#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8q h ILE 2 N 0.00 1.37 -3.62 -0.61 2.04 -1.96 -3.47 117.51 111.26 2k8q h ILE 2 Ca 0.00 -3.04 -0.56 0.00 1.00 0.00 0.00 64.86 62.26 2k8q h ILE 2 Cb 0.00 2.79 0.14 0.00 -0.74 0.00 0.00 36.82 39.01 2k8q h ILE 2 CO 0.00 0.85 0.42 1.07 0.00 0.00 0.00 178.15 180.49 2k8q n THR 3 N -3.40 3.08 -0.03 -0.27 5.66 -1.26 -4.94 114.28 113.13 2k8q n THR 3 Ca -0.10 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.27 2k8q n THR 3 Cb 1.01 -1.48 -0.09 0.00 -1.55 0.00 0.00 70.33 68.22 2k8q n THR 3 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2k8q h PRO 4 N 1.57 0.10 -2.95 1.09 0.13 -1.90 -3.46 132.00 126.58 2k8q h PRO 4 Ca -0.48 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.47 2k8q h PRO 4 Cb 1.31 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.23 2k8q h PRO 4 CO 0.57 0.56 -0.27 1.03 -0.23 0.00 0.00 178.00 179.66 2k8q s ARG 5 N -4.27 0.59 -0.28 0.86 3.00 -1.25 -5.08 118.95 112.52 2k8q s ARG 5 Ca -0.15 0.07 -0.19 0.00 0.00 0.00 0.00 55.73 55.46 2k8q s ARG 5 Cb 0.03 0.27 0.09 0.00 0.00 0.00 0.00 34.95 35.34 2k8q s ARG 5 CO 0.70 -0.14 0.79 -0.59 0.00 0.00 0.00 175.30 176.05 2k8q s PHE 6 N -0.78 -0.85 0.04 -0.53 -0.12 -1.26 -0.59 117.98 113.89 2k8q s PHE 6 Ca -0.09 1.80 0.07 0.00 -0.05 0.00 0.00 56.93 58.67 2k8q s PHE 6 Cb -0.04 0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 2k8q s PHE 6 CO 0.03 -0.42 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.46 2k8q s SER 7 N 1.16 2.41 -0.01 1.98 0.01 0.16 -4.97 113.70 114.45 2k8q s SER 7 Ca -0.06 -0.51 0.04 0.00 1.31 0.00 0.00 55.95 56.73 2k8q s SER 7 Cb -0.05 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 2k8q s SER 7 CO -0.13 0.16 -0.10 -0.63 0.41 0.00 0.00 173.24 172.95 2k8q s ILE 8 N -0.78 3.40 0.05 1.44 1.01 -1.26 -0.07 121.20 124.98 2k8q s ILE 8 Ca 0.07 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.97 2k8q s ILE 8 Cb -0.09 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 2k8q s ILE 8 CO 0.02 0.44 -0.17 -0.89 0.00 0.00 0.00 174.94 174.34 2k8q s THR 9 N -0.92 1.34 0.02 2.92 2.01 0.10 -4.89 115.64 116.22 2k8q s THR 9 Ca 0.15 -1.12 0.05 0.00 0.31 0.00 0.00 61.69 61.09 2k8q s THR 9 Cb -0.11 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2k8q s THR 9 CO 0.05 0.06 -0.13 0.00 -0.69 0.00 0.00 174.62 173.91 2k8q s GLN 10 N -1.23 2.29 0.30 4.92 0.00 -1.26 -0.47 119.66 124.20 2k8q s GLN 10 Ca 0.04 -0.86 0.02 0.00 -0.00 0.00 0.00 55.36 54.56 2k8q s GLN 10 Cb -0.08 -2.32 -0.04 0.00 0.00 0.00 0.00 33.01 30.56 2k8q s GLN 10 CO 0.02 0.57 0.12 -0.51 0.00 0.00 0.00 175.29 175.48 2k8q s ASP 11 N -1.39 1.59 0.00 12.60 1.01 -0.66 -4.92 116.67 124.91 2k8q s ASP 11 Ca 0.15 -1.48 0.12 0.00 0.71 0.00 0.00 52.55 52.06 2k8q s ASP 11 Cb -0.11 0.25 0.42 0.00 1.01 0.00 0.00 42.92 44.49 2k8q s ASP 11 CO 0.06 -0.80 1.32 -1.84 0.21 0.00 0.00 175.17 174.12 2k8q n GLU 12 N -0.57 1.66 0.00 8.23 0.00 -1.26 -4.02 120.64 124.68 2k8q n GLU 12 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 57.16 56.14 2k8q n GLU 12 Cb 0.66 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.83 2k8q n GLU 12 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2k8q n GLU 13 N 0.30 0.69 -3.66 3.44 0.28 -1.26 -0.76 120.64 119.67 2k8q n GLU 13 Ca 0.12 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.08 2k8q n GLU 13 Cb 0.26 -0.76 0.02 0.00 1.43 0.00 0.00 31.44 32.39 2k8q n GLU 13 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2k8q n PHE 14 N -1.77 -1.49 -3.90 -1.84 -1.74 -1.26 -4.44 117.46 101.02 2k8q n PHE 14 Ca 0.00 -1.28 -0.36 0.00 -0.56 0.00 0.00 57.45 55.25 2k8q n PHE 14 Cb 0.26 0.63 -0.06 0.00 1.52 0.00 0.00 39.48 41.83 2k8q n PHE 14 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 2k8q s ILE 15 N -2.11 5.44 -0.38 1.97 -1.09 0.72 -1.66 121.20 124.09 2k8q s ILE 15 Ca 0.20 0.09 0.03 0.00 -2.23 0.00 0.00 60.65 58.74 2k8q s ILE 15 Cb -0.03 -3.41 0.11 0.00 -1.58 0.00 0.00 42.46 37.55 2k8q s ILE 15 CO 0.06 0.54 0.12 0.12 -1.23 0.00 0.00 174.94 174.55 2k8q s PHE 16 N -1.10 3.08 -0.24 3.97 5.36 0.38 -2.13 117.98 127.30 2k8q s PHE 16 Ca 0.18 -2.75 -0.13 0.00 -0.96 0.00 0.00 56.93 53.28 2k8q s PHE 16 Cb -0.12 -2.58 -0.04 0.00 -0.34 0.00 0.00 43.02 39.94 2k8q s PHE 16 CO 0.08 -0.88 0.27 -1.17 -1.46 0.00 0.00 175.22 172.06 2k8q s LEU 17 N 0.74 4.10 -0.08 6.12 1.98 -0.20 0.02 118.68 131.34 2k8q s LEU 17 Ca 0.13 0.24 -0.00 0.00 -2.89 0.00 0.00 54.13 51.60 2k8q s LEU 17 Cb -0.21 -2.28 -0.03 0.00 0.66 0.00 0.00 46.19 44.33 2k8q s LEU 17 CO -0.09 -0.04 -0.05 -1.59 -1.89 0.00 0.00 176.35 172.69 2k8q s LYS 18 N 1.41 2.92 -0.19 1.98 -2.85 0.89 0.11 119.74 124.01 2k8q s LYS 18 Ca 0.12 -0.52 0.01 0.00 -1.00 0.00 0.00 55.97 54.57 2k8q s LYS 18 Cb -0.15 -2.66 0.02 0.00 -2.06 0.00 0.00 37.83 32.98 2k8q s LYS 18 CO 0.07 0.61 -0.19 0.42 0.10 0.00 0.00 175.35 176.36 2k8q s ILE 19 N -0.65 2.12 -0.74 3.79 1.09 0.38 -0.67 121.20 126.53 2k8q s ILE 19 Ca 0.10 -0.96 -0.27 0.00 -1.10 0.00 0.00 60.65 58.42 2k8q s ILE 19 Cb -0.12 -1.91 0.03 0.00 -1.06 0.00 0.00 42.46 39.40 2k8q s ILE 19 CO 0.02 0.51 1.33 -0.36 -0.10 0.00 0.00 174.94 176.33 2k8q s PHE 20 N 1.29 2.24 0.32 3.97 0.08 0.24 -1.51 117.98 124.61 2k8q s PHE 20 Ca 0.04 -0.01 0.10 0.00 0.12 0.00 0.00 56.93 57.18 2k8q s PHE 20 Cb -0.13 -4.59 -0.05 0.00 -0.57 0.00 0.00 43.02 37.67 2k8q s PHE 20 CO -0.12 -2.09 -0.06 0.96 -0.10 0.00 0.00 175.22 173.80 2k8q s ILE 21 N 5.96 2.64 0.51 0.64 -4.36 -1.22 -3.81 121.20 121.55 2k8q s ILE 21 Ca 0.38 -2.11 -0.01 0.00 -0.26 0.00 0.00 60.65 58.64 2k8q s ILE 21 Cb -0.08 -2.66 0.10 0.00 1.25 0.00 0.00 42.46 41.08 2k8q s ILE 21 CO 0.15 -0.27 0.70 -1.20 0.24 0.00 0.00 174.94 174.55 2k8q n SER 22 N -0.83 0.84 -1.20 4.36 7.64 -1.26 -4.52 113.62 118.65 2k8q n SER 22 Ca -0.05 -1.73 0.05 0.00 1.01 0.00 0.00 58.87 58.15 2k8q n SER 22 Cb 0.61 -0.46 0.22 0.00 -1.01 0.00 0.00 64.21 63.58 2k8q n SER 22 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2k8q n ASN 23 N -3.00 3.43 -3.31 6.43 0.23 -1.26 -4.95 115.26 112.83 2k8q n ASN 23 Ca 0.11 -2.43 -0.23 0.00 -0.53 0.00 0.00 54.58 51.50 2k8q n ASN 23 Cb 0.40 -0.54 0.22 0.00 -2.08 0.00 0.00 39.78 37.78 2k8q n ASN 23 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2k8q n ILE 24 N 0.43 0.00 -1.49 1.53 -0.00 -1.26 -4.66 119.36 113.91 2k8q n ILE 24 Ca 0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 62.75 62.48 2k8q n ILE 24 Cb 0.71 -0.74 -0.08 0.00 -0.00 0.00 0.00 39.64 39.52 2k8q n ILE 24 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2k8q n ARG 25 N -3.87 0.71 -3.75 6.28 1.74 -1.26 -4.88 116.66 111.63 2k8q n ARG 25 Ca 0.10 0.09 -0.37 0.00 -0.77 0.00 0.00 57.85 56.91 2k8q n ARG 25 Cb 0.45 -2.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.30 2k8q n ARG 25 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2k8q s PHE 26 N 9.52 3.54 0.23 -1.55 2.19 -1.26 -4.96 117.98 125.70 2k8q s PHE 26 Ca 1.14 -2.45 0.02 0.00 0.33 0.00 0.00 56.93 55.97 2k8q s PHE 26 Cb -0.76 -3.24 -0.03 0.00 -1.31 0.00 0.00 43.02 37.68 2k8q s PHE 26 CO 0.41 -0.94 0.39 -1.12 1.83 0.00 0.00 175.22 175.79 2k8q s SER 27 N 1.61 6.34 -0.15 6.13 0.01 -1.26 -5.00 113.70 121.38 2k8q s SER 27 Ca 0.10 0.24 0.09 0.00 1.31 0.00 0.00 55.95 57.70 2k8q s SER 27 Cb -0.22 -1.94 0.53 0.00 0.21 0.00 0.00 66.02 64.59 2k8q s SER 27 CO -0.04 -0.08 1.31 0.00 0.41 0.00 0.00 173.24 174.84 2k8q n ALA 28 N -1.12 3.35 -3.31 1.44 0.00 -1.26 -4.65 120.51 114.96 2k8q n ALA 28 Ca -0.07 -1.22 -0.42 0.00 0.00 0.00 0.00 53.44 51.74 2k8q n ALA 28 Cb 0.55 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 2k8q n ALA 28 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2k8q n VAL 29 N 0.43 4.38 0.00 0.00 0.24 -1.26 -4.30 118.33 117.82 2k8q n VAL 29 Ca 0.18 -5.48 0.00 0.00 -2.04 0.00 0.00 64.34 56.99 2k8q n VAL 29 Cb 0.84 -2.38 0.00 0.00 -1.47 0.00 0.00 33.84 30.83 2k8q n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k8q n GLY 30 N 2.12 0.59 3.54 7.63 0.00 -1.26 -5.05 105.19 112.75 2k8q n GLY 30 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 2k8q n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k8q n LEU 31 N 0.00 1.91 -2.72 0.99 4.32 -1.26 -4.48 117.00 115.76 2k8q n LEU 31 Ca 0.00 -0.31 -0.07 0.00 -0.02 0.00 0.00 56.01 55.61 2k8q n LEU 31 Cb 0.00 -1.43 0.06 0.00 -1.62 0.00 0.00 43.42 40.43 2k8q n LEU 31 CO 0.00 -1.34 0.36 -0.62 -1.22 0.00 0.00 177.39 174.56 2k8q n GLU 32 N 8.87 0.56 -2.15 3.23 1.02 -1.26 -5.02 120.64 125.89 2k8q n GLU 32 Ca 0.43 -1.38 -0.42 0.00 -0.02 0.00 0.00 57.16 55.78 2k8q n GLU 32 Cb 0.42 -1.00 -0.03 0.00 -0.02 0.00 0.00 31.44 30.82 2k8q n GLU 32 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k8q s ILE 33 N 0.46 3.15 0.14 -3.67 1.01 -1.26 -4.67 121.20 116.36 2k8q s ILE 33 Ca 0.29 0.87 0.08 0.00 0.00 0.00 0.00 60.65 61.89 2k8q s ILE 33 Cb 0.23 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2k8q s ILE 33 CO -0.18 0.10 -0.18 0.27 0.00 0.00 0.00 174.94 174.95 2k8q s ILE 34 N 0.66 1.69 -0.14 2.92 -5.25 -1.08 -5.00 121.20 115.00 2k8q s ILE 34 Ca 0.62 -1.79 -0.02 0.00 -0.99 0.00 0.00 60.65 58.47 2k8q s ILE 34 Cb -0.38 -1.71 -0.02 0.00 2.95 0.00 0.00 42.46 43.30 2k8q s ILE 34 CO 0.34 -0.28 -0.09 -0.63 -1.79 0.00 0.00 174.94 172.50 2k8q s ILE 35 N -1.86 3.43 0.32 8.37 1.09 -1.26 -0.91 121.20 130.38 2k8q s ILE 35 Ca 0.12 -0.52 -0.05 0.00 -1.10 0.00 0.00 60.65 59.09 2k8q s ILE 35 Cb -0.07 -2.47 0.08 0.00 -1.06 0.00 0.00 42.46 38.94 2k8q s ILE 35 CO 0.05 0.51 0.33 0.00 -0.10 0.00 0.00 174.94 175.73 2k8q n GLN 36 N 3.57 -1.19 -0.31 2.79 1.13 0.97 -4.62 117.38 119.71 2k8q n GLN 36 Ca -0.18 -0.52 0.19 0.00 -1.94 0.00 0.00 57.00 54.55 2k8q n GLN 36 Cb 0.53 -0.44 0.45 0.00 0.11 0.00 0.00 30.24 30.89 2k8q n GLN 36 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 2k8q h GLU 37 N 0.00 0.50 0.00 -1.09 4.11 -2.00 -3.39 114.58 112.71 2k8q h GLU 37 Ca -0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2k8q h GLU 37 Cb 0.35 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2k8q h GLU 37 CO 0.08 0.33 -0.03 0.27 0.07 0.00 0.00 179.01 179.73 2k8q n ASN 38 N -4.66 0.00 -4.79 3.06 6.94 -1.26 -4.09 115.26 110.46 2k8q n ASN 38 Ca 0.23 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.50 2k8q n ASN 38 Cb 0.74 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 38.28 2k8q n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k8q s MET 39 N -1.99 1.50 -0.09 -3.83 0.23 -1.26 -2.49 119.30 111.37 2k8q s MET 39 Ca 0.00 0.43 -0.00 0.00 -1.03 0.00 0.00 55.69 55.09 2k8q s MET 39 Cb 0.00 -1.87 -0.03 0.00 -1.53 0.00 0.00 34.83 31.40 2k8q s MET 39 CO 0.00 -1.98 -0.07 0.42 -2.03 0.00 0.00 175.02 171.36 2k8q s ILE 40 N -3.23 3.69 -0.24 3.16 1.01 -0.02 -0.02 121.20 125.55 2k8q s ILE 40 Ca 0.63 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 2k8q s ILE 40 Cb -0.15 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 2k8q s ILE 40 CO 0.54 0.57 0.03 -0.63 0.00 0.00 0.00 174.94 175.45 2k8q s ILE 41 N -0.45 3.96 -0.47 2.92 -1.09 -0.08 -1.82 121.20 124.17 2k8q s ILE 41 Ca 0.07 -0.31 -0.15 0.00 -2.23 0.00 0.00 60.65 58.02 2k8q s ILE 41 Cb -0.12 -2.85 0.07 0.00 -1.58 0.00 0.00 42.46 37.98 2k8q s ILE 41 CO 0.02 0.36 0.39 0.12 -1.23 0.00 0.00 174.94 174.59 2k8q s PHE 42 N 1.56 3.25 -0.03 3.97 5.36 0.15 -2.63 117.98 129.61 2k8q s PHE 42 Ca 0.06 -0.90 0.18 0.00 -0.96 0.00 0.00 56.93 55.31 2k8q s PHE 42 Cb -0.15 -3.12 -0.28 0.00 -0.34 0.00 0.00 43.02 39.13 2k8q s PHE 42 CO 0.01 -0.78 0.38 1.58 -1.46 0.00 0.00 175.22 174.95 2k8q n HIS 43 N 5.20 0.00 -1.22 10.12 -0.00 -1.26 -1.51 115.22 126.55 2k8q n HIS 43 Ca -0.12 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.70 2k8q n HIS 43 Cb 0.44 -0.43 0.08 0.00 -0.12 0.00 0.00 29.99 29.95 2k8q n HIS 43 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2k8q n LEU 44 N -2.15 0.83 -1.40 0.27 0.00 -1.26 -4.72 117.00 108.57 2k8q n LEU 44 Ca -0.04 0.57 0.18 0.00 0.00 0.00 0.00 56.01 56.71 2k8q n LEU 44 Cb 0.50 -1.22 -0.07 0.00 0.00 0.00 0.00 43.42 42.62 2k8q n LEU 44 CO 0.38 -3.12 -0.50 -1.54 0.00 0.00 0.00 177.39 172.61 2k8q n SER 45 N -0.45 -8.17 0.00 1.96 3.41 -1.26 -4.16 113.62 104.95 2k8q n SER 45 Ca 0.10 1.13 0.07 0.00 -0.26 0.00 0.00 58.87 59.91 2k8q n SER 45 Cb 0.50 -4.62 0.37 0.00 -0.26 0.00 0.00 64.21 60.20 2k8q n SER 45 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2k8q n PRO 46 N -4.26 0.21 -4.31 4.33 -0.04 -1.26 -4.63 135.00 125.04 2k8q n PRO 46 Ca -0.05 0.15 -0.34 0.00 -0.04 0.00 0.00 63.50 63.21 2k8q n PRO 46 Cb 0.66 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 2k8q n PRO 46 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2k8q s TYR 47 N -2.57 3.03 -0.09 0.54 2.02 -1.26 -5.10 117.35 113.92 2k8q s TYR 47 Ca 0.14 -0.33 -0.15 0.00 -0.37 0.00 0.00 57.07 56.35 2k8q s TYR 47 Cb 0.10 -1.99 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 2k8q s TYR 47 CO 0.22 -0.08 0.38 -0.47 -1.57 0.00 0.00 175.55 174.03 2k8q s TYR 48 N 0.52 3.57 0.02 2.71 6.14 -1.26 -4.65 117.35 124.40 2k8q s TYR 48 Ca -0.03 0.81 0.06 0.00 0.64 0.00 0.00 57.07 58.56 2k8q s TYR 48 Cb -0.14 -2.37 -0.02 0.00 0.42 0.00 0.00 41.96 39.85 2k8q s TYR 48 CO 0.03 0.38 -0.18 -1.17 0.64 0.00 0.00 175.55 175.24 2k8q s LEU 49 N -0.07 2.11 -0.21 6.97 0.20 -0.57 -4.30 118.68 122.81 2k8q s LEU 49 Ca 0.22 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.63 2k8q s LEU 49 Cb -0.15 -0.89 0.05 0.00 -0.43 0.00 0.00 46.19 44.76 2k8q s LEU 49 CO 0.09 0.17 -0.10 -0.60 -0.29 0.00 0.00 176.35 175.61 2k8q s ARG 50 N -0.83 2.07 -0.23 1.98 6.06 -1.26 -0.67 118.95 126.06 2k8q s ARG 50 Ca 0.06 -0.96 -0.07 0.00 -2.50 0.00 0.00 55.73 52.26 2k8q s ARG 50 Cb -0.08 -2.54 -0.03 0.00 0.06 0.00 0.00 34.95 32.36 2k8q s ARG 50 CO 0.01 -0.47 0.07 -0.51 -2.50 0.00 0.00 175.30 171.90 2k8q s LEU 51 N 1.33 3.54 -0.34 -0.88 1.43 -0.76 -4.39 118.68 118.62 2k8q s LEU 51 Ca -0.03 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2k8q s LEU 51 Cb -0.17 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.19 2k8q s LEU 51 CO -0.08 0.01 0.07 -0.60 0.23 0.00 0.00 176.35 175.99 2k8q s ARG 52 N 1.34 2.19 0.23 1.70 3.00 -1.23 -0.84 118.95 125.34 2k8q s ARG 52 Ca 0.05 -1.51 -0.01 0.00 -1.00 0.00 0.00 55.73 53.26 2k8q s ARG 52 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 34.95 31.44 2k8q s ARG 52 CO 0.04 -0.80 0.43 -0.06 0.00 0.00 0.00 175.30 174.90 2k8q s PHE 53 N 1.18 3.48 -1.20 5.12 0.08 -1.26 -4.51 117.98 120.87 2k8q s PHE 53 Ca 0.01 0.36 0.14 0.00 0.12 0.00 0.00 56.93 57.56 2k8q s PHE 53 Cb -0.21 -1.87 0.67 0.00 -0.57 0.00 0.00 43.02 41.04 2k8q s PHE 53 CO -0.03 0.33 1.43 -0.35 -0.10 0.00 0.00 175.22 176.50 2k8q n PRO 54 N -0.87 0.10 -2.40 0.24 -0.04 -1.26 -4.76 135.00 126.00 2k8q n PRO 54 Ca -0.05 0.21 -0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2k8q n PRO 54 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 2k8q n PRO 54 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2k8q n HIS 55 N -1.40 -0.61 -4.20 0.54 8.25 -1.26 -5.14 115.22 111.41 2k8q n HIS 55 Ca 0.05 -0.68 -0.30 0.00 -0.26 0.00 0.00 57.72 56.52 2k8q n HIS 55 Cb 0.14 -0.11 -0.16 0.00 1.12 0.00 0.00 29.99 30.97 2k8q n HIS 55 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2k8q s GLU 56 N -2.59 2.47 0.54 -0.41 -1.05 -1.26 -4.59 118.70 111.80 2k8q s GLU 56 Ca 0.05 -0.63 0.09 0.00 -0.15 0.00 0.00 54.97 54.33 2k8q s GLU 56 Cb -0.00 -2.17 0.07 0.00 -0.44 0.00 0.00 34.13 31.59 2k8q s GLU 56 CO 0.03 -0.17 0.74 -0.51 0.95 0.00 0.00 175.26 176.30 2k8q s LEU 57 N 1.28 3.22 0.00 1.83 1.43 -1.04 -3.84 118.68 121.56 2k8q s LEU 57 Ca 0.01 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 2k8q s LEU 57 Cb -0.14 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2k8q s LEU 57 CO -0.08 -1.22 0.02 -0.51 0.23 0.00 0.00 176.35 174.79 2k8q s ILE 58 N -2.60 0.05 -0.42 -0.59 2.07 -0.80 -4.31 121.20 114.59 2k8q s ILE 58 Ca 0.60 -0.40 -0.12 0.00 -1.41 0.00 0.00 60.65 59.32 2k8q s ILE 58 Cb -0.07 -0.16 0.06 0.00 0.13 0.00 0.00 42.46 42.42 2k8q s ILE 58 CO 0.38 -0.22 0.29 -0.62 -1.91 0.00 0.00 174.94 172.85 2k8q s ASP 59 N -0.66 5.83 0.00 4.50 2.15 -1.26 -3.63 116.67 123.60 2k8q s ASP 59 Ca -0.07 -1.31 0.00 0.00 0.43 0.00 0.00 52.55 51.60 2k8q s ASP 59 Cb -0.05 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 2k8q s ASP 59 CO -0.00 -0.53 0.00 -0.67 -0.17 0.00 0.00 175.17 173.80 2k8q n ASP 60 N 5.03 1.62 0.21 -0.34 -0.08 -1.26 -5.00 116.55 116.73 2k8q n ASP 60 Ca -0.11 -0.71 0.07 0.00 -1.51 0.00 0.00 54.79 52.53 2k8q n ASP 60 Cb 0.44 0.00 0.42 0.00 2.34 0.00 0.00 41.12 44.32 2k8q n ASP 60 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2k8q h GLU 61 N 0.00 0.00 -0.14 -0.67 4.11 -2.04 -2.92 114.58 112.92 2k8q h GLU 61 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 2k8q h GLU 61 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k8q h GLU 61 CO 0.00 0.31 -0.58 0.07 0.07 0.00 0.00 179.01 178.88 2k8q h ARG 62 N 0.00 0.44 -6.73 1.06 -0.00 -1.99 -3.44 114.38 103.72 2k8q h ARG 62 Ca -0.00 -0.29 -0.53 0.00 -0.00 0.00 0.00 59.98 59.16 2k8q h ARG 62 Cb 0.76 0.04 0.07 0.00 -0.00 0.00 0.00 29.97 30.85 2k8q h ARG 62 CO 0.04 0.89 0.92 0.43 -0.00 0.00 0.00 179.97 182.26 2k8q n SER 63 N -3.92 3.87 -3.58 0.08 7.64 -1.11 -4.96 113.62 111.64 2k8q n SER 63 Ca -0.03 1.11 -0.05 0.00 1.01 0.00 0.00 58.87 60.91 2k8q n SER 63 Cb 0.62 -1.58 -0.02 0.00 -1.01 0.00 0.00 64.21 62.22 2k8q n SER 63 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k8q s THR 64 N 0.47 0.00 0.02 0.44 -1.32 -1.19 -4.87 115.64 109.19 2k8q s THR 64 Ca 0.69 -0.08 0.06 0.00 -1.21 0.00 0.00 61.69 61.15 2k8q s THR 64 Cb -0.51 -1.21 -0.02 0.00 -1.51 0.00 0.00 72.50 69.25 2k8q s THR 64 CO 0.42 0.00 -0.18 0.00 -2.21 0.00 0.00 174.62 172.65 2k8q s ALA 65 N -2.69 1.50 -0.08 11.08 0.00 -1.26 -0.39 121.76 129.91 2k8q s ALA 65 Ca 0.09 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.21 2k8q s ALA 65 Cb -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2k8q s ALA 65 CO -0.05 0.34 -0.21 -0.65 0.00 0.00 0.00 175.76 175.19 2k8q s GLN 66 N -0.86 2.54 -0.13 0.00 -0.21 0.54 -4.97 119.66 116.56 2k8q s GLN 66 Ca 0.06 -0.75 -0.21 0.00 0.02 0.00 0.00 55.36 54.48 2k8q s GLN 66 Cb -0.08 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 31.91 2k8q s GLN 66 CO 0.01 0.18 0.64 -0.47 -2.12 0.00 0.00 175.29 173.52 2k8q s TYR 67 N 0.32 3.47 -0.26 0.91 5.04 -1.26 -1.37 117.35 124.20 2k8q s TYR 67 Ca -0.14 1.05 -0.10 0.00 -2.44 0.00 0.00 57.07 55.44 2k8q s TYR 67 Cb -0.16 -2.77 -0.04 0.00 0.35 0.00 0.00 41.96 39.33 2k8q s TYR 67 CO 0.06 -0.02 0.15 -0.51 -1.34 0.00 0.00 175.55 173.89 2k8q s ASP 68 N 0.95 5.82 -0.13 4.32 1.01 0.66 -4.97 116.67 124.33 2k8q s ASP 68 Ca 0.32 -0.02 -0.16 0.00 0.71 0.00 0.00 52.55 53.40 2k8q s ASP 68 Cb -0.16 -2.06 -0.25 0.00 1.01 0.00 0.00 42.92 41.45 2k8q s ASP 68 CO 0.13 -0.01 0.46 -1.28 0.21 0.00 0.00 175.17 174.68 2k8q h SER 69 N 8.07 0.30 0.00 0.27 0.87 -1.94 0.33 113.55 121.44 2k8q h SER 69 Ca -0.36 -0.80 0.00 0.00 -1.23 0.00 0.00 61.79 59.39 2k8q h SER 69 Cb 1.18 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2k8q h SER 69 CO 0.59 1.62 0.06 0.07 -0.53 0.00 0.00 176.83 178.63 2k8q h LYS 70 N -0.40 0.00 0.00 2.24 -0.00 -1.97 -1.79 116.57 114.66 2k8q h LYS 70 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.32 2k8q h LYS 70 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.92 2k8q h LYS 70 CO 0.01 0.00 0.00 -3.47 -0.00 0.00 0.00 179.45 175.99 2k8q n ASP 71 N -2.99 0.33 -2.27 7.07 -0.08 -1.25 -5.00 116.55 112.36 2k8q n ASP 71 Ca -0.03 -0.65 -0.13 0.00 -1.51 0.00 0.00 54.79 52.47 2k8q n ASP 71 Cb 0.12 0.48 -0.01 0.00 2.34 0.00 0.00 41.12 44.05 2k8q n ASP 71 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2k8q n GLU 72 N -0.48 -2.04 -4.26 -0.67 1.02 0.10 -4.92 120.64 109.39 2k8q n GLU 72 Ca 0.00 0.66 -0.26 0.00 -0.02 0.00 0.00 57.16 57.54 2k8q n GLU 72 Cb 0.02 -5.20 -0.08 0.00 -0.02 0.00 0.00 31.44 26.15 2k8q n GLU 72 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k8q s ILE 74 N -1.83 3.78 -0.19 0.00 -1.09 -0.57 -0.24 121.20 121.06 2k8q s ILE 74 Ca 0.27 -0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 2k8q s ILE 74 Cb -0.09 -2.63 -0.02 0.00 -1.58 0.00 0.00 42.46 38.15 2k8q s ILE 74 CO 0.17 0.51 -0.05 0.20 -1.23 0.00 0.00 174.94 174.55 2k8q s ASN 75 N 0.16 4.41 -0.15 3.58 0.01 -0.47 -0.47 114.94 122.01 2k8q s ASN 75 Ca -0.02 -0.31 0.01 0.00 -0.71 0.00 0.00 52.86 51.83 2k8q s ASN 75 Cb -0.14 -1.74 -0.00 0.00 0.41 0.00 0.00 41.25 39.78 2k8q s ASN 75 CO 0.03 0.06 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.83 2k8q s VAL 76 N 1.00 2.63 -0.09 1.60 1.01 0.12 -0.34 120.40 126.33 2k8q s VAL 76 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 2k8q s VAL 76 Cb -0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2k8q s VAL 76 CO 0.00 0.52 0.05 -0.75 0.00 0.00 0.00 175.10 174.92 2k8q s LYS 77 N 0.76 3.11 -0.08 2.72 2.20 0.47 -1.04 119.74 127.88 2k8q s LYS 77 Ca -0.06 -0.34 -0.04 0.00 -0.36 0.00 0.00 55.97 55.17 2k8q s LYS 77 Cb -0.15 -2.91 0.04 0.00 -1.51 0.00 0.00 37.83 33.30 2k8q s LYS 77 CO 0.01 0.72 0.19 0.08 -0.36 0.00 0.00 175.35 175.98 2k8q s VAL 78 N -0.96 -0.09 0.12 4.02 1.01 -0.90 -3.16 120.40 120.44 2k8q s VAL 78 Ca 0.15 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 2k8q s VAL 78 Cb -0.12 -0.30 -0.06 0.00 0.00 0.00 0.00 36.38 35.90 2k8q s VAL 78 CO 0.04 0.08 0.89 0.00 0.00 0.00 0.00 175.10 176.11 2k8q s ALA 79 N 1.39 3.31 0.03 5.51 0.00 -1.24 -0.20 121.76 130.56 2k8q s ALA 79 Ca -0.07 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.25 2k8q s ALA 79 Cb -0.11 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 2k8q s ALA 79 CO -0.07 0.06 0.40 0.21 0.00 0.00 0.00 175.76 176.37 2k8q s LYS 80 N -0.32 3.85 0.52 0.00 2.36 -1.26 -1.91 119.74 122.98 2k8q s LYS 80 Ca 0.43 0.32 0.29 0.00 -2.55 0.00 0.00 55.97 54.45 2k8q s LYS 80 Cb -0.23 -3.13 1.41 0.00 -1.05 0.00 0.00 37.83 34.83 2k8q s LYS 80 CO 0.28 0.64 1.90 -0.07 1.55 0.00 0.00 175.35 179.65 2k8q h LEU 81 N 4.32 0.06 -7.78 5.43 3.38 -1.89 -3.38 115.31 115.46 2k8q h LEU 81 Ca -0.51 0.01 -0.49 0.00 0.09 0.00 0.00 57.88 56.98 2k8q h LEU 81 Cb 1.21 -0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.60 2k8q h LEU 81 CO 0.63 0.02 -0.80 0.20 0.09 0.00 0.00 178.44 178.59 2k8q s ASN 82 N -5.71 1.71 0.88 -0.43 0.01 -1.26 -5.12 114.94 105.02 2k8q s ASN 82 Ca -0.05 -0.24 -0.11 0.00 -0.71 0.00 0.00 52.86 51.75 2k8q s ASN 82 Cb 0.21 -0.70 0.12 0.00 0.41 0.00 0.00 41.25 41.29 2k8q s ASN 82 CO 0.77 -0.06 1.10 -0.75 -1.51 0.00 0.00 177.10 176.64 2k8q s LYS 83 N 1.22 1.39 -2.05 -0.60 2.20 -1.26 -3.22 119.74 117.43 2k8q s LYS 83 Ca -0.05 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 2k8q s LYS 83 Cb -0.14 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 2k8q s LYS 83 CO -0.02 -2.21 0.00 0.09 -0.36 0.00 0.00 175.35 172.85 2k8q n ASN 84 N -3.89 -5.41 -4.75 1.43 5.03 0.06 -4.95 115.26 102.78 2k8q n ASN 84 Ca 0.08 0.48 -0.36 0.00 0.87 0.00 0.00 54.58 55.65 2k8q n ASN 84 Cb 0.54 -4.60 -0.07 0.00 -1.02 0.00 0.00 39.78 34.62 2k8q n ASN 84 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2k8q s GLU 85 N -3.63 4.10 0.42 3.52 2.12 -1.20 -4.93 118.70 119.10 2k8q s GLU 85 Ca 0.00 -0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.31 2k8q s GLU 85 Cb 0.00 -3.38 0.04 0.00 0.26 0.00 0.00 34.13 31.05 2k8q s GLU 85 CO 0.00 0.36 0.31 2.48 -0.54 0.00 0.00 175.26 177.87 2k8q n TYR 86 N 3.25 -0.81 -4.24 5.30 4.11 -1.26 -4.61 117.16 118.90 2k8q n TYR 86 Ca -0.15 -1.77 -0.13 0.00 -0.00 0.00 0.00 57.90 55.85 2k8q n TYR 86 Cb 0.52 -0.34 -0.10 0.00 -0.00 0.00 0.00 39.34 39.42 2k8q n TYR 86 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2k8q s PHE 87 N -2.07 1.19 -0.03 -3.48 0.40 -1.26 -5.05 117.98 107.69 2k8q s PHE 87 Ca 0.24 -0.82 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 2k8q s PHE 87 Cb -0.02 -0.63 0.06 0.00 0.51 0.00 0.00 43.02 42.94 2k8q s PHE 87 CO 0.15 -0.00 0.89 0.39 0.70 0.00 0.00 175.22 177.35 2k8q n GLU 88 N -0.18 1.07 -0.00 0.44 1.02 -1.26 -4.72 120.64 117.01 2k8q n GLU 88 Ca -0.10 -1.34 0.01 0.00 -0.02 0.00 0.00 57.16 55.71 2k8q n GLU 88 Cb 0.61 -0.85 -0.02 0.00 -0.02 0.00 0.00 31.44 31.16 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k8q n ASP 89 N -0.45 3.49 0.11 1.62 9.92 -1.26 -4.57 116.55 125.41 2k8q n ASP 89 Ca 0.04 -0.11 0.10 0.00 -0.53 0.00 0.00 54.79 54.28 2k8q n ASP 89 Cb 0.51 1.11 0.44 0.00 -0.64 0.00 0.00 41.12 42.54 2k8q n ASP 89 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k8q n LEU 90 N -1.49 0.47 -0.00 0.64 4.77 -1.26 -1.18 117.00 118.94 2k8q n LEU 90 Ca -0.00 0.66 0.14 0.00 -0.03 0.00 0.00 56.01 56.77 2k8q n LEU 90 Cb 0.07 -0.65 0.54 0.00 -2.33 0.00 0.00 43.42 41.06 2k8q n LEU 90 CO 0.06 -0.65 0.86 0.47 -1.33 0.00 0.00 177.39 176.80 2k8q n ASP 91 N -2.06 0.10 -4.11 -1.43 9.92 -1.26 -4.59 116.55 113.11 2k8q n ASP 91 Ca 0.01 0.34 -0.34 0.00 -0.53 0.00 0.00 54.79 54.27 2k8q n ASP 91 Cb 0.13 -0.34 -0.14 0.00 -0.64 0.00 0.00 41.12 40.12 2k8q n ASP 91 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k8q s LEU 92 N -3.00 4.02 0.00 0.64 2.01 -0.33 -4.96 118.68 117.07 2k8q s LEU 92 Ca 0.14 -1.51 0.15 0.00 0.01 0.00 0.00 54.13 52.91 2k8q s LEU 92 Cb 0.19 -1.66 0.70 0.00 0.01 0.00 0.00 46.19 45.42 2k8q s LEU 92 CO 0.56 -0.29 1.43 -0.81 1.01 0.00 0.00 176.35 178.26 2k8q n PRO 93 N 4.51 0.13 -0.10 1.29 -0.04 -1.26 -2.52 135.00 137.01 2k8q n PRO 93 Ca -0.10 0.19 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 2k8q n PRO 93 Cb 0.43 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.23 2k8q n PRO 93 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k8q n THR 94 N -1.37 1.35 0.25 0.52 -2.24 -1.26 -3.89 114.28 107.64 2k8q n THR 94 Ca 0.06 -0.84 0.12 0.00 -2.27 0.00 0.00 64.05 61.12 2k8q n THR 94 Cb 0.14 -0.47 0.67 0.00 -2.10 0.00 0.00 70.33 68.57 2k8q n THR 94 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2k8q h LYS 95 N 0.00 0.00 0.12 -0.78 1.57 -1.80 0.23 116.57 115.91 2k8q h LYS 95 Ca -0.53 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 57.99 2k8q h LYS 95 Cb 2.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.53 2k8q h LYS 95 CO 0.03 0.14 -1.28 -0.07 -0.57 0.00 0.00 179.45 177.70 2k8q h LEU 96 N 0.00 0.39 -0.79 2.94 3.38 -1.74 -3.34 115.31 116.14 2k8q h LEU 96 Ca -0.00 -0.87 -0.09 0.00 0.09 0.00 0.00 57.88 57.01 2k8q h LEU 96 Cb 0.42 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2k8q h LEU 96 CO 0.02 1.57 -0.43 -0.07 0.09 0.00 0.00 178.44 179.62 2k8q h LEU 97 N -0.34 0.00 -6.65 1.67 3.38 -1.64 -3.26 115.31 108.48 2k8q h LEU 97 Ca -0.27 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 56.99 2k8q h LEU 97 Cb 1.72 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.40 2k8q h LEU 97 CO 0.07 0.43 2.66 0.00 0.09 0.00 0.00 178.44 181.69 2k8q n ALA 98 N -2.30 4.90 -1.45 1.53 0.00 0.78 -4.37 120.51 119.60 2k8q n ALA 98 Ca -0.00 -3.94 0.03 0.00 0.00 0.00 0.00 53.44 49.52 2k8q n ALA 98 Cb 0.55 -3.46 0.04 0.00 0.00 0.00 0.00 19.45 16.58 2k8q n ALA 98 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k8q n ARG 99 N 6.42 0.60 -0.47 0.00 -4.01 -1.26 -4.90 116.66 113.04 2k8q n ARG 99 Ca 0.49 -1.44 -0.06 0.00 -1.04 0.00 0.00 57.85 55.80 2k8q n ARG 99 Cb 0.41 -0.83 0.04 0.00 -3.04 0.00 0.00 32.46 29.04 2k8q n ARG 99 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2k8q n GLN 100 N -0.46 -0.22 0.00 2.89 6.02 -1.26 -5.05 117.38 119.30 2k8q n GLN 100 Ca 0.05 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 2k8q n GLN 100 Cb 0.62 -0.29 0.00 0.00 1.02 0.00 0.00 30.24 31.60 2k8q n GLN 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k8q n GLY 101 N 3.12 -0.35 0.73 1.08 0.00 -1.26 -4.96 105.19 103.54 2k8q n GLY 101 Ca 0.04 0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.12 2k8q n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k8q n ASP 102 N -2.28 1.10 -4.13 1.61 9.92 -1.26 -4.95 116.55 116.57 2k8q n ASP 102 Ca 0.00 -2.59 -0.43 0.00 -0.53 0.00 0.00 54.79 51.24 2k8q n ASP 102 Cb 0.00 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 2k8q n ASP 102 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k8q n LEU 103 N -0.36 6.07 -4.55 0.64 7.99 -1.26 -4.99 117.00 120.54 2k8q n LEU 103 Ca 0.09 -4.89 -0.34 0.00 -0.01 0.00 0.00 56.01 50.86 2k8q n LEU 103 Cb 0.82 -1.44 -0.12 0.00 -0.11 0.00 0.00 43.42 42.57 2k8q n LEU 103 CO -0.02 1.36 -0.37 0.00 -1.51 0.00 0.00 177.39 176.85 2k8q s ALA 104 N -0.82 2.98 0.00 -1.18 0.00 -1.26 -5.08 121.76 116.40 2k8q s ALA 104 Ca 0.35 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2k8q s ALA 104 Cb 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.80 2k8q s ALA 104 CO 0.02 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.64 2k8q n GLY 105 N 2.69 4.66 0.02 0.00 0.00 -1.26 -5.05 105.19 106.26 2k8q n GLY 105 Ca -0.18 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.21 2k8q n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8q n ALA 106 N -3.00 3.58 -2.53 4.61 0.00 -1.26 -4.97 120.51 116.94 2k8q n ALA 106 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 2k8q n ALA 106 Cb 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 19.45 18.84 2k8q n ALA 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k8q s ASP 107 N -2.14 2.26 -0.29 0.00 1.01 -1.26 -5.03 116.67 111.23 2k8q s ASP 107 Ca 0.05 -0.35 0.09 0.00 0.71 0.00 0.00 52.55 53.05 2k8q s ASP 107 Cb 0.09 -0.32 0.54 0.00 1.01 0.00 0.00 42.92 44.24 2k8q s ASP 107 CO 0.50 0.22 1.52 0.00 0.21 0.00 0.00 175.17 177.62 2k8q n ALA 108 N 2.69 4.28 -3.90 5.23 0.00 -1.26 -4.95 120.51 122.61 2k8q n ALA 108 Ca -0.15 -2.97 -0.26 0.00 0.00 0.00 0.00 53.44 50.05 2k8q n ALA 108 Cb 0.53 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2k8q n ALA 108 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k8q n LEU 109 N -1.02 -2.49 -3.86 0.00 4.32 -1.26 -4.94 117.00 107.75 2k8q n LEU 109 Ca 0.35 -0.92 -0.30 0.00 -0.02 0.00 0.00 56.01 55.12 2k8q n LEU 109 Cb 1.10 -2.39 -0.15 0.00 -1.62 0.00 0.00 43.42 40.35 2k8q n LEU 109 CO 0.24 0.42 -0.38 0.28 -1.22 0.00 0.00 177.39 176.73 2k8q s THR 110 N -3.71 1.28 -0.04 -5.08 -1.32 -1.26 -4.83 115.64 100.68 2k8q s THR 110 Ca 0.17 -1.31 -0.12 0.00 -1.21 0.00 0.00 61.69 59.22 2k8q s THR 110 Cb -0.09 -1.75 -0.05 0.00 -1.51 0.00 0.00 72.50 69.10 2k8q s THR 110 CO 0.86 -0.34 0.32 -0.70 -2.21 0.00 0.00 174.62 172.55 2k8q s GLU 111 N 1.47 3.77 -0.26 7.08 2.12 -1.26 -5.04 118.70 126.58 2k8q s GLU 111 Ca 0.01 0.24 -0.29 0.00 0.36 0.00 0.00 54.97 55.29 2k8q s GLU 111 Cb -0.18 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2k8q s GLU 111 CO -0.12 0.71 1.49 -0.80 -0.54 0.00 0.00 175.26 176.00 2k8q s ASN 112 N -1.04 6.49 0.17 -1.70 -0.87 -1.26 -4.97 114.94 111.76 2k8q s ASN 112 Ca 0.21 1.43 -0.19 0.00 -1.57 0.00 0.00 52.86 52.74 2k8q s ASN 112 Cb -0.15 -2.54 0.04 0.00 -0.02 0.00 0.00 41.25 38.59 2k8q s ASN 112 CO 0.10 -1.20 0.53 0.28 -2.57 0.00 0.00 177.10 174.25 2k8q s THR 113 N 4.90 0.03 0.40 1.60 -1.32 -1.26 -5.19 115.64 114.79 2k8q s THR 113 Ca 0.65 -0.46 0.05 0.00 -1.21 0.00 0.00 61.69 60.72 2k8q s THR 113 Cb -0.21 -1.29 -0.06 0.00 -1.51 0.00 0.00 72.50 69.43 2k8q s THR 113 CO 0.27 -0.12 0.04 -1.81 -2.21 0.00 0.00 174.62 170.79 2k8q s ASP 114 N -2.81 3.28 -0.01 8.08 1.01 -1.26 -5.17 116.67 119.79 2k8q s ASP 114 Ca 0.05 -1.45 -0.28 0.00 0.71 0.00 0.00 52.55 51.58 2k8q s ASP 114 Cb -0.01 -0.06 0.10 0.00 1.01 0.00 0.00 42.92 43.97 2k8q s ASP 114 CO -0.08 -0.62 0.84 0.00 0.21 0.00 0.00 175.17 175.52 2k8q s ALA 115 N -2.99 -1.80 -0.28 5.23 0.00 -1.26 -5.14 121.76 115.52 2k8q s ALA 115 Ca 0.30 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.36 2k8q s ALA 115 Cb 0.08 0.23 0.06 0.00 0.00 0.00 0.00 23.12 23.49 2k8q s ALA 115 CO 0.14 -0.60 -0.07 0.21 0.00 0.00 0.00 175.76 175.45 2k8q s LYS 116 N -2.63 2.16 -0.05 0.00 2.47 -1.26 -5.09 119.74 115.34 2k8q s LYS 116 Ca 0.01 -1.42 -0.28 0.00 -1.56 0.00 0.00 55.97 52.72 2k8q s LYS 116 Cb -0.01 -2.98 0.06 0.00 -1.46 0.00 0.00 37.83 33.45 2k8q s LYS 116 CO -0.06 -0.63 0.63 0.21 0.16 0.00 0.00 175.35 175.66 2k8q s LYS 117 N 1.09 1.00 -0.42 4.03 2.47 -1.26 -5.13 119.74 121.52 2k8q s LYS 117 Ca -0.06 0.22 -0.23 0.00 -1.56 0.00 0.00 55.97 54.35 2k8q s LYS 117 Cb -0.20 0.47 0.02 0.00 -1.46 0.00 0.00 37.83 36.66 2k8q s LYS 117 CO -0.05 -0.30 0.76 0.99 0.16 0.00 0.00 175.35 176.91 2k8q s THR 118 N -1.16 4.70 -0.28 3.43 2.01 -1.26 -4.99 115.64 118.10 2k8q s THR 118 Ca -0.11 0.55 -0.00 0.00 0.31 0.00 0.00 61.69 62.44 2k8q s THR 118 Cb -0.01 -4.26 0.17 0.00 0.01 0.00 0.00 72.50 68.41 2k8q s THR 118 CO 0.09 -0.59 0.50 -1.58 -0.69 0.00 0.00 174.62 172.34 2k8q s GLN 119 N 3.16 0.47 -0.62 4.92 0.74 -1.26 -5.07 119.66 121.99 2k8q s GLN 119 Ca 0.29 0.68 0.06 0.00 0.05 0.00 0.00 55.36 56.44 2k8q s GLN 119 Cb -0.13 0.05 0.27 0.00 1.10 0.00 0.00 33.01 34.30 2k8q s GLN 119 CO 0.20 -0.73 0.78 0.36 -0.55 0.00 0.00 175.29 175.35 2k8q n LYS 120 N 5.40 2.61 -0.26 1.67 2.85 -1.26 -5.08 118.16 124.08 2k8q n LYS 120 Ca -0.01 -4.67 -0.08 0.00 -1.05 0.00 0.00 58.31 52.50 2k8q n LYS 120 Cb 0.51 -2.23 0.06 0.00 -0.65 0.00 0.00 35.03 32.72 2k8q n LYS 120 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2k8q n PRO 121 N 0.67 -1.57 -3.72 -1.58 -0.04 -1.26 -5.06 135.00 122.44 2k8q n PRO 121 Ca 0.30 -0.44 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 2k8q n PRO 121 Cb 0.41 -0.42 -0.15 0.00 -0.04 0.00 0.00 33.50 33.30 2k8q n PRO 121 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k8q s LEU 122 N 0.00 1.83 -0.05 1.53 0.20 -1.26 -5.10 118.68 115.83 2k8q s LEU 122 Ca 0.18 -1.38 -0.02 0.00 0.69 0.00 0.00 54.13 53.60 2k8q s LEU 122 Cb -0.02 -0.76 0.03 0.00 -0.43 0.00 0.00 46.19 45.01 2k8q s LEU 122 CO 0.14 -0.38 0.04 -0.63 -0.29 0.00 0.00 176.35 175.23 2k8q s ILE 123 N 1.71 0.03 -0.21 6.68 1.01 -1.26 -5.12 121.20 124.04 2k8q s ILE 123 Ca 0.06 0.32 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 2k8q s ILE 123 Cb -0.17 -0.24 0.11 0.00 0.01 0.00 0.00 42.46 42.16 2k8q s ILE 123 CO -0.21 0.19 0.30 -1.58 0.00 0.00 0.00 174.94 173.64 2k8q s GLN 124 N 1.99 0.26 0.22 2.79 0.74 -1.26 -5.15 119.66 119.24 2k8q s GLN 124 Ca 0.03 0.47 -0.17 0.00 0.05 0.00 0.00 55.36 55.75 2k8q s GLN 124 Cb -0.12 -0.65 0.02 0.00 1.10 0.00 0.00 33.01 33.36 2k8q s GLN 124 CO -0.03 -0.57 0.53 -2.00 -0.55 0.00 0.00 175.29 172.66 2k8q s GLU 125 N 2.45 1.47 -0.32 1.67 2.12 -1.26 -5.14 118.70 119.68 2k8q s GLU 125 Ca 0.08 -0.98 0.03 0.00 0.36 0.00 0.00 54.97 54.46 2k8q s GLU 125 Cb -0.15 0.52 0.09 0.00 0.26 0.00 0.00 34.13 34.85 2k8q s GLU 125 CO -0.13 -0.62 0.02 0.08 -0.54 0.00 0.00 175.26 174.07 2k8q s VAL 126 N -3.92 2.35 0.16 3.70 1.01 -1.26 -5.09 120.40 117.36 2k8q s VAL 126 Ca 0.13 -2.13 0.01 0.00 0.00 0.00 0.00 61.98 59.98 2k8q s VAL 126 Cb -0.01 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2k8q s VAL 126 CO 0.01 -0.46 0.02 -0.70 0.00 0.00 0.00 175.10 173.98 2k8q s GLU 127 N 0.98 1.07 0.05 2.72 2.12 -1.26 -5.17 118.70 119.20 2k8q s GLU 127 Ca 0.06 -1.52 -0.25 0.00 0.36 0.00 0.00 54.97 53.62 2k8q s GLU 127 Cb -0.20 -0.11 0.06 0.00 0.26 0.00 0.00 34.13 34.14 2k8q s GLU 127 CO -0.07 -0.18 0.59 0.99 -0.54 0.00 0.00 175.26 176.05 2k8q s THR 128 N -3.78 0.01 0.34 -1.70 2.01 -1.26 -5.18 115.64 106.08 2k8q s THR 128 Ca 0.25 -0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.24 2k8q s THR 128 Cb 0.07 -0.99 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 2k8q s THR 128 CO 0.04 -0.06 -0.06 -1.81 -0.69 0.00 0.00 174.62 172.04 2k8q s ASP 129 N -1.95 3.88 0.00 3.53 1.01 -1.26 -5.15 116.67 116.73 2k8q s ASP 129 Ca -0.05 -1.12 0.00 0.00 0.71 0.00 0.00 52.55 52.09 2k8q s ASP 129 Cb -0.01 -0.41 0.00 0.00 1.01 0.00 0.00 42.92 43.51 2k8q s ASP 129 CO -0.01 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 175.77 2k8q n GLY 130 N -0.84 5.48 3.03 0.21 0.00 -1.26 -5.17 105.19 106.64 2k8q n GLY 130 Ca -0.05 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 2k8q n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8q s VAL 131 N 0.90 -0.02 0.47 1.61 0.11 -1.26 -5.14 120.40 117.07 2k8q s VAL 131 Ca 0.00 0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 2k8q s VAL 131 Cb 0.00 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.58 2k8q s VAL 131 CO 0.00 0.03 0.45 -0.44 -3.33 0.00 0.00 175.10 171.80 2k8q s SER 132 N 0.55 4.96 0.26 3.54 0.01 -1.26 -5.15 113.70 116.62 2k8q s SER 132 Ca -0.04 -0.89 0.10 0.00 1.31 0.00 0.00 55.95 56.44 2k8q s SER 132 Cb -0.05 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 2k8q s SER 132 CO -0.03 -0.87 -0.17 0.54 0.41 0.00 0.00 173.24 173.12 2k8q s ASN 133 N -4.25 3.25 0.00 2.44 2.20 -1.26 -5.09 114.94 112.23 2k8q s ASN 133 Ca 0.46 -1.05 0.00 0.00 -0.94 0.00 0.00 52.86 51.33 2k8q s ASN 133 Cb -0.03 -0.25 0.00 0.00 -2.00 0.00 0.00 41.25 38.97 2k8q s ASN 133 CO 0.28 -0.07 0.00 0.59 -2.94 0.00 0.00 177.10 174.96