#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 0.04 -0.00 -0.41 0.00 -1.26 -3.85 117.12 111.65 2kbo n MET 2 Ca 0.00 0.12 -0.00 0.00 -0.00 0.00 0.00 57.70 57.82 2kbo n MET 2 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 31.72 2kbo n MET 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2kbo h LEU 3 N 0.00 0.00 0.00 -0.89 4.07 -2.04 -3.45 115.31 113.00 2kbo h LEU 3 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kbo h LEU 3 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2kbo h LEU 3 CO 0.00 0.03 0.00 -1.14 -1.08 0.00 0.00 178.44 176.25 2kbo n ARG 4 N -2.21 0.00 0.00 1.13 0.63 -1.25 -4.75 116.66 110.22 2kbo n ARG 4 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2kbo n ARG 4 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2kbo n ARG 4 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2kbo n HIS 5 N 0.00 0.00 0.00 -0.14 8.25 -1.26 -4.19 115.22 117.88 2kbo n HIS 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kbo n HIS 5 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2kbo n HIS 5 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kbo n SER 6 N 1.20 0.00 0.11 0.41 2.88 -1.26 -5.03 113.62 111.93 2kbo n SER 6 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 2kbo n SER 6 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2kbo n SER 6 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2kbo h MET 7 N 0.00 -0.29 0.00 -1.46 0.00 -1.98 -3.45 114.93 107.75 2kbo h MET 7 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 59.70 59.54 2kbo h MET 7 Cb 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 31.60 31.53 2kbo h MET 7 CO 0.00 -0.19 -0.36 -3.47 0.00 0.00 0.00 176.91 172.88 2kbo n ASP 8 N -3.12 -2.42 -0.34 1.22 2.03 -1.26 -4.93 116.55 107.73 2kbo n ASP 8 Ca -0.04 -2.94 0.03 0.00 0.52 0.00 0.00 54.79 52.36 2kbo n ASP 8 Cb 0.12 1.56 0.10 0.00 -0.72 0.00 0.00 41.12 42.18 2kbo n ASP 8 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2kbo h PRO 9 N 3.64 -0.01 0.00 -0.67 0.11 -1.87 0.55 132.00 133.75 2kbo h PRO 9 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2kbo h PRO 9 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2kbo h PRO 9 CO 0.18 -0.01 0.53 -1.00 -0.21 0.00 0.00 178.00 177.49 2kbo h PRO 10 N -0.01 0.00 0.00 1.05 0.13 -1.96 0.98 132.00 132.19 2kbo h PRO 10 Ca 0.41 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.43 2kbo h PRO 10 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 2kbo h PRO 10 CO -0.96 0.00 -0.55 0.00 -0.23 0.00 0.00 178.00 176.26 2kbo h THR 11 N 0.00 1.09 0.00 1.56 1.03 -0.31 -3.11 112.91 113.17 2kbo h THR 11 Ca 0.00 -2.11 -0.09 0.00 -0.01 0.00 0.00 66.41 64.20 2kbo h THR 11 Cb 1.06 2.25 -0.01 0.00 -1.07 0.00 0.00 68.15 70.38 2kbo h THR 11 CO 0.00 0.53 -0.41 0.15 -0.01 0.00 0.00 175.52 175.78 2kbo h PHE 12 N 0.00 0.00 -0.07 0.00 3.57 0.89 -3.15 116.94 118.19 2kbo h PHE 12 Ca -0.01 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2kbo h PHE 12 Cb 1.21 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2kbo h PHE 12 CO 0.00 0.41 0.08 1.79 -2.23 0.00 0.00 178.31 178.36 2kbo h THR 13 N 0.00 0.54 0.00 4.41 1.35 -1.56 -0.10 112.91 117.55 2kbo h THR 13 Ca -0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.68 2kbo h THR 13 Cb 1.18 0.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.52 2kbo h THR 13 CO 0.05 0.00 -0.87 -0.26 -0.25 0.00 0.00 175.52 174.19 2kbo h PHE 14 N 0.00 0.00 0.00 4.73 -1.00 -1.70 -3.47 116.94 115.49 2kbo h PHE 14 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2kbo h PHE 14 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 2kbo h PHE 14 CO 0.00 0.78 0.00 0.09 -1.61 0.00 0.00 178.31 177.57 2kbo n ASN 15 N -3.25 0.00 -0.49 2.17 3.02 -0.05 -4.07 115.26 112.59 2kbo n ASN 15 Ca -0.01 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.57 2kbo n ASN 15 Cb 0.86 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 40.13 2kbo n ASN 15 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2kbo n PHE 16 N 0.00 0.34 -1.11 3.10 7.35 -1.26 -5.02 117.46 120.86 2kbo n PHE 16 Ca 0.00 -0.15 0.12 0.00 -0.76 0.00 0.00 57.45 56.65 2kbo n PHE 16 Cb 0.00 -0.05 -0.05 0.00 0.35 0.00 0.00 39.48 39.73 2kbo n PHE 16 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2kbo n ASN 17 N 0.12 -5.31 -0.06 -2.13 3.02 -1.26 -4.90 115.26 104.74 2kbo n ASN 17 Ca 0.07 0.80 -0.12 0.00 -0.03 0.00 0.00 54.58 55.29 2kbo n ASN 17 Cb 0.25 -3.65 -0.04 0.00 -0.61 0.00 0.00 39.78 35.72 2kbo n ASN 17 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2kbo n ASN 18 N -4.07 1.03 -4.86 6.41 0.23 -1.26 -5.01 115.26 107.73 2kbo n ASN 18 Ca -0.04 0.17 -0.31 0.00 -0.53 0.00 0.00 54.58 53.87 2kbo n ASN 18 Cb 0.54 -0.41 -0.04 0.00 -2.08 0.00 0.00 39.78 37.78 2kbo n ASN 18 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2kbo s GLU 19 N -2.28 3.89 0.00 -3.83 0.41 -1.26 -5.07 118.70 110.56 2kbo s GLU 19 Ca -0.18 0.68 0.00 0.00 -0.41 0.00 0.00 54.97 55.06 2kbo s GLU 19 Cb 0.06 -2.31 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 2kbo s GLU 19 CO 0.23 -0.08 0.00 -0.35 -0.49 0.00 0.00 175.26 174.57 2kbo n PRO 20 N -1.21 0.00 0.00 0.39 -0.04 -1.26 -5.10 135.00 127.78 2kbo n PRO 20 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2kbo n PRO 20 Cb 0.54 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 2kbo n PRO 20 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2kbo n TRP 21 N 0.00 0.00 1.15 0.54 8.01 -1.26 -4.95 117.44 120.93 2kbo n TRP 21 Ca 0.00 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.21 2kbo n TRP 21 Cb 0.00 0.00 0.10 0.00 -2.01 0.00 0.00 31.31 29.40 2kbo n TRP 21 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.69 178.01 2kbo n VAL 22 N 0.00 0.00 -1.55 -0.99 0.24 -1.26 -4.17 118.33 110.61 2kbo n VAL 22 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 2kbo n VAL 22 Cb 0.00 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.03 2kbo n VAL 22 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2kbo n ARG 23 N -0.59 3.87 -0.71 7.34 0.63 -1.26 -3.84 116.66 122.09 2kbo n ARG 23 Ca 0.03 -2.59 0.02 0.00 -0.92 0.00 0.00 57.85 54.39 2kbo n ARG 23 Cb 0.01 -2.66 0.20 0.00 0.45 0.00 0.00 32.46 30.46 2kbo n ARG 23 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kbo n GLY 24 N 2.71 5.15 5.00 5.14 0.00 -1.26 -4.95 105.19 116.98 2kbo n GLY 24 Ca 0.69 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.11 0.00 -0.54 1.61 0.63 -1.26 -3.77 116.66 112.23 2kbo n ARG 25 Ca 0.23 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.23 2kbo n ARG 25 Cb 0.78 0.00 0.26 0.00 0.45 0.00 0.00 32.46 33.95 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 1.10 -2.76 -0.14 -0.00 -1.26 -5.02 115.22 107.13 2kbo n HIS 26 Ca 0.00 -0.97 -0.03 0.00 0.46 0.00 0.00 57.72 57.18 2kbo n HIS 26 Cb 0.00 -0.37 -0.02 0.00 -0.12 0.00 0.00 29.99 29.48 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 -0.51 -3.44 -0.35 1.57 1.02 -1.25 -4.78 120.64 112.91 2kbo n GLU 27 Ca 0.24 2.72 0.08 0.00 -0.02 0.00 0.00 57.16 60.18 2kbo n GLU 27 Cb 0.95 -4.24 0.22 0.00 -0.02 0.00 0.00 31.44 28.35 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 1.47 1.93 -3.59 2.62 5.66 -1.26 -4.50 114.28 116.60 2kbo n THR 28 Ca -0.20 -1.68 -0.29 0.00 -3.05 0.00 0.00 64.05 58.83 2kbo n THR 28 Cb 0.35 -0.06 -0.12 0.00 -1.55 0.00 0.00 70.33 68.95 2kbo n THR 28 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2kbo s TYR 29 N -2.36 1.39 0.10 1.09 2.02 -1.26 -4.64 117.35 113.69 2kbo s TYR 29 Ca 0.36 -2.06 -0.26 0.00 -0.37 0.00 0.00 57.07 54.75 2kbo s TYR 29 Cb 0.28 -1.43 0.08 0.00 -0.40 0.00 0.00 41.96 40.49 2kbo s TYR 29 CO 0.10 -0.80 0.79 -0.48 -1.57 0.00 0.00 175.55 173.59 2kbo s LEU 30 N 0.67 -0.39 0.01 -1.29 0.05 -1.26 -4.29 118.68 112.17 2kbo s LEU 30 Ca 0.18 -0.13 -0.01 0.00 0.05 0.00 0.00 54.13 54.23 2kbo s LEU 30 Cb -0.23 2.30 -0.01 0.00 -2.05 0.00 0.00 46.19 46.20 2kbo s LEU 30 CO 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 176.35 174.95 2kbo s TYR 32 N -0.68 0.81 -0.10 0.00 6.14 -0.95 -0.22 117.35 122.34 2kbo s TYR 32 Ca -0.07 -0.24 0.02 0.00 0.64 0.00 0.00 57.07 57.42 2kbo s TYR 32 Cb -0.05 -0.71 0.01 0.00 0.42 0.00 0.00 41.96 41.64 2kbo s TYR 32 CO -0.00 -0.21 -0.14 -1.21 0.64 0.00 0.00 175.55 174.63 2kbo s GLU 33 N 0.95 2.06 0.03 4.97 2.02 0.26 -3.80 118.70 125.20 2kbo s GLU 33 Ca -0.11 -0.51 0.01 0.00 0.02 0.00 0.00 54.97 54.39 2kbo s GLU 33 Cb -0.14 -1.76 -0.02 0.00 0.10 0.00 0.00 34.13 32.30 2kbo s GLU 33 CO 0.00 -0.05 -0.05 0.54 0.02 0.00 0.00 175.26 175.72 2kbo s VAL 34 N 0.95 0.33 0.00 2.63 0.11 -1.26 0.15 120.40 123.31 2kbo s VAL 34 Ca -0.08 -1.04 0.05 0.00 -2.93 0.00 0.00 61.98 57.99 2kbo s VAL 34 Cb -0.15 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2kbo s VAL 34 CO -0.01 -0.46 -0.17 -1.61 -3.33 0.00 0.00 175.10 169.52 2kbo s GLU 35 N -1.63 1.27 0.11 1.54 2.02 -0.26 -4.74 118.70 117.02 2kbo s GLU 35 Ca -0.12 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.24 2kbo s GLU 35 Cb -0.09 -1.26 -0.04 0.00 0.10 0.00 0.00 34.13 32.84 2kbo s GLU 35 CO -0.01 0.34 0.13 -0.98 0.02 0.00 0.00 175.26 174.76 2kbo s ARG 36 N -0.61 3.01 -0.15 1.61 1.70 -1.26 -0.41 118.95 122.84 2kbo s ARG 36 Ca 0.06 -0.71 -0.05 0.00 -0.47 0.00 0.00 55.73 54.56 2kbo s ARG 36 Cb -0.07 -2.76 -0.03 0.00 -0.57 0.00 0.00 34.95 31.52 2kbo s ARG 36 CO 0.00 0.54 0.00 -1.64 -1.08 0.00 0.00 175.30 173.12 2kbo s MET 37 N -2.72 3.64 -0.54 3.89 -1.94 0.29 -1.41 119.30 120.52 2kbo s MET 37 Ca 0.31 -0.44 -0.14 0.00 -1.71 0.00 0.00 55.69 53.71 2kbo s MET 37 Cb -0.11 -2.99 0.13 0.00 2.01 0.00 0.00 34.83 33.87 2kbo s MET 37 CO 0.24 0.35 0.47 -1.58 -0.01 0.00 0.00 175.02 174.48 2kbo s HIS 38 N 0.11 3.33 0.00 -0.03 2.46 -0.27 -2.68 115.29 118.21 2kbo s HIS 38 Ca 0.02 -1.51 0.00 0.00 0.47 0.00 0.00 55.06 54.04 2kbo s HIS 38 Cb -0.13 -3.71 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 2kbo s HIS 38 CO 0.02 -1.01 0.00 -1.71 -2.47 0.00 0.00 174.74 169.57 2kbo n ASN 39 N 5.07 -1.68 -0.13 9.88 2.85 -1.26 -2.44 115.26 127.56 2kbo n ASN 39 Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 2kbo n ASN 39 Cb 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 2kbo n ASN 39 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kbo n ASP 40 N -2.06 0.00 -4.14 1.20 9.92 -1.26 -4.51 116.55 115.71 2kbo n ASP 40 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 2kbo n ASP 40 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 2kbo n ASP 40 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kbo s THR 41 N -1.46 0.58 0.18 -3.53 -1.32 -1.02 -5.15 115.64 103.91 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 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 2kbo s THR 41 CO 0.00 0.00 0.12 -1.66 -2.21 0.00 0.00 174.62 170.87 2kbo s TRP 42 N -3.47 3.09 0.08 9.09 -2.14 -1.26 -1.11 118.94 123.21 2kbo s TRP 42 Ca 0.33 -0.05 0.04 0.00 2.66 0.00 0.00 56.10 59.08 2kbo s TRP 42 Cb 0.05 -1.47 -0.03 0.00 -3.10 0.00 0.00 33.47 28.92 2kbo s TRP 42 CO 0.16 0.52 -0.11 0.08 -2.66 0.00 0.00 176.95 174.94 2kbo s VAL 43 N -1.80 0.93 -0.34 -0.66 1.01 -0.50 -4.71 120.40 114.32 2kbo s VAL 43 Ca 0.31 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.88 2kbo s VAL 43 Cb -0.10 -1.13 0.10 0.00 0.00 0.00 0.00 36.38 35.25 2kbo s VAL 43 CO 0.23 -0.42 0.06 -1.48 0.00 0.00 0.00 175.10 173.49 2kbo s LEU 44 N -2.06 4.71 1.18 3.92 2.34 -1.26 -4.04 118.68 123.47 2kbo s LEU 44 Ca 0.00 -2.03 -0.16 0.00 0.06 0.00 0.00 54.13 52.00 2kbo s LEU 44 Cb -0.06 -1.66 0.23 0.00 -0.56 0.00 0.00 46.19 44.13 2kbo s LEU 44 CO 0.01 -0.39 0.60 0.18 -1.06 0.00 0.00 176.35 175.69 2kbo n LEU 45 N 4.35 -2.04 -0.03 1.48 4.77 -1.26 -5.00 117.00 119.27 2kbo n LEU 45 Ca 0.00 -0.22 -0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2kbo n LEU 45 Cb 0.42 -1.11 -0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2kbo n LEU 45 CO 0.24 -3.32 -0.03 -1.13 -1.33 0.00 0.00 177.39 171.81 2kbo h ASN 46 N -2.56 0.00 -0.85 -1.43 -1.24 -1.99 -3.47 115.58 104.04 2kbo h ASN 46 Ca -0.59 0.00 -0.41 0.00 0.71 0.00 0.00 56.30 56.01 2kbo h ASN 46 Cb 1.34 0.00 0.09 0.00 0.73 0.00 0.00 38.32 40.47 2kbo h ASN 46 CO 0.44 0.27 -0.47 0.00 -1.29 0.00 0.00 177.43 176.38 2kbo n GLN 47 N -3.40 0.00 -0.07 6.67 3.00 -1.26 -4.91 117.38 117.41 2kbo n GLN 47 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.87 2kbo n GLN 47 Cb 0.03 -0.64 -0.06 0.00 0.00 0.00 0.00 30.24 29.56 2kbo n GLN 47 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2kbo n ARG 48 N 0.75 0.35 -3.72 -1.09 0.00 -1.26 -5.01 116.66 106.69 2kbo n ARG 48 Ca 0.09 0.09 -0.12 0.00 -0.00 0.00 0.00 57.85 57.92 2kbo n ARG 48 Cb 0.21 -1.25 -0.11 0.00 -0.00 0.00 0.00 32.46 31.31 2kbo n ARG 48 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2kbo s ARG 49 N -2.29 0.39 -0.16 2.89 1.70 -1.26 -4.79 118.95 115.43 2kbo s ARG 49 Ca -0.20 0.66 -0.28 0.00 -0.47 0.00 0.00 55.73 55.44 2kbo s ARG 49 Cb 0.06 0.05 0.09 0.00 -0.57 0.00 0.00 34.95 34.58 2kbo s ARG 49 CO 0.32 -0.12 0.79 0.20 -1.08 0.00 0.00 175.30 175.42 2kbo s GLY 50 N 0.93 -0.46 0.01 3.88 0.00 -1.25 -5.00 107.32 105.44 2kbo s GLY 50 Ca -0.06 1.82 -0.01 0.00 0.00 0.00 0.00 44.72 46.47 2kbo s GLY 50 CO -0.07 1.30 0.04 1.97 0.00 0.00 0.00 173.10 176.35 2kbo n PHE 51 N 1.54 -0.72 -4.85 1.90 -1.74 -1.26 -2.25 117.46 110.08 2kbo n PHE 51 Ca -0.15 -0.06 -0.33 0.00 -0.56 0.00 0.00 57.45 56.35 2kbo n PHE 51 Cb 0.56 0.03 -0.13 0.00 1.52 0.00 0.00 39.48 41.46 2kbo n PHE 51 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2kbo s LEU 52 N 0.00 2.75 0.64 5.98 0.05 -1.26 -5.09 118.68 121.75 2kbo s LEU 52 Ca 0.01 -0.22 0.06 0.00 0.05 0.00 0.00 54.13 54.03 2kbo s LEU 52 Cb -0.00 -1.58 0.11 0.00 -2.05 0.00 0.00 46.19 42.67 2kbo s LEU 52 CO 0.00 0.30 0.88 0.00 -0.55 0.00 0.00 176.35 176.99 2kbo n ASN 54 N -2.49 0.20 -4.79 0.00 2.85 -1.26 -4.13 115.26 105.63 2kbo n ASN 54 Ca 0.16 0.94 -0.36 0.00 -0.11 0.00 0.00 54.58 55.22 2kbo n ASN 54 Cb 0.61 -0.46 -0.07 0.00 1.24 0.00 0.00 39.78 41.11 2kbo n ASN 54 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kbo s GLN 55 N -4.86 4.47 0.19 1.20 -1.52 -1.26 -4.91 119.66 112.96 2kbo s GLN 55 Ca -0.05 1.24 0.10 0.00 -1.95 0.00 0.00 55.36 54.70 2kbo s GLN 55 Cb 0.19 -2.64 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 2kbo s GLN 55 CO 0.44 0.21 -0.21 0.00 -0.25 0.00 0.00 175.29 175.48 2kbo s ALA 56 N -1.76 2.31 0.28 6.09 0.00 -1.26 -4.95 121.76 122.48 2kbo s ALA 56 Ca 0.53 -1.60 -0.22 0.00 0.00 0.00 0.00 51.96 50.67 2kbo s ALA 56 Cb -0.16 -0.25 -0.15 0.00 0.00 0.00 0.00 23.12 22.56 2kbo s ALA 56 CO 0.21 0.32 0.26 -2.30 0.00 0.00 0.00 175.76 174.24 2kbo n PRO 57 N 0.16 0.00 0.00 0.00 -0.02 -1.26 -4.89 135.00 128.98 2kbo n PRO 57 Ca -0.12 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.43 2kbo n PRO 57 Cb 0.57 -0.90 -0.02 0.00 -0.02 0.00 0.00 33.50 33.14 2kbo n PRO 57 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2kbo n HIS 58 N -0.49 0.00 0.28 6.00 1.44 -1.26 -4.41 115.22 116.78 2kbo n HIS 58 Ca 0.13 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.84 2kbo n HIS 58 Cb 0.30 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.53 2kbo n HIS 58 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2kbo n LYS 59 N -0.40 2.19 -3.67 -1.40 5.02 -1.26 -4.84 118.16 113.79 2kbo n LYS 59 Ca 0.05 -1.14 -0.12 0.00 -2.02 0.00 0.00 58.31 55.08 2kbo n LYS 59 Cb 0.27 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 2kbo n LYS 59 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2kbo s HIS 60 N -1.53 -0.23 0.00 2.13 2.46 -1.26 -5.16 115.29 111.69 2kbo s HIS 60 Ca 0.20 0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.85 2kbo s HIS 60 Cb 0.16 0.21 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 2kbo s HIS 60 CO 0.05 -0.59 0.00 0.41 -2.47 0.00 0.00 174.74 172.15 2kbo n GLY 61 N 0.38 -2.50 3.66 1.59 0.00 -1.26 -4.88 105.19 102.18 2kbo n GLY 61 Ca -0.18 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 2kbo n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kbo s PHE 62 N 0.00 3.35 0.47 1.61 0.40 -1.26 -4.99 117.98 117.56 2kbo s PHE 62 Ca 0.00 0.52 0.05 0.00 -0.60 0.00 0.00 56.93 56.90 2kbo s PHE 62 Cb 0.00 -2.48 0.02 0.00 0.51 0.00 0.00 43.02 41.06 2kbo s PHE 62 CO 0.00 -0.02 0.65 -0.51 0.70 0.00 0.00 175.22 176.04 2kbo s LEU 63 N 1.34 3.53 0.00 -0.37 2.01 -1.26 -5.12 118.68 118.80 2kbo s LEU 63 Ca 0.16 -0.21 -0.02 0.00 0.01 0.00 0.00 54.13 54.07 2kbo s LEU 63 Cb -0.15 -2.77 0.04 0.00 0.01 0.00 0.00 46.19 43.32 2kbo s LEU 63 CO 0.07 -0.89 0.26 -1.84 1.01 0.00 0.00 176.35 174.97 2kbo n GLU 64 N -2.04 0.10 -1.31 1.70 0.28 -1.26 -4.92 120.64 113.19 2kbo n GLU 64 Ca 0.07 -0.54 -0.36 0.00 -0.16 0.00 0.00 57.16 56.17 2kbo n GLU 64 Cb 0.59 -0.22 -0.04 0.00 1.43 0.00 0.00 31.44 33.19 2kbo n GLU 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kbo n GLY 65 N 3.16 4.17 3.70 -1.84 0.00 -1.26 -4.94 105.19 108.18 2kbo n GLY 65 Ca 0.04 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 2kbo n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbo n ARG 66 N 3.38 2.44 -4.08 1.61 1.74 -1.26 -4.99 116.66 115.49 2kbo n ARG 66 Ca 0.75 0.88 -0.26 0.00 -0.77 0.00 0.00 57.85 58.44 2kbo n ARG 66 Cb 0.30 -2.66 -0.05 0.00 -1.02 0.00 0.00 32.46 29.03 2kbo n ARG 66 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2kbo s HIS 67 N 0.68 3.16 0.29 -1.55 3.76 -1.26 -4.89 115.29 115.47 2kbo s HIS 67 Ca 0.73 -0.02 0.16 0.00 -0.15 0.00 0.00 55.06 55.78 2kbo s HIS 67 Cb -0.58 -1.51 1.03 0.00 1.11 0.00 0.00 32.58 32.63 2kbo s HIS 67 CO 0.40 0.52 1.23 0.00 -0.85 0.00 0.00 174.74 176.04 2kbo n ALA 68 N -0.44 0.78 0.19 -1.40 0.00 -1.26 0.61 120.51 118.99 2kbo n ALA 68 Ca -0.08 0.80 -0.17 0.00 0.00 0.00 0.00 53.44 53.99 2kbo n ALA 68 Cb 0.55 -0.78 -0.10 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.82 0.00 0.00 9.09 -1.95 -1.10 114.58 119.80 2kbo h GLU 69 Ca 0.65 0.06 -0.02 0.00 0.05 0.00 0.00 59.36 60.09 2kbo h GLU 69 Cb 1.71 0.19 -0.00 0.00 -1.65 0.00 0.00 28.75 28.99 2kbo h GLU 69 CO -0.61 -0.55 -0.11 -0.07 0.05 0.00 0.00 179.01 177.72 2kbo h LEU 70 N -0.85 0.00 0.29 3.06 -0.00 -0.14 -2.91 115.31 114.76 2kbo h LEU 70 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2kbo h LEU 70 Cb 0.79 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 2kbo h LEU 70 CO -0.17 0.11 -0.31 0.00 -0.00 0.00 0.00 178.44 178.07 2kbo h PHE 72 N -0.63 1.11 -0.35 0.00 -5.15 -1.41 -0.51 116.94 110.00 2kbo h PHE 72 Ca -0.01 -0.26 0.10 0.00 -0.20 0.00 0.00 57.97 57.60 2kbo h PHE 72 Cb 0.58 -0.26 -0.01 0.00 0.22 0.00 0.00 35.95 36.48 2kbo h PHE 72 CO -0.20 1.07 0.90 1.25 -2.00 0.00 0.00 178.31 179.33 2kbo h LEU 73 N 0.85 0.00 0.00 2.10 5.85 -1.25 3.39 115.31 126.24 2kbo h LEU 73 Ca 0.12 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.65 2kbo h LEU 73 Cb 0.76 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2kbo h LEU 73 CO 0.06 0.00 -1.69 -0.67 -0.34 0.00 0.00 178.44 175.80 2kbo n ASP 74 N -2.91 0.56 -0.04 1.25 2.03 -0.22 -4.46 116.55 112.75 2kbo n ASP 74 Ca 0.07 0.25 -0.15 0.00 0.52 0.00 0.00 54.79 55.48 2kbo n ASP 74 Cb 1.02 0.61 -0.13 0.00 -0.72 0.00 0.00 41.12 41.89 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 1.70 -0.91 5.18 3.04 0.65 -3.15 116.25 122.76 2kbo h VAL 75 Ca -0.22 -2.27 0.17 0.00 -1.01 0.00 0.00 66.70 63.38 2kbo h VAL 75 Cb 1.63 3.22 -0.17 0.00 -2.01 0.00 0.00 31.29 33.96 2kbo h VAL 75 CO 0.04 0.60 -0.26 -0.38 -1.01 0.00 0.00 177.57 176.56 2kbo n ILE 76 N -4.52 -0.41 0.47 3.17 2.08 -0.70 0.37 119.36 119.82 2kbo n ILE 76 Ca -0.11 2.09 0.12 0.00 0.56 0.00 0.00 62.75 65.42 2kbo n ILE 76 Cb 0.53 -2.86 0.47 0.00 -0.75 0.00 0.00 39.64 37.03 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 -5.45 0.22 -0.14 0.38 -0.04 -1.25 -3.25 135.00 125.47 2kbo n PRO 77 Ca 0.13 0.36 -0.11 0.00 -0.04 0.00 0.00 63.50 63.84 2kbo n PRO 77 Cb 0.43 -1.86 -0.01 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.90 0.00 0.54 3.57 0.67 -2.74 116.94 119.88 2kbo h PHE 78 Ca 0.00 -0.19 -0.06 0.00 3.53 0.00 0.00 57.97 61.25 2kbo h PHE 78 Cb 0.50 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2kbo h PHE 78 CO 0.00 0.92 -0.28 -1.49 -2.23 0.00 0.00 178.31 175.22 2kbo h TRP 79 N 0.63 0.00 -6.10 0.41 6.55 -1.43 -3.47 115.95 112.53 2kbo h TRP 79 Ca 0.11 0.00 -0.39 0.00 0.95 0.00 0.00 58.89 59.56 2kbo h TRP 79 Cb 0.62 0.00 0.10 0.00 -0.86 0.00 0.00 29.16 29.02 2kbo h TRP 79 CO 0.05 0.28 -0.90 1.63 -1.05 0.00 0.00 178.44 178.45 2kbo n LYS 80 N -3.61 -1.37 0.00 0.49 5.02 -1.03 -4.99 118.16 112.67 2kbo n LYS 80 Ca -0.01 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2kbo n LYS 80 Cb 0.41 -4.37 0.00 0.00 -0.02 0.00 0.00 35.03 31.06 2kbo n LYS 80 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kbo n LEU 81 N -3.92 0.00 0.00 -0.35 4.32 -1.26 -5.10 117.00 110.69 2kbo n LEU 81 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 2kbo n LEU 81 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2kbo n LEU 81 CO 0.65 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.29 2kbo n ASP 82 N 0.00 1.42 -0.11 -1.43 9.92 -1.26 -5.09 116.55 120.00 2kbo n ASP 82 Ca 0.00 -0.32 -0.24 0.00 -0.53 0.00 0.00 54.79 53.70 2kbo n ASP 82 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 2kbo n ASP 82 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2kbo n LEU 83 N 0.00 1.90 0.00 0.64 -0.00 -1.26 -4.13 117.00 114.14 2kbo n LEU 83 Ca 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 56.01 56.41 2kbo n LEU 83 Cb 0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 43.42 42.49 2kbo n LEU 83 CO 0.00 0.37 0.42 -0.67 -0.00 0.00 0.00 177.39 177.51 2kbo n ASP 84 N -4.37 0.00 -4.78 1.96 2.03 -1.26 -4.61 116.55 105.52 2kbo n ASP 84 Ca -0.39 0.31 -0.24 0.00 0.52 0.00 0.00 54.79 54.99 2kbo n ASP 84 Cb 0.74 -0.31 0.08 0.00 -0.72 0.00 0.00 41.12 40.92 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 -2.57 1.96 0.29 -0.67 -1.52 -1.26 -4.09 119.66 111.80 2kbo s GLN 85 Ca 0.00 -0.74 -0.03 0.00 -1.95 0.00 0.00 55.36 52.64 2kbo s GLN 85 Cb 0.00 -2.29 -0.01 0.00 -0.22 0.00 0.00 33.01 30.49 2kbo s GLN 85 CO 0.00 -1.27 0.38 -0.51 -0.25 0.00 0.00 175.29 173.64 2kbo s ASP 86 N -4.61 0.65 0.08 5.90 1.01 -1.09 -4.90 116.67 113.71 2kbo s ASP 86 Ca 0.63 -1.39 0.03 0.00 0.71 0.00 0.00 52.55 52.53 2kbo s ASP 86 Cb -0.08 0.57 -0.03 0.00 1.01 0.00 0.00 42.92 44.39 2kbo s ASP 86 CO 0.43 -1.14 -0.08 -0.31 0.21 0.00 0.00 175.17 174.28 2kbo s TYR 87 N -3.54 0.89 -0.36 4.23 2.02 -1.26 0.11 117.35 119.44 2kbo s TYR 87 Ca 0.32 -0.68 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 2kbo s TYR 87 Cb 0.01 -0.51 0.15 0.00 -0.40 0.00 0.00 41.96 41.21 2kbo s TYR 87 CO 0.17 -0.07 0.25 1.03 -1.57 0.00 0.00 175.55 175.36 2kbo s ARG 88 N -2.72 0.60 0.36 -0.62 0.52 0.45 -3.47 118.95 114.07 2kbo s ARG 88 Ca 0.03 -1.36 -0.17 0.00 -0.52 0.00 0.00 55.73 53.71 2kbo s ARG 88 Cb -0.03 -1.22 -0.10 0.00 0.52 0.00 0.00 34.95 34.12 2kbo s ARG 88 CO -0.01 -1.23 0.80 0.08 0.02 0.00 0.00 175.30 174.96 2kbo s VAL 89 N 0.99 4.59 -0.16 3.52 1.01 0.23 -1.10 120.40 129.49 2kbo s VAL 89 Ca 0.20 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.26 2kbo s VAL 89 Cb -0.18 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.66 2kbo s VAL 89 CO -0.02 -0.23 0.17 -0.89 0.00 0.00 0.00 175.10 174.13 2kbo s THR 90 N -2.05 -0.25 -0.22 3.92 2.01 0.40 -1.10 115.64 118.36 2kbo s THR 90 Ca 0.57 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.51 2kbo s THR 90 Cb -0.10 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2kbo s THR 90 CO 0.16 -0.12 0.06 0.00 -0.69 0.00 0.00 174.62 174.03 2kbo s PHE 92 N 1.07 3.49 -0.21 0.00 0.08 0.69 -0.38 117.98 122.71 2kbo s PHE 92 Ca 0.04 -2.07 -0.05 0.00 0.12 0.00 0.00 56.93 54.97 2kbo s PHE 92 Cb -0.14 -3.40 0.11 0.00 -0.57 0.00 0.00 43.02 39.01 2kbo s PHE 92 CO 0.03 -0.99 0.39 0.99 -0.10 0.00 0.00 175.22 175.54 2kbo s THR 93 N 1.28 -0.61 -0.38 0.64 2.01 -0.87 -0.51 115.64 117.19 2kbo s THR 93 Ca 0.07 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.13 2kbo s THR 93 Cb -0.25 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2kbo s THR 93 CO -0.02 -0.01 0.57 -1.20 -0.69 0.00 0.00 174.62 173.27 2kbo n SER 94 N 5.38 0.00 -4.64 3.53 7.64 -1.26 -3.90 113.62 120.36 2kbo n SER 94 Ca -0.06 0.13 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 2kbo n SER 94 Cb 0.50 -0.13 -0.10 0.00 -1.01 0.00 0.00 64.21 63.47 2kbo n SER 94 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2kbo s TRP 95 N -2.14 3.02 0.06 1.43 -0.00 -1.26 -0.25 118.94 119.79 2kbo s TRP 95 Ca 0.00 0.06 -0.00 0.00 -0.00 0.00 0.00 56.10 56.16 2kbo s TRP 95 Cb 0.00 -1.69 0.01 0.00 -0.00 0.00 0.00 33.47 31.79 2kbo s TRP 95 CO 0.00 0.41 0.08 0.45 -0.00 0.00 0.00 176.95 177.89 2kbo n SER 96 N 1.77 0.08 -1.79 5.86 2.88 -1.26 -4.73 113.62 116.44 2kbo n SER 96 Ca -0.16 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 2kbo n SER 96 Cb 0.53 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2kbo n SER 96 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2kbo n PRO 97 N -1.15 3.35 -3.76 -1.46 -0.04 -1.26 -5.04 135.00 125.65 2kbo n PRO 97 Ca 0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 2kbo n PRO 97 Cb 0.04 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.45 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 -0.21 0.07 -0.03 0.00 -1.74 -1.26 -0.16 117.46 114.12 2kbo n PHE 99 Ca -0.13 1.05 -0.03 0.00 -0.56 0.00 0.00 57.45 57.79 2kbo n PHE 99 Cb 0.63 -0.85 -0.01 0.00 1.52 0.00 0.00 39.48 40.78 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 -5.28 0.76 -0.36 5.98 2.88 -1.26 -2.09 113.62 114.24 2kbo n SER 100 Ca 0.10 0.30 0.33 0.00 -1.33 0.00 0.00 58.87 58.27 2kbo n SER 100 Cb 0.36 -0.63 0.51 0.00 -0.75 0.00 0.00 64.21 63.70 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 0.62 0.08 0.02 0.00 0.00 -0.74 -2.97 119.26 116.27 2kbo h ALA 102 Ca 0.59 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2kbo h ALA 102 Cb 2.86 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 20.59 2kbo h ALA 102 CO -0.01 -0.03 -0.53 1.96 0.00 0.00 0.00 179.25 180.64 2kbo h GLN 103 N -0.36 -0.66 -0.42 0.00 4.20 0.48 0.80 115.11 119.16 2kbo h GLN 103 Ca -0.00 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.79 2kbo h GLN 103 Cb 0.73 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.61 2kbo h GLN 103 CO 0.03 -0.44 -0.25 0.39 -0.67 0.00 0.00 178.83 177.89 2kbo n GLU 104 N -5.47 -0.18 0.13 1.46 -0.58 -0.91 0.31 120.64 115.40 2kbo n GLU 104 Ca -0.07 0.95 -0.08 0.00 -0.42 0.00 0.00 57.16 57.53 2kbo n GLU 104 Cb 0.40 -1.40 -0.04 0.00 -0.57 0.00 0.00 31.44 29.82 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 -0.43 -0.57 3.49 4.05 -1.20 -2.86 114.93 117.41 2kbo h MET 105 Ca 0.07 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.57 2kbo h MET 105 Cb 0.17 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 31.00 2kbo h MET 105 CO -0.39 -0.28 -0.34 0.00 0.23 0.00 0.00 176.91 176.13 2kbo n ALA 106 N -2.50 -0.36 -0.09 0.39 0.00 0.27 -0.37 120.51 117.85 2kbo n ALA 106 Ca -0.05 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2kbo n ALA 106 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -4.72 0.00 -0.30 0.00 5.02 0.15 0.36 118.16 118.67 2kbo n LYS 107 Ca 0.01 0.89 0.31 0.00 -2.02 0.00 0.00 58.31 57.50 2kbo n LYS 107 Cb 0.15 -1.45 0.48 0.00 -0.02 0.00 0.00 35.03 34.18 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 -2.70 0.00 -0.06 2.13 3.01 0.50 0.30 117.46 120.65 2kbo n PHE 108 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 2kbo n PHE 108 Cb 0.00 -0.29 -0.15 0.00 -0.01 0.00 0.00 39.48 39.03 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 -3.25 1.17 0.04 4.37 -0.00 0.73 -3.35 119.36 119.08 2kbo n ILE 109 Ca 0.26 -0.77 0.05 0.00 -0.00 0.00 0.00 62.75 62.28 2kbo n ILE 109 Cb 1.53 -0.49 -0.07 0.00 -0.00 0.00 0.00 39.64 40.61 2kbo n ILE 109 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2kbo n SER 110 N -2.72 0.71 0.08 4.38 3.41 1.14 -3.41 113.62 117.21 2kbo n SER 110 Ca -0.24 0.30 -0.17 0.00 -0.26 0.00 0.00 58.87 58.50 2kbo n SER 110 Cb 1.01 0.51 -0.14 0.00 -0.26 0.00 0.00 64.21 65.33 2kbo n SER 110 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2kbo h LYS 111 N 0.00 0.28 -2.66 4.33 1.79 0.22 -3.41 116.57 117.12 2kbo h LYS 111 Ca -0.11 -0.48 -0.60 0.00 -2.18 0.00 0.00 60.65 57.28 2kbo h LYS 111 Cb 1.36 0.18 -0.39 0.00 -1.58 0.00 0.00 32.23 31.79 2kbo h LYS 111 CO 0.02 1.17 -0.83 -0.80 -1.08 0.00 0.00 179.45 177.93 2kbo s ASN 112 N -7.07 2.76 0.00 0.86 -0.87 -1.21 -4.95 114.94 104.45 2kbo s ASN 112 Ca -0.08 -2.94 0.00 0.00 -1.57 0.00 0.00 52.86 48.27 2kbo s ASN 112 Cb 0.07 -0.76 0.00 0.00 -0.02 0.00 0.00 41.25 40.54 2kbo s ASN 112 CO 0.87 -0.20 0.40 0.29 -2.57 0.00 0.00 177.10 175.88 2kbo n LYS 113 N 3.07 0.00 0.00 -0.60 4.01 -1.22 -3.10 118.16 120.32 2kbo n LYS 113 Ca 0.20 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 2kbo n LYS 113 Cb 0.41 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 2kbo n LYS 113 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2kbo n HIS 114 N -0.90 0.00 -4.23 2.13 -0.00 -1.26 -4.68 115.22 106.29 2kbo n HIS 114 Ca 0.00 -0.28 -0.17 0.00 0.46 0.00 0.00 57.72 57.73 2kbo n HIS 114 Cb 0.00 -0.18 -0.13 0.00 -0.12 0.00 0.00 29.99 29.56 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 0.40 0.74 -0.30 3.57 1.01 -1.18 -4.44 120.40 120.19 2kbo s VAL 115 Ca 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2kbo s VAL 115 Cb 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.79 2kbo s VAL 115 CO 0.00 -0.06 0.13 -0.44 0.00 0.00 0.00 175.10 174.73 2kbo s SER 116 N -0.92 3.64 0.21 3.32 0.01 -1.23 -4.99 113.70 113.75 2kbo s SER 116 Ca -0.01 -1.42 0.07 0.00 1.31 0.00 0.00 55.95 55.90 2kbo s SER 116 Cb -0.07 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 2kbo s SER 116 CO 0.00 -0.43 0.06 -0.76 0.41 0.00 0.00 173.24 172.52 2kbo s LEU 117 N 1.93 3.46 -0.31 2.44 1.02 -1.26 0.77 118.68 126.74 2kbo s LEU 117 Ca 0.10 -0.38 -0.03 0.00 0.02 0.00 0.00 54.13 53.84 2kbo s LEU 117 Cb -0.17 -2.05 0.11 0.00 0.02 0.00 0.00 46.19 44.10 2kbo s LEU 117 CO -0.33 0.04 0.15 0.00 0.02 0.00 0.00 176.35 176.24 2kbo s ILE 119 N 1.80 5.01 -0.41 0.00 1.01 0.11 -2.13 121.20 126.60 2kbo s ILE 119 Ca 0.12 1.45 -0.05 0.00 0.00 0.00 0.00 60.65 62.16 2kbo s ILE 119 Cb -0.18 -4.05 0.10 0.00 0.01 0.00 0.00 42.46 38.34 2kbo s ILE 119 CO -0.26 0.20 0.23 -0.36 0.00 0.00 0.00 174.94 174.74 2kbo s PHE 120 N 1.16 3.47 0.07 3.97 0.08 0.49 -0.38 117.98 126.84 2kbo s PHE 120 Ca 0.37 -2.07 0.09 0.00 0.12 0.00 0.00 56.93 55.43 2kbo s PHE 120 Cb -0.17 -3.12 -0.03 0.00 -0.57 0.00 0.00 43.02 39.12 2kbo s PHE 120 CO 0.16 -0.94 -0.22 -0.08 -0.10 0.00 0.00 175.22 174.04 2kbo s THR 121 N 1.26 2.50 -0.19 0.64 -1.32 -0.64 -2.06 115.64 115.83 2kbo s THR 121 Ca 0.05 -1.40 -0.15 0.00 -1.21 0.00 0.00 61.69 58.98 2kbo s THR 121 Cb -0.23 -2.05 -0.08 0.00 -1.51 0.00 0.00 72.50 68.63 2kbo s THR 121 CO -0.02 0.27 -0.20 0.00 -2.21 0.00 0.00 174.62 172.46 2kbo n ALA 122 N 1.39 0.75 -3.52 11.08 0.00 -0.60 0.14 120.51 129.76 2kbo n ALA 122 Ca -0.17 -0.66 -0.17 0.00 0.00 0.00 0.00 53.44 52.44 2kbo n ALA 122 Cb 0.52 -0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.51 0.99 -0.02 0.00 1.70 0.65 -4.47 118.95 115.29 2kbo s ARG 123 Ca -0.25 0.35 0.02 0.00 -0.47 0.00 0.00 55.73 55.38 2kbo s ARG 123 Cb 0.05 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 2kbo s ARG 123 CO 0.39 -0.28 -0.08 0.96 -1.08 0.00 0.00 175.30 175.20 2kbo s ILE 124 N -0.94 0.70 -0.21 4.99 -4.36 -1.26 -4.33 121.20 115.78 2kbo s ILE 124 Ca -0.09 -0.32 -0.03 0.00 -0.26 0.00 0.00 60.65 59.95 2kbo s ILE 124 Cb -0.01 -0.62 0.07 0.00 1.25 0.00 0.00 42.46 43.14 2kbo s ILE 124 CO 0.08 0.22 0.05 -0.31 0.24 0.00 0.00 174.94 175.22 2kbo s TYR 125 N 0.16 1.01 0.28 1.37 2.02 -1.26 -4.71 117.35 116.22 2kbo s TYR 125 Ca -0.02 -0.93 0.04 0.00 -0.37 0.00 0.00 57.07 55.78 2kbo s TYR 125 Cb -0.08 -1.08 -0.03 0.00 -0.40 0.00 0.00 41.96 40.37 2kbo s TYR 125 CO 0.00 -0.65 0.21 -0.51 -1.57 0.00 0.00 175.55 173.03 2kbo s ASP 126 N 1.86 1.11 -0.33 2.29 1.11 -1.26 -5.07 116.67 116.38 2kbo s ASP 126 Ca 0.01 -1.61 0.06 0.00 0.18 0.00 0.00 52.55 51.20 2kbo s ASP 126 Cb -0.17 0.48 0.46 0.00 1.07 0.00 0.00 42.92 44.76 2kbo s ASP 126 CO -0.12 -0.97 1.31 0.47 1.18 0.00 0.00 175.17 177.04 2kbo n ASP 127 N -1.02 5.00 0.00 0.27 9.92 -1.26 -4.87 116.55 124.58 2kbo n ASP 127 Ca 0.05 -3.77 0.00 0.00 -0.53 0.00 0.00 54.79 50.54 2kbo n ASP 127 Cb 0.64 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 2kbo n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kbo n GLN 128 N -0.78 0.00 0.00 -1.24 1.13 -1.26 -5.04 117.38 110.20 2kbo n GLN 128 Ca 0.45 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 2kbo n GLN 128 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.27 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 3.06 2.17 0.00 1.08 0.00 -1.26 -4.74 105.19 105.51 2kbo n GLY 129 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.00 1.61 1.74 -1.26 -2.77 116.66 115.98 2kbo n ARG 130 Ca 0.00 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2kbo n ARG 130 Cb 0.00 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 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 -1.15 0.06 0.00 0.00 -0.00 -1.11 -3.18 117.38 111.99 2kbo n GLN 132 Ca 0.00 0.53 0.00 0.00 -0.00 0.00 0.00 57.00 57.53 2kbo n GLN 132 Cb 0.14 -1.74 0.00 0.00 -0.00 0.00 0.00 30.24 28.64 2kbo n GLN 132 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2kbo n GLU 133 N -1.80 0.00 0.08 2.61 0.28 -0.80 -1.64 120.64 119.38 2kbo n GLU 133 Ca -0.01 0.57 -0.13 0.00 -0.16 0.00 0.00 57.16 57.44 2kbo n GLU 133 Cb 0.06 -1.46 -0.09 0.00 1.43 0.00 0.00 31.44 31.39 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 -0.22 -0.44 -1.84 0.00 -1.42 -2.50 103.07 96.65 2kbo h GLY 134 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.45 2kbo h GLY 134 CO 0.00 -0.08 -0.26 -0.10 0.00 0.00 0.00 176.54 176.10 2kbo n LEU 135 N -5.02 -0.47 0.25 3.11 0.00 -1.19 0.18 117.00 113.87 2kbo n LEU 135 Ca -0.09 1.14 0.08 0.00 0.00 0.00 0.00 56.01 57.14 2kbo n LEU 135 Cb 0.23 -0.28 0.63 0.00 0.00 0.00 0.00 43.42 44.00 2kbo n LEU 135 CO 0.32 -0.82 1.04 -0.09 0.00 0.00 0.00 177.39 177.84 2kbo h ARG 136 N 0.00 0.00 0.06 1.96 1.12 -1.37 -1.25 114.38 114.90 2kbo h ARG 136 Ca 0.07 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.94 2kbo h ARG 136 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 2kbo h ARG 136 CO -0.42 0.04 -0.03 1.15 -3.11 0.00 0.00 179.97 177.60 2kbo h THR 137 N 0.00 1.12 0.00 0.20 2.02 0.24 -2.03 112.91 114.45 2kbo h THR 137 Ca -0.00 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 65.60 2kbo h THR 137 Cb 0.07 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2kbo h THR 137 CO 0.00 0.34 -0.11 0.17 0.37 0.00 0.00 175.52 176.29 2kbo h LEU 138 N -0.90 0.00 0.09 2.58 -0.00 0.19 1.87 115.31 119.13 2kbo h LEU 138 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.59 2kbo h LEU 138 Cb 0.61 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.29 2kbo h LEU 138 CO 0.01 0.11 -1.23 0.00 -0.00 0.00 0.00 178.44 177.33 2kbo h ALA 139 N 1.89 0.09 0.07 0.17 0.00 -1.31 0.24 119.26 120.41 2kbo h ALA 139 Ca -0.00 -0.83 -0.36 0.00 0.00 0.00 0.00 54.91 53.72 2kbo h ALA 139 Cb 0.60 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2kbo h ALA 139 CO 0.01 0.85 -2.09 0.39 0.00 0.00 0.00 179.25 178.41 2kbo n GLU 140 N -3.65 0.71 0.10 0.00 -0.58 -0.76 -3.83 120.64 112.62 2kbo n GLU 140 Ca -0.10 0.22 0.20 0.00 -0.42 0.00 0.00 57.16 57.06 2kbo n GLU 140 Cb 1.00 -1.67 0.76 0.00 -0.57 0.00 0.00 31.44 30.96 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 0.28 2.12 0.00 0.62 0.00 0.28 -3.43 119.26 119.13 2kbo h ALA 141 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kbo h ALA 141 Cb 2.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2kbo h ALA 141 CO 0.04 -0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.11 2kbo n GLY 142 N -1.49 0.03 3.60 0.00 0.00 -1.23 -4.37 105.19 101.72 2kbo n GLY 142 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2kbo n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbo s ALA 143 N 0.00 3.53 -0.52 4.61 0.00 0.84 -4.43 121.76 125.79 2kbo s ALA 143 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 2kbo s ALA 143 Cb 0.00 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 20.07 2kbo s ALA 143 CO 0.00 -1.06 1.22 0.15 0.00 0.00 0.00 175.76 176.07 2kbo s LYS 144 N 2.56 3.58 0.09 0.00 1.02 -0.87 -4.11 119.74 122.02 2kbo s LYS 144 Ca 0.24 0.48 -0.05 0.00 0.02 0.00 0.00 55.97 56.66 2kbo s LYS 144 Cb -0.15 -3.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.12 2kbo s LYS 144 CO 0.12 -1.58 0.33 0.42 -0.92 0.00 0.00 175.35 173.72 2kbo s ILE 145 N 4.94 5.22 -0.02 2.17 -1.09 -1.26 0.07 121.20 131.23 2kbo s ILE 145 Ca 0.48 0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.94 2kbo s ILE 145 Cb -0.08 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2kbo s ILE 145 CO 0.29 0.15 0.05 -0.94 -1.23 0.00 0.00 174.94 173.26 2kbo s SER 146 N -2.21 -0.00 -0.59 3.58 1.04 0.48 -4.90 113.70 111.10 2kbo s SER 146 Ca 0.36 0.08 -0.24 0.00 0.48 0.00 0.00 55.95 56.64 2kbo s SER 146 Cb -0.13 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.07 2kbo s SER 146 CO 0.23 -0.08 0.96 -0.63 0.98 0.00 0.00 173.24 174.69 2kbo s ILE 147 N 0.60 4.35 -0.80 -1.02 1.09 -1.26 -1.62 121.20 122.55 2kbo s ILE 147 Ca -0.05 0.11 -0.25 0.00 -1.10 0.00 0.00 60.65 59.36 2kbo s ILE 147 Cb -0.07 -4.59 -0.08 0.00 -1.06 0.00 0.00 42.46 36.67 2kbo s ILE 147 CO -0.02 -1.23 2.13 -0.32 -0.10 0.00 0.00 174.94 175.40 2kbo s MET 148 N 4.03 2.20 0.64 2.79 1.75 0.38 -4.90 119.30 126.19 2kbo s MET 148 Ca 0.28 0.22 0.03 0.00 -1.25 0.00 0.00 55.69 54.97 2kbo s MET 148 Cb -0.14 -4.85 0.10 0.00 2.84 0.00 0.00 34.83 32.78 2kbo s MET 148 CO 0.17 -3.66 0.88 0.95 -0.65 0.00 0.00 175.02 172.71 2kbo s THR 149 N 11.74 2.27 0.11 10.11 -4.23 -1.26 -4.57 115.64 129.80 2kbo s THR 149 Ca 0.80 -0.74 -0.15 0.00 -1.18 0.00 0.00 61.69 60.42 2kbo s THR 149 Cb -0.10 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.24 2kbo s THR 149 CO 0.07 0.00 0.89 0.00 -0.54 0.00 0.00 174.62 175.04 2kbo n TYR 150 N -2.54 -0.14 0.02 3.99 4.11 -1.26 0.17 117.16 121.51 2kbo n TYR 150 Ca 0.14 0.72 -0.02 0.00 -0.00 0.00 0.00 57.90 58.73 2kbo n TYR 150 Cb 0.61 -0.62 -0.01 0.00 -0.00 0.00 0.00 39.34 39.31 2kbo n TYR 150 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.86 177.63 2kbo h SER 151 N 0.00 -0.23 -0.47 9.48 0.02 -1.97 -0.94 113.55 119.44 2kbo h SER 151 Ca 0.14 0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.25 2kbo h SER 151 Cb 0.28 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2kbo h SER 151 CO -0.56 -0.08 0.38 -0.33 -1.14 0.00 0.00 176.83 175.10 2kbo h GLU 152 N -0.11 0.00 0.24 3.45 3.07 -1.33 -2.42 114.58 117.46 2kbo h GLU 152 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2kbo h GLU 152 Cb 0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2kbo h GLU 152 CO -0.04 0.00 -0.18 0.35 -1.40 0.00 0.00 179.01 177.74 2kbo h PHE 153 N 0.00 -0.48 -1.13 4.33 3.04 0.30 1.01 116.94 124.02 2kbo h PHE 153 Ca 0.22 -0.00 0.32 0.00 3.98 0.00 0.00 57.97 62.49 2kbo h PHE 153 Cb 0.98 0.18 -0.10 0.00 2.56 0.00 0.00 35.95 39.57 2kbo h PHE 153 CO 0.00 -0.25 0.73 0.87 -2.02 0.00 0.00 178.31 177.64 2kbo h LYS 154 N -0.40 0.27 0.00 1.11 1.57 -0.79 3.03 116.57 121.36 2kbo h LYS 154 Ca -0.03 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2kbo h LYS 154 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2kbo h LYS 154 CO 0.01 0.18 -0.17 1.25 -0.57 0.00 0.00 179.45 180.15 2kbo h HIS 155 N 0.28 0.00 -0.21 -1.35 2.76 -1.09 -2.41 115.15 113.14 2kbo h HIS 155 Ca 0.66 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.62 2kbo h HIS 155 Cb 1.85 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.82 2kbo h HIS 155 CO -0.00 0.17 -0.68 0.00 -1.30 0.00 0.00 177.93 176.11 2kbo h TRP 157 N 0.59 0.70 -0.36 0.00 0.09 -1.37 0.45 115.95 116.04 2kbo h TRP 157 Ca -0.03 -0.51 0.10 0.00 0.09 0.00 0.00 58.89 58.55 2kbo h TRP 157 Cb 1.30 -0.03 -0.01 0.00 0.08 0.00 0.00 29.16 30.50 2kbo h TRP 157 CO 0.08 1.52 0.37 0.22 0.09 0.00 0.00 178.44 180.72 2kbo h ASP 158 N 0.10 0.00 0.04 0.11 1.82 -1.50 1.67 116.42 118.66 2kbo h ASP 158 Ca -0.27 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.00 2kbo h ASP 158 Cb 2.08 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 42.05 2kbo h ASP 158 CO 0.20 0.00 -2.12 0.41 -1.61 0.00 0.00 179.24 176.13 2kbo n THR 159 N -3.81 1.59 0.06 2.25 -1.04 -0.90 -4.09 114.28 108.36 2kbo n THR 159 Ca 0.06 -0.45 -0.22 0.00 -2.04 0.00 0.00 64.05 61.40 2kbo n THR 159 Cb 0.54 -1.74 -0.15 0.00 -1.82 0.00 0.00 70.33 67.16 2kbo n THR 159 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2kbo h PHE 160 N -0.40 0.64 -3.92 -1.42 3.57 -0.17 -3.46 116.94 111.77 2kbo h PHE 160 Ca -0.52 -0.47 -0.47 0.00 3.53 0.00 0.00 57.97 60.05 2kbo h PHE 160 Cb 1.76 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.46 2kbo h PHE 160 CO 0.03 1.52 0.36 0.08 -2.23 0.00 0.00 178.31 178.07 2kbo s VAL 161 N -2.51 4.16 0.00 1.41 1.01 0.56 -4.89 120.40 120.14 2kbo s VAL 161 Ca -0.15 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2kbo s VAL 161 Cb 0.04 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2kbo s VAL 161 CO 0.84 0.05 0.46 -0.67 0.00 0.00 0.00 175.10 175.78 2kbo n ASP 162 N 0.28 1.37 -3.54 3.32 -0.08 -1.26 -4.40 116.55 112.24 2kbo n ASP 162 Ca 0.03 -0.92 -0.09 0.00 -1.51 0.00 0.00 54.79 52.31 2kbo n ASP 162 Cb 0.51 -0.24 -0.09 0.00 2.34 0.00 0.00 41.12 43.64 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 0.60 -0.81 -1.22 -0.67 0.09 -1.26 -4.99 115.29 107.03 2kbo s HIS 163 Ca 0.00 1.27 0.00 0.00 -0.00 0.00 0.00 55.06 56.33 2kbo s HIS 163 Cb 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 32.58 32.78 2kbo s HIS 163 CO 0.00 -0.57 0.49 1.04 -0.00 0.00 0.00 174.74 175.70 2kbo n GLN 164 N 5.38 0.00 -2.69 1.40 6.02 -1.26 -2.58 117.38 123.66 2kbo n GLN 164 Ca -0.07 0.10 -0.06 0.00 -0.01 0.00 0.00 57.00 56.96 2kbo n GLN 164 Cb 0.50 -1.54 0.08 0.00 1.02 0.00 0.00 30.24 30.30 2kbo n GLN 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kbo n GLY 165 N -0.99 -0.13 3.70 1.08 0.00 -1.26 -4.45 105.19 103.15 2kbo n GLY 165 Ca 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 0.37 0.01 -4.29 0.00 -0.02 -1.26 -4.79 135.00 125.02 2kbo n PRO 167 Ca 0.05 -0.19 -0.21 0.00 -2.02 0.00 0.00 63.50 61.14 2kbo n PRO 167 Cb 0.37 -1.31 -0.11 0.00 -0.02 0.00 0.00 33.50 32.43 2kbo n PRO 167 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2kbo s PHE 168 N 2.60 1.64 0.08 6.00 2.19 -1.26 -5.16 117.98 124.08 2kbo s PHE 168 Ca 0.10 -0.49 -0.09 0.00 0.33 0.00 0.00 56.93 56.77 2kbo s PHE 168 Cb 0.00 -0.85 0.00 0.00 -1.31 0.00 0.00 43.02 40.87 2kbo s PHE 168 CO 0.03 0.24 0.21 -0.65 1.83 0.00 0.00 175.22 176.87 2kbo s GLN 169 N -2.60 0.82 0.02 10.12 -0.21 -1.26 -5.12 119.66 121.43 2kbo s GLN 169 Ca 0.11 -0.86 -0.24 0.00 0.02 0.00 0.00 55.36 54.40 2kbo s GLN 169 Cb -0.06 0.34 -0.05 0.00 1.00 0.00 0.00 33.01 34.24 2kbo s GLN 169 CO 0.05 -0.26 0.73 -1.25 -2.12 0.00 0.00 175.29 172.44 2kbo s PRO 170 N -3.53 4.46 0.13 2.91 0.04 -1.26 -5.08 135.00 132.67 2kbo s PRO 170 Ca 0.02 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.09 2kbo s PRO 170 Cb 0.03 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2kbo s PRO 170 CO -0.09 0.27 0.14 1.67 0.04 0.00 0.00 177.00 179.02 2kbo s TRP 171 N 0.03 3.21 0.00 0.56 -2.14 -1.26 -4.97 118.94 114.37 2kbo s TRP 171 Ca 0.37 0.03 0.00 0.00 2.66 0.00 0.00 56.10 59.16 2kbo s TRP 171 Cb -0.20 -1.57 0.00 0.00 -3.10 0.00 0.00 33.47 28.61 2kbo s TRP 171 CO 0.21 0.52 0.68 -3.47 -2.66 0.00 0.00 176.95 172.23 2kbo n ASP 172 N -0.11 1.84 0.00 -2.66 -0.08 -1.26 -2.17 116.55 112.11 2kbo n ASP 172 Ca -0.08 -1.36 0.00 0.00 -1.51 0.00 0.00 54.79 51.83 2kbo n ASP 172 Cb 0.54 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.62 2kbo n ASP 172 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kbo n GLY 173 N 1.58 0.00 0.54 0.27 0.00 -1.26 -4.67 105.19 101.66 2kbo n GLY 173 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.91 0.00 0.16 0.99 4.77 -0.92 0.27 117.00 120.36 2kbo n LEU 174 Ca 0.00 0.77 -0.06 0.00 -0.03 0.00 0.00 56.01 56.69 2kbo n LEU 174 Cb 0.41 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2kbo n LEU 174 CO 0.00 -0.77 0.47 -2.24 -1.33 0.00 0.00 177.39 173.52 2kbo h ASP 175 N 0.00 -0.34 -0.70 -1.43 2.03 -1.83 0.59 116.42 114.73 2kbo h ASP 175 Ca 0.61 0.01 0.15 0.00 -0.73 0.00 0.00 57.03 57.08 2kbo h ASP 175 Cb 2.95 0.09 -0.11 0.00 -0.83 0.00 0.00 39.33 41.43 2kbo h ASP 175 CO -0.01 -0.23 0.08 -0.08 -1.03 0.00 0.00 179.24 177.98 2kbo h GLU 176 N -0.43 0.18 0.00 4.15 4.81 -0.50 0.44 114.58 123.22 2kbo h GLU 176 Ca -0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2kbo h GLU 176 Cb 0.31 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2kbo h GLU 176 CO 0.07 0.12 0.00 0.72 -0.73 0.00 0.00 179.01 179.18 2kbo n HIS 177 N -5.24 0.00 -0.27 0.92 8.25 -0.89 -2.15 115.22 115.84 2kbo n HIS 177 Ca 0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.46 2kbo n HIS 177 Cb 0.43 -0.41 -0.10 0.00 1.12 0.00 0.00 29.99 31.03 2kbo n HIS 177 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2kbo h SER 178 N 0.00 -2.00 -0.86 0.41 0.87 0.43 0.49 113.55 112.88 2kbo h SER 178 Ca 0.00 0.28 0.14 0.00 -1.23 0.00 0.00 61.79 60.98 2kbo h SER 178 Cb 0.00 0.85 -0.14 0.00 -0.44 0.00 0.00 62.40 62.67 2kbo h SER 178 CO 0.00 -0.32 -0.33 1.67 -0.53 0.00 0.00 176.83 177.32 2kbo n GLN 179 N -5.30 -0.19 0.29 2.24 7.27 0.15 0.51 117.38 122.35 2kbo n GLN 179 Ca -0.01 1.33 -0.17 0.00 0.07 0.00 0.00 57.00 58.22 2kbo n GLN 179 Cb 0.30 -1.97 -0.09 0.00 2.41 0.00 0.00 30.24 30.89 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 -1.28 0.50 1.69 3.58 -0.39 0.35 116.42 120.87 2kbo h ASP 180 Ca 0.31 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 2kbo h ASP 180 Cb 0.52 0.42 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 2kbo h ASP 180 CO -0.86 -0.63 -0.40 0.25 -2.88 0.00 0.00 179.24 174.72 2kbo h LEU 181 N -0.96 -1.06 0.01 2.28 6.46 -0.40 -2.16 115.31 119.50 2kbo h LEU 181 Ca -0.06 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2kbo h LEU 181 Cb 0.82 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 2kbo h LEU 181 CO -0.04 -0.58 -0.07 0.77 -0.62 0.00 0.00 178.44 177.89 2kbo h SER 182 N -0.89 -0.22 -1.48 1.25 4.64 0.10 0.50 113.55 117.46 2kbo h SER 182 Ca -0.05 0.02 0.48 0.00 -0.47 0.00 0.00 61.79 61.76 2kbo h SER 182 Cb 0.76 0.08 -0.11 0.00 -0.31 0.00 0.00 62.40 62.82 2kbo h SER 182 CO -0.00 -0.08 1.00 0.61 -0.87 0.00 0.00 176.83 177.49 2kbo n GLY 183 N -1.07 -0.83 0.00 -0.77 0.00 0.12 -0.40 105.19 102.25 2kbo n GLY 183 Ca -0.01 0.68 -0.00 0.00 0.00 0.00 0.00 46.02 46.69 2kbo n GLY 183 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kbo h ARG 184 N 0.00 -0.00 -0.92 1.61 2.47 -0.33 -1.46 114.38 115.74 2kbo h ARG 184 Ca 0.84 0.00 0.36 0.00 -1.26 0.00 0.00 59.98 59.92 2kbo h ARG 184 Cb 2.95 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 31.10 2kbo h ARG 184 CO -0.28 -0.00 0.39 -0.11 0.56 0.00 0.00 179.97 180.53 2kbo n LEU 185 N -2.15 0.23 0.25 3.04 7.94 0.16 0.19 117.00 126.65 2kbo n LEU 185 Ca -0.00 1.54 -0.10 0.00 -1.11 0.00 0.00 56.01 56.34 2kbo n LEU 185 Cb 0.00 -0.71 -0.05 0.00 0.53 0.00 0.00 43.42 43.20 2kbo n LEU 185 CO 0.00 -1.69 0.52 0.03 -1.11 0.00 0.00 177.39 175.14 2kbo h ARG 186 N 0.00 -0.61 -0.50 1.96 -0.00 -0.84 -2.25 114.38 112.14 2kbo h ARG 186 Ca 0.73 0.04 0.05 0.00 -0.50 0.00 0.00 59.98 60.31 2kbo h ARG 186 Cb 1.87 0.14 -0.08 0.00 0.00 0.00 0.00 29.97 31.90 2kbo h ARG 186 CO -0.75 -0.40 -0.46 0.00 0.00 0.00 0.00 179.97 178.36 2kbo h ALA 187 N -1.71 -0.60 -1.00 0.04 0.00 0.31 1.46 119.26 117.76 2kbo h ALA 187 Ca -0.06 0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.08 2kbo h ALA 187 Cb 0.48 1.14 -0.11 0.00 0.00 0.00 0.00 17.79 19.31 2kbo h ALA 187 CO 0.11 -0.86 0.61 -0.84 0.00 0.00 0.00 179.25 178.27 2kbo h ILE 188 N -0.20 0.67 0.15 0.00 -0.00 -0.02 0.87 117.51 118.97 2kbo h ILE 188 Ca 0.08 -0.24 -0.01 0.00 -0.00 0.00 0.00 64.86 64.70 2kbo h ILE 188 Cb 0.42 -0.09 0.00 0.00 -0.00 0.00 0.00 36.82 37.16 2kbo h ILE 188 CO -0.58 0.13 -0.07 0.25 -0.00 0.00 0.00 178.15 177.88 2kbo h LEU 189 N 0.70 -0.17 -0.72 0.16 5.85 -0.35 -3.23 115.31 117.55 2kbo h LEU 189 Ca 0.58 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.12 2kbo h LEU 189 Cb 1.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2kbo h LEU 189 CO -0.38 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 2kbo n GLN 190 N -4.89 0.21 -3.24 1.25 6.02 0.48 -4.77 117.38 112.44 2kbo n GLN 190 Ca -0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.81 2kbo n GLN 190 Cb 0.17 -1.08 -0.04 0.00 1.02 0.00 0.00 30.24 30.31 2kbo n GLN 190 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2kbo n ASN 191 N 0.14 0.34 -4.51 1.08 6.94 0.25 -4.51 115.26 114.99 2kbo n ASN 191 Ca 0.00 -0.54 -0.35 0.00 -0.02 0.00 0.00 54.58 53.67 2kbo n ASN 191 Cb 0.04 -0.67 -0.14 0.00 -2.36 0.00 0.00 39.78 36.64 2kbo n ASN 191 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2kbo n GLN 192 N -2.49 0.20 -0.39 -3.83 0.00 -0.90 -4.85 117.38 105.12 2kbo n GLN 192 Ca -0.13 -0.05 -0.09 0.00 -0.00 0.00 0.00 57.00 56.73 2kbo n GLN 192 Cb 0.29 -1.84 0.09 0.00 0.00 0.00 0.00 30.24 28.78 2kbo n GLN 192 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2kbo n GLU 193 N 7.97 -0.46 0.00 3.69 1.02 -1.26 -5.04 120.64 126.56 2kbo n GLU 193 Ca 0.61 -0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2kbo n GLU 193 Cb 0.16 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 2kbo n GLU 193 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58