#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 0.00 -2.03 -0.41 1.56 -1.26 -5.11 117.12 109.87 2kbo n MET 2 Ca 0.00 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.02 2kbo n MET 2 Cb 0.00 -0.01 -0.02 0.00 2.15 0.00 0.00 33.22 35.34 2kbo n MET 2 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2kbo s LEU 3 N -4.89 4.39 0.00 -0.89 1.43 -1.26 -4.76 118.68 112.69 2kbo s LEU 3 Ca 0.00 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 2kbo s LEU 3 Cb 0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2kbo s LEU 3 CO 0.00 -0.68 0.00 0.54 0.23 0.00 0.00 176.35 176.44 2kbo n ARG 4 N 2.17 -1.63 -3.37 1.70 5.12 -1.26 -4.57 116.66 114.82 2kbo n ARG 4 Ca 0.06 1.07 -0.13 0.00 -1.93 0.00 0.00 57.85 56.93 2kbo n ARG 4 Cb 0.41 -1.99 -0.05 0.00 -1.16 0.00 0.00 32.46 29.67 2kbo n ARG 4 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2kbo n HIS 5 N -2.88 -0.31 0.00 -1.55 1.44 -1.26 -5.01 115.22 105.65 2kbo n HIS 5 Ca 0.01 -1.65 0.00 0.00 -2.01 0.00 0.00 57.72 54.07 2kbo n HIS 5 Cb 0.37 0.12 0.00 0.00 0.12 0.00 0.00 29.99 30.60 2kbo n HIS 5 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2kbo n SER 6 N -2.08 0.00 -3.21 4.39 7.64 -1.26 -4.33 113.62 114.78 2kbo n SER 6 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2kbo n SER 6 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2kbo n SER 6 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2kbo n MET 7 N 0.00 -0.27 -3.91 1.43 2.00 -1.26 -4.92 117.12 110.19 2kbo n MET 7 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 2kbo n MET 7 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 2kbo n MET 7 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2kbo s ASP 8 N -1.94 5.45 0.98 7.83 -4.77 -1.26 -5.00 116.67 117.96 2kbo s ASP 8 Ca 0.00 -0.37 -0.18 0.00 -3.30 0.00 0.00 52.55 48.70 2kbo s ASP 8 Cb 0.00 -1.18 0.02 0.00 -1.09 0.00 0.00 42.92 40.67 2kbo s ASP 8 CO 0.00 -0.23 -0.41 -2.65 0.70 0.00 0.00 175.17 172.58 2kbo n PRO 9 N -1.32 -1.10 -0.34 2.11 -0.01 -1.26 -3.82 135.00 129.26 2kbo n PRO 9 Ca -0.04 -0.32 0.00 0.00 -0.01 0.00 0.00 63.50 63.13 2kbo n PRO 9 Cb 0.59 -1.34 0.00 0.00 -0.01 0.00 0.00 33.50 32.74 2kbo n PRO 9 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 2kbo n PRO 10 N -0.08 0.00 -0.01 0.52 -0.02 -1.26 -4.48 135.00 129.67 2kbo n PRO 10 Ca 0.01 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.43 2kbo n PRO 10 Cb 0.52 -0.35 -0.12 0.00 -0.02 0.00 0.00 33.50 33.53 2kbo n PRO 10 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2kbo n THR 11 N 1.21 1.45 -0.01 3.45 5.66 -1.25 -4.18 114.28 120.62 2kbo n THR 11 Ca 0.00 -0.76 -0.11 0.00 -3.05 0.00 0.00 64.05 60.13 2kbo n THR 11 Cb 0.08 -0.92 -0.05 0.00 -1.55 0.00 0.00 70.33 67.89 2kbo n THR 11 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 2kbo h PHE 12 N 0.00 0.14 -1.04 1.09 3.57 -1.88 -2.16 116.94 116.66 2kbo h PHE 12 Ca -0.25 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.55 2kbo h PHE 12 Cb 1.87 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.52 2kbo h PHE 12 CO 0.00 0.11 1.18 2.41 -2.23 0.00 0.00 178.31 179.78 2kbo n THR 13 N -5.00 0.00 -0.46 4.41 -1.04 -1.26 -1.37 114.28 109.56 2kbo n THR 13 Ca -0.05 1.22 0.35 0.00 -2.04 0.00 0.00 64.05 63.53 2kbo n THR 13 Cb 0.04 -2.17 0.54 0.00 -1.82 0.00 0.00 70.33 66.92 2kbo n THR 13 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2kbo n PHE 14 N -3.19 0.00 -0.31 -1.42 3.01 -0.81 0.61 117.46 115.35 2kbo n PHE 14 Ca 0.23 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.82 2kbo n PHE 14 Cb 1.50 -0.33 0.28 0.00 -0.01 0.00 0.00 39.48 40.92 2kbo n PHE 14 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 2kbo h ASN 15 N 0.00 -0.20 0.00 4.37 -1.07 -1.49 0.52 115.58 117.71 2kbo h ASN 15 Ca 0.62 0.23 -0.01 0.00 0.07 0.00 0.00 56.30 57.21 2kbo h ASN 15 Cb 2.59 0.35 -0.00 0.00 -2.07 0.00 0.00 38.32 39.18 2kbo h ASN 15 CO -0.01 -0.24 -0.01 0.33 0.07 0.00 0.00 177.43 177.57 2kbo n PHE 16 N -5.33 0.00 -1.72 4.14 7.35 0.20 -4.90 117.46 117.19 2kbo n PHE 16 Ca 0.21 -0.85 -0.38 0.00 -0.76 0.00 0.00 57.45 55.68 2kbo n PHE 16 Cb 0.70 -0.50 0.05 0.00 0.35 0.00 0.00 39.48 40.08 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 1.64 2.25 0.00 -2.13 4.05 0.18 -4.93 115.26 116.32 2kbo n ASN 17 Ca 0.02 0.90 0.00 0.00 0.45 0.00 0.00 54.58 55.95 2kbo n ASN 17 Cb 0.43 -1.55 0.00 0.00 1.23 0.00 0.00 39.78 39.89 2kbo n ASN 17 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2kbo n ASN 18 N -1.32 2.57 -3.67 1.20 3.02 -1.26 -4.94 115.26 110.86 2kbo n ASN 18 Ca 0.13 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.40 2kbo n ASN 18 Cb 0.46 0.35 -0.11 0.00 -0.61 0.00 0.00 39.78 39.87 2kbo n ASN 18 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kbo s GLU 19 N -1.34 1.75 0.00 3.52 2.02 -1.26 -4.96 118.70 118.43 2kbo s GLU 19 Ca 0.00 -2.79 0.00 0.00 0.02 0.00 0.00 54.97 52.20 2kbo s GLU 19 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.72 2kbo s GLU 19 CO 0.00 -1.33 0.31 -2.30 0.02 0.00 0.00 175.26 171.95 2kbo n PRO 20 N 2.36 0.35 -2.84 0.39 -0.02 -1.26 -4.65 135.00 129.33 2kbo n PRO 20 Ca 0.24 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 2kbo n PRO 20 Cb 0.41 -1.29 -0.03 0.00 -0.02 0.00 0.00 33.50 32.57 2kbo n PRO 20 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2kbo s TRP 21 N 0.24 2.97 0.10 6.00 -0.11 -1.26 -4.81 118.94 122.07 2kbo s TRP 21 Ca 0.00 -1.22 -0.05 0.00 1.22 0.00 0.00 56.10 56.05 2kbo s TRP 21 Cb 0.00 -4.37 -0.19 0.00 -1.50 0.00 0.00 33.47 27.41 2kbo s TRP 21 CO 0.00 -1.59 1.22 0.28 -4.62 0.00 0.00 176.95 172.23 2kbo h VAL 22 N 6.04 1.44 -0.79 5.86 2.07 -1.92 -3.41 116.25 125.54 2kbo h VAL 22 Ca 0.14 -2.75 -0.34 0.00 0.82 0.00 0.00 66.70 64.57 2kbo h VAL 22 Cb 1.02 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 33.43 2kbo h VAL 22 CO 1.18 0.81 0.85 -0.60 0.02 0.00 0.00 177.57 179.83 2kbo s ARG 23 N -2.95 2.70 0.00 1.57 3.52 -1.26 -4.70 118.95 117.82 2kbo s ARG 23 Ca -0.05 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 2kbo s ARG 23 Cb 0.08 -5.09 0.00 0.00 -1.56 0.00 0.00 34.95 28.38 2kbo s ARG 23 CO 0.88 -3.21 0.00 0.41 -0.81 0.00 0.00 175.30 172.57 2kbo n GLY 24 N 6.84 -0.26 2.80 8.12 0.00 -1.26 -5.12 105.19 116.30 2kbo n GLY 24 Ca 0.39 -1.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 2kbo n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbo s ARG 25 N -2.00 -0.01 0.41 1.61 0.52 -1.26 -4.92 118.95 113.30 2kbo s ARG 25 Ca 0.00 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 2kbo s ARG 25 Cb 0.00 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.18 2kbo s ARG 25 CO 0.00 -0.22 0.00 0.72 0.02 0.00 0.00 175.30 175.82 2kbo n HIS 26 N 4.54 -4.04 -2.91 -0.53 -0.00 -1.19 -4.80 115.22 106.29 2kbo n HIS 26 Ca -0.20 1.25 -0.01 0.00 -0.00 0.00 0.00 57.72 58.77 2kbo n HIS 26 Cb 0.50 2.96 0.01 0.00 -0.00 0.00 0.00 29.99 33.46 2kbo n HIS 26 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2kbo s GLU 27 N -1.95 0.62 0.16 -0.41 -1.05 -0.62 -4.58 118.70 110.88 2kbo s GLU 27 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 2kbo s GLU 27 Cb 0.00 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 2kbo s GLU 27 CO 0.00 -0.84 0.00 2.41 0.95 0.00 0.00 175.26 177.78 2kbo n THR 28 N 3.62-11.22 -0.84 1.83 -1.04 -0.58 -4.85 114.28 101.20 2kbo n THR 28 Ca 0.11 2.84 0.00 0.00 -2.04 0.00 0.00 64.05 64.96 2kbo n THR 28 Cb 0.60 -4.69 0.00 0.00 -1.82 0.00 0.00 70.33 64.42 2kbo n THR 28 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2kbo n TYR 29 N 1.90 0.00 -3.88 -1.42 4.01 -1.26 -4.82 117.16 111.68 2kbo n TYR 29 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2kbo n TYR 29 Cb 0.00 0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 38.97 2kbo n TYR 29 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 2kbo s LEU 30 N 0.00 1.23 0.08 7.72 0.05 -1.26 -4.70 118.68 121.79 2kbo s LEU 30 Ca 0.00 -0.71 0.06 0.00 0.05 0.00 0.00 54.13 53.54 2kbo s LEU 30 Cb 0.00 1.12 -0.03 0.00 -2.05 0.00 0.00 46.19 45.23 2kbo s LEU 30 CO 0.00 -0.79 -0.17 0.00 -0.55 0.00 0.00 176.35 174.84 2kbo s TYR 32 N -1.14 0.02 -0.10 0.00 1.13 -1.13 -0.73 117.35 115.41 2kbo s TYR 32 Ca 0.02 0.16 0.03 0.00 -1.41 0.00 0.00 57.07 55.88 2kbo s TYR 32 Cb -0.10 -0.26 0.01 0.00 -1.10 0.00 0.00 41.96 40.51 2kbo s TYR 32 CO 0.03 -0.11 -0.20 -1.21 -2.51 0.00 0.00 175.55 171.55 2kbo s GLU 33 N 1.23 2.63 0.03 -3.49 2.02 0.26 -2.83 118.70 118.55 2kbo s GLU 33 Ca -0.07 -0.73 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 2kbo s GLU 33 Cb -0.13 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 2kbo s GLU 33 CO -0.03 0.09 0.01 0.54 0.02 0.00 0.00 175.26 175.90 2kbo s VAL 34 N 0.55 0.13 0.04 2.63 0.11 -1.26 0.19 120.40 122.79 2kbo s VAL 34 Ca -0.15 -1.10 -0.01 0.00 -2.93 0.00 0.00 61.98 57.80 2kbo s VAL 34 Cb -0.17 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 2kbo s VAL 34 CO 0.05 -0.60 -0.03 -1.83 -3.33 0.00 0.00 175.10 169.36 2kbo s GLU 35 N -2.16 0.48 0.14 1.54 1.03 -0.78 -4.47 118.70 114.47 2kbo s GLU 35 Ca -0.09 -0.94 0.05 0.00 0.03 0.00 0.00 54.97 54.02 2kbo s GLU 35 Cb -0.04 0.17 -0.04 0.00 -0.80 0.00 0.00 34.13 33.41 2kbo s GLU 35 CO -0.03 -0.08 0.10 -0.98 -1.33 0.00 0.00 175.26 172.93 2kbo s ARG 36 N -2.79 2.82 -0.29 -4.83 1.70 -1.26 -1.48 118.95 112.81 2kbo s ARG 36 Ca -0.04 -0.85 -0.11 0.00 -0.47 0.00 0.00 55.73 54.26 2kbo s ARG 36 Cb -0.00 -2.63 -0.04 0.00 -0.57 0.00 0.00 34.95 31.71 2kbo s ARG 36 CO -0.06 0.50 0.19 -1.64 -1.08 0.00 0.00 175.30 173.22 2kbo s MET 37 N -2.86 3.80 -0.67 3.89 -1.94 0.28 -1.24 119.30 120.56 2kbo s MET 37 Ca 0.30 -0.42 -0.22 0.00 -1.71 0.00 0.00 55.69 53.63 2kbo s MET 37 Cb -0.11 -3.66 0.07 0.00 2.01 0.00 0.00 34.83 33.15 2kbo s MET 37 CO 0.22 -0.25 0.97 -1.58 -0.01 0.00 0.00 175.02 174.37 2kbo s HIS 38 N 1.73 2.71 0.00 -0.03 2.46 -0.00 -2.65 115.29 119.51 2kbo s HIS 38 Ca 0.07 -0.62 0.00 0.00 0.47 0.00 0.00 55.06 54.98 2kbo s HIS 38 Cb -0.16 -4.29 0.00 0.00 -0.13 0.00 0.00 32.58 28.00 2kbo s HIS 38 CO 0.10 -1.63 0.00 -1.71 -2.47 0.00 0.00 174.74 169.03 2kbo n ASN 39 N 7.60 -2.30 -0.38 9.88 5.15 -1.26 -2.06 115.26 131.89 2kbo n ASN 39 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 2kbo n ASN 39 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 2kbo n ASN 39 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2kbo n ASP 40 N -2.38 0.00 -4.02 1.20 8.00 -1.26 -4.54 116.55 113.55 2kbo n ASP 40 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 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 -1.00 0.38 0.07 -3.53 -1.32 -0.87 -5.15 115.64 104.21 2kbo s THR 41 Ca 0.00 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.52 2kbo s THR 41 Cb 0.00 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.44 2kbo s THR 41 CO 0.00 0.00 0.02 -1.66 -2.21 0.00 0.00 174.62 170.77 2kbo s TRP 42 N -3.57 3.07 0.25 9.09 1.48 -1.26 -0.82 118.94 127.17 2kbo s TRP 42 Ca 0.35 0.02 0.10 0.00 -1.06 0.00 0.00 56.10 55.51 2kbo s TRP 42 Cb 0.05 -1.59 -0.05 0.00 -1.16 0.00 0.00 33.47 30.72 2kbo s TRP 42 CO 0.17 0.49 -0.16 0.08 -4.06 0.00 0.00 176.95 173.47 2kbo s VAL 43 N -1.30 2.10 -0.16 -0.66 1.01 -0.37 -4.72 120.40 116.30 2kbo s VAL 43 Ca 0.26 -2.29 -0.00 0.00 0.00 0.00 0.00 61.98 59.94 2kbo s VAL 43 Cb -0.12 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 2kbo s VAL 43 CO 0.18 -0.46 -0.14 -0.76 0.00 0.00 0.00 175.10 173.92 2kbo s LEU 44 N -3.43 2.53 0.84 3.92 1.43 -1.26 -4.29 118.68 118.42 2kbo s LEU 44 Ca 0.27 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.75 2kbo s LEU 44 Cb -0.02 -1.58 -0.11 0.00 0.03 0.00 0.00 46.19 44.51 2kbo s LEU 44 CO 0.12 0.08 -0.31 0.00 0.23 0.00 0.00 176.35 176.47 2kbo n LEU 45 N 4.10 -3.78 0.00 1.79 -0.00 -1.26 -4.88 117.00 112.97 2kbo n LEU 45 Ca -0.19 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 2kbo n LEU 45 Cb 0.52 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 2kbo n LEU 45 CO 0.29 -5.04 0.00 0.59 -0.00 0.00 0.00 177.39 173.23 2kbo n ASN 46 N 2.10 0.00 0.00 1.45 3.02 -1.26 -4.82 115.26 115.75 2kbo n ASN 46 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2kbo n ASN 46 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 2kbo n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbo n GLN 47 N 0.00 0.00 -3.88 3.52 3.00 -1.26 -5.09 117.38 113.67 2kbo n GLN 47 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 2kbo n GLN 47 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 30.24 30.07 2kbo n GLN 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2kbo s ARG 48 N 0.00 0.43 0.41 -1.09 0.52 -1.26 -5.15 118.95 112.81 2kbo s ARG 48 Ca 0.00 0.10 0.05 0.00 -0.52 0.00 0.00 55.73 55.36 2kbo s ARG 48 Cb 0.00 -0.69 0.00 0.00 0.52 0.00 0.00 34.95 34.78 2kbo s ARG 48 CO 0.00 -0.20 0.58 1.03 0.02 0.00 0.00 175.30 176.73 2kbo s ARG 49 N 1.44 2.95 0.00 3.54 1.81 -1.26 -5.10 118.95 122.33 2kbo s ARG 49 Ca -0.04 -0.93 0.00 0.00 -1.72 0.00 0.00 55.73 53.04 2kbo s ARG 49 Cb -0.13 -2.71 0.00 0.00 -0.45 0.00 0.00 34.95 31.66 2kbo s ARG 49 CO -0.03 -0.20 0.00 0.41 -0.68 0.00 0.00 175.30 174.81 2kbo n GLY 50 N -1.88 2.52 3.53 -3.53 0.00 -1.13 -4.73 105.19 99.97 2kbo n GLY 50 Ca 0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.45 -0.33 0.32 1.61 5.36 -1.22 -2.82 117.98 119.45 2kbo s PHE 51 Ca 0.00 0.17 0.06 0.00 -0.96 0.00 0.00 56.93 56.21 2kbo s PHE 51 Cb 0.00 0.55 -0.06 0.00 -0.34 0.00 0.00 43.02 43.17 2kbo s PHE 51 CO 0.00 -0.58 -0.03 -0.51 -1.46 0.00 0.00 175.22 172.64 2kbo s LEU 52 N -2.53 2.51 -0.14 6.12 1.02 -1.26 -4.56 118.68 119.85 2kbo s LEU 52 Ca 0.06 -1.25 -0.04 0.00 0.02 0.00 0.00 54.13 52.91 2kbo s LEU 52 Cb -0.01 -0.67 0.07 0.00 0.02 0.00 0.00 46.19 45.59 2kbo s LEU 52 CO -0.08 -0.39 0.24 0.00 0.02 0.00 0.00 176.35 176.14 2kbo n ASN 54 N 5.34 0.11 -4.88 0.00 4.05 -1.26 -1.52 115.26 117.10 2kbo n ASN 54 Ca -0.06 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.65 2kbo n ASN 54 Cb 0.50 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.45 2kbo n ASN 54 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2kbo s GLN 55 N 2.59 3.76 0.05 1.20 -0.21 -1.26 -4.83 119.66 120.96 2kbo s GLN 55 Ca 0.00 0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.58 2kbo s GLN 55 Cb 0.00 -2.73 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 2kbo s GLN 55 CO 0.00 0.38 -0.06 0.00 -2.12 0.00 0.00 175.29 173.49 2kbo s ALA 56 N -1.74 0.54 -1.51 6.09 0.00 -1.26 -5.03 121.76 118.86 2kbo s ALA 56 Ca 0.45 -0.90 0.22 0.00 0.00 0.00 0.00 51.96 51.73 2kbo s ALA 56 Cb -0.12 0.12 1.13 0.00 0.00 0.00 0.00 23.12 24.26 2kbo s ALA 56 CO 0.22 -0.14 1.70 -0.35 0.00 0.00 0.00 175.76 177.19 2kbo n PRO 57 N 1.02 0.36 0.00 0.00 -0.04 -1.26 -3.66 135.00 131.42 2kbo n PRO 57 Ca -0.20 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2kbo n PRO 57 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.25 0.00 -1.07 0.54 -0.00 -1.26 -4.76 115.22 107.42 2kbo n HIS 58 Ca 0.11 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.94 2kbo n HIS 58 Cb 0.16 -0.09 -0.00 0.00 -0.12 0.00 0.00 29.99 29.94 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 -0.99 0.00 -1.08 1.57 5.02 -1.24 -4.31 118.16 117.13 2kbo n LYS 59 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2kbo n LYS 59 Cb 0.03 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 2kbo n LYS 59 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2kbo n HIS 60 N -0.75 -1.25 -3.32 2.13 -0.00 -1.26 -4.81 115.22 105.96 2kbo n HIS 60 Ca 0.10 0.75 -0.16 0.00 0.46 0.00 0.00 57.72 58.87 2kbo n HIS 60 Cb 0.31 -2.45 0.08 0.00 -0.12 0.00 0.00 29.99 27.82 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 0.47 -0.62 3.17 1.57 0.00 -1.26 -5.03 105.19 103.49 2kbo n GLY 61 Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 2kbo n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kbo s PHE 62 N -3.36 -0.12 -0.04 1.61 -0.71 -1.26 -5.12 117.98 108.98 2kbo s PHE 62 Ca 0.16 0.20 -0.18 0.00 -1.04 0.00 0.00 56.93 56.08 2kbo s PHE 62 Cb -0.02 0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 2kbo s PHE 62 CO 0.71 -0.30 0.49 -0.51 -1.34 0.00 0.00 175.22 174.27 2kbo s LEU 63 N -1.05 4.39 0.00 -1.99 2.01 -1.26 -5.06 118.68 115.72 2kbo s LEU 63 Ca -0.11 0.98 0.03 0.00 0.01 0.00 0.00 54.13 55.04 2kbo s LEU 63 Cb -0.05 -2.73 0.03 0.00 0.01 0.00 0.00 46.19 43.45 2kbo s LEU 63 CO 0.02 0.15 0.25 -0.62 1.01 0.00 0.00 176.35 177.17 2kbo n GLU 64 N 2.70 0.92 -0.51 1.70 1.02 -1.26 -4.45 120.64 120.76 2kbo n GLU 64 Ca -0.10 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.95 2kbo n GLU 64 Cb 0.52 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 2kbo n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kbo n GLY 65 N 2.59 0.00 3.65 0.62 0.00 -1.26 -4.83 105.19 105.97 2kbo n GLY 65 Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 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 0.15 1.81 -4.03 1.61 1.74 -1.26 -4.96 116.66 111.71 2kbo n ARG 66 Ca 0.00 0.66 -0.29 0.00 -0.77 0.00 0.00 57.85 57.45 2kbo n ARG 66 Cb 0.21 -2.40 -0.05 0.00 -1.02 0.00 0.00 32.46 29.19 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 1.57 3.25 0.25 -1.55 3.76 -1.26 -4.88 115.29 116.43 2kbo s HIS 67 Ca 0.84 0.07 0.18 0.00 -0.15 0.00 0.00 55.06 56.00 2kbo s HIS 67 Cb -0.79 -1.61 0.86 0.00 1.11 0.00 0.00 32.58 32.16 2kbo s HIS 67 CO 0.45 0.53 0.91 0.00 -0.85 0.00 0.00 174.74 175.78 2kbo n ALA 68 N 0.04 0.77 0.38 -1.40 0.00 -1.26 0.68 120.51 119.71 2kbo n ALA 68 Ca -0.08 0.52 -0.16 0.00 0.00 0.00 0.00 53.44 53.72 2kbo n ALA 68 Cb 0.53 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.99 0.00 0.00 9.09 -1.95 -2.24 114.58 118.50 2kbo h GLU 69 Ca 0.51 0.07 -0.01 0.00 0.05 0.00 0.00 59.36 59.98 2kbo h GLU 69 Cb 1.61 0.22 -0.00 0.00 -1.65 0.00 0.00 28.75 28.93 2kbo h GLU 69 CO -0.30 -0.66 -0.05 -0.07 0.05 0.00 0.00 179.01 177.98 2kbo h LEU 70 N -1.03 0.00 0.53 3.06 -0.00 -0.05 -2.77 115.31 115.05 2kbo h LEU 70 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 2kbo h LEU 70 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.47 2kbo h LEU 70 CO 0.11 0.05 -0.35 0.00 -0.00 0.00 0.00 178.44 178.25 2kbo h PHE 72 N -0.83 1.08 -0.91 0.00 -5.15 -1.47 0.78 116.94 110.43 2kbo h PHE 72 Ca -0.07 -0.14 0.26 0.00 -0.20 0.00 0.00 57.97 57.82 2kbo h PHE 72 Cb 0.68 -0.30 -0.04 0.00 0.22 0.00 0.00 35.95 36.51 2kbo h PHE 72 CO -0.08 0.91 1.16 1.25 -2.00 0.00 0.00 178.31 179.55 2kbo h LEU 73 N 0.96 0.00 0.00 2.10 5.85 -1.26 3.55 115.31 126.50 2kbo h LEU 73 Ca 0.19 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 2kbo h LEU 73 Cb 0.42 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2kbo h LEU 73 CO 0.01 0.00 -1.80 -0.67 -0.34 0.00 0.00 178.44 175.64 2kbo n ASP 74 N -3.21 0.42 -0.03 1.25 2.03 0.24 -4.45 116.55 112.80 2kbo n ASP 74 Ca 0.20 0.18 -0.15 0.00 0.52 0.00 0.00 54.79 55.55 2kbo n ASP 74 Cb 1.43 0.86 -0.10 0.00 -0.72 0.00 0.00 41.12 42.59 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 1.47 -0.86 5.18 3.04 0.70 -3.30 116.25 122.48 2kbo h VAL 75 Ca -0.22 -1.73 0.14 0.00 -1.01 0.00 0.00 66.70 63.89 2kbo h VAL 75 Cb 1.59 2.48 -0.15 0.00 -2.01 0.00 0.00 31.29 33.20 2kbo h VAL 75 CO 0.03 0.48 -0.30 -0.38 -1.01 0.00 0.00 177.57 176.39 2kbo n ILE 76 N -4.52 -0.42 0.32 3.17 2.08 -0.81 0.35 119.36 119.53 2kbo n ILE 76 Ca -0.09 1.99 0.14 0.00 0.56 0.00 0.00 62.75 65.35 2kbo n ILE 76 Cb 0.46 -2.67 0.61 0.00 -0.75 0.00 0.00 39.64 37.29 2kbo n ILE 76 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2kbo h PRO 77 N 0.00 0.00 -0.71 0.38 0.13 -1.82 -2.82 132.00 127.15 2kbo h PRO 77 Ca 0.33 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.42 2kbo h PRO 77 Cb 0.55 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 2kbo h PRO 77 CO -0.86 0.00 0.28 0.35 -0.23 0.00 0.00 178.00 177.54 2kbo h PHE 78 N 0.00 1.09 0.00 1.56 3.57 0.61 -2.55 116.94 121.22 2kbo h PHE 78 Ca 0.00 -0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.30 2kbo h PHE 78 Cb 0.29 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2kbo h PHE 78 CO 0.00 0.84 -0.53 -1.49 -2.23 0.00 0.00 178.31 174.90 2kbo h TRP 79 N 1.02 0.00 -5.92 0.41 6.55 -1.37 -3.48 115.95 113.16 2kbo h TRP 79 Ca 0.24 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 59.81 2kbo h TRP 79 Cb 0.22 0.00 0.05 0.00 -0.86 0.00 0.00 29.16 28.57 2kbo h TRP 79 CO 0.02 0.53 -0.62 1.63 -1.05 0.00 0.00 178.44 178.95 2kbo n LYS 80 N -3.33 -1.46 0.00 0.49 5.02 -0.96 -5.01 118.16 112.90 2kbo n LYS 80 Ca 0.01 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 2kbo n LYS 80 Cb 0.70 -4.58 0.00 0.00 -0.02 0.00 0.00 35.03 31.13 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 -2.88 0.00 0.00 -0.35 4.32 -1.26 -5.12 117.00 111.72 2kbo n LEU 81 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2kbo n LEU 81 Cb 0.58 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 2kbo n LEU 81 CO 0.60 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.24 2kbo n ASP 82 N 0.00 1.33 -0.11 -1.43 8.00 -1.26 -5.09 116.55 118.00 2kbo n ASP 82 Ca 0.00 -0.62 -0.20 0.00 0.71 0.00 0.00 54.79 54.68 2kbo n ASP 82 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2kbo n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kbo n LEU 83 N 0.00 1.87 0.07 0.64 -0.00 -1.26 -4.11 117.00 114.22 2kbo n LEU 83 Ca 0.00 0.43 0.03 0.00 -0.00 0.00 0.00 56.01 56.47 2kbo n LEU 83 Cb 0.00 -0.91 0.14 0.00 -0.00 0.00 0.00 43.42 42.65 2kbo n LEU 83 CO 0.00 0.20 0.63 -0.67 -0.00 0.00 0.00 177.39 177.55 2kbo n ASP 84 N -4.42 0.13 -4.95 1.96 -0.08 -1.26 -4.51 116.55 103.42 2kbo n ASP 84 Ca -0.32 0.38 -0.24 0.00 -1.51 0.00 0.00 54.79 53.10 2kbo n ASP 84 Cb 0.66 -0.35 0.05 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 -2.86 2.39 0.28 -0.67 -1.52 -1.26 -4.38 119.66 111.65 2kbo s GLN 85 Ca -0.01 -0.48 0.02 0.00 -1.95 0.00 0.00 55.36 52.94 2kbo s GLN 85 Cb 0.01 -2.32 -0.03 0.00 -0.22 0.00 0.00 33.01 30.45 2kbo s GLN 85 CO 0.05 -0.97 0.26 -0.51 -0.25 0.00 0.00 175.29 173.87 2kbo s ASP 86 N -4.46 0.94 0.05 5.90 1.11 -1.08 -4.96 116.67 114.16 2kbo s ASP 86 Ca 0.58 -1.55 0.04 0.00 0.18 0.00 0.00 52.55 51.81 2kbo s ASP 86 Cb -0.11 0.51 -0.02 0.00 1.07 0.00 0.00 42.92 44.37 2kbo s ASP 86 CO 0.42 -1.02 -0.13 -0.31 1.18 0.00 0.00 175.17 175.31 2kbo s TYR 87 N -3.68 1.08 -0.46 4.23 2.02 -1.26 0.10 117.35 119.39 2kbo s TYR 87 Ca 0.38 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 2kbo s TYR 87 Cb 0.03 -0.63 0.14 0.00 -0.40 0.00 0.00 41.96 41.10 2kbo s TYR 87 CO 0.20 0.02 0.26 0.50 -1.57 0.00 0.00 175.55 174.96 2kbo s ARG 88 N -1.35 1.42 0.25 -0.62 3.52 -0.55 -3.28 118.95 118.34 2kbo s ARG 88 Ca -0.02 -2.15 -0.09 0.00 -0.13 0.00 0.00 55.73 53.34 2kbo s ARG 88 Cb -0.09 -2.48 -0.07 0.00 -1.56 0.00 0.00 34.95 30.76 2kbo s ARG 88 CO 0.01 -1.17 0.57 0.08 -0.81 0.00 0.00 175.30 173.98 2kbo s VAL 89 N 0.18 4.93 -0.05 7.11 1.01 0.14 -1.87 120.40 131.85 2kbo s VAL 89 Ca 0.18 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 2kbo s VAL 89 Cb -0.23 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2kbo s VAL 89 CO -0.01 -0.13 0.11 -0.89 0.00 0.00 0.00 175.10 174.17 2kbo s THR 90 N -1.89 -0.03 -0.01 3.92 2.01 0.51 -1.85 115.64 118.30 2kbo s THR 90 Ca 0.47 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.67 2kbo s THR 90 Cb -0.11 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 2kbo s THR 90 CO 0.23 0.05 -0.26 0.00 -0.69 0.00 0.00 174.62 173.95 2kbo s PHE 92 N -0.64 2.49 0.25 0.00 0.08 0.09 -0.70 117.98 119.55 2kbo s PHE 92 Ca 0.10 -2.13 -0.04 0.00 0.12 0.00 0.00 56.93 54.99 2kbo s PHE 92 Cb -0.10 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2kbo s PHE 92 CO -0.01 -0.87 0.30 0.99 -0.10 0.00 0.00 175.22 175.54 2kbo s THR 93 N 1.35 0.00 -0.61 0.64 2.01 -0.34 -0.99 115.64 117.69 2kbo s THR 93 Ca 0.07 -1.76 0.24 0.00 0.31 0.00 0.00 61.69 60.54 2kbo s THR 93 Cb -0.18 -2.44 0.04 0.00 0.01 0.00 0.00 72.50 69.93 2kbo s THR 93 CO -0.15 0.00 1.29 0.28 -0.69 0.00 0.00 174.62 175.35 2kbo h SER 94 N 2.38 0.00 -4.03 3.53 0.02 -1.84 -3.08 113.55 110.52 2kbo h SER 94 Ca -0.31 -0.21 -0.64 0.00 -0.84 0.00 0.00 61.79 59.80 2kbo h SER 94 Cb 1.25 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.56 2kbo h SER 94 CO 0.44 0.10 -0.85 -1.66 -1.14 0.00 0.00 176.83 173.72 2kbo s TRP 95 N -3.18 2.11 0.00 3.45 1.48 -1.26 -0.69 118.94 120.86 2kbo s TRP 95 Ca 0.06 -0.39 0.00 0.00 -1.06 0.00 0.00 56.10 54.70 2kbo s TRP 95 Cb 0.13 -1.16 0.00 0.00 -1.16 0.00 0.00 33.47 31.28 2kbo s TRP 95 CO 0.73 0.28 0.00 0.45 -4.06 0.00 0.00 176.95 174.34 2kbo n SER 96 N 1.04 -0.33 -2.83 -2.66 2.88 -1.26 -4.74 113.62 105.72 2kbo n SER 96 Ca -0.18 -0.78 0.00 0.00 -1.33 0.00 0.00 58.87 56.57 2kbo n SER 96 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2kbo n SER 96 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2kbo n PRO 97 N -1.11 3.06 -3.72 -1.46 -0.04 -1.26 -5.08 135.00 125.38 2kbo n PRO 97 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2kbo n PRO 97 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.65 -0.13 -0.04 0.00 -1.74 -1.26 0.14 117.46 115.07 2kbo n PHE 99 Ca -0.19 0.37 -0.02 0.00 -0.56 0.00 0.00 57.45 57.06 2kbo n PHE 99 Cb 0.59 -0.43 -0.01 0.00 1.52 0.00 0.00 39.48 41.15 2kbo n PHE 99 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 2kbo h SER 100 N 0.00 0.00 -1.04 5.98 0.02 -1.98 -3.04 113.55 113.50 2kbo h SER 100 Ca 0.05 0.00 0.30 0.00 -0.84 0.00 0.00 61.79 61.30 2kbo h SER 100 Cb 0.12 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 2kbo h SER 100 CO -0.28 0.45 1.09 0.00 -1.14 0.00 0.00 176.83 176.95 2kbo h ALA 102 N 0.79 0.14 0.33 0.00 0.00 0.11 -2.99 119.26 117.65 2kbo h ALA 102 Ca 0.49 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kbo h ALA 102 Cb 2.67 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.42 2kbo h ALA 102 CO -0.01 0.17 -0.52 1.96 0.00 0.00 0.00 179.25 180.85 2kbo h GLN 103 N -0.14 -0.86 -0.70 0.00 4.20 0.25 0.70 115.11 118.57 2kbo h GLN 103 Ca -0.01 0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.82 2kbo h GLN 103 Cb 0.91 0.19 -0.08 0.00 0.30 0.00 0.00 27.48 28.80 2kbo h GLN 103 CO 0.06 -0.57 -0.41 0.39 -0.67 0.00 0.00 178.83 177.63 2kbo n GLU 104 N -5.48 -0.31 0.11 1.46 4.71 -0.87 -0.15 120.64 120.12 2kbo n GLU 104 Ca -0.10 1.15 -0.06 0.00 -0.01 0.00 0.00 57.16 58.14 2kbo n GLU 104 Cb 0.44 -1.70 -0.03 0.00 -1.01 0.00 0.00 31.44 29.14 2kbo n GLU 104 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 2kbo h MET 105 N 0.00 -0.32 -0.58 3.49 4.05 -1.27 -2.89 114.93 117.41 2kbo h MET 105 Ca 0.11 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.62 2kbo h MET 105 Cb 0.29 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.08 2kbo h MET 105 CO -0.66 -0.21 -0.30 0.00 0.23 0.00 0.00 176.91 175.96 2kbo n ALA 106 N -2.34 -0.27 -0.10 0.39 0.00 0.24 -0.25 120.51 118.18 2kbo n ALA 106 Ca -0.04 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2kbo n ALA 106 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -4.77 0.00 -0.38 0.00 5.02 0.79 0.36 118.16 119.18 2kbo n LYS 107 Ca 0.03 0.86 0.34 0.00 -2.02 0.00 0.00 58.31 57.52 2kbo n LYS 107 Cb 0.18 -1.45 0.52 0.00 -0.02 0.00 0.00 35.03 34.26 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 -2.64 0.00 -0.07 2.13 3.01 0.65 0.30 117.46 120.85 2kbo n PHE 108 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.39 2kbo n PHE 108 Cb 0.00 -0.32 -0.15 0.00 -0.01 0.00 0.00 39.48 39.00 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 -3.27 1.24 0.03 4.37 -0.00 0.55 -3.42 119.36 118.86 2kbo n ILE 109 Ca 0.28 -0.80 -0.00 0.00 -0.00 0.00 0.00 62.75 62.24 2kbo n ILE 109 Cb 1.50 -0.51 -0.08 0.00 -0.00 0.00 0.00 39.64 40.55 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 -2.74 0.84 0.11 4.38 3.41 1.12 -3.90 113.62 116.84 2kbo n SER 110 Ca -0.26 0.37 -0.18 0.00 -0.26 0.00 0.00 58.87 58.55 2kbo n SER 110 Cb 1.05 0.18 -0.14 0.00 -0.26 0.00 0.00 64.21 65.04 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 0.32 -3.23 4.33 1.79 0.16 -3.39 116.57 116.55 2kbo h LYS 111 Ca -0.17 -0.55 -0.66 0.00 -2.18 0.00 0.00 60.65 57.09 2kbo h LYS 111 Cb 1.59 0.20 -0.39 0.00 -1.58 0.00 0.00 32.23 32.06 2kbo h LYS 111 CO 0.05 1.25 -0.39 -0.80 -1.08 0.00 0.00 179.45 178.48 2kbo s ASN 112 N -7.21 5.24 -0.25 0.86 0.01 -1.22 -4.98 114.94 107.39 2kbo s ASN 112 Ca -0.06 -3.66 -0.02 0.00 -0.71 0.00 0.00 52.86 48.41 2kbo s ASN 112 Cb 0.06 -1.75 -0.02 0.00 0.41 0.00 0.00 41.25 39.95 2kbo s ASN 112 CO 0.89 -0.15 1.31 0.29 -1.51 0.00 0.00 177.10 177.93 2kbo n LYS 113 N 2.31 0.62 -0.51 -0.60 4.01 -1.25 -3.20 118.16 119.54 2kbo n LYS 113 Ca 0.18 -0.71 -0.00 0.00 -0.51 0.00 0.00 58.31 57.27 2kbo n LYS 113 Cb 0.36 -2.06 -0.00 0.00 -0.51 0.00 0.00 35.03 32.82 2kbo n LYS 113 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 2kbo n HIS 114 N 4.47 0.00 -4.30 2.13 1.44 -1.26 -5.12 115.22 112.58 2kbo n HIS 114 Ca 0.13 -0.01 -0.28 0.00 -2.01 0.00 0.00 57.72 55.56 2kbo n HIS 114 Cb 0.06 0.11 -0.10 0.00 0.12 0.00 0.00 29.99 30.18 2kbo n HIS 114 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2kbo s VAL 115 N 0.00 3.01 -0.23 0.61 1.01 -1.19 -4.17 120.40 119.43 2kbo s VAL 115 Ca 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 61.98 60.34 2kbo s VAL 115 Cb 0.00 -2.44 0.08 0.00 0.00 0.00 0.00 36.38 34.02 2kbo s VAL 115 CO -0.00 -0.01 0.09 -0.44 0.00 0.00 0.00 175.10 174.74 2kbo s SER 116 N -2.51 3.08 -0.13 3.32 0.01 -1.21 -4.95 113.70 111.31 2kbo s SER 116 Ca 0.22 -1.01 -0.03 0.00 1.31 0.00 0.00 55.95 56.43 2kbo s SER 116 Cb -0.10 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 2kbo s SER 116 CO 0.13 -0.38 -0.01 -0.76 0.41 0.00 0.00 173.24 172.62 2kbo s LEU 117 N 2.00 3.43 -0.46 2.44 1.02 -1.25 -0.69 118.68 125.18 2kbo s LEU 117 Ca 0.05 -0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.23 2kbo s LEU 117 Cb -0.16 -1.81 0.12 0.00 0.02 0.00 0.00 46.19 44.35 2kbo s LEU 117 CO -0.20 0.25 0.19 0.00 0.02 0.00 0.00 176.35 176.60 2kbo s ILE 119 N 0.14 4.97 -0.43 0.00 1.01 0.61 -2.17 121.20 125.33 2kbo s ILE 119 Ca 0.15 1.45 -0.07 0.00 0.00 0.00 0.00 60.65 62.18 2kbo s ILE 119 Cb -0.24 -4.04 0.10 0.00 0.01 0.00 0.00 42.46 38.29 2kbo s ILE 119 CO -0.03 0.30 0.26 -0.36 0.00 0.00 0.00 174.94 175.10 2kbo s PHE 120 N 0.49 3.43 -0.15 3.97 0.08 0.12 -0.38 117.98 125.54 2kbo s PHE 120 Ca 0.37 -1.90 0.01 0.00 0.12 0.00 0.00 56.93 55.53 2kbo s PHE 120 Cb -0.18 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.12 2kbo s PHE 120 CO 0.19 -0.93 -0.18 -0.08 -0.10 0.00 0.00 175.22 174.13 2kbo s THR 121 N 1.32 2.45 0.00 0.64 -1.32 -0.89 -1.20 115.64 116.64 2kbo s THR 121 Ca 0.05 -0.85 -0.13 0.00 -1.21 0.00 0.00 61.69 59.54 2kbo s THR 121 Cb -0.24 -2.01 -0.07 0.00 -1.51 0.00 0.00 72.50 68.67 2kbo s THR 121 CO -0.01 0.53 0.84 0.00 -2.21 0.00 0.00 174.62 173.77 2kbo h ALA 122 N 7.26 -0.77 -2.42 11.08 0.00 -1.31 -2.45 119.26 130.65 2kbo h ALA 122 Ca -0.32 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2kbo h ALA 122 Cb 1.19 0.19 -0.16 0.00 0.00 0.00 0.00 17.79 19.01 2kbo h ALA 122 CO 0.56 -0.73 0.15 -0.98 0.00 0.00 0.00 179.25 178.25 2kbo s ARG 123 N -3.44 1.11 -0.02 0.00 1.04 0.14 -4.44 118.95 113.33 2kbo s ARG 123 Ca -0.07 -0.08 0.02 0.00 -1.04 0.00 0.00 55.73 54.56 2kbo s ARG 123 Cb 0.01 0.52 0.00 0.00 -2.04 0.00 0.00 34.95 33.44 2kbo s ARG 123 CO 0.21 -0.40 -0.06 0.96 -0.04 0.00 0.00 175.30 175.97 2kbo s ILE 124 N -2.24 0.52 -0.25 4.99 -4.36 -1.26 -4.26 121.20 114.34 2kbo s ILE 124 Ca -0.06 -0.22 -0.03 0.00 -0.26 0.00 0.00 60.65 60.07 2kbo s ILE 124 Cb -0.01 -0.48 0.08 0.00 1.25 0.00 0.00 42.46 43.31 2kbo s ILE 124 CO 0.00 0.17 0.09 -0.31 0.24 0.00 0.00 174.94 175.14 2kbo s TYR 125 N 0.22 0.77 0.00 1.37 1.51 -1.26 -4.68 117.35 115.28 2kbo s TYR 125 Ca -0.03 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.08 2kbo s TYR 125 Cb -0.07 -1.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.71 2kbo s TYR 125 CO -0.00 -0.73 0.00 -0.25 -1.11 0.00 0.00 175.55 173.46 2kbo n ASP 126 N 5.12 0.05 -0.01 2.29 8.00 -1.26 -5.06 116.55 125.68 2kbo n ASP 126 Ca -0.06 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.55 2kbo n ASP 126 Cb 0.45 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.38 2kbo n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2kbo n ASP 127 N 0.00 0.12 -3.65 -2.24 5.75 -1.26 -5.00 116.55 110.26 2kbo n ASP 127 Ca 0.00 -0.05 -0.21 0.00 -0.01 0.00 0.00 54.79 54.52 2kbo n ASP 127 Cb 0.00 1.94 0.05 0.00 -1.03 0.00 0.00 41.12 42.07 2kbo n ASP 127 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kbo n GLN 128 N -2.21 -5.57 -1.31 0.11 1.13 -1.26 -4.96 117.38 103.31 2kbo n GLN 128 Ca -0.04 0.69 -0.30 0.00 -1.94 0.00 0.00 57.00 55.41 2kbo n GLN 128 Cb 0.55 -5.42 0.12 0.00 0.11 0.00 0.00 30.24 25.60 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 -4.20 1.62 0.52 1.08 0.00 -1.26 -4.81 107.32 100.27 2kbo s GLY 129 Ca 0.10 -0.10 0.08 0.00 0.00 0.00 0.00 44.72 44.80 2kbo s GLY 129 CO 0.79 0.37 1.16 3.21 0.00 0.00 0.00 173.10 178.63 2kbo h ARG 130 N -1.39 0.00 0.00 2.90 3.08 -2.06 0.44 114.38 117.34 2kbo h ARG 130 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2kbo h ARG 130 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2kbo h ARG 130 CO 0.56 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 2kbo n GLN 132 N -1.14 0.03 -0.05 0.00 10.64 0.15 -3.68 117.38 123.32 2kbo n GLN 132 Ca 0.01 0.51 -0.01 0.00 -1.83 0.00 0.00 57.00 55.68 2kbo n GLN 132 Cb 0.01 -1.62 -0.01 0.00 -0.86 0.00 0.00 30.24 27.76 2kbo n GLN 132 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2kbo n GLU 133 N -1.64 -0.05 -0.14 2.61 0.28 -1.06 -0.78 120.64 119.86 2kbo n GLU 133 Ca -0.00 0.77 -0.13 0.00 -0.16 0.00 0.00 57.16 57.63 2kbo n GLU 133 Cb 0.03 -1.14 -0.09 0.00 1.43 0.00 0.00 31.44 31.66 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 -1.06 -0.54 -1.84 0.00 -1.60 0.26 103.07 98.28 2kbo h GLY 134 Ca 0.02 0.73 0.05 0.00 0.00 0.00 0.00 47.33 48.13 2kbo h GLY 134 CO -0.12 -0.15 -0.32 -0.10 0.00 0.00 0.00 176.54 175.85 2kbo n LEU 135 N -5.22 -0.58 0.22 3.11 0.00 0.04 0.32 117.00 114.89 2kbo n LEU 135 Ca -0.03 1.06 0.07 0.00 0.00 0.00 0.00 56.01 57.11 2kbo n LEU 135 Cb 0.32 -0.17 0.53 0.00 0.00 0.00 0.00 43.42 44.10 2kbo n LEU 135 CO 0.00 -0.83 0.85 -0.09 0.00 0.00 0.00 177.39 177.32 2kbo h ARG 136 N 0.00 0.00 0.03 1.96 1.12 -0.86 -1.60 114.38 115.03 2kbo h ARG 136 Ca 0.09 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.96 2kbo h ARG 136 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 2kbo h ARG 136 CO -0.51 0.23 -0.02 1.15 -3.11 0.00 0.00 179.97 177.72 2kbo h THR 137 N 0.00 1.27 0.00 0.20 2.02 0.71 -2.07 112.91 115.04 2kbo h THR 137 Ca -0.00 -1.75 -0.06 0.00 0.77 0.00 0.00 66.41 65.37 2kbo h THR 137 Cb 0.49 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2kbo h THR 137 CO 0.03 0.40 -0.30 0.17 0.37 0.00 0.00 175.52 176.19 2kbo h LEU 138 N -0.91 0.00 -0.22 2.58 -0.00 0.75 1.82 115.31 119.32 2kbo h LEU 138 Ca -0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.66 2kbo h LEU 138 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2kbo h LEU 138 CO 0.01 0.30 -0.89 0.00 -0.00 0.00 0.00 178.44 177.85 2kbo h ALA 139 N 1.70 0.42 0.09 0.17 0.00 -1.38 0.75 119.26 121.00 2kbo h ALA 139 Ca -0.00 -0.69 -0.37 0.00 0.00 0.00 0.00 54.91 53.85 2kbo h ALA 139 Cb 0.77 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2kbo h ALA 139 CO 0.04 0.81 -2.12 0.39 0.00 0.00 0.00 179.25 178.37 2kbo n GLU 140 N -3.76 0.72 0.21 0.00 -0.58 -0.78 -3.73 120.64 112.72 2kbo n GLU 140 Ca -0.06 0.24 0.18 0.00 -0.42 0.00 0.00 57.16 57.10 2kbo n GLU 140 Cb 0.81 -1.65 0.82 0.00 -0.57 0.00 0.00 31.44 30.84 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 0.02 1.73 0.00 0.62 0.00 0.27 -3.42 119.26 118.48 2kbo h ALA 141 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kbo h ALA 141 Cb 1.97 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2kbo h ALA 141 CO 0.02 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.26 2kbo n GLY 142 N -1.36 0.02 3.61 0.00 0.00 -1.21 -4.37 105.19 101.88 2kbo n GLY 142 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2kbo n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbo s ALA 143 N 0.00 3.54 -0.49 4.61 0.00 0.26 -4.10 121.76 125.59 2kbo s ALA 143 Ca 0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 51.96 51.17 2kbo s ALA 143 Cb 0.00 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.98 2kbo s ALA 143 CO 0.00 -1.09 1.02 0.15 0.00 0.00 0.00 175.76 175.85 2kbo s LYS 144 N 2.73 3.57 0.03 0.00 3.01 0.16 -4.13 119.74 125.12 2kbo s LYS 144 Ca 0.28 0.26 -0.12 0.00 -1.01 0.00 0.00 55.97 55.39 2kbo s LYS 144 Cb -0.15 -3.94 -0.06 0.00 -1.01 0.00 0.00 37.83 32.68 2kbo s LYS 144 CO 0.12 -1.35 0.39 0.42 0.51 0.00 0.00 175.35 175.43 2kbo s ILE 145 N 4.13 5.09 -0.02 2.17 -1.09 -1.26 -0.28 121.20 129.93 2kbo s ILE 145 Ca 0.41 0.59 0.02 0.00 -2.23 0.00 0.00 60.65 59.44 2kbo s ILE 145 Cb -0.09 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 2kbo s ILE 145 CO 0.28 0.43 -0.08 -0.94 -1.23 0.00 0.00 174.94 173.40 2kbo s SER 146 N -1.44 1.06 -0.54 3.58 1.04 0.48 -4.91 113.70 112.98 2kbo s SER 146 Ca 0.28 -0.16 -0.21 0.00 0.48 0.00 0.00 55.95 56.34 2kbo s SER 146 Cb -0.15 -0.29 0.06 0.00 0.10 0.00 0.00 66.02 65.74 2kbo s SER 146 CO 0.15 0.05 0.79 -0.63 0.98 0.00 0.00 173.24 174.58 2kbo s ILE 147 N 0.24 4.63 -0.64 -1.02 1.09 -1.26 -2.09 121.20 122.14 2kbo s ILE 147 Ca -0.03 -0.21 -0.26 0.00 -1.10 0.00 0.00 60.65 59.04 2kbo s ILE 147 Cb -0.08 -4.44 -0.02 0.00 -1.06 0.00 0.00 42.46 36.85 2kbo s ILE 147 CO 0.00 -1.01 1.86 -0.32 -0.10 0.00 0.00 174.94 175.37 2kbo s MET 148 N 3.29 2.63 0.64 2.79 1.75 -0.92 -4.92 119.30 124.56 2kbo s MET 148 Ca 0.21 0.51 0.05 0.00 -1.25 0.00 0.00 55.69 55.21 2kbo s MET 148 Cb -0.17 -4.45 0.10 0.00 2.84 0.00 0.00 34.83 33.16 2kbo s MET 148 CO 0.14 -2.78 0.88 0.95 -0.65 0.00 0.00 175.02 173.56 2kbo s THR 149 N 9.10 2.17 0.10 10.11 -4.23 -1.26 -4.65 115.64 126.98 2kbo s THR 149 Ca 0.67 -0.81 -0.20 0.00 -1.18 0.00 0.00 61.69 60.17 2kbo s THR 149 Cb -0.12 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 2kbo s THR 149 CO 0.19 0.00 1.06 0.00 -0.54 0.00 0.00 174.62 175.32 2kbo n TYR 150 N -2.51 -0.28 0.14 3.99 4.11 -1.26 0.26 117.16 121.60 2kbo n TYR 150 Ca 0.15 0.80 -0.14 0.00 -0.00 0.00 0.00 57.90 58.71 2kbo n TYR 150 Cb 0.61 -0.54 -0.07 0.00 -0.00 0.00 0.00 39.34 39.35 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 -0.97 0.23 9.48 0.87 -1.99 0.19 113.55 121.35 2kbo h SER 151 Ca 0.10 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2kbo h SER 151 Cb 0.26 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2kbo h SER 151 CO -0.60 -0.44 0.00 -0.62 -0.53 0.00 0.00 176.83 174.64 2kbo n GLU 152 N -5.43 0.15 0.00 2.24 4.71 0.82 -1.86 120.64 121.27 2kbo n GLU 152 Ca -0.07 0.57 0.00 0.00 -0.01 0.00 0.00 57.16 57.64 2kbo n GLU 152 Cb 0.34 -1.92 0.00 0.00 -1.01 0.00 0.00 31.44 28.85 2kbo n GLU 152 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2kbo n PHE 153 N -2.23 0.00 0.22 -0.32 7.35 0.73 0.22 117.46 123.43 2kbo n PHE 153 Ca -0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 2kbo n PHE 153 Cb 0.09 -0.29 0.51 0.00 0.35 0.00 0.00 39.48 40.14 2kbo n PHE 153 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 2kbo h LYS 154 N 0.00 0.00 0.18 -4.13 2.10 -1.30 2.88 116.57 116.29 2kbo h LYS 154 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 2kbo h LYS 154 Cb 0.00 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.36 2kbo h LYS 154 CO 0.00 0.00 -1.34 1.25 -2.00 0.00 0.00 179.45 177.36 2kbo h HIS 155 N 0.00 1.00 -0.02 0.07 2.76 -1.36 -2.71 115.15 114.88 2kbo h HIS 155 Ca 0.10 -0.67 0.01 0.00 -2.20 0.00 0.00 60.37 57.60 2kbo h HIS 155 Cb 1.44 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.34 2kbo h HIS 155 CO 0.00 1.51 0.06 0.00 -1.30 0.00 0.00 177.93 178.20 2kbo h TRP 157 N 0.00 -0.01 -1.64 0.00 6.55 -1.29 -3.30 115.95 116.26 2kbo h TRP 157 Ca 0.01 -0.00 0.49 0.00 0.95 0.00 0.00 58.89 60.34 2kbo h TRP 157 Cb 0.12 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 28.34 2kbo h TRP 157 CO 0.00 -0.01 1.15 0.22 -1.05 0.00 0.00 178.44 178.75 2kbo h ASP 158 N -0.73 0.07 -0.06 -3.49 1.82 -1.08 1.87 116.42 114.82 2kbo h ASP 158 Ca -0.00 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 2kbo h ASP 158 Cb 0.01 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.05 2kbo h ASP 158 CO 0.00 -0.05 -0.01 0.74 -1.61 0.00 0.00 179.24 178.31 2kbo h THR 159 N 0.03 1.28 0.00 2.25 2.02 -1.02 -3.38 112.91 114.09 2kbo h THR 159 Ca 0.84 -0.86 -0.31 0.00 0.77 0.00 0.00 66.41 66.85 2kbo h THR 159 Cb 3.15 1.74 -0.06 0.00 -1.74 0.00 0.00 68.15 71.24 2kbo h THR 159 CO -0.13 0.24 -2.16 0.33 0.37 0.00 0.00 175.52 174.16 2kbo n PHE 160 N -4.84 0.00 -2.06 3.16 7.35 0.34 -4.98 117.46 116.43 2kbo n PHE 160 Ca -0.07 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.22 2kbo n PHE 160 Cb 0.21 -0.82 -0.01 0.00 0.35 0.00 0.00 39.48 39.20 2kbo n PHE 160 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2kbo s VAL 161 N -2.41 2.60 0.00 -2.13 1.01 0.61 -4.85 120.40 115.24 2kbo s VAL 161 Ca -0.14 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2kbo s VAL 161 Cb 0.06 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2kbo s VAL 161 CO 0.63 0.13 0.76 -0.67 0.00 0.00 0.00 175.10 175.94 2kbo n ASP 162 N 0.56 2.23 -3.29 3.32 2.03 -1.26 -4.39 116.55 115.75 2kbo n ASP 162 Ca 0.01 -1.44 -0.05 0.00 0.52 0.00 0.00 54.79 53.82 2kbo n ASP 162 Cb 0.42 -0.39 -0.06 0.00 -0.72 0.00 0.00 41.12 40.37 2kbo n ASP 162 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2kbo s HIS 163 N 0.33 -1.06 -1.91 -0.67 0.09 -1.26 -4.98 115.29 105.83 2kbo s HIS 163 Ca 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 55.06 56.10 2kbo s HIS 163 Cb 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 32.58 32.74 2kbo s HIS 163 CO 0.00 -0.79 0.33 1.04 -0.00 0.00 0.00 174.74 175.32 2kbo n GLN 164 N 5.38 0.34 -2.71 1.40 6.02 -1.26 -2.39 117.38 124.17 2kbo n GLN 164 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.91 2kbo n GLN 164 Cb 0.50 -1.01 0.08 0.00 1.02 0.00 0.00 30.24 30.83 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 -0.12 1.61 3.33 1.08 0.00 -1.26 -4.77 105.19 105.06 2kbo n GLY 165 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 0.87 0.60 -1.53 0.00 -0.04 -1.26 -4.84 135.00 128.80 2kbo n PRO 167 Ca 0.09 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 2kbo n PRO 167 Cb 0.47 -1.47 0.08 0.00 -0.04 0.00 0.00 33.50 32.54 2kbo n PRO 167 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2kbo s PHE 168 N -2.00 2.28 0.05 0.54 2.19 -1.26 -5.05 117.98 114.73 2kbo s PHE 168 Ca 0.27 1.59 -0.03 0.00 0.33 0.00 0.00 56.93 59.09 2kbo s PHE 168 Cb 0.12 -3.33 -0.03 0.00 -1.31 0.00 0.00 43.02 38.47 2kbo s PHE 168 CO 0.21 -2.22 0.02 -0.65 1.83 0.00 0.00 175.22 174.41 2kbo s GLN 169 N -4.04 0.63 0.15 10.12 -0.21 -1.26 -4.97 119.66 120.08 2kbo s GLN 169 Ca 0.71 -1.10 -0.30 0.00 0.02 0.00 0.00 55.36 54.69 2kbo s GLN 169 Cb -0.25 0.23 -0.07 0.00 1.00 0.00 0.00 33.01 33.92 2kbo s GLN 169 CO 0.44 -0.14 0.95 -1.25 -2.12 0.00 0.00 175.29 173.18 2kbo s PRO 170 N -3.65 4.75 0.15 2.91 0.04 -1.26 -5.06 135.00 132.88 2kbo s PRO 170 Ca 0.04 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.58 2kbo s PRO 170 Cb 0.06 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2kbo s PRO 170 CO -0.09 0.31 0.20 1.67 0.04 0.00 0.00 177.00 179.13 2kbo s TRP 171 N -0.38 3.31 -0.62 0.56 -2.14 -1.26 -4.97 118.94 113.44 2kbo s TRP 171 Ca 0.45 0.05 -0.16 0.00 2.66 0.00 0.00 56.10 59.11 2kbo s TRP 171 Cb -0.24 -1.59 -0.14 0.00 -3.10 0.00 0.00 33.47 28.40 2kbo s TRP 171 CO 0.30 0.52 1.83 -0.40 -2.66 0.00 0.00 176.95 176.55 2kbo n ASP 172 N -0.38 2.74 0.00 -2.66 5.68 -1.26 -2.20 116.55 118.47 2kbo n ASP 172 Ca -0.08 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.74 2kbo n ASP 172 Cb 0.54 -0.95 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 2kbo n ASP 172 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kbo n GLY 173 N 4.30 0.20 0.53 6.12 0.00 -1.26 -4.87 105.19 110.21 2kbo n GLY 173 Ca 0.42 -0.11 0.33 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.29 0.00 0.17 0.99 4.77 -0.93 0.42 117.00 121.12 2kbo n LEU 174 Ca 0.00 0.74 -0.07 0.00 -0.03 0.00 0.00 56.01 56.66 2kbo n LEU 174 Cb 0.00 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2kbo n LEU 174 CO 0.00 -0.74 0.49 -2.24 -1.33 0.00 0.00 177.39 173.56 2kbo h ASP 175 N 0.00 -0.37 -0.75 -1.43 2.03 -1.89 0.60 116.42 114.60 2kbo h ASP 175 Ca 0.58 0.01 0.16 0.00 -0.73 0.00 0.00 57.03 57.05 2kbo h ASP 175 Cb 2.87 0.10 -0.10 0.00 -0.83 0.00 0.00 39.33 41.36 2kbo h ASP 175 CO -0.01 -0.26 0.25 -0.08 -1.03 0.00 0.00 179.24 178.11 2kbo h GLU 176 N -0.46 0.34 0.00 4.15 4.57 -0.41 0.28 114.58 123.06 2kbo h GLU 176 Ca -0.05 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2kbo h GLU 176 Cb 0.34 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2kbo h GLU 176 CO 0.07 0.23 0.00 0.72 -1.18 0.00 0.00 179.01 178.85 2kbo n HIS 177 N -5.08 0.00 -0.25 0.92 8.25 -0.90 -2.06 115.22 116.11 2kbo n HIS 177 Ca 0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.51 2kbo n HIS 177 Cb 0.45 -0.39 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.63 -0.88 0.41 0.87 0.38 0.18 113.55 112.88 2kbo h SER 178 Ca 0.00 0.24 0.11 0.00 -1.23 0.00 0.00 61.79 60.91 2kbo h SER 178 Cb 0.00 0.70 -0.13 0.00 -0.44 0.00 0.00 62.40 62.54 2kbo h SER 178 CO 0.00 -0.24 -0.41 1.67 -0.53 0.00 0.00 176.83 177.33 2kbo n GLN 179 N -4.80 -0.27 0.22 2.24 7.27 0.98 0.28 117.38 123.30 2kbo n GLN 179 Ca -0.00 1.34 -0.17 0.00 0.07 0.00 0.00 57.00 58.24 2kbo n GLN 179 Cb 0.23 -1.98 -0.10 0.00 2.41 0.00 0.00 30.24 30.81 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 -1.44 0.13 1.69 1.82 -0.41 0.40 116.42 118.61 2kbo h ASP 180 Ca 0.24 0.13 0.02 0.00 -0.39 0.00 0.00 57.03 57.03 2kbo h ASP 180 Cb 0.46 0.50 -0.03 0.00 0.68 0.00 0.00 39.33 40.94 2kbo h ASP 180 CO -0.85 -0.61 -0.26 0.25 -1.61 0.00 0.00 179.24 176.15 2kbo h LEU 181 N -0.89 -0.73 0.03 2.28 6.46 -0.10 -1.82 115.31 120.53 2kbo h LEU 181 Ca -0.04 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2kbo h LEU 181 Cb 0.81 0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 41.02 2kbo h LEU 181 CO -0.15 -0.35 -0.02 0.77 -0.62 0.00 0.00 178.44 178.07 2kbo h SER 182 N -0.47 -0.06 -1.62 1.25 4.64 -0.02 0.62 113.55 117.89 2kbo h SER 182 Ca 0.03 0.00 0.50 0.00 -0.47 0.00 0.00 61.79 61.85 2kbo h SER 182 Cb 0.49 0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.51 2kbo h SER 182 CO -0.14 -0.03 1.13 0.61 -0.87 0.00 0.00 176.83 177.52 2kbo n GLY 183 N -1.03 -0.86 0.04 -0.77 0.00 0.14 -0.53 105.19 102.18 2kbo n GLY 183 Ca -0.01 0.66 -0.01 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.85 1.61 2.47 -0.42 -1.73 114.38 115.41 2kbo h ARG 184 Ca 0.85 0.00 0.26 0.00 -1.26 0.00 0.00 59.98 59.84 2kbo h ARG 184 Cb 3.16 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 31.34 2kbo h ARG 184 CO -0.17 -0.03 0.12 -0.11 0.56 0.00 0.00 179.97 180.34 2kbo n LEU 185 N -3.17 -0.00 0.16 3.04 7.94 0.21 0.28 117.00 125.45 2kbo n LEU 185 Ca -0.01 1.44 -0.09 0.00 -1.11 0.00 0.00 56.01 56.25 2kbo n LEU 185 Cb 0.02 -0.57 -0.05 0.00 0.53 0.00 0.00 43.42 43.36 2kbo n LEU 185 CO 0.02 -1.50 0.51 0.03 -1.11 0.00 0.00 177.39 175.34 2kbo h ARG 186 N 0.00 -0.49 -0.19 1.96 -0.00 -1.05 -2.26 114.38 112.35 2kbo h ARG 186 Ca 0.57 0.03 0.02 0.00 -0.50 0.00 0.00 59.98 60.10 2kbo h ARG 186 Cb 1.27 0.11 -0.03 0.00 0.00 0.00 0.00 29.97 31.32 2kbo h ARG 186 CO -0.77 -0.33 -0.19 0.00 0.00 0.00 0.00 179.97 178.69 2kbo h ALA 187 N -1.42 -0.38 -0.98 0.04 0.00 0.50 1.39 119.26 118.41 2kbo h ALA 187 Ca -0.04 0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.19 2kbo h ALA 187 Cb 0.43 0.93 -0.15 0.00 0.00 0.00 0.00 17.79 19.00 2kbo h ALA 187 CO -0.00 -0.48 0.49 -0.84 0.00 0.00 0.00 179.25 178.41 2kbo h ILE 188 N -0.09 0.29 0.17 0.00 -0.00 0.28 1.45 117.51 119.61 2kbo h ILE 188 Ca 0.03 -0.10 -0.01 0.00 -0.00 0.00 0.00 64.86 64.79 2kbo h ILE 188 Cb 0.18 -0.02 0.00 0.00 -0.00 0.00 0.00 36.82 36.98 2kbo h ILE 188 CO -0.23 0.05 -0.08 0.25 -0.00 0.00 0.00 178.15 178.14 2kbo h LEU 189 N 0.29 -0.19 -0.62 0.16 5.85 -0.53 -3.19 115.31 117.07 2kbo h LEU 189 Ca 0.70 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 59.26 2kbo h LEU 189 Cb 1.56 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.64 2kbo h LEU 189 CO -0.63 0.34 0.00 0.00 -0.34 0.00 0.00 178.44 177.81 2kbo n GLN 190 N -4.91 0.49 -2.26 1.25 6.02 0.46 -4.85 117.38 113.57 2kbo n GLN 190 Ca -0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.86 2kbo n GLN 190 Cb 0.17 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 -0.03 -1.30 -4.55 1.08 5.15 0.49 -4.59 115.26 111.51 2kbo n ASN 191 Ca 0.00 -0.15 -0.29 0.00 -0.60 0.00 0.00 54.58 53.54 2kbo n ASN 191 Cb 0.08 -0.40 -0.04 0.00 -0.53 0.00 0.00 39.78 38.88 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 -1.74 2.04 0.58 1.20 -0.44 -1.03 -4.93 119.66 115.35 2kbo s GLN 192 Ca 0.05 0.89 -0.07 0.00 -2.50 0.00 0.00 55.36 53.73 2kbo s GLN 192 Cb -0.00 -4.66 0.10 0.00 -1.64 0.00 0.00 33.01 26.81 2kbo s GLN 192 CO 0.23 -3.59 0.24 0.39 0.50 0.00 0.00 175.29 173.05 2kbo n GLU 193 N 8.96 -0.52 0.00 1.67 1.02 -1.26 -5.06 120.64 125.46 2kbo n GLU 193 Ca 0.38 -0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2kbo n GLU 193 Cb 0.50 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 2kbo n GLU 193 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60