34 -1.90 0.14 0.00 -0.04 0.00 0.00 33.50 32.04 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 1.13 0.00 0.54 3.04 0.59 -1.44 116.94 120.80 2kbo h PHE 78 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2kbo h PHE 78 Cb 0.29 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.44 2kbo h PHE 78 CO 0.00 0.78 -0.09 -1.49 -2.02 0.00 0.00 178.31 175.49 2kbo h TRP 79 N 1.17 0.00 -6.03 0.41 6.55 -1.42 -3.48 115.95 113.14 2kbo h TRP 79 Ca 0.30 0.00 -0.35 0.00 0.95 0.00 0.00 58.89 59.78 2kbo h TRP 79 Cb 0.01 0.00 0.09 0.00 -0.86 0.00 0.00 29.16 28.40 2kbo h TRP 79 CO 0.01 0.00 -0.82 1.63 -1.05 0.00 0.00 178.44 178.20 2kbo n LYS 80 N -2.90 -1.43 0.00 0.49 5.02 -0.54 -5.00 118.16 113.80 2kbo n LYS 80 Ca 0.04 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 2kbo n LYS 80 Cb 0.51 -4.46 0.00 0.00 -0.02 0.00 0.00 35.03 31.06 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 -3.59 0.00 0.00 -0.35 4.32 -1.26 -5.11 117.00 111.01 2kbo n LEU 81 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2kbo n LEU 81 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2kbo n LEU 81 CO 0.64 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.28 2kbo n ASP 82 N 0.00 1.70 -0.11 -1.43 8.00 -1.26 -5.09 116.55 118.37 2kbo n ASP 82 Ca 0.00 -0.45 -0.24 0.00 0.71 0.00 0.00 54.79 54.81 2kbo n ASP 82 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 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 1.94 0.05 0.64 -0.00 -1.26 -4.12 117.00 114.24 2kbo n LEU 83 Ca 0.00 0.38 0.03 0.00 -0.00 0.00 0.00 56.01 56.42 2kbo n LEU 83 Cb 0.00 -0.94 0.15 0.00 -0.00 0.00 0.00 43.42 42.63 2kbo n LEU 83 CO 0.00 0.39 0.59 -0.67 -0.00 0.00 0.00 177.39 177.70 2kbo n ASP 84 N -4.32 0.14 -4.49 1.96 2.03 -1.26 -4.61 116.55 106.00 2kbo n ASP 84 Ca -0.38 0.50 -0.25 0.00 0.52 0.00 0.00 54.79 55.18 2kbo n ASP 84 Cb 0.75 -0.50 0.14 0.00 -0.72 0.00 0.00 41.12 40.79 2kbo n ASP 84 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kbo s GLN 85 N -3.02 1.28 0.31 -0.67 -1.52 -1.26 -3.66 119.66 111.12 2kbo s GLN 85 Ca -0.01 -1.11 -0.03 0.00 -1.95 0.00 0.00 55.36 52.26 2kbo s GLN 85 Cb 0.02 -2.22 -0.00 0.00 -0.22 0.00 0.00 33.01 30.58 2kbo s GLN 85 CO 0.05 -1.78 0.43 -0.51 -0.25 0.00 0.00 175.29 173.23 2kbo s ASP 86 N -4.84 0.72 0.11 5.90 1.11 -1.10 -4.83 116.67 113.75 2kbo s ASP 86 Ca 0.70 -1.40 0.04 0.00 0.18 0.00 0.00 52.55 52.07 2kbo s ASP 86 Cb -0.04 0.62 -0.04 0.00 1.07 0.00 0.00 42.92 44.53 2kbo s ASP 86 CO 0.47 -1.21 -0.10 -0.31 1.18 0.00 0.00 175.17 175.19 2kbo s TYR 87 N -3.35 1.12 -0.36 4.23 2.02 -1.26 0.19 117.35 119.95 2kbo s TYR 87 Ca 0.31 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 2kbo s TYR 87 Cb 0.00 -0.60 0.14 0.00 -0.40 0.00 0.00 41.96 41.10 2kbo s TYR 87 CO 0.18 0.02 0.23 1.03 -1.57 0.00 0.00 175.55 175.44 2kbo s ARG 88 N -2.90 0.59 0.15 -0.62 0.52 -0.85 -3.77 118.95 112.08 2kbo s ARG 88 Ca 0.07 -1.43 -0.08 0.00 -0.52 0.00 0.00 55.73 53.77 2kbo s ARG 88 Cb -0.02 -1.30 -0.06 0.00 0.52 0.00 0.00 34.95 34.08 2kbo s ARG 88 CO 0.00 -1.24 0.45 0.08 0.02 0.00 0.00 175.30 174.62 2kbo s VAL 89 N 0.94 5.05 -0.05 3.52 1.01 0.55 -1.13 120.40 130.28 2kbo s VAL 89 Ca 0.20 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 2kbo s VAL 89 Cb -0.19 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.59 2kbo s VAL 89 CO -0.02 0.08 0.09 -0.89 0.00 0.00 0.00 175.10 174.37 2kbo s THR 90 N -1.63 -0.08 -0.14 3.92 2.01 0.47 -1.57 115.64 118.63 2kbo s THR 90 Ca 0.41 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.66 2kbo s THR 90 Cb -0.12 -0.18 -0.00 0.00 0.01 0.00 0.00 72.50 72.21 2kbo s THR 90 CO 0.21 0.10 -0.19 0.00 -0.69 0.00 0.00 174.62 174.06 2kbo s PHE 92 N 0.65 3.56 -0.24 0.00 0.08 0.83 -0.09 117.98 122.76 2kbo s PHE 92 Ca -0.09 -2.30 -0.03 0.00 0.12 0.00 0.00 56.93 54.62 2kbo s PHE 92 Cb -0.16 -3.27 0.13 0.00 -0.57 0.00 0.00 43.02 39.15 2kbo s PHE 92 CO 0.02 -0.98 0.40 0.99 -0.10 0.00 0.00 175.22 175.56 2kbo s THR 93 N 1.19 -0.64 0.40 0.64 2.01 -0.21 -0.68 115.64 118.34 2kbo s THR 93 Ca 0.08 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.07 2kbo s THR 93 Cb -0.23 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.49 2kbo s THR 93 CO -0.03 -0.09 0.91 0.28 -0.69 0.00 0.00 174.62 175.00 2kbo h SER 94 N 8.17 0.00 -2.86 3.53 0.02 -1.91 -3.32 113.55 117.17 2kbo h SER 94 Ca -0.19 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.12 2kbo h SER 94 Cb 1.15 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 2kbo h SER 94 CO 0.25 0.00 -0.34 0.86 -1.14 0.00 0.00 176.83 176.46 2kbo s TRP 95 N -3.32 3.64 0.08 3.45 -0.00 -1.26 0.74 118.94 122.28 2kbo s TRP 95 Ca -0.00 0.73 -0.00 0.00 -0.00 0.00 0.00 56.10 56.82 2kbo s TRP 95 Cb 0.01 -2.09 0.02 0.00 -0.00 0.00 0.00 33.47 31.40 2kbo s TRP 95 CO 0.02 0.66 0.12 -1.13 -0.00 0.00 0.00 176.95 176.62 2kbo n SER 96 N 1.67 0.11 -2.19 5.86 3.41 -1.26 -4.67 113.62 116.55 2kbo n SER 96 Ca -0.15 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 2kbo n SER 96 Cb 0.53 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.22 3.25 -3.68 4.33 -0.04 -1.26 -5.02 135.00 131.36 2kbo n PRO 97 Ca 0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 2kbo n PRO 97 Cb 0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.32 -0.20 -0.04 0.00 3.72 -1.26 0.11 117.46 120.11 2kbo n PHE 99 Ca -0.18 0.58 -0.02 0.00 -0.05 0.00 0.00 57.45 57.78 2kbo n PHE 99 Cb 0.61 -0.49 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 2kbo n PHE 99 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2kbo h SER 100 N 0.00 0.00 -1.18 4.37 0.87 -1.97 -2.98 113.55 112.65 2kbo h SER 100 Ca 0.07 0.00 0.34 0.00 -1.23 0.00 0.00 61.79 60.98 2kbo h SER 100 Cb 0.19 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 2kbo h SER 100 CO -0.44 0.44 1.24 0.00 -0.53 0.00 0.00 176.83 177.54 2kbo h ALA 102 N 0.59 0.12 -0.02 0.00 0.00 0.68 -2.98 119.26 117.65 2kbo h ALA 102 Ca 0.56 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2kbo h ALA 102 Cb 3.04 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 20.76 2kbo h ALA 102 CO -0.01 0.12 -0.48 1.96 0.00 0.00 0.00 179.25 180.85 2kbo h GLN 103 N -0.22 -0.59 -0.55 0.00 4.20 0.41 0.47 115.11 118.84 2kbo h GLN 103 Ca -0.01 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.79 2kbo h GLN 103 Cb 0.89 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.74 2kbo h GLN 103 CO 0.05 -0.39 -0.32 0.39 -0.67 0.00 0.00 178.83 177.89 2kbo n GLU 104 N -5.46 -0.24 0.11 1.46 1.02 -0.89 -0.56 120.64 116.09 2kbo n GLU 104 Ca -0.06 1.10 -0.08 0.00 -0.02 0.00 0.00 57.16 58.10 2kbo n GLU 104 Cb 0.38 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 2kbo n GLU 104 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 2kbo h MET 105 N 0.00 -0.39 -0.63 3.49 4.05 -1.18 -2.67 114.93 117.60 2kbo h MET 105 Ca 0.09 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.63 2kbo h MET 105 Cb 0.22 0.09 -0.10 0.00 -0.80 0.00 0.00 31.60 31.01 2kbo h MET 105 CO -0.52 -0.26 -0.25 0.00 0.23 0.00 0.00 176.91 176.11 2kbo n ALA 106 N -2.52 -0.09 -0.08 0.39 0.00 0.16 -0.01 120.51 118.36 2kbo n ALA 106 Ca -0.05 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2kbo n ALA 106 Cb 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -4.92 0.00 -0.56 0.00 5.02 0.28 0.31 118.16 118.29 2kbo n LYS 107 Ca 0.06 0.81 0.42 0.00 -2.02 0.00 0.00 58.31 57.59 2kbo n LYS 107 Cb 0.25 -1.46 0.65 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 -2.56 0.00 0.00 2.13 3.01 0.98 0.14 117.46 121.17 2kbo n PHE 108 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2kbo n PHE 108 Cb 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 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 -3.52 0.00 -0.37 4.37 -0.00 0.33 -3.09 119.36 117.08 2kbo n ILE 109 Ca 0.35 0.46 0.29 0.00 -0.00 0.00 0.00 62.75 63.85 2kbo n ILE 109 Cb 1.61 -1.43 0.57 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 0.37 0.05 4.38 4.64 0.63 1.11 113.55 124.73 2kbo h SER 110 Ca 0.00 0.12 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 2kbo h SER 110 Cb 0.00 0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2kbo h SER 110 CO 0.00 -0.06 -0.65 0.11 -0.87 0.00 0.00 176.83 175.36 2kbo h LYS 111 N 0.25 0.57 -2.76 4.77 1.79 0.10 -3.37 116.57 117.92 2kbo h LYS 111 Ca 0.71 -0.41 -0.61 0.00 -2.18 0.00 0.00 60.65 58.16 2kbo h LYS 111 Cb 1.99 0.07 -0.40 0.00 -1.58 0.00 0.00 32.23 32.30 2kbo h LYS 111 CO -0.39 1.03 -0.74 0.09 -1.08 0.00 0.00 179.45 178.36 2kbo n ASN 112 N -3.92 1.63 0.07 0.86 4.13 0.37 -4.93 115.26 113.48 2kbo n ASN 112 Ca -0.04 -2.88 0.03 0.00 1.68 0.00 0.00 54.58 53.37 2kbo n ASN 112 Cb 0.67 -0.67 0.18 0.00 -1.54 0.00 0.00 39.78 38.41 2kbo n ASN 112 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2kbo n LYS 113 N 2.26 0.04 0.00 3.52 4.01 -0.51 -1.85 118.16 125.63 2kbo n LYS 113 Ca 0.24 0.45 0.00 0.00 -0.51 0.00 0.00 58.31 58.49 2kbo n LYS 113 Cb 0.40 -1.83 0.00 0.00 -0.51 0.00 0.00 35.03 33.09 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 -1.67 0.00 -4.26 2.13 1.44 -1.26 -4.66 115.22 106.93 2kbo n HIS 114 Ca -0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.41 2kbo n HIS 114 Cb 0.20 -0.03 -0.10 0.00 0.12 0.00 0.00 29.99 30.18 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 -1.37 3.14 -0.27 0.61 1.01 -0.77 -4.08 120.40 118.66 2kbo s VAL 115 Ca 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.56 2kbo s VAL 115 Cb 0.00 -2.46 0.09 0.00 0.00 0.00 0.00 36.38 34.01 2kbo s VAL 115 CO 0.00 0.09 0.11 -0.44 0.00 0.00 0.00 175.10 174.86 2kbo s SER 116 N -2.22 3.42 -0.07 3.32 0.01 -1.25 -5.00 113.70 111.91 2kbo s SER 116 Ca 0.20 -1.23 -0.04 0.00 1.31 0.00 0.00 55.95 56.20 2kbo s SER 116 Cb -0.11 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 2kbo s SER 116 CO 0.12 -0.41 0.09 -0.76 0.41 0.00 0.00 173.24 172.69 2kbo s LEU 117 N 1.96 4.03 -0.43 2.44 1.02 -1.25 -0.33 118.68 126.13 2kbo s LEU 117 Ca 0.07 0.29 0.02 0.00 0.02 0.00 0.00 54.13 54.53 2kbo s LEU 117 Cb -0.16 -2.09 0.13 0.00 0.02 0.00 0.00 46.19 44.09 2kbo s LEU 117 CO -0.27 0.36 0.22 0.00 0.02 0.00 0.00 176.35 176.68 2kbo s ILE 119 N 0.45 5.04 -0.41 0.00 1.01 0.82 -1.95 121.20 126.16 2kbo s ILE 119 Ca 0.17 1.41 -0.06 0.00 0.00 0.00 0.00 60.65 62.16 2kbo s ILE 119 Cb -0.24 -4.03 0.09 0.00 0.01 0.00 0.00 42.46 38.30 2kbo s ILE 119 CO -0.02 0.22 0.23 -0.36 0.00 0.00 0.00 174.94 175.01 2kbo s PHE 120 N 1.02 3.42 0.04 3.97 0.40 0.87 -1.18 117.98 126.53 2kbo s PHE 120 Ca 0.36 -1.90 0.08 0.00 -0.60 0.00 0.00 56.93 54.87 2kbo s PHE 120 Cb -0.17 -3.04 -0.03 0.00 0.51 0.00 0.00 43.02 40.29 2kbo s PHE 120 CO 0.16 -0.91 -0.23 -0.08 0.70 0.00 0.00 175.22 174.87 2kbo s THR 121 N 1.31 1.87 -0.20 0.64 -1.32 -0.59 -1.05 115.64 116.30 2kbo s THR 121 Ca 0.04 -1.27 -0.09 0.00 -1.21 0.00 0.00 61.69 59.16 2kbo s THR 121 Cb -0.23 -1.61 -0.09 0.00 -1.51 0.00 0.00 72.50 69.06 2kbo s THR 121 CO -0.01 0.28 -0.25 0.00 -2.21 0.00 0.00 174.62 172.44 2kbo n ALA 122 N 1.84 1.70 -3.53 11.08 0.00 0.22 0.88 120.51 132.69 2kbo n ALA 122 Ca -0.17 -0.80 -0.14 0.00 0.00 0.00 0.00 53.44 52.33 2kbo n ALA 122 Cb 0.53 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.37 0.77 -0.02 0.00 1.70 0.23 -4.49 118.95 114.77 2kbo s ARG 123 Ca -0.28 0.80 0.01 0.00 -0.47 0.00 0.00 55.73 55.80 2kbo s ARG 123 Cb 0.10 0.37 0.01 0.00 -0.57 0.00 0.00 34.95 34.87 2kbo s ARG 123 CO 0.36 -0.11 -0.04 0.96 -1.08 0.00 0.00 175.30 175.39 2kbo s ILE 124 N 0.16 0.37 -0.11 4.99 -4.36 -1.26 -4.33 121.20 116.66 2kbo s ILE 124 Ca -0.01 -0.12 -0.03 0.00 -0.26 0.00 0.00 60.65 60.23 2kbo s ILE 124 Cb -0.04 -0.37 0.04 0.00 1.25 0.00 0.00 42.46 43.34 2kbo s ILE 124 CO 0.02 0.15 0.04 -0.31 0.24 0.00 0.00 174.94 175.08 2kbo s TYR 125 N 0.42 0.48 0.18 1.37 1.51 -1.26 -4.72 117.35 115.33 2kbo s TYR 125 Ca -0.05 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 2kbo s TYR 125 Cb -0.08 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 2kbo s TYR 125 CO -0.00 -0.40 0.10 -0.25 -1.11 0.00 0.00 175.55 173.89 2kbo n ASP 126 N 5.20 0.34 -1.86 2.29 9.92 -1.26 -5.07 116.55 126.10 2kbo n ASP 126 Ca -0.06 -2.04 -0.21 0.00 -0.53 0.00 0.00 54.79 51.95 2kbo n ASP 126 Cb 0.49 0.65 0.04 0.00 -0.64 0.00 0.00 41.12 41.66 2kbo n ASP 126 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kbo n ASP 127 N -2.10 4.62 0.00 -2.24 -0.08 -1.26 -4.99 116.55 110.49 2kbo n ASP 127 Ca 0.01 -3.77 0.00 0.00 -1.51 0.00 0.00 54.79 49.52 2kbo n ASP 127 Cb 0.29 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.37 2kbo n ASP 127 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kbo n GLN 128 N -0.76 1.34 0.00 -0.67 1.13 -1.26 -5.11 117.38 112.05 2kbo n GLN 128 Ca 0.42 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 2kbo n GLN 128 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.28 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 4.62 -0.06 0.20 1.08 0.00 -1.26 -4.94 105.19 104.84 2kbo n GLY 129 Ca 0.00 0.05 0.20 0.00 0.00 0.00 0.00 46.02 46.27 2kbo n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbo n ARG 130 N 0.00 -0.04 0.00 1.61 1.74 -1.26 0.28 116.66 118.99 2kbo n ARG 130 Ca 0.00 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 2kbo n ARG 130 Cb 0.00 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 2kbo n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kbo n GLN 132 N -0.98 0.01 -0.03 0.00 10.64 0.79 -3.58 117.38 124.23 2kbo n GLN 132 Ca 0.00 0.32 -0.01 0.00 -1.83 0.00 0.00 57.00 55.48 2kbo n GLN 132 Cb 0.03 -1.78 -0.01 0.00 -0.86 0.00 0.00 30.24 27.62 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 -1.39 -0.03 0.03 2.61 0.28 -1.13 -0.69 120.64 120.32 2kbo n GLU 133 Ca -0.00 0.74 -0.11 0.00 -0.16 0.00 0.00 57.16 57.62 2kbo n GLU 133 Cb 0.24 -1.11 -0.05 0.00 1.43 0.00 0.00 31.44 31.96 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 -0.50 -0.32 -1.84 0.00 -1.58 -1.64 103.07 97.20 2kbo h GLY 134 Ca 0.01 0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.77 2kbo h GLY 134 CO -0.07 -0.23 -0.19 -0.10 0.00 0.00 0.00 176.54 175.95 2kbo n LEU 135 N -5.41 -0.34 0.19 3.11 0.00 0.14 0.28 117.00 114.96 2kbo n LEU 135 Ca -0.04 0.93 0.14 0.00 0.00 0.00 0.00 56.01 57.04 2kbo n LEU 135 Cb 0.33 -0.25 0.59 0.00 0.00 0.00 0.00 43.42 44.08 2kbo n LEU 135 CO 0.17 -0.65 0.91 0.08 0.00 0.00 0.00 177.39 177.90 2kbo h ARG 136 N 0.00 0.00 0.01 1.96 0.11 -1.21 -1.72 114.38 113.53 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 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 2kbo h ARG 136 CO -0.30 0.00 -0.01 0.00 0.10 0.00 0.00 179.97 179.76 2kbo h THR 137 N 0.00 0.70 0.00 0.08 1.03 0.51 -2.04 112.91 113.20 2kbo h THR 137 Ca 0.00 -1.50 -0.02 0.00 -0.01 0.00 0.00 66.41 64.88 2kbo h THR 137 Cb 0.38 1.32 -0.00 0.00 -1.07 0.00 0.00 68.15 68.77 2kbo h THR 137 CO 0.00 0.24 -0.10 0.17 -0.01 0.00 0.00 175.52 175.81 2kbo h LEU 138 N -1.00 0.00 -0.01 0.00 -0.00 -0.03 1.40 115.31 115.67 2kbo h LEU 138 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2kbo h LEU 138 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2kbo h LEU 138 CO 0.00 0.10 -0.10 0.00 -0.00 0.00 0.00 178.44 178.44 2kbo h ALA 139 N 1.90 0.03 0.15 0.17 0.00 -1.41 0.78 119.26 120.88 2kbo h ALA 139 Ca -0.00 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.20 2kbo h ALA 139 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kbo h ALA 139 CO 0.01 -0.05 -1.56 0.93 0.00 0.00 0.00 179.25 178.58 2kbo h GLU 140 N -0.56 0.32 -0.37 0.00 4.39 -1.19 -3.06 114.58 114.11 2kbo h GLU 140 Ca -0.01 -0.55 0.11 0.00 0.34 0.00 0.00 59.36 59.24 2kbo h GLU 140 Cb 0.80 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 2kbo h GLU 140 CO 0.02 1.21 0.39 0.00 -1.16 0.00 0.00 179.01 179.47 2kbo h ALA 141 N 0.36 2.07 0.00 3.43 0.00 0.18 -3.42 119.26 121.88 2kbo h ALA 141 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 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 0.18 -0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.27 2kbo n GLY 142 N -1.48 0.00 3.65 0.00 0.00 -1.21 -4.07 105.19 102.09 2kbo n GLY 142 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2kbo n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbo s ALA 143 N 0.00 3.56 -0.52 4.61 0.00 0.27 -4.30 121.76 125.37 2kbo s ALA 143 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.39 2kbo s ALA 143 Cb 0.00 -2.95 0.04 0.00 0.00 0.00 0.00 23.12 20.20 2kbo s ALA 143 CO 0.00 -0.58 0.93 0.15 0.00 0.00 0.00 175.76 176.26 2kbo s LYS 144 N 1.97 3.40 0.02 0.00 1.02 -0.72 -4.13 119.74 121.30 2kbo s LYS 144 Ca 0.27 -0.11 -0.06 0.00 0.02 0.00 0.00 55.97 56.10 2kbo s LYS 144 Cb -0.16 -4.01 -0.05 0.00 -0.52 0.00 0.00 37.83 33.10 2kbo s LYS 144 CO 0.10 -1.38 0.26 0.42 -0.92 0.00 0.00 175.35 173.83 2kbo s ILE 145 N 3.87 5.31 -0.03 2.17 -1.09 -1.26 -0.12 121.20 130.05 2kbo s ILE 145 Ca 0.33 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 2kbo s ILE 145 Cb -0.12 -3.57 0.03 0.00 -1.58 0.00 0.00 42.46 37.22 2kbo s ILE 145 CO 0.22 0.32 0.01 -0.94 -1.23 0.00 0.00 174.94 173.32 2kbo s SER 146 N -1.83 0.32 -0.36 3.58 1.04 -0.33 -4.94 113.70 111.18 2kbo s SER 146 Ca 0.29 -0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.45 2kbo s SER 146 Cb -0.13 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.83 2kbo s SER 146 CO 0.18 -0.10 0.90 -0.63 0.98 0.00 0.00 173.24 174.57 2kbo s ILE 147 N 0.95 4.62 -0.52 -1.02 1.09 -1.25 -1.54 121.20 123.53 2kbo s ILE 147 Ca -0.09 1.19 -0.26 0.00 -1.10 0.00 0.00 60.65 60.39 2kbo s ILE 147 Cb -0.13 -4.30 0.03 0.00 -1.06 0.00 0.00 42.46 37.00 2kbo s ILE 147 CO -0.02 -0.49 1.01 -0.04 -0.10 0.00 0.00 174.94 175.31 2kbo s MET 148 N 3.38 3.49 0.00 2.79 -1.94 0.25 -4.95 119.30 122.33 2kbo s MET 148 Ca 0.37 0.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.45 2kbo s MET 148 Cb -0.12 -3.98 0.00 0.00 2.01 0.00 0.00 34.83 32.73 2kbo s MET 148 CO 0.18 -1.42 0.00 0.25 -0.01 0.00 0.00 175.02 174.01 2kbo n THR 149 N 6.46 0.00 -0.14 2.05 -2.24 -1.26 -4.62 114.28 114.53 2kbo n THR 149 Ca 0.06 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.80 2kbo n THR 149 Cb 0.48 -1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 2kbo n THR 149 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 2kbo h TYR 150 N -0.02 -0.65 0.00 4.78 -0.00 -1.95 1.29 116.97 120.43 2kbo h TYR 150 Ca 0.00 0.04 0.01 0.00 -0.00 0.00 0.00 58.73 58.79 2kbo h TYR 150 Cb 0.00 0.33 -0.04 0.00 -0.00 0.00 0.00 36.73 37.02 2kbo h TYR 150 CO 0.00 -0.13 -0.36 0.66 -0.00 0.00 0.00 178.16 178.34 2kbo h SER 151 N -0.00 -1.11 -1.31 0.10 4.64 -1.99 0.18 113.55 114.06 2kbo h SER 151 Ca 0.05 0.12 0.39 0.00 -0.47 0.00 0.00 61.79 61.88 2kbo h SER 151 Cb 0.14 0.42 -0.09 0.00 -0.31 0.00 0.00 62.40 62.56 2kbo h SER 151 CO -0.32 -0.35 0.89 -0.33 -0.87 0.00 0.00 176.83 175.85 2kbo h GLU 152 N -0.45 0.12 0.00 4.77 4.39 -1.72 0.36 114.58 122.05 2kbo h GLU 152 Ca 0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kbo h GLU 152 Cb 0.48 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2kbo h GLU 152 CO -0.24 0.08 0.00 0.34 -1.16 0.00 0.00 179.01 178.03 2kbo n PHE 153 N -4.41 0.00 0.18 4.33 7.35 0.44 0.20 117.46 125.55 2kbo n PHE 153 Ca 0.32 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 57.07 2kbo n PHE 153 Cb 1.33 -0.34 0.34 0.00 0.35 0.00 0.00 39.48 41.15 2kbo n PHE 153 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2kbo h LYS 154 N 0.00 0.00 0.06 -4.13 1.57 -0.70 3.01 116.57 116.38 2kbo h LYS 154 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 2kbo h LYS 154 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2kbo h LYS 154 CO 0.00 0.00 -1.55 1.25 -0.57 0.00 0.00 179.45 178.58 2kbo h HIS 155 N 0.00 0.22 0.00 -1.35 2.76 -0.01 -2.66 115.15 114.11 2kbo h HIS 155 Ca 0.00 -0.16 -0.01 0.00 -2.20 0.00 0.00 60.37 57.99 2kbo h HIS 155 Cb 0.75 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.70 2kbo h HIS 155 CO 0.00 1.22 -0.07 0.00 -1.30 0.00 0.00 177.93 177.78 2kbo h TRP 157 N 0.00 0.00 0.00 0.00 6.55 -1.48 -3.28 115.95 117.75 2kbo h TRP 157 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2kbo h TRP 157 Cb 0.28 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.58 2kbo h TRP 157 CO 0.00 0.00 0.39 -0.25 -1.05 0.00 0.00 178.44 177.53 2kbo n ASP 158 N -3.96 0.03 -0.11 -3.49 9.92 -1.00 0.11 116.55 118.04 2kbo n ASP 158 Ca -0.02 0.18 -0.23 0.00 -0.53 0.00 0.00 54.79 54.20 2kbo n ASP 158 Cb 0.07 -0.16 -0.10 0.00 -0.64 0.00 0.00 41.12 40.29 2kbo n ASP 158 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2kbo n THR 159 N -1.26 1.52 -0.10 -3.53 -1.04 -0.49 -4.68 114.28 104.70 2kbo n THR 159 Ca -0.00 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.05 61.78 2kbo n THR 159 Cb 0.39 -2.03 -0.15 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 -4.39 0.07 -2.27 -1.42 7.35 -0.07 -4.93 117.46 111.80 2kbo n PHE 160 Ca -0.37 0.02 -0.42 0.00 -0.76 0.00 0.00 57.45 55.93 2kbo n PHE 160 Cb 0.71 -1.01 -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 -2.50 3.64 -0.57 -2.13 1.01 0.30 -4.86 120.40 115.30 2kbo s VAL 161 Ca -0.14 1.15 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2kbo s VAL 161 Cb 0.07 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2kbo s VAL 161 CO 0.79 0.07 0.40 -0.67 0.00 0.00 0.00 175.10 175.69 2kbo n ASP 162 N 4.29 1.04 -3.56 3.32 2.03 -1.26 -4.09 116.55 118.32 2kbo n ASP 162 Ca 0.11 -1.12 -0.29 0.00 0.52 0.00 0.00 54.79 54.01 2kbo n ASP 162 Cb 0.44 -0.28 -0.13 0.00 -0.72 0.00 0.00 41.12 40.43 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 -0.38 1.16 -1.92 -0.67 0.09 -1.26 -4.97 115.29 107.33 2kbo s HIS 163 Ca 0.00 -1.85 0.00 0.00 -0.00 0.00 0.00 55.06 53.21 2kbo s HIS 163 Cb 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 32.58 31.31 2kbo s HIS 163 CO 0.00 -0.82 0.08 1.04 -0.00 0.00 0.00 174.74 175.04 2kbo n GLN 164 N 3.99 0.08 -2.76 1.40 6.02 -1.26 -1.82 117.38 123.03 2kbo n GLN 164 Ca 0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.05 2kbo n GLN 164 Cb 0.37 -1.00 0.05 0.00 1.02 0.00 0.00 30.24 30.68 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 -0.35 1.68 3.63 1.08 0.00 -1.26 -4.83 105.19 105.14 2kbo n GLY 165 Ca 0.00 -1.04 -0.47 0.00 0.00 0.00 0.00 46.02 44.52 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 1.83 0.71 -2.27 0.00 -0.04 -1.26 -4.86 135.00 129.11 2kbo n PRO 167 Ca 0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 2kbo n PRO 167 Cb 0.28 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.19 3.52 0.09 0.54 2.19 -1.26 -5.09 117.98 117.79 2kbo s PHE 168 Ca 0.00 1.32 0.02 0.00 0.33 0.00 0.00 56.93 58.61 2kbo s PHE 168 Cb 0.00 -2.70 -0.04 0.00 -1.31 0.00 0.00 43.02 38.97 2kbo s PHE 168 CO 0.00 -0.45 -0.07 -0.65 1.83 0.00 0.00 175.22 175.87 2kbo s GLN 169 N -4.48 0.81 0.17 10.12 -0.21 -1.26 -5.01 119.66 119.80 2kbo s GLN 169 Ca 0.56 -1.24 -0.17 0.00 0.02 0.00 0.00 55.36 54.54 2kbo s GLN 169 Cb -0.10 -0.29 -0.07 0.00 1.00 0.00 0.00 33.01 33.55 2kbo s GLN 169 CO 0.40 0.01 0.62 -1.25 -2.12 0.00 0.00 175.29 172.95 2kbo s PRO 170 N -3.38 4.10 0.18 2.91 0.04 -1.26 -5.07 135.00 132.51 2kbo s PRO 170 Ca 0.08 0.65 0.06 0.00 0.04 0.00 0.00 61.00 61.83 2kbo s PRO 170 Cb 0.02 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 2kbo s PRO 170 CO -0.03 0.46 0.10 1.67 0.04 0.00 0.00 177.00 179.24 2kbo s TRP 171 N -1.46 3.05 0.00 0.56 -2.14 -1.26 -4.98 118.94 112.71 2kbo s TRP 171 Ca 0.39 -0.06 -0.01 0.00 2.66 0.00 0.00 56.10 59.08 2kbo s TRP 171 Cb -0.16 -1.46 -0.05 0.00 -3.10 0.00 0.00 33.47 28.70 2kbo s TRP 171 CO 0.20 0.52 1.32 -0.25 -2.66 0.00 0.00 176.95 176.08 2kbo n ASP 172 N -0.35 2.31 0.00 -2.66 8.00 -1.26 -2.24 116.55 120.34 2kbo n ASP 172 Ca -0.09 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.66 2kbo n ASP 172 Cb 0.55 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kbo n ASP 172 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kbo n GLY 173 N 2.24 0.00 0.61 0.44 0.00 -1.26 -4.75 105.19 102.46 2kbo n GLY 173 Ca 0.08 0.00 0.46 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.35 0.02 0.20 0.99 4.77 -0.95 0.65 117.00 121.33 2kbo n LEU 174 Ca 0.00 0.92 -0.10 0.00 -0.03 0.00 0.00 56.01 56.80 2kbo n LEU 174 Cb 0.17 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 2kbo n LEU 174 CO 0.00 -0.94 0.52 -2.24 -1.33 0.00 0.00 177.39 173.40 2kbo h ASP 175 N 0.00 -0.68 -0.84 -1.43 2.03 -1.85 0.16 116.42 113.81 2kbo h ASP 175 Ca 0.83 0.04 0.20 0.00 -0.73 0.00 0.00 57.03 57.38 2kbo h ASP 175 Cb 3.27 0.21 -0.13 0.00 -0.83 0.00 0.00 39.33 41.85 2kbo h ASP 175 CO -0.06 -0.38 0.27 -0.08 -1.03 0.00 0.00 179.24 177.96 2kbo h GLU 176 N -0.60 0.29 -0.15 4.15 4.81 -0.12 0.18 114.58 123.14 2kbo h GLU 176 Ca -0.05 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2kbo h GLU 176 Cb 0.49 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2kbo h GLU 176 CO 0.03 0.19 0.00 0.45 -0.73 0.00 0.00 179.01 178.95 2kbo h HIS 177 N 0.30 -0.00 0.46 0.92 3.86 -1.07 -2.09 115.15 117.53 2kbo h HIS 177 Ca 0.51 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.71 2kbo h HIS 177 Cb 0.96 0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.45 2kbo h HIS 177 CO -0.22 -0.02 -0.27 0.77 0.86 0.00 0.00 177.93 179.05 2kbo h SER 178 N 0.05 -0.68 -0.81 2.45 0.02 0.22 -0.46 113.55 114.35 2kbo h SER 178 Ca 0.07 0.04 0.21 0.00 -0.84 0.00 0.00 61.79 61.27 2kbo h SER 178 Cb 0.08 0.19 -0.15 0.00 0.14 0.00 0.00 62.40 62.66 2kbo h SER 178 CO -0.11 -0.42 -0.02 1.67 -1.14 0.00 0.00 176.83 176.81 2kbo n GLN 179 N -4.01 -0.07 0.03 3.45 7.27 -0.22 0.20 117.38 124.03 2kbo n GLN 179 Ca -0.08 1.21 -0.01 0.00 0.07 0.00 0.00 57.00 58.19 2kbo n GLN 179 Cb 0.28 -1.91 -0.01 0.00 2.41 0.00 0.00 30.24 31.01 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 -0.08 0.35 1.69 3.58 -1.06 0.15 116.42 121.05 2kbo h ASP 180 Ca 0.47 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.92 2kbo h ASP 180 Cb 0.94 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 2kbo h ASP 180 CO -0.77 -0.04 -0.24 0.25 -2.88 0.00 0.00 179.24 175.56 2kbo h LEU 181 N -0.11 -0.61 0.02 2.28 6.46 0.08 -1.84 115.31 121.58 2kbo h LEU 181 Ca -0.01 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2kbo h LEU 181 Cb 0.07 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2kbo h LEU 181 CO 0.02 -0.37 -0.01 0.77 -0.62 0.00 0.00 178.44 178.22 2kbo h SER 182 N -0.58 -0.03 -1.71 1.25 4.64 0.21 0.40 113.55 117.74 2kbo h SER 182 Ca -0.03 0.00 0.51 0.00 -0.47 0.00 0.00 61.79 61.80 2kbo h SER 182 Cb 0.49 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.50 2kbo h SER 182 CO 0.02 -0.02 1.21 0.61 -0.87 0.00 0.00 176.83 177.77 2kbo n GLY 183 N -0.95 -0.89 0.08 -0.77 0.00 0.51 -0.00 105.19 103.18 2kbo n GLY 183 Ca -0.00 0.66 -0.02 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.13 -0.89 1.61 2.47 -0.85 -1.76 114.38 114.81 2kbo h ARG 184 Ca 0.86 0.01 0.25 0.00 -1.26 0.00 0.00 59.98 59.84 2kbo h ARG 184 Cb 3.31 0.03 -0.17 0.00 -1.65 0.00 0.00 29.97 31.49 2kbo h ARG 184 CO -0.11 -0.09 0.04 -0.11 0.56 0.00 0.00 179.97 180.26 2kbo n LEU 185 N -3.79 -0.09 0.10 3.04 7.94 0.14 0.23 117.00 124.57 2kbo n LEU 185 Ca -0.02 1.52 -0.06 0.00 -1.11 0.00 0.00 56.01 56.34 2kbo n LEU 185 Cb 0.06 -0.56 -0.03 0.00 0.53 0.00 0.00 43.42 43.41 2kbo n LEU 185 CO 0.04 -1.55 0.51 0.03 -1.11 0.00 0.00 177.39 175.31 2kbo h ARG 186 N 0.00 -0.33 -0.25 1.96 -0.00 -1.20 -2.42 114.38 112.15 2kbo h ARG 186 Ca 0.55 0.02 0.02 0.00 -0.50 0.00 0.00 59.98 60.08 2kbo h ARG 186 Cb 1.16 0.07 -0.04 0.00 0.00 0.00 0.00 29.97 31.17 2kbo h ARG 186 CO -0.83 -0.22 -0.20 0.00 0.00 0.00 0.00 179.97 178.71 2kbo h ALA 187 N -1.44 -0.34 -0.92 0.04 0.00 0.38 1.26 119.26 118.25 2kbo h ALA 187 Ca -0.02 0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.17 2kbo h ALA 187 Cb 0.30 0.99 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 2kbo h ALA 187 CO -0.03 -0.46 0.30 -0.84 0.00 0.00 0.00 179.25 178.23 2kbo h ILE 188 N -0.07 0.27 0.08 0.00 -0.00 0.46 0.12 117.51 118.38 2kbo h ILE 188 Ca 0.04 -0.07 -0.00 0.00 -0.00 0.00 0.00 64.86 64.83 2kbo h ILE 188 Cb 0.18 0.05 0.00 0.00 -0.00 0.00 0.00 36.82 37.05 2kbo h ILE 188 CO -0.27 0.04 -0.04 0.25 -0.00 0.00 0.00 178.15 178.13 2kbo h LEU 189 N 0.21 -0.10 -0.82 0.16 5.85 -0.72 -3.24 115.31 116.65 2kbo h LEU 189 Ca 0.61 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2kbo h LEU 189 Cb 1.29 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2kbo h LEU 189 CO -0.67 0.52 0.00 0.00 -0.34 0.00 0.00 178.44 177.95 2kbo n GLN 190 N -4.82 0.13 -3.80 1.25 6.02 0.42 -4.76 117.38 111.82 2kbo n GLN 190 Ca -0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.74 2kbo n GLN 190 Cb 0.20 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 0.27 -1.48 -4.66 1.08 6.94 0.35 -4.62 115.26 113.14 2kbo n ASN 191 Ca 0.00 -0.59 -0.57 0.00 -0.02 0.00 0.00 54.58 53.40 2kbo n ASN 191 Cb 0.03 -0.72 -0.07 0.00 -2.36 0.00 0.00 39.78 36.66 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 -2.79 1.10 0.00 -3.83 7.27 -0.94 -4.64 117.38 113.56 2kbo n GLN 192 Ca -0.07 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.40 2kbo n GLN 192 Cb 0.26 -2.13 0.00 0.00 2.41 0.00 0.00 30.24 30.78 2kbo n GLN 192 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2kbo n GLU 193 N 5.87 0.00 0.00 3.69 1.02 -1.26 -5.04 120.64 124.91 2kbo n GLU 193 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2kbo n GLU 193 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 2kbo n GLU 193 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60