#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8i s ASN 12 N 0.00 6.45 -0.01 1.69 0.01 -1.26 -5.11 114.94 116.72 1k8i s ASN 12 Ca 0.00 0.76 -0.07 0.00 -0.71 0.00 0.00 52.86 52.84 1k8i s ASN 12 Cb 0.00 -2.16 0.00 0.00 0.41 0.00 0.00 41.25 39.50 1k8i s ASN 12 CO 0.00 -0.22 0.13 -1.00 -1.51 0.00 0.00 177.10 174.50 1k8i s HIS 13 N -2.12 0.02 -0.16 2.20 3.76 -1.26 -5.10 115.29 112.63 1k8i s HIS 13 Ca 0.45 -0.07 0.02 0.00 -0.15 0.00 0.00 55.06 55.30 1k8i s HIS 13 Cb -0.11 -0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.56 1k8i s HIS 13 CO 0.30 -0.25 -0.20 0.99 -0.85 0.00 0.00 174.74 174.73 1k8i s THR 14 N -1.16 2.01 -0.24 1.30 2.01 -1.26 -4.98 115.64 113.33 1k8i s THR 14 Ca -0.12 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.87 1k8i s THR 14 Cb -0.07 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1k8i s THR 14 CO 0.01 0.54 0.08 0.12 -0.69 0.00 0.00 174.62 174.68 1k8i s PHE 15 N 1.11 3.12 -0.07 4.92 5.36 -1.26 -0.76 117.98 130.41 1k8i s PHE 15 Ca 0.00 -0.29 0.04 0.00 -0.96 0.00 0.00 56.93 55.72 1k8i s PHE 15 Cb -0.14 -2.23 -0.02 0.00 -0.34 0.00 0.00 43.02 40.29 1k8i s PHE 15 CO -0.08 -0.27 -0.19 0.50 -1.46 0.00 0.00 175.22 173.72 1k8i s ARG 16 N 1.46 2.70 -0.53 10.12 3.52 -0.48 -4.97 118.95 130.78 1k8i s ARG 16 Ca 0.06 -0.79 0.04 0.00 -0.13 0.00 0.00 55.73 54.90 1k8i s ARG 16 Cb -0.15 -2.33 0.14 0.00 -1.56 0.00 0.00 34.95 31.06 1k8i s ARG 16 CO 0.04 0.43 0.31 -1.58 -0.81 0.00 0.00 175.30 173.69 1k8i s HIS 17 N -0.24 2.82 -0.22 5.12 5.65 -1.26 -0.76 115.29 126.40 1k8i s HIS 17 Ca -0.00 -2.95 -0.11 0.00 0.25 0.00 0.00 55.06 52.24 1k8i s HIS 17 Cb -0.13 -2.43 -0.05 0.00 -1.18 0.00 0.00 32.58 28.79 1k8i s HIS 17 CO 0.03 -0.71 0.20 0.99 -0.65 0.00 0.00 174.74 174.59 1k8i s THR 18 N -0.34 5.35 -0.05 0.89 2.01 -0.47 -4.96 115.64 118.07 1k8i s THR 18 Ca 0.20 0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.53 1k8i s THR 18 Cb -0.19 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1k8i s THR 18 CO -0.04 0.36 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.80 1k8i s LEU 19 N 0.88 2.26 0.06 4.42 0.20 -1.26 -0.83 118.68 124.42 1k8i s LEU 19 Ca 0.10 -0.42 -0.04 0.00 0.69 0.00 0.00 54.13 54.46 1k8i s LEU 19 Cb -0.13 -1.42 -0.02 0.00 -0.43 0.00 0.00 46.19 44.18 1k8i s LEU 19 CO 0.03 0.28 0.05 0.72 -0.29 0.00 0.00 176.35 177.14 1k8i s PHE 20 N -0.34 0.37 0.02 5.38 -0.12 -0.07 -5.01 117.98 118.21 1k8i s PHE 20 Ca 0.02 -0.85 -0.06 0.00 -0.05 0.00 0.00 56.93 55.99 1k8i s PHE 20 Cb -0.12 -0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.00 1k8i s PHE 20 CO 0.02 -0.43 0.10 0.00 -0.05 0.00 0.00 175.22 174.86 1k8i n GLN 22 N 1.18 0.02 -3.98 0.00 10.64 -1.08 -4.98 117.38 119.19 1k8i n GLN 22 Ca -0.21 -0.04 -0.34 0.00 -1.83 0.00 0.00 57.00 54.57 1k8i n GLN 22 Cb 0.57 0.05 -0.15 0.00 -0.86 0.00 0.00 30.24 29.85 1k8i n GLN 22 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 1k8i s ASP 23 N -1.05 4.06 0.00 2.61 -4.77 -1.26 -4.57 116.67 111.69 1k8i s ASP 23 Ca 0.00 -0.71 0.00 0.00 -3.30 0.00 0.00 52.55 48.54 1k8i s ASP 23 Cb -0.00 -1.64 0.00 0.00 -1.09 0.00 0.00 42.92 40.19 1k8i s ASP 23 CO 0.00 -0.07 0.00 0.61 0.70 0.00 0.00 175.17 176.41 1k8i n GLY 24 N 4.69 3.15 5.61 2.12 0.00 -1.26 -4.97 105.19 114.53 1k8i n GLY 24 Ca -0.18 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1k8i n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k8i n ILE 25 N -0.80 0.00 -3.21 -0.61 2.08 -1.26 -1.93 119.36 113.63 1k8i n ILE 25 Ca 0.00 0.00 -0.44 0.00 0.56 0.00 0.00 62.75 62.87 1k8i n ILE 25 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 38.83 1k8i n ILE 25 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1k8i s PRO 26 N 0.00 3.06 0.00 0.38 0.05 -1.26 -4.84 135.00 132.39 1k8i s PRO 26 Ca 0.00 -1.16 0.11 0.00 0.05 0.00 0.00 61.00 60.01 1k8i s PRO 26 Cb 0.00 -4.16 0.67 0.00 0.05 0.00 0.00 34.50 31.06 1k8i s PRO 26 CO 0.00 -1.27 1.12 0.27 0.05 0.00 0.00 177.00 177.18 1k8i n ASN 27 N 5.93 0.00 -3.64 6.66 6.94 -0.81 -4.64 115.26 125.70 1k8i n ASN 27 Ca -0.09 -0.32 -0.09 0.00 -0.02 0.00 0.00 54.58 54.06 1k8i n ASN 27 Cb 0.44 -0.02 -0.07 0.00 -2.36 0.00 0.00 39.78 37.77 1k8i n ASN 27 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1k8i s ILE 28 N -2.04 0.00 0.15 1.53 2.07 -1.26 -2.62 121.20 119.03 1k8i s ILE 28 Ca 0.17 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.23 1k8i s ILE 28 Cb 0.08 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.70 1k8i s ILE 28 CO 0.13 0.00 0.45 -0.83 -1.91 0.00 0.00 174.94 172.79 1k8i s GLY 29 N 0.51 -0.25 -0.02 1.50 0.00 -0.10 -4.98 107.32 103.99 1k8i s GLY 29 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.69 1k8i s GLY 29 CO -0.07 -0.25 -0.03 -2.27 0.00 0.00 0.00 173.10 170.48 1k8i s LEU 30 N -2.82 1.60 -0.07 0.66 1.98 -1.26 -0.89 118.68 117.88 1k8i s LEU 30 Ca 0.05 -0.08 -0.02 0.00 -2.89 0.00 0.00 54.13 51.18 1k8i s LEU 30 Cb 0.01 -0.29 0.04 0.00 0.66 0.00 0.00 46.19 46.60 1k8i s LEU 30 CO -0.09 -0.01 0.06 -0.55 -1.89 0.00 0.00 176.35 173.86 1k8i s SER 31 N 0.47 1.48 -0.25 3.68 0.15 -0.01 -2.82 113.70 116.39 1k8i s SER 31 Ca -0.05 -0.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.46 1k8i s SER 31 Cb -0.09 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.02 1k8i s SER 31 CO -0.00 -0.26 -0.01 -1.61 1.20 0.00 0.00 173.24 172.56 1k8i s GLU 32 N 2.13 3.10 0.48 5.44 2.02 -0.84 -1.36 118.70 129.67 1k8i s GLU 32 Ca 0.04 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.25 1k8i s GLU 32 Cb -0.13 -3.13 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 1k8i s GLU 32 CO -0.05 -0.35 0.10 0.95 0.02 0.00 0.00 175.26 175.94 1k8i s THR 33 N 1.44 1.58 -0.24 3.63 -4.23 0.06 -0.30 115.64 117.57 1k8i s THR 33 Ca 0.03 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 58.65 1k8i s THR 33 Cb -0.16 -2.44 0.13 0.00 1.34 0.00 0.00 72.50 71.37 1k8i s THR 33 CO -0.02 0.00 0.37 -0.47 -0.54 0.00 0.00 174.62 173.96 1k8i s TYR 34 N -2.79 -0.79 -1.32 3.99 5.04 -0.75 -1.38 117.35 119.36 1k8i s TYR 34 Ca 0.21 0.78 -0.09 0.00 -2.44 0.00 0.00 57.07 55.53 1k8i s TYR 34 Cb 0.03 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.33 1k8i s TYR 34 CO 0.12 -0.72 1.13 -0.25 -1.34 0.00 0.00 175.55 174.50 1k8i n ASP 35 N 5.36 -6.26 0.00 4.32 8.00 0.07 -2.40 116.55 125.64 1k8i n ASP 35 Ca -0.04 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1k8i n ASP 35 Cb 0.50 -4.89 0.00 0.00 -0.02 0.00 0.00 41.12 36.71 1k8i n ASP 35 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k8i n GLU 36 N -4.84 0.00 -2.91 -1.24 -0.58 -1.26 -4.99 120.64 104.82 1k8i n GLU 36 Ca 0.01 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 1k8i n GLU 36 Cb 0.56 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.86 1k8i n GLU 36 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1k8i s ASP 37 N -1.12 7.20 0.02 1.62 1.01 -1.01 -4.98 116.67 119.41 1k8i s ASP 37 Ca 0.00 1.45 -0.30 0.00 0.71 0.00 0.00 52.55 54.40 1k8i s ASP 37 Cb 0.00 -2.49 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 1k8i s ASP 37 CO 0.00 -0.10 1.42 -0.70 0.21 0.00 0.00 175.17 176.00 1k8i s GLU 38 N 0.47 4.28 -0.05 8.23 2.12 -1.26 -1.80 118.70 130.69 1k8i s GLU 38 Ca 0.42 2.01 -0.03 0.00 0.36 0.00 0.00 54.97 57.73 1k8i s GLU 38 Cb -0.20 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1k8i s GLU 38 CO 0.23 -0.57 0.15 -0.07 -0.54 0.00 0.00 175.26 174.46 1k8i h LEU 39 N 8.19 -0.08 -7.00 2.70 -0.00 -0.98 -3.42 115.31 114.72 1k8i h LEU 39 Ca -0.39 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.44 1k8i h LEU 39 Cb 1.18 0.02 -0.19 0.00 -0.00 0.00 0.00 40.66 41.67 1k8i h LEU 39 CO 0.90 0.20 0.18 0.72 -0.00 0.00 0.00 178.44 180.44 1k8i s PHE 40 N -1.71 -0.68 0.00 1.13 -0.12 -1.08 -0.76 117.98 114.76 1k8i s PHE 40 Ca -0.01 1.25 0.00 0.00 -0.05 0.00 0.00 56.93 58.11 1k8i s PHE 40 Cb 0.00 0.39 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1k8i s PHE 40 CO 0.04 -0.57 0.00 -1.13 -0.05 0.00 0.00 175.22 173.51 1k8i n SER 41 N 1.18 0.00 -3.71 1.98 3.41 -0.86 -1.99 113.62 113.63 1k8i n SER 41 Ca -0.18 -0.23 -0.13 0.00 -0.26 0.00 0.00 58.87 58.07 1k8i n SER 41 Cb 0.57 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.38 1k8i n SER 41 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1k8i s PHE 42 N 1.27 -0.34 -0.36 7.33 2.19 -1.13 -1.26 117.98 125.69 1k8i s PHE 42 Ca 0.00 0.81 -0.21 0.00 0.33 0.00 0.00 56.93 57.86 1k8i s PHE 42 Cb 0.00 0.00 0.01 0.00 -1.31 0.00 0.00 43.02 41.72 1k8i s PHE 42 CO 0.00 -0.26 0.69 0.34 1.83 0.00 0.00 175.22 177.81 1k8i s ASP 43 N 1.60 6.46 0.10 6.13 3.68 0.21 -4.52 116.67 130.34 1k8i s ASP 43 Ca -0.06 0.19 0.26 0.00 2.13 0.00 0.00 52.55 55.07 1k8i s ASP 43 Cb -0.11 -2.35 1.00 0.00 -1.45 0.00 0.00 42.92 40.01 1k8i s ASP 43 CO -0.08 -0.65 1.81 0.49 0.13 0.00 0.00 175.17 176.87 1k8i n PHE 44 N 6.18 0.43 -0.00 -5.34 3.72 -1.26 -1.04 117.46 120.14 1k8i n PHE 44 Ca 0.00 0.13 -0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1k8i n PHE 44 Cb 0.48 -0.71 -0.00 0.00 -0.94 0.00 0.00 39.48 38.31 1k8i n PHE 44 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1k8i h SER 45 N 0.00 -0.00 0.30 4.37 0.02 -1.94 -3.32 113.55 112.97 1k8i h SER 45 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1k8i h SER 45 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1k8i h SER 45 CO 0.00 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 1k8i n GLN 46 N -2.15 0.21 -3.54 3.45 3.00 -1.25 -4.87 117.38 112.22 1k8i n GLN 46 Ca -0.00 0.14 -0.21 0.00 -0.01 0.00 0.00 57.00 56.92 1k8i n GLN 46 Cb 0.00 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.79 1k8i n GLN 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1k8i n ASN 47 N -1.29 -3.67 -3.77 1.08 2.85 -0.21 -5.01 115.26 105.24 1k8i n ASN 47 Ca 0.07 -0.81 -0.09 0.00 -0.11 0.00 0.00 54.58 53.64 1k8i n ASN 47 Cb 0.12 -4.34 -0.06 0.00 1.24 0.00 0.00 39.78 36.74 1k8i n ASN 47 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1k8i s THR 48 N -3.51 0.11 0.51 -0.44 -1.32 -0.29 -4.99 115.64 105.71 1k8i s THR 48 Ca 0.23 -0.94 -0.15 0.00 -1.21 0.00 0.00 61.69 59.62 1k8i s THR 48 Cb -0.05 -1.26 -0.07 0.00 -1.51 0.00 0.00 72.50 69.60 1k8i s THR 48 CO 0.79 -0.52 0.96 -0.13 -2.21 0.00 0.00 174.62 173.52 1k8i s ARG 49 N -3.79 3.90 -0.19 7.08 0.52 -1.26 0.66 118.95 125.86 1k8i s ARG 49 Ca 0.04 0.88 -0.00 0.00 -0.52 0.00 0.00 55.73 56.13 1k8i s ARG 49 Cb 0.04 -2.16 0.05 0.00 0.52 0.00 0.00 34.95 33.39 1k8i s ARG 49 CO -0.11 -0.27 -0.06 0.08 0.02 0.00 0.00 175.30 174.96 1k8i s VAL 50 N -2.64 1.28 0.29 3.52 1.01 -0.39 -4.80 120.40 118.68 1k8i s VAL 50 Ca 0.58 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1k8i s VAL 50 Cb -0.10 -1.48 -0.11 0.00 0.00 0.00 0.00 36.38 34.69 1k8i s VAL 50 CO 0.33 0.06 1.51 -2.16 0.00 0.00 0.00 175.10 174.85 1k8i s PRO 51 N 1.54 4.18 0.45 2.72 0.04 -1.26 -2.03 135.00 140.63 1k8i s PRO 51 Ca -0.01 2.47 0.25 0.00 0.04 0.00 0.00 61.00 63.74 1k8i s PRO 51 Cb -0.16 -3.05 0.88 0.00 0.04 0.00 0.00 34.50 32.21 1k8i s PRO 51 CO -0.07 -0.52 1.80 -0.09 0.04 0.00 0.00 177.00 178.16 1k8i h ARG 52 N 4.55 0.00 -3.53 4.56 9.65 -1.20 -3.44 114.38 124.98 1k8i h ARG 52 Ca -0.47 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.22 1k8i h ARG 52 Cb 1.22 0.00 -0.25 0.00 -1.39 0.00 0.00 29.97 29.55 1k8i h ARG 52 CO 0.76 0.19 -0.59 -0.51 2.80 0.00 0.00 179.97 182.62 1k8i s LEU 53 N -6.61 1.65 0.49 3.80 1.43 -1.26 -5.03 118.68 113.16 1k8i s LEU 53 Ca 0.01 0.08 0.21 0.00 -1.03 0.00 0.00 54.13 53.41 1k8i s LEU 53 Cb 0.09 0.39 1.27 0.00 0.03 0.00 0.00 46.19 47.97 1k8i s LEU 53 CO 0.63 -0.11 1.98 -0.65 0.23 0.00 0.00 176.35 178.43 1k8i h PRO 54 N 5.59 0.14 -1.02 1.29 0.11 -1.99 0.22 132.00 136.35 1k8i h PRO 54 Ca -0.26 -0.01 0.26 0.00 0.11 0.00 0.00 66.00 66.10 1k8i h PRO 54 Cb 1.20 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1k8i h PRO 54 CO 0.43 0.09 0.67 -0.44 -0.21 0.00 0.00 178.00 178.55 1k8i h ASP 55 N 0.15 0.39 0.14 -2.05 5.19 -1.98 -2.89 116.42 115.37 1k8i h ASP 55 Ca 0.28 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.75 1k8i h ASP 55 Cb 0.90 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.41 1k8i h ASP 55 CO -0.04 0.09 -0.07 -0.26 -3.12 0.00 0.00 179.24 175.85 1k8i h PHE 56 N 0.35 -0.18 0.00 4.55 0.04 -0.95 -3.43 116.94 117.32 1k8i h PHE 56 Ca 0.56 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.32 1k8i h PHE 56 Cb 1.50 0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.71 1k8i h PHE 56 CO -0.00 -0.07 0.00 0.00 -0.60 0.00 0.00 178.31 177.64 1k8i n ALA 57 N -2.75 0.00 -0.34 2.45 0.00 -1.09 -1.46 120.51 117.31 1k8i n ALA 57 Ca -0.03 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.66 1k8i n ALA 57 Cb 0.10 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.04 1k8i n ALA 57 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1k8i h GLU 58 N 0.00 0.30 0.00 0.00 5.08 -1.84 -0.65 114.58 117.47 1k8i h GLU 58 Ca 0.00 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1k8i h GLU 58 Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1k8i h GLU 58 CO 0.00 0.20 -0.89 -1.49 -1.00 0.00 0.00 179.01 175.83 1k8i h TRP 59 N 0.31 0.00 0.00 4.33 6.55 -1.62 -3.06 115.95 122.47 1k8i h TRP 59 Ca 0.73 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.57 1k8i h TRP 59 Cb 1.74 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.04 1k8i h TRP 59 CO -0.01 0.67 0.00 0.00 -1.05 0.00 0.00 178.44 178.05 1k8i h ALA 60 N 1.33 1.00 0.42 1.49 0.00 -1.32 -3.18 119.26 119.01 1k8i h ALA 60 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1k8i h ALA 60 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1k8i h ALA 60 CO 0.08 0.00 -0.20 0.37 0.00 0.00 0.00 179.25 179.49 1k8i h GLN 61 N 0.00 -0.55 0.00 0.00 5.75 -1.28 -3.39 115.11 115.64 1k8i h GLN 61 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1k8i h GLN 61 Cb 0.59 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.26 1k8i h GLN 61 CO 0.00 -0.24 0.00 0.41 -2.65 0.00 0.00 178.83 176.35 1k8i n GLY 62 N -0.42 0.85 4.52 2.39 0.00 -1.20 -4.76 105.19 106.56 1k8i n GLY 62 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1k8i n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k8i n GLN 63 N 0.00 0.00 -2.73 1.61 6.02 -1.26 -4.72 117.38 116.30 1k8i n GLN 63 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 1k8i n GLN 63 Cb 0.00 -0.81 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 1k8i n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k8i n GLY 64 N 0.00 -0.21 0.39 1.08 0.00 -1.26 -4.72 105.19 100.47 1k8i n GLY 64 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1k8i n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k8i n ASP 65 N -0.80 1.05 -0.28 1.61 5.75 -1.26 -4.51 116.55 118.11 1k8i n ASP 65 Ca 0.05 -2.04 0.24 0.00 -0.01 0.00 0.00 54.79 53.03 1k8i n ASP 65 Cb 0.23 -0.19 0.44 0.00 -1.03 0.00 0.00 41.12 40.57 1k8i n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k8i n ALA 66 N -0.02 0.77 0.24 2.12 0.00 -1.26 -0.29 120.51 122.07 1k8i n ALA 66 Ca 0.05 0.89 0.10 0.00 0.00 0.00 0.00 53.44 54.49 1k8i n ALA 66 Cb 0.19 -0.83 0.67 0.00 0.00 0.00 0.00 19.45 19.49 1k8i n ALA 66 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k8i h SER 67 N 0.00 0.00 0.07 0.00 4.64 -2.00 0.05 113.55 116.31 1k8i h SER 67 Ca 0.68 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1k8i h SER 67 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1k8i h SER 67 CO -0.71 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.22 1k8i h ALA 68 N 1.97 -0.10 -0.68 5.18 0.00 -1.02 -2.94 119.26 121.67 1k8i h ALA 68 Ca 0.03 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.83 1k8i h ALA 68 Cb 0.11 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.82 1k8i h ALA 68 CO -0.00 -0.13 -0.04 0.82 0.00 0.00 0.00 179.25 179.90 1k8i h ILE 69 N -0.94 0.40 -0.19 0.00 5.03 -1.46 0.43 117.51 120.78 1k8i h ILE 69 Ca -0.01 -0.03 0.05 0.00 -0.12 0.00 0.00 64.86 64.76 1k8i h ILE 69 Cb 0.53 0.31 -0.06 0.00 -3.03 0.00 0.00 36.82 34.57 1k8i h ILE 69 CO 0.02 0.01 -0.25 0.00 -0.68 0.00 0.00 178.15 177.25 1k8i h ALA 70 N 1.64 -0.19 -0.28 1.87 0.00 -1.08 0.30 119.26 121.53 1k8i h ALA 70 Ca 0.35 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1k8i h ALA 70 Cb 0.58 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1k8i h ALA 70 CO -0.62 -0.69 0.06 0.35 0.00 0.00 0.00 179.25 178.35 1k8i h PHE 71 N -0.28 0.48 0.17 0.00 3.04 -0.50 -1.50 116.94 118.35 1k8i h PHE 71 Ca 0.12 -0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1k8i h PHE 71 Cb 0.47 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 1k8i h PHE 71 CO -0.38 0.54 -0.31 -0.44 -2.02 0.00 0.00 178.31 175.70 1k8i h ASP 72 N 0.28 -0.87 -0.46 0.41 3.32 0.05 -0.31 116.42 118.84 1k8i h ASP 72 Ca 0.09 0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.31 1k8i h ASP 72 Cb 0.30 0.32 -0.10 0.00 0.22 0.00 0.00 39.33 40.08 1k8i h ASP 72 CO 0.00 -0.41 -0.39 0.50 -1.72 0.00 0.00 179.24 177.22 1k8i h LYS 73 N -0.56 -0.26 -0.01 3.56 3.64 -0.25 0.12 116.57 122.81 1k8i h LYS 73 Ca 0.02 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1k8i h LYS 73 Cb 0.57 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 1k8i h LYS 73 CO -0.15 -0.17 -0.21 0.77 -2.27 0.00 0.00 179.45 177.42 1k8i h SER 74 N -0.27 -0.61 -0.95 4.20 0.02 -1.05 0.13 113.55 115.03 1k8i h SER 74 Ca 0.17 0.09 0.11 0.00 -0.84 0.00 0.00 61.79 61.32 1k8i h SER 74 Cb 0.57 0.25 -0.08 0.00 0.14 0.00 0.00 62.40 63.28 1k8i h SER 74 CO -0.60 -0.27 0.58 0.15 -1.14 0.00 0.00 176.83 175.55 1k8i h PHE 75 N -0.32 1.06 0.36 3.45 3.57 0.34 0.26 116.94 125.65 1k8i h PHE 75 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1k8i h PHE 75 Cb 0.41 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1k8i h PHE 75 CO -0.26 0.42 -0.17 0.00 -2.23 0.00 0.00 178.31 176.07 1k8i h GLU 77 N -0.50 0.26 -0.03 0.00 5.08 -0.55 0.47 114.58 119.32 1k8i h GLU 77 Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1k8i h GLU 77 Cb 0.37 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1k8i h GLU 77 CO 0.08 0.17 0.02 1.98 -1.00 0.00 0.00 179.01 180.27 1k8i h MET 78 N 0.27 0.04 -0.69 2.33 4.05 -0.19 -0.12 114.93 120.62 1k8i h MET 78 Ca 0.61 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 60.02 1k8i h MET 78 Cb 1.79 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.55 1k8i h MET 78 CO -0.25 0.04 0.39 -0.07 0.23 0.00 0.00 176.91 177.26 1k8i h LEU 79 N 0.03 0.84 -1.19 3.39 3.38 0.73 -0.66 115.31 121.84 1k8i h LEU 79 Ca 0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1k8i h LEU 79 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1k8i h LEU 79 CO -0.00 0.67 -0.13 0.24 0.09 0.00 0.00 178.44 179.31 1k8i h MET 80 N 0.96 0.41 0.06 1.13 2.86 -0.78 -1.42 114.93 118.15 1k8i h MET 80 Ca 0.25 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1k8i h MET 80 Cb 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1k8i h MET 80 CO -0.04 0.54 -0.03 -0.09 1.06 0.00 0.00 176.91 178.35 1k8i h ARG 81 N 0.38 -0.08 0.00 1.72 2.43 0.37 -3.36 114.38 115.85 1k8i h ARG 81 Ca 0.07 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1k8i h ARG 81 Cb 0.46 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1k8i h ARG 81 CO 0.03 0.50 -0.35 0.93 -1.51 0.00 0.00 179.97 179.57 1k8i h GLU 82 N -0.74 0.00 0.06 0.20 4.39 -1.20 -3.40 114.58 113.89 1k8i h GLU 82 Ca -0.01 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1k8i h GLU 82 Cb 0.61 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 1k8i h GLU 82 CO 0.01 0.00 -0.43 0.28 -1.16 0.00 0.00 179.01 177.71 1k8i h VAL 83 N -0.70 0.14 -0.08 3.13 2.07 -1.47 -3.16 116.25 116.17 1k8i h VAL 83 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1k8i h VAL 83 Cb 0.35 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1k8i h VAL 83 CO 0.00 0.00 -0.07 0.28 0.02 0.00 0.00 177.57 177.80 1k8i h SER 84 N -0.62 -0.24 -0.97 0.57 0.02 -1.64 -1.66 113.55 108.99 1k8i h SER 84 Ca 0.03 0.03 0.32 0.00 -0.84 0.00 0.00 61.79 61.33 1k8i h SER 84 Cb 0.68 0.10 -0.16 0.00 0.14 0.00 0.00 62.40 63.16 1k8i h SER 84 CO -0.29 -0.04 0.46 -0.65 -1.14 0.00 0.00 176.83 175.17 1k8i h PRO 85 N -0.03 0.22 -0.20 3.45 0.11 -1.77 0.18 132.00 133.94 1k8i h PRO 85 Ca 0.01 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.16 1k8i h PRO 85 Cb 0.06 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.07 1k8i h PRO 85 CO -0.09 0.14 -0.17 -0.22 -0.21 0.00 0.00 178.00 177.46 1k8i h LYS 86 N 0.22 -0.17 -0.43 1.05 1.63 -1.27 -3.06 116.57 114.54 1k8i h LYS 86 Ca 0.71 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.52 1k8i h LYS 86 Cb 1.63 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.29 1k8i h LYS 86 CO -0.67 -0.11 0.00 1.47 -3.45 0.00 0.00 179.45 176.69 1k8i n LEU 87 N -5.32 3.84 -4.63 5.20 -0.00 0.41 -4.85 117.00 111.64 1k8i n LEU 87 Ca -0.01 -2.43 -0.43 0.00 -0.00 0.00 0.00 56.01 53.14 1k8i n LEU 87 Cb 0.24 -0.44 -0.03 0.00 -0.00 0.00 0.00 43.42 43.19 1k8i n LEU 87 CO 0.19 0.75 1.60 -1.61 -0.00 0.00 0.00 177.39 178.32 1k8i s GLU 88 N -1.79 3.71 0.00 1.47 0.41 -0.00 0.16 118.70 122.66 1k8i s GLU 88 Ca 0.38 2.11 0.00 0.00 -0.41 0.00 0.00 54.97 57.06 1k8i s GLU 88 Cb 0.26 -4.18 0.00 0.00 -1.78 0.00 0.00 34.13 28.42 1k8i s GLU 88 CO 0.17 -1.43 0.00 0.41 -0.49 0.00 0.00 175.26 173.93 1k8i n GLY 89 N 4.96 1.05 0.13 -1.39 0.00 -1.26 -4.87 105.19 103.80 1k8i n GLY 89 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1k8i n GLY 89 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1k8i h GLN 90 N 3.56 0.18 -5.54 1.61 4.15 -0.62 -3.48 115.11 114.98 1k8i h GLN 90 Ca 0.00 -0.30 -0.44 0.00 0.77 0.00 0.00 58.65 58.68 1k8i h GLN 90 Cb 0.00 0.11 -0.15 0.00 0.21 0.00 0.00 27.48 27.65 1k8i h GLN 90 CO 0.00 1.14 -0.74 0.96 -1.93 0.00 0.00 178.83 178.27 1k8i s ILE 91 N -2.49 1.66 0.44 2.39 -4.36 -1.14 -5.13 121.20 112.57 1k8i s ILE 91 Ca -0.24 -2.13 -0.25 0.00 -0.26 0.00 0.00 60.65 57.76 1k8i s ILE 91 Cb 0.06 -1.97 -0.08 0.00 1.25 0.00 0.00 42.46 41.73 1k8i s ILE 91 CO 0.71 -0.57 1.33 -2.16 0.24 0.00 0.00 174.94 174.49 1k8i s PRO 92 N -3.50 3.77 -0.15 0.37 0.04 -1.26 -4.92 135.00 129.35 1k8i s PRO 92 Ca 0.20 2.20 -0.22 0.00 0.04 0.00 0.00 61.00 63.22 1k8i s PRO 92 Cb -0.01 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 1k8i s PRO 92 CO 0.06 -0.67 0.67 0.14 0.04 0.00 0.00 177.00 177.23 1k8i s VAL 93 N -1.28 5.02 -0.44 -0.36 -7.23 -1.26 -5.00 120.40 109.85 1k8i s VAL 93 Ca 0.60 1.30 -0.28 0.00 -1.81 0.00 0.00 61.98 61.80 1k8i s VAL 93 Cb -0.39 -3.99 -0.01 0.00 0.56 0.00 0.00 36.38 32.56 1k8i s VAL 93 CO 0.49 0.15 1.65 -0.44 -0.31 0.00 0.00 175.10 176.64 1k8i s SER 94 N 1.04 5.93 0.06 4.85 0.01 -1.26 -4.95 113.70 119.38 1k8i s SER 94 Ca 0.32 0.84 0.04 0.00 1.31 0.00 0.00 55.95 58.46 1k8i s SER 94 Cb -0.16 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1k8i s SER 94 CO 0.13 -1.76 -0.01 -0.60 0.41 0.00 0.00 173.24 171.41 1k8i s ARG 95 N 5.70 2.60 -0.17 12.44 3.52 -1.26 -4.55 118.95 137.22 1k8i s ARG 95 Ca 0.68 -0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1k8i s ARG 95 Cb -0.16 -2.56 0.05 0.00 -1.56 0.00 0.00 34.95 30.71 1k8i s ARG 95 CO 0.30 0.56 -0.04 0.20 -0.81 0.00 0.00 175.30 175.51 1k8i s GLY 96 N -2.07 0.95 -0.20 8.12 0.00 0.11 -4.98 107.32 109.24 1k8i s GLY 96 Ca 0.24 -0.85 -0.29 0.00 0.00 0.00 0.00 44.72 43.81 1k8i s GLY 96 CO 0.16 1.00 1.80 1.08 0.00 0.00 0.00 173.10 177.14 1k8i s LEU 97 N 1.64 3.82 0.48 0.66 1.43 -1.26 -3.68 118.68 121.77 1k8i s LEU 97 Ca -0.00 1.76 -0.23 0.00 -1.03 0.00 0.00 54.13 54.63 1k8i s LEU 97 Cb -0.16 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 1k8i s LEU 97 CO -0.07 -1.42 1.23 -2.16 0.23 0.00 0.00 176.35 174.15 1k8i s PRO 98 N 5.09 3.60 -0.07 1.29 0.04 -1.25 -4.80 135.00 138.90 1k8i s PRO 98 Ca 0.80 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.81 1k8i s PRO 98 Cb -0.28 -2.39 -0.00 0.00 0.04 0.00 0.00 34.50 31.87 1k8i s PRO 98 CO 0.33 -0.73 -0.23 0.08 0.04 0.00 0.00 177.00 176.49 1k8i s VAL 99 N -1.46 1.93 -0.00 -0.36 1.01 0.67 -4.91 120.40 117.26 1k8i s VAL 99 Ca 0.65 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1k8i s VAL 99 Cb -0.32 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1k8i s VAL 99 CO 0.39 0.53 -0.17 0.00 0.00 0.00 0.00 175.10 175.85 1k8i s ALA 100 N 0.11 2.59 0.04 5.51 0.00 -1.26 -0.38 121.76 128.37 1k8i s ALA 100 Ca -0.10 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1k8i s ALA 100 Cb -0.15 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 1k8i s ALA 100 CO 0.06 0.56 -0.08 -1.21 0.00 0.00 0.00 175.76 175.09 1k8i s GLU 101 N -1.07 0.54 -0.01 0.00 2.02 -0.51 -4.70 118.70 114.97 1k8i s GLU 101 Ca 0.13 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.44 1k8i s GLU 101 Cb -0.10 -0.35 -0.01 0.00 0.10 0.00 0.00 34.13 33.77 1k8i s GLU 101 CO 0.03 0.07 -0.13 0.08 0.02 0.00 0.00 175.26 175.32 1k8i s VAL 102 N -1.25 1.04 0.29 2.63 1.01 -1.26 -0.89 120.40 121.96 1k8i s VAL 102 Ca -0.08 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 1k8i s VAL 102 Cb -0.09 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.46 1k8i s VAL 102 CO 0.00 0.30 0.79 0.72 0.00 0.00 0.00 175.10 176.91 1k8i s PHE 103 N -0.25 -0.08 0.05 5.22 -0.12 -1.00 -4.90 117.98 116.90 1k8i s PHE 103 Ca 0.04 -0.42 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 1k8i s PHE 103 Cb -0.06 0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 43.03 1k8i s PHE 103 CO -0.00 -1.26 0.17 0.95 -0.05 0.00 0.00 175.22 175.03 1k8i s THR 104 N -3.27 5.18 0.07 -4.49 -4.23 -1.26 -0.30 115.64 107.34 1k8i s THR 104 Ca 0.13 -0.44 -0.25 0.00 -1.18 0.00 0.00 61.69 59.95 1k8i s THR 104 Cb -0.05 -3.50 -0.16 0.00 1.34 0.00 0.00 72.50 70.13 1k8i s THR 104 CO 0.07 0.17 1.64 -0.07 -0.54 0.00 0.00 174.62 175.89 1k8i h LEU 105 N 3.26 -0.13 -9.65 4.79 3.38 -1.54 -3.43 115.31 111.98 1k8i h LEU 105 Ca -0.46 -0.07 -0.55 0.00 0.09 0.00 0.00 57.88 56.89 1k8i h LEU 105 Cb 1.16 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 1k8i h LEU 105 CO 0.72 -0.02 -0.61 -0.54 0.09 0.00 0.00 178.44 178.09 1k8i s LYS 106 N -5.85 2.54 0.97 1.13 1.02 -1.26 -5.08 119.74 113.21 1k8i s LYS 106 Ca -0.14 -1.20 -0.11 0.00 0.02 0.00 0.00 55.97 54.54 1k8i s LYS 106 Cb 0.05 -2.35 0.17 0.00 -0.52 0.00 0.00 37.83 35.17 1k8i s LYS 106 CO 0.65 0.40 1.05 -0.35 -0.92 0.00 0.00 175.35 176.18 1k8i n PRO 107 N -0.75 -0.83 -2.17 -1.68 -0.04 -1.26 -4.89 135.00 123.38 1k8i n PRO 107 Ca -0.08 -0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 62.78 1k8i n PRO 107 Cb 0.57 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 1k8i n PRO 107 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1k8i s LEU 108 N -6.22 4.32 -0.30 1.53 2.96 -1.26 -5.00 118.68 114.72 1k8i s LEU 108 Ca 0.66 2.18 -0.03 0.00 -0.22 0.00 0.00 54.13 56.72 1k8i s LEU 108 Cb -0.23 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 43.00 1k8i s LEU 108 CO 0.60 -0.75 0.14 -1.61 -1.32 0.00 0.00 176.35 173.41 1k8i s GLU 109 N 2.45 0.29 0.30 1.98 0.41 -1.26 -5.13 118.70 117.73 1k8i s GLU 109 Ca 0.66 -0.69 -0.27 0.00 -0.41 0.00 0.00 54.97 54.26 1k8i s GLU 109 Cb -0.33 -1.26 -0.14 0.00 -1.78 0.00 0.00 34.13 30.62 1k8i s GLU 109 CO 0.27 -1.04 0.88 1.19 -0.49 0.00 0.00 175.26 176.07 1k8i n PHE 110 N 5.06 0.77 0.00 1.61 0.99 -1.26 -1.38 117.46 123.25 1k8i n PHE 110 Ca -0.03 0.73 0.00 0.00 -0.00 0.00 0.00 57.45 58.15 1k8i n PHE 110 Cb 0.41 -2.17 0.00 0.00 -1.00 0.00 0.00 39.48 36.72 1k8i n PHE 110 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1k8i n GLY 111 N 1.41 2.09 3.80 1.37 0.00 -0.58 -4.95 105.19 108.32 1k8i n GLY 111 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1k8i n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k8i s LYS 112 N 0.00 4.01 0.20 1.61 1.02 -0.48 -4.93 119.74 121.18 1k8i s LYS 112 Ca 0.00 0.30 -0.32 0.00 0.02 0.00 0.00 55.97 55.97 1k8i s LYS 112 Cb 0.00 -3.30 -0.15 0.00 -0.52 0.00 0.00 37.83 33.86 1k8i s LYS 112 CO 0.00 0.52 1.09 -2.30 -0.92 0.00 0.00 175.35 173.73 1k8i n PRO 113 N 2.51 1.11 -2.72 -1.68 -0.02 -1.26 -4.33 135.00 128.61 1k8i n PRO 113 Ca -0.13 0.39 -0.07 0.00 -2.02 0.00 0.00 63.50 61.67 1k8i n PRO 113 Cb 0.52 -1.83 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 1k8i n PRO 113 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1k8i n ASN 114 N 1.83 -0.49 -3.67 2.55 2.85 0.10 -5.01 115.26 113.42 1k8i n ASN 114 Ca 0.14 -1.86 -0.13 0.00 -0.11 0.00 0.00 54.58 52.62 1k8i n ASN 114 Cb 0.26 0.97 -0.13 0.00 1.24 0.00 0.00 39.78 42.11 1k8i n ASN 114 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1k8i s THR 115 N -2.59 -0.36 0.27 -0.44 2.01 -1.26 -1.15 115.64 112.12 1k8i s THR 115 Ca 0.14 0.27 -0.21 0.00 0.31 0.00 0.00 61.69 62.20 1k8i s THR 115 Cb 0.00 -0.43 -0.09 0.00 0.01 0.00 0.00 72.50 71.99 1k8i s THR 115 CO 0.10 0.11 0.80 -0.76 -0.69 0.00 0.00 174.62 174.18 1k8i s LEU 116 N 2.26 4.28 -0.08 4.42 1.43 0.11 -1.27 118.68 129.83 1k8i s LEU 116 Ca -0.00 1.52 0.03 0.00 -1.03 0.00 0.00 54.13 54.65 1k8i s LEU 116 Cb -0.12 -3.82 0.01 0.00 0.03 0.00 0.00 46.19 42.29 1k8i s LEU 116 CO -0.08 -0.05 -0.18 -0.69 0.23 0.00 0.00 176.35 175.58 1k8i s VAL 117 N -1.65 1.57 -0.33 -1.59 1.01 0.58 -1.16 120.40 118.84 1k8i s VAL 117 Ca 0.47 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1k8i s VAL 117 Cb -0.16 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1k8i s VAL 117 CO 0.21 0.45 0.12 0.00 0.00 0.00 0.00 175.10 175.88 1k8i s PHE 119 N 1.48 3.21 -0.17 0.00 5.36 -0.07 -1.42 117.98 126.37 1k8i s PHE 119 Ca 0.01 -0.42 -0.07 0.00 -0.96 0.00 0.00 56.93 55.50 1k8i s PHE 119 Cb -0.18 -2.44 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 1k8i s PHE 119 CO 0.04 -0.43 0.06 0.42 -1.46 0.00 0.00 175.22 173.84 1k8i s ILE 120 N 1.67 4.75 0.13 3.12 1.09 0.42 -1.42 121.20 130.96 1k8i s ILE 120 Ca 0.05 -0.05 0.04 0.00 -1.10 0.00 0.00 60.65 59.59 1k8i s ILE 120 Cb -0.18 -3.12 -0.04 0.00 -1.06 0.00 0.00 42.46 38.06 1k8i s ILE 120 CO 0.09 0.48 -0.09 -0.94 -0.10 0.00 0.00 174.94 174.37 1k8i s SER 121 N 0.21 1.64 -1.20 3.58 1.04 0.49 -1.53 113.70 117.92 1k8i s SER 121 Ca 0.04 -1.00 -0.03 0.00 0.48 0.00 0.00 55.95 55.44 1k8i s SER 121 Cb -0.12 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1k8i s SER 121 CO 0.01 -0.35 0.43 -3.20 0.98 0.00 0.00 173.24 171.10 1k8i n ASN 122 N -0.10 -5.02 -4.61 7.02 5.15 -1.24 -0.24 115.26 116.21 1k8i n ASN 122 Ca -0.11 -0.20 -0.43 0.00 -0.60 0.00 0.00 54.58 53.24 1k8i n ASN 122 Cb 0.60 -3.89 -0.02 0.00 -0.53 0.00 0.00 39.78 35.94 1k8i n ASN 122 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1k8i s LEU 123 N -5.14 3.72 -0.30 1.20 2.96 -1.09 -3.78 118.68 116.25 1k8i s LEU 123 Ca 0.21 0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 54.73 1k8i s LEU 123 Cb -0.09 -3.55 0.13 0.00 0.50 0.00 0.00 46.19 43.18 1k8i s LEU 123 CO 0.26 -1.18 0.66 0.12 -1.32 0.00 0.00 176.35 174.90 1k8i s PHE 124 N 4.41 -1.30 0.70 5.38 5.36 -1.24 -2.99 117.98 128.29 1k8i s PHE 124 Ca 0.50 2.29 -0.11 0.00 -0.96 0.00 0.00 56.93 58.64 1k8i s PHE 124 Cb -0.10 0.78 0.01 0.00 -0.34 0.00 0.00 43.02 43.37 1k8i s PHE 124 CO 0.28 -0.65 1.07 -2.14 -1.46 0.00 0.00 175.22 172.32 1k8i s PRO 125 N 2.78 2.95 -1.05 10.12 0.02 -1.26 0.08 135.00 148.64 1k8i s PRO 125 Ca -0.06 0.70 -0.23 0.00 0.02 0.00 0.00 61.00 61.43 1k8i s PRO 125 Cb -0.11 -2.01 -0.12 0.00 0.02 0.00 0.00 34.50 32.28 1k8i s PRO 125 CO -0.19 -1.03 1.93 -0.35 -0.33 0.00 0.00 177.00 177.03 1k8i n PRO 126 N -3.04 1.50 -3.56 5.54 -0.04 -1.26 -4.77 135.00 129.37 1k8i n PRO 126 Ca 0.07 -2.26 -0.12 0.00 -0.04 0.00 0.00 63.50 61.15 1k8i n PRO 126 Cb 0.55 -3.49 -0.11 0.00 -0.04 0.00 0.00 33.50 30.41 1k8i n PRO 126 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1k8i s THR 127 N 9.52 -0.51 0.20 0.52 2.01 -1.26 -4.43 115.64 121.69 1k8i s THR 127 Ca 0.66 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 62.55 1k8i s THR 127 Cb 0.04 -0.62 0.07 0.00 0.01 0.00 0.00 72.50 72.00 1k8i s THR 127 CO 0.14 0.00 0.99 -1.48 -0.69 0.00 0.00 174.62 173.58 1k8i s LEU 128 N 2.49 -0.04 -0.13 4.42 2.34 -1.26 -2.67 118.68 123.83 1k8i s LEU 128 Ca 0.04 -0.66 -0.06 0.00 0.06 0.00 0.00 54.13 53.51 1k8i s LEU 128 Cb -0.13 2.19 0.05 0.00 -0.56 0.00 0.00 46.19 47.74 1k8i s LEU 128 CO -0.12 -1.05 0.29 0.42 -1.06 0.00 0.00 176.35 174.84 1k8i s THR 129 N -2.48 -0.10 -0.14 5.48 -4.23 -0.85 -4.97 115.64 108.35 1k8i s THR 129 Ca 0.19 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.83 1k8i s THR 129 Cb -0.03 -0.45 -0.02 0.00 1.34 0.00 0.00 72.50 73.35 1k8i s THR 129 CO 0.05 0.06 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.42 1k8i s VAL 130 N 1.48 3.42 -0.03 2.29 1.01 -1.26 -0.66 120.40 126.66 1k8i s VAL 130 Ca -0.08 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1k8i s VAL 130 Cb -0.10 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1k8i s VAL 130 CO -0.10 0.51 -0.13 0.20 0.00 0.00 0.00 175.10 175.58 1k8i s ASN 131 N 0.39 1.61 0.03 3.32 0.01 -0.38 -4.97 114.94 114.96 1k8i s ASN 131 Ca -0.07 -0.25 0.02 0.00 -0.71 0.00 0.00 52.86 51.84 1k8i s ASN 131 Cb -0.15 -0.38 -0.04 0.00 0.41 0.00 0.00 41.25 41.09 1k8i s ASN 131 CO 0.04 0.12 0.03 0.26 -1.51 0.00 0.00 177.10 176.04 1k8i s TRP 132 N 0.03 3.13 0.30 2.20 0.52 -1.26 -0.00 118.94 123.86 1k8i s TRP 132 Ca -0.01 0.09 0.03 0.00 0.02 0.00 0.00 56.10 56.23 1k8i s TRP 132 Cb -0.09 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1k8i s TRP 132 CO 0.01 0.50 0.15 -0.65 0.02 0.00 0.00 176.95 176.97 1k8i s GLN 133 N -1.87 1.57 -0.36 4.98 1.11 -0.33 -2.29 119.66 122.47 1k8i s GLN 133 Ca 0.23 -1.89 0.02 0.00 0.01 0.00 0.00 55.36 53.73 1k8i s GLN 133 Cb -0.12 -0.15 0.15 0.00 -1.01 0.00 0.00 33.01 31.88 1k8i s GLN 133 CO 0.15 -0.42 0.35 -1.17 0.01 0.00 0.00 175.29 174.20 1k8i s LEU 134 N -3.37 0.04 -0.63 2.90 2.96 0.15 -2.33 118.68 118.40 1k8i s LEU 134 Ca 0.36 -1.55 -0.01 0.00 -0.22 0.00 0.00 54.13 52.70 1k8i s LEU 134 Cb 0.05 0.45 0.00 0.00 0.50 0.00 0.00 46.19 47.19 1k8i s LEU 134 CO 0.17 -0.28 0.53 1.41 -1.32 0.00 0.00 176.35 176.86 1k8i n HIS 135 N 4.34 -1.21 0.00 5.38 8.25 -0.64 -2.65 115.22 128.69 1k8i n HIS 135 Ca 0.10 0.48 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 1k8i n HIS 135 Cb 0.44 -3.38 0.00 0.00 1.12 0.00 0.00 29.99 28.17 1k8i n HIS 135 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1k8i n SER 136 N -1.65 0.00 -4.59 0.41 7.64 -1.26 -4.89 113.62 109.28 1k8i n SER 136 Ca -0.10 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.36 1k8i n SER 136 Cb 0.57 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 1k8i n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k8i s ALA 137 N -0.47 2.80 0.87 -0.43 0.00 -1.08 -4.93 121.76 118.51 1k8i s ALA 137 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.99 1k8i s ALA 137 Cb 0.00 -4.04 0.12 0.00 0.00 0.00 0.00 23.12 19.20 1k8i s ALA 137 CO 0.00 -2.76 1.16 -1.25 0.00 0.00 0.00 175.76 172.91 1k8i s PRO 138 N 5.77 1.31 0.01 0.00 0.04 -1.26 0.31 135.00 141.17 1k8i s PRO 138 Ca 0.77 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 63.22 1k8i s PRO 138 Cb -0.21 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.61 1k8i s PRO 138 CO 0.32 -2.42 0.42 0.54 0.04 0.00 0.00 177.00 175.90 1k8i s VAL 139 N -2.50 0.05 0.23 -0.36 0.11 -0.97 -4.78 120.40 112.18 1k8i s VAL 139 Ca 0.68 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1k8i s VAL 139 Cb -0.24 -0.84 -0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1k8i s VAL 139 CO 0.55 -0.22 0.01 -1.84 -3.33 0.00 0.00 175.10 170.28 1k8i n GLU 140 N 0.85 1.32 0.00 1.54 0.00 -1.26 -4.46 120.64 118.63 1k8i n GLU 140 Ca -0.20 -1.69 0.00 0.00 0.00 0.00 0.00 57.16 55.27 1k8i n GLU 140 Cb 0.58 0.53 0.00 0.00 0.00 0.00 0.00 31.44 32.55 1k8i n GLU 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1k8i n GLY 141 N 1.97 0.61 3.77 -1.84 0.00 -1.26 -5.07 105.19 103.37 1k8i n GLY 141 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1k8i n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k8i s ALA 142 N -2.00 2.65 0.65 4.61 0.00 -1.26 -4.68 121.76 121.72 1k8i s ALA 142 Ca 0.00 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 1k8i s ALA 142 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1k8i s ALA 142 CO 0.00 -0.88 0.98 -1.54 0.00 0.00 0.00 175.76 174.32 1k8i s SER 143 N -1.94 5.36 0.49 0.00 1.04 -0.55 -5.02 113.70 113.09 1k8i s SER 143 Ca 0.72 0.76 -0.23 0.00 0.48 0.00 0.00 55.95 57.68 1k8i s SER 143 Cb -0.23 -1.62 -0.06 0.00 0.10 0.00 0.00 66.02 64.20 1k8i s SER 143 CO 0.30 -1.26 1.31 -2.84 0.98 0.00 0.00 173.24 171.72 1k8i s PRO 144 N -5.15 3.49 -0.19 4.02 0.02 -1.26 -4.59 135.00 131.34 1k8i s PRO 144 Ca 0.56 2.13 -0.26 0.00 0.02 0.00 0.00 61.00 63.46 1k8i s PRO 144 Cb -0.11 -2.42 -0.01 0.00 0.02 0.00 0.00 34.50 31.98 1k8i s PRO 144 CO 0.47 -0.88 0.87 0.95 -0.33 0.00 0.00 177.00 178.07 1k8i s THR 145 N -1.34 4.84 -0.28 0.99 -4.23 -1.26 -4.76 115.64 109.61 1k8i s THR 145 Ca 0.66 1.69 -0.09 0.00 -1.18 0.00 0.00 61.69 62.76 1k8i s THR 145 Cb -0.38 -4.16 -0.03 0.00 1.34 0.00 0.00 72.50 69.27 1k8i s THR 145 CO 0.46 -0.02 0.14 -0.94 -0.54 0.00 0.00 174.62 173.72 1k8i s SER 146 N 1.19 5.59 0.23 3.99 1.04 -0.91 -4.93 113.70 119.91 1k8i s SER 146 Ca 0.39 -0.20 -0.15 0.00 0.48 0.00 0.00 55.95 56.47 1k8i s SER 146 Cb -0.16 -2.02 -0.08 0.00 0.10 0.00 0.00 66.02 63.86 1k8i s SER 146 CO 0.11 -0.08 0.65 -0.63 0.98 0.00 0.00 173.24 174.27 1k8i s ILE 147 N 1.68 4.74 -0.01 -1.02 1.01 -1.26 -2.41 121.20 123.92 1k8i s ILE 147 Ca 0.06 0.93 -0.04 0.00 0.00 0.00 0.00 60.65 61.60 1k8i s ILE 147 Cb -0.16 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.59 1k8i s ILE 147 CO 0.07 0.07 0.09 -0.94 0.00 0.00 0.00 174.94 174.23 1k8i s SER 148 N -1.95 0.02 0.54 3.58 1.04 0.32 -4.98 113.70 112.27 1k8i s SER 148 Ca 0.45 -0.12 -0.17 0.00 0.48 0.00 0.00 55.95 56.59 1k8i s SER 148 Cb -0.14 0.18 -0.06 0.00 0.10 0.00 0.00 66.02 66.11 1k8i s SER 148 CO 0.20 -0.23 1.03 0.00 0.98 0.00 0.00 173.24 175.22 1k8i s ALA 149 N -0.86 2.87 0.03 5.32 0.00 -1.26 -1.76 121.76 126.09 1k8i s ALA 149 Ca -0.09 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 1k8i s ALA 149 Cb -0.06 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1k8i s ALA 149 CO 0.00 -0.50 0.06 0.54 0.00 0.00 0.00 175.76 175.86 1k8i s VAL 150 N -2.39 0.12 0.23 0.00 0.11 0.77 -4.86 120.40 114.38 1k8i s VAL 150 Ca 0.63 -1.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.38 1k8i s VAL 150 Cb -0.14 -0.65 -0.16 0.00 -1.53 0.00 0.00 36.38 33.90 1k8i s VAL 150 CO 0.31 -0.55 0.86 -0.67 -3.33 0.00 0.00 175.10 171.72 1k8i n ASP 151 N 1.11 0.35 0.00 3.54 4.64 -1.26 -2.12 116.55 122.81 1k8i n ASP 151 Ca -0.21 1.16 0.00 0.00 -1.38 0.00 0.00 54.79 54.36 1k8i n ASP 151 Cb 0.57 -1.14 0.00 0.00 -1.04 0.00 0.00 41.12 39.51 1k8i n ASP 151 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1k8i n GLY 152 N 1.63 0.77 3.53 0.27 0.00 -1.26 -4.32 105.19 105.81 1k8i n GLY 152 Ca 0.14 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 1k8i n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k8i n LEU 153 N 0.00 -3.77 0.00 0.99 4.77 -1.11 -5.00 117.00 112.88 1k8i n LEU 153 Ca 0.00 -0.71 -0.13 0.00 -0.03 0.00 0.00 56.01 55.14 1k8i n LEU 153 Cb 0.00 -2.94 -0.05 0.00 -2.33 0.00 0.00 43.42 38.10 1k8i n LEU 153 CO 0.00 0.37 -0.07 0.41 -1.33 0.00 0.00 177.39 176.78 1k8i n THR 154 N -4.12 0.00 -4.20 -5.08 -1.04 -0.90 -5.00 114.28 93.93 1k8i n THR 154 Ca -0.28 -1.47 -0.12 0.00 -2.04 0.00 0.00 64.05 60.15 1k8i n THR 154 Cb 0.67 0.69 -0.10 0.00 -1.82 0.00 0.00 70.33 69.77 1k8i n THR 154 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1k8i s PHE 155 N -2.75 1.10 0.05 -1.42 0.08 -1.16 -0.16 117.98 113.73 1k8i s PHE 155 Ca 0.22 -1.23 -0.15 0.00 0.12 0.00 0.00 56.93 55.89 1k8i s PHE 155 Cb 0.01 -0.60 0.02 0.00 -0.57 0.00 0.00 43.02 41.88 1k8i s PHE 155 CO 0.15 -0.47 0.34 1.14 -0.10 0.00 0.00 175.22 176.28 1k8i s GLN 156 N -4.05 0.87 0.04 0.44 -2.07 -0.72 -2.67 119.66 111.49 1k8i s GLN 156 Ca 0.30 -0.50 -0.04 0.00 -1.82 0.00 0.00 55.36 53.30 1k8i s GLN 156 Cb 0.07 0.38 -0.02 0.00 -1.09 0.00 0.00 33.01 32.35 1k8i s GLN 156 CO 0.07 -0.29 0.06 0.00 -1.32 0.00 0.00 175.29 173.81 1k8i s ALA 157 N -2.71 0.04 0.09 2.60 0.00 -0.58 -0.52 121.76 120.68 1k8i s ALA 157 Ca -0.04 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1k8i s ALA 157 Cb -0.00 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1k8i s ALA 157 CO -0.04 -0.31 -0.15 -0.06 0.00 0.00 0.00 175.76 175.20 1k8i s PHE 158 N -2.67 1.37 -0.09 0.00 0.40 -1.01 -0.44 117.98 115.54 1k8i s PHE 158 Ca -0.04 -0.49 -0.04 0.00 -0.60 0.00 0.00 56.93 55.76 1k8i s PHE 158 Cb -0.01 -0.75 0.05 0.00 0.51 0.00 0.00 43.02 42.82 1k8i s PHE 158 CO -0.05 0.11 0.17 0.45 0.70 0.00 0.00 175.22 176.60 1k8i s SER 159 N -2.01 0.55 0.09 1.36 0.15 -0.51 -2.14 113.70 111.20 1k8i s SER 159 Ca 0.03 0.37 0.04 0.00 0.70 0.00 0.00 55.95 57.08 1k8i s SER 159 Cb -0.08 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1k8i s SER 159 CO 0.03 -0.23 0.08 -0.31 1.20 0.00 0.00 173.24 174.01 1k8i s TYR 160 N 2.13 3.16 -0.23 3.44 1.51 -1.26 0.19 117.35 126.29 1k8i s TYR 160 Ca 0.01 0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 56.09 1k8i s TYR 160 Cb -0.12 -1.59 0.12 0.00 -0.11 0.00 0.00 41.96 40.26 1k8i s TYR 160 CO -0.06 0.52 0.32 -1.17 -1.11 0.00 0.00 175.55 174.05 1k8i s LEU 161 N -2.49 -0.45 0.60 -1.29 2.96 -0.31 -1.48 118.68 116.23 1k8i s LEU 161 Ca 0.29 0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 54.10 1k8i s LEU 161 Cb -0.12 0.86 -0.03 0.00 0.50 0.00 0.00 46.19 47.40 1k8i s LEU 161 CO 0.22 -0.31 1.15 0.20 -1.32 0.00 0.00 176.35 176.29 1k8i s ASN 162 N 2.47 5.28 -0.10 3.68 -0.87 -1.26 0.07 114.94 124.20 1k8i s ASN 162 Ca 0.10 2.19 -0.32 0.00 -1.57 0.00 0.00 52.86 53.26 1k8i s ASN 162 Cb -0.15 -2.58 0.12 0.00 -0.02 0.00 0.00 41.25 38.62 1k8i s ASN 162 CO -0.14 -1.52 1.11 0.72 -2.57 0.00 0.00 177.10 174.70 1k8i s PHE 163 N -1.91 -0.18 -0.48 2.20 -0.00 -0.30 -4.83 117.98 112.47 1k8i s PHE 163 Ca 0.72 0.09 -0.01 0.00 -0.00 0.00 0.00 56.93 57.73 1k8i s PHE 163 Cb -0.25 0.53 0.13 0.00 -0.00 0.00 0.00 43.02 43.43 1k8i s PHE 163 CO 0.34 -0.34 0.27 0.95 -0.00 0.00 0.00 175.22 176.44 1k8i s THR 164 N -2.67 3.23 -0.01 -4.49 -4.23 -1.26 -0.72 115.64 105.49 1k8i s THR 164 Ca 0.09 -2.52 -0.40 0.00 -1.18 0.00 0.00 61.69 57.67 1k8i s THR 164 Cb -0.00 -3.19 -0.19 0.00 1.34 0.00 0.00 72.50 70.45 1k8i s THR 164 CO -0.05 -0.75 1.14 -0.81 -0.54 0.00 0.00 174.62 173.61 1k8i n PRO 165 N 4.03 0.21 -3.89 3.99 -0.04 -1.26 -4.69 135.00 133.34 1k8i n PRO 165 Ca 0.03 0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1k8i n PRO 165 Cb 0.39 -1.60 -0.14 0.00 -0.04 0.00 0.00 33.50 32.11 1k8i n PRO 165 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1k8i s GLU 166 N 0.24 0.03 0.39 0.54 0.41 -1.26 -1.53 118.70 117.53 1k8i s GLU 166 Ca 0.91 -0.01 0.35 0.00 -0.41 0.00 0.00 54.97 55.80 1k8i s GLU 166 Cb -1.22 -0.04 1.24 0.00 -1.78 0.00 0.00 34.13 32.33 1k8i s GLU 166 CO 0.56 0.01 1.14 -2.30 -0.49 0.00 0.00 175.26 174.18 1k8i n PRO 167 N 3.09 -0.00 -0.32 0.39 -0.02 -1.26 -0.62 135.00 136.26 1k8i n PRO 167 Ca -0.12 0.81 0.07 0.00 -2.02 0.00 0.00 63.50 62.24 1k8i n PRO 167 Cb 0.60 -1.83 0.21 0.00 -0.02 0.00 0.00 33.50 32.46 1k8i n PRO 167 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1k8i n PHE 168 N -3.52 0.72 -1.21 6.00 3.01 -1.26 -4.81 117.46 116.39 1k8i n PHE 168 Ca 0.32 -0.71 -0.31 0.00 1.01 0.00 0.00 57.45 57.77 1k8i n PHE 168 Cb 1.43 -0.19 0.11 0.00 -0.01 0.00 0.00 39.48 40.82 1k8i n PHE 168 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k8i s ASP 169 N -1.52 4.11 -0.40 4.37 1.01 0.21 -5.05 116.67 119.40 1k8i s ASP 169 Ca 0.33 1.75 0.05 0.00 0.71 0.00 0.00 52.55 55.39 1k8i s ASP 169 Cb 0.24 -2.43 0.18 0.00 1.01 0.00 0.00 42.92 41.93 1k8i s ASP 169 CO 0.12 -2.28 0.70 -0.22 0.21 0.00 0.00 175.17 173.70 1k8i s LEU 170 N -6.05 -1.34 0.08 1.23 2.96 -1.26 -4.48 118.68 109.81 1k8i s LEU 170 Ca 0.62 -0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 53.71 1k8i s LEU 170 Cb -0.18 1.72 -0.06 0.00 0.50 0.00 0.00 46.19 48.17 1k8i s LEU 170 CO 0.56 -0.15 0.42 -0.31 -1.32 0.00 0.00 176.35 175.56 1k8i s TYR 171 N 1.84 3.60 -0.02 5.38 1.51 -0.62 -1.62 117.35 127.42 1k8i s TYR 171 Ca 0.16 0.85 0.02 0.00 -1.01 0.00 0.00 57.07 57.09 1k8i s TYR 171 Cb -0.03 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1k8i s TYR 171 CO -0.08 0.52 -0.07 -1.54 -1.11 0.00 0.00 175.55 173.27 1k8i s SER 172 N -1.67 0.94 -0.23 2.29 1.04 -0.98 -0.33 113.70 114.76 1k8i s SER 172 Ca 0.32 -0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 1k8i s SER 172 Cb -0.14 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.80 1k8i s SER 172 CO 0.18 0.06 -0.07 0.00 0.98 0.00 0.00 173.24 174.39 1k8i s THR 174 N 1.37 4.20 -0.15 0.00 2.01 0.99 -1.11 115.64 122.96 1k8i s THR 174 Ca 0.03 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 1k8i s THR 174 Cb -0.15 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 1k8i s THR 174 CO -0.05 0.12 0.23 -0.69 -0.69 0.00 0.00 174.62 173.53 1k8i s VAL 175 N 1.55 5.35 -0.36 3.82 1.01 0.75 -1.24 120.40 131.28 1k8i s VAL 175 Ca 0.04 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.45 1k8i s VAL 175 Cb -0.17 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.77 1k8i s VAL 175 CO 0.04 0.47 0.09 -0.89 0.00 0.00 0.00 175.10 174.81 1k8i s THR 176 N -0.05 1.98 0.40 3.92 2.01 0.16 -0.67 115.64 123.39 1k8i s THR 176 Ca 0.15 -2.25 -0.24 0.00 0.31 0.00 0.00 61.69 59.66 1k8i s THR 176 Cb -0.13 -2.46 -0.09 0.00 0.01 0.00 0.00 72.50 69.84 1k8i s THR 176 CO 0.03 -0.65 1.04 -2.28 -0.69 0.00 0.00 174.62 172.07 1k8i s HIS 177 N 0.91 3.27 -1.12 4.92 2.46 -0.47 -2.01 115.29 123.25 1k8i s HIS 177 Ca 0.12 1.64 -0.30 0.00 0.47 0.00 0.00 55.06 56.99 1k8i s HIS 177 Cb -0.20 -3.10 0.04 0.00 -0.13 0.00 0.00 32.58 29.20 1k8i s HIS 177 CO -0.10 -0.57 0.57 0.39 -2.47 0.00 0.00 174.74 172.56 1k8i n GLU 178 N -0.13 -0.31 0.00 2.88 1.02 -1.09 -2.92 120.64 120.09 1k8i n GLU 178 Ca 0.05 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1k8i n GLU 178 Cb 0.50 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1k8i n GLU 178 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1k8i n ILE 179 N -4.68 0.00 -0.74 -3.67 5.41 -1.26 -2.73 119.36 111.69 1k8i n ILE 179 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1k8i n ILE 179 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 1k8i n ILE 179 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1k8i n ASP 180 N 1.43 0.39 -4.17 4.38 3.85 -1.24 -4.97 116.55 116.22 1k8i n ASP 180 Ca 0.00 -1.13 -0.39 0.00 -0.71 0.00 0.00 54.79 52.56 1k8i n ASP 180 Cb 0.00 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 39.68 1k8i n ASP 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1k8i s ARG 181 N -0.13 2.41 0.00 0.11 1.70 -1.11 -4.91 118.95 117.02 1k8i s ARG 181 Ca 0.00 -1.93 0.00 0.00 -0.47 0.00 0.00 55.73 53.33 1k8i s ARG 181 Cb 0.00 -3.83 0.00 0.00 -0.57 0.00 0.00 34.95 30.55 1k8i s ARG 181 CO 0.00 -1.16 0.00 0.98 -1.08 0.00 0.00 175.30 174.04 1k8i n TYR 182 N 4.57 0.00 -4.19 5.89 9.36 -1.26 -4.48 117.16 127.05 1k8i n TYR 182 Ca -0.03 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.96 1k8i n TYR 182 Cb 0.41 -1.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.05 1k8i n TYR 182 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1k8i s THR 183 N 0.00 3.03 -0.06 2.97 -4.23 -1.26 -1.37 115.64 114.72 1k8i s THR 183 Ca 0.00 -1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 58.68 1k8i s THR 183 Cb 0.00 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 70.95 1k8i s THR 183 CO 0.00 -0.22 0.15 0.00 -0.54 0.00 0.00 174.62 174.00 1k8i s ALA 184 N -2.42 -0.31 -0.11 3.99 0.00 0.15 -4.97 121.76 118.09 1k8i s ALA 184 Ca 0.36 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.88 1k8i s ALA 184 Cb -0.03 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1k8i s ALA 184 CO 0.21 -0.12 -0.11 0.42 0.00 0.00 0.00 175.76 176.17 1k8i s ILE 185 N 0.65 1.24 -0.11 0.00 1.09 -1.26 -0.18 121.20 122.64 1k8i s ILE 185 Ca -0.05 -0.46 -0.00 0.00 -1.10 0.00 0.00 60.65 59.04 1k8i s ILE 185 Cb -0.06 -1.19 -0.02 0.00 -1.06 0.00 0.00 42.46 40.12 1k8i s ILE 185 CO -0.03 0.40 -0.09 0.00 -0.10 0.00 0.00 174.94 175.11 1k8i s ALA 186 N 1.34 2.81 0.12 9.38 0.00 -0.27 -4.94 121.76 130.20 1k8i s ALA 186 Ca -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1k8i s ALA 186 Cb -0.14 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1k8i s ALA 186 CO -0.05 0.36 0.03 0.71 0.00 0.00 0.00 175.76 176.80 1k8i s TYR 187 N -0.06 3.00 -0.02 0.00 1.51 -1.26 -0.32 117.35 120.20 1k8i s TYR 187 Ca -0.01 -0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1k8i s TYR 187 Cb -0.14 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 1k8i s TYR 187 CO 0.03 0.50 0.01 -0.46 -1.11 0.00 0.00 175.55 174.52 1k8i s TRP 188 N -1.47 0.11 0.27 2.71 -0.00 0.55 -4.70 118.94 116.41 1k8i s TRP 188 Ca 0.27 0.05 0.04 0.00 -0.00 0.00 0.00 56.10 56.46 1k8i s TRP 188 Cb -0.11 -0.21 -0.06 0.00 -0.00 0.00 0.00 33.47 33.09 1k8i s TRP 188 CO 0.19 -0.07 0.01 0.14 -0.00 0.00 0.00 176.95 177.23 1k8i s VAL 189 N 0.68 1.14 -0.58 5.86 -7.23 -1.26 -1.60 120.40 117.42 1k8i s VAL 189 Ca -0.06 -2.04 -0.26 0.00 -1.81 0.00 0.00 61.98 57.81 1k8i s VAL 189 Cb -0.09 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1k8i s VAL 189 CO -0.02 -0.21 2.04 -2.16 -0.31 0.00 0.00 175.10 174.44 1k8i s PRO 190 N -3.86 2.45 0.00 4.82 0.04 -1.26 -5.05 135.00 132.14 1k8i s PRO 190 Ca 0.31 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1k8i s PRO 190 Cb 0.06 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1k8i s PRO 190 CO 0.11 -2.93 0.00 0.00 0.04 0.00 0.00 177.00 174.23