#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8q n ILE 2 N 0.00 0.44 -1.55 -0.61 5.41 -1.20 -5.04 119.36 116.81 2k8q n ILE 2 Ca 0.00 -0.25 -0.40 0.00 1.00 0.00 0.00 62.75 63.09 2k8q n ILE 2 Cb 0.00 -0.82 0.02 0.00 -0.71 0.00 0.00 39.64 38.13 2k8q n ILE 2 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k8q n THR 3 N -2.32 2.48 -0.02 1.39 5.66 -1.26 -4.93 114.28 115.28 2k8q n THR 3 Ca -0.11 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.26 2k8q n THR 3 Cb 0.70 -0.94 -0.09 0.00 -1.55 0.00 0.00 70.33 68.45 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 0.97 0.09 -2.78 1.09 0.13 -1.97 -3.47 132.00 126.07 2k8q h PRO 4 Ca -0.44 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 2k8q h PRO 4 Cb 1.37 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.31 2k8q h PRO 4 CO 0.53 0.55 -0.10 1.03 -0.23 0.00 0.00 178.00 179.78 2k8q s ARG 5 N -4.27 0.86 -0.25 0.86 3.00 -1.26 -5.09 118.95 112.79 2k8q s ARG 5 Ca -0.15 -0.14 -0.26 0.00 0.00 0.00 0.00 55.73 55.17 2k8q s ARG 5 Cb 0.03 0.39 0.11 0.00 0.00 0.00 0.00 34.95 35.48 2k8q s ARG 5 CO 0.69 -0.27 0.98 -0.59 0.00 0.00 0.00 175.30 176.11 2k8q s PHE 6 N -1.72 -0.50 -0.01 -0.53 -0.71 -1.26 -1.18 117.98 112.06 2k8q s PHE 6 Ca -0.10 1.17 0.06 0.00 -1.04 0.00 0.00 56.93 57.03 2k8q s PHE 6 Cb -0.02 0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2k8q s PHE 6 CO 0.03 -0.28 -0.20 -1.54 -1.34 0.00 0.00 175.22 171.90 2k8q s SER 7 N 0.01 2.32 -0.03 1.98 1.04 0.13 -4.97 113.70 114.17 2k8q s SER 7 Ca 0.02 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.11 2k8q s SER 7 Cb -0.04 -0.26 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 2k8q s SER 7 CO -0.04 0.24 -0.07 -0.63 0.98 0.00 0.00 173.24 173.72 2k8q s ILE 8 N -0.47 3.63 0.04 -1.02 1.01 -1.26 0.23 121.20 123.36 2k8q s ILE 8 Ca 0.08 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.14 2k8q s ILE 8 Cb -0.08 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 2k8q s ILE 8 CO -0.01 0.50 -0.16 -0.89 0.00 0.00 0.00 174.94 174.38 2k8q s THR 9 N -0.90 1.27 0.01 2.92 2.01 0.87 -4.90 115.64 116.93 2k8q s THR 9 Ca 0.15 -1.07 0.06 0.00 0.31 0.00 0.00 61.69 61.13 2k8q s THR 9 Cb -0.11 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2k8q s THR 9 CO 0.04 0.05 -0.15 0.00 -0.69 0.00 0.00 174.62 173.87 2k8q s GLN 10 N -1.18 2.26 0.30 4.92 -2.07 -1.26 -0.86 119.66 121.76 2k8q s GLN 10 Ca 0.03 -0.87 0.02 0.00 -1.82 0.00 0.00 55.36 52.72 2k8q s GLN 10 Cb -0.08 -2.29 -0.05 0.00 -1.09 0.00 0.00 33.01 29.51 2k8q s GLN 10 CO 0.01 0.57 0.11 -0.51 -1.32 0.00 0.00 175.29 174.15 2k8q s ASP 11 N -1.28 1.68 0.00 12.60 1.01 -0.66 -4.93 116.67 125.09 2k8q s ASP 11 Ca 0.14 -1.46 0.11 0.00 0.71 0.00 0.00 52.55 52.06 2k8q s ASP 11 Cb -0.11 0.22 0.36 0.00 1.01 0.00 0.00 42.92 44.40 2k8q s ASP 11 CO 0.05 -0.77 1.29 -1.84 0.21 0.00 0.00 175.17 174.10 2k8q n GLU 12 N -0.59 1.69 0.00 8.23 0.00 -1.26 -4.05 120.64 124.66 2k8q n GLU 12 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 57.16 56.09 2k8q n GLU 12 Cb 0.66 -1.26 0.00 0.00 0.00 0.00 0.00 31.44 30.84 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 0.35 0.30 -2.93 3.44 0.28 -1.26 -0.39 120.64 120.43 2k8q n GLU 13 Ca 0.11 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.07 2k8q n GLU 13 Cb 0.26 -0.74 0.02 0.00 1.43 0.00 0.00 31.44 32.41 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 -1.87 -1.62 -4.26 -1.84 -1.74 -1.26 -4.27 117.46 100.60 2k8q n PHE 14 Ca 0.00 -1.10 -0.34 0.00 -0.56 0.00 0.00 57.45 55.44 2k8q n PHE 14 Cb 0.24 0.55 -0.09 0.00 1.52 0.00 0.00 39.48 41.70 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 -2.34 4.49 -0.33 1.97 -1.09 -0.55 -1.66 121.20 121.70 2k8q s ILE 15 Ca 0.12 -0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.30 2k8q s ILE 15 Cb -0.03 -2.94 0.10 0.00 -1.58 0.00 0.00 42.46 38.01 2k8q s ILE 15 CO 0.06 0.53 0.04 0.12 -1.23 0.00 0.00 174.94 174.47 2k8q s PHE 16 N -0.99 3.66 -0.24 3.97 5.36 -0.04 -2.40 117.98 127.31 2k8q s PHE 16 Ca 0.16 -2.93 -0.14 0.00 -0.96 0.00 0.00 56.93 53.06 2k8q s PHE 16 Cb -0.12 -2.83 -0.04 0.00 -0.34 0.00 0.00 43.02 39.69 2k8q s PHE 16 CO 0.06 -0.94 0.34 -1.17 -1.46 0.00 0.00 175.22 172.04 2k8q s LEU 17 N 0.94 4.09 -0.03 6.12 1.98 0.70 -0.09 118.68 132.39 2k8q s LEU 17 Ca 0.10 0.33 0.02 0.00 -2.89 0.00 0.00 54.13 51.69 2k8q s LEU 17 Cb -0.19 -2.39 -0.03 0.00 0.66 0.00 0.00 46.19 44.24 2k8q s LEU 17 CO -0.09 -0.09 -0.06 -0.75 -1.89 0.00 0.00 176.35 173.48 2k8q s LYS 18 N 1.59 2.68 -0.05 1.98 2.20 0.14 0.03 119.74 128.30 2k8q s LYS 18 Ca 0.15 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 55.17 2k8q s LYS 18 Cb -0.15 -2.57 0.01 0.00 -1.51 0.00 0.00 37.83 33.60 2k8q s LYS 18 CO 0.08 0.64 -0.14 0.42 -0.36 0.00 0.00 175.35 175.99 2k8q s ILE 19 N -0.92 1.24 -0.38 5.43 1.09 -0.17 -0.69 121.20 126.80 2k8q s ILE 19 Ca 0.15 -0.58 -0.18 0.00 -1.10 0.00 0.00 60.65 58.94 2k8q s ILE 19 Cb -0.11 -1.10 0.01 0.00 -1.06 0.00 0.00 42.46 40.19 2k8q s ILE 19 CO 0.05 0.37 0.51 -0.36 -0.10 0.00 0.00 174.94 175.41 2k8q s PHE 20 N 0.36 3.16 0.27 3.97 0.08 -0.33 -1.67 117.98 123.82 2k8q s PHE 20 Ca -0.09 0.02 0.02 0.00 0.12 0.00 0.00 56.93 56.99 2k8q s PHE 20 Cb -0.13 -2.97 -0.01 0.00 -0.57 0.00 0.00 43.02 39.34 2k8q s PHE 20 CO 0.03 -0.62 0.32 0.44 -0.10 0.00 0.00 175.22 175.29 2k8q n ILE 21 N 5.49 0.00 -4.30 0.64 -5.35 -1.24 -4.07 119.36 110.52 2k8q n ILE 21 Ca -0.05 -1.60 -0.17 0.00 -0.27 0.00 0.00 62.75 60.66 2k8q n ILE 21 Cb 0.48 0.90 -0.06 0.00 -1.74 0.00 0.00 39.64 39.22 2k8q n ILE 21 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2k8q n SER 22 N -1.83 0.28 -1.90 7.28 7.64 -1.25 -4.39 113.62 119.44 2k8q n SER 22 Ca 0.03 -2.69 -0.16 0.00 1.01 0.00 0.00 58.87 57.06 2k8q n SER 22 Cb 0.46 1.05 0.15 0.00 -1.01 0.00 0.00 64.21 64.87 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 -1.83 3.64 0.28 6.43 0.23 -1.26 -4.48 115.26 118.28 2k8q n ASN 23 Ca 0.01 -3.18 0.18 0.00 -0.53 0.00 0.00 54.58 51.07 2k8q n ASN 23 Cb 0.47 -0.75 0.97 0.00 -2.08 0.00 0.00 39.78 38.39 2k8q n ASN 23 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 2k8q h ILE 24 N 0.93 0.28 0.00 1.53 -2.65 -2.00 -3.33 117.51 112.27 2k8q h ILE 24 Ca 0.45 0.00 -0.05 0.00 1.03 0.00 0.00 64.86 66.28 2k8q h ILE 24 Cb 2.36 0.90 -0.05 0.00 -2.05 0.00 0.00 36.82 37.98 2k8q h ILE 24 CO 0.80 0.00 -0.06 -2.11 0.03 0.00 0.00 178.15 176.82 2k8q n ARG 25 N -3.48 0.38 -2.55 0.16 0.00 -1.26 -5.09 116.66 104.82 2k8q n ARG 25 Ca -0.01 -0.40 -0.41 0.00 -0.00 0.00 0.00 57.85 57.03 2k8q n ARG 25 Cb 0.20 0.11 -0.03 0.00 -0.00 0.00 0.00 32.46 32.74 2k8q n ARG 25 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2k8q s PHE 26 N 0.04 2.47 -0.57 2.89 5.36 -1.25 -4.77 117.98 122.14 2k8q s PHE 26 Ca 0.03 -0.67 0.24 0.00 -0.96 0.00 0.00 56.93 55.58 2k8q s PHE 26 Cb 0.12 -4.67 0.45 0.00 -0.34 0.00 0.00 43.02 38.58 2k8q s PHE 26 CO -0.04 -1.96 1.50 0.77 -1.46 0.00 0.00 175.22 174.04 2k8q h SER 27 N 9.88 0.00 -2.25 6.13 0.02 -1.98 -3.47 113.55 121.89 2k8q h SER 27 Ca 0.11 -0.06 -0.40 0.00 -0.84 0.00 0.00 61.79 60.60 2k8q h SER 27 Cb 1.02 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.48 2k8q h SER 27 CO 1.40 0.03 -0.44 0.00 -1.14 0.00 0.00 176.83 176.68 2k8q n ALA 28 N -1.92 -0.50 -0.02 3.77 0.00 -1.26 -4.80 120.51 115.78 2k8q n ALA 28 Ca 0.04 0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.71 2k8q n ALA 28 Cb 0.47 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.83 2k8q n ALA 28 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2k8q n VAL 29 N -3.22 0.21 -0.48 0.00 3.14 -1.26 -4.56 118.33 112.16 2k8q n VAL 29 Ca -0.22 -0.23 0.10 0.00 -2.96 0.00 0.00 64.34 61.03 2k8q n VAL 29 Cb 0.66 -0.17 0.32 0.00 -1.06 0.00 0.00 33.84 33.60 2k8q n VAL 29 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k8q n GLY 30 N 2.28 2.67 3.69 7.55 0.00 -1.26 -4.95 105.19 115.17 2k8q n GLY 30 Ca -0.06 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2k8q n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k8q s LEU 31 N -1.39 4.29 -0.32 0.99 1.43 -1.26 -4.46 118.68 117.94 2k8q s LEU 31 Ca 0.48 1.83 -0.09 0.00 -1.03 0.00 0.00 54.13 55.32 2k8q s LEU 31 Cb 0.28 -3.56 0.19 0.00 0.03 0.00 0.00 46.19 43.13 2k8q s LEU 31 CO 0.28 -0.57 1.07 -0.70 0.23 0.00 0.00 176.35 176.65 2k8q s GLU 32 N 2.12 0.16 -0.13 1.70 2.56 -1.26 -4.96 118.70 118.89 2k8q s GLU 32 Ca 0.56 -0.08 -0.14 0.00 0.00 0.00 0.00 54.97 55.31 2k8q s GLU 32 Cb -0.25 0.01 -0.05 0.00 2.00 0.00 0.00 34.13 35.85 2k8q s GLU 32 CO 0.23 -0.23 0.33 0.42 -0.56 0.00 0.00 175.26 175.44 2k8q s ILE 33 N 1.78 5.27 0.16 -3.70 1.01 -1.26 -4.10 121.20 120.35 2k8q s ILE 33 Ca 0.16 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.52 2k8q s ILE 33 Cb 0.05 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2k8q s ILE 33 CO -0.14 0.41 -0.16 0.27 0.00 0.00 0.00 174.94 175.32 2k8q s ILE 34 N 0.24 1.66 -0.15 2.92 -5.25 -1.03 -4.99 121.20 114.60 2k8q s ILE 34 Ca 0.19 -1.91 -0.03 0.00 -0.99 0.00 0.00 60.65 57.91 2k8q s ILE 34 Cb -0.14 -1.79 -0.02 0.00 2.95 0.00 0.00 42.46 43.46 2k8q s ILE 34 CO 0.06 -0.39 -0.06 -0.63 -1.79 0.00 0.00 174.94 172.12 2k8q s ILE 35 N -2.23 3.66 0.00 8.37 1.09 -1.26 -0.71 121.20 130.11 2k8q s ILE 35 Ca 0.15 -0.44 0.00 0.00 -1.10 0.00 0.00 60.65 59.25 2k8q s ILE 35 Cb -0.05 -2.59 0.00 0.00 -1.06 0.00 0.00 42.46 38.77 2k8q s ILE 35 CO 0.05 0.50 0.00 1.67 -0.10 0.00 0.00 174.94 177.07 2k8q n GLN 36 N 3.49 -0.23 -0.27 2.79 0.00 0.89 -4.65 117.38 119.41 2k8q n GLN 36 Ca -0.18 0.00 0.16 0.00 -0.00 0.00 0.00 57.00 56.98 2k8q n GLN 36 Cb 0.53 0.00 0.44 0.00 0.00 0.00 0.00 30.24 31.21 2k8q n GLN 36 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 2k8q h GLU 37 N 0.00 0.53 0.00 3.69 4.11 -2.00 -3.39 114.58 117.52 2k8q h GLU 37 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2k8q h GLU 37 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2k8q h GLU 37 CO 0.00 0.35 0.00 0.27 0.07 0.00 0.00 179.01 179.70 2k8q n ASN 38 N -4.57 0.00 -4.23 3.06 6.94 -1.26 -4.16 115.26 111.04 2k8q n ASN 38 Ca 0.19 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.46 2k8q n ASN 38 Cb 0.61 0.00 0.18 0.00 -2.36 0.00 0.00 39.78 38.22 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 -1.91 0.36 -0.03 -3.83 0.23 -1.26 -2.46 119.30 110.42 2k8q s MET 39 Ca 0.00 -0.16 0.06 0.00 -1.03 0.00 0.00 55.69 54.56 2k8q s MET 39 Cb 0.00 -1.79 -0.01 0.00 -1.53 0.00 0.00 34.83 31.50 2k8q s MET 39 CO 0.00 -2.64 -0.20 0.42 -2.03 0.00 0.00 175.02 170.57 2k8q s ILE 40 N -3.54 1.64 -0.23 3.16 1.01 -0.18 -0.08 121.20 122.99 2k8q s ILE 40 Ca 0.70 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 2k8q s ILE 40 Cb -0.08 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 2k8q s ILE 40 CO 0.53 0.46 0.02 -0.63 0.00 0.00 0.00 174.94 175.33 2k8q s ILE 41 N -0.35 3.96 -0.48 2.92 -1.09 0.11 -1.55 121.20 124.72 2k8q s ILE 41 Ca 0.05 -0.29 -0.16 0.00 -2.23 0.00 0.00 60.65 58.01 2k8q s ILE 41 Cb -0.09 -2.83 0.07 0.00 -1.58 0.00 0.00 42.46 38.02 2k8q s ILE 41 CO 0.00 0.38 0.44 0.12 -1.23 0.00 0.00 174.94 174.65 2k8q s PHE 42 N 1.48 3.21 -0.19 3.97 5.36 0.12 -2.46 117.98 129.47 2k8q s PHE 42 Ca 0.05 -0.83 0.19 0.00 -0.96 0.00 0.00 56.93 55.38 2k8q s PHE 42 Cb -0.15 -3.21 -0.28 0.00 -0.34 0.00 0.00 43.02 39.04 2k8q s PHE 42 CO 0.01 -0.83 0.49 1.58 -1.46 0.00 0.00 175.22 175.02 2k8q n HIS 43 N 5.39 0.00 -1.08 10.12 -0.00 -1.26 -1.48 115.22 126.91 2k8q n HIS 43 Ca -0.11 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.72 2k8q n HIS 43 Cb 0.44 -0.36 0.08 0.00 -0.12 0.00 0.00 29.99 30.04 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 -2.03 -0.04 -1.44 0.27 0.00 -1.26 -4.70 117.00 107.80 2k8q n LEU 44 Ca -0.02 0.48 0.18 0.00 0.00 0.00 0.00 56.01 56.64 2k8q n LEU 44 Cb 0.46 -1.18 -0.08 0.00 0.00 0.00 0.00 43.42 42.63 2k8q n LEU 44 CO 0.40 -3.50 -0.51 -1.54 0.00 0.00 0.00 177.39 172.24 2k8q n SER 45 N -0.37 -8.39 0.00 1.96 3.41 -1.26 -4.15 113.62 104.82 2k8q n SER 45 Ca 0.08 1.16 0.07 0.00 -0.26 0.00 0.00 58.87 59.92 2k8q n SER 45 Cb 0.51 -4.74 0.37 0.00 -0.26 0.00 0.00 64.21 60.10 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 -4.31 0.21 -4.37 4.33 -0.04 -1.26 -4.63 135.00 124.93 2k8q n PRO 46 Ca -0.06 0.14 -0.34 0.00 -0.04 0.00 0.00 63.50 63.21 2k8q n PRO 46 Cb 0.67 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.56 3.02 -0.14 0.54 2.02 -1.26 -5.10 117.35 113.87 2k8q s TYR 47 Ca 0.14 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.35 2k8q s TYR 47 Cb 0.10 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 2k8q s TYR 47 CO 0.22 -0.07 0.37 -0.47 -1.57 0.00 0.00 175.55 174.04 2k8q s TYR 48 N 0.44 3.48 0.07 2.71 6.14 -1.26 -4.64 117.35 124.29 2k8q s TYR 48 Ca -0.04 0.72 0.06 0.00 0.64 0.00 0.00 57.07 58.45 2k8q s TYR 48 Cb -0.14 -2.44 -0.03 0.00 0.42 0.00 0.00 41.96 39.77 2k8q s TYR 48 CO 0.03 0.20 -0.16 -1.17 0.64 0.00 0.00 175.55 175.09 2k8q s LEU 49 N 0.55 2.25 -0.08 6.97 2.96 -0.55 -3.23 118.68 127.55 2k8q s LEU 49 Ca 0.21 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2k8q s LEU 49 Cb -0.14 -0.64 0.00 0.00 0.50 0.00 0.00 46.19 45.91 2k8q s LEU 49 CO 0.07 -0.01 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.30 2k8q s ARG 50 N -1.59 2.34 -0.23 1.98 3.52 -1.26 -0.71 118.95 123.00 2k8q s ARG 50 Ca 0.01 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 54.95 2k8q s ARG 50 Cb -0.09 -1.85 0.03 0.00 -1.56 0.00 0.00 34.95 31.47 2k8q s ARG 50 CO 0.02 0.14 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.04 2k8q s LEU 51 N 0.40 2.95 -0.38 -0.88 1.43 -0.59 -4.20 118.68 117.42 2k8q s LEU 51 Ca -0.15 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.01 2k8q s LEU 51 Cb -0.16 -1.60 0.08 0.00 0.03 0.00 0.00 46.19 44.54 2k8q s LEU 51 CO 0.06 -0.10 0.17 -0.60 0.23 0.00 0.00 176.35 176.10 2k8q s ARG 52 N 1.28 2.36 0.22 1.70 3.52 -1.25 -1.01 118.95 125.78 2k8q s ARG 52 Ca -0.00 -1.50 -0.01 0.00 -0.13 0.00 0.00 55.73 54.09 2k8q s ARG 52 Cb -0.16 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 2k8q s ARG 52 CO -0.07 -0.89 0.41 -0.06 -0.81 0.00 0.00 175.30 173.89 2k8q s PHE 53 N 1.29 3.48 -1.18 5.12 0.08 -1.26 -4.52 117.98 120.99 2k8q s PHE 53 Ca 0.02 0.34 0.14 0.00 0.12 0.00 0.00 56.93 57.56 2k8q s PHE 53 Cb -0.22 -1.85 0.66 0.00 -0.57 0.00 0.00 43.02 41.04 2k8q s PHE 53 CO -0.01 0.35 1.44 -0.35 -0.10 0.00 0.00 175.22 176.55 2k8q n PRO 54 N -0.82 0.09 -2.06 0.24 -0.04 -1.26 -4.76 135.00 126.39 2k8q n PRO 54 Ca -0.05 0.21 -0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2k8q n PRO 54 Cb 0.54 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.41 -1.17 -3.94 0.54 8.25 -1.26 -5.13 115.22 111.09 2k8q n HIS 55 Ca 0.05 -0.52 -0.28 0.00 -0.26 0.00 0.00 57.72 56.71 2k8q n HIS 55 Cb 0.15 -0.10 -0.17 0.00 1.12 0.00 0.00 29.99 30.99 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 -2.49 1.76 0.60 -0.41 -1.05 -1.26 -4.59 118.70 111.25 2k8q s GLU 56 Ca 0.06 -0.44 0.06 0.00 -0.15 0.00 0.00 54.97 54.50 2k8q s GLU 56 Cb -0.00 -1.89 0.09 0.00 -0.44 0.00 0.00 34.13 31.88 2k8q s GLU 56 CO 0.04 -0.31 0.82 -0.51 0.95 0.00 0.00 175.26 176.25 2k8q s LEU 57 N 1.61 3.14 0.01 1.83 1.43 -1.03 -3.76 118.68 121.90 2k8q s LEU 57 Ca 0.04 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2k8q s LEU 57 Cb -0.13 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 2k8q s LEU 57 CO -0.09 -1.41 -0.03 -0.51 0.23 0.00 0.00 176.35 174.54 2k8q s ILE 58 N -2.77 0.21 -0.47 -0.59 2.07 -0.97 -4.30 121.20 114.37 2k8q s ILE 58 Ca 0.62 -0.34 -0.16 0.00 -1.41 0.00 0.00 60.65 59.37 2k8q s ILE 58 Cb -0.06 -0.22 0.07 0.00 0.13 0.00 0.00 42.46 42.37 2k8q s ILE 58 CO 0.40 -0.09 0.41 -0.62 -1.91 0.00 0.00 174.94 173.13 2k8q s ASP 59 N -0.45 6.15 0.00 4.50 2.15 -1.26 -3.83 116.67 123.93 2k8q s ASP 59 Ca -0.03 -1.28 0.00 0.00 0.43 0.00 0.00 52.55 51.67 2k8q s ASP 59 Cb -0.03 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2k8q s ASP 59 CO -0.00 -0.66 0.00 -0.67 -0.17 0.00 0.00 175.17 173.67 2k8q n ASP 60 N 5.28 1.88 0.04 -0.34 2.03 -1.26 -5.00 116.55 119.17 2k8q n ASP 60 Ca -0.12 -0.56 -0.03 0.00 0.52 0.00 0.00 54.79 54.60 2k8q n ASP 60 Cb 0.44 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 41.05 2k8q n ASP 60 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2k8q h GLU 61 N 0.00 0.41 -0.49 -0.67 4.39 -2.04 -2.86 114.58 113.33 2k8q h GLU 61 Ca 0.00 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 2k8q h GLU 61 Cb 0.00 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2k8q h GLU 61 CO 0.00 0.67 0.08 0.07 -1.16 0.00 0.00 179.01 178.68 2k8q h ARG 62 N 0.36 0.75 -6.62 2.33 -0.00 -1.98 -3.43 114.38 105.78 2k8q h ARG 62 Ca 0.05 -0.16 -0.57 0.00 -0.00 0.00 0.00 59.98 59.30 2k8q h ARG 62 Cb 0.72 -0.11 0.08 0.00 -0.00 0.00 0.00 29.97 30.65 2k8q h ARG 62 CO 0.05 0.71 0.73 0.43 -0.00 0.00 0.00 179.97 181.89 2k8q n SER 63 N -4.27 3.13 -3.61 0.08 7.64 -1.08 -4.92 113.62 110.59 2k8q n SER 63 Ca 0.03 1.13 0.03 0.00 1.01 0.00 0.00 58.87 61.07 2k8q n SER 63 Cb 0.24 -1.47 -0.00 0.00 -1.01 0.00 0.00 64.21 61.96 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 0.20 0.00 0.01 0.44 -1.32 -0.93 -4.88 115.64 109.16 2k8q s THR 64 Ca 0.70 -0.08 0.04 0.00 -1.21 0.00 0.00 61.69 61.13 2k8q s THR 64 Cb -0.61 -2.10 -0.01 0.00 -1.51 0.00 0.00 72.50 68.27 2k8q s THR 64 CO 0.46 0.00 -0.11 0.00 -2.21 0.00 0.00 174.62 172.76 2k8q s ALA 65 N -2.15 0.94 -0.07 11.08 0.00 -1.26 -0.74 121.76 129.57 2k8q s ALA 65 Ca 0.16 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.57 2k8q s ALA 65 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 2k8q s ALA 65 CO -0.05 0.19 -0.22 -0.65 0.00 0.00 0.00 175.76 175.03 2k8q s GLN 66 N -0.66 2.51 -0.06 0.00 -1.52 1.00 -4.97 119.66 115.95 2k8q s GLN 66 Ca 0.02 -0.79 -0.23 0.00 -1.95 0.00 0.00 55.36 52.41 2k8q s GLN 66 Cb -0.06 -2.02 -0.04 0.00 -0.22 0.00 0.00 33.01 30.67 2k8q s GLN 66 CO 0.00 0.25 0.68 -0.47 -0.25 0.00 0.00 175.29 175.50 2k8q s TYR 67 N 0.15 3.59 -0.21 0.91 5.04 -1.26 -1.11 117.35 124.45 2k8q s TYR 67 Ca -0.10 1.24 -0.05 0.00 -2.44 0.00 0.00 57.07 55.71 2k8q s TYR 67 Cb -0.15 -2.77 -0.02 0.00 0.35 0.00 0.00 41.96 39.36 2k8q s TYR 67 CO 0.05 0.13 0.01 -0.51 -1.34 0.00 0.00 175.55 173.89 2k8q s ASP 68 N 0.64 4.83 -0.05 4.32 1.01 0.48 -4.98 116.67 122.93 2k8q s ASP 68 Ca 0.36 -0.22 0.08 0.00 0.71 0.00 0.00 52.55 53.48 2k8q s ASP 68 Cb -0.18 -1.83 -0.24 0.00 1.01 0.00 0.00 42.92 41.68 2k8q s ASP 68 CO 0.18 0.04 0.62 0.77 0.21 0.00 0.00 175.17 176.99 2k8q h SER 69 N 7.71 0.10 -0.42 0.27 4.64 -1.93 0.78 113.55 124.70 2k8q h SER 69 Ca -0.37 -0.22 0.12 0.00 -0.47 0.00 0.00 61.79 60.85 2k8q h SER 69 Cb 1.18 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2k8q h SER 69 CO 0.60 1.20 0.38 0.07 -0.87 0.00 0.00 176.83 178.21 2k8q h LYS 70 N 0.02 0.00 0.00 4.77 5.09 -1.95 -2.39 116.57 122.11 2k8q h LYS 70 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.43 2k8q h LYS 70 Cb 2.01 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.34 2k8q h LYS 70 CO 0.09 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 173.98 2k8q n ASP 71 N -3.96 0.53 -2.78 7.07 2.03 -1.25 -5.00 116.55 113.18 2k8q n ASP 71 Ca 0.07 -1.19 -0.17 0.00 0.52 0.00 0.00 54.79 54.03 2k8q n ASP 71 Cb 0.56 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2k8q n ASP 71 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k8q n GLU 72 N -0.09 -2.83 -4.09 -0.67 -0.58 0.13 -4.83 120.64 107.67 2k8q n GLU 72 Ca 0.00 0.59 -0.22 0.00 -0.42 0.00 0.00 57.16 57.10 2k8q n GLU 72 Cb 0.30 -5.24 -0.05 0.00 -0.57 0.00 0.00 31.44 25.87 2k8q n GLU 72 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k8q s ILE 74 N -2.29 3.25 -0.20 0.00 -1.09 -0.67 -0.38 121.20 119.81 2k8q s ILE 74 Ca 0.35 -0.60 -0.04 0.00 -2.23 0.00 0.00 60.65 58.13 2k8q s ILE 74 Cb -0.06 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.45 2k8q s ILE 74 CO 0.23 0.53 -0.04 0.20 -1.23 0.00 0.00 174.94 174.64 2k8q s ASN 75 N 0.11 4.45 -0.16 3.58 0.01 -0.27 -1.00 114.94 121.66 2k8q s ASN 75 Ca -0.05 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 2k8q s ASN 75 Cb -0.15 -1.75 0.00 0.00 0.41 0.00 0.00 41.25 39.76 2k8q s ASN 75 CO 0.04 0.03 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.81 2k8q s VAL 76 N 1.19 2.51 -0.05 1.60 1.01 0.10 -0.00 120.40 126.75 2k8q s VAL 76 Ca 0.02 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2k8q s VAL 76 Cb -0.14 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2k8q s VAL 76 CO -0.00 0.52 -0.13 -1.59 0.00 0.00 0.00 175.10 173.89 2k8q s LYS 77 N 0.99 2.55 -0.04 2.72 0.00 0.09 -0.21 119.74 125.83 2k8q s LYS 77 Ca -0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 55.97 55.26 2k8q s LYS 77 Cb -0.15 -2.42 0.02 0.00 0.00 0.00 0.00 37.83 35.29 2k8q s LYS 77 CO -0.04 0.63 0.09 0.54 0.00 0.00 0.00 175.35 176.58 2k8q s VAL 78 N -0.75 -0.02 0.37 1.79 0.11 -1.01 -2.18 120.40 118.71 2k8q s VAL 78 Ca 0.12 0.08 -0.25 0.00 -2.93 0.00 0.00 61.98 58.99 2k8q s VAL 78 Cb -0.11 -0.15 -0.09 0.00 -1.53 0.00 0.00 36.38 34.50 2k8q s VAL 78 CO 0.01 0.03 1.06 0.00 -3.33 0.00 0.00 175.10 172.87 2k8q s ALA 79 N 0.49 3.16 0.00 1.54 0.00 -1.25 -1.49 121.76 124.22 2k8q s ALA 79 Ca -0.04 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 2k8q s ALA 79 Cb -0.05 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2k8q s ALA 79 CO -0.02 -0.19 0.16 0.21 0.00 0.00 0.00 175.76 175.92 2k8q s LYS 80 N -2.25 3.34 0.21 0.00 2.47 -1.26 -2.29 119.74 119.96 2k8q s LYS 80 Ca 0.55 -0.38 -0.10 0.00 -1.56 0.00 0.00 55.97 54.48 2k8q s LYS 80 Cb -0.24 -3.03 0.23 0.00 -1.46 0.00 0.00 37.83 33.33 2k8q s LYS 80 CO 0.30 0.66 1.80 -0.07 0.16 0.00 0.00 175.35 178.21 2k8q h LEU 81 N 3.77 0.52 -8.26 5.43 3.38 -1.88 -3.40 115.31 114.87 2k8q h LEU 81 Ca -0.48 0.03 -0.67 0.00 0.09 0.00 0.00 57.88 56.84 2k8q h LEU 81 Cb 1.18 -0.07 -0.33 0.00 0.09 0.00 0.00 40.66 41.53 2k8q h LEU 81 CO 0.68 0.34 -0.86 0.20 0.09 0.00 0.00 178.44 178.89 2k8q s ASN 82 N -5.58 3.18 0.88 -0.43 0.01 -1.26 -5.11 114.94 106.63 2k8q s ASN 82 Ca -0.13 -0.58 -0.11 0.00 -0.71 0.00 0.00 52.86 51.34 2k8q s ASN 82 Cb 0.16 -1.45 0.12 0.00 0.41 0.00 0.00 41.25 40.49 2k8q s ASN 82 CO 0.76 0.10 1.10 -0.75 -1.51 0.00 0.00 177.10 176.80 2k8q s LYS 83 N 0.70 1.36 -1.76 -0.60 2.20 -1.26 -3.11 119.74 117.26 2k8q s LYS 83 Ca -0.10 1.12 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 2k8q s LYS 83 Cb -0.16 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 2k8q s LYS 83 CO 0.01 -2.26 0.00 0.09 -0.36 0.00 0.00 175.35 172.83 2k8q n ASN 84 N -3.93 -5.45 -4.73 1.43 5.03 0.48 -4.95 115.26 103.13 2k8q n ASN 84 Ca 0.09 0.41 -0.39 0.00 0.87 0.00 0.00 54.58 55.56 2k8q n ASN 84 Cb 0.54 -4.41 -0.05 0.00 -1.02 0.00 0.00 39.78 34.83 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 -3.39 4.38 0.53 3.52 2.56 -1.18 -4.91 118.70 120.21 2k8q s GLU 85 Ca 0.00 0.76 0.06 0.00 0.00 0.00 0.00 54.97 55.79 2k8q s GLU 85 Cb 0.00 -3.40 0.03 0.00 2.00 0.00 0.00 34.13 32.76 2k8q s GLU 85 CO 0.00 0.20 0.39 1.52 -0.56 0.00 0.00 175.26 176.81 2k8q s TYR 86 N 0.38 1.76 0.03 5.30 1.13 -1.26 -4.58 117.35 120.11 2k8q s TYR 86 Ca 0.33 -0.80 0.03 0.00 -1.41 0.00 0.00 57.07 55.22 2k8q s TYR 86 Cb -0.18 -1.94 -0.02 0.00 -1.10 0.00 0.00 41.96 38.73 2k8q s TYR 86 CO 0.17 -0.41 -0.09 -0.06 -2.51 0.00 0.00 175.55 172.64 2k8q s PHE 87 N -2.74 0.79 -0.17 -3.49 0.40 -1.26 -5.00 117.98 106.51 2k8q s PHE 87 Ca 0.35 -0.35 0.09 0.00 -0.60 0.00 0.00 56.93 56.42 2k8q s PHE 87 Cb -0.02 -0.48 0.17 0.00 0.51 0.00 0.00 43.02 43.20 2k8q s PHE 87 CO 0.22 -0.03 1.11 -1.91 0.70 0.00 0.00 175.22 175.31 2k8q n GLU 88 N 1.98 2.44 -0.00 0.44 2.13 -1.26 -4.56 120.64 121.81 2k8q n GLU 88 Ca -0.19 -2.01 0.01 0.00 0.66 0.00 0.00 57.16 55.63 2k8q n GLU 88 Cb 0.56 -1.26 -0.02 0.00 0.27 0.00 0.00 31.44 30.99 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2k8q n ASP 89 N -0.67 3.87 0.30 4.31 9.92 -1.26 -4.58 116.55 128.43 2k8q n ASP 89 Ca 0.08 -0.07 0.20 0.00 -0.53 0.00 0.00 54.79 54.47 2k8q n ASP 89 Cb 0.45 1.11 0.95 0.00 -0.64 0.00 0.00 41.12 42.98 2k8q n ASP 89 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2k8q h LEU 90 N 0.00 0.00 -1.30 0.64 4.07 -1.94 -1.42 115.31 115.35 2k8q h LEU 90 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k8q h LEU 90 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 2k8q h LEU 90 CO 0.00 0.00 0.00 -0.78 -1.08 0.00 0.00 178.44 176.58 2k8q h ASP 91 N 0.00 0.00 -3.75 -0.43 3.58 -1.88 -3.40 116.42 110.54 2k8q h ASP 91 Ca 0.00 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.77 2k8q h ASP 91 Cb 0.23 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 40.94 2k8q h ASP 91 CO 0.00 0.00 -0.75 -0.76 -2.88 0.00 0.00 179.24 174.85 2k8q s LEU 92 N -5.74 3.56 0.00 2.28 2.01 -0.54 -4.97 118.68 115.29 2k8q s LEU 92 Ca 0.02 -1.24 0.14 0.00 0.01 0.00 0.00 54.13 53.06 2k8q s LEU 92 Cb 0.09 -1.63 0.66 0.00 0.01 0.00 0.00 46.19 45.32 2k8q s LEU 92 CO 0.50 -0.20 1.44 -0.81 1.01 0.00 0.00 176.35 178.28 2k8q n PRO 93 N 4.55 0.08 0.03 1.29 -0.04 -1.26 -2.20 135.00 137.45 2k8q n PRO 93 Ca -0.14 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 2k8q n PRO 93 Cb 0.44 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.42 0.59 0.22 0.52 -2.24 -1.26 -3.99 114.28 106.69 2k8q n THR 94 Ca 0.05 -0.59 0.07 0.00 -2.27 0.00 0.00 64.05 61.31 2k8q n THR 94 Cb 0.15 -0.31 0.50 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 0.05 -0.78 1.57 -1.73 -0.23 116.57 115.45 2k8q h LYS 95 Ca -0.08 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2k8q h LYS 95 Cb 1.22 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.54 2k8q h LYS 95 CO 0.01 0.26 -0.34 -0.07 -0.57 0.00 0.00 179.45 178.74 2k8q h LEU 96 N 0.00 0.21 -0.39 2.94 -0.00 -1.71 -3.35 115.31 113.02 2k8q h LEU 96 Ca -0.00 -0.93 -0.05 0.00 -0.00 0.00 0.00 57.88 56.90 2k8q h LEU 96 Cb 0.55 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 2k8q h LEU 96 CO 0.03 1.13 0.06 -0.07 -0.00 0.00 0.00 178.44 179.60 2k8q h LEU 97 N -0.67 0.62 -1.71 1.67 3.38 -1.67 -3.32 115.31 113.61 2k8q h LEU 97 Ca -0.06 -0.26 -0.35 0.00 0.09 0.00 0.00 57.88 57.31 2k8q h LEU 97 Cb 1.23 -0.16 0.15 0.00 0.09 0.00 0.00 40.66 41.96 2k8q h LEU 97 CO 0.06 0.72 -0.79 0.00 0.09 0.00 0.00 178.44 178.53 2k8q n ALA 98 N -2.37 -2.04 -2.57 1.53 0.00 -0.11 -4.85 120.51 110.10 2k8q n ALA 98 Ca -0.01 -0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 2k8q n ALA 98 Cb 0.23 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 2k8q n ALA 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k8q s ARG 99 N -5.45 3.58 -0.37 0.00 3.00 -1.26 -4.98 118.95 113.47 2k8q s ARG 99 Ca 0.02 -0.10 -0.34 0.00 0.00 0.00 0.00 55.73 55.31 2k8q s ARG 99 Cb -0.00 -2.67 -0.11 0.00 0.00 0.00 0.00 34.95 32.17 2k8q s ARG 99 CO 0.75 0.22 2.24 1.04 0.00 0.00 0.00 175.30 179.54 2k8q n GLN 100 N -1.10 1.12 -0.77 3.54 1.13 -1.26 -4.70 117.38 115.34 2k8q n GLN 100 Ca -0.03 0.28 -0.01 0.00 -1.94 0.00 0.00 57.00 55.31 2k8q n GLN 100 Cb 0.54 -2.58 -0.01 0.00 0.11 0.00 0.00 30.24 28.31 2k8q n GLN 100 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k8q n GLY 101 N 6.43 0.75 2.98 1.08 0.00 -1.26 -5.06 105.19 110.10 2k8q n GLY 101 Ca 0.41 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 2k8q n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k8q s ASP 102 N -0.86 4.05 0.42 1.61 1.11 -1.26 -4.98 116.67 116.75 2k8q s ASP 102 Ca 0.06 -1.26 0.12 0.00 0.18 0.00 0.00 52.55 51.65 2k8q s ASP 102 Cb 0.07 -1.30 0.90 0.00 1.07 0.00 0.00 42.92 43.66 2k8q s ASP 102 CO -0.03 -0.22 1.96 0.25 1.18 0.00 0.00 175.17 178.30 2k8q h LEU 103 N 7.89 0.11 0.00 1.23 6.46 -2.02 -2.23 115.31 126.75 2k8q h LEU 103 Ca -0.18 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.50 2k8q h LEU 103 Cb 1.06 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 2k8q h LEU 103 CO 0.43 0.28 -0.90 0.00 -0.62 0.00 0.00 178.44 177.63 2k8q h ALA 104 N 1.74 0.64 -0.99 1.25 0.00 -2.04 -3.41 119.26 116.45 2k8q h ALA 104 Ca 0.02 -0.31 -0.70 0.00 0.00 0.00 0.00 54.91 53.92 2k8q h ALA 104 Cb 0.34 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 2k8q h ALA 104 CO 0.02 0.35 2.07 0.41 0.00 0.00 0.00 179.25 182.11 2k8q n GLY 105 N 1.24 3.07 0.08 0.00 0.00 -0.84 -4.57 105.19 104.17 2k8q n GLY 105 Ca -0.02 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.42 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 7.25 3.84 -3.86 4.61 0.00 -1.26 -4.79 120.51 126.30 2k8q n ALA 106 Ca 0.46 -0.46 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2k8q n ALA 106 Cb 0.44 -0.56 -0.17 0.00 0.00 0.00 0.00 19.45 19.16 2k8q n ALA 106 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2k8q s ASP 107 N -2.34 2.43 -0.04 0.00 -4.77 -1.26 -5.12 116.67 105.57 2k8q s ASP 107 Ca 0.07 -0.47 -0.29 0.00 -3.30 0.00 0.00 52.55 48.56 2k8q s ASP 107 Cb 0.12 -0.77 0.10 0.00 -1.09 0.00 0.00 42.92 41.27 2k8q s ASP 107 CO 0.58 -0.18 0.84 0.00 0.70 0.00 0.00 175.17 177.12 2k8q s ALA 108 N 1.74 -1.82 -0.03 2.11 0.00 -1.26 -5.17 121.76 117.34 2k8q s ALA 108 Ca 0.03 1.17 0.02 0.00 0.00 0.00 0.00 51.96 53.18 2k8q s ALA 108 Cb -0.14 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2k8q s ALA 108 CO -0.07 -0.53 -0.08 -0.51 0.00 0.00 0.00 175.76 174.57 2k8q s LEU 109 N -1.87 1.73 -0.26 0.00 1.43 -1.26 -5.12 118.68 113.33 2k8q s LEU 109 Ca -0.01 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2k8q s LEU 109 Cb -0.01 -0.49 0.14 0.00 0.03 0.00 0.00 46.19 45.87 2k8q s LEU 109 CO -0.03 0.04 0.38 0.42 0.23 0.00 0.00 176.35 177.39 2k8q s THR 110 N 0.29 -0.60 -0.34 5.49 -4.23 -1.26 -5.12 115.64 109.88 2k8q s THR 110 Ca -0.04 -0.18 -0.24 0.00 -1.18 0.00 0.00 61.69 60.05 2k8q s THR 110 Cb -0.09 -0.88 0.01 0.00 1.34 0.00 0.00 72.50 72.87 2k8q s THR 110 CO 0.00 -0.20 0.83 -0.70 -0.54 0.00 0.00 174.62 174.01 2k8q s GLU 111 N 2.53 3.88 -0.22 3.99 2.12 -1.26 -5.01 118.70 124.74 2k8q s GLU 111 Ca 0.11 0.53 -0.17 0.00 0.36 0.00 0.00 54.97 55.81 2k8q s GLU 111 Cb -0.14 -3.77 0.06 0.00 0.26 0.00 0.00 34.13 30.54 2k8q s GLU 111 CO -0.22 -0.79 0.56 -0.80 -0.54 0.00 0.00 175.26 173.47 2k8q s ASN 112 N 1.73 -0.64 -0.17 -1.70 0.01 -1.26 -5.17 114.94 107.75 2k8q s ASN 112 Ca 0.34 1.16 -0.15 0.00 -0.71 0.00 0.00 52.86 53.50 2k8q s ASN 112 Cb -0.13 1.12 0.05 0.00 0.41 0.00 0.00 41.25 42.69 2k8q s ASN 112 CO 0.15 -0.20 0.44 0.28 -1.51 0.00 0.00 177.10 176.26 2k8q s THR 113 N 0.76 -0.00 0.07 1.60 -1.32 -1.26 -5.17 115.64 110.32 2k8q s THR 113 Ca -0.04 0.01 0.03 0.00 -1.21 0.00 0.00 61.69 60.48 2k8q s THR 113 Cb -0.05 -0.63 -0.03 0.00 -1.51 0.00 0.00 72.50 70.28 2k8q s THR 113 CO -0.06 0.01 -0.08 -1.81 -2.21 0.00 0.00 174.62 170.47 2k8q s ASP 114 N 0.42 1.08 -0.15 8.08 1.01 -1.26 -5.14 116.67 120.71 2k8q s ASP 114 Ca -0.01 -0.71 -0.19 0.00 0.71 0.00 0.00 52.55 52.34 2k8q s ASP 114 Cb -0.04 0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.90 2k8q s ASP 114 CO -0.02 -0.27 0.52 0.00 0.21 0.00 0.00 175.17 175.62 2k8q s ALA 115 N -2.13 3.50 -0.55 5.23 0.00 -1.26 -5.02 121.76 121.52 2k8q s ALA 115 Ca -0.01 -0.25 -0.28 0.00 0.00 0.00 0.00 51.96 51.41 2k8q s ALA 115 Cb -0.05 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.33 2k8q s ALA 115 CO -0.01 -0.23 1.28 0.15 0.00 0.00 0.00 175.76 176.95 2k8q s LYS 116 N 1.14 3.47 -0.34 0.00 1.02 -1.26 -4.99 119.74 118.78 2k8q s LYS 116 Ca 0.26 0.39 -0.15 0.00 0.02 0.00 0.00 55.97 56.50 2k8q s LYS 116 Cb -0.15 -4.04 -0.02 0.00 -0.52 0.00 0.00 37.83 33.10 2k8q s LYS 116 CO 0.11 -1.73 0.34 0.15 -0.92 0.00 0.00 175.35 173.29 2k8q s LYS 117 N 5.10 3.59 -0.17 1.68 1.02 -1.26 -5.05 119.74 124.64 2k8q s LYS 117 Ca 0.48 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 56.05 2k8q s LYS 117 Cb -0.09 -3.79 0.03 0.00 -0.52 0.00 0.00 37.83 33.46 2k8q s LYS 117 CO 0.26 -0.49 -0.14 0.99 -0.92 0.00 0.00 175.35 175.05 2k8q s THR 118 N 1.97 1.71 -0.27 2.17 2.01 -1.26 -5.09 115.64 116.88 2k8q s THR 118 Ca 0.11 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 2k8q s THR 118 Cb -0.17 -1.63 0.09 0.00 0.01 0.00 0.00 72.50 70.80 2k8q s THR 118 CO 0.11 0.40 0.06 0.00 -0.69 0.00 0.00 174.62 174.50 2k8q s GLN 119 N 1.41 0.82 -0.42 4.92 -2.07 -1.26 -5.02 119.66 118.04 2k8q s GLN 119 Ca 0.03 -0.92 0.08 0.00 -1.82 0.00 0.00 55.36 52.73 2k8q s GLN 119 Cb -0.14 -2.11 0.26 0.00 -1.09 0.00 0.00 33.01 29.93 2k8q s GLN 119 CO -0.10 -0.86 0.67 1.63 -1.32 0.00 0.00 175.29 175.31 2k8q n LYS 120 N 4.86 0.76 -2.10 9.60 5.02 -1.26 -5.10 118.16 129.94 2k8q n LYS 120 Ca -0.05 -2.70 -0.43 0.00 -2.02 0.00 0.00 58.31 53.11 2k8q n LYS 120 Cb 0.43 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 2k8q n LYS 120 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k8q s PRO 121 N -0.60 3.57 -0.22 1.97 0.04 -1.26 -4.97 135.00 133.53 2k8q s PRO 121 Ca 0.34 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 2k8q s PRO 121 Cb 0.20 -4.10 0.10 0.00 0.04 0.00 0.00 34.50 30.74 2k8q s PRO 121 CO -0.15 -1.57 0.23 -0.51 0.04 0.00 0.00 177.00 175.04 2k8q s LEU 122 N 5.94 -0.11 -0.16 -3.56 1.43 -1.26 -5.14 118.68 115.83 2k8q s LEU 122 Ca 0.73 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.44 2k8q s LEU 122 Cb -0.22 0.38 -0.03 0.00 0.03 0.00 0.00 46.19 46.35 2k8q s LEU 122 CO 0.32 -0.34 0.00 -0.63 0.23 0.00 0.00 176.35 175.93 2k8q s ILE 123 N 2.32 4.25 0.07 -0.59 1.01 -1.26 -5.09 121.20 121.91 2k8q s ILE 123 Ca 0.07 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.25 2k8q s ILE 123 Cb -0.15 -2.88 0.06 0.00 0.01 0.00 0.00 42.46 39.49 2k8q s ILE 123 CO -0.16 0.49 0.59 0.00 0.00 0.00 0.00 174.94 175.85 2k8q s GLN 124 N 0.31 1.14 0.02 2.79 -2.07 -1.26 -5.18 119.66 115.41 2k8q s GLN 124 Ca -0.01 -0.21 0.02 0.00 -1.82 0.00 0.00 55.36 53.34 2k8q s GLN 124 Cb -0.13 0.52 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 2k8q s GLN 124 CO 0.02 -0.43 -0.07 -2.00 -1.32 0.00 0.00 175.29 171.49 2k8q s GLU 125 N -2.66 0.49 -0.31 9.60 2.12 -1.26 -5.13 118.70 121.55 2k8q s GLU 125 Ca -0.04 -0.46 -0.08 0.00 0.36 0.00 0.00 54.97 54.74 2k8q s GLU 125 Cb -0.01 -0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.01 2k8q s GLU 125 CO -0.03 0.09 0.12 0.08 -0.54 0.00 0.00 175.26 174.98 2k8q s VAL 126 N -0.71 4.32 -0.47 3.70 1.01 -1.26 -5.06 120.40 121.93 2k8q s VAL 126 Ca -0.03 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 2k8q s VAL 126 Cb -0.06 -3.23 0.08 0.00 0.00 0.00 0.00 36.38 33.18 2k8q s VAL 126 CO 0.00 0.05 0.38 -0.70 0.00 0.00 0.00 175.10 174.83 2k8q s GLU 127 N 1.56 2.87 0.20 2.72 2.56 -1.26 -5.04 118.70 122.31 2k8q s GLU 127 Ca 0.04 -1.45 -0.08 0.00 0.00 0.00 0.00 54.97 53.48 2k8q s GLU 127 Cb -0.17 -4.06 -0.02 0.00 2.00 0.00 0.00 34.13 31.88 2k8q s GLU 127 CO 0.05 -1.06 0.31 0.95 -0.56 0.00 0.00 175.26 174.94 2k8q s THR 128 N 1.57 0.03 0.17 -1.70 -4.23 -1.26 -5.18 115.64 105.03 2k8q s THR 128 Ca 0.04 -1.57 -0.18 0.00 -1.18 0.00 0.00 61.69 58.79 2k8q s THR 128 Cb -0.25 -2.15 0.04 0.00 1.34 0.00 0.00 72.50 71.48 2k8q s THR 128 CO 0.05 -0.12 0.51 -0.62 -0.54 0.00 0.00 174.62 173.90 2k8q s ASP 129 N -3.04 -0.32 -0.28 3.99 2.15 -1.26 -5.18 116.67 112.73 2k8q s ASP 129 Ca 0.25 -0.33 -0.21 0.00 0.43 0.00 0.00 52.55 52.69 2k8q s ASP 129 Cb 0.03 0.55 0.13 0.00 -0.30 0.00 0.00 42.92 43.33 2k8q s ASP 129 CO 0.07 -0.98 0.98 -0.83 -0.17 0.00 0.00 175.17 174.23 2k8q s GLY 130 N -2.83 -0.14 -0.18 2.66 0.00 -1.26 -5.17 107.32 100.40 2k8q s GLY 130 Ca 0.06 2.83 -0.18 0.00 0.00 0.00 0.00 44.72 47.43 2k8q s GLY 130 CO -0.08 2.17 0.50 0.54 0.00 0.00 0.00 173.10 176.23 2k8q s VAL 131 N 0.77 0.00 0.34 1.40 0.11 -1.26 -5.18 120.40 116.59 2k8q s VAL 131 Ca -0.03 -0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 2k8q s VAL 131 Cb -0.04 -0.70 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 2k8q s VAL 131 CO -0.11 -0.01 0.04 -0.55 -3.33 0.00 0.00 175.10 171.15 2k8q s SER 132 N 0.19 2.76 0.29 3.54 0.15 -1.26 -5.17 113.70 114.19 2k8q s SER 132 Ca -0.01 -1.37 0.02 0.00 0.70 0.00 0.00 55.95 55.30 2k8q s SER 132 Cb -0.03 -0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.06 2k8q s SER 132 CO 0.01 -0.56 0.10 0.21 1.20 0.00 0.00 173.24 174.20 2k8q s ASN 133 N -3.54 1.56 0.00 5.45 3.84 -1.26 -5.39 114.94 115.60 2k8q s ASN 133 Ca 0.36 -1.42 0.17 0.00 0.21 0.00 0.00 52.86 52.18 2k8q s ASN 133 Cb 0.09 0.15 0.13 0.00 -0.55 0.00 0.00 41.25 41.07 2k8q s ASN 133 CO 0.16 -0.73 1.03 -3.20 -2.79 0.00 0.00 177.10 171.57