#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 -0.10 -2.84 -0.41 2.81 -1.26 -4.02 117.12 111.29 2kbo n MET 2 Ca 0.00 0.07 -0.42 0.00 -1.81 0.00 0.00 57.70 55.53 2kbo n MET 2 Cb 0.00 -0.12 0.01 0.00 -0.71 0.00 0.00 33.22 32.40 2kbo n MET 2 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 2kbo n LEU 3 N 0.00 6.70 0.00 4.03 -0.00 -1.26 -4.68 117.00 121.79 2kbo n LEU 3 Ca 0.00 -5.20 0.00 0.00 -0.00 0.00 0.00 56.01 50.81 2kbo n LEU 3 Cb 0.02 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.17 2kbo n LEU 3 CO 0.00 1.75 0.00 -2.11 -0.00 0.00 0.00 177.39 177.03 2kbo n ARG 4 N 1.25 0.00 0.00 1.47 1.85 -1.26 -4.96 116.66 115.01 2kbo n ARG 4 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 2kbo n ARG 4 Cb 0.32 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.73 2kbo n ARG 4 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2kbo n HIS 5 N 0.00 0.00 0.00 2.89 -0.00 -1.26 -4.37 115.22 112.48 2kbo n HIS 5 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kbo n HIS 5 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kbo n HIS 5 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2kbo n SER 6 N 4.35 0.00 -3.72 0.26 3.41 -1.26 -5.03 113.62 111.63 2kbo n SER 6 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2kbo n SER 6 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 2kbo n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kbo s MET 7 N 1.71 1.35 0.23 4.33 0.23 -1.26 -4.91 119.30 120.98 2kbo s MET 7 Ca 0.00 -2.08 0.00 0.00 -1.03 0.00 0.00 55.69 52.58 2kbo s MET 7 Cb 0.00 -2.38 0.00 0.00 -1.53 0.00 0.00 34.83 30.92 2kbo s MET 7 CO 0.00 -1.17 0.00 -0.40 -2.03 0.00 0.00 175.02 171.42 2kbo n ASP 8 N 3.44 -1.22 -0.32 -1.18 5.75 -1.26 -4.70 116.55 117.06 2kbo n ASP 8 Ca 0.10 0.43 0.17 0.00 -0.01 0.00 0.00 54.79 55.47 2kbo n ASP 8 Cb 0.35 1.30 0.33 0.00 -1.03 0.00 0.00 41.12 42.07 2kbo n ASP 8 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 2kbo h PRO 9 N 0.00 0.07 0.00 0.11 0.10 -1.91 0.34 132.00 130.72 2kbo h PRO 9 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.10 2kbo h PRO 9 Cb 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 31.08 2kbo h PRO 9 CO 0.00 0.05 -1.25 -0.35 0.10 0.00 0.00 178.00 176.55 2kbo n PRO 10 N -5.37 0.29 0.21 1.05 -0.04 -1.26 -4.26 135.00 125.62 2kbo n PRO 10 Ca 0.25 -0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 2kbo n PRO 10 Cb 0.81 -1.55 0.40 0.00 -0.04 0.00 0.00 33.50 33.13 2kbo n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kbo h THR 11 N 0.00 0.57 0.06 0.52 1.03 -1.22 -3.27 112.91 110.62 2kbo h THR 11 Ca 0.00 -1.24 -0.12 0.00 -0.01 0.00 0.00 66.41 65.04 2kbo h THR 11 Cb 0.72 1.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.66 2kbo h THR 11 CO 0.00 0.25 -0.56 0.15 -0.01 0.00 0.00 175.52 175.35 2kbo h PHE 12 N 0.00 0.24 0.00 0.00 3.57 -1.65 -3.26 116.94 115.85 2kbo h PHE 12 Ca -0.00 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2kbo h PHE 12 Cb 0.83 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2kbo h PHE 12 CO 0.00 1.22 0.74 1.79 -2.23 0.00 0.00 178.31 179.82 2kbo h THR 13 N -0.70 0.00 0.00 4.41 1.35 -1.76 0.32 112.91 116.54 2kbo h THR 13 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2kbo h THR 13 Cb 1.34 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2kbo h THR 13 CO 0.04 0.00 0.17 0.33 -0.25 0.00 0.00 175.52 175.81 2kbo n PHE 14 N -2.11 0.17 0.00 4.73 7.35 -1.23 -4.30 117.46 122.07 2kbo n PHE 14 Ca -0.00 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 2kbo n PHE 14 Cb 0.74 -0.49 0.00 0.00 0.35 0.00 0.00 39.48 40.08 2kbo n PHE 14 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2kbo n ASN 15 N -1.59 0.00 0.00 -2.13 4.13 0.11 -0.20 115.26 115.58 2kbo n ASN 15 Ca -0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2kbo n ASN 15 Cb 0.18 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 2kbo n ASN 15 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2kbo n PHE 16 N 0.00 0.00 0.00 3.10 7.35 -1.26 -5.09 117.46 121.56 2kbo n PHE 16 Ca 0.00 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2kbo n PHE 16 Cb 0.00 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2kbo n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2kbo n ASN 17 N -0.00 0.00 -0.69 -2.13 5.15 0.72 -5.01 115.26 113.31 2kbo n ASN 17 Ca 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.95 2kbo n ASN 17 Cb 0.23 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.45 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 -0.47 -4.36 1.20 4.05 -1.26 -5.05 115.26 109.37 2kbo n ASN 18 Ca 0.00 -1.20 -0.53 0.00 0.45 0.00 0.00 54.58 53.30 2kbo n ASN 18 Cb 0.00 0.14 -0.10 0.00 1.23 0.00 0.00 39.78 41.05 2kbo n ASN 18 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 2kbo n GLU 19 N 0.00 0.43 -2.56 1.20 0.28 -1.26 -4.83 120.64 113.91 2kbo n GLU 19 Ca -0.13 0.11 -0.43 0.00 -0.16 0.00 0.00 57.16 56.55 2kbo n GLU 19 Cb 0.50 -1.93 -0.02 0.00 1.43 0.00 0.00 31.44 31.43 2kbo n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2kbo s PRO 20 N 6.53 3.62 0.02 3.44 0.04 -1.26 -4.88 135.00 142.51 2kbo s PRO 20 Ca 1.17 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.54 2kbo s PRO 20 Cb -1.19 -3.96 -0.26 0.00 0.04 0.00 0.00 34.50 29.14 2kbo s PRO 20 CO 0.56 -1.52 1.09 -1.49 0.04 0.00 0.00 177.00 175.67 2kbo h TRP 21 N 9.59 0.74 0.00 0.56 6.55 -1.95 -3.42 115.95 128.02 2kbo h TRP 21 Ca -0.24 -0.43 -0.16 0.00 0.95 0.00 0.00 58.89 59.01 2kbo h TRP 21 Cb 1.07 -0.07 -0.13 0.00 -0.86 0.00 0.00 29.16 29.17 2kbo h TRP 21 CO 1.00 1.27 -0.21 1.55 -1.05 0.00 0.00 178.44 181.00 2kbo n VAL 22 N -4.07 0.00 0.20 1.49 3.14 -1.26 -4.46 118.33 113.37 2kbo n VAL 22 Ca -0.12 -1.03 -0.14 0.00 -2.96 0.00 0.00 64.34 60.10 2kbo n VAL 22 Cb 0.78 0.89 -0.07 0.00 -1.06 0.00 0.00 33.84 34.37 2kbo n VAL 22 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2kbo h ARG 23 N 1.29 -0.71 0.00 1.45 3.08 -1.93 -3.44 114.38 114.13 2kbo h ARG 23 Ca -0.36 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2kbo h ARG 23 Cb 1.26 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.47 2kbo h ARG 23 CO -0.13 -0.47 0.00 0.41 -1.07 0.00 0.00 179.97 178.71 2kbo n GLY 24 N -1.42 -0.67 0.00 0.04 0.00 -1.26 -4.80 105.19 97.08 2kbo n GLY 24 Ca -0.09 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.77 2kbo n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kbo n ARG 25 N 0.00 0.00 0.01 1.61 0.63 -1.26 -4.92 116.66 112.73 2kbo n ARG 25 Ca 0.00 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.07 2kbo n ARG 25 Cb 0.00 0.00 0.58 0.00 0.45 0.00 0.00 32.46 33.49 2kbo n ARG 25 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2kbo n HIS 26 N 0.00 0.13 -1.34 -0.14 -0.00 -1.26 -5.00 115.22 107.61 2kbo n HIS 26 Ca 0.00 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2kbo n HIS 26 Cb 0.00 -0.56 0.00 0.00 -0.12 0.00 0.00 29.99 29.31 2kbo n HIS 26 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2kbo n GLU 27 N -1.60 0.00 0.00 1.57 1.02 -1.26 -4.81 120.64 115.56 2kbo n GLU 27 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2kbo n GLU 27 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 2kbo n GLU 27 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2kbo n THR 28 N -0.10 0.00 -0.53 2.62 5.66 -1.26 -4.62 114.28 116.05 2kbo n THR 28 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kbo n THR 28 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 0.00 -1.24 1.09 9.36 -1.21 -4.63 117.16 120.52 2kbo n TYR 29 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2kbo n TYR 29 Cb 0.00 -1.41 0.00 0.00 -0.63 0.00 0.00 39.34 37.30 2kbo n TYR 29 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 2kbo n LEU 30 N 0.00 0.00 -4.13 2.98 -0.00 -0.98 -4.74 117.00 110.13 2kbo n LEU 30 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.81 2kbo n LEU 30 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.29 2kbo n LEU 30 CO 0.00 -0.46 -0.46 0.00 -0.00 0.00 0.00 177.39 176.47 2kbo s TYR 32 N -0.70 -0.08 -0.10 0.00 6.14 -1.08 -0.77 117.35 120.75 2kbo s TYR 32 Ca 0.02 0.34 -0.00 0.00 0.64 0.00 0.00 57.07 58.08 2kbo s TYR 32 Cb -0.07 -0.16 0.02 0.00 0.42 0.00 0.00 41.96 42.17 2kbo s TYR 32 CO 0.01 -0.14 -0.08 -1.21 0.64 0.00 0.00 175.55 174.77 2kbo s GLU 33 N 1.21 1.51 0.08 4.97 2.02 0.11 -4.24 118.70 124.36 2kbo s GLU 33 Ca -0.08 -0.26 0.08 0.00 0.02 0.00 0.00 54.97 54.73 2kbo s GLU 33 Cb -0.12 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 2kbo s GLU 33 CO -0.05 -0.23 -0.21 0.54 0.02 0.00 0.00 175.26 175.33 2kbo s VAL 34 N 1.58 1.71 -0.00 2.63 0.11 -1.26 0.30 120.40 125.46 2kbo s VAL 34 Ca 0.02 -1.41 0.06 0.00 -2.93 0.00 0.00 61.98 57.72 2kbo s VAL 34 Cb -0.13 -1.52 -0.02 0.00 -1.53 0.00 0.00 36.38 33.18 2kbo s VAL 34 CO -0.07 0.05 -0.18 -1.61 -3.33 0.00 0.00 175.10 169.97 2kbo s GLU 35 N -1.61 1.39 0.08 1.54 2.02 -0.64 -4.81 118.70 116.67 2kbo s GLU 35 Ca 0.07 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.40 2kbo s GLU 35 Cb -0.09 -1.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 2kbo s GLU 35 CO 0.03 0.37 0.09 -0.98 0.02 0.00 0.00 175.26 174.79 2kbo s ARG 36 N -0.58 2.93 -0.11 1.61 1.70 -1.26 -0.70 118.95 122.54 2kbo s ARG 36 Ca 0.07 -0.67 -0.04 0.00 -0.47 0.00 0.00 55.73 54.62 2kbo s ARG 36 Cb -0.07 -2.75 -0.04 0.00 -0.57 0.00 0.00 34.95 31.52 2kbo s ARG 36 CO -0.00 0.57 0.04 -1.64 -1.08 0.00 0.00 175.30 173.19 2kbo s MET 37 N -2.40 3.21 -0.41 3.89 -1.94 0.22 -1.91 119.30 119.96 2kbo s MET 37 Ca 0.30 -0.34 -0.05 0.00 -1.71 0.00 0.00 55.69 53.88 2kbo s MET 37 Cb -0.12 -2.93 0.10 0.00 2.01 0.00 0.00 34.83 33.88 2kbo s MET 37 CO 0.22 0.66 0.21 -1.58 -0.01 0.00 0.00 175.02 174.53 2kbo s HIS 38 N -0.75 3.46 0.00 -0.03 2.46 -0.36 -2.82 115.29 117.25 2kbo s HIS 38 Ca 0.12 -2.03 0.00 0.00 0.47 0.00 0.00 55.06 53.62 2kbo s HIS 38 Cb -0.12 -3.05 0.00 0.00 -0.13 0.00 0.00 32.58 29.28 2kbo s HIS 38 CO 0.02 -0.92 0.00 -1.71 -2.47 0.00 0.00 174.74 169.66 2kbo n ASN 39 N 4.73 -2.10 -0.06 9.88 2.85 -1.25 -2.45 115.26 126.85 2kbo n ASN 39 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2kbo n ASN 39 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 2kbo n ASN 39 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kbo n ASP 40 N -2.21 0.00 -4.11 1.20 8.00 -1.25 -4.56 116.55 113.62 2kbo n ASP 40 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 2kbo n ASP 40 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2kbo n ASP 40 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kbo s THR 41 N -1.52 0.54 0.05 -3.53 -1.32 -1.02 -5.16 115.64 103.67 2kbo s THR 41 Ca 0.00 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.54 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 -0.11 -1.66 -2.21 0.00 0.00 174.62 170.64 2kbo s TRP 42 N -3.48 2.75 0.10 9.09 -2.14 -1.26 -1.22 118.94 122.78 2kbo s TRP 42 Ca 0.33 -0.14 0.08 0.00 2.66 0.00 0.00 56.10 59.04 2kbo s TRP 42 Cb 0.05 -1.51 -0.04 0.00 -3.10 0.00 0.00 33.47 28.87 2kbo s TRP 42 CO 0.16 0.36 -0.18 0.08 -2.66 0.00 0.00 176.95 174.71 2kbo s VAL 43 N -1.05 2.84 -0.34 -0.66 1.01 -0.80 -4.80 120.40 116.59 2kbo s VAL 43 Ca 0.18 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 60.78 2kbo s VAL 43 Cb -0.11 -2.27 0.10 0.00 0.00 0.00 0.00 36.38 34.10 2kbo s VAL 43 CO 0.09 0.16 0.06 -1.48 0.00 0.00 0.00 175.10 173.93 2kbo s LEU 44 N -1.96 4.57 0.79 3.92 2.34 -1.26 -4.20 118.68 122.88 2kbo s LEU 44 Ca 0.17 -2.15 -0.11 0.00 0.06 0.00 0.00 54.13 52.10 2kbo s LEU 44 Cb -0.11 -1.57 0.07 0.00 -0.56 0.00 0.00 46.19 44.02 2kbo s LEU 44 CO 0.09 -0.38 1.15 -0.76 -1.06 0.00 0.00 176.35 175.39 2kbo s LEU 45 N 0.91 2.57 -0.41 1.48 1.43 -1.26 -4.85 118.68 118.55 2kbo s LEU 45 Ca 0.11 0.77 -0.37 0.00 -1.03 0.00 0.00 54.13 53.62 2kbo s LEU 45 Cb -0.19 -3.30 -0.16 0.00 0.03 0.00 0.00 46.19 42.57 2kbo s LEU 45 CO -0.09 -1.83 1.62 0.59 0.23 0.00 0.00 176.35 176.88 2kbo n ASN 46 N -3.25 0.71 -3.63 2.29 5.03 -1.26 -4.76 115.26 110.40 2kbo n ASN 46 Ca 0.08 0.67 -0.41 0.00 0.87 0.00 0.00 54.58 55.79 2kbo n ASN 46 Cb 0.61 -0.73 -0.00 0.00 -1.02 0.00 0.00 39.78 38.63 2kbo n ASN 46 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kbo n GLN 47 N 5.33 3.87 -2.71 3.52 6.02 -1.26 -4.60 117.38 127.54 2kbo n GLN 47 Ca 0.39 -3.19 0.01 0.00 -0.01 0.00 0.00 57.00 54.20 2kbo n GLN 47 Cb -0.04 -2.85 0.01 0.00 1.02 0.00 0.00 30.24 28.38 2kbo n GLN 47 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2kbo s ARG 48 N 0.47 0.12 0.14 -1.09 1.70 -1.26 -4.78 118.95 114.25 2kbo s ARG 48 Ca 0.50 -0.06 0.03 0.00 -0.47 0.00 0.00 55.73 55.73 2kbo s ARG 48 Cb 0.14 0.01 -0.01 0.00 -0.57 0.00 0.00 34.95 34.52 2kbo s ARG 48 CO -0.05 -0.17 0.09 -2.13 -1.08 0.00 0.00 175.30 171.96 2kbo n ARG 49 N 3.42 0.39 0.00 3.89 3.00 -1.26 -5.03 116.66 121.07 2kbo n ARG 49 Ca 0.06 -1.33 0.00 0.00 -0.00 0.00 0.00 57.85 56.58 2kbo n ARG 49 Cb 0.64 0.95 0.00 0.00 0.00 0.00 0.00 32.46 34.06 2kbo n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kbo n GLY 50 N 0.23 4.75 3.64 5.14 0.00 -1.26 -4.62 105.19 113.07 2kbo n GLY 50 Ca 0.01 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 44.82 2kbo n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kbo s PHE 51 N -0.79 -0.54 -0.29 1.61 5.36 0.22 -2.65 117.98 120.90 2kbo s PHE 51 Ca 0.00 1.17 0.02 0.00 -0.96 0.00 0.00 56.93 57.16 2kbo s PHE 51 Cb 0.00 0.37 0.20 0.00 -0.34 0.00 0.00 43.02 43.24 2kbo s PHE 51 CO 0.00 -0.26 0.65 -0.48 -1.46 0.00 0.00 175.22 173.67 2kbo s LEU 52 N 0.82 -1.44 -0.27 6.12 0.05 -1.26 -2.32 118.68 120.39 2kbo s LEU 52 Ca -0.03 0.32 -0.07 0.00 0.05 0.00 0.00 54.13 54.39 2kbo s LEU 52 Cb -0.04 1.97 0.13 0.00 -2.05 0.00 0.00 46.19 46.20 2kbo s LEU 52 CO -0.11 -0.26 0.57 0.00 -0.55 0.00 0.00 176.35 175.99 2kbo s ASN 54 N 2.80 4.59 0.45 0.00 4.22 -1.26 -4.52 114.94 121.21 2kbo s ASN 54 Ca 0.01 -0.20 -0.20 0.00 -2.14 0.00 0.00 52.86 50.33 2kbo s ASN 54 Cb -0.13 -0.32 -0.10 0.00 1.28 0.00 0.00 41.25 41.98 2kbo s ASN 54 CO -0.18 -1.68 0.96 -1.10 -2.04 0.00 0.00 177.10 173.06 2kbo s GLN 55 N -5.07 4.16 0.14 3.55 -1.52 -1.26 -5.07 119.66 114.59 2kbo s GLN 55 Ca 0.64 1.09 -0.15 0.00 -1.95 0.00 0.00 55.36 54.99 2kbo s GLN 55 Cb -0.07 -2.17 0.03 0.00 -0.22 0.00 0.00 33.01 30.58 2kbo s GLN 55 CO 0.43 -0.09 0.40 0.00 -0.25 0.00 0.00 175.29 175.78 2kbo s ALA 56 N -2.26 -0.79 -1.13 6.09 0.00 -1.26 -5.07 121.76 117.33 2kbo s ALA 56 Ca 0.62 -0.21 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 2kbo s ALA 56 Cb -0.09 0.72 -0.14 0.00 0.00 0.00 0.00 23.12 23.61 2kbo s ALA 56 CO 0.17 -0.67 1.98 -0.35 0.00 0.00 0.00 175.76 176.90 2kbo n PRO 57 N -0.23 1.14 -0.01 0.00 -0.04 -1.26 -4.55 135.00 130.05 2kbo n PRO 57 Ca -0.14 -2.22 0.09 0.00 -0.04 0.00 0.00 63.50 61.20 2kbo n PRO 57 Cb 0.63 -3.76 -0.13 0.00 -0.04 0.00 0.00 33.50 30.20 2kbo n PRO 57 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2kbo n HIS 58 N 15.83 0.00 -2.58 0.54 -0.00 -1.26 -5.05 115.22 122.70 2kbo n HIS 58 Ca 0.44 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.62 2kbo n HIS 58 Cb 0.46 -0.28 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 2kbo n HIS 58 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kbo n LYS 59 N -1.90 -0.41 -1.39 1.57 4.01 -1.26 -4.91 118.16 113.86 2kbo n LYS 59 Ca -0.01 0.70 0.04 0.00 -0.51 0.00 0.00 58.31 58.53 2kbo n LYS 59 Cb 0.43 -0.74 0.06 0.00 -0.51 0.00 0.00 35.03 34.27 2kbo n LYS 59 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2kbo n HIS 60 N 1.41 0.11 -3.76 2.13 -0.00 -1.26 -4.99 115.22 108.86 2kbo n HIS 60 Ca 0.00 -0.82 -0.24 0.00 0.46 0.00 0.00 57.72 57.12 2kbo n HIS 60 Cb 0.29 -0.18 0.03 0.00 -0.12 0.00 0.00 29.99 30.02 2kbo n HIS 60 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kbo n GLY 61 N 0.08 -0.36 3.30 1.57 0.00 -1.26 -4.98 105.19 103.55 2kbo n GLY 61 Ca 0.09 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 2kbo n GLY 61 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kbo s PHE 62 N -3.55 0.44 -0.08 1.61 5.36 -1.26 -5.15 117.98 115.34 2kbo s PHE 62 Ca 0.21 -0.81 -0.18 0.00 -0.96 0.00 0.00 56.93 55.19 2kbo s PHE 62 Cb -0.11 -0.11 -0.05 0.00 -0.34 0.00 0.00 43.02 42.42 2kbo s PHE 62 CO 0.82 -0.68 0.50 -0.51 -1.46 0.00 0.00 175.22 173.88 2kbo s LEU 63 N -2.97 4.32 1.05 6.12 2.01 -1.26 -5.03 118.68 122.92 2kbo s LEU 63 Ca 0.17 0.90 -0.17 0.00 0.01 0.00 0.00 54.13 55.05 2kbo s LEU 63 Cb 0.04 -2.74 0.22 0.00 0.01 0.00 0.00 46.19 43.72 2kbo s LEU 63 CO -0.01 0.05 1.21 -1.83 1.01 0.00 0.00 176.35 176.78 2kbo s GLU 64 N 0.32 -0.01 0.00 1.70 -1.05 -1.26 -4.52 118.70 113.88 2kbo s GLU 64 Ca 0.27 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 2kbo s GLU 64 Cb -0.16 -1.75 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 2kbo s GLU 64 CO 0.12 -2.88 0.00 0.41 0.95 0.00 0.00 175.26 173.86 2kbo n GLY 65 N -2.44 1.01 3.66 -3.83 0.00 -1.26 -5.01 105.19 97.32 2kbo n GLY 65 Ca 0.13 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.20 4.11 0.22 1.61 0.52 -1.26 -4.98 118.95 116.96 2kbo s ARG 66 Ca 0.00 2.52 -0.01 0.00 -0.52 0.00 0.00 55.73 57.72 2kbo s ARG 66 Cb 0.00 -4.14 -0.04 0.00 0.52 0.00 0.00 34.95 31.28 2kbo s ARG 66 CO 0.00 -0.99 0.42 -1.01 0.02 0.00 0.00 175.30 173.74 2kbo s HIS 67 N 4.56 3.48 0.23 -0.53 3.76 -1.26 -4.78 115.29 120.74 2kbo s HIS 67 Ca 0.87 0.38 0.15 0.00 -0.15 0.00 0.00 55.06 56.31 2kbo s HIS 67 Cb -0.41 -1.89 0.82 0.00 1.11 0.00 0.00 32.58 32.21 2kbo s HIS 67 CO 0.39 0.34 0.92 0.00 -0.85 0.00 0.00 174.74 175.55 2kbo n ALA 68 N -0.73 0.67 0.20 -1.40 0.00 -1.26 0.85 120.51 118.84 2kbo n ALA 68 Ca -0.04 0.57 -0.11 0.00 0.00 0.00 0.00 53.44 53.86 2kbo n ALA 68 Cb 0.54 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.59 0.00 0.00 9.09 -1.94 -2.05 114.58 119.09 2kbo h GLU 69 Ca 0.50 0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.95 2kbo h GLU 69 Cb 1.43 0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 28.67 2kbo h GLU 69 CO -0.39 -0.39 -0.03 -0.07 0.05 0.00 0.00 179.01 178.18 2kbo h LEU 70 N -0.61 0.00 0.38 3.06 -0.00 0.17 -2.85 115.31 115.45 2kbo h LEU 70 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 2kbo h LEU 70 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2kbo h LEU 70 CO -0.00 0.03 -0.26 0.00 -0.00 0.00 0.00 178.44 178.21 2kbo h PHE 72 N -0.61 1.13 -1.80 0.00 -5.15 -1.50 0.53 116.94 109.53 2kbo h PHE 72 Ca -0.05 -0.11 0.52 0.00 -0.20 0.00 0.00 57.97 58.14 2kbo h PHE 72 Cb 0.50 -0.33 -0.07 0.00 0.22 0.00 0.00 35.95 36.26 2kbo h PHE 72 CO -0.04 0.89 1.36 -0.11 -2.00 0.00 0.00 178.31 178.41 2kbo n LEU 73 N -4.31 0.00 0.03 2.10 7.94 -1.08 0.36 117.00 122.04 2kbo n LEU 73 Ca 0.05 0.93 0.07 0.00 -1.11 0.00 0.00 56.01 55.96 2kbo n LEU 73 Cb 0.21 -0.45 -0.09 0.00 0.53 0.00 0.00 43.42 43.62 2kbo n LEU 73 CO 0.41 -0.93 -0.44 -0.67 -1.11 0.00 0.00 177.39 174.65 2kbo n ASP 74 N -3.76 0.45 -0.03 1.96 2.03 0.13 -4.43 116.55 112.90 2kbo n ASP 74 Ca 0.41 0.18 -0.13 0.00 0.52 0.00 0.00 54.79 55.76 2kbo n ASP 74 Cb 1.90 1.03 -0.11 0.00 -0.72 0.00 0.00 41.12 43.23 2kbo n ASP 74 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2kbo h VAL 75 N 0.00 1.51 -0.88 5.18 3.04 0.69 -3.30 116.25 122.50 2kbo h VAL 75 Ca -0.08 -1.55 0.15 0.00 -1.01 0.00 0.00 66.70 64.20 2kbo h VAL 75 Cb 1.22 2.53 -0.15 0.00 -2.01 0.00 0.00 31.29 32.88 2kbo h VAL 75 CO 0.01 0.41 -0.31 -0.38 -1.01 0.00 0.00 177.57 176.29 2kbo n ILE 76 N -4.74 -0.44 0.83 3.17 2.08 -0.83 0.35 119.36 119.79 2kbo n ILE 76 Ca -0.09 2.04 0.08 0.00 0.56 0.00 0.00 62.75 65.34 2kbo n ILE 76 Cb 0.34 -2.73 0.42 0.00 -0.75 0.00 0.00 39.64 36.93 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 -5.33 0.33 0.05 0.38 -0.04 -1.25 -2.66 135.00 126.48 2kbo n PRO 77 Ca 0.10 0.09 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 2kbo n PRO 77 Cb 0.37 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.97 0.00 0.54 3.57 0.61 -3.25 116.94 119.38 2kbo h PHE 78 Ca 0.00 -0.53 -0.10 0.00 3.53 0.00 0.00 57.97 60.87 2kbo h PHE 78 Cb 0.09 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2kbo h PHE 78 CO 0.00 1.36 -0.67 -1.49 -2.23 0.00 0.00 178.31 175.28 2kbo h TRP 79 N 0.37 0.00 -5.92 0.41 6.55 -1.44 -3.48 115.95 112.43 2kbo h TRP 79 Ca -0.12 0.00 -0.37 0.00 0.95 0.00 0.00 58.89 59.35 2kbo h TRP 79 Cb 1.68 0.00 0.12 0.00 -0.86 0.00 0.00 29.16 30.09 2kbo h TRP 79 CO 0.09 0.45 -0.88 1.63 -1.05 0.00 0.00 178.44 178.68 2kbo n LYS 80 N -3.12 -2.56 0.00 0.49 5.02 -1.22 -5.00 118.16 111.77 2kbo n LYS 80 Ca -0.00 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 2kbo n LYS 80 Cb 0.73 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.76 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 -3.89 0.00 0.00 -0.35 4.32 -1.26 -5.09 117.00 110.73 2kbo n LEU 81 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 2kbo n LEU 81 Cb 0.62 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 2kbo n LEU 81 CO 0.65 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.29 2kbo n ASP 82 N 0.00 1.70 -0.10 -1.43 8.00 -1.26 -5.09 116.55 118.37 2kbo n ASP 82 Ca 0.00 -0.36 -0.18 0.00 0.71 0.00 0.00 54.79 54.95 2kbo n ASP 82 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 0.07 0.64 -0.00 -1.26 -4.11 117.00 114.21 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 -0.90 0.16 0.00 -0.00 0.00 0.00 43.42 42.67 2kbo n LEU 83 CO 0.00 0.11 0.63 -0.67 -0.00 0.00 0.00 177.39 177.46 2kbo n ASP 84 N -4.45 0.15 -4.52 1.96 -0.08 -1.26 -4.53 116.55 103.82 2kbo n ASP 84 Ca -0.29 0.41 -0.25 0.00 -1.51 0.00 0.00 54.79 53.15 2kbo n ASP 84 Cb 0.61 -0.38 0.13 0.00 2.34 0.00 0.00 41.12 43.82 2kbo n ASP 84 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kbo s GLN 85 N -2.91 1.33 0.33 -0.67 -1.52 -1.26 -3.88 119.66 111.08 2kbo s GLN 85 Ca -0.01 -1.10 -0.08 0.00 -1.95 0.00 0.00 55.36 52.22 2kbo s GLN 85 Cb 0.02 -2.24 0.01 0.00 -0.22 0.00 0.00 33.01 30.58 2kbo s GLN 85 CO 0.05 -1.74 0.55 -0.51 -0.25 0.00 0.00 175.29 173.39 2kbo s ASP 86 N -4.82 0.43 -0.04 5.90 1.01 -1.13 -4.88 116.67 113.14 2kbo s ASP 86 Ca 0.69 -1.25 -0.00 0.00 0.71 0.00 0.00 52.55 52.70 2kbo s ASP 86 Cb -0.04 0.69 0.03 0.00 1.01 0.00 0.00 42.92 44.60 2kbo s ASP 86 CO 0.47 -1.34 -0.00 -0.31 0.21 0.00 0.00 175.17 174.19 2kbo s TYR 87 N -3.16 0.44 -0.59 4.23 2.02 -1.26 0.70 117.35 119.74 2kbo s TYR 87 Ca 0.25 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.89 2kbo s TYR 87 Cb -0.02 -0.54 0.15 0.00 -0.40 0.00 0.00 41.96 41.16 2kbo s TYR 87 CO 0.15 -0.18 0.39 1.03 -1.57 0.00 0.00 175.55 175.36 2kbo s ARG 88 N 1.27 2.40 0.35 -0.62 0.52 0.12 -3.17 118.95 119.82 2kbo s ARG 88 Ca -0.06 -2.53 -0.10 0.00 -0.52 0.00 0.00 55.73 52.52 2kbo s ARG 88 Cb -0.13 -3.62 -0.07 0.00 0.52 0.00 0.00 34.95 31.65 2kbo s ARG 88 CO -0.02 -1.15 0.70 0.08 0.02 0.00 0.00 175.30 174.92 2kbo s VAL 89 N -0.09 4.83 -0.05 3.52 1.01 -0.31 -1.63 120.40 127.68 2kbo s VAL 89 Ca 0.17 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 2kbo s VAL 89 Cb -0.22 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.50 2kbo s VAL 89 CO -0.03 -0.37 0.11 -0.89 0.00 0.00 0.00 175.10 173.92 2kbo s THR 90 N -2.18 -0.05 0.05 3.92 2.01 0.15 -1.53 115.64 118.00 2kbo s THR 90 Ca 0.50 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.75 2kbo s THR 90 Cb -0.10 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2kbo s THR 90 CO 0.27 0.08 -0.14 0.00 -0.69 0.00 0.00 174.62 174.14 2kbo s PHE 92 N -1.00 1.52 0.24 0.00 0.08 0.05 -0.60 117.98 118.27 2kbo s PHE 92 Ca 0.17 -1.45 -0.06 0.00 0.12 0.00 0.00 56.93 55.71 2kbo s PHE 92 Cb -0.11 -1.47 -0.02 0.00 -0.57 0.00 0.00 43.02 40.85 2kbo s PHE 92 CO 0.07 -0.79 0.33 0.99 -0.10 0.00 0.00 175.22 175.73 2kbo s THR 93 N 1.68 0.00 -0.64 0.64 2.01 -0.52 -1.00 115.64 117.81 2kbo s THR 93 Ca 0.05 -1.69 0.24 0.00 0.31 0.00 0.00 61.69 60.60 2kbo s THR 93 Cb -0.17 -2.39 0.09 0.00 0.01 0.00 0.00 72.50 70.03 2kbo s THR 93 CO -0.19 0.00 1.39 0.77 -0.69 0.00 0.00 174.62 175.90 2kbo h SER 94 N 2.38 0.00 -3.86 3.53 4.64 -1.86 -3.28 113.55 115.10 2kbo h SER 94 Ca -0.30 -0.18 -0.60 0.00 -0.47 0.00 0.00 61.79 60.24 2kbo h SER 94 Cb 1.25 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.13 2kbo h SER 94 CO 0.43 0.09 -0.83 -1.66 -0.87 0.00 0.00 176.83 173.99 2kbo s TRP 95 N -3.16 2.02 0.00 4.77 1.48 -1.26 -0.54 118.94 122.25 2kbo s TRP 95 Ca 0.07 -0.41 0.00 0.00 -1.06 0.00 0.00 56.10 54.70 2kbo s TRP 95 Cb 0.13 -1.07 0.00 0.00 -1.16 0.00 0.00 33.47 31.37 2kbo s TRP 95 CO 0.70 0.31 0.00 -1.13 -4.06 0.00 0.00 176.95 172.77 2kbo n SER 96 N 0.79 -0.42 -0.90 -2.66 3.41 -1.26 -4.80 113.62 107.79 2kbo n SER 96 Ca -0.17 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2kbo n SER 96 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.17 3.64 -3.99 4.33 -0.04 -1.26 -5.09 135.00 131.42 2kbo n PRO 97 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2kbo n PRO 97 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 2kbo n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kbo h PHE 99 N 2.21 -1.70 0.00 0.00 -0.00 -1.96 -1.64 116.94 113.86 2kbo h PHE 99 Ca -0.26 0.11 -0.02 0.00 -0.00 0.00 0.00 57.97 57.81 2kbo h PHE 99 Cb 1.25 0.85 -0.00 0.00 -0.00 0.00 0.00 35.95 38.05 2kbo h PHE 99 CO 0.55 -0.35 -0.80 0.43 -0.00 0.00 0.00 178.31 178.14 2kbo n SER 100 N -5.04 1.87 -0.43 -0.68 7.64 -1.26 -2.40 113.62 113.31 2kbo n SER 100 Ca 0.01 0.49 0.36 0.00 1.01 0.00 0.00 58.87 60.74 2kbo n SER 100 Cb 0.24 -0.81 0.56 0.00 -1.01 0.00 0.00 64.21 63.19 2kbo n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kbo h ALA 102 N 0.67 0.04 -0.03 0.00 0.00 -1.47 -2.99 119.26 115.48 2kbo h ALA 102 Ca 0.64 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2kbo h ALA 102 Cb 2.88 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 20.61 2kbo h ALA 102 CO -0.01 -0.13 -0.52 1.96 0.00 0.00 0.00 179.25 180.56 2kbo h GLN 103 N -0.48 -0.61 -0.56 0.00 4.20 0.59 0.57 115.11 118.81 2kbo h GLN 103 Ca 0.00 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2kbo h GLN 103 Cb 0.64 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.49 2kbo h GLN 103 CO 0.01 -0.41 -0.33 0.39 -0.67 0.00 0.00 178.83 177.82 2kbo n GLU 104 N -5.46 -0.25 0.02 1.46 -0.58 -0.82 -0.05 120.64 114.96 2kbo n GLU 104 Ca -0.07 1.05 -0.01 0.00 -0.42 0.00 0.00 57.16 57.71 2kbo n GLU 104 Cb 0.39 -1.54 -0.01 0.00 -0.57 0.00 0.00 31.44 29.71 2kbo n GLU 104 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2kbo h MET 105 N 0.00 -0.06 -0.53 3.49 4.05 -1.16 -2.71 114.93 118.01 2kbo h MET 105 Ca 0.09 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.62 2kbo h MET 105 Cb 0.23 0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 30.95 2kbo h MET 105 CO -0.53 -0.04 -0.15 0.00 0.23 0.00 0.00 176.91 176.42 2kbo n ALA 106 N -2.28 0.09 -0.07 0.39 0.00 0.19 0.22 120.51 119.05 2kbo n ALA 106 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2kbo n ALA 106 Cb 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -4.85 0.00 -0.54 0.00 5.02 0.93 0.30 118.16 119.02 2kbo n LYS 107 Ca 0.08 0.74 0.41 0.00 -2.02 0.00 0.00 58.31 57.52 2kbo n LYS 107 Cb 0.26 -1.46 0.64 0.00 -0.02 0.00 0.00 35.03 34.44 2kbo n LYS 107 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2kbo n PHE 108 N -2.42 0.12 0.00 2.13 3.01 0.13 0.16 117.46 120.59 2kbo n PHE 108 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.58 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 -3.72 0.00 -0.35 4.37 -0.00 0.15 -2.76 119.36 117.05 2kbo n ILE 109 Ca 0.35 0.44 0.23 0.00 -0.00 0.00 0.00 62.75 63.77 2kbo n ILE 109 Cb 1.56 -1.37 0.47 0.00 -0.00 0.00 0.00 39.64 40.31 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 0.52 -0.01 4.38 4.64 0.59 0.91 113.55 124.59 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 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2kbo h SER 110 CO 0.00 -0.01 -0.50 0.11 -0.87 0.00 0.00 176.83 175.56 2kbo h LYS 111 N 0.40 0.57 -2.41 4.77 1.79 0.14 -3.39 116.57 118.44 2kbo h LYS 111 Ca 0.68 -0.34 -0.54 0.00 -2.18 0.00 0.00 60.65 58.27 2kbo h LYS 111 Cb 1.58 0.03 -0.37 0.00 -1.58 0.00 0.00 32.23 31.89 2kbo h LYS 111 CO -0.46 0.94 -0.84 1.21 -1.08 0.00 0.00 179.45 179.21 2kbo s ASN 112 N -6.90 2.30 0.30 0.86 3.04 0.30 -4.96 114.94 109.88 2kbo s ASN 112 Ca -0.07 -2.25 0.14 0.00 0.04 0.00 0.00 52.86 50.71 2kbo s ASN 112 Cb 0.12 -0.21 0.75 0.00 -1.54 0.00 0.00 41.25 40.36 2kbo s ASN 112 CO 0.84 -0.27 1.33 0.29 -3.04 0.00 0.00 177.10 176.25 2kbo n LYS 113 N 3.82 0.09 0.00 0.43 4.76 -0.11 -2.43 118.16 124.72 2kbo n LYS 113 Ca 0.15 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 2kbo n LYS 113 Cb 0.41 -2.05 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 2kbo n LYS 113 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2kbo n HIS 114 N -2.04 0.00 -4.30 2.13 -0.00 -1.26 -4.34 115.22 105.40 2kbo n HIS 114 Ca -0.01 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.86 2kbo n HIS 114 Cb 0.26 -0.12 -0.10 0.00 -0.12 0.00 0.00 29.99 29.92 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 -2.03 3.62 -0.25 3.57 1.01 -1.02 -4.17 120.40 121.13 2kbo s VAL 115 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 2kbo s VAL 115 Cb 0.00 -2.65 0.08 0.00 0.00 0.00 0.00 36.38 33.81 2kbo s VAL 115 CO 0.00 0.23 0.08 -0.44 0.00 0.00 0.00 175.10 174.97 2kbo s SER 116 N -1.91 3.38 -0.10 3.32 0.01 -1.19 -4.98 113.70 112.24 2kbo s SER 116 Ca 0.21 -1.18 -0.12 0.00 1.31 0.00 0.00 55.95 56.16 2kbo s SER 116 Cb -0.11 -0.59 -0.05 0.00 0.21 0.00 0.00 66.02 65.48 2kbo s SER 116 CO 0.12 -0.38 0.28 -0.76 0.41 0.00 0.00 173.24 172.91 2kbo s LEU 117 N 1.87 4.37 -0.45 2.44 2.01 -1.26 -1.16 118.68 126.49 2kbo s LEU 117 Ca 0.05 0.64 0.03 0.00 0.01 0.00 0.00 54.13 54.86 2kbo s LEU 117 Cb -0.17 -2.34 0.13 0.00 0.01 0.00 0.00 46.19 43.82 2kbo s LEU 117 CO -0.21 0.28 0.22 0.00 1.01 0.00 0.00 176.35 177.65 2kbo s ILE 119 N 0.23 5.01 -0.43 0.00 1.01 0.58 -1.65 121.20 125.95 2kbo s ILE 119 Ca 0.16 1.42 -0.08 0.00 0.00 0.00 0.00 60.65 62.16 2kbo s ILE 119 Cb -0.24 -4.03 0.10 0.00 0.01 0.00 0.00 42.46 38.30 2kbo s ILE 119 CO -0.02 0.28 0.27 -0.36 0.00 0.00 0.00 174.94 175.11 2kbo s PHE 120 N 0.61 3.41 0.16 3.97 0.40 0.23 -0.69 117.98 126.06 2kbo s PHE 120 Ca 0.36 -1.83 0.11 0.00 -0.60 0.00 0.00 56.93 54.98 2kbo s PHE 120 Cb -0.18 -3.18 -0.04 0.00 0.51 0.00 0.00 43.02 40.13 2kbo s PHE 120 CO 0.18 -0.92 -0.25 -0.08 0.70 0.00 0.00 175.22 174.85 2kbo s THR 121 N 1.34 2.34 -0.13 0.64 -1.32 -0.61 -1.44 115.64 116.47 2kbo s THR 121 Ca 0.05 -1.86 -0.07 0.00 -1.21 0.00 0.00 61.69 58.60 2kbo s THR 121 Cb -0.24 -2.08 -0.06 0.00 -1.51 0.00 0.00 72.50 68.62 2kbo s THR 121 CO -0.00 0.00 -0.18 0.00 -2.21 0.00 0.00 174.62 172.23 2kbo n ALA 122 N 0.63 2.07 -3.38 11.08 0.00 -1.10 0.10 120.51 129.91 2kbo n ALA 122 Ca -0.16 -0.54 -0.14 0.00 0.00 0.00 0.00 53.44 52.60 2kbo n ALA 122 Cb 0.54 0.29 -0.08 0.00 0.00 0.00 0.00 19.45 20.20 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 -2.29 0.71 -0.12 0.00 1.70 0.30 -4.55 118.95 114.70 2kbo s ARG 123 Ca -0.19 0.35 -0.02 0.00 -0.47 0.00 0.00 55.73 55.40 2kbo s ARG 123 Cb 0.07 0.33 0.04 0.00 -0.57 0.00 0.00 34.95 34.82 2kbo s ARG 123 CO 0.24 -0.16 0.01 0.96 -1.08 0.00 0.00 175.30 175.27 2kbo s ILE 124 N -0.51 0.48 -0.21 4.99 -4.36 -1.26 -4.09 121.20 116.24 2kbo s ILE 124 Ca -0.06 -0.17 -0.00 0.00 -0.26 0.00 0.00 60.65 60.15 2kbo s ILE 124 Cb -0.03 -0.76 0.06 0.00 1.25 0.00 0.00 42.46 42.97 2kbo s ILE 124 CO 0.04 0.09 -0.03 -0.31 0.24 0.00 0.00 174.94 174.96 2kbo s TYR 125 N 1.91 1.92 0.00 1.37 1.51 -1.26 -4.78 117.35 118.02 2kbo s TYR 125 Ca 0.03 -1.39 0.00 0.00 -1.01 0.00 0.00 57.07 54.69 2kbo s TYR 125 Cb -0.14 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 2kbo s TYR 125 CO -0.07 -0.70 0.00 -3.47 -1.11 0.00 0.00 175.55 170.20 2kbo n ASP 126 N 4.80 0.00 -1.79 2.29 2.03 -1.26 -5.02 116.55 117.60 2kbo n ASP 126 Ca -0.11 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.27 2kbo n ASP 126 Cb 0.46 0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.25 2kbo n ASP 126 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kbo n ASP 127 N 0.00 5.53 -3.76 1.67 5.68 -1.26 -4.92 116.55 119.49 2kbo n ASP 127 Ca 0.00 -2.91 -0.27 0.00 -0.50 0.00 0.00 54.79 51.11 2kbo n ASP 127 Cb 0.00 -0.67 0.05 0.00 -1.14 0.00 0.00 41.12 39.36 2kbo n ASP 127 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kbo n GLN 128 N 0.56 -6.60 -0.92 0.11 1.13 -1.26 -4.95 117.38 105.46 2kbo n GLN 128 Ca 0.27 0.71 -0.29 0.00 -1.94 0.00 0.00 57.00 55.74 2kbo n GLN 128 Cb 1.15 -5.66 0.18 0.00 0.11 0.00 0.00 30.24 26.02 2kbo n GLN 128 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2kbo s GLY 129 N -3.39 1.61 0.00 1.08 0.00 -1.26 -4.85 107.32 100.51 2kbo s GLY 129 Ca 0.58 0.03 0.04 0.00 0.00 0.00 0.00 44.72 45.37 2kbo s GLY 129 CO 0.78 0.57 0.69 0.54 0.00 0.00 0.00 173.10 175.69 2kbo n ARG 130 N -4.26 0.50 -0.27 2.90 5.12 -1.26 -4.03 116.66 115.36 2kbo n ARG 130 Ca 0.07 0.00 0.27 0.00 -1.93 0.00 0.00 57.85 56.25 2kbo n ARG 130 Cb 0.54 -1.11 0.41 0.00 -1.16 0.00 0.00 32.46 31.14 2kbo n ARG 130 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kbo n GLN 132 N -2.96 0.03 0.00 0.00 0.00 -1.26 -1.56 117.38 111.64 2kbo n GLN 132 Ca 0.22 0.89 -0.00 0.00 -0.00 0.00 0.00 57.00 58.11 2kbo n GLN 132 Cb 1.27 -2.39 -0.00 0.00 0.00 0.00 0.00 30.24 29.12 2kbo n GLN 132 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 2kbo h GLU 133 N 0.00 -0.01 -0.09 3.69 4.11 -1.32 -1.34 114.58 119.63 2kbo h GLU 133 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 2kbo h GLU 133 Cb 1.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 2kbo h GLU 133 CO -0.00 -0.00 -0.01 0.78 0.07 0.00 0.00 179.01 179.84 2kbo h GLY 134 N -0.01 0.18 -0.52 1.06 0.00 -0.92 -2.52 103.07 100.34 2kbo h GLY 134 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.23 2kbo h GLY 134 CO -0.00 0.13 -0.31 -0.10 0.00 0.00 0.00 176.54 176.26 2kbo n LEU 135 N -4.80 -0.56 0.23 3.11 0.00 -1.07 0.97 117.00 114.89 2kbo n LEU 135 Ca -0.06 1.27 0.07 0.00 0.00 0.00 0.00 56.01 57.28 2kbo n LEU 135 Cb 0.22 -0.29 0.54 0.00 0.00 0.00 0.00 43.42 43.89 2kbo n LEU 135 CO 0.35 -0.93 0.89 -0.09 0.00 0.00 0.00 177.39 177.62 2kbo h ARG 136 N 0.00 0.00 0.16 1.96 1.12 -1.29 -1.50 114.38 114.84 2kbo h ARG 136 Ca 0.08 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.95 2kbo h ARG 136 Cb 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 2kbo h ARG 136 CO -0.49 0.20 -0.08 1.15 -3.11 0.00 0.00 179.97 177.63 2kbo h THR 137 N 0.00 0.82 0.00 0.20 2.02 0.11 -1.33 112.91 114.73 2kbo h THR 137 Ca -0.00 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 65.98 2kbo h THR 137 Cb 0.37 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2kbo h THR 137 CO 0.03 0.21 -0.31 0.17 0.37 0.00 0.00 175.52 175.99 2kbo h LEU 138 N -0.87 0.00 -0.21 2.58 -0.00 -0.19 1.49 115.31 118.10 2kbo h LEU 138 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.64 2kbo h LEU 138 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 2kbo h LEU 138 CO 0.04 0.31 -0.88 0.00 -0.00 0.00 0.00 178.44 177.91 2kbo h ALA 139 N 1.69 0.40 0.09 0.17 0.00 -1.33 0.88 119.26 121.16 2kbo h ALA 139 Ca -0.00 -0.67 -0.37 0.00 0.00 0.00 0.00 54.91 53.87 2kbo h ALA 139 Cb 0.74 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2kbo h ALA 139 CO 0.04 0.77 -2.07 0.39 0.00 0.00 0.00 179.25 178.38 2kbo n GLU 140 N -3.80 0.73 0.17 0.00 -0.58 -0.50 -3.65 120.64 113.01 2kbo n GLU 140 Ca -0.07 0.24 0.19 0.00 -0.42 0.00 0.00 57.16 57.10 2kbo n GLU 140 Cb 0.80 -1.68 0.80 0.00 -0.57 0.00 0.00 31.44 30.79 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 0.13 1.87 0.00 0.62 0.00 0.20 -3.42 119.26 118.66 2kbo h ALA 141 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kbo h ALA 141 Cb 2.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2kbo h ALA 141 CO 0.06 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2kbo n GLY 142 N -1.41 0.02 3.64 0.00 0.00 -1.19 -4.08 105.19 102.16 2kbo n GLY 142 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 3.62 -0.57 4.61 0.00 0.31 -4.29 121.76 125.43 2kbo s ALA 143 Ca 0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 2kbo s ALA 143 Cb 0.00 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.83 2kbo s ALA 143 CO 0.00 -1.01 1.08 0.15 0.00 0.00 0.00 175.76 175.98 2kbo s LYS 144 N 2.92 3.42 0.06 0.00 1.02 0.62 -4.21 119.74 123.57 2kbo s LYS 144 Ca 0.35 0.00 -0.10 0.00 0.02 0.00 0.00 55.97 56.24 2kbo s LYS 144 Cb -0.15 -4.04 -0.06 0.00 -0.52 0.00 0.00 37.83 33.07 2kbo s LYS 144 CO 0.09 -1.61 0.38 0.42 -0.92 0.00 0.00 175.35 173.71 2kbo s ILE 145 N 4.53 5.11 -0.02 2.17 -1.09 -1.26 -0.31 121.20 130.33 2kbo s ILE 145 Ca 0.37 0.46 0.02 0.00 -2.23 0.00 0.00 60.65 59.27 2kbo s ILE 145 Cb -0.10 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.15 2kbo s ILE 145 CO 0.22 0.33 -0.05 -0.94 -1.23 0.00 0.00 174.94 173.27 2kbo s SER 146 N -1.67 0.81 -0.33 3.58 1.04 0.13 -4.92 113.70 112.34 2kbo s SER 146 Ca 0.31 -0.12 -0.21 0.00 0.48 0.00 0.00 55.95 56.41 2kbo s SER 146 Cb -0.14 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.73 2kbo s SER 146 CO 0.17 0.02 0.67 -0.63 0.98 0.00 0.00 173.24 174.45 2kbo s ILE 147 N 0.35 4.88 -0.64 -1.02 1.09 -1.26 -1.57 121.20 123.02 2kbo s ILE 147 Ca -0.04 0.82 -0.28 0.00 -1.10 0.00 0.00 60.65 60.06 2kbo s ILE 147 Cb -0.08 -4.07 0.03 0.00 -1.06 0.00 0.00 42.46 37.28 2kbo s ILE 147 CO -0.00 -0.24 1.26 -0.04 -0.10 0.00 0.00 174.94 175.81 2kbo s MET 148 N 2.75 3.36 0.59 2.79 -1.94 0.28 -4.91 119.30 122.22 2kbo s MET 148 Ca 0.27 0.08 0.09 0.00 -1.71 0.00 0.00 55.69 54.42 2kbo s MET 148 Cb -0.14 -4.09 0.09 0.00 2.01 0.00 0.00 34.83 32.69 2kbo s MET 148 CO 0.13 -1.90 0.75 0.95 -0.01 0.00 0.00 175.02 174.94 2kbo s THR 149 N 5.42 1.95 0.06 2.05 -4.23 -1.26 -4.72 115.64 114.90 2kbo s THR 149 Ca 0.41 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 2kbo s THR 149 Cb -0.08 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 2kbo s THR 149 CO 0.21 0.00 0.92 0.00 -0.54 0.00 0.00 174.62 175.21 2kbo n TYR 150 N -2.21 -0.16 -0.08 3.99 4.11 -1.26 0.25 117.16 121.80 2kbo n TYR 150 Ca 0.13 0.46 -0.07 0.00 -0.00 0.00 0.00 57.90 58.42 2kbo n TYR 150 Cb 0.62 -0.46 -0.05 0.00 -0.00 0.00 0.00 39.34 39.45 2kbo n TYR 150 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2kbo h SER 151 N 0.00 -0.92 0.00 9.48 0.87 -1.99 1.22 113.55 122.21 2kbo h SER 151 Ca 0.06 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2kbo h SER 151 Cb 0.15 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2kbo h SER 151 CO -0.34 -0.19 0.17 -0.33 -0.53 0.00 0.00 176.83 175.61 2kbo h GLU 152 N -0.18 0.00 0.02 2.24 3.07 -1.14 -1.38 114.58 117.21 2kbo h GLU 152 Ca 0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2kbo h GLU 152 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2kbo h GLU 152 CO -0.30 0.00 -0.01 0.35 -1.40 0.00 0.00 179.01 177.65 2kbo h PHE 153 N 0.00 -0.03 -0.40 4.33 3.04 1.24 0.53 116.94 125.66 2kbo h PHE 153 Ca 0.00 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.07 2kbo h PHE 153 Cb 0.35 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 2kbo h PHE 153 CO 0.00 -0.02 0.86 0.87 -2.02 0.00 0.00 178.31 178.01 2kbo h LYS 154 N -0.18 0.00 0.17 1.11 1.57 -0.06 3.16 116.57 122.34 2kbo h LYS 154 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 2kbo h LYS 154 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.34 2kbo h LYS 154 CO 0.00 0.00 -1.43 1.25 -0.57 0.00 0.00 179.45 178.71 2kbo h HIS 155 N 0.00 0.64 -0.68 -1.35 2.76 -1.24 -2.81 115.15 112.46 2kbo h HIS 155 Ca 0.19 -0.47 0.20 0.00 -2.20 0.00 0.00 60.37 58.09 2kbo h HIS 155 Cb 1.91 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 30.82 2kbo h HIS 155 CO 0.00 1.55 0.78 0.00 -1.30 0.00 0.00 177.93 178.97 2kbo h TRP 157 N 0.00 0.00 0.00 0.00 6.55 -1.47 -3.32 115.95 117.71 2kbo h TRP 157 Ca 0.32 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.16 2kbo h TRP 157 Cb 1.88 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.18 2kbo h TRP 157 CO 0.00 0.46 0.11 -3.47 -1.05 0.00 0.00 178.44 174.49 2kbo n ASP 158 N -4.60 0.00 -0.11 -3.49 -0.08 0.66 -0.38 116.55 108.54 2kbo n ASP 158 Ca -0.12 0.14 -0.23 0.00 -1.51 0.00 0.00 54.79 53.07 2kbo n ASP 158 Cb 0.34 -0.14 -0.10 0.00 2.34 0.00 0.00 41.12 43.57 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 -1.02 1.52 0.00 5.18 -1.04 0.11 -4.83 114.28 114.20 2kbo n THR 159 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2kbo n THR 159 Cb 0.11 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 66.59 2kbo n THR 159 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2kbo n PHE 160 N -4.39 0.00 -1.91 -1.42 -1.74 -0.66 -4.44 117.46 102.91 2kbo n PHE 160 Ca -0.37 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.10 2kbo n PHE 160 Cb 0.71 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.68 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 -1.59 2.63 -0.08 1.97 1.01 0.49 -4.82 120.40 120.01 2kbo s VAL 161 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2kbo s VAL 161 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2kbo s VAL 161 CO 0.00 0.03 0.60 -0.67 0.00 0.00 0.00 175.10 175.05 2kbo n ASP 162 N 4.26 1.77 -2.75 3.32 2.03 -1.26 -3.44 116.55 120.48 2kbo n ASP 162 Ca 0.14 -1.24 -0.07 0.00 0.52 0.00 0.00 54.79 54.15 2kbo n ASP 162 Cb 0.38 -0.31 0.04 0.00 -0.72 0.00 0.00 41.12 40.52 2kbo n ASP 162 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kbo n HIS 163 N 0.65 -3.26 0.00 -0.67 -0.00 -1.26 -4.98 115.22 105.71 2kbo n HIS 163 Ca 0.00 -1.57 0.00 0.00 -0.00 0.00 0.00 57.72 56.15 2kbo n HIS 163 Cb 0.30 1.51 0.00 0.00 -0.00 0.00 0.00 29.99 31.80 2kbo n HIS 163 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2kbo n GLN 164 N 1.98 0.00 -1.58 -0.41 6.02 -1.22 0.18 117.38 122.35 2kbo n GLN 164 Ca 0.11 0.14 -0.21 0.00 -0.01 0.00 0.00 57.00 57.02 2kbo n GLN 164 Cb 0.62 -1.83 0.08 0.00 1.02 0.00 0.00 30.24 30.13 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 -1.11 5.96 3.31 1.08 0.00 -1.26 -4.43 105.19 108.74 2kbo n GLY 165 Ca 0.00 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 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 1.05 0.13 -1.46 0.00 -0.04 -1.26 -4.80 135.00 128.62 2kbo n PRO 167 Ca 0.09 0.19 -0.33 0.00 -0.04 0.00 0.00 63.50 63.41 2kbo n PRO 167 Cb 0.47 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.51 2kbo n PRO 167 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2kbo s PHE 168 N -2.72 2.24 0.05 0.54 2.19 -1.26 -5.05 117.98 113.97 2kbo s PHE 168 Ca 0.11 1.60 -0.01 0.00 0.33 0.00 0.00 56.93 58.96 2kbo s PHE 168 Cb 0.09 -3.32 -0.04 0.00 -1.31 0.00 0.00 43.02 38.44 2kbo s PHE 168 CO 0.23 -2.25 -0.03 -0.65 1.83 0.00 0.00 175.22 174.34 2kbo s GLN 169 N -4.12 0.60 -0.14 10.12 -0.21 -1.26 -5.10 119.66 119.55 2kbo s GLN 169 Ca 0.70 -1.19 -0.28 0.00 0.02 0.00 0.00 55.36 54.61 2kbo s GLN 169 Cb -0.25 0.20 -0.01 0.00 1.00 0.00 0.00 33.01 33.95 2kbo s GLN 169 CO 0.46 -0.11 0.93 -1.25 -2.12 0.00 0.00 175.29 173.21 2kbo s PRO 170 N -3.81 4.36 0.15 2.91 0.04 -1.26 -5.06 135.00 132.33 2kbo s PRO 170 Ca 0.06 1.23 0.05 0.00 0.04 0.00 0.00 61.00 62.38 2kbo s PRO 170 Cb 0.07 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 2kbo s PRO 170 CO -0.10 -0.33 0.11 1.67 0.04 0.00 0.00 177.00 178.39 2kbo s TRP 171 N 2.12 3.12 0.00 0.56 -2.14 -1.26 -4.97 118.94 116.37 2kbo s TRP 171 Ca 0.44 -0.01 0.00 0.00 2.66 0.00 0.00 56.10 59.18 2kbo s TRP 171 Cb -0.17 -1.52 0.00 0.00 -3.10 0.00 0.00 33.47 28.68 2kbo s TRP 171 CO 0.15 0.52 0.70 -0.25 -2.66 0.00 0.00 176.95 175.40 2kbo n ASP 172 N -0.14 1.90 0.00 -2.66 8.00 -1.26 -2.10 116.55 120.29 2kbo n ASP 172 Ca -0.09 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2kbo n ASP 172 Cb 0.54 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.51 0.00 0.64 0.44 0.00 -1.26 -4.61 105.19 101.92 2kbo n GLY 173 Ca 0.00 0.00 0.46 0.00 0.00 0.00 0.00 46.02 46.48 2kbo n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kbo n LEU 174 N -2.25 0.00 0.30 0.99 4.77 -0.89 0.11 117.00 120.03 2kbo n LEU 174 Ca 0.00 0.90 -0.12 0.00 -0.03 0.00 0.00 56.01 56.76 2kbo n LEU 174 Cb 0.48 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2kbo n LEU 174 CO 0.00 -0.90 0.45 -0.78 -1.33 0.00 0.00 177.39 174.83 2kbo h ASP 175 N 0.00 -0.65 -0.76 -1.43 1.82 -1.81 0.60 116.42 114.19 2kbo h ASP 175 Ca 0.80 0.02 0.18 0.00 -0.39 0.00 0.00 57.03 57.64 2kbo h ASP 175 Cb 3.44 0.17 -0.13 0.00 0.68 0.00 0.00 39.33 43.49 2kbo h ASP 175 CO -0.01 -0.42 0.05 -0.08 -1.61 0.00 0.00 179.24 177.17 2kbo h GLU 176 N -0.86 0.13 0.00 0.28 4.81 0.50 0.41 114.58 119.85 2kbo h GLU 176 Ca -0.08 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2kbo h GLU 176 Cb 0.59 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2kbo h GLU 176 CO 0.13 0.08 -0.00 0.45 -0.73 0.00 0.00 179.01 178.94 2kbo h HIS 177 N 0.13 -0.00 -0.70 0.92 3.86 -1.26 -2.25 115.15 115.85 2kbo h HIS 177 Ca 0.43 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.70 2kbo h HIS 177 Cb 0.76 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.15 2kbo h HIS 177 CO -0.39 -0.00 -0.41 0.45 0.86 0.00 0.00 177.93 178.44 2kbo n SER 178 N -2.00 -0.74 -0.36 2.45 2.88 0.21 0.14 113.62 116.20 2kbo n SER 178 Ca -0.00 1.38 0.06 0.00 -1.33 0.00 0.00 58.87 58.98 2kbo n SER 178 Cb 0.00 -0.23 0.14 0.00 -0.75 0.00 0.00 64.21 63.37 2kbo n SER 178 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2kbo h GLN 179 N 0.00 -0.00 0.46 -1.46 4.15 -0.24 0.86 115.11 118.88 2kbo h GLN 179 Ca 0.11 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 2kbo h GLN 179 Cb 0.29 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2kbo h GLN 179 CO -0.65 -0.00 -0.32 0.22 -1.93 0.00 0.00 178.83 176.14 2kbo h ASP 180 N -0.00 -0.84 0.45 -0.69 1.82 0.19 0.60 116.42 117.95 2kbo h ASP 180 Ca 0.48 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 57.16 2kbo h ASP 180 Cb 0.72 0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 2kbo h ASP 180 CO -1.02 -0.47 -0.37 0.25 -1.61 0.00 0.00 179.24 176.01 2kbo h LEU 181 N -0.75 -0.98 -0.01 2.28 6.46 -0.04 -1.72 115.31 120.55 2kbo h LEU 181 Ca -0.06 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2kbo h LEU 181 Cb 0.61 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 2kbo h LEU 181 CO 0.04 -0.54 -0.07 -1.28 -0.62 0.00 0.00 178.44 175.97 2kbo h SER 182 N -0.82 -0.23 -1.16 1.25 0.87 0.69 0.65 113.55 114.80 2kbo h SER 182 Ca -0.04 0.03 0.43 0.00 -1.23 0.00 0.00 61.79 60.97 2kbo h SER 182 Cb 0.71 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 62.61 2kbo h SER 182 CO -0.02 -0.07 0.72 0.61 -0.53 0.00 0.00 176.83 177.54 2kbo n GLY 183 N -1.06 -0.75 0.03 5.77 0.00 0.21 -0.47 105.19 108.91 2kbo n GLY 183 Ca -0.01 0.72 -0.01 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.05 -0.87 1.61 2.47 0.15 0.05 114.38 117.74 2kbo h ARG 184 Ca 0.81 0.00 0.30 0.00 -1.26 0.00 0.00 59.98 59.83 2kbo h ARG 184 Cb 2.45 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 30.63 2kbo h ARG 184 CO -0.53 -0.04 0.23 -0.11 0.56 0.00 0.00 179.97 180.09 2kbo n LEU 185 N -2.40 0.09 0.24 3.04 7.94 0.20 0.23 117.00 126.34 2kbo n LEU 185 Ca -0.01 1.46 -0.10 0.00 -1.11 0.00 0.00 56.01 56.25 2kbo n LEU 185 Cb 0.02 -0.61 -0.05 0.00 0.53 0.00 0.00 43.42 43.31 2kbo n LEU 185 CO 0.02 -1.55 0.52 0.03 -1.11 0.00 0.00 177.39 175.30 2kbo h ARG 186 N 0.00 -0.62 -0.41 1.96 -0.00 -0.85 -2.18 114.38 112.28 2kbo h ARG 186 Ca 0.62 0.04 0.04 0.00 -0.50 0.00 0.00 59.98 60.19 2kbo h ARG 186 Cb 1.49 0.14 -0.06 0.00 0.00 0.00 0.00 29.97 31.54 2kbo h ARG 186 CO -0.75 -0.41 -0.33 0.00 0.00 0.00 0.00 179.97 178.49 2kbo h ALA 187 N -1.60 -0.43 -1.02 0.04 0.00 0.50 1.63 119.26 118.38 2kbo h ALA 187 Ca -0.06 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.13 2kbo h ALA 187 Cb 0.51 1.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.28 2kbo h ALA 187 CO 0.08 -0.63 0.62 -0.84 0.00 0.00 0.00 179.25 178.48 2kbo h ILE 188 N -0.10 0.55 0.15 0.00 -0.00 0.06 0.57 117.51 118.74 2kbo h ILE 188 Ca 0.07 -0.18 -0.01 0.00 -0.00 0.00 0.00 64.86 64.74 2kbo h ILE 188 Cb 0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.07 2kbo h ILE 188 CO -0.44 0.10 -0.07 0.25 -0.00 0.00 0.00 178.15 177.98 2kbo h LEU 189 N 0.54 -0.18 -0.63 0.16 5.85 -0.18 -3.20 115.31 117.68 2kbo h LEU 189 Ca 0.62 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.17 2kbo h LEU 189 Cb 1.28 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2kbo h LEU 189 CO -0.40 0.36 0.00 0.00 -0.34 0.00 0.00 178.44 178.06 2kbo n GLN 190 N -4.90 0.33 -2.18 1.25 6.02 0.53 -4.84 117.38 113.60 2kbo n GLN 190 Ca -0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.79 2kbo n GLN 190 Cb 0.17 -1.10 0.01 0.00 1.02 0.00 0.00 30.24 30.34 2kbo n GLN 190 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2kbo n ASN 191 N 0.02 -2.21 -4.56 1.08 5.15 0.19 -4.61 115.26 110.33 2kbo n ASN 191 Ca 0.00 -0.12 -0.22 0.00 -0.60 0.00 0.00 54.58 53.64 2kbo n ASN 191 Cb 0.05 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 38.59 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 -1.32 2.20 0.25 1.20 -0.44 -0.96 -4.80 119.66 115.79 2kbo s GLN 192 Ca 0.14 -0.16 0.00 0.00 -2.50 0.00 0.00 55.36 52.84 2kbo s GLN 192 Cb -0.01 -5.00 0.00 0.00 -1.64 0.00 0.00 33.01 26.36 2kbo s GLN 192 CO 0.36 -3.86 0.00 0.39 0.50 0.00 0.00 175.29 172.68 2kbo n GLU 193 N 8.75 -0.85 0.00 1.67 1.02 -1.26 -5.07 120.64 124.91 2kbo n GLU 193 Ca 0.43 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 2kbo n GLU 193 Cb 0.46 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 2kbo n GLU 193 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58