#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 0.33 0.00 3.49 -2.85 -1.26 -4.77 119.74 114.68 2k8m s LYS 2 Ca 0.00 1.02 0.00 0.00 -1.00 0.00 0.00 55.97 55.99 2k8m s LYS 2 Cb 0.00 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 2k8m s LYS 2 CO 0.00 -0.27 0.02 -0.11 0.10 0.00 0.00 175.35 175.09 2k8m n LEU 3 N 5.39 0.03 0.00 2.77 7.94 -1.03 -4.47 117.00 127.63 2k8m n LEU 3 Ca -0.08 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 2k8m n LEU 3 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 2k8m n LEU 3 CO 0.00 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 2k8m n GLY 4 N 0.03 -0.34 3.10 -3.96 0.00 -1.25 -4.14 105.19 98.62 2k8m n GLY 4 Ca 0.00 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.96 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 0.66 -0.13 1.61 1.02 -1.11 0.08 119.74 121.88 2k8m s LYS 5 Ca 0.00 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.23 2k8m s LYS 5 Cb 0.00 -0.55 0.02 0.00 -0.52 0.00 0.00 37.83 36.78 2k8m s LYS 5 CO 0.00 0.12 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.24 2k8m s LEU 6 N -1.46 1.64 -0.18 3.17 0.20 -0.25 -1.61 118.68 120.20 2k8m s LEU 6 Ca -0.05 -0.44 -0.20 0.00 0.69 0.00 0.00 54.13 54.13 2k8m s LEU 6 Cb -0.09 -1.10 -0.03 0.00 -0.43 0.00 0.00 46.19 44.54 2k8m s LEU 6 CO 0.01 -0.03 0.58 -1.10 -0.29 0.00 0.00 176.35 175.52 2k8m s GLN 7 N 1.29 4.24 0.08 1.98 -1.52 -0.47 -2.55 119.66 122.72 2k8m s GLN 7 Ca -0.00 0.55 -0.05 0.00 -1.95 0.00 0.00 55.36 53.91 2k8m s GLN 7 Cb -0.14 -3.54 -0.02 0.00 -0.22 0.00 0.00 33.01 29.09 2k8m s GLN 7 CO -0.06 -0.13 0.11 1.52 -0.25 0.00 0.00 175.29 176.47 2k8m s TYR 8 N 1.56 0.34 -0.10 0.91 1.13 -0.46 -0.32 117.35 120.42 2k8m s TYR 8 Ca 0.28 -0.81 -0.01 0.00 -1.41 0.00 0.00 57.07 55.12 2k8m s TYR 8 Cb -0.16 -0.20 0.03 0.00 -1.10 0.00 0.00 41.96 40.53 2k8m s TYR 8 CO 0.11 -0.49 -0.04 -1.12 -2.51 0.00 0.00 175.55 171.49 2k8m s SER 9 N -2.90 1.98 -0.14 -0.18 0.01 0.16 -1.89 113.70 110.75 2k8m s SER 9 Ca 0.07 -0.24 -0.10 0.00 1.31 0.00 0.00 55.95 56.99 2k8m s SER 9 Cb 0.06 -0.67 -0.05 0.00 0.21 0.00 0.00 66.02 65.57 2k8m s SER 9 CO -0.09 -0.16 0.20 -0.76 0.41 0.00 0.00 173.24 172.84 2k8m s LEU 10 N 1.82 4.31 -0.05 2.44 1.43 0.32 -1.59 118.68 127.36 2k8m s LEU 10 Ca 0.05 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 2k8m s LEU 10 Cb -0.13 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.90 2k8m s LEU 10 CO -0.07 0.26 -0.13 -0.62 0.23 0.00 0.00 176.35 176.02 2k8m s ASP 11 N -0.29 1.81 -0.15 2.29 2.15 -0.53 -2.12 116.67 119.84 2k8m s ASP 11 Ca 0.14 -0.30 -0.08 0.00 0.43 0.00 0.00 52.55 52.75 2k8m s ASP 11 Cb -0.12 -0.65 -0.04 0.00 -0.30 0.00 0.00 42.92 41.80 2k8m s ASP 11 CO 0.03 0.08 0.11 -0.72 -0.17 0.00 0.00 175.17 174.51 2k8m s TYR 12 N 0.35 3.45 -0.09 -5.34 1.13 -1.26 0.58 117.35 116.16 2k8m s TYR 12 Ca -0.09 0.37 -0.01 0.00 -1.41 0.00 0.00 57.07 55.93 2k8m s TYR 12 Cb -0.13 -2.02 -0.03 0.00 -1.10 0.00 0.00 41.96 38.69 2k8m s TYR 12 CO 0.03 0.48 -0.04 0.34 -2.51 0.00 0.00 175.55 173.85 2k8m s ASP 13 N -0.37 4.85 -0.10 -0.18 -1.08 -0.40 -4.94 116.67 114.45 2k8m s ASP 13 Ca 0.11 0.00 0.14 0.00 -0.52 0.00 0.00 52.55 52.29 2k8m s ASP 13 Cb -0.12 -1.39 0.22 0.00 -1.46 0.00 0.00 42.92 40.18 2k8m s ASP 13 CO 0.01 0.33 1.11 2.22 0.52 0.00 0.00 175.17 179.36 2k8m n PHE 14 N 2.47 0.00 -0.12 -5.34 1.16 -1.26 -3.33 117.46 111.04 2k8m n PHE 14 Ca -0.18 -0.83 -0.16 0.00 -1.87 0.00 0.00 57.45 54.41 2k8m n PHE 14 Cb 0.53 -0.13 -0.12 0.00 -1.61 0.00 0.00 39.48 38.15 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 -1.16 0.66 0.00 3.97 10.64 -1.26 -4.63 117.38 125.60 2k8m n GLN 15 Ca 0.12 0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 2k8m n GLN 15 Cb 0.59 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.48 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 -3.13 0.89 -2.35 2.61 0.23 -1.26 -5.07 115.26 107.18 2k8m n ASN 16 Ca -0.41 -1.14 -0.01 0.00 -0.53 0.00 0.00 54.58 52.48 2k8m n ASN 16 Cb 0.99 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.70 2k8m n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k8m n ASN 17 N -0.07 -6.07 -3.59 0.53 3.02 -1.26 -4.90 115.26 102.92 2k8m n ASN 17 Ca 0.00 0.81 -0.05 0.00 -0.03 0.00 0.00 54.58 55.31 2k8m n ASN 17 Cb 0.11 -3.95 -0.03 0.00 -0.61 0.00 0.00 39.78 35.30 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k8m s GLN 18 N -1.37 0.38 -0.20 3.52 1.03 -1.21 -2.80 119.66 119.01 2k8m s GLN 18 Ca 0.05 -0.09 -0.06 0.00 0.04 0.00 0.00 55.36 55.30 2k8m s GLN 18 Cb -0.01 0.18 -0.03 0.00 0.03 0.00 0.00 33.01 33.17 2k8m s GLN 18 CO 0.53 -0.16 0.03 -0.51 -2.54 0.00 0.00 175.29 172.64 2k8m s LEU 19 N -1.93 3.44 -0.64 2.60 1.43 -0.62 -1.27 118.68 121.69 2k8m s LEU 19 Ca 0.07 -0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 52.81 2k8m s LEU 19 Cb -0.01 -1.88 0.06 0.00 0.03 0.00 0.00 46.19 44.39 2k8m s LEU 19 CO -0.05 0.08 1.00 -0.22 0.23 0.00 0.00 176.35 177.39 2k8m s LEU 20 N 0.94 4.16 -0.78 1.79 1.98 0.20 -1.57 118.68 125.39 2k8m s LEU 20 Ca 0.02 -0.77 -0.21 0.00 -2.89 0.00 0.00 54.13 50.29 2k8m s LEU 20 Cb -0.14 -2.53 0.09 0.00 0.66 0.00 0.00 46.19 44.27 2k8m s LEU 20 CO 0.02 -1.44 1.05 -0.69 -1.89 0.00 0.00 176.35 173.40 2k8m s VAL 21 N 4.24 4.46 -0.77 1.68 1.01 -0.80 -1.45 120.40 128.78 2k8m s VAL 21 Ca 0.26 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 2k8m s VAL 21 Cb -0.15 -4.74 0.17 0.00 0.00 0.00 0.00 36.38 31.67 2k8m s VAL 21 CO 0.13 -1.50 0.78 -0.83 0.00 0.00 0.00 175.10 173.68 2k8m s GLY 22 N 3.73 2.33 -0.02 4.51 0.00 -0.62 -1.56 107.32 115.69 2k8m s GLY 22 Ca 0.27 -2.95 -0.30 0.00 0.00 0.00 0.00 44.72 41.74 2k8m s GLY 22 CO 0.01 1.42 1.03 -0.26 0.00 0.00 0.00 173.10 175.31 2k8m s ILE 23 N 1.16 4.68 -0.07 0.90 -0.00 -1.18 -0.66 121.20 126.04 2k8m s ILE 23 Ca 0.17 1.94 -0.01 0.00 -0.00 0.00 0.00 60.65 62.75 2k8m s ILE 23 Cb -0.14 -4.24 -0.01 0.00 -0.00 0.00 0.00 42.46 38.07 2k8m s ILE 23 CO -0.05 0.10 0.05 0.40 -0.00 0.00 0.00 174.94 175.44 2k8m h ILE 24 N 4.86 0.00 -1.90 8.37 2.04 -1.00 -3.28 117.51 126.60 2k8m h ILE 24 Ca -0.38 -0.68 0.21 0.00 1.00 0.00 0.00 64.86 65.02 2k8m h ILE 24 Cb 1.19 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.14 2k8m h ILE 24 CO 0.80 0.00 0.65 0.00 0.00 0.00 0.00 178.15 179.60 2k8m s GLN 25 N -1.53 0.68 0.01 2.37 1.03 -1.06 -3.26 119.66 117.90 2k8m s GLN 25 Ca -0.01 -0.32 0.08 0.00 0.04 0.00 0.00 55.36 55.16 2k8m s GLN 25 Cb 0.00 0.27 -0.02 0.00 0.03 0.00 0.00 33.01 33.29 2k8m s GLN 25 CO 0.02 -0.30 -0.24 0.00 -2.54 0.00 0.00 175.29 172.22 2k8m s ALA 26 N -2.82 2.03 0.07 2.60 0.00 -1.22 -1.36 121.76 121.07 2k8m s ALA 26 Ca 0.10 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 51.01 2k8m s ALA 26 Cb 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2k8m s ALA 26 CO -0.04 0.49 -0.15 0.00 0.00 0.00 0.00 175.76 176.06 2k8m s ALA 27 N -0.66 1.24 -0.79 0.00 0.00 -0.63 -3.41 121.76 117.51 2k8m s ALA 27 Ca 0.10 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 2k8m s ALA 27 Cb -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2k8m s ALA 27 CO 0.00 0.19 0.67 0.39 0.00 0.00 0.00 175.76 177.01 2k8m n GLU 28 N 1.34 -4.46 -2.94 0.00 1.02 -1.15 -2.76 120.64 111.70 2k8m n GLU 28 Ca -0.21 0.52 -0.37 0.00 -0.02 0.00 0.00 57.16 57.09 2k8m n GLU 28 Cb 0.54 -4.60 -0.06 0.00 -0.02 0.00 0.00 31.44 27.30 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 -4.80 4.35 0.53 -4.62 1.43 -0.99 -3.96 118.68 110.62 2k8m s LEU 29 Ca 0.14 1.64 -0.20 0.00 -1.03 0.00 0.00 54.13 54.67 2k8m s LEU 29 Cb -0.06 -3.79 -0.06 0.00 0.03 0.00 0.00 46.19 42.30 2k8m s LEU 29 CO 0.45 -0.01 1.14 -2.84 0.23 0.00 0.00 176.35 175.32 2k8m s PRO 30 N -1.99 3.43 0.60 1.29 0.02 -1.26 -4.82 135.00 132.26 2k8m s PRO 30 Ca 0.46 1.66 -0.13 0.00 0.02 0.00 0.00 61.00 63.01 2k8m s PRO 30 Cb -0.18 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.21 2k8m s PRO 30 CO 0.23 -0.80 1.02 0.00 -0.33 0.00 0.00 177.00 177.12 2k8m s ALA 31 N -1.71 2.97 0.00 -1.55 0.00 -1.26 -4.74 121.76 115.47 2k8m s ALA 31 Ca 0.71 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2k8m s ALA 31 Cb -0.25 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2k8m s ALA 31 CO 0.29 -0.65 0.00 -0.11 0.00 0.00 0.00 175.76 175.29 2k8m n LEU 32 N -2.35 0.00 -4.79 0.00 -0.00 0.29 -4.95 117.00 105.20 2k8m n LEU 32 Ca 0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.77 2k8m n LEU 32 Cb 0.54 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.02 2k8m n LEU 32 CO 0.53 -0.05 0.71 -0.62 -0.00 0.00 0.00 177.39 177.95 2k8m s ASP 33 N -3.18 5.01 0.54 1.96 -1.08 0.24 -4.93 116.67 115.22 2k8m s ASP 33 Ca 0.00 1.75 0.34 0.00 -0.52 0.00 0.00 52.55 54.12 2k8m s ASP 33 Cb 0.00 -2.51 1.46 0.00 -1.46 0.00 0.00 42.92 40.41 2k8m s ASP 33 CO 0.00 -1.69 2.00 -0.03 0.52 0.00 0.00 175.17 175.97 2k8m h MET 34 N -0.75 0.00 -0.63 4.34 1.85 -1.97 -2.64 114.93 115.13 2k8m h MET 34 Ca -0.44 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 2k8m h MET 34 Cb 1.22 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.25 2k8m h MET 34 CO 0.54 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 177.46 2k8m n GLY 35 N -0.11 0.88 2.27 1.39 0.00 -1.26 -4.83 105.19 103.53 2k8m n GLY 35 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.30 0.47 0.00 -0.02 0.00 -0.99 -4.98 105.19 99.97 2k8m n GLY 36 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2k8m n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k8m n THR 37 N -3.45 0.00 -3.75 2.61 -2.24 -1.25 -4.85 114.28 101.36 2k8m n THR 37 Ca -0.13 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 2k8m n THR 37 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 2k8m n THR 37 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k8m s SER 38 N -0.57 -0.27 -0.71 3.42 0.01 -1.25 0.81 113.70 115.14 2k8m s SER 38 Ca 0.00 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 56.81 2k8m s SER 38 Cb 0.00 0.60 0.25 0.00 0.21 0.00 0.00 66.02 67.08 2k8m s SER 38 CO 0.00 -1.10 0.83 0.47 0.41 0.00 0.00 173.24 173.86 2k8m n ASP 39 N -0.36 4.11 -4.66 2.44 9.92 -1.26 0.23 116.55 126.97 2k8m n ASP 39 Ca -0.09 -3.42 -0.41 0.00 -0.53 0.00 0.00 54.79 50.34 2k8m n ASP 39 Cb 0.62 -0.77 -0.05 0.00 -0.64 0.00 0.00 41.12 40.28 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 -2.43 4.23 -0.04 -0.24 0.05 -1.23 -0.45 135.00 134.89 2k8m s PRO 40 Ca 0.37 0.77 0.02 0.00 0.05 0.00 0.00 61.00 62.21 2k8m s PRO 40 Cb 0.12 -3.59 0.01 0.00 0.05 0.00 0.00 34.50 31.09 2k8m s PRO 40 CO -0.01 -0.31 -0.09 1.52 0.05 0.00 0.00 177.00 178.16 2k8m s TYR 41 N 2.12 1.03 -0.07 0.56 1.13 0.98 -4.26 117.35 118.84 2k8m s TYR 41 Ca 0.32 -0.30 -0.27 0.00 -1.41 0.00 0.00 57.07 55.42 2k8m s TYR 41 Cb -0.16 -0.77 -0.03 0.00 -1.10 0.00 0.00 41.96 39.91 2k8m s TYR 41 CO 0.10 -0.16 0.86 0.14 -2.51 0.00 0.00 175.55 173.99 2k8m s VAL 42 N 0.44 4.92 -0.27 -3.49 -7.23 -1.26 -0.68 120.40 112.82 2k8m s VAL 42 Ca -0.07 1.77 0.02 0.00 -1.81 0.00 0.00 61.98 61.89 2k8m s VAL 42 Cb -0.11 -4.19 0.06 0.00 0.56 0.00 0.00 36.38 32.70 2k8m s VAL 42 CO 0.01 0.14 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.28 2k8m s LYS 43 N 1.29 2.20 0.06 4.82 -2.85 0.78 -3.24 119.74 122.80 2k8m s LYS 43 Ca 0.44 -1.39 -0.31 0.00 -1.00 0.00 0.00 55.97 53.72 2k8m s LYS 43 Cb -0.19 -2.96 -0.08 0.00 -2.06 0.00 0.00 37.83 32.54 2k8m s LYS 43 CO 0.20 -0.61 1.61 0.14 0.10 0.00 0.00 175.35 176.80 2k8m s VAL 44 N 1.10 3.16 0.00 1.79 -7.23 -1.17 -3.26 120.40 114.80 2k8m s VAL 44 Ca -0.07 0.59 0.05 0.00 -1.81 0.00 0.00 61.98 60.74 2k8m s VAL 44 Cb -0.20 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.33 2k8m s VAL 44 CO -0.05 -0.00 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.26 2k8m s PHE 45 N 2.64 2.73 0.36 2.82 0.08 -0.32 -4.26 117.98 122.03 2k8m s PHE 45 Ca 0.72 -0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.71 2k8m s PHE 45 Cb -0.38 -1.56 -0.06 0.00 -0.57 0.00 0.00 43.02 40.45 2k8m s PHE 45 CO 0.31 0.29 0.06 -0.51 -0.10 0.00 0.00 175.22 175.27 2k8m s LEU 46 N -1.26 3.02 0.00 -0.37 2.01 -1.26 -0.99 118.68 119.83 2k8m s LEU 46 Ca 0.15 -1.04 -0.03 0.00 0.01 0.00 0.00 54.13 53.22 2k8m s LEU 46 Cb -0.11 -1.35 0.04 0.00 0.01 0.00 0.00 46.19 44.78 2k8m s LEU 46 CO 0.05 -0.33 0.18 0.00 1.01 0.00 0.00 176.35 177.25 2k8m n LEU 47 N -1.03 0.00 0.28 1.79 -0.00 -1.22 -4.70 117.00 112.12 2k8m n LEU 47 Ca -0.03 -0.19 0.05 0.00 -0.00 0.00 0.00 56.01 55.83 2k8m n LEU 47 Cb 0.63 -0.15 0.14 0.00 -0.00 0.00 0.00 43.42 44.05 2k8m n LEU 47 CO 0.44 -0.94 1.04 -0.65 -0.00 0.00 0.00 177.39 177.29 2k8m h PRO 48 N 0.00 0.00 -0.20 1.47 0.11 -1.99 -1.29 132.00 130.11 2k8m h PRO 48 Ca -0.06 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.10 2k8m h PRO 48 Cb 0.18 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.22 2k8m h PRO 48 CO 0.04 0.00 -0.26 0.22 -0.21 0.00 0.00 178.00 177.79 2k8m h ASP 49 N 0.00 -0.83 -6.76 -2.05 3.58 -1.96 -3.46 116.42 104.94 2k8m h ASP 49 Ca 0.05 0.14 -0.55 0.00 0.42 0.00 0.00 57.03 57.08 2k8m h ASP 49 Cb 1.92 0.38 -0.24 0.00 1.72 0.00 0.00 39.33 43.11 2k8m h ASP 49 CO -0.00 -0.30 -0.82 0.29 -2.88 0.00 0.00 179.24 175.52 2k8m n LYS 50 N -5.38 -2.68 -1.00 0.28 4.76 -0.49 -4.84 118.16 108.81 2k8m n LYS 50 Ca -0.02 0.32 -0.12 0.00 -2.87 0.00 0.00 58.31 55.63 2k8m n LYS 50 Cb 0.30 -5.03 0.21 0.00 -1.84 0.00 0.00 35.03 28.68 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 -4.26 2.40 -3.64 1.97 5.02 -1.26 -4.93 118.16 113.46 2k8m n LYS 51 Ca 0.08 -3.08 -0.05 0.00 -2.02 0.00 0.00 58.31 53.24 2k8m n LYS 51 Cb 0.48 -2.04 -0.06 0.00 -0.02 0.00 0.00 35.03 33.39 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 -3.20 0.24 -0.29 1.97 -2.85 -1.26 -4.76 119.74 109.59 2k8m s LYS 52 Ca 0.51 0.23 -0.03 0.00 -1.00 0.00 0.00 55.97 55.68 2k8m s LYS 52 Cb 0.44 0.12 0.17 0.00 -2.06 0.00 0.00 37.83 36.50 2k8m s LYS 52 CO 0.07 -0.04 0.58 0.21 0.10 0.00 0.00 175.35 176.27 2k8m s LYS 53 N -0.16 0.54 -0.03 1.78 2.20 -1.26 -4.65 119.74 118.16 2k8m s LYS 53 Ca 0.05 1.03 0.07 0.00 -0.36 0.00 0.00 55.97 56.76 2k8m s LYS 53 Cb -0.04 0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 36.75 2k8m s LYS 53 CO -0.10 -0.54 -0.24 0.12 -0.36 0.00 0.00 175.35 174.23 2k8m s PHE 54 N 2.82 2.20 -0.10 4.03 5.36 -1.26 -5.06 117.98 125.97 2k8m s PHE 54 Ca 0.15 -0.49 0.02 0.00 -0.96 0.00 0.00 56.93 55.66 2k8m s PHE 54 Cb -0.14 -1.43 -0.01 0.00 -0.34 0.00 0.00 43.02 41.09 2k8m s PHE 54 CO -0.20 -0.09 -0.17 -2.00 -1.46 0.00 0.00 175.22 171.30 2k8m s GLU 55 N -0.44 3.05 0.43 10.12 2.12 -1.26 -3.02 118.70 129.70 2k8m s GLU 55 Ca 0.06 -0.76 -0.06 0.00 0.36 0.00 0.00 54.97 54.57 2k8m s GLU 55 Cb -0.10 -2.45 0.10 0.00 0.26 0.00 0.00 34.13 31.93 2k8m s GLU 55 CO 0.00 0.30 0.59 0.25 -0.54 0.00 0.00 175.26 175.86 2k8m n THR 56 N 3.24 0.00 -2.98 -1.70 -2.24 -1.20 -5.04 114.28 104.36 2k8m n THR 56 Ca -0.18 -0.55 -0.40 0.00 -2.27 0.00 0.00 64.05 60.66 2k8m n THR 56 Cb 0.53 -1.59 -0.05 0.00 -2.10 0.00 0.00 70.33 67.11 2k8m n THR 56 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k8m s LYS 57 N -4.19 4.52 -0.17 -0.78 2.36 -1.26 -4.96 119.74 115.25 2k8m s LYS 57 Ca 0.35 1.10 -0.29 0.00 -2.55 0.00 0.00 55.97 54.58 2k8m s LYS 57 Cb -0.01 -3.33 -0.05 0.00 -1.05 0.00 0.00 37.83 33.39 2k8m s LYS 57 CO 0.24 0.38 2.03 0.54 1.55 0.00 0.00 175.35 180.09 2k8m s VAL 58 N -0.43 3.17 -1.11 4.02 0.11 -1.26 -4.77 120.40 120.12 2k8m s VAL 58 Ca 0.38 0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 59.48 2k8m s VAL 58 Cb -0.21 -3.19 0.21 0.00 -1.53 0.00 0.00 36.38 31.66 2k8m s VAL 58 CO 0.24 -0.10 1.22 -1.00 -3.33 0.00 0.00 175.10 172.14 2k8m s HIS 59 N 6.83 3.76 0.20 1.54 0.09 -1.26 -5.02 115.29 121.44 2k8m s HIS 59 Ca 0.91 -2.24 -0.31 0.00 -0.00 0.00 0.00 55.06 53.42 2k8m s HIS 59 Cb -0.33 -4.10 -0.10 0.00 -0.00 0.00 0.00 32.58 28.05 2k8m s HIS 59 CO 0.35 -1.21 1.56 -0.98 -0.00 0.00 0.00 174.74 174.47 2k8m s ARG 60 N 0.55 4.21 -0.39 1.40 1.04 -1.26 -3.51 118.95 120.98 2k8m s ARG 60 Ca 0.35 2.40 -0.27 0.00 -1.04 0.00 0.00 55.73 57.16 2k8m s ARG 60 Cb -0.06 -3.13 0.04 0.00 -2.04 0.00 0.00 34.95 29.76 2k8m s ARG 60 CO -0.05 -0.59 0.55 1.63 -0.04 0.00 0.00 175.30 176.80 2k8m n LYS 61 N 3.49 -1.96 -3.57 3.89 4.76 -0.84 -4.94 118.16 119.00 2k8m n LYS 61 Ca 0.12 1.61 -0.14 0.00 -2.87 0.00 0.00 58.31 57.03 2k8m n LYS 61 Cb 0.38 -3.05 -0.06 0.00 -1.84 0.00 0.00 35.03 30.46 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 -1.73 0.00 -0.89 -0.18 -1.32 0.14 -4.83 115.64 106.83 2k8m s THR 62 Ca 0.29 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.86 2k8m s THR 62 Cb -0.04 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.11 2k8m s THR 62 CO 0.75 0.00 1.00 0.18 -2.21 0.00 0.00 174.62 174.34 2k8m n LEU 63 N 1.42 2.25 -2.96 9.08 4.77 -1.26 -3.88 117.00 126.42 2k8m n LEU 63 Ca -0.15 -1.53 -0.10 0.00 -0.03 0.00 0.00 56.01 54.19 2k8m n LEU 63 Cb 0.57 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2k8m n LEU 63 CO 0.15 0.52 -0.01 0.21 -1.33 0.00 0.00 177.39 176.94 2k8m s ASN 64 N -0.87 -0.62 0.34 -1.43 2.47 -1.26 -2.36 114.94 111.21 2k8m s ASN 64 Ca 0.14 -2.05 -0.26 0.00 0.42 0.00 0.00 52.86 51.11 2k8m s ASN 64 Cb 0.08 1.25 -0.09 0.00 -1.45 0.00 0.00 41.25 41.04 2k8m s ASN 64 CO 0.12 -0.09 1.03 -2.16 -3.72 0.00 0.00 177.10 172.28 2k8m s PRO 65 N 0.71 4.43 -0.03 0.43 0.04 -1.22 -4.96 135.00 134.40 2k8m s PRO 65 Ca 0.30 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.90 2k8m s PRO 65 Cb 0.00 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.75 2k8m s PRO 65 CO -0.09 0.09 -0.01 0.14 0.04 0.00 0.00 177.00 177.17 2k8m s VAL 66 N -1.48 0.22 0.00 -0.36 -7.23 -1.26 -3.38 120.40 106.91 2k8m s VAL 66 Ca 0.51 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 2k8m s VAL 66 Cb -0.24 -0.30 0.00 0.00 0.56 0.00 0.00 36.38 36.39 2k8m s VAL 66 CO 0.31 0.15 0.00 0.33 -0.31 0.00 0.00 175.10 175.58 2k8m n PHE 67 N 4.10 -0.41 -2.65 2.82 -0.00 -1.26 -5.05 117.46 115.01 2k8m n PHE 67 Ca -0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.10 2k8m n PHE 67 Cb 0.50 0.08 0.04 0.00 -0.00 0.00 0.00 39.48 40.11 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k8m n ASN 68 N -1.43 -2.24 -4.77 -2.13 5.15 -1.20 -5.01 115.26 103.62 2k8m n ASN 68 Ca 0.00 -0.30 -0.35 0.00 -0.60 0.00 0.00 54.58 53.33 2k8m n ASN 68 Cb 0.00 -2.71 0.01 0.00 -0.53 0.00 0.00 39.78 36.54 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 -4.55 3.27 -0.09 1.20 8.01 -1.24 -4.78 118.70 120.52 2k8m s GLU 69 Ca 0.02 1.60 -0.01 0.00 0.01 0.00 0.00 54.97 56.60 2k8m s GLU 69 Cb -0.00 -1.99 -0.03 0.00 -4.31 0.00 0.00 34.13 27.79 2k8m s GLU 69 CO 0.35 -0.91 -0.05 1.14 0.01 0.00 0.00 175.26 175.79 2k8m s GLN 70 N -3.37 3.01 -0.13 1.61 0.00 -1.26 -3.10 119.66 116.42 2k8m s GLN 70 Ca 0.72 -0.52 -0.01 0.00 -0.00 0.00 0.00 55.36 55.55 2k8m s GLN 70 Cb -0.24 -2.69 -0.02 0.00 0.00 0.00 0.00 33.01 30.06 2k8m s GLN 70 CO 0.29 0.56 -0.10 0.12 0.00 0.00 0.00 175.29 176.16 2k8m s PHE 71 N -0.52 2.89 -0.83 9.60 5.36 -0.60 -4.98 117.98 128.90 2k8m s PHE 71 Ca 0.08 -0.48 -0.20 0.00 -0.96 0.00 0.00 56.93 55.37 2k8m s PHE 71 Cb -0.12 -1.87 0.11 0.00 -0.34 0.00 0.00 43.02 40.80 2k8m s PHE 71 CO 0.02 -0.11 1.05 0.95 -1.46 0.00 0.00 175.22 175.67 2k8m s THR 72 N 0.27 4.62 -1.28 0.12 -4.23 -1.26 -1.91 115.64 111.97 2k8m s THR 72 Ca -0.07 -1.20 -0.18 0.00 -1.18 0.00 0.00 61.69 59.06 2k8m s THR 72 Cb -0.15 -4.73 0.02 0.00 1.34 0.00 0.00 72.50 68.98 2k8m s THR 72 CO 0.04 -1.47 1.89 0.33 -0.54 0.00 0.00 174.62 174.88 2k8m n PHE 73 N 6.85 3.94 -1.84 3.99 7.35 -0.61 -4.90 117.46 132.24 2k8m n PHE 73 Ca 0.14 -2.58 -0.39 0.00 -0.76 0.00 0.00 57.45 53.86 2k8m n PHE 73 Cb 0.48 -2.56 -0.03 0.00 0.35 0.00 0.00 39.48 37.72 2k8m n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2k8m s LYS 74 N 4.42 2.65 -0.30 -4.13 -0.14 -1.26 -1.59 119.74 119.39 2k8m s LYS 74 Ca 0.55 1.16 -0.23 0.00 -1.36 0.00 0.00 55.97 56.09 2k8m s LYS 74 Cb 0.06 -4.41 0.20 0.00 -1.68 0.00 0.00 37.83 32.00 2k8m s LYS 74 CO 0.06 -2.67 1.44 0.54 -0.76 0.00 0.00 175.35 173.95 2k8m s VAL 75 N 9.54 0.00 0.53 3.17 0.11 -1.12 -4.81 120.40 127.82 2k8m s VAL 75 Ca 0.82 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.65 2k8m s VAL 75 Cb -0.18 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.62 2k8m s VAL 75 CO 0.26 0.00 1.35 -2.84 -3.33 0.00 0.00 175.10 170.54 2k8m s PRO 76 N 0.27 3.23 0.63 1.54 0.02 -1.26 -3.39 135.00 136.04 2k8m s PRO 76 Ca 0.04 2.21 0.42 0.00 0.02 0.00 0.00 61.00 63.69 2k8m s PRO 76 Cb -0.04 -2.30 2.18 0.00 0.02 0.00 0.00 34.50 34.36 2k8m s PRO 76 CO -0.15 -1.11 2.27 0.10 -0.33 0.00 0.00 177.00 177.78 2k8m h TYR 77 N 1.57 0.00 0.00 6.54 -0.00 -1.90 0.27 116.97 123.45 2k8m h TYR 77 Ca -0.51 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.14 2k8m h TYR 77 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.01 2k8m h TYR 77 CO 0.47 0.00 -0.38 0.77 -0.00 0.00 0.00 178.16 179.02 2k8m h SER 78 N 0.00 0.00 -0.11 0.10 0.02 -2.02 -2.84 113.55 108.70 2k8m h SER 78 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k8m h SER 78 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2k8m h SER 78 CO 0.00 0.38 0.00 -0.62 -1.14 0.00 0.00 176.83 175.45 2k8m n GLU 79 N -3.49 2.16 0.13 3.45 1.02 0.07 -4.19 120.64 119.79 2k8m n GLU 79 Ca 0.00 -1.71 0.04 0.00 -0.02 0.00 0.00 57.16 55.47 2k8m n GLU 79 Cb 0.53 -1.47 0.44 0.00 -0.02 0.00 0.00 31.44 30.93 2k8m n GLU 79 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k8m h LEU 80 N 3.92 0.22 -1.87 -4.62 6.46 -1.28 -1.82 115.31 116.31 2k8m h LEU 80 Ca 0.00 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2k8m h LEU 80 Cb 0.84 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 2k8m h LEU 80 CO 0.00 0.30 0.00 1.23 -0.62 0.00 0.00 178.44 179.35 2k8m h GLY 81 N 0.57 0.00 -0.78 3.75 0.00 -1.77 -2.69 103.07 102.16 2k8m h GLY 81 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2k8m h GLY 81 CO 0.01 0.00 -0.34 0.61 0.00 0.00 0.00 176.54 176.82 2k8m n GLY 82 N -0.50 3.88 2.97 4.60 0.00 -0.72 -4.43 105.19 110.99 2k8m n GLY 82 Ca -0.01 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.24 1.96 -0.14 1.61 2.47 -0.99 -5.03 119.74 117.38 2k8m s LYS 83 Ca 0.29 -0.50 0.02 0.00 -1.56 0.00 0.00 55.97 54.22 2k8m s LYS 83 Cb 0.28 -1.98 0.00 0.00 -1.46 0.00 0.00 37.83 34.67 2k8m s LYS 83 CO -0.03 -0.29 -0.19 0.99 0.16 0.00 0.00 175.35 175.99 2k8m s THR 84 N 1.56 2.36 0.12 3.43 2.01 -1.26 -3.77 115.64 120.08 2k8m s THR 84 Ca 0.04 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.21 2k8m s THR 84 Cb -0.13 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 2k8m s THR 84 CO -0.09 0.54 0.02 -1.48 -0.69 0.00 0.00 174.62 172.91 2k8m s LEU 85 N 0.69 3.47 -0.00 4.42 2.34 -1.26 -3.44 118.68 124.89 2k8m s LEU 85 Ca -0.09 -0.22 0.06 0.00 0.06 0.00 0.00 54.13 53.93 2k8m s LEU 85 Cb -0.16 -2.17 -0.02 0.00 -0.56 0.00 0.00 46.19 43.29 2k8m s LEU 85 CO 0.01 0.14 -0.18 0.68 -1.06 0.00 0.00 176.35 175.95 2k8m s VAL 86 N -1.46 1.39 -0.48 1.48 -7.23 -0.16 -3.39 120.40 110.55 2k8m s VAL 86 Ca 0.27 -0.80 -0.08 0.00 -1.81 0.00 0.00 61.98 59.55 2k8m s VAL 86 Cb -0.11 -1.17 0.12 0.00 0.56 0.00 0.00 36.38 35.79 2k8m s VAL 86 CO 0.19 0.35 0.34 -0.32 -0.31 0.00 0.00 175.10 175.35 2k8m s MET 87 N -0.53 2.45 -0.21 4.82 1.75 0.43 -1.18 119.30 126.84 2k8m s MET 87 Ca 0.06 -1.84 -0.10 0.00 -1.25 0.00 0.00 55.69 52.57 2k8m s MET 87 Cb -0.07 -3.88 -0.05 0.00 2.84 0.00 0.00 34.83 33.67 2k8m s MET 87 CO -0.00 -1.18 0.12 0.00 -0.65 0.00 0.00 175.02 173.31 2k8m s ALA 88 N 1.21 3.60 -0.32 4.11 0.00 -1.20 -2.01 121.76 127.16 2k8m s ALA 88 Ca 0.07 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 2k8m s ALA 88 Cb -0.25 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2k8m s ALA 88 CO -0.02 0.06 0.43 0.54 0.00 0.00 0.00 175.76 176.78 2k8m s VAL 89 N 0.56 5.11 0.05 0.00 0.11 -0.78 -0.15 120.40 125.29 2k8m s VAL 89 Ca 0.07 0.37 0.01 0.00 -2.93 0.00 0.00 61.98 59.50 2k8m s VAL 89 Cb -0.12 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.85 2k8m s VAL 89 CO 0.00 -0.05 0.10 -0.47 -3.33 0.00 0.00 175.10 171.35 2k8m s TYR 90 N 2.20 3.28 0.18 1.54 5.04 0.14 -2.85 117.35 126.88 2k8m s TYR 90 Ca 0.16 0.15 0.04 0.00 -2.44 0.00 0.00 57.07 54.98 2k8m s TYR 90 Cb -0.16 -1.69 -0.03 0.00 0.35 0.00 0.00 41.96 40.43 2k8m s TYR 90 CO 0.12 0.54 0.29 0.34 -1.34 0.00 0.00 175.55 175.50 2k8m s ASP 91 N -2.18 6.21 -0.35 4.32 2.15 -1.25 -0.01 116.67 125.55 2k8m s ASP 91 Ca 0.28 0.09 0.15 0.00 0.43 0.00 0.00 52.55 53.50 2k8m s ASP 91 Cb -0.12 -1.82 0.43 0.00 -0.30 0.00 0.00 42.92 41.11 2k8m s ASP 91 CO 0.20 0.01 0.93 0.33 -0.17 0.00 0.00 175.17 176.47 2k8m n PHE 92 N -0.80 1.29 0.33 -5.34 -0.00 0.40 -4.78 117.46 108.56 2k8m n PHE 92 Ca -0.08 -3.05 0.20 0.00 -0.00 0.00 0.00 57.45 54.53 2k8m n PHE 92 Cb 0.55 -0.36 1.06 0.00 -0.00 0.00 0.00 39.48 40.73 2k8m n PHE 92 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.76 177.14 2k8m h ASP 93 N 2.96 0.00 -0.83 -2.13 2.03 -1.89 -3.44 116.42 113.13 2k8m h ASP 93 Ca -0.02 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.07 2k8m h ASP 93 Cb 1.10 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.53 2k8m h ASP 93 CO 0.54 0.00 -0.22 0.54 -1.03 0.00 0.00 179.24 179.07 2k8m n ARG 94 N -2.97 -0.78 0.11 4.15 1.74 -1.26 -4.78 116.66 112.87 2k8m n ARG 94 Ca -0.03 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 2k8m n ARG 94 Cb 0.17 -4.76 0.00 0.00 -1.02 0.00 0.00 32.46 26.85 2k8m n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k8m n PHE 95 N -3.10 -2.26 -1.82 -1.55 7.35 -1.26 -5.12 117.46 109.70 2k8m n PHE 95 Ca -0.11 0.49 -0.30 0.00 -0.76 0.00 0.00 57.45 56.77 2k8m n PHE 95 Cb 0.43 1.11 0.06 0.00 0.35 0.00 0.00 39.48 41.43 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 -3.95 5.16 -1.33 -2.13 0.01 -1.26 -4.91 113.70 105.29 2k8m s SER 96 Ca 0.00 1.12 -0.15 0.00 1.31 0.00 0.00 55.95 58.23 2k8m s SER 96 Cb 0.00 -1.87 -0.00 0.00 0.21 0.00 0.00 66.02 64.35 2k8m s SER 96 CO 0.00 -1.52 2.20 0.29 0.41 0.00 0.00 173.24 174.62 2k8m n LYS 97 N -3.12 2.62 -1.52 12.44 4.76 -1.26 -4.85 118.16 127.24 2k8m n LYS 97 Ca 0.07 -2.43 -0.55 0.00 -2.87 0.00 0.00 58.31 52.53 2k8m n LYS 97 Cb 0.57 -3.19 -0.06 0.00 -1.84 0.00 0.00 35.03 30.51 2k8m n LYS 97 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2k8m n HIS 98 N 6.25 0.75 -4.55 2.13 1.44 -1.26 -4.98 115.22 114.99 2k8m n HIS 98 Ca 0.52 0.91 -0.28 0.00 -2.01 0.00 0.00 57.72 56.87 2k8m n HIS 98 Cb 0.38 -2.15 -0.10 0.00 0.12 0.00 0.00 29.99 28.25 2k8m n HIS 98 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2k8m s ASP 99 N -0.04 4.01 -0.44 4.39 2.15 -1.26 -4.81 116.67 120.68 2k8m s ASP 99 Ca 0.84 -1.37 -0.28 0.00 0.43 0.00 0.00 52.55 52.17 2k8m s ASP 99 Cb -1.11 -0.25 0.00 0.00 -0.30 0.00 0.00 42.92 41.26 2k8m s ASP 99 CO 0.54 -0.54 1.54 -0.63 -0.17 0.00 0.00 175.17 175.91 2k8m s ILE 100 N -2.72 3.73 0.42 4.11 1.01 -1.26 -3.88 121.20 122.61 2k8m s ILE 100 Ca 0.31 0.71 0.21 0.00 0.00 0.00 0.00 60.65 61.88 2k8m s ILE 100 Cb 0.08 -4.10 0.23 0.00 0.01 0.00 0.00 42.46 38.68 2k8m s ILE 100 CO 0.16 -0.78 2.02 0.16 0.00 0.00 0.00 174.94 176.50 2k8m h ILE 101 N 6.56 0.84 0.00 2.92 -2.65 -1.79 -3.41 117.51 119.97 2k8m h ILE 101 Ca -0.29 -0.64 0.00 0.00 1.03 0.00 0.00 64.86 64.97 2k8m h ILE 101 Cb 1.12 1.37 0.00 0.00 -2.05 0.00 0.00 36.82 37.26 2k8m h ILE 101 CO 1.10 0.16 0.00 0.61 0.03 0.00 0.00 178.15 180.06 2k8m n GLY 102 N -0.79 -0.60 3.81 0.16 0.00 -1.26 -3.60 105.19 102.92 2k8m n GLY 102 Ca -0.02 -1.02 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 1.54 -0.11 1.61 -1.05 0.99 -1.87 118.70 117.82 2k8m s GLU 103 Ca 0.00 -0.89 -0.10 0.00 -0.15 0.00 0.00 54.97 53.83 2k8m s GLU 103 Cb 0.00 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.22 2k8m s GLU 103 CO 0.00 -0.71 0.29 -0.59 0.95 0.00 0.00 175.26 175.21 2k8m s PHE 104 N -3.27 -0.32 0.05 4.83 -0.71 -0.85 -2.65 117.98 115.07 2k8m s PHE 104 Ca 0.13 0.77 0.02 0.00 -1.04 0.00 0.00 56.93 56.82 2k8m s PHE 104 Cb -0.04 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.86 2k8m s PHE 104 CO 0.05 -0.16 -0.08 -1.59 -1.34 0.00 0.00 175.22 172.10 2k8m s LYS 105 N 0.10 0.60 -0.08 1.99 0.00 -1.26 -0.43 119.74 120.67 2k8m s LYS 105 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 55.97 55.06 2k8m s LYS 105 Cb -0.02 -0.32 0.04 0.00 0.00 0.00 0.00 37.83 37.53 2k8m s LYS 105 CO 0.01 0.05 0.17 0.54 0.00 0.00 0.00 175.35 176.11 2k8m s VAL 106 N -1.75 -0.07 -0.23 1.79 0.11 -1.22 -5.05 120.40 113.98 2k8m s VAL 106 Ca -0.06 0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 58.89 2k8m s VAL 106 Cb -0.07 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 2k8m s VAL 106 CO -0.00 0.08 1.54 -2.16 -3.33 0.00 0.00 175.10 171.23 2k8m s PRO 107 N 1.31 3.84 0.17 1.54 0.04 -1.26 -4.17 135.00 136.46 2k8m s PRO 107 Ca -0.08 1.59 0.19 0.00 0.04 0.00 0.00 61.00 62.74 2k8m s PRO 107 Cb -0.11 -3.99 0.81 0.00 0.04 0.00 0.00 34.50 31.25 2k8m s PRO 107 CO -0.06 -1.23 1.57 -1.33 0.04 0.00 0.00 177.00 175.99 2k8m n MET 108 N 7.54 0.11 0.23 4.56 2.81 -1.25 -1.63 117.12 129.50 2k8m n MET 108 Ca 0.18 0.41 0.10 0.00 -1.81 0.00 0.00 57.70 56.58 2k8m n MET 108 Cb 0.45 -1.74 0.53 0.00 -0.71 0.00 0.00 33.22 31.75 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 0.00 0.07 7.83 -1.24 -1.77 -3.12 115.58 117.35 2k8m h ASN 109 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.66 2k8m h ASN 109 Cb 0.25 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 2k8m h ASN 109 CO 0.00 0.21 -1.96 0.41 -1.29 0.00 0.00 177.43 174.80 2k8m n THR 110 N -3.49 1.67 -2.66 -3.57 -1.04 -0.64 -4.76 114.28 99.78 2k8m n THR 110 Ca -0.01 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.05 61.09 2k8m n THR 110 Cb 0.38 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.10 2k8m n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k8m s VAL 111 N -2.51 3.94 0.57 12.58 1.01 -1.11 -5.01 120.40 129.88 2k8m s VAL 111 Ca -0.27 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 2k8m s VAL 111 Cb 0.07 -4.84 -0.05 0.00 0.00 0.00 0.00 36.38 31.56 2k8m s VAL 111 CO 0.69 -1.72 1.03 1.51 0.00 0.00 0.00 175.10 176.61 2k8m s ASP 112 N 3.75 6.04 -1.25 3.32 -4.77 -1.26 -4.78 116.67 117.73 2k8m s ASP 112 Ca 0.31 1.72 -0.05 0.00 -3.30 0.00 0.00 52.55 51.23 2k8m s ASP 112 Cb -0.11 -2.52 0.18 0.00 -1.09 0.00 0.00 42.92 39.38 2k8m s ASP 112 CO 0.12 -0.99 2.13 2.22 0.70 0.00 0.00 175.17 179.35 2k8m n PHE 113 N -1.96 2.66 0.08 2.11 -1.74 -1.26 -4.73 117.46 112.62 2k8m n PHE 113 Ca 0.08 -2.75 -0.13 0.00 -0.56 0.00 0.00 57.45 54.09 2k8m n PHE 113 Cb 0.53 -1.70 -0.08 0.00 1.52 0.00 0.00 39.48 39.75 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 5.77 -0.16 0.00 4.97 0.00 -2.02 -3.47 103.07 108.15 2k8m h GLY 114 Ca 0.58 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.97 2k8m h GLY 114 CO 1.45 -0.06 0.00 1.42 0.00 0.00 0.00 176.54 179.35 2k8m n HIS 115 N -5.09 0.00 -3.75 5.60 8.25 -1.26 -5.13 115.22 113.84 2k8m n HIS 115 Ca -0.08 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.15 2k8m n HIS 115 Cb 0.14 0.00 -0.18 0.00 1.12 0.00 0.00 29.99 31.08 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 0.00 0.31 -0.95 1.59 -7.23 -1.26 -4.39 120.40 108.47 2k8m s VAL 116 Ca 0.00 0.13 -0.20 0.00 -1.81 0.00 0.00 61.98 60.10 2k8m s VAL 116 Cb 0.00 -0.50 0.11 0.00 0.56 0.00 0.00 36.38 36.55 2k8m s VAL 116 CO 0.00 0.22 1.20 -0.89 -0.31 0.00 0.00 175.10 175.32 2k8m s THR 117 N 2.00 4.54 -0.24 5.32 2.01 -0.90 -4.89 115.64 123.48 2k8m s THR 117 Ca 0.05 -1.38 -0.04 0.00 0.31 0.00 0.00 61.69 60.63 2k8m s THR 117 Cb -0.12 -4.84 0.00 0.00 0.01 0.00 0.00 72.50 67.55 2k8m s THR 117 CO -0.05 -1.61 -0.02 -1.61 -0.69 0.00 0.00 174.62 170.64 2k8m s GLU 118 N 3.22 3.18 0.39 4.92 2.02 -1.26 -0.52 118.70 130.65 2k8m s GLU 118 Ca 0.36 -0.76 -0.13 0.00 0.02 0.00 0.00 54.97 54.46 2k8m s GLU 118 Cb -0.04 -3.08 0.05 0.00 0.10 0.00 0.00 34.13 31.16 2k8m s GLU 118 CO -0.09 -0.30 0.74 -1.83 0.02 0.00 0.00 175.26 173.80 2k8m s GLU 119 N 1.44 2.23 -0.61 1.61 -1.05 -0.79 -5.01 118.70 116.52 2k8m s GLU 119 Ca 0.04 -1.54 0.05 0.00 -0.15 0.00 0.00 54.97 53.37 2k8m s GLU 119 Cb -0.15 0.60 0.20 0.00 -0.44 0.00 0.00 34.13 34.33 2k8m s GLU 119 CO -0.02 -1.03 0.54 -2.67 0.95 0.00 0.00 175.26 173.03 2k8m n TRP 120 N -0.55 2.35 -2.18 4.83 2.14 -1.26 -1.35 117.44 121.42 2k8m n TRP 120 Ca -0.07 -4.04 -0.36 0.00 2.07 0.00 0.00 57.50 55.10 2k8m n TRP 120 Cb 0.60 -0.44 0.01 0.00 -0.81 0.00 0.00 31.31 30.67 2k8m n TRP 120 CO 0.00 0.00 0.00 0.50 2.07 0.00 0.00 177.69 180.26 2k8m s ARG 121 N -1.47 3.43 0.44 -2.67 6.06 -1.06 -4.64 118.95 119.04 2k8m s ARG 121 Ca 0.31 1.75 -0.21 0.00 -2.50 0.00 0.00 55.73 55.09 2k8m s ARG 121 Cb 0.04 -2.16 -0.10 0.00 0.06 0.00 0.00 34.95 32.79 2k8m s ARG 121 CO -0.13 -0.82 0.98 0.16 -2.50 0.00 0.00 175.30 173.00 2k8m s ASP 122 N -1.53 6.75 -0.08 -2.12 -4.77 -1.26 -1.09 116.67 112.57 2k8m s ASP 122 Ca 0.70 1.79 -0.11 0.00 -3.30 0.00 0.00 52.55 51.62 2k8m s ASP 122 Cb -0.28 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 38.95 2k8m s ASP 122 CO 0.32 -0.49 0.27 -0.76 0.70 0.00 0.00 175.17 175.21 2k8m s LEU 123 N -3.22 4.39 -0.06 2.11 1.43 0.11 -4.84 118.68 118.61 2k8m s LEU 123 Ca 0.63 0.67 0.05 0.00 -1.03 0.00 0.00 54.13 54.45 2k8m s LEU 123 Cb -0.12 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 2k8m s LEU 123 CO 0.16 0.31 -0.21 -1.10 0.23 0.00 0.00 176.35 175.75 2k8m s GLN 124 N -0.74 2.62 0.22 1.70 -0.21 -1.08 -2.48 119.66 119.69 2k8m s GLN 124 Ca 0.19 -0.83 -0.30 0.00 0.02 0.00 0.00 55.36 54.44 2k8m s GLN 124 Cb -0.14 -2.27 -0.09 0.00 1.00 0.00 0.00 33.01 31.51 2k8m s GLN 124 CO 0.08 0.43 1.35 -1.12 -2.12 0.00 0.00 175.29 173.91 2k8m s SER 125 N -0.27 6.82 -0.18 5.90 0.01 -1.26 -0.00 113.70 124.71 2k8m s SER 125 Ca 0.00 2.50 -0.04 0.00 1.31 0.00 0.00 55.95 59.72 2k8m s SER 125 Cb -0.13 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.56 2k8m s SER 125 CO 0.03 -0.58 0.17 0.00 0.41 0.00 0.00 173.24 173.26 2k8m s ALA 126 N -0.01 -0.00 -0.42 1.44 0.00 -1.24 -4.81 121.76 116.72 2k8m s ALA 126 Ca 0.57 0.08 -0.25 0.00 0.00 0.00 0.00 51.96 52.36 2k8m s ALA 126 Cb -0.38 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.60 2k8m s ALA 126 CO 0.41 -1.12 0.88 -1.21 0.00 0.00 0.00 175.76 174.71 2k8m s GLU 127 N 2.25 3.62 0.00 0.00 2.02 -1.26 -4.32 118.70 121.01 2k8m s GLU 127 Ca 0.05 0.24 0.16 0.00 0.02 0.00 0.00 54.97 55.44 2k8m s GLU 127 Cb -0.15 -3.88 0.13 0.00 0.10 0.00 0.00 34.13 30.32 2k8m s GLU 127 CO -0.10 -1.09 1.02 1.63 0.02 0.00 0.00 175.26 176.74