#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbo n MET 2 N 0.00 -1.74 -2.79 1.57 0.00 -1.26 -4.87 117.12 108.02 2kbo n MET 2 Ca 0.00 0.79 -0.43 0.00 0.00 0.00 0.00 57.70 58.06 2kbo n MET 2 Cb 0.00 -5.10 -0.01 0.00 0.00 0.00 0.00 33.22 28.11 2kbo n MET 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2kbo s LEU 3 N -5.60 4.51 0.37 4.03 1.43 -1.26 -4.80 118.68 117.37 2kbo s LEU 3 Ca 0.40 -2.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.08 2kbo s LEU 3 Cb -0.09 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.66 2kbo s LEU 3 CO 0.79 -1.04 0.00 -1.14 0.23 0.00 0.00 176.35 175.19 2kbo n ARG 4 N 7.02 -4.70 -3.01 1.70 0.63 -1.26 -4.77 116.66 112.27 2kbo n ARG 4 Ca 0.36 3.41 -0.44 0.00 -0.92 0.00 0.00 57.85 60.26 2kbo n ARG 4 Cb 0.46 -3.77 -0.03 0.00 0.45 0.00 0.00 32.46 29.58 2kbo n ARG 4 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2kbo s HIS 5 N -2.13 3.18 0.00 -0.14 3.76 -1.26 -4.90 115.29 113.79 2kbo s HIS 5 Ca 0.00 -1.37 0.00 0.00 -0.15 0.00 0.00 55.06 53.54 2kbo s HIS 5 Cb 0.00 -4.17 0.00 0.00 1.11 0.00 0.00 32.58 29.52 2kbo s HIS 5 CO 0.00 -1.39 0.00 -1.13 -0.85 0.00 0.00 174.74 171.37 2kbo n SER 6 N 6.18 0.00 -2.68 1.40 3.41 -1.26 -5.10 113.62 115.57 2kbo n SER 6 Ca 0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.71 2kbo n SER 6 Cb 0.48 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.00 0.30 0.00 4.33 0.00 -1.26 -5.01 117.12 115.48 2kbo n MET 7 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 57.70 56.74 2kbo n MET 7 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 33.22 32.73 2kbo n MET 7 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2kbo n ASP 8 N 1.28 0.00 -3.12 3.17 9.92 -1.26 -4.99 116.55 121.55 2kbo n ASP 8 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 2kbo n ASP 8 Cb 0.70 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.18 2kbo n ASP 8 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2kbo n PRO 9 N 0.00 0.51 0.00 -0.24 -0.02 -1.26 -4.21 135.00 129.78 2kbo n PRO 9 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kbo n PRO 9 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2kbo n PRO 9 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kbo n PRO 10 N -0.69 0.00 0.19 0.52 -0.02 -1.26 -1.16 135.00 132.58 2kbo n PRO 10 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 2kbo n PRO 10 Cb 0.00 -1.33 0.33 0.00 -0.02 0.00 0.00 33.50 32.47 2kbo n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kbo h THR 11 N 0.00 0.73 0.07 3.45 1.03 -1.94 -3.21 112.91 113.05 2kbo h THR 11 Ca 0.00 -1.48 -0.30 0.00 -0.01 0.00 0.00 66.41 64.62 2kbo h THR 11 Cb 0.00 1.96 -0.02 0.00 -1.07 0.00 0.00 68.15 69.01 2kbo h THR 11 CO 0.00 0.33 -1.60 0.15 -0.01 0.00 0.00 175.52 174.38 2kbo h PHE 12 N 0.00 0.28 -1.22 0.00 3.57 -1.31 -3.35 116.94 114.91 2kbo h PHE 12 Ca -0.00 -0.20 0.35 0.00 3.53 0.00 0.00 57.97 61.64 2kbo h PHE 12 Cb 0.93 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.58 2kbo h PHE 12 CO 0.00 1.63 0.83 1.79 -2.23 0.00 0.00 178.31 180.33 2kbo h THR 13 N -0.44 0.37 -0.16 4.41 1.35 -1.71 0.14 112.91 116.87 2kbo h THR 13 Ca -0.38 -0.05 0.05 0.00 -0.55 0.00 0.00 66.41 65.48 2kbo h THR 13 Cb 1.69 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 2kbo h THR 13 CO -0.04 0.03 1.04 0.33 -0.25 0.00 0.00 175.52 176.62 2kbo n PHE 14 N -4.42 0.00 0.00 4.73 7.35 -1.21 -4.27 117.46 119.64 2kbo n PHE 14 Ca 0.29 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 2kbo n PHE 14 Cb 1.20 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 40.99 2kbo n PHE 14 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2kbo n ASN 15 N -2.62 0.00 -0.35 -2.13 0.23 0.50 -5.02 115.26 105.88 2kbo n ASN 15 Ca 0.04 0.00 0.24 0.00 -0.53 0.00 0.00 54.58 54.32 2kbo n ASN 15 Cb 1.08 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 39.26 2kbo n ASN 15 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2kbo h PHE 16 N 0.00 0.87 0.00 -2.53 3.57 -1.74 -3.44 116.94 113.66 2kbo h PHE 16 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2kbo h PHE 16 Cb 0.00 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.50 2kbo h PHE 16 CO 0.00 -0.09 0.00 -1.71 -2.23 0.00 0.00 178.31 174.28 2kbo n ASN 17 N -4.91 0.00 -0.06 0.41 5.15 -1.26 -3.55 115.26 111.05 2kbo n ASN 17 Ca 0.30 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.28 2kbo n ASN 17 Cb 0.96 -0.25 -0.00 0.00 -0.53 0.00 0.00 39.78 39.96 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 0.00 -4.75 -3.31 1.20 4.05 -1.26 -3.85 115.26 107.35 2kbo n ASN 18 Ca 0.00 0.02 -0.21 0.00 0.45 0.00 0.00 54.58 54.84 2kbo n ASN 18 Cb 0.00 -2.31 0.02 0.00 1.23 0.00 0.00 39.78 38.72 2kbo n ASN 18 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2kbo n GLU 19 N -0.77 -1.89 -2.89 1.20 -0.58 -1.23 -4.93 120.64 109.55 2kbo n GLU 19 Ca -0.01 1.51 -0.40 0.00 -0.42 0.00 0.00 57.16 57.84 2kbo n GLU 19 Cb 0.30 -3.74 -0.05 0.00 -0.57 0.00 0.00 31.44 27.38 2kbo n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kbo s PRO 20 N -3.09 4.62 0.00 3.49 0.04 -1.25 -5.07 135.00 133.75 2kbo s PRO 20 Ca 0.21 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2kbo s PRO 20 Cb -0.03 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2kbo s PRO 20 CO 0.83 0.42 0.00 0.91 0.04 0.00 0.00 177.00 179.20 2kbo n TRP 21 N 2.11 0.00 -0.14 0.56 8.01 -1.26 -5.03 117.44 121.69 2kbo n TRP 21 Ca -0.03 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.88 2kbo n TRP 21 Cb 0.49 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.68 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 1.53 -1.56 -0.99 0.31 -1.26 -4.91 118.33 111.45 2kbo n VAL 22 Ca 0.00 -0.39 -0.49 0.00 -0.01 0.00 0.00 64.34 63.45 2kbo n VAL 22 Cb 0.00 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.03 2kbo n VAL 22 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2kbo n ARG 23 N -4.15 1.56 -1.49 5.55 3.00 -1.26 -4.58 116.66 115.29 2kbo n ARG 23 Ca -0.52 0.49 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2kbo n ARG 23 Cb 0.89 -2.64 0.00 0.00 0.00 0.00 0.00 32.46 30.71 2kbo n ARG 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kbo n GLY 24 N 5.64 3.27 0.00 5.14 0.00 -1.26 -5.13 105.19 112.85 2kbo n GLY 24 Ca 0.33 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 0.19 1.61 1.74 -1.26 -4.86 116.66 114.08 2kbo n ARG 25 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 2kbo n ARG 25 Cb 0.00 0.00 0.38 0.00 -1.02 0.00 0.00 32.46 31.82 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 0.00 -3.24 -1.55 3.86 -2.01 -3.39 115.15 108.82 2kbo h HIS 26 Ca 0.00 0.00 -0.75 0.00 -1.16 0.00 0.00 60.37 58.46 2kbo h HIS 26 Cb 0.00 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 28.24 2kbo h HIS 26 CO 0.00 0.00 0.43 -1.21 0.86 0.00 0.00 177.93 178.01 2kbo s GLU 27 N -3.29 3.65 0.79 2.45 0.41 -1.26 -2.87 118.70 118.58 2kbo s GLU 27 Ca 0.06 -2.26 -0.11 0.00 -0.41 0.00 0.00 54.97 52.26 2kbo s GLU 27 Cb 0.08 -4.64 0.09 0.00 -1.78 0.00 0.00 34.13 27.88 2kbo s GLU 27 CO 0.59 -1.48 1.14 0.99 -0.49 0.00 0.00 175.26 176.01 2kbo s THR 28 N 1.05 2.09 -0.30 3.63 2.01 -1.26 -4.63 115.64 118.23 2kbo s THR 28 Ca 0.25 -0.10 -0.13 0.00 0.31 0.00 0.00 61.69 62.02 2kbo s THR 28 Cb -0.08 -2.99 0.17 0.00 0.01 0.00 0.00 72.50 69.61 2kbo s THR 28 CO -0.09 0.00 0.95 -0.47 -0.69 0.00 0.00 174.62 174.32 2kbo s TYR 29 N -3.50 -0.76 -0.17 4.92 5.04 -1.26 -4.54 117.35 117.08 2kbo s TYR 29 Ca 0.63 1.13 -0.35 0.00 -2.44 0.00 0.00 57.07 56.04 2kbo s TYR 29 Cb -0.10 0.39 0.14 0.00 0.35 0.00 0.00 41.96 42.73 2kbo s TYR 29 CO 0.48 -0.39 1.25 -0.48 -1.34 0.00 0.00 175.55 175.06 2kbo s LEU 30 N 2.63 -0.11 0.06 6.97 0.05 -1.26 -4.83 118.68 122.19 2kbo s LEU 30 Ca 0.00 -0.03 0.07 0.00 0.05 0.00 0.00 54.13 54.22 2kbo s LEU 30 Cb -0.08 1.34 -0.04 0.00 -2.05 0.00 0.00 46.19 45.36 2kbo s LEU 30 CO -0.16 -0.22 -0.15 0.00 -0.55 0.00 0.00 176.35 175.26 2kbo s TYR 32 N -1.03 -0.19 -0.11 0.00 1.13 -1.11 -0.26 117.35 115.78 2kbo s TYR 32 Ca 0.17 0.53 0.03 0.00 -1.41 0.00 0.00 57.07 56.39 2kbo s TYR 32 Cb -0.11 -0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.70 2kbo s TYR 32 CO 0.08 -0.17 -0.23 -1.21 -2.51 0.00 0.00 175.55 171.51 2kbo s GLU 33 N 1.14 2.99 0.02 -3.49 2.02 0.39 -3.87 118.70 117.90 2kbo s GLU 33 Ca -0.09 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.00 2kbo s GLU 33 Cb -0.11 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.80 2kbo s GLU 33 CO -0.06 0.11 0.09 0.54 0.02 0.00 0.00 175.26 175.95 2kbo s VAL 34 N 0.52 0.11 0.10 2.63 0.11 -1.26 0.20 120.40 122.81 2kbo s VAL 34 Ca -0.15 -0.91 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 2kbo s VAL 34 Cb -0.17 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 2kbo s VAL 34 CO 0.05 -0.50 -0.09 -1.83 -3.33 0.00 0.00 175.10 169.40 2kbo s GLU 35 N -1.91 0.83 0.02 1.54 -1.05 -0.98 -4.83 118.70 112.33 2kbo s GLU 35 Ca -0.11 -1.20 0.01 0.00 -0.15 0.00 0.00 54.97 53.52 2kbo s GLU 35 Cb -0.05 -0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 33.17 2kbo s GLU 35 CO -0.01 0.05 0.08 -0.98 0.95 0.00 0.00 175.26 175.35 2kbo s ARG 36 N -3.06 3.02 -0.16 -4.83 1.70 -1.26 -2.36 118.95 112.00 2kbo s ARG 36 Ca 0.07 -0.55 -0.05 0.00 -0.47 0.00 0.00 55.73 54.73 2kbo s ARG 36 Cb -0.01 -2.82 -0.03 0.00 -0.57 0.00 0.00 34.95 31.52 2kbo s ARG 36 CO -0.01 0.62 0.02 -1.64 -1.08 0.00 0.00 175.30 173.21 2kbo s MET 37 N -1.95 3.73 -0.55 3.89 -1.94 0.75 -1.56 119.30 121.67 2kbo s MET 37 Ca 0.25 -0.41 -0.16 0.00 -1.71 0.00 0.00 55.69 53.66 2kbo s MET 37 Cb -0.12 -3.05 0.13 0.00 2.01 0.00 0.00 34.83 33.81 2kbo s MET 37 CO 0.17 0.33 0.51 -1.58 -0.01 0.00 0.00 175.02 174.43 2kbo s HIS 38 N 0.17 3.29 0.00 -0.03 2.46 -0.29 -2.72 115.29 118.18 2kbo s HIS 38 Ca 0.02 -1.36 0.00 0.00 0.47 0.00 0.00 55.06 54.19 2kbo s HIS 38 Cb -0.13 -3.79 0.00 0.00 -0.13 0.00 0.00 32.58 28.54 2kbo s HIS 38 CO 0.01 -1.02 0.00 -1.71 -2.47 0.00 0.00 174.74 169.56 2kbo n ASN 39 N 5.16 -1.90 -0.15 9.88 2.85 -1.25 -2.34 115.26 127.51 2kbo n ASN 39 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 2kbo n ASN 39 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 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 -2.26 0.00 -4.14 1.20 9.92 -1.26 -4.50 116.55 115.51 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 -1.40 0.56 0.10 -3.53 -1.32 -0.99 -5.15 115.64 103.92 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 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 2kbo s THR 41 CO 0.00 0.00 0.04 -1.66 -2.21 0.00 0.00 174.62 170.79 2kbo s TRP 42 N -3.49 3.05 0.22 9.09 -2.14 -1.26 -1.13 118.94 123.28 2kbo s TRP 42 Ca 0.34 -0.01 0.10 0.00 2.66 0.00 0.00 56.10 59.19 2kbo s TRP 42 Cb 0.05 -1.54 -0.05 0.00 -3.10 0.00 0.00 33.47 28.84 2kbo s TRP 42 CO 0.16 0.50 -0.18 0.08 -2.66 0.00 0.00 176.95 174.85 2kbo s VAL 43 N -1.42 2.08 -0.28 -0.66 1.01 -0.60 -4.73 120.40 115.80 2kbo s VAL 43 Ca 0.28 -2.20 0.03 0.00 0.00 0.00 0.00 61.98 60.08 2kbo s VAL 43 Cb -0.11 -2.10 0.07 0.00 0.00 0.00 0.00 36.38 34.24 2kbo s VAL 43 CO 0.20 -0.42 -0.05 -0.76 0.00 0.00 0.00 175.10 174.07 2kbo s LEU 44 N -3.18 3.77 1.01 3.92 1.43 -1.26 -4.28 118.68 120.08 2kbo s LEU 44 Ca 0.24 -1.62 -0.24 0.00 -1.03 0.00 0.00 54.13 51.47 2kbo s LEU 44 Cb -0.04 -1.53 -0.10 0.00 0.03 0.00 0.00 46.19 44.55 2kbo s LEU 44 CO 0.10 -0.26 -1.03 0.00 0.23 0.00 0.00 176.35 175.39 2kbo n LEU 45 N 4.40 -2.74 -1.81 1.79 -0.00 -1.26 -4.85 117.00 112.54 2kbo n LEU 45 Ca -0.08 -0.05 0.03 0.00 -0.00 0.00 0.00 56.01 55.92 2kbo n LEU 45 Cb 0.42 -0.62 0.36 0.00 -0.00 0.00 0.00 43.42 43.58 2kbo n LEU 45 CO 0.21 -2.64 0.90 0.59 -0.00 0.00 0.00 177.39 176.45 2kbo n ASN 46 N 2.00 5.24 -0.94 1.45 3.02 -1.26 -4.95 115.26 119.83 2kbo n ASN 46 Ca -0.01 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 2kbo n ASN 46 Cb 0.68 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2kbo n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbo n GLN 47 N 0.24 2.83 0.00 3.52 6.02 -1.26 -5.12 117.38 123.61 2kbo n GLN 47 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2kbo n GLN 47 Cb 1.22 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.48 2kbo n GLN 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kbo n ARG 48 N 0.00 0.00 -3.92 -1.09 1.74 -1.26 -5.13 116.66 106.99 2kbo n ARG 48 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2kbo n ARG 48 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 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 -0.76 0.32 -0.06 5.56 1.70 -1.26 -4.91 118.95 119.53 2kbo s ARG 49 Ca 0.00 -0.42 -0.29 0.00 -0.47 0.00 0.00 55.73 54.54 2kbo s ARG 49 Cb 0.00 0.12 0.11 0.00 -0.57 0.00 0.00 34.95 34.61 2kbo s ARG 49 CO 0.00 -0.06 0.91 0.20 -1.08 0.00 0.00 175.30 175.26 2kbo s GLY 50 N -1.16 -0.41 0.17 3.88 0.00 -1.25 -5.04 107.32 103.51 2kbo s GLY 50 Ca -0.13 1.41 -0.23 0.00 0.00 0.00 0.00 44.72 45.77 2kbo s GLY 50 CO -0.00 0.64 1.06 -0.12 0.00 0.00 0.00 173.10 174.68 2kbo s PHE 51 N -2.22 0.07 -0.13 1.90 5.36 -1.26 -2.75 117.98 118.95 2kbo s PHE 51 Ca 0.01 -0.45 -0.27 0.00 -0.96 0.00 0.00 56.93 55.26 2kbo s PHE 51 Cb -0.01 0.69 0.06 0.00 -0.34 0.00 0.00 43.02 43.43 2kbo s PHE 51 CO -0.03 -0.87 0.65 -0.48 -1.46 0.00 0.00 175.22 173.02 2kbo s LEU 52 N -3.45 -0.49 0.56 6.12 0.05 -1.26 -5.07 118.68 115.13 2kbo s LEU 52 Ca 0.23 0.93 0.08 0.00 0.05 0.00 0.00 54.13 55.41 2kbo s LEU 52 Cb -0.02 2.34 0.07 0.00 -2.05 0.00 0.00 46.19 46.52 2kbo s LEU 52 CO 0.05 -0.44 0.65 0.00 -0.55 0.00 0.00 176.35 176.06 2kbo n ASN 54 N -2.07 -7.78 -4.49 0.00 4.13 -1.14 -4.90 115.26 99.02 2kbo n ASN 54 Ca 0.10 -0.07 -0.43 0.00 1.68 0.00 0.00 54.58 55.86 2kbo n ASN 54 Cb 0.62 -5.30 -0.05 0.00 -1.54 0.00 0.00 39.78 33.52 2kbo n ASN 54 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2kbo s GLN 55 N -3.00 3.23 0.26 3.52 0.74 -1.26 -5.03 119.66 118.12 2kbo s GLN 55 Ca 0.00 -0.56 0.09 0.00 0.05 0.00 0.00 55.36 54.94 2kbo s GLN 55 Cb -0.00 -4.10 -0.04 0.00 1.10 0.00 0.00 33.01 29.97 2kbo s GLN 55 CO 0.75 -1.45 0.05 0.00 -0.55 0.00 0.00 175.29 174.08 2kbo s ALA 56 N 3.53 3.27 -0.97 1.58 0.00 -1.26 -4.96 121.76 122.94 2kbo s ALA 56 Ca 0.24 -1.59 -0.24 0.00 0.00 0.00 0.00 51.96 50.38 2kbo s ALA 56 Cb -0.15 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 2kbo s ALA 56 CO 0.15 0.27 1.72 -1.25 0.00 0.00 0.00 175.76 176.65 2kbo s PRO 57 N -3.70 3.05 0.00 0.00 0.04 -1.26 -4.78 135.00 128.36 2kbo s PRO 57 Ca 0.32 -0.73 0.20 0.00 0.04 0.00 0.00 61.00 60.83 2kbo s PRO 57 Cb -0.07 -5.21 1.21 0.00 0.04 0.00 0.00 34.50 30.47 2kbo s PRO 57 CO 0.21 -2.84 1.68 1.58 0.04 0.00 0.00 177.00 177.67 2kbo n HIS 58 N 11.58 0.00 -3.13 0.56 -0.00 -1.26 -4.85 115.22 118.12 2kbo n HIS 58 Ca 0.37 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.54 2kbo n HIS 58 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2kbo n HIS 58 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2kbo n LYS 59 N -0.87 0.10 -2.29 1.57 0.00 -1.26 -5.16 118.16 110.24 2kbo n LYS 59 Ca 0.15 -0.21 -0.33 0.00 -0.00 0.00 0.00 58.31 57.92 2kbo n LYS 59 Cb 0.07 0.25 -0.01 0.00 -0.00 0.00 0.00 35.03 35.34 2kbo n LYS 59 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2kbo s HIS 60 N -8.03 3.03 0.00 5.58 3.76 -1.26 -4.53 115.29 113.84 2kbo s HIS 60 Ca 0.02 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 2kbo s HIS 60 Cb -0.00 -3.02 0.00 0.00 1.11 0.00 0.00 32.58 30.67 2kbo s HIS 60 CO 0.01 -0.93 0.00 0.41 -0.85 0.00 0.00 174.74 173.38 2kbo n GLY 61 N -0.70 0.76 3.67 -2.22 0.00 -1.26 -5.06 105.19 100.39 2kbo n GLY 61 Ca 0.09 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 2kbo n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kbo s PHE 62 N -2.47 3.42 0.43 1.61 -0.12 -1.26 -5.06 117.98 114.54 2kbo s PHE 62 Ca 0.00 1.04 0.04 0.00 -0.05 0.00 0.00 56.93 57.96 2kbo s PHE 62 Cb 0.00 -2.83 0.04 0.00 -0.63 0.00 0.00 43.02 39.60 2kbo s PHE 62 CO 0.00 -0.12 0.32 1.28 -0.05 0.00 0.00 175.22 176.64 2kbo n LEU 63 N 4.79 0.00 0.00 -1.99 4.77 -1.26 -5.14 117.00 118.17 2kbo n LEU 63 Ca -0.01 -2.26 -0.02 0.00 -0.03 0.00 0.00 56.01 53.69 2kbo n LEU 63 Cb 0.50 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2kbo n LEU 63 CO 0.45 -0.51 0.06 -0.62 -1.33 0.00 0.00 177.39 175.44 2kbo n GLU 64 N -1.51 -0.71 -1.43 3.23 4.71 -1.26 -4.85 120.64 118.82 2kbo n GLU 64 Ca -0.02 -0.16 -0.53 0.00 -0.01 0.00 0.00 57.16 56.45 2kbo n GLU 64 Cb 0.49 -0.13 -0.08 0.00 -1.01 0.00 0.00 31.44 30.72 2kbo n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kbo n GLY 65 N 2.93 0.42 3.61 0.62 0.00 -1.26 -4.90 105.19 106.61 2kbo n GLY 65 Ca 0.01 0.97 -0.41 0.00 0.00 0.00 0.00 46.02 46.59 2kbo n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbo s ARG 66 N 5.94 4.01 0.28 1.61 0.52 -1.26 -5.00 118.95 125.05 2kbo s ARG 66 Ca 1.10 0.37 0.07 0.00 -0.52 0.00 0.00 55.73 56.76 2kbo s ARG 66 Cb -0.99 -3.68 -0.03 0.00 0.52 0.00 0.00 34.95 30.77 2kbo s ARG 66 CO 0.53 -0.45 0.24 -1.01 0.02 0.00 0.00 175.30 174.63 2kbo s HIS 67 N 2.48 3.06 0.09 -0.53 3.76 -1.26 -4.82 115.29 118.07 2kbo s HIS 67 Ca 0.24 -0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 54.97 2kbo s HIS 67 Cb -0.15 -1.55 0.18 0.00 1.11 0.00 0.00 32.58 32.17 2kbo s HIS 67 CO 0.10 0.40 0.47 0.00 -0.85 0.00 0.00 174.74 174.86 2kbo n ALA 68 N -1.27 0.11 -0.06 -1.40 0.00 -1.26 0.43 120.51 117.05 2kbo n ALA 68 Ca -0.06 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 2kbo n ALA 68 Cb 0.58 -0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.28 0.00 0.00 9.09 -1.94 -0.22 114.58 121.23 2kbo h GLU 69 Ca 0.16 0.02 -0.05 0.00 0.05 0.00 0.00 59.36 59.54 2kbo h GLU 69 Cb 0.29 0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.44 2kbo h GLU 69 CO -0.30 -0.19 -0.26 -0.07 0.05 0.00 0.00 179.01 178.25 2kbo h LEU 70 N -0.30 0.00 0.06 3.06 -0.00 -0.33 -2.92 115.31 114.89 2kbo h LEU 70 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.93 2kbo h LEU 70 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 2kbo h LEU 70 CO -0.35 0.26 -0.36 0.00 -0.00 0.00 0.00 178.44 177.99 2kbo h PHE 72 N -0.49 0.94 -1.63 0.00 -5.15 -1.50 -0.28 116.94 108.82 2kbo h PHE 72 Ca -0.00 -0.16 0.47 0.00 -0.20 0.00 0.00 57.97 58.08 2kbo h PHE 72 Cb 0.50 -0.25 -0.07 0.00 0.22 0.00 0.00 35.95 36.36 2kbo h PHE 72 CO -0.42 0.88 1.35 -0.11 -2.00 0.00 0.00 178.31 178.01 2kbo n LEU 73 N -4.34 0.00 0.03 2.10 7.94 -0.95 0.37 117.00 122.15 2kbo n LEU 73 Ca 0.01 0.90 0.06 0.00 -1.11 0.00 0.00 56.01 55.87 2kbo n LEU 73 Cb 0.31 -0.41 -0.09 0.00 0.53 0.00 0.00 43.42 43.76 2kbo n LEU 73 CO 0.42 -0.90 -0.42 0.47 -1.11 0.00 0.00 177.39 175.85 2kbo n ASP 74 N -3.66 0.52 -0.04 1.96 9.92 -0.13 -4.42 116.55 120.71 2kbo n ASP 74 Ca 0.37 0.21 -0.14 0.00 -0.53 0.00 0.00 54.79 54.70 2kbo n ASP 74 Cb 1.84 0.87 -0.11 0.00 -0.64 0.00 0.00 41.12 43.08 2kbo n ASP 74 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2kbo h VAL 75 N 0.00 1.55 -0.88 2.53 3.04 0.71 -3.29 116.25 119.92 2kbo h VAL 75 Ca -0.10 -1.67 0.15 0.00 -1.01 0.00 0.00 66.70 64.07 2kbo h VAL 75 Cb 1.29 2.67 -0.15 0.00 -2.01 0.00 0.00 31.29 33.09 2kbo h VAL 75 CO 0.02 0.44 -0.30 -0.38 -1.01 0.00 0.00 177.57 176.33 2kbo n ILE 76 N -4.72 -0.43 0.88 3.17 2.08 -0.80 0.35 119.36 119.89 2kbo n ILE 76 Ca -0.09 2.05 0.08 0.00 0.56 0.00 0.00 62.75 65.35 2kbo n ILE 76 Cb 0.36 -2.75 0.45 0.00 -0.75 0.00 0.00 39.64 36.95 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 0.34 0.02 0.38 -0.04 -1.25 -2.82 135.00 126.29 2kbo n PRO 77 Ca 0.11 0.09 -0.19 0.00 -0.04 0.00 0.00 63.50 63.47 2kbo n PRO 77 Cb 0.38 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.75 0.00 0.54 3.04 0.61 -3.24 116.94 118.64 2kbo h PHE 78 Ca 0.00 -0.42 -0.09 0.00 3.98 0.00 0.00 57.97 61.44 2kbo h PHE 78 Cb 0.10 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 2kbo h PHE 78 CO 0.00 1.25 -0.41 -1.49 -2.02 0.00 0.00 178.31 175.64 2kbo h TRP 79 N 0.04 0.00 -5.87 0.41 6.55 -1.41 -3.48 115.95 112.19 2kbo h TRP 79 Ca -0.10 0.00 -0.35 0.00 0.95 0.00 0.00 58.89 59.39 2kbo h TRP 79 Cb 1.49 0.00 0.14 0.00 -0.86 0.00 0.00 29.16 29.92 2kbo h TRP 79 CO 0.14 0.41 -0.90 1.63 -1.05 0.00 0.00 178.44 178.67 2kbo n LYS 80 N -3.34 -1.95 0.00 0.49 5.02 -1.23 -5.01 118.16 112.14 2kbo n LYS 80 Ca 0.01 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 2kbo n LYS 80 Cb 0.61 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 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 -3.77 0.00 0.00 -0.35 4.32 -1.26 -5.10 117.00 110.84 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 0.61 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 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 1.93 -0.10 -1.43 8.00 -1.26 -5.08 116.55 118.61 2kbo n ASP 82 Ca 0.00 -0.21 -0.19 0.00 0.71 0.00 0.00 54.79 55.10 2kbo n ASP 82 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 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 1.87 0.10 0.64 -0.00 -1.26 -4.04 117.00 114.30 2kbo n LEU 83 Ca 0.00 0.45 0.03 0.00 -0.00 0.00 0.00 56.01 56.49 2kbo n LEU 83 Cb 0.00 -0.91 0.17 0.00 -0.00 0.00 0.00 43.42 42.68 2kbo n LEU 83 CO 0.00 0.13 0.67 -0.67 -0.00 0.00 0.00 177.39 177.52 2kbo n ASP 84 N -4.45 0.16 -4.65 1.96 2.03 -1.26 -4.46 116.55 105.88 2kbo n ASP 84 Ca -0.29 0.38 -0.24 0.00 0.52 0.00 0.00 54.79 55.16 2kbo n ASP 84 Cb 0.61 -0.32 0.11 0.00 -0.72 0.00 0.00 41.12 40.80 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 -2.93 1.66 0.30 -0.67 -1.52 -1.26 -3.89 119.66 111.36 2kbo s GLN 85 Ca -0.01 -0.89 -0.05 0.00 -1.95 0.00 0.00 55.36 52.47 2kbo s GLN 85 Cb 0.02 -2.26 -0.00 0.00 -0.22 0.00 0.00 33.01 30.54 2kbo s GLN 85 CO 0.06 -1.50 0.43 -0.51 -0.25 0.00 0.00 175.29 173.52 2kbo s ASP 86 N -4.71 0.60 0.01 5.90 1.01 -1.10 -4.89 116.67 113.50 2kbo s ASP 86 Ca 0.66 -1.35 0.01 0.00 0.71 0.00 0.00 52.55 52.58 2kbo s ASP 86 Cb -0.06 0.61 -0.01 0.00 1.01 0.00 0.00 42.92 44.47 2kbo s ASP 86 CO 0.45 -1.20 -0.04 -0.31 0.21 0.00 0.00 175.17 174.28 2kbo s TYR 87 N -3.42 0.33 -0.45 4.23 2.02 -1.26 -0.18 117.35 118.62 2kbo s TYR 87 Ca 0.30 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.87 2kbo s TYR 87 Cb 0.00 -0.21 0.14 0.00 -0.40 0.00 0.00 41.96 41.49 2kbo s TYR 87 CO 0.17 -0.03 0.25 1.03 -1.57 0.00 0.00 175.55 175.40 2kbo s ARG 88 N -0.39 1.35 0.19 -0.62 0.52 -1.00 -3.69 118.95 115.30 2kbo s ARG 88 Ca -0.02 -2.08 -0.17 0.00 -0.52 0.00 0.00 55.73 52.94 2kbo s ARG 88 Cb -0.03 -2.39 -0.08 0.00 0.52 0.00 0.00 34.95 32.97 2kbo s ARG 88 CO -0.00 -1.17 0.64 0.08 0.02 0.00 0.00 175.30 174.87 2kbo s VAL 89 N 0.25 4.70 -0.08 3.52 1.01 -0.26 -2.33 120.40 127.22 2kbo s VAL 89 Ca 0.18 1.08 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 2kbo s VAL 89 Cb -0.23 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2kbo s VAL 89 CO -0.01 0.23 0.01 -0.89 0.00 0.00 0.00 175.10 174.44 2kbo s THR 90 N -1.49 0.35 -0.00 3.92 2.01 0.54 -1.50 115.64 119.47 2kbo s THR 90 Ca 0.40 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.52 2kbo s THR 90 Cb -0.16 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 2kbo s THR 90 CO 0.20 0.23 0.05 0.00 -0.69 0.00 0.00 174.62 174.41 2kbo s PHE 92 N -1.15 1.44 -0.16 0.00 0.08 0.65 -2.25 117.98 116.59 2kbo s PHE 92 Ca 0.21 -1.52 -0.07 0.00 0.12 0.00 0.00 56.93 55.67 2kbo s PHE 92 Cb -0.12 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 40.87 2kbo s PHE 92 CO 0.12 -0.84 0.35 0.99 -0.10 0.00 0.00 175.22 175.73 2kbo s THR 93 N 1.71 -0.26 -1.74 0.64 2.01 -1.21 -0.58 115.64 116.21 2kbo s THR 93 Ca 0.08 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2kbo s THR 93 Cb -0.17 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.80 2kbo s THR 93 CO -0.25 0.07 0.31 -0.24 -0.69 0.00 0.00 174.62 173.81 2kbo n SER 94 N 4.76 0.00 -4.27 3.53 2.88 -1.26 -3.42 113.62 115.85 2kbo n SER 94 Ca -0.16 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.09 2kbo n SER 94 Cb 0.52 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.83 2kbo n SER 94 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2kbo s TRP 95 N -1.83 2.04 0.10 0.66 -0.00 -1.26 -1.21 118.94 117.44 2kbo s TRP 95 Ca 0.00 -0.39 -0.01 0.00 -0.00 0.00 0.00 56.10 55.71 2kbo s TRP 95 Cb 0.00 -1.29 0.02 0.00 -0.00 0.00 0.00 33.47 32.20 2kbo s TRP 95 CO 0.00 0.00 0.13 -1.13 -0.00 0.00 0.00 176.95 175.96 2kbo n SER 96 N 2.32 0.11 -1.06 5.86 3.41 -1.26 -4.83 113.62 118.17 2kbo n SER 96 Ca -0.16 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 2kbo n SER 96 Cb 0.52 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.26 3.56 -3.63 4.33 -0.04 -1.26 -4.99 135.00 131.70 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 0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.47 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 0.27 0.18 -0.01 0.00 -1.74 -1.26 0.74 117.46 115.64 2kbo n PHE 99 Ca -0.18 0.94 -0.01 0.00 -0.56 0.00 0.00 57.45 57.65 2kbo n PHE 99 Cb 0.61 -0.89 -0.00 0.00 1.52 0.00 0.00 39.48 40.72 2kbo n PHE 99 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2kbo n SER 100 N -5.21 0.28 -0.26 5.98 2.88 -1.26 -2.54 113.62 113.49 2kbo n SER 100 Ca 0.11 0.24 0.29 0.00 -1.33 0.00 0.00 58.87 58.18 2kbo n SER 100 Cb 0.36 -0.55 0.45 0.00 -0.75 0.00 0.00 64.21 63.71 2kbo n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbo h ALA 102 N 0.54 0.22 0.22 0.00 0.00 0.14 -2.93 119.26 117.45 2kbo h ALA 102 Ca 0.51 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2kbo h ALA 102 Cb 2.84 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 20.56 2kbo h ALA 102 CO -0.01 0.29 -0.40 1.96 0.00 0.00 0.00 179.25 181.10 2kbo h GLN 103 N 0.07 -0.68 -0.70 0.00 4.20 0.52 0.52 115.11 119.05 2kbo h GLN 103 Ca -0.01 0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.81 2kbo h GLN 103 Cb 0.98 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 28.83 2kbo h GLN 103 CO 0.08 -0.45 -0.41 0.39 -0.67 0.00 0.00 178.83 177.77 2kbo n GLU 104 N -5.47 -0.31 0.00 1.46 -0.58 -0.92 -0.10 120.64 114.73 2kbo n GLU 104 Ca -0.08 1.13 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 2kbo n GLU 104 Cb 0.38 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2kbo n GLU 104 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2kbo n MET 105 N -4.76 0.00 -0.18 3.49 1.56 -0.79 -2.52 117.12 113.92 2kbo n MET 105 Ca 0.01 0.56 0.09 0.00 -0.27 0.00 0.00 57.70 58.09 2kbo n MET 105 Cb 0.18 -1.47 0.17 0.00 2.15 0.00 0.00 33.22 34.25 2kbo n MET 105 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kbo n ALA 106 N -2.09 0.30 -0.04 -5.12 0.00 0.18 0.66 120.51 114.41 2kbo n ALA 106 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2kbo n ALA 106 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -4.55 0.00 -0.52 0.00 5.02 0.86 0.31 118.16 119.28 2kbo n LYS 107 Ca 0.13 0.64 0.40 0.00 -2.02 0.00 0.00 58.31 57.46 2kbo n LYS 107 Cb 0.44 -1.48 0.62 0.00 -0.02 0.00 0.00 35.03 34.59 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 -2.25 0.13 0.00 2.13 3.01 0.21 0.15 117.46 120.85 2kbo n PHE 108 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2kbo n PHE 108 Cb 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 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 -3.70 0.00 -0.34 4.37 -0.00 0.09 -2.95 119.36 116.83 2kbo n ILE 109 Ca 0.34 0.43 0.21 0.00 -0.00 0.00 0.00 62.75 63.73 2kbo n ILE 109 Cb 1.51 -1.34 0.44 0.00 -0.00 0.00 0.00 39.64 40.25 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 0.58 -0.05 4.38 4.64 0.63 0.59 113.55 124.33 2kbo h SER 110 Ca 0.00 0.14 -0.15 0.00 -0.47 0.00 0.00 61.79 61.31 2kbo h SER 110 Cb 0.00 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2kbo h SER 110 CO 0.00 0.02 -0.48 0.11 -0.87 0.00 0.00 176.83 175.61 2kbo h LYS 111 N 0.46 0.61 -2.34 4.77 1.79 0.13 -3.39 116.57 118.60 2kbo h LYS 111 Ca 0.67 -0.35 -0.52 0.00 -2.18 0.00 0.00 60.65 58.26 2kbo h LYS 111 Cb 1.45 0.03 -0.36 0.00 -1.58 0.00 0.00 32.23 31.76 2kbo h LYS 111 CO -0.49 0.96 -0.84 -0.80 -1.08 0.00 0.00 179.45 177.21 2kbo s ASN 112 N -6.89 2.05 0.00 0.86 0.02 0.18 -4.96 114.94 106.20 2kbo s ASN 112 Ca -0.08 -2.27 0.00 0.00 -1.02 0.00 0.00 52.86 49.49 2kbo s ASN 112 Cb 0.12 -0.13 0.00 0.00 0.02 0.00 0.00 41.25 41.26 2kbo s ASN 112 CO 0.84 -0.25 0.67 2.29 0.02 0.00 0.00 177.10 180.66 2kbo n LYS 113 N 3.74 0.00 0.00 -0.60 -0.00 0.17 -2.45 118.16 119.02 2kbo n LYS 113 Ca 0.17 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 2kbo n LYS 113 Cb 0.42 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 33.91 2kbo n LYS 113 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2kbo n HIS 114 N -1.17 0.00 -4.23 5.58 -0.00 -1.26 -4.39 115.22 109.75 2kbo n HIS 114 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 2kbo n HIS 114 Cb 0.04 -0.21 -0.09 0.00 -0.12 0.00 0.00 29.99 29.61 2kbo n HIS 114 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2kbo s VAL 115 N -2.31 4.00 -0.28 3.57 1.01 -1.03 -4.15 120.40 121.21 2kbo s VAL 115 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2kbo s VAL 115 Cb 0.00 -2.84 0.09 0.00 0.00 0.00 0.00 36.38 33.63 2kbo s VAL 115 CO 0.00 0.25 0.10 -0.44 0.00 0.00 0.00 175.10 175.00 2kbo s SER 116 N -1.92 3.67 -0.12 3.32 0.01 -1.24 -5.00 113.70 112.42 2kbo s SER 116 Ca 0.22 -1.38 -0.13 0.00 1.31 0.00 0.00 55.95 55.97 2kbo s SER 116 Cb -0.12 -0.67 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 2kbo s SER 116 CO 0.14 -0.40 0.28 -0.76 0.41 0.00 0.00 173.24 172.91 2kbo s LEU 117 N 1.80 4.31 -0.50 2.44 2.01 -1.26 -1.10 118.68 126.39 2kbo s LEU 117 Ca 0.08 0.58 0.04 0.00 0.01 0.00 0.00 54.13 54.83 2kbo s LEU 117 Cb -0.17 -2.35 0.13 0.00 0.01 0.00 0.00 46.19 43.81 2kbo s LEU 117 CO -0.25 0.20 0.25 0.00 1.01 0.00 0.00 176.35 177.56 2kbo s ILE 119 N -0.10 5.11 -0.34 0.00 1.01 0.13 -1.85 121.20 125.16 2kbo s ILE 119 Ca 0.17 1.06 0.04 0.00 0.00 0.00 0.00 60.65 61.91 2kbo s ILE 119 Cb -0.25 -3.88 0.10 0.00 0.01 0.00 0.00 42.46 38.44 2kbo s ILE 119 CO -0.00 0.23 0.05 0.12 0.00 0.00 0.00 174.94 175.33 2kbo s PHE 120 N 1.21 3.67 0.17 3.97 2.19 -0.96 0.89 117.98 129.12 2kbo s PHE 120 Ca 0.27 -2.94 0.06 0.00 0.33 0.00 0.00 56.93 54.66 2kbo s PHE 120 Cb -0.16 -2.85 -0.04 0.00 -1.31 0.00 0.00 43.02 38.66 2kbo s PHE 120 CO 0.11 -0.94 0.08 0.95 1.83 0.00 0.00 175.22 177.24 2kbo s THR 121 N 0.94 4.15 -0.15 0.12 -4.23 0.22 -3.34 115.64 113.34 2kbo s THR 121 Ca 0.10 -1.23 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 2kbo s THR 121 Cb -0.19 -3.11 -0.06 0.00 1.34 0.00 0.00 72.50 70.48 2kbo s THR 121 CO -0.09 -0.11 -0.11 0.00 -0.54 0.00 0.00 174.62 173.78 2kbo n ALA 122 N -0.25 0.51 -3.54 3.99 0.00 -1.22 0.10 120.51 120.10 2kbo n ALA 122 Ca -0.09 -0.43 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 2kbo n ALA 122 Cb 0.55 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.26 0.69 0.01 0.00 1.70 -0.35 -4.45 118.95 114.28 2kbo s ARG 123 Ca -0.17 -0.07 0.02 0.00 -0.47 0.00 0.00 55.73 55.04 2kbo s ARG 123 Cb 0.03 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.72 2kbo s ARG 123 CO 0.29 -0.26 -0.06 0.96 -1.08 0.00 0.00 175.30 175.14 2kbo s ILE 124 N -2.10 0.48 -0.39 4.99 -4.36 -1.26 -4.18 121.20 114.37 2kbo s ILE 124 Ca 0.02 -0.51 0.01 0.00 -0.26 0.00 0.00 60.65 59.91 2kbo s ILE 124 Cb -0.01 -0.45 0.15 0.00 1.25 0.00 0.00 42.46 43.40 2kbo s ILE 124 CO -0.03 -0.04 0.25 -0.31 0.24 0.00 0.00 174.94 175.05 2kbo s TYR 125 N -0.54 1.10 0.27 1.37 1.51 -1.26 -4.66 117.35 115.16 2kbo s TYR 125 Ca -0.02 -1.96 0.02 0.00 -1.01 0.00 0.00 57.07 54.10 2kbo s TYR 125 Cb -0.05 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.61 2kbo s TYR 125 CO 0.00 -0.81 0.11 0.16 -1.11 0.00 0.00 175.55 173.90 2kbo s ASP 126 N 0.66 1.30 -0.51 2.29 1.47 -1.26 -5.07 116.67 115.56 2kbo s ASP 126 Ca 0.21 -1.43 0.02 0.00 1.18 0.00 0.00 52.55 52.53 2kbo s ASP 126 Cb -0.17 0.23 0.44 0.00 -0.34 0.00 0.00 42.92 43.07 2kbo s ASP 126 CO -0.04 -0.77 1.60 0.47 0.68 0.00 0.00 175.17 177.10 2kbo n ASP 127 N -0.59 6.25 0.00 2.11 8.00 -1.26 -4.86 116.55 126.20 2kbo n ASP 127 Ca 0.00 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.73 2kbo n ASP 127 Cb 0.66 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 2kbo n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kbo n GLN 128 N -0.75 0.00 0.00 -1.24 1.13 -1.26 -5.01 117.38 110.25 2kbo n GLN 128 Ca 0.52 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 2kbo n GLN 128 Cb 0.74 -0.36 0.00 0.00 0.11 0.00 0.00 30.24 30.72 2kbo n GLN 128 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kbo n GLY 129 N 0.84 0.94 0.48 1.08 0.00 -1.26 -4.50 105.19 102.77 2kbo n GLY 129 Ca 0.00 -1.55 0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.03 0.00 1.61 1.74 -1.26 0.12 116.66 118.83 2kbo n ARG 130 Ca 0.00 1.18 0.00 0.00 -0.77 0.00 0.00 57.85 58.26 2kbo n ARG 130 Cb 0.00 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 29.07 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 -1.02 0.00 -0.07 0.00 10.64 0.31 -3.61 117.38 123.63 2kbo n GLN 132 Ca 0.00 0.32 -0.02 0.00 -1.83 0.00 0.00 57.00 55.47 2kbo n GLN 132 Cb 0.05 -1.71 -0.02 0.00 -0.86 0.00 0.00 30.24 27.71 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 -1.34 -0.08 0.07 2.61 0.28 -1.08 -0.73 120.64 120.37 2kbo n GLU 133 Ca -0.00 0.75 -0.15 0.00 -0.16 0.00 0.00 57.16 57.61 2kbo n GLU 133 Cb 0.20 -1.12 -0.08 0.00 1.43 0.00 0.00 31.44 31.87 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 -0.93 -0.27 -1.84 0.00 -1.55 -1.37 103.07 97.10 2kbo h GLY 134 Ca 0.03 0.57 0.02 0.00 0.00 0.00 0.00 47.33 47.95 2kbo h GLY 134 CO -0.16 -0.25 -0.16 -0.10 0.00 0.00 0.00 176.54 175.86 2kbo n LEU 135 N -5.46 -0.29 0.29 3.11 0.00 0.09 0.27 117.00 115.00 2kbo n LEU 135 Ca -0.07 0.88 0.15 0.00 0.00 0.00 0.00 56.01 56.98 2kbo n LEU 135 Cb 0.39 -0.26 0.89 0.00 0.00 0.00 0.00 43.42 44.43 2kbo n LEU 135 CO 0.15 -0.60 1.08 -0.09 0.00 0.00 0.00 177.39 177.93 2kbo h ARG 136 N 0.00 0.00 0.04 1.96 1.12 -1.17 -1.04 114.38 115.29 2kbo h ARG 136 Ca 0.04 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2kbo h ARG 136 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 2kbo h ARG 136 CO -0.26 0.04 -0.02 1.15 -3.11 0.00 0.00 179.97 177.77 2kbo h THR 137 N 0.00 0.89 0.00 0.20 2.02 0.49 -2.31 112.91 114.21 2kbo h THR 137 Ca -0.00 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.60 2kbo h THR 137 Cb 0.12 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2kbo h THR 137 CO 0.01 0.29 -0.15 0.17 0.37 0.00 0.00 175.52 176.20 2kbo h LEU 138 N -0.97 0.00 -0.07 2.58 -0.00 -0.04 1.43 115.31 118.24 2kbo h LEU 138 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.67 2kbo h LEU 138 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2kbo h LEU 138 CO 0.01 0.15 -0.74 0.00 -0.00 0.00 0.00 178.44 177.86 2kbo h ALA 139 N 1.85 0.18 0.10 0.17 0.00 -1.28 0.61 119.26 120.89 2kbo h ALA 139 Ca -0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 54.91 53.96 2kbo h ALA 139 Cb 0.62 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2kbo h ALA 139 CO 0.02 0.53 -1.95 0.39 0.00 0.00 0.00 179.25 178.24 2kbo n GLU 140 N -4.06 0.73 0.12 0.00 -0.58 -0.87 -3.45 120.64 112.54 2kbo n GLU 140 Ca -0.09 0.27 0.20 0.00 -0.42 0.00 0.00 57.16 57.11 2kbo n GLU 140 Cb 0.73 -1.72 0.76 0.00 -0.57 0.00 0.00 31.44 30.63 2kbo n GLU 140 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kbo h ALA 141 N 0.26 2.04 0.00 0.62 0.00 0.18 -3.42 119.26 118.95 2kbo h ALA 141 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kbo h ALA 141 Cb 2.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2kbo h ALA 141 CO 0.08 -0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.15 2kbo n GLY 142 N -1.47 0.00 3.60 0.00 0.00 -1.22 -4.08 105.19 102.03 2kbo n GLY 142 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2kbo n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbo s ALA 143 N 0.00 3.54 -0.50 4.61 0.00 0.21 -4.36 121.76 125.28 2kbo s ALA 143 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 2kbo s ALA 143 Cb 0.00 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 20.06 2kbo s ALA 143 CO 0.00 -1.04 1.03 0.15 0.00 0.00 0.00 175.76 175.90 2kbo s LYS 144 N 2.60 3.55 0.16 0.00 1.02 -0.38 -4.10 119.74 122.59 2kbo s LYS 144 Ca 0.25 0.23 -0.03 0.00 0.02 0.00 0.00 55.97 56.45 2kbo s LYS 144 Cb -0.15 -3.95 -0.05 0.00 -0.52 0.00 0.00 37.83 33.16 2kbo s LYS 144 CO 0.11 -1.38 0.37 0.42 -0.92 0.00 0.00 175.35 173.96 2kbo s ILE 145 N 4.17 5.20 -0.07 2.17 -1.09 -1.26 0.20 121.20 130.52 2kbo s ILE 145 Ca 0.40 -0.17 -0.05 0.00 -2.23 0.00 0.00 60.65 58.59 2kbo s ILE 145 Cb -0.09 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 2kbo s ILE 145 CO 0.27 -0.05 0.18 -0.94 -1.23 0.00 0.00 174.94 173.17 2kbo s SER 146 N -2.77 -0.18 -0.45 3.58 1.04 0.26 -4.90 113.70 110.27 2kbo s SER 146 Ca 0.39 0.37 -0.20 0.00 0.48 0.00 0.00 55.95 56.99 2kbo s SER 146 Cb -0.12 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.37 2kbo s SER 146 CO 0.27 -0.10 0.63 -0.63 0.98 0.00 0.00 173.24 174.39 2kbo s ILE 147 N 0.50 4.84 -0.58 -1.02 -1.09 -1.26 -0.61 121.20 121.99 2kbo s ILE 147 Ca -0.03 -0.04 -0.28 0.00 -2.23 0.00 0.00 60.65 58.07 2kbo s ILE 147 Cb -0.05 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 2kbo s ILE 147 CO -0.02 -0.64 1.29 -0.32 -1.23 0.00 0.00 174.94 174.01 2kbo s MET 148 N 2.76 3.42 0.54 2.79 1.75 0.28 -4.93 119.30 125.92 2kbo s MET 148 Ca 0.20 0.33 0.08 0.00 -1.25 0.00 0.00 55.69 55.05 2kbo s MET 148 Cb -0.15 -4.06 0.08 0.00 2.84 0.00 0.00 34.83 33.53 2kbo s MET 148 CO 0.17 -1.79 0.64 0.25 -0.65 0.00 0.00 175.02 173.64 2kbo n THR 149 N 6.74 0.00 -0.30 10.11 -2.24 -1.26 -4.58 114.28 122.75 2kbo n THR 149 Ca 0.10 -1.92 -0.08 0.00 -2.27 0.00 0.00 64.05 59.89 2kbo n THR 149 Cb 0.49 -0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.05 -0.30 0.21 4.78 4.11 -1.26 0.20 117.16 122.84 2kbo n TYR 150 Ca 0.10 0.88 -0.11 0.00 -0.00 0.00 0.00 57.90 58.77 2kbo n TYR 150 Cb 0.58 -0.56 -0.05 0.00 -0.00 0.00 0.00 39.34 39.30 2kbo n TYR 150 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2kbo h SER 151 N 0.00 -0.73 -1.26 9.48 4.64 -1.99 -1.43 113.55 122.26 2kbo h SER 151 Ca 0.12 0.05 0.37 0.00 -0.47 0.00 0.00 61.79 61.85 2kbo h SER 151 Cb 0.29 0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.55 2kbo h SER 151 CO -0.66 -0.40 0.90 -0.33 -0.87 0.00 0.00 176.83 175.47 2kbo h GLU 152 N -0.63 0.03 0.14 4.77 4.39 -1.46 -0.95 114.58 120.87 2kbo h GLU 152 Ca -0.05 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2kbo h GLU 152 Cb 0.52 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2kbo h GLU 152 CO 0.02 0.02 -0.10 0.35 -1.16 0.00 0.00 179.01 178.14 2kbo h PHE 153 N 0.03 -0.27 -0.99 4.33 3.57 0.33 0.84 116.94 124.78 2kbo h PHE 153 Ca 0.61 -0.00 0.38 0.00 3.53 0.00 0.00 57.97 62.49 2kbo h PHE 153 Cb 2.38 0.10 -0.18 0.00 2.79 0.00 0.00 35.95 41.04 2kbo h PHE 153 CO -0.00 -0.14 0.44 0.87 -2.23 0.00 0.00 178.31 177.25 2kbo h LYS 154 N -0.23 0.05 -0.40 1.11 1.79 -0.70 2.09 116.57 120.28 2kbo h LYS 154 Ca -0.02 -0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.31 2kbo h LYS 154 Cb 0.19 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2kbo h LYS 154 CO 0.01 0.03 -0.29 1.25 -1.08 0.00 0.00 179.45 179.38 2kbo h HIS 155 N 0.05 1.06 -0.23 -1.35 2.76 -1.12 -2.48 115.15 113.85 2kbo h HIS 155 Ca 0.78 -0.29 0.07 0.00 -2.20 0.00 0.00 60.37 58.73 2kbo h HIS 155 Cb 1.96 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.68 2kbo h HIS 155 CO -0.10 1.10 0.31 0.00 -1.30 0.00 0.00 177.93 177.93 2kbo h TRP 157 N 0.00 0.07 0.00 0.00 6.55 -0.81 -3.12 115.95 118.63 2kbo h TRP 157 Ca 0.11 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.90 2kbo h TRP 157 Cb 0.72 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.02 2kbo h TRP 157 CO 0.00 0.99 0.13 -3.47 -1.05 0.00 0.00 178.44 175.03 2kbo n ASP 158 N -4.58 0.00 -0.11 -3.49 -0.08 0.45 -1.22 116.55 107.53 2kbo n ASP 158 Ca -0.10 0.37 -0.21 0.00 -1.51 0.00 0.00 54.79 53.34 2kbo n ASP 158 Cb 0.50 -0.37 -0.09 0.00 2.34 0.00 0.00 41.12 43.50 2kbo n ASP 158 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2kbo n THR 159 N -1.37 1.51 0.00 5.18 -1.04 -0.53 -4.85 114.28 113.18 2kbo n THR 159 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2kbo n THR 159 Cb 0.13 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 2kbo n THR 159 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2kbo n PHE 160 N -4.40 0.00 -1.93 -1.42 -1.74 -1.06 -4.98 117.46 101.93 2kbo n PHE 160 Ca -0.35 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.13 2kbo n PHE 160 Cb 0.68 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.67 2kbo n PHE 160 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2kbo s VAL 161 N -1.64 2.38 -0.56 1.97 1.01 -0.36 -4.81 120.40 118.39 2kbo s VAL 161 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2kbo s VAL 161 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2kbo s VAL 161 CO 0.00 0.07 0.39 -0.67 0.00 0.00 0.00 175.10 174.88 2kbo n ASP 162 N 1.53 1.01 -3.13 3.32 -0.08 -1.26 -3.98 116.55 113.96 2kbo n ASP 162 Ca 0.04 -1.07 0.03 0.00 -1.51 0.00 0.00 54.79 52.27 2kbo n ASP 162 Cb 0.40 -0.27 -0.00 0.00 2.34 0.00 0.00 41.12 43.58 2kbo n ASP 162 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2kbo s HIS 163 N -0.36 -1.47 -1.43 -0.67 0.09 -1.26 -4.99 115.29 105.20 2kbo s HIS 163 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 55.06 55.57 2kbo s HIS 163 Cb 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 32.58 32.84 2kbo s HIS 163 CO 0.00 -0.93 0.52 1.04 -0.00 0.00 0.00 174.74 175.37 2kbo n GLN 164 N 4.72 0.00 -2.46 1.40 6.02 -1.26 -0.30 117.38 125.51 2kbo n GLN 164 Ca 0.08 0.09 -0.15 0.00 -0.01 0.00 0.00 57.00 57.01 2kbo n GLN 164 Cb 0.57 -1.52 0.03 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.02 4.15 3.54 1.08 0.00 -1.26 -4.42 105.19 107.26 2kbo n GLY 165 Ca 0.00 -1.99 -0.45 0.00 0.00 0.00 0.00 46.02 43.58 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 0.75 0.75 -1.40 0.00 -0.04 -1.26 -4.86 135.00 128.95 2kbo n PRO 167 Ca 0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 2kbo n PRO 167 Cb 0.31 -1.11 0.09 0.00 -0.04 0.00 0.00 33.50 32.76 2kbo n PRO 167 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2kbo s PHE 168 N -1.72 2.20 -0.03 0.54 2.19 -1.26 -5.04 117.98 114.86 2kbo s PHE 168 Ca 0.00 1.61 0.03 0.00 0.33 0.00 0.00 56.93 58.90 2kbo s PHE 168 Cb 0.00 -3.32 0.00 0.00 -1.31 0.00 0.00 43.02 38.39 2kbo s PHE 168 CO 0.00 -2.30 -0.11 -1.14 1.83 0.00 0.00 175.22 173.50 2kbo s GLN 169 N -4.17 1.14 0.41 10.12 0.74 -1.26 -5.14 119.66 121.50 2kbo s GLN 169 Ca 0.70 -0.38 -0.24 0.00 0.05 0.00 0.00 55.36 55.49 2kbo s GLN 169 Cb -0.25 -1.04 -0.08 0.00 1.10 0.00 0.00 33.01 32.74 2kbo s GLN 169 CO 0.47 0.15 1.11 -1.25 -0.55 0.00 0.00 175.29 175.22 2kbo s PRO 170 N 0.14 4.04 0.16 1.67 0.04 -1.26 -5.05 135.00 134.74 2kbo s PRO 170 Ca -0.03 1.66 0.05 0.00 0.04 0.00 0.00 61.00 62.72 2kbo s PRO 170 Cb -0.09 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2kbo s PRO 170 CO 0.01 -0.28 0.12 1.67 0.04 0.00 0.00 177.00 178.56 2kbo s TRP 171 N -1.57 3.12 0.00 0.56 -2.14 -1.26 -4.97 118.94 112.68 2kbo s TRP 171 Ca 0.59 -0.03 0.00 0.00 2.66 0.00 0.00 56.10 59.32 2kbo s TRP 171 Cb -0.26 -1.50 0.00 0.00 -3.10 0.00 0.00 33.47 28.61 2kbo s TRP 171 CO 0.32 0.52 0.78 -0.25 -2.66 0.00 0.00 176.95 175.66 2kbo n ASP 172 N -0.29 2.09 0.00 -2.66 9.92 -1.26 -2.23 116.55 122.12 2kbo n ASP 172 Ca -0.08 -1.53 0.00 0.00 -0.53 0.00 0.00 54.79 52.64 2kbo n ASP 172 Cb 0.55 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 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 1.77 0.00 0.60 0.44 0.00 -1.26 -4.68 105.19 102.05 2kbo n GLY 173 Ca 0.00 0.00 0.42 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.85 0.00 0.04 0.99 4.77 -0.94 0.20 117.00 120.20 2kbo n LEU 174 Ca 0.00 0.83 -0.02 0.00 -0.03 0.00 0.00 56.01 56.80 2kbo n LEU 174 Cb 0.36 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2kbo n LEU 174 CO 0.00 -0.83 0.24 -2.24 -1.33 0.00 0.00 177.39 173.23 2kbo h ASP 175 N 0.00 -0.08 -0.21 -1.43 2.03 -1.83 -1.58 116.42 113.31 2kbo h ASP 175 Ca 0.74 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 57.09 2kbo h ASP 175 Cb 3.19 0.02 -0.05 0.00 -0.83 0.00 0.00 39.33 41.67 2kbo h ASP 175 CO -0.01 -0.02 -0.09 -0.08 -1.03 0.00 0.00 179.24 178.01 2kbo h GLU 176 N -0.18 -0.06 -0.02 4.15 4.57 -0.62 -1.20 114.58 121.22 2kbo h GLU 176 Ca -0.01 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2kbo h GLU 176 Cb 0.08 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 2kbo h GLU 176 CO 0.02 -0.04 -0.49 0.45 -1.18 0.00 0.00 179.01 177.76 2kbo h HIS 177 N -0.06 -1.45 -0.55 0.92 3.86 -0.39 -2.12 115.15 115.36 2kbo h HIS 177 Ca 0.11 0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.43 2kbo h HIS 177 Cb 0.23 0.64 -0.09 0.00 1.06 0.00 0.00 27.41 29.24 2kbo h HIS 177 CO -0.26 -0.52 -0.56 1.03 0.86 0.00 0.00 177.93 178.48 2kbo h SER 178 N -0.60 -1.93 -0.83 2.45 0.87 -0.93 0.17 113.55 112.75 2kbo h SER 178 Ca 0.01 0.27 0.19 0.00 -1.23 0.00 0.00 61.79 61.03 2kbo h SER 178 Cb 0.65 0.81 -0.16 0.00 -0.44 0.00 0.00 62.40 63.27 2kbo h SER 178 CO -0.34 -0.36 -0.12 1.67 -0.53 0.00 0.00 176.83 177.14 2kbo n GLN 179 N -5.35 -0.07 0.44 2.24 7.27 -0.48 0.73 117.38 122.16 2kbo n GLN 179 Ca -0.02 1.27 -0.17 0.00 0.07 0.00 0.00 57.00 58.15 2kbo n GLN 179 Cb 0.32 -1.94 -0.08 0.00 2.41 0.00 0.00 30.24 30.95 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 -0.95 0.43 1.69 1.82 -0.06 0.36 116.42 119.70 2kbo h ASP 180 Ca 0.44 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 57.09 2kbo h ASP 180 Cb 0.76 0.25 -0.00 0.00 0.68 0.00 0.00 39.33 41.02 2kbo h ASP 180 CO -0.82 -0.65 -0.26 0.25 -1.61 0.00 0.00 179.24 176.15 2kbo h LEU 181 N -1.19 -0.64 0.01 2.28 6.46 -0.35 -2.03 115.31 119.85 2kbo h LEU 181 Ca -0.12 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2kbo h LEU 181 Cb 0.86 0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2kbo h LEU 181 CO 0.19 -0.41 -0.01 -1.28 -0.62 0.00 0.00 178.44 176.31 2kbo h SER 182 N -0.65 -0.02 -1.62 1.25 0.87 0.25 0.57 113.55 114.20 2kbo h SER 182 Ca -0.05 0.00 0.49 0.00 -1.23 0.00 0.00 61.79 61.00 2kbo h SER 182 Cb 0.53 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 62.41 2kbo h SER 182 CO 0.05 -0.01 1.14 0.61 -0.53 0.00 0.00 176.83 178.09 2kbo n GLY 183 N -1.01 -0.85 0.03 5.77 0.00 0.13 -0.42 105.19 108.83 2kbo n GLY 183 Ca -0.00 0.64 -0.00 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 -0.03 -0.97 1.61 2.47 -0.63 -1.62 114.38 115.20 2kbo h ARG 184 Ca 0.83 0.00 0.37 0.00 -1.26 0.00 0.00 59.98 59.92 2kbo h ARG 184 Cb 3.15 0.01 -0.18 0.00 -1.65 0.00 0.00 29.97 31.30 2kbo h ARG 184 CO -0.13 -0.02 0.37 -0.11 0.56 0.00 0.00 179.97 180.64 2kbo n LEU 185 N -3.03 0.20 0.23 3.04 7.94 0.19 0.16 117.00 125.74 2kbo n LEU 185 Ca -0.00 1.63 -0.09 0.00 -1.11 0.00 0.00 56.01 56.43 2kbo n LEU 185 Cb 0.01 -0.73 -0.04 0.00 0.53 0.00 0.00 43.42 43.19 2kbo n LEU 185 CO 0.01 -1.77 0.52 0.03 -1.11 0.00 0.00 177.39 175.07 2kbo h ARG 186 N 0.00 -0.57 -0.55 1.96 -0.00 -0.89 -1.98 114.38 112.34 2kbo h ARG 186 Ca 0.75 0.04 0.06 0.00 -0.50 0.00 0.00 59.98 60.33 2kbo h ARG 186 Cb 1.89 0.13 -0.08 0.00 0.00 0.00 0.00 29.97 31.91 2kbo h ARG 186 CO -0.80 -0.38 -0.48 0.00 0.00 0.00 0.00 179.97 178.31 2kbo h ALA 187 N -1.69 -0.60 -0.75 0.04 0.00 0.25 1.33 119.26 117.84 2kbo h ALA 187 Ca -0.06 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2kbo h ALA 187 Cb 0.46 1.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 2kbo h ALA 187 CO 0.09 -0.88 0.32 -0.84 0.00 0.00 0.00 179.25 177.94 2kbo h ILE 188 N -0.19 0.69 0.39 0.00 -0.00 0.22 0.50 117.51 119.12 2kbo h ILE 188 Ca 0.09 -0.16 -0.02 0.00 -0.00 0.00 0.00 64.86 64.77 2kbo h ILE 188 Cb 0.43 0.17 0.00 0.00 -0.00 0.00 0.00 36.82 37.43 2kbo h ILE 188 CO -0.62 0.09 -0.19 0.25 -0.00 0.00 0.00 178.15 177.68 2kbo h LEU 189 N 0.48 -0.45 -0.60 0.16 5.85 -0.34 -2.92 115.31 117.49 2kbo h LEU 189 Ca 0.41 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2kbo h LEU 189 Cb 0.59 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2kbo h LEU 189 CO -0.38 -0.02 0.00 0.00 -0.34 0.00 0.00 178.44 177.70 2kbo n GLN 190 N -5.15 0.39 -2.11 1.25 1.13 0.44 -4.85 117.38 108.49 2kbo n GLN 190 Ca -0.09 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.80 2kbo n GLN 190 Cb 0.27 -1.12 0.02 0.00 0.11 0.00 0.00 30.24 29.52 2kbo n GLN 190 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2kbo n ASN 191 N -0.02 -2.43 -4.56 1.08 5.15 0.17 -4.67 115.26 109.98 2kbo n ASN 191 Ca 0.00 -0.07 -0.39 0.00 -0.60 0.00 0.00 54.58 53.52 2kbo n ASN 191 Cb 0.06 -0.71 -0.03 0.00 -0.53 0.00 0.00 39.78 38.57 2kbo n ASN 191 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2kbo s GLN 192 N -1.07 2.74 0.50 1.20 0.74 -0.68 -4.97 119.66 118.11 2kbo s GLN 192 Ca 0.17 0.64 -0.06 0.00 0.05 0.00 0.00 55.36 56.16 2kbo s GLN 192 Cb -0.02 -4.35 0.09 0.00 1.10 0.00 0.00 33.01 29.83 2kbo s GLN 192 CO 0.38 -2.60 0.20 0.39 -0.55 0.00 0.00 175.29 173.11 2kbo n GLU 193 N 9.11 -0.36 0.00 1.67 1.02 -1.26 -5.04 120.64 125.77 2kbo n GLU 193 Ca 0.20 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2kbo n GLU 193 Cb 0.51 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 2kbo n GLU 193 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60