#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8m s LYS 2 N 0.00 1.61 0.00 3.49 0.00 -1.26 -3.99 119.74 119.59 2k8m s LYS 2 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 55.97 55.49 2k8m s LYS 2 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 37.83 36.45 2k8m s LYS 2 CO 0.00 0.13 0.05 -0.11 0.00 0.00 0.00 175.35 175.42 2k8m n LEU 3 N 3.45 0.09 0.00 2.77 7.94 0.12 -4.02 117.00 127.35 2k8m n LEU 3 Ca -0.20 -0.29 0.00 0.00 -1.11 0.00 0.00 56.01 54.41 2k8m n LEU 3 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 2k8m n LEU 3 CO 0.25 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.16 2k8m n GLY 4 N 0.39 0.17 3.02 -3.96 0.00 -1.20 -3.84 105.19 99.77 2k8m n GLY 4 Ca 0.00 -2.01 -0.17 0.00 0.00 0.00 0.00 46.02 43.84 2k8m n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8m s LYS 5 N 0.00 0.59 -0.06 1.61 1.02 -0.99 -0.03 119.74 121.88 2k8m s LYS 5 Ca 0.00 -0.40 0.06 0.00 0.02 0.00 0.00 55.97 55.64 2k8m s LYS 5 Cb 0.00 -0.53 -0.01 0.00 -0.52 0.00 0.00 37.83 36.77 2k8m s LYS 5 CO 0.00 0.14 -0.24 -1.17 -0.92 0.00 0.00 175.35 173.16 2k8m s LEU 6 N -0.55 2.05 -0.23 3.17 0.20 0.11 -1.27 118.68 122.16 2k8m s LEU 6 Ca 0.00 -0.50 -0.10 0.00 0.69 0.00 0.00 54.13 54.22 2k8m s LEU 6 Cb -0.05 -1.33 -0.05 0.00 -0.43 0.00 0.00 46.19 44.33 2k8m s LEU 6 CO 0.00 0.22 0.15 -1.10 -0.29 0.00 0.00 176.35 175.33 2k8m s GLN 7 N -0.06 4.09 0.05 1.98 -1.52 -0.08 -1.02 119.66 123.11 2k8m s GLN 7 Ca -0.06 -0.26 -0.15 0.00 -1.95 0.00 0.00 55.36 52.94 2k8m s GLN 7 Cb -0.14 -3.50 0.02 0.00 -0.22 0.00 0.00 33.01 29.17 2k8m s GLN 7 CO 0.04 0.12 0.33 1.52 -0.25 0.00 0.00 175.29 177.06 2k8m s TYR 8 N 0.88 -0.14 -0.21 0.91 1.13 -1.23 -0.60 117.35 118.09 2k8m s TYR 8 Ca 0.07 -0.00 0.02 0.00 -1.41 0.00 0.00 57.07 55.75 2k8m s TYR 8 Cb -0.13 0.13 0.03 0.00 -1.10 0.00 0.00 41.96 40.89 2k8m s TYR 8 CO 0.03 -0.54 -0.17 -1.12 -2.51 0.00 0.00 175.55 171.24 2k8m s SER 9 N -2.14 3.56 -0.34 -0.18 0.01 -0.16 -3.15 113.70 111.30 2k8m s SER 9 Ca -0.04 -0.90 -0.12 0.00 1.31 0.00 0.00 55.95 56.21 2k8m s SER 9 Cb -0.00 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.72 2k8m s SER 9 CO -0.04 -0.06 0.22 -0.76 0.41 0.00 0.00 173.24 173.01 2k8m s LEU 10 N 1.23 4.49 0.12 2.44 1.43 -0.25 -2.22 118.68 125.92 2k8m s LEU 10 Ca 0.00 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 2k8m s LEU 10 Cb -0.15 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2k8m s LEU 10 CO -0.10 -0.26 -0.18 1.51 0.23 0.00 0.00 176.35 177.54 2k8m s ASP 11 N 1.67 2.40 0.11 2.29 1.47 -1.00 -0.01 116.67 123.59 2k8m s ASP 11 Ca 0.05 -0.75 0.05 0.00 1.18 0.00 0.00 52.55 53.08 2k8m s ASP 11 Cb -0.18 -0.12 -0.04 0.00 -0.34 0.00 0.00 42.92 42.24 2k8m s ASP 11 CO 0.09 -0.02 0.04 -0.72 0.68 0.00 0.00 175.17 175.24 2k8m s TYR 12 N -1.59 3.05 0.05 2.11 1.13 -1.25 -0.15 117.35 120.70 2k8m s TYR 12 Ca 0.09 -0.01 0.08 0.00 -1.41 0.00 0.00 57.07 55.81 2k8m s TYR 12 Cb -0.08 -1.54 -0.03 0.00 -1.10 0.00 0.00 41.96 39.21 2k8m s TYR 12 CO 0.05 0.50 -0.19 0.34 -2.51 0.00 0.00 175.55 173.73 2k8m s ASP 13 N -2.51 3.72 -0.10 -0.18 2.15 -0.14 -4.90 116.67 114.71 2k8m s ASP 13 Ca 0.28 -0.46 0.15 0.00 0.43 0.00 0.00 52.55 52.94 2k8m s ASP 13 Cb -0.11 -0.56 0.32 0.00 -0.30 0.00 0.00 42.92 42.27 2k8m s ASP 13 CO 0.20 0.25 1.15 2.22 -0.17 0.00 0.00 175.17 178.82 2k8m n PHE 14 N 1.50 0.00 -0.04 -5.34 1.16 -1.26 -3.70 117.46 109.78 2k8m n PHE 14 Ca -0.16 -0.85 -0.05 0.00 -1.87 0.00 0.00 57.45 54.52 2k8m n PHE 14 Cb 0.52 -0.17 -0.04 0.00 -1.61 0.00 0.00 39.48 38.18 2k8m n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k8m n GLN 15 N -0.55 1.48 0.00 3.97 10.64 -1.26 -4.74 117.38 126.92 2k8m n GLN 15 Ca 0.11 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 2k8m n GLN 15 Cb 0.81 -1.17 0.00 0.00 -0.86 0.00 0.00 30.24 29.02 2k8m n GLN 15 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2k8m n ASN 16 N -2.51 0.64 -2.12 2.61 0.23 -1.26 -5.08 115.26 107.77 2k8m n ASN 16 Ca -0.13 -0.88 -0.01 0.00 -0.53 0.00 0.00 54.58 53.03 2k8m n ASN 16 Cb 0.68 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.54 2k8m n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k8m n ASN 17 N -0.16 -4.98 -3.60 0.53 2.85 -1.26 -4.98 115.26 103.66 2k8m n ASN 17 Ca 0.00 0.57 -0.03 0.00 -0.11 0.00 0.00 54.58 55.01 2k8m n ASN 17 Cb 0.04 -3.16 -0.02 0.00 1.24 0.00 0.00 39.78 37.88 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k8m s GLN 18 N -1.13 0.44 -0.14 1.20 1.03 -1.24 -3.53 119.66 116.29 2k8m s GLN 18 Ca 0.04 -0.20 -0.03 0.00 0.04 0.00 0.00 55.36 55.22 2k8m s GLN 18 Cb -0.01 0.18 -0.03 0.00 0.03 0.00 0.00 33.01 33.18 2k8m s GLN 18 CO 0.39 -0.20 -0.05 -0.51 -2.54 0.00 0.00 175.29 172.38 2k8m s LEU 19 N -2.48 3.17 -0.49 2.60 1.43 -0.66 -0.97 118.68 121.28 2k8m s LEU 19 Ca 0.10 -0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 2k8m s LEU 19 Cb 0.01 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.52 2k8m s LEU 19 CO -0.04 0.20 0.70 -0.22 0.23 0.00 0.00 176.35 177.21 2k8m s LEU 20 N 0.19 4.63 -0.59 1.79 1.98 0.79 -1.91 118.68 125.56 2k8m s LEU 20 Ca -0.03 -0.60 -0.18 0.00 -2.89 0.00 0.00 54.13 50.43 2k8m s LEU 20 Cb -0.14 -2.62 0.12 0.00 0.66 0.00 0.00 46.19 44.20 2k8m s LEU 20 CO 0.03 -0.92 0.65 -0.69 -1.89 0.00 0.00 176.35 173.53 2k8m s VAL 21 N 2.97 4.96 -0.52 1.68 1.01 -1.11 -2.38 120.40 127.01 2k8m s VAL 21 Ca 0.21 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 2k8m s VAL 21 Cb -0.16 -4.45 0.11 0.00 0.00 0.00 0.00 36.38 31.88 2k8m s VAL 21 CO 0.16 -1.05 0.48 -0.83 0.00 0.00 0.00 175.10 173.85 2k8m s GLY 22 N 3.59 2.06 -0.54 4.51 0.00 -0.94 -2.62 107.32 113.36 2k8m s GLY 22 Ca 0.09 -2.38 -0.22 0.00 0.00 0.00 0.00 44.72 42.21 2k8m s GLY 22 CO 0.05 1.17 0.84 -0.26 0.00 0.00 0.00 173.10 174.90 2k8m s ILE 23 N 1.67 4.54 0.01 0.90 -0.00 -1.17 -0.99 121.20 126.16 2k8m s ILE 23 Ca 0.04 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.65 60.56 2k8m s ILE 23 Cb -0.28 -4.47 -0.06 0.00 -0.00 0.00 0.00 42.46 37.65 2k8m s ILE 23 CO 0.04 -1.04 1.00 0.40 -0.00 0.00 0.00 174.94 175.34 2k8m h ILE 24 N 5.97 0.00 -2.80 8.37 2.04 -1.18 -2.89 117.51 127.02 2k8m h ILE 24 Ca -0.27 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 65.64 2k8m h ILE 24 Cb 1.08 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 2k8m h ILE 24 CO 1.06 0.00 0.31 0.00 0.00 0.00 0.00 178.15 179.52 2k8m s GLN 25 N -3.55 1.62 0.04 2.37 1.03 -1.17 -2.19 119.66 117.81 2k8m s GLN 25 Ca -0.06 -0.90 0.03 0.00 0.04 0.00 0.00 55.36 54.47 2k8m s GLN 25 Cb 0.01 0.55 -0.02 0.00 0.03 0.00 0.00 33.01 33.57 2k8m s GLN 25 CO 0.17 -0.74 -0.09 0.00 -2.54 0.00 0.00 175.29 172.08 2k8m s ALA 26 N -3.67 0.72 0.19 2.60 0.00 -1.22 -0.90 121.76 119.48 2k8m s ALA 26 Ca 0.12 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2k8m s ALA 26 Cb -0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2k8m s ALA 26 CO 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 175.76 175.85 2k8m s ALA 27 N -1.24 1.50 -1.07 0.00 0.00 -0.40 -3.89 121.76 116.65 2k8m s ALA 27 Ca -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.26 2k8m s ALA 27 Cb -0.09 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.50 2k8m s ALA 27 CO 0.01 -0.27 0.00 0.39 0.00 0.00 0.00 175.76 175.88 2k8m n GLU 28 N -0.29 -0.97 -2.54 0.00 1.02 -1.26 -2.33 120.64 114.27 2k8m n GLU 28 Ca -0.06 0.62 -0.42 0.00 -0.02 0.00 0.00 57.16 57.28 2k8m n GLU 28 Cb 0.63 -4.79 -0.03 0.00 -0.02 0.00 0.00 31.44 27.23 2k8m n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k8m s LEU 29 N -3.47 4.39 0.89 -4.62 1.43 -1.22 -4.05 118.68 112.04 2k8m s LEU 29 Ca 0.00 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 2k8m s LEU 29 Cb 0.00 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.77 2k8m s LEU 29 CO 0.00 -0.35 1.11 -2.84 0.23 0.00 0.00 176.35 174.51 2k8m s PRO 30 N 0.78 1.29 -0.27 1.29 0.02 -1.26 -4.83 135.00 132.01 2k8m s PRO 30 Ca 0.55 1.31 -0.11 0.00 0.02 0.00 0.00 61.00 62.76 2k8m s PRO 30 Cb -0.27 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 2k8m s PRO 30 CO 0.30 -2.36 0.20 0.00 -0.33 0.00 0.00 177.00 174.80 2k8m s ALA 31 N -2.74 3.54 -0.17 -1.55 0.00 -1.26 -4.71 121.76 114.87 2k8m s ALA 31 Ca 0.65 -1.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.43 2k8m s ALA 31 Cb -0.21 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 2k8m s ALA 31 CO 0.58 -0.51 -0.30 -0.11 0.00 0.00 0.00 175.76 175.42 2k8m n LEU 32 N 4.97 1.75 -4.75 0.00 -0.00 -1.26 -4.98 117.00 112.74 2k8m n LEU 32 Ca -0.14 0.29 -0.40 0.00 -0.00 0.00 0.00 56.01 55.77 2k8m n LEU 32 Cb 0.52 -0.68 0.02 0.00 -0.00 0.00 0.00 43.42 43.28 2k8m n LEU 32 CO 0.34 -0.08 1.03 -0.67 -0.00 0.00 0.00 177.39 178.00 2k8m n ASP 33 N -4.22 3.11 -4.56 1.96 2.03 -1.26 -4.87 116.55 108.73 2k8m n ASP 33 Ca -0.23 1.10 -0.39 0.00 0.52 0.00 0.00 54.79 55.79 2k8m n ASP 33 Cb 0.56 -1.58 -0.03 0.00 -0.72 0.00 0.00 41.12 39.35 2k8m n ASP 33 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2k8m s MET 34 N -2.45 2.76 0.00 -0.67 -2.45 -1.26 -2.73 119.30 112.50 2k8m s MET 34 Ca 0.62 0.77 0.00 0.00 -1.25 0.00 0.00 55.69 55.83 2k8m s MET 34 Cb -0.46 -4.35 0.00 0.00 1.25 0.00 0.00 34.83 31.27 2k8m s MET 34 CO 0.57 -2.57 0.00 0.41 1.05 0.00 0.00 175.02 174.48 2k8m n GLY 35 N 5.64 0.40 0.00 2.11 0.00 -1.26 -4.90 105.19 107.18 2k8m n GLY 35 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2k8m n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8m n GLY 36 N 0.00 0.64 2.71 -0.02 0.00 -1.10 -5.06 105.19 102.37 2k8m n GLY 36 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2k8m n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8m s THR 37 N -2.00 0.57 0.78 2.61 -4.23 -1.26 -4.79 115.64 107.33 2k8m s THR 37 Ca 0.00 -0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.58 2k8m s THR 37 Cb 0.00 -1.23 0.12 0.00 1.34 0.00 0.00 72.50 72.73 2k8m s THR 37 CO 0.00 -0.41 1.10 -0.44 -0.54 0.00 0.00 174.62 174.33 2k8m s SER 38 N 1.81 4.20 -0.80 3.99 0.01 -1.26 -4.38 113.70 117.27 2k8m s SER 38 Ca 0.03 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.51 2k8m s SER 38 Cb -0.17 -0.60 0.22 0.00 0.21 0.00 0.00 66.02 65.68 2k8m s SER 38 CO -0.17 -2.00 0.76 0.47 0.41 0.00 0.00 173.24 172.72 2k8m n ASP 39 N -3.15 3.97 -4.71 2.44 9.92 -1.26 -0.79 116.55 122.97 2k8m n ASP 39 Ca 0.12 -3.26 -0.40 0.00 -0.53 0.00 0.00 54.79 50.72 2k8m n ASP 39 Cb 0.60 -0.89 -0.05 0.00 -0.64 0.00 0.00 41.12 40.14 2k8m n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k8m s PRO 40 N -1.82 4.39 -0.04 -0.24 0.05 -1.24 -0.91 135.00 135.20 2k8m s PRO 40 Ca 0.30 0.80 0.02 0.00 0.05 0.00 0.00 61.00 62.18 2k8m s PRO 40 Cb 0.00 -3.47 0.01 0.00 0.05 0.00 0.00 34.50 31.10 2k8m s PRO 40 CO -0.09 0.03 -0.10 1.52 0.05 0.00 0.00 177.00 178.40 2k8m s TYR 41 N 0.96 1.13 -0.33 0.56 1.13 0.23 -4.07 117.35 116.95 2k8m s TYR 41 Ca 0.35 -0.33 -0.25 0.00 -1.41 0.00 0.00 57.07 55.43 2k8m s TYR 41 Cb -0.17 -0.83 0.01 0.00 -1.10 0.00 0.00 41.96 39.87 2k8m s TYR 41 CO 0.16 -0.16 0.88 0.14 -2.51 0.00 0.00 175.55 174.06 2k8m s VAL 42 N 0.39 4.67 -0.16 -3.49 -7.23 -1.26 -0.05 120.40 113.26 2k8m s VAL 42 Ca -0.07 1.26 -0.05 0.00 -1.81 0.00 0.00 61.98 61.30 2k8m s VAL 42 Cb -0.11 -4.26 -0.03 0.00 0.56 0.00 0.00 36.38 32.53 2k8m s VAL 42 CO 0.01 -0.40 0.01 -1.59 -0.31 0.00 0.00 175.10 172.82 2k8m s LYS 43 N 3.26 3.79 -0.16 4.82 -2.85 0.54 -3.78 119.74 125.35 2k8m s LYS 43 Ca 0.36 -0.43 -0.20 0.00 -1.00 0.00 0.00 55.97 54.70 2k8m s LYS 43 Cb -0.13 -3.04 -0.03 0.00 -2.06 0.00 0.00 37.83 32.56 2k8m s LYS 43 CO 0.15 0.28 0.58 0.14 0.10 0.00 0.00 175.35 176.60 2k8m s VAL 44 N 0.31 5.08 0.11 1.79 -7.23 -1.17 -1.70 120.40 117.60 2k8m s VAL 44 Ca -0.00 1.13 0.09 0.00 -1.81 0.00 0.00 61.98 61.38 2k8m s VAL 44 Cb -0.13 -3.91 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 2k8m s VAL 44 CO 0.02 0.20 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.43 2k8m s PHE 45 N 1.36 1.85 0.48 2.82 0.40 -0.31 -3.96 117.98 120.62 2k8m s PHE 45 Ca 0.29 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 2k8m s PHE 45 Cb -0.16 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 2k8m s PHE 45 CO 0.11 0.23 0.01 -0.51 0.70 0.00 0.00 175.22 175.77 2k8m s LEU 46 N -1.99 2.42 0.00 -0.37 2.01 -1.26 -0.93 118.68 118.57 2k8m s LEU 46 Ca 0.08 -1.58 0.00 0.00 0.01 0.00 0.00 54.13 52.64 2k8m s LEU 46 Cb -0.10 -0.74 0.00 0.00 0.01 0.00 0.00 46.19 45.37 2k8m s LEU 46 CO 0.05 -0.75 0.00 0.00 1.01 0.00 0.00 176.35 176.66 2k8m n LEU 47 N -1.16 0.00 0.14 1.79 -0.00 -1.25 -4.67 117.00 111.86 2k8m n LEU 47 Ca -0.15 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 55.98 2k8m n LEU 47 Cb 0.67 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 44.36 2k8m n LEU 47 CO 0.41 -0.73 1.11 -0.65 -0.00 0.00 0.00 177.39 177.52 2k8m h PRO 48 N 0.00 0.00 -0.34 1.47 0.11 -1.98 -1.26 132.00 130.00 2k8m h PRO 48 Ca 0.00 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.18 2k8m h PRO 48 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2k8m h PRO 48 CO 0.00 0.00 -0.37 0.22 -0.21 0.00 0.00 178.00 177.64 2k8m h ASP 49 N 0.00 -1.22 -4.90 -2.05 3.58 -1.95 -3.45 116.42 106.44 2k8m h ASP 49 Ca 0.17 0.19 -0.18 0.00 0.42 0.00 0.00 57.03 57.63 2k8m h ASP 49 Cb 2.10 0.54 -0.05 0.00 1.72 0.00 0.00 39.33 43.64 2k8m h ASP 49 CO -0.00 -0.35 -0.25 0.29 -2.88 0.00 0.00 179.24 176.04 2k8m n LYS 50 N -5.42 -2.65 -0.75 0.28 4.76 -0.48 -4.80 118.16 109.11 2k8m n LYS 50 Ca -0.01 0.26 -0.12 0.00 -2.87 0.00 0.00 58.31 55.58 2k8m n LYS 50 Cb 0.34 -4.83 0.14 0.00 -1.84 0.00 0.00 35.03 28.84 2k8m n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k8m n LYS 51 N -2.91 2.09 -3.61 1.97 5.02 -1.26 -4.84 118.16 114.61 2k8m n LYS 51 Ca -0.04 -1.93 -0.09 0.00 -2.02 0.00 0.00 58.31 54.24 2k8m n LYS 51 Cb 0.54 -1.79 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 2k8m n LYS 51 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k8m s LYS 52 N -2.10 0.46 -0.30 1.97 -2.85 -1.26 -4.81 119.74 110.85 2k8m s LYS 52 Ca 0.36 0.29 -0.06 0.00 -1.00 0.00 0.00 55.97 55.56 2k8m s LYS 52 Cb 0.30 0.22 0.17 0.00 -2.06 0.00 0.00 37.83 36.46 2k8m s LYS 52 CO 0.08 -0.11 0.68 0.21 0.10 0.00 0.00 175.35 176.30 2k8m s LYS 53 N -0.51 0.53 -0.04 1.78 2.20 -1.26 -4.63 119.74 117.80 2k8m s LYS 53 Ca 0.02 1.09 0.04 0.00 -0.36 0.00 0.00 55.97 56.76 2k8m s LYS 53 Cb -0.03 0.63 -0.00 0.00 -1.51 0.00 0.00 37.83 36.92 2k8m s LYS 53 CO -0.04 -0.42 -0.16 0.12 -0.36 0.00 0.00 175.35 174.50 2k8m s PHE 54 N 2.85 1.60 -0.25 4.03 5.36 -1.25 -5.05 117.98 125.26 2k8m s PHE 54 Ca 0.09 -0.47 -0.06 0.00 -0.96 0.00 0.00 56.93 55.53 2k8m s PHE 54 Cb -0.13 -1.09 -0.01 0.00 -0.34 0.00 0.00 43.02 41.45 2k8m s PHE 54 CO -0.19 -0.18 0.03 -2.00 -1.46 0.00 0.00 175.22 171.42 2k8m s GLU 55 N 0.14 3.34 1.12 10.12 2.56 -1.26 -3.03 118.70 131.69 2k8m s GLU 55 Ca -0.05 -0.67 -0.18 0.00 0.00 0.00 0.00 54.97 54.06 2k8m s GLU 55 Cb -0.12 -3.21 0.26 0.00 2.00 0.00 0.00 34.13 33.06 2k8m s GLU 55 CO 0.02 -0.28 1.22 0.95 -0.56 0.00 0.00 175.26 176.61 2k8m s THR 56 N 1.52 1.75 0.26 -1.70 -4.23 -1.25 -5.01 115.64 106.98 2k8m s THR 56 Ca 0.05 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.26 2k8m s THR 56 Cb -0.15 -2.72 -0.09 0.00 1.34 0.00 0.00 72.50 70.87 2k8m s THR 56 CO 0.00 0.00 1.04 -0.75 -0.54 0.00 0.00 174.62 174.38 2k8m s LYS 57 N -5.68 4.71 0.10 3.99 2.20 -1.26 -4.95 119.74 118.86 2k8m s LYS 57 Ca 0.73 1.69 -0.31 0.00 -0.36 0.00 0.00 55.97 57.72 2k8m s LYS 57 Cb -0.06 -3.23 -0.08 0.00 -1.51 0.00 0.00 37.83 32.95 2k8m s LYS 57 CO 0.55 0.31 1.43 0.54 -0.36 0.00 0.00 175.35 177.82 2k8m s VAL 58 N -1.09 3.25 -0.85 4.02 0.11 -1.26 -4.77 120.40 119.80 2k8m s VAL 58 Ca 0.44 0.86 -0.05 0.00 -2.93 0.00 0.00 61.98 60.29 2k8m s VAL 58 Cb -0.30 -3.55 0.22 0.00 -1.53 0.00 0.00 36.38 31.22 2k8m s VAL 58 CO 0.37 0.05 0.75 -1.00 -3.33 0.00 0.00 175.10 171.95 2k8m s HIS 59 N 1.40 3.81 0.12 1.54 0.09 -1.26 -5.05 115.29 115.95 2k8m s HIS 59 Ca 0.66 -2.72 -0.31 0.00 -0.00 0.00 0.00 55.06 52.68 2k8m s HIS 59 Cb -0.37 -3.43 -0.09 0.00 -0.00 0.00 0.00 32.58 28.69 2k8m s HIS 59 CO 0.30 -0.84 1.62 -0.98 -0.00 0.00 0.00 174.74 174.84 2k8m s ARG 60 N -0.77 4.20 -0.49 1.40 1.04 -1.26 -3.64 118.95 119.43 2k8m s ARG 60 Ca 0.24 2.36 -0.24 0.00 -1.04 0.00 0.00 55.73 57.05 2k8m s ARG 60 Cb -0.11 -3.37 0.03 0.00 -2.04 0.00 0.00 34.95 29.46 2k8m s ARG 60 CO -0.09 -0.67 0.64 1.63 -0.04 0.00 0.00 175.30 176.76 2k8m n LYS 61 N 4.78 -2.06 -3.64 3.89 4.76 -1.05 -4.96 118.16 119.87 2k8m n LYS 61 Ca 0.15 1.69 -0.07 0.00 -2.87 0.00 0.00 58.31 57.21 2k8m n LYS 61 Cb 0.39 -3.90 -0.07 0.00 -1.84 0.00 0.00 35.03 29.62 2k8m n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k8m s THR 62 N -2.17 0.00 -1.33 -0.18 -1.32 0.03 -4.89 115.64 105.77 2k8m s THR 62 Ca 0.27 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.89 2k8m s THR 62 Cb -0.05 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.26 2k8m s THR 62 CO 0.82 0.00 1.23 0.18 -2.21 0.00 0.00 174.62 174.64 2k8m n LEU 63 N 2.26 2.93 -3.07 9.08 4.77 -1.26 -4.31 117.00 127.40 2k8m n LEU 63 Ca -0.13 -1.75 -0.18 0.00 -0.03 0.00 0.00 56.01 53.93 2k8m n LEU 63 Cb 0.56 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 2k8m n LEU 63 CO 0.02 0.70 -0.12 -3.20 -1.33 0.00 0.00 177.39 173.46 2k8m n ASN 64 N 0.80 -1.33 -4.69 -1.43 5.15 -1.26 -3.39 115.26 109.10 2k8m n ASN 64 Ca 0.13 -2.79 -0.42 0.00 -0.60 0.00 0.00 54.58 50.90 2k8m n ASN 64 Cb 0.44 0.36 -0.03 0.00 -0.53 0.00 0.00 39.78 40.03 2k8m n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k8m s PRO 65 N -0.08 4.43 -0.06 1.20 0.05 -1.25 -4.94 135.00 134.34 2k8m s PRO 65 Ca 0.33 1.29 0.05 0.00 0.05 0.00 0.00 61.00 62.72 2k8m s PRO 65 Cb 0.12 -3.53 -0.02 0.00 0.05 0.00 0.00 34.50 31.13 2k8m s PRO 65 CO -0.15 -0.24 -0.22 0.14 0.05 0.00 0.00 177.00 176.58 2k8m s VAL 66 N 1.77 2.37 0.00 -0.36 -7.23 -1.26 -3.40 120.40 112.29 2k8m s VAL 66 Ca 0.46 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 2k8m s VAL 66 Cb -0.18 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.87 2k8m s VAL 66 CO 0.19 0.57 0.00 0.33 -0.31 0.00 0.00 175.10 175.88 2k8m n PHE 67 N 2.83 0.00 -2.36 2.82 7.35 -1.17 -5.07 117.46 121.86 2k8m n PHE 67 Ca -0.17 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.51 2k8m n PHE 67 Cb 0.52 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.35 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k8m n ASN 68 N -0.81 -5.05 -4.78 -2.13 5.15 -0.93 -5.00 115.26 101.70 2k8m n ASN 68 Ca 0.00 -0.08 -0.36 0.00 -0.60 0.00 0.00 54.58 53.54 2k8m n ASN 68 Cb 0.00 -3.29 -0.02 0.00 -0.53 0.00 0.00 39.78 35.93 2k8m n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k8m s GLU 69 N -3.10 3.85 -0.25 1.20 0.41 -1.10 -4.81 118.70 114.90 2k8m s GLU 69 Ca 0.03 1.57 -0.08 0.00 -0.41 0.00 0.00 54.97 56.08 2k8m s GLU 69 Cb -0.00 -2.32 -0.03 0.00 -1.78 0.00 0.00 34.13 29.99 2k8m s GLU 69 CO 0.40 -0.43 0.08 -1.14 -0.49 0.00 0.00 175.26 173.69 2k8m s GLN 70 N -2.84 3.69 -0.17 1.61 0.74 -1.26 -3.05 119.66 118.38 2k8m s GLN 70 Ca 0.64 -0.46 -0.04 0.00 0.05 0.00 0.00 55.36 55.55 2k8m s GLN 70 Cb -0.23 -3.35 -0.02 0.00 1.10 0.00 0.00 33.01 30.51 2k8m s GLN 70 CO 0.28 -0.17 -0.03 0.12 -0.55 0.00 0.00 175.29 174.94 2k8m s PHE 71 N 1.58 3.02 -0.66 1.67 5.36 -1.08 -5.03 117.98 122.84 2k8m s PHE 71 Ca 0.06 -0.41 -0.20 0.00 -0.96 0.00 0.00 56.93 55.42 2k8m s PHE 71 Cb -0.15 -2.01 0.10 0.00 -0.34 0.00 0.00 43.02 40.62 2k8m s PHE 71 CO 0.04 -0.15 0.85 0.99 -1.46 0.00 0.00 175.22 175.50 2k8m s THR 72 N 0.67 4.64 -1.29 0.12 2.01 -1.26 -2.74 115.64 117.80 2k8m s THR 72 Ca -0.02 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 2k8m s THR 72 Cb -0.14 -4.60 0.08 0.00 0.01 0.00 0.00 72.50 67.85 2k8m s THR 72 CO 0.02 -1.30 1.69 0.12 -0.69 0.00 0.00 174.62 174.47 2k8m s PHE 73 N 3.14 2.89 -0.85 4.92 5.36 -0.80 -4.92 117.98 127.71 2k8m s PHE 73 Ca 0.18 -1.70 -0.25 0.00 -0.96 0.00 0.00 56.93 54.20 2k8m s PHE 73 Cb -0.19 -4.69 -0.06 0.00 -0.34 0.00 0.00 43.02 37.74 2k8m s PHE 73 CO 0.05 -1.75 2.04 0.15 -1.46 0.00 0.00 175.22 174.25 2k8m s LYS 74 N 3.84 2.37 -0.24 10.12 -0.14 -1.26 -1.66 119.74 132.76 2k8m s LYS 74 Ca 0.52 -0.03 -0.14 0.00 -1.36 0.00 0.00 55.97 54.97 2k8m s LYS 74 Cb 0.03 -4.94 0.07 0.00 -1.68 0.00 0.00 37.83 31.31 2k8m s LYS 74 CO 0.07 -3.53 0.59 0.08 -0.76 0.00 0.00 175.35 171.80 2k8m s VAL 75 N 10.95 -0.03 0.39 3.17 1.01 -1.23 -4.90 120.40 129.76 2k8m s VAL 75 Ca 0.75 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.50 2k8m s VAL 75 Cb -0.09 -0.87 -0.11 0.00 0.00 0.00 0.00 36.38 35.32 2k8m s VAL 75 CO 0.03 0.01 1.21 -2.65 0.00 0.00 0.00 175.10 173.71 2k8m n PRO 76 N 4.33 1.84 0.00 2.72 -0.02 -1.26 -3.84 135.00 138.77 2k8m n PRO 76 Ca -0.21 0.65 0.03 0.00 -2.02 0.00 0.00 63.50 61.95 2k8m n PRO 76 Cb 0.57 -2.27 0.13 0.00 -0.02 0.00 0.00 33.50 31.92 2k8m n PRO 76 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2k8m n TYR 77 N -0.09 0.00 0.87 6.00 0.18 -1.26 -0.34 117.16 122.53 2k8m n TYR 77 Ca 0.07 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.95 2k8m n TYR 77 Cb 0.38 -0.42 0.02 0.00 -0.38 0.00 0.00 39.34 38.94 2k8m n TYR 77 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 2k8m n SER 78 N -1.42 2.08 -0.19 9.48 7.64 -1.26 -4.26 113.62 125.69 2k8m n SER 78 Ca 0.02 -1.54 0.06 0.00 1.01 0.00 0.00 58.87 58.43 2k8m n SER 78 Cb 0.06 0.36 0.11 0.00 -1.01 0.00 0.00 64.21 63.73 2k8m n SER 78 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k8m n GLU 79 N 0.24 2.12 0.08 1.43 2.13 0.54 -4.57 120.64 122.61 2k8m n GLU 79 Ca 0.09 -2.24 0.13 0.00 0.66 0.00 0.00 57.16 55.80 2k8m n GLU 79 Cb 0.44 -1.37 0.33 0.00 0.27 0.00 0.00 31.44 31.11 2k8m n GLU 79 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2k8m n LEU 80 N -0.90 0.70 -0.07 4.31 -0.00 -1.12 -3.87 117.00 116.05 2k8m n LEU 80 Ca 0.11 0.42 -0.10 0.00 -0.00 0.00 0.00 56.01 56.45 2k8m n LEU 80 Cb 0.54 -0.28 -0.03 0.00 -0.00 0.00 0.00 43.42 43.65 2k8m n LEU 80 CO 0.03 -0.11 0.95 1.23 -0.00 0.00 0.00 177.39 179.49 2k8m h GLY 81 N 4.58 0.38 -3.79 1.47 0.00 -1.85 -2.64 103.07 101.21 2k8m h GLY 81 Ca 0.00 -0.16 -0.56 0.00 0.00 0.00 0.00 47.33 46.61 2k8m h GLY 81 CO 0.00 0.15 0.58 0.61 0.00 0.00 0.00 176.54 177.89 2k8m n GLY 82 N -1.04 5.28 2.86 4.60 0.00 -1.25 -3.95 105.19 111.68 2k8m n GLY 82 Ca -0.02 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 2k8m n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8m s LYS 83 N -3.55 1.20 -0.26 1.61 2.47 -1.00 -5.02 119.74 115.19 2k8m s LYS 83 Ca 0.59 -1.02 -0.04 0.00 -1.56 0.00 0.00 55.97 53.94 2k8m s LYS 83 Cb 0.48 -2.42 0.01 0.00 -1.46 0.00 0.00 37.83 34.44 2k8m s LYS 83 CO 0.04 -0.75 -0.00 0.99 0.16 0.00 0.00 175.35 175.79 2k8m s THR 84 N 1.48 3.38 0.13 3.43 2.01 -1.26 -3.45 115.64 121.35 2k8m s THR 84 Ca 0.01 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 2k8m s THR 84 Cb -0.18 -2.70 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 2k8m s THR 84 CO -0.12 0.18 0.45 -1.48 -0.69 0.00 0.00 174.62 172.96 2k8m s LEU 85 N 1.42 4.30 -0.01 4.42 2.34 -1.26 -3.74 118.68 126.15 2k8m s LEU 85 Ca 0.02 0.83 0.07 0.00 0.06 0.00 0.00 54.13 55.10 2k8m s LEU 85 Cb -0.16 -3.21 -0.02 0.00 -0.56 0.00 0.00 46.19 42.24 2k8m s LEU 85 CO -0.02 0.10 -0.21 0.68 -1.06 0.00 0.00 176.35 175.84 2k8m s VAL 86 N -1.53 1.66 -0.27 1.48 -7.23 -0.10 -3.24 120.40 111.17 2k8m s VAL 86 Ca 0.38 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.64 2k8m s VAL 86 Cb -0.13 -1.38 0.05 0.00 0.56 0.00 0.00 36.38 35.48 2k8m s VAL 86 CO 0.20 0.45 -0.07 -0.32 -0.31 0.00 0.00 175.10 175.05 2k8m s MET 87 N -0.53 2.40 -0.16 4.82 0.00 0.47 -1.16 119.30 125.14 2k8m s MET 87 Ca 0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 55.69 54.49 2k8m s MET 87 Cb -0.08 -2.99 -0.01 0.00 0.00 0.00 0.00 34.83 31.74 2k8m s MET 87 CO -0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 175.02 174.36 2k8m s ALA 88 N 1.19 2.73 -0.25 4.11 0.00 -0.69 -1.63 121.76 127.23 2k8m s ALA 88 Ca -0.06 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 2k8m s ALA 88 Cb -0.19 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 2k8m s ALA 88 CO -0.04 0.07 0.66 0.54 0.00 0.00 0.00 175.76 176.99 2k8m s VAL 89 N 0.64 4.96 0.15 0.00 0.11 -0.84 -0.34 120.40 125.08 2k8m s VAL 89 Ca -0.05 1.21 0.03 0.00 -2.93 0.00 0.00 61.98 60.24 2k8m s VAL 89 Cb -0.15 -3.97 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 2k8m s VAL 89 CO 0.03 0.02 0.20 -0.47 -3.33 0.00 0.00 175.10 171.55 2k8m s TYR 90 N 2.49 3.32 0.33 1.54 5.04 0.92 -3.27 117.35 127.73 2k8m s TYR 90 Ca 0.28 0.07 -0.02 0.00 -2.44 0.00 0.00 57.07 54.96 2k8m s TYR 90 Cb -0.15 -1.60 -0.04 0.00 0.35 0.00 0.00 41.96 40.51 2k8m s TYR 90 CO 0.08 0.52 0.56 0.34 -1.34 0.00 0.00 175.55 175.72 2k8m s ASP 91 N -3.07 6.34 -0.35 4.32 2.15 -1.24 -0.60 116.67 124.21 2k8m s ASP 91 Ca 0.33 0.56 0.15 0.00 0.43 0.00 0.00 52.55 54.02 2k8m s ASP 91 Cb -0.11 -2.08 0.43 0.00 -0.30 0.00 0.00 42.92 40.86 2k8m s ASP 91 CO 0.26 -0.27 1.03 0.33 -0.17 0.00 0.00 175.17 176.35 2k8m n PHE 92 N -1.50 0.11 0.22 -5.34 7.35 -0.08 -4.77 117.46 113.44 2k8m n PHE 92 Ca -0.03 -2.66 0.13 0.00 -0.76 0.00 0.00 57.45 54.13 2k8m n PHE 92 Cb 0.55 0.14 0.69 0.00 0.35 0.00 0.00 39.48 41.21 2k8m n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k8m h ASP 93 N 2.77 0.00 -1.33 -2.13 2.03 -1.88 -3.42 116.42 112.46 2k8m h ASP 93 Ca -0.12 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 55.93 2k8m h ASP 93 Cb 1.19 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.64 2k8m h ASP 93 CO 0.36 0.00 -0.28 0.54 -1.03 0.00 0.00 179.24 178.82 2k8m n ARG 94 N -2.41 -0.94 0.09 4.15 3.00 -1.26 -4.75 116.66 114.53 2k8m n ARG 94 Ca -0.01 0.73 0.00 0.00 -0.01 0.00 0.00 57.85 58.55 2k8m n ARG 94 Cb 0.06 -4.85 0.00 0.00 0.00 0.00 0.00 32.46 27.67 2k8m n ARG 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k8m n PHE 95 N -3.50 -2.62 -1.52 -1.55 7.35 -1.26 -5.14 117.46 109.22 2k8m n PHE 95 Ca -0.14 0.51 -0.29 0.00 -0.76 0.00 0.00 57.45 56.78 2k8m n PHE 95 Cb 0.53 1.49 0.14 0.00 0.35 0.00 0.00 39.48 41.99 2k8m n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k8m s SER 96 N -2.44 3.51 -0.54 -2.13 0.01 -1.26 -4.92 113.70 105.93 2k8m s SER 96 Ca 0.00 0.99 -0.27 0.00 1.31 0.00 0.00 55.95 57.97 2k8m s SER 96 Cb 0.00 -1.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.65 2k8m s SER 96 CO 0.00 -2.56 1.70 -0.54 0.41 0.00 0.00 173.24 172.25 2k8m s LYS 97 N -5.26 3.00 -0.21 12.44 -0.14 -1.26 -4.84 119.74 123.47 2k8m s LYS 97 Ca 0.64 0.71 -0.36 0.00 -1.36 0.00 0.00 55.97 55.60 2k8m s LYS 97 Cb -0.15 -4.26 -0.12 0.00 -1.68 0.00 0.00 37.83 31.61 2k8m s LYS 97 CO 0.53 -2.29 1.93 0.72 -0.76 0.00 0.00 175.35 175.49 2k8m n HIS 98 N 11.18 2.07 -4.05 3.18 8.25 -1.26 -4.95 115.22 129.63 2k8m n HIS 98 Ca 0.18 0.21 -0.30 0.00 -0.26 0.00 0.00 57.72 57.55 2k8m n HIS 98 Cb 0.50 -2.58 -0.06 0.00 1.12 0.00 0.00 29.99 28.97 2k8m n HIS 98 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2k8m s ASP 99 N 4.89 5.58 -0.46 0.41 2.15 -1.26 -4.83 116.67 123.15 2k8m s ASP 99 Ca 0.99 -0.02 -0.29 0.00 0.43 0.00 0.00 52.55 53.67 2k8m s ASP 99 Cb -0.83 -1.51 0.02 0.00 -0.30 0.00 0.00 42.92 40.31 2k8m s ASP 99 CO 0.55 0.15 1.30 -0.63 -0.17 0.00 0.00 175.17 176.37 2k8m s ILE 100 N -1.46 4.00 0.38 4.11 1.01 -1.26 -3.73 121.20 124.25 2k8m s ILE 100 Ca 0.30 1.00 0.16 0.00 0.00 0.00 0.00 60.65 62.11 2k8m s ILE 100 Cb -0.12 -4.40 0.15 0.00 0.01 0.00 0.00 42.46 38.10 2k8m s ILE 100 CO 0.23 -0.92 1.89 0.16 0.00 0.00 0.00 174.94 176.30 2k8m h ILE 101 N 6.37 1.09 0.00 2.92 -2.65 -1.91 -3.43 117.51 119.90 2k8m h ILE 101 Ca -0.26 -1.04 0.00 0.00 1.03 0.00 0.00 64.86 64.60 2k8m h ILE 101 Cb 1.09 1.58 0.00 0.00 -2.05 0.00 0.00 36.82 37.43 2k8m h ILE 101 CO 1.12 0.29 0.00 0.61 0.03 0.00 0.00 178.15 180.19 2k8m n GLY 102 N -0.56 -0.76 3.88 0.16 0.00 -1.26 -4.26 105.19 102.38 2k8m n GLY 102 Ca -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.82 2k8m n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k8m s GLU 103 N -2.00 1.48 0.05 1.61 4.04 -0.37 -1.98 118.70 121.52 2k8m s GLU 103 Ca 0.00 -0.96 -0.26 0.00 0.04 0.00 0.00 54.97 53.80 2k8m s GLU 103 Cb 0.00 0.41 0.07 0.00 0.02 0.00 0.00 34.13 34.62 2k8m s GLU 103 CO 0.00 -0.69 0.61 -0.59 -1.84 0.00 0.00 175.26 172.75 2k8m s PHE 104 N -2.13 -0.56 0.01 4.83 -0.71 -0.65 -3.23 117.98 115.54 2k8m s PHE 104 Ca 0.21 0.67 -0.12 0.00 -1.04 0.00 0.00 56.93 56.65 2k8m s PHE 104 Cb -0.03 0.45 0.01 0.00 -1.21 0.00 0.00 43.02 42.24 2k8m s PHE 104 CO 0.06 -0.71 0.25 -1.59 -1.34 0.00 0.00 175.22 171.90 2k8m s LYS 105 N -2.45 0.66 -0.10 1.99 0.00 -1.26 -0.39 119.74 118.18 2k8m s LYS 105 Ca -0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 55.97 55.49 2k8m s LYS 105 Cb -0.01 0.28 0.05 0.00 0.00 0.00 0.00 37.83 38.16 2k8m s LYS 105 CO -0.01 -0.18 0.24 0.54 0.00 0.00 0.00 175.35 175.93 2k8m s VAL 106 N -1.80 -0.09 -0.18 1.79 0.11 -1.20 -5.05 120.40 113.98 2k8m s VAL 106 Ca -0.11 0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 58.83 2k8m s VAL 106 Cb -0.04 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2k8m s VAL 106 CO 0.01 0.07 1.61 -2.16 -3.33 0.00 0.00 175.10 171.30 2k8m s PRO 107 N 1.43 3.90 0.26 1.54 0.04 -1.26 -4.03 135.00 136.87 2k8m s PRO 107 Ca -0.08 1.79 0.22 0.00 0.04 0.00 0.00 61.00 62.97 2k8m s PRO 107 Cb -0.11 -4.01 0.99 0.00 0.04 0.00 0.00 34.50 31.41 2k8m s PRO 107 CO -0.08 -1.17 1.67 -1.33 0.04 0.00 0.00 177.00 176.12 2k8m n MET 108 N 7.49 0.17 0.00 4.56 2.81 -1.22 -2.04 117.12 128.89 2k8m n MET 108 Ca 0.18 0.48 -0.03 0.00 -1.81 0.00 0.00 57.70 56.52 2k8m n MET 108 Cb 0.45 -1.87 0.20 0.00 -0.71 0.00 0.00 33.22 31.29 2k8m n MET 108 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2k8m h ASN 109 N 0.00 0.52 0.93 7.83 -1.24 -1.68 -2.96 115.58 118.98 2k8m h ASN 109 Ca 0.00 -0.16 -0.16 0.00 0.71 0.00 0.00 56.30 56.69 2k8m h ASN 109 Cb 0.25 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 2k8m h ASN 109 CO 0.00 0.74 -1.15 0.74 -1.29 0.00 0.00 177.43 176.47 2k8m h THR 110 N 0.47 0.69 -3.64 -3.57 2.02 -1.76 -3.44 112.91 103.68 2k8m h THR 110 Ca 0.07 -2.17 -0.61 0.00 0.77 0.00 0.00 66.41 64.47 2k8m h THR 110 Cb 0.63 2.20 -0.12 0.00 -1.74 0.00 0.00 68.15 69.12 2k8m h THR 110 CO 0.04 0.39 0.46 -0.69 0.37 0.00 0.00 175.52 176.09 2k8m s VAL 111 N -2.91 4.57 0.11 3.16 1.01 -1.12 -5.02 120.40 120.21 2k8m s VAL 111 Ca -0.01 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 2k8m s VAL 111 Cb 0.08 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 2k8m s VAL 111 CO 0.79 -0.76 1.13 1.51 0.00 0.00 0.00 175.10 177.78 2k8m s ASP 112 N 2.18 7.19 -0.72 3.32 -4.77 -1.26 -4.85 116.67 117.76 2k8m s ASP 112 Ca 0.33 2.01 -0.04 0.00 -3.30 0.00 0.00 52.55 51.55 2k8m s ASP 112 Cb -0.11 -2.59 0.10 0.00 -1.09 0.00 0.00 42.92 39.23 2k8m s ASP 112 CO 0.24 -0.34 2.59 2.22 0.70 0.00 0.00 175.17 180.58 2k8m n PHE 113 N 3.23 1.98 -0.15 2.11 -1.74 -1.26 -4.66 117.46 116.96 2k8m n PHE 113 Ca 0.06 -2.21 -0.08 0.00 -0.56 0.00 0.00 57.45 54.66 2k8m n PHE 113 Cb 0.47 -1.47 0.00 0.00 1.52 0.00 0.00 39.48 40.00 2k8m n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k8m h GLY 114 N 4.29 0.68 0.00 4.97 0.00 -1.99 -3.47 103.07 107.55 2k8m h GLY 114 Ca 0.49 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2k8m h GLY 114 CO 1.07 0.32 0.00 1.42 0.00 0.00 0.00 176.54 179.35 2k8m n HIS 115 N -4.66 -0.10 -4.05 5.60 8.25 -1.26 -5.09 115.22 113.91 2k8m n HIS 115 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 2k8m n HIS 115 Cb 0.11 0.02 -0.13 0.00 1.12 0.00 0.00 29.99 31.11 2k8m n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k8m s VAL 116 N -0.04 0.35 -0.38 1.59 -7.23 -1.26 -3.85 120.40 109.58 2k8m s VAL 116 Ca 0.00 -0.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.51 2k8m s VAL 116 Cb 0.00 -0.39 0.12 0.00 0.56 0.00 0.00 36.38 36.67 2k8m s VAL 116 CO 0.00 -0.21 0.19 -0.89 -0.31 0.00 0.00 175.10 173.88 2k8m s THR 117 N -0.86 1.06 -0.29 5.32 2.01 0.99 -4.98 115.64 118.90 2k8m s THR 117 Ca -0.06 -2.06 -0.07 0.00 0.31 0.00 0.00 61.69 59.80 2k8m s THR 117 Cb -0.06 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.68 2k8m s THR 117 CO -0.00 -0.84 0.09 -1.61 -0.69 0.00 0.00 174.62 171.57 2k8m s GLU 118 N 0.87 3.24 0.23 4.92 8.01 -1.26 -1.09 118.70 133.61 2k8m s GLU 118 Ca 0.15 -0.76 -0.07 0.00 0.01 0.00 0.00 54.97 54.30 2k8m s GLU 118 Cb -0.22 -3.38 -0.02 0.00 -4.31 0.00 0.00 34.13 26.20 2k8m s GLU 118 CO -0.08 -0.39 0.32 -1.83 0.01 0.00 0.00 175.26 173.30 2k8m s GLU 119 N 1.54 1.39 -0.51 1.61 -1.05 -1.19 -5.04 118.70 115.46 2k8m s GLU 119 Ca 0.04 -1.43 -0.18 0.00 -0.15 0.00 0.00 54.97 53.26 2k8m s GLU 119 Cb -0.17 0.38 0.07 0.00 -0.44 0.00 0.00 34.13 33.98 2k8m s GLU 119 CO 0.03 -0.53 0.55 -1.58 0.95 0.00 0.00 175.26 174.67 2k8m s TRP 120 N -4.08 3.12 -0.09 4.83 0.23 -1.26 -3.57 118.94 118.13 2k8m s TRP 120 Ca 0.30 -0.78 -0.25 0.00 -2.03 0.00 0.00 56.10 53.35 2k8m s TRP 120 Cb 0.03 -3.48 -0.03 0.00 0.03 0.00 0.00 33.47 30.02 2k8m s TRP 120 CO 0.10 -0.98 0.77 0.50 0.96 0.00 0.00 176.95 178.31 2k8m s ARG 121 N 2.22 4.41 0.11 4.98 6.06 -0.19 -4.89 118.95 131.65 2k8m s ARG 121 Ca 0.10 0.99 -0.29 0.00 -2.50 0.00 0.00 55.73 54.03 2k8m s ARG 121 Cb -0.22 -3.49 -0.06 0.00 0.06 0.00 0.00 34.95 31.24 2k8m s ARG 121 CO 0.09 -0.06 0.93 0.16 -2.50 0.00 0.00 175.30 173.91 2k8m s ASP 122 N 0.94 7.46 -0.05 -2.12 -4.77 -1.26 0.08 116.67 116.93 2k8m s ASP 122 Ca 0.40 1.74 -0.03 0.00 -3.30 0.00 0.00 52.55 51.36 2k8m s ASP 122 Cb -0.18 -2.57 -0.04 0.00 -1.09 0.00 0.00 42.92 39.05 2k8m s ASP 122 CO 0.18 -0.04 0.08 -0.76 0.70 0.00 0.00 175.17 175.33 2k8m s LEU 123 N -0.07 3.96 0.07 2.11 1.43 0.95 -4.91 118.68 122.22 2k8m s LEU 123 Ca 0.45 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.87 2k8m s LEU 123 Cb -0.23 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 2k8m s LEU 123 CO 0.29 0.33 -0.21 0.00 0.23 0.00 0.00 176.35 176.99 2k8m s GLN 124 N -1.35 1.28 -1.28 1.70 -2.07 -1.20 -0.71 119.66 116.04 2k8m s GLN 124 Ca 0.19 -1.04 -0.18 0.00 -1.82 0.00 0.00 55.36 52.51 2k8m s GLN 124 Cb -0.12 -1.47 0.08 0.00 -1.09 0.00 0.00 33.01 30.41 2k8m s GLN 124 CO 0.09 0.36 1.69 -1.12 -1.32 0.00 0.00 175.29 174.99 2k8m s SER 125 N -1.49 6.85 -0.93 12.60 0.01 -1.26 -1.24 113.70 128.25 2k8m s SER 125 Ca 0.07 -2.47 -0.24 0.00 1.31 0.00 0.00 55.95 54.63 2k8m s SER 125 Cb -0.09 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.63 2k8m s SER 125 CO 0.03 -1.14 1.37 0.00 0.41 0.00 0.00 173.24 173.91 2k8m s ALA 126 N 3.96 2.78 0.08 1.44 0.00 -1.26 -4.83 121.76 123.92 2k8m s ALA 126 Ca 0.52 -2.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.11 2k8m s ALA 126 Cb 0.03 -4.41 -0.08 0.00 0.00 0.00 0.00 23.12 18.67 2k8m s ALA 126 CO 0.06 -3.46 1.56 -1.21 0.00 0.00 0.00 175.76 172.71 2k8m s GLU 127 N 4.96 4.23 0.00 0.00 2.02 -1.26 -4.69 118.70 123.96 2k8m s GLU 127 Ca 0.42 2.23 0.03 0.00 0.02 0.00 0.00 54.97 57.67 2k8m s GLU 127 Cb -0.03 -3.48 0.02 0.00 0.10 0.00 0.00 34.13 30.74 2k8m s GLU 127 CO -0.03 -0.65 0.59 1.63 0.02 0.00 0.00 175.26 176.82