#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8q s ILE 2 N 0.00 0.30 0.00 -0.61 1.01 0.80 -4.97 121.20 117.73 2k8q s ILE 2 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2k8q s ILE 2 Cb 0.00 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2k8q s ILE 2 CO 0.00 0.22 0.00 1.07 0.00 0.00 0.00 174.94 176.23 2k8q n THR 3 N 4.73 0.00 -0.02 2.92 5.66 -1.26 -4.18 114.28 122.13 2k8q n THR 3 Ca -0.14 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 2k8q n THR 3 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 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 0.00 0.06 -2.17 1.09 0.13 -2.01 -3.47 132.00 125.63 2k8q h PRO 4 Ca 0.00 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 2k8q h PRO 4 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 2k8q h PRO 4 CO 0.00 0.53 0.10 1.03 -0.23 0.00 0.00 178.00 179.43 2k8q s ARG 5 N -4.25 0.94 -0.28 0.86 3.00 -1.26 -5.08 118.95 112.88 2k8q s ARG 5 Ca -0.16 0.35 -0.21 0.00 0.00 0.00 0.00 55.73 55.72 2k8q s ARG 5 Cb 0.02 0.44 0.11 0.00 0.00 0.00 0.00 34.95 35.53 2k8q s ARG 5 CO 0.69 -0.25 0.90 -0.59 0.00 0.00 0.00 175.30 176.04 2k8q s PHE 6 N -0.85 -0.67 0.03 -0.53 -0.12 -1.26 -0.67 117.98 113.92 2k8q s PHE 6 Ca -0.09 1.47 0.07 0.00 -0.05 0.00 0.00 56.93 58.33 2k8q s PHE 6 Cb -0.02 0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 42.74 2k8q s PHE 6 CO 0.07 -0.33 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.59 2k8q s SER 7 N 0.84 2.44 -0.02 1.98 0.01 0.24 -4.96 113.70 114.24 2k8q s SER 7 Ca -0.03 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.76 2k8q s SER 7 Cb -0.05 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2k8q s SER 7 CO -0.10 0.17 -0.08 -0.63 0.41 0.00 0.00 173.24 173.01 2k8q s ILE 8 N -0.75 3.55 0.05 1.44 1.01 -1.26 0.02 121.20 125.26 2k8q s ILE 8 Ca 0.07 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2k8q s ILE 8 Cb -0.09 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 2k8q s ILE 8 CO 0.01 0.48 -0.17 -0.89 0.00 0.00 0.00 174.94 174.37 2k8q s THR 9 N -0.91 1.34 0.03 2.92 2.01 0.82 -4.87 115.64 116.99 2k8q s THR 9 Ca 0.15 -1.16 0.06 0.00 0.31 0.00 0.00 61.69 61.05 2k8q s THR 9 Cb -0.11 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 2k8q s THR 9 CO 0.05 0.03 -0.15 0.00 -0.69 0.00 0.00 174.62 173.85 2k8q s GLN 10 N -1.32 2.20 0.41 4.92 0.00 -1.26 -0.82 119.66 123.80 2k8q s GLN 10 Ca 0.03 -0.91 0.04 0.00 -0.00 0.00 0.00 55.36 54.52 2k8q s GLN 10 Cb -0.09 -2.27 -0.03 0.00 0.00 0.00 0.00 33.01 30.63 2k8q s GLN 10 CO 0.02 0.56 0.12 -0.51 0.00 0.00 0.00 175.29 175.48 2k8q s ASP 11 N -1.40 2.81 -0.11 12.60 1.01 -0.72 -4.93 116.67 125.94 2k8q s ASP 11 Ca 0.15 -1.66 0.10 0.00 0.71 0.00 0.00 52.55 51.86 2k8q s ASP 11 Cb -0.11 0.47 0.49 0.00 1.01 0.00 0.00 42.92 44.79 2k8q s ASP 11 CO 0.06 -0.91 1.30 -1.84 0.21 0.00 0.00 175.17 173.99 2k8q n GLU 12 N -0.91 3.13 0.00 8.23 0.28 -1.26 -4.25 120.64 125.86 2k8q n GLU 12 Ca -0.06 -1.92 0.00 0.00 -0.16 0.00 0.00 57.16 55.02 2k8q n GLU 12 Cb 0.65 -1.83 0.00 0.00 1.43 0.00 0.00 31.44 31.69 2k8q n GLU 12 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2k8q n GLU 13 N 0.51 0.00 -3.38 3.44 0.28 -1.26 -2.20 120.64 118.03 2k8q n GLU 13 Ca 0.17 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.08 2k8q n GLU 13 Cb 0.74 -0.37 0.01 0.00 1.43 0.00 0.00 31.44 33.24 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 -1.63 -1.82 -4.27 -1.84 -1.74 -1.26 -4.13 117.46 100.77 2k8q n PHE 14 Ca 0.00 -1.68 -0.35 0.00 -0.56 0.00 0.00 57.45 54.86 2k8q n PHE 14 Cb 0.00 0.65 -0.09 0.00 1.52 0.00 0.00 39.48 41.57 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 -2.44 4.51 -0.33 1.97 -1.09 -0.48 -1.75 121.20 121.59 2k8q s ILE 15 Ca 0.17 -0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.39 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 0.12 0.56 0.05 0.12 -1.23 0.00 0.00 174.94 174.56 2k8q s PHE 16 N -0.96 3.42 -0.23 3.97 5.36 0.00 -2.52 117.98 127.02 2k8q s PHE 16 Ca 0.15 -2.78 -0.13 0.00 -0.96 0.00 0.00 56.93 53.21 2k8q s PHE 16 Cb -0.12 -2.70 -0.05 0.00 -0.34 0.00 0.00 43.02 39.82 2k8q s PHE 16 CO 0.05 -0.94 0.25 -1.17 -1.46 0.00 0.00 175.22 171.96 2k8q s LEU 17 N 1.02 4.12 -0.08 6.12 2.96 -0.20 -0.12 118.68 132.51 2k8q s LEU 17 Ca 0.10 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 2k8q s LEU 17 Cb -0.19 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 2k8q s LEU 17 CO -0.11 -0.00 -0.06 -1.59 -1.32 0.00 0.00 176.35 173.27 2k8q s LYS 18 N 1.24 2.84 -0.09 1.98 -2.85 0.10 -0.38 119.74 122.57 2k8q s LYS 18 Ca 0.12 -0.53 0.02 0.00 -1.00 0.00 0.00 55.97 54.58 2k8q s LYS 18 Cb -0.14 -2.63 0.01 0.00 -2.06 0.00 0.00 37.83 33.01 2k8q s LYS 18 CO 0.06 0.64 -0.14 0.42 0.10 0.00 0.00 175.35 176.43 2k8q s ILE 19 N -0.73 1.35 -0.11 3.79 1.09 0.18 -0.59 121.20 126.17 2k8q s ILE 19 Ca 0.11 -0.57 -0.20 0.00 -1.10 0.00 0.00 60.65 58.89 2k8q s ILE 19 Cb -0.11 -1.23 -0.04 0.00 -1.06 0.00 0.00 42.46 40.02 2k8q s ILE 19 CO 0.02 0.41 0.55 -0.36 -0.10 0.00 0.00 174.94 175.45 2k8q s PHE 20 N 0.88 3.52 0.18 3.97 0.08 0.16 -0.08 117.98 126.69 2k8q s PHE 20 Ca -0.10 1.00 -0.12 0.00 0.12 0.00 0.00 56.93 57.83 2k8q s PHE 20 Cb -0.15 -2.64 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 2k8q s PHE 20 CO 0.01 0.13 0.37 0.96 -0.10 0.00 0.00 175.22 176.59 2k8q s ILE 21 N 0.74 0.05 0.05 0.64 -4.36 -1.18 -3.98 121.20 113.16 2k8q s ILE 21 Ca 0.30 -1.23 -0.00 0.00 -0.26 0.00 0.00 60.65 59.46 2k8q s ILE 21 Cb -0.16 -1.82 0.01 0.00 1.25 0.00 0.00 42.46 41.74 2k8q s ILE 21 CO 0.13 -0.21 0.07 -1.20 0.24 0.00 0.00 174.94 173.97 2k8q n SER 22 N -0.27 0.10 -1.52 4.36 7.64 -1.26 -4.44 113.62 118.22 2k8q n SER 22 Ca -0.07 -1.08 0.03 0.00 1.01 0.00 0.00 58.87 58.76 2k8q n SER 22 Cb 0.63 -0.05 0.28 0.00 -1.01 0.00 0.00 64.21 64.06 2k8q n SER 22 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k8q n ASN 23 N -2.99 4.32 -3.15 6.43 3.02 -1.26 -4.96 115.26 116.67 2k8q n ASN 23 Ca 0.01 -2.70 -0.16 0.00 -0.03 0.00 0.00 54.58 51.71 2k8q n ASN 23 Cb 0.04 -0.64 0.15 0.00 -0.61 0.00 0.00 39.78 38.72 2k8q n ASN 23 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2k8q n ILE 24 N 0.37 0.00 -1.48 2.41 -6.64 -1.26 -4.68 119.36 108.08 2k8q n ILE 24 Ca 0.21 0.00 -0.44 0.00 -1.77 0.00 0.00 62.75 60.75 2k8q n ILE 24 Cb 0.96 -0.50 -0.08 0.00 -1.44 0.00 0.00 39.64 38.57 2k8q n ILE 24 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 2k8q n ARG 25 N -3.66 0.73 -3.93 6.28 5.12 -1.26 -4.88 116.66 115.06 2k8q n ARG 25 Ca 0.07 0.11 -0.31 0.00 -1.93 0.00 0.00 57.85 55.79 2k8q n ARG 25 Cb 0.31 -2.44 -0.14 0.00 -1.16 0.00 0.00 32.46 29.03 2k8q n ARG 25 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2k8q s PHE 26 N 9.15 3.38 0.54 -1.55 2.19 -1.26 -4.86 117.98 125.58 2k8q s PHE 26 Ca 1.14 -3.04 -0.06 0.00 0.33 0.00 0.00 56.93 55.30 2k8q s PHE 26 Cb -0.80 -2.92 -0.02 0.00 -1.31 0.00 0.00 43.02 37.97 2k8q s PHE 26 CO 0.43 -0.82 0.86 -1.12 1.83 0.00 0.00 175.22 176.40 2k8q s SER 27 N 0.24 6.02 -0.22 6.13 0.01 -1.26 -5.00 113.70 119.62 2k8q s SER 27 Ca 0.15 0.92 0.14 0.00 1.31 0.00 0.00 55.95 58.47 2k8q s SER 27 Cb -0.23 -2.09 0.49 0.00 0.21 0.00 0.00 66.02 64.39 2k8q s SER 27 CO -0.03 -0.79 1.40 0.00 0.41 0.00 0.00 173.24 174.23 2k8q n ALA 28 N -2.45 3.42 0.12 1.44 0.00 -1.26 -4.45 120.51 117.33 2k8q n ALA 28 Ca 0.03 -2.70 0.05 0.00 0.00 0.00 0.00 53.44 50.82 2k8q n ALA 28 Cb 0.56 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.89 0.00 0.60 0.00 0.24 -1.26 -4.55 118.33 112.47 2k8q n VAL 29 Ca 0.25 -0.25 0.06 0.00 -2.04 0.00 0.00 64.34 62.37 2k8q n VAL 29 Cb 0.91 0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.69 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 1.73 -0.15 3.64 7.63 0.00 -1.26 -4.95 105.19 111.83 2k8q n GLY 30 Ca -0.01 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.27 4.02 -0.35 0.99 1.43 -1.26 -4.42 118.68 116.82 2k8q s LEU 31 Ca 0.08 1.54 -0.06 0.00 -1.03 0.00 0.00 54.13 54.66 2k8q s LEU 31 Cb 0.10 -3.54 0.21 0.00 0.03 0.00 0.00 46.19 43.00 2k8q s LEU 31 CO 0.44 -0.99 1.08 -0.70 0.23 0.00 0.00 176.35 176.41 2k8q s GLU 32 N 4.03 0.26 0.10 1.70 2.56 -1.26 -4.98 118.70 121.11 2k8q s GLU 32 Ca 0.60 -0.26 -0.30 0.00 0.00 0.00 0.00 54.97 55.01 2k8q s GLU 32 Cb -0.21 -0.01 -0.06 0.00 2.00 0.00 0.00 34.13 35.84 2k8q s GLU 32 CO 0.22 -0.32 1.16 0.42 -0.56 0.00 0.00 175.26 176.17 2k8q s ILE 33 N 0.98 3.99 0.00 -3.70 1.01 -1.26 -4.51 121.20 117.71 2k8q s ILE 33 Ca 0.24 1.53 0.06 0.00 0.00 0.00 0.00 60.65 62.48 2k8q s ILE 33 Cb 0.12 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 2k8q s ILE 33 CO -0.10 0.17 -0.19 -0.51 0.00 0.00 0.00 174.94 174.31 2k8q s ILE 34 N 0.58 1.51 -0.19 2.92 -1.16 -1.03 -4.98 121.20 118.85 2k8q s ILE 34 Ca 0.55 -0.91 -0.08 0.00 -0.51 0.00 0.00 60.65 59.70 2k8q s ILE 34 Cb -0.29 -1.28 -0.04 0.00 0.61 0.00 0.00 42.46 41.46 2k8q s ILE 34 CO 0.31 0.35 0.09 -0.63 -2.81 0.00 0.00 174.94 172.25 2k8q s ILE 35 N -0.55 5.00 0.15 2.00 1.09 -1.26 -0.76 121.20 126.87 2k8q s ILE 35 Ca 0.07 0.04 -0.02 0.00 -1.10 0.00 0.00 60.65 59.64 2k8q s ILE 35 Cb -0.08 -3.27 0.04 0.00 -1.06 0.00 0.00 42.46 38.09 2k8q s ILE 35 CO -0.00 0.45 0.16 0.00 -0.10 0.00 0.00 174.94 175.45 2k8q n GLN 36 N 3.56 -0.82 -0.24 2.79 1.13 0.10 -4.62 117.38 119.28 2k8q n GLN 36 Ca -0.16 -0.25 0.19 0.00 -1.94 0.00 0.00 57.00 54.84 2k8q n GLN 36 Cb 0.52 -0.20 0.51 0.00 0.11 0.00 0.00 30.24 31.18 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 0.39 0.00 -1.09 4.11 -1.99 -3.39 114.58 112.61 2k8q h GLU 37 Ca -0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2k8q h GLU 37 Cb 0.16 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2k8q h GLU 37 CO 0.04 0.26 0.00 0.27 0.07 0.00 0.00 179.01 179.65 2k8q n ASN 38 N -4.51 -0.03 -4.66 3.06 6.94 -1.26 -4.13 115.26 110.67 2k8q n ASN 38 Ca 0.19 0.06 -0.29 0.00 -0.02 0.00 0.00 54.58 54.52 2k8q n ASN 38 Cb 0.69 0.06 0.15 0.00 -2.36 0.00 0.00 39.78 38.31 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 -2.00 0.90 -0.07 -3.83 0.23 -1.26 -2.36 119.30 110.91 2k8q s MET 39 Ca 0.00 0.22 0.04 0.00 -1.03 0.00 0.00 55.69 54.92 2k8q s MET 39 Cb 0.00 -1.82 -0.02 0.00 -1.53 0.00 0.00 34.83 31.47 2k8q s MET 39 CO 0.00 -2.35 -0.19 0.42 -2.03 0.00 0.00 175.02 170.87 2k8q s ILE 40 N -3.29 2.58 -0.24 3.16 1.01 -0.23 0.03 121.20 124.22 2k8q s ILE 40 Ca 0.65 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 2k8q s ILE 40 Cb -0.14 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 2k8q s ILE 40 CO 0.54 0.57 0.04 -0.63 0.00 0.00 0.00 174.94 175.46 2k8q s ILE 41 N -0.25 4.10 -0.50 2.92 -1.09 0.06 -1.49 121.20 124.95 2k8q s ILE 41 Ca 0.00 -0.24 -0.18 0.00 -2.23 0.00 0.00 60.65 58.00 2k8q s ILE 41 Cb -0.13 -2.91 0.07 0.00 -1.58 0.00 0.00 42.46 37.91 2k8q s ILE 41 CO 0.03 0.36 0.53 0.12 -1.23 0.00 0.00 174.94 174.75 2k8q s PHE 42 N 1.57 3.13 -0.11 3.97 5.36 0.64 -2.48 117.98 130.06 2k8q s PHE 42 Ca 0.06 -0.72 0.18 0.00 -0.96 0.00 0.00 56.93 55.48 2k8q s PHE 42 Cb -0.15 -3.41 -0.26 0.00 -0.34 0.00 0.00 43.02 38.85 2k8q s PHE 42 CO 0.02 -0.95 0.43 1.58 -1.46 0.00 0.00 175.22 174.84 2k8q n HIS 43 N 5.77 0.00 -1.33 10.12 -0.00 -1.26 -1.44 115.22 127.08 2k8q n HIS 43 Ca -0.09 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.73 2k8q n HIS 43 Cb 0.44 -0.36 0.08 0.00 -0.12 0.00 0.00 29.99 30.03 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 2.30 -1.25 0.27 0.00 -1.26 -4.73 117.00 110.29 2k8q n LEU 44 Ca -0.02 0.64 0.16 0.00 0.00 0.00 0.00 56.01 56.79 2k8q n LEU 44 Cb 0.44 -1.32 -0.07 0.00 0.00 0.00 0.00 43.42 42.47 2k8q n LEU 44 CO 0.37 -2.52 -0.45 -1.20 0.00 0.00 0.00 177.39 173.59 2k8q n SER 45 N -0.99 -7.31 0.00 1.96 7.64 -1.26 -4.17 113.62 109.48 2k8q n SER 45 Ca 0.12 1.02 0.07 0.00 1.01 0.00 0.00 58.87 61.09 2k8q n SER 45 Cb 0.49 -4.15 0.39 0.00 -1.01 0.00 0.00 64.21 59.93 2k8q n SER 45 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k8q n PRO 46 N -4.07 0.25 -4.33 1.43 -0.04 -1.26 -4.63 135.00 122.35 2k8q n PRO 46 Ca -0.05 0.12 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 2k8q n PRO 46 Cb 0.59 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.48 3.03 -0.11 0.54 2.02 -1.26 -5.10 117.35 113.99 2k8q s TYR 47 Ca 0.15 -0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.38 2k8q s TYR 47 Cb 0.10 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.63 2k8q s TYR 47 CO 0.22 -0.07 0.36 -0.47 -1.57 0.00 0.00 175.55 174.02 2k8q s TYR 48 N 0.48 3.55 0.02 2.71 6.14 -1.26 -4.64 117.35 124.34 2k8q s TYR 48 Ca -0.03 0.77 0.05 0.00 0.64 0.00 0.00 57.07 58.50 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 0.34 -0.15 -1.17 0.64 0.00 0.00 175.55 175.23 2k8q s LEU 49 N 0.07 2.11 -0.19 6.97 0.20 -0.52 -0.14 118.68 127.18 2k8q s LEU 49 Ca 0.21 -0.39 0.01 0.00 0.69 0.00 0.00 54.13 54.65 2k8q s LEU 49 Cb -0.14 -0.71 0.04 0.00 -0.43 0.00 0.00 46.19 44.94 2k8q s LEU 49 CO 0.08 0.11 -0.14 -0.60 -0.29 0.00 0.00 176.35 175.51 2k8q s ARG 50 N -0.82 2.38 -0.24 1.98 3.52 -1.26 -0.26 118.95 124.25 2k8q s ARG 50 Ca 0.04 -0.87 -0.07 0.00 -0.13 0.00 0.00 55.73 54.69 2k8q s ARG 50 Cb -0.07 -2.49 -0.03 0.00 -1.56 0.00 0.00 34.95 30.80 2k8q s ARG 50 CO 0.01 -0.36 0.07 -0.51 -0.81 0.00 0.00 175.30 173.70 2k8q s LEU 51 N 1.33 3.49 -0.36 -0.88 1.43 -0.55 -4.19 118.68 118.95 2k8q s LEU 51 Ca 0.00 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2k8q s LEU 51 Cb -0.15 -1.93 0.09 0.00 0.03 0.00 0.00 46.19 44.23 2k8q s LEU 51 CO -0.09 -0.00 0.10 -0.60 0.23 0.00 0.00 176.35 175.98 2k8q s ARG 52 N 1.44 2.00 0.23 1.70 3.00 -1.24 -1.07 118.95 125.01 2k8q s ARG 52 Ca 0.05 -1.66 -0.02 0.00 -1.00 0.00 0.00 55.73 53.10 2k8q s ARG 52 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 34.95 31.41 2k8q s ARG 52 CO 0.04 -0.89 0.44 -0.06 0.00 0.00 0.00 175.30 174.82 2k8q s PHE 53 N 1.11 3.48 -1.21 5.12 0.08 -1.26 -4.51 117.98 120.79 2k8q s PHE 53 Ca 0.04 0.41 0.14 0.00 0.12 0.00 0.00 56.93 57.65 2k8q s PHE 53 Cb -0.21 -1.91 0.67 0.00 -0.57 0.00 0.00 43.02 41.00 2k8q s PHE 53 CO -0.04 0.31 1.43 -0.35 -0.10 0.00 0.00 175.22 176.47 2k8q n PRO 54 N -0.81 0.10 -2.28 0.24 -0.04 -1.26 -4.76 135.00 126.18 2k8q n PRO 54 Ca -0.04 0.20 -0.08 0.00 -0.04 0.00 0.00 63.50 63.54 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 -1.40 -1.01 -3.99 0.54 8.25 -1.26 -5.14 115.22 111.22 2k8q n HIS 55 Ca 0.05 -0.71 -0.29 0.00 -0.26 0.00 0.00 57.72 56.52 2k8q n HIS 55 Cb 0.14 -0.13 -0.17 0.00 1.12 0.00 0.00 29.99 30.96 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 -2.66 2.02 0.52 -0.41 -1.05 -1.26 -4.59 118.70 111.28 2k8q s GLU 56 Ca 0.08 -0.45 0.09 0.00 -0.15 0.00 0.00 54.97 54.54 2k8q s GLU 56 Cb -0.01 -1.92 0.06 0.00 -0.44 0.00 0.00 34.13 31.83 2k8q s GLU 56 CO 0.05 -0.24 0.72 -0.51 0.95 0.00 0.00 175.26 176.23 2k8q s LEU 57 N 1.55 3.29 0.01 1.83 1.43 -0.99 -3.65 118.68 122.14 2k8q s LEU 57 Ca 0.05 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 2k8q s LEU 57 Cb -0.13 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 2k8q s LEU 57 CO -0.10 -1.15 -0.05 -0.51 0.23 0.00 0.00 176.35 174.77 2k8q s ILE 58 N -2.56 0.33 -0.66 -0.59 2.07 -0.99 -4.22 121.20 114.58 2k8q s ILE 58 Ca 0.60 -0.52 -0.14 0.00 -1.41 0.00 0.00 60.65 59.18 2k8q s ILE 58 Cb -0.07 -0.35 0.17 0.00 0.13 0.00 0.00 42.46 42.34 2k8q s ILE 58 CO 0.37 -0.13 0.60 -0.62 -1.91 0.00 0.00 174.94 173.24 2k8q s ASP 59 N -0.70 6.33 0.00 4.50 2.15 -1.26 -3.85 116.67 123.83 2k8q s ASP 59 Ca -0.04 -2.26 0.00 0.00 0.43 0.00 0.00 52.55 50.68 2k8q s ASP 59 Cb -0.05 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2k8q s ASP 59 CO -0.00 -0.69 0.00 -0.67 -0.17 0.00 0.00 175.17 173.64 2k8q n ASP 60 N 4.55 0.31 0.19 -0.34 2.03 -1.26 -4.97 116.55 117.06 2k8q n ASP 60 Ca -0.00 -0.77 0.04 0.00 0.52 0.00 0.00 54.79 54.59 2k8q n ASP 60 Cb 0.43 0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.22 2k8q n ASP 60 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2k8q h GLU 61 N 0.00 0.00 -0.12 -0.67 4.11 -2.04 -2.69 114.58 113.18 2k8q h GLU 61 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 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 0.35 -0.34 0.07 0.07 0.00 0.00 179.01 179.16 2k8q h ARG 62 N 0.00 0.23 -6.43 1.06 -0.00 -1.98 -3.44 114.38 103.82 2k8q h ARG 62 Ca -0.00 -0.09 -0.62 0.00 -0.00 0.00 0.00 59.98 59.26 2k8q h ARG 62 Cb 0.67 -0.01 0.07 0.00 -0.00 0.00 0.00 29.97 30.70 2k8q h ARG 62 CO 0.05 0.55 0.52 -1.13 -0.00 0.00 0.00 179.97 179.96 2k8q n SER 63 N -4.09 2.18 -3.61 0.08 3.41 -1.02 -4.94 113.62 105.64 2k8q n SER 63 Ca -0.01 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 2k8q n SER 63 Cb 0.42 -1.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.05 2k8q n SER 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2k8q s THR 64 N 0.25 0.00 0.01 6.66 -1.32 -1.16 -4.94 115.64 115.14 2k8q s THR 64 Ca 0.76 -0.01 0.04 0.00 -1.21 0.00 0.00 61.69 61.27 2k8q s THR 64 Cb -0.78 -1.41 -0.02 0.00 -1.51 0.00 0.00 72.50 68.78 2k8q s THR 64 CO 0.47 0.00 -0.13 0.00 -2.21 0.00 0.00 174.62 172.75 2k8q s ALA 65 N -2.04 1.08 -0.07 11.08 0.00 -1.26 -1.34 121.76 129.21 2k8q s ALA 65 Ca 0.13 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.47 2k8q s ALA 65 Cb 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 2k8q s ALA 65 CO -0.04 0.23 -0.22 -0.65 0.00 0.00 0.00 175.76 175.08 2k8q s GLN 66 N -0.70 2.50 -0.13 0.00 -0.21 0.69 -4.96 119.66 116.86 2k8q s GLN 66 Ca 0.03 -0.80 -0.23 0.00 0.02 0.00 0.00 55.36 54.37 2k8q s GLN 66 Cb -0.06 -2.03 -0.03 0.00 1.00 0.00 0.00 33.01 31.89 2k8q s GLN 66 CO 0.00 0.26 0.72 -0.47 -2.12 0.00 0.00 175.29 173.69 2k8q s TYR 67 N 0.11 3.48 -0.25 0.91 5.04 -1.26 -0.85 117.35 124.52 2k8q s TYR 67 Ca -0.10 1.18 -0.08 0.00 -2.44 0.00 0.00 57.07 55.63 2k8q s TYR 67 Cb -0.15 -2.87 -0.04 0.00 0.35 0.00 0.00 41.96 39.26 2k8q s TYR 67 CO 0.05 -0.07 0.10 -0.51 -1.34 0.00 0.00 175.55 173.78 2k8q s ASP 68 N 1.00 5.43 -0.03 4.32 1.11 0.56 -4.97 116.67 124.09 2k8q s ASP 68 Ca 0.36 -0.12 -0.07 0.00 0.18 0.00 0.00 52.55 52.90 2k8q s ASP 68 Cb -0.17 -1.98 -0.29 0.00 1.07 0.00 0.00 42.92 41.55 2k8q s ASP 68 CO 0.15 -0.02 0.71 -1.28 1.18 0.00 0.00 175.17 175.91 2k8q h SER 69 N 8.11 0.50 -0.83 0.27 0.87 -1.93 0.33 113.55 120.87 2k8q h SER 69 Ca -0.37 -0.76 0.24 0.00 -1.23 0.00 0.00 61.79 59.67 2k8q h SER 69 Cb 1.18 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 2k8q h SER 69 CO 0.58 1.64 0.60 0.07 -0.53 0.00 0.00 176.83 179.19 2k8q h LYS 70 N 0.09 0.01 0.00 2.24 5.09 -1.95 -1.69 116.57 120.35 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 2.06 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.39 2k8q h LYS 70 CO 0.16 0.01 0.00 -3.47 -2.09 0.00 0.00 179.45 174.06 2k8q n ASP 71 N -4.29 0.40 -2.07 7.07 2.03 -1.25 -5.00 116.55 113.44 2k8q n ASP 71 Ca 0.17 -0.69 -0.21 0.00 0.52 0.00 0.00 54.79 54.58 2k8q n ASP 71 Cb 0.89 0.48 -0.04 0.00 -0.72 0.00 0.00 41.12 41.73 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 -0.48 -1.59 -4.26 -0.67 4.71 0.10 -4.81 120.64 113.64 2k8q n GLU 72 Ca 0.00 1.10 -0.23 0.00 -0.01 0.00 0.00 57.16 58.02 2k8q n GLU 72 Cb 0.01 -5.65 -0.07 0.00 -1.01 0.00 0.00 31.44 24.73 2k8q n GLU 72 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k8q s ILE 74 N -2.25 4.31 -0.21 0.00 -1.09 0.88 -0.32 121.20 122.52 2k8q s ILE 74 Ca 0.31 -0.22 -0.05 0.00 -2.23 0.00 0.00 60.65 58.46 2k8q s ILE 74 Cb -0.07 -2.87 -0.02 0.00 -1.58 0.00 0.00 42.46 37.92 2k8q s ILE 74 CO 0.21 0.53 0.00 0.20 -1.23 0.00 0.00 174.94 174.65 2k8q s ASN 75 N -0.17 4.78 -0.16 3.58 0.01 -0.03 -0.65 114.94 122.31 2k8q s ASN 75 Ca 0.05 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 2k8q s ASN 75 Cb -0.13 -1.82 0.00 0.00 0.41 0.00 0.00 41.25 39.71 2k8q s ASN 75 CO 0.02 0.04 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.80 2k8q s VAL 76 N 1.16 2.60 -0.05 1.60 1.01 0.48 -0.22 120.40 126.98 2k8q s VAL 76 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2k8q s VAL 76 Cb -0.14 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2k8q s VAL 76 CO 0.01 0.52 -0.10 -1.59 0.00 0.00 0.00 175.10 173.94 2k8q s LYS 77 N 0.86 2.61 -0.10 2.72 0.00 -0.45 -1.03 119.74 124.34 2k8q s LYS 77 Ca -0.05 -0.64 -0.06 0.00 0.00 0.00 0.00 55.97 55.23 2k8q s LYS 77 Cb -0.15 -2.48 0.04 0.00 0.00 0.00 0.00 37.83 35.24 2k8q s LYS 77 CO -0.01 0.64 0.25 0.54 0.00 0.00 0.00 175.35 176.77 2k8q s VAL 78 N -0.80 -0.03 0.43 1.79 0.11 -1.05 -2.96 120.40 117.88 2k8q s VAL 78 Ca 0.13 0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 59.07 2k8q s VAL 78 Cb -0.11 -0.38 -0.09 0.00 -1.53 0.00 0.00 36.38 34.28 2k8q s VAL 78 CO 0.02 0.05 1.06 0.00 -3.33 0.00 0.00 175.10 172.89 2k8q s ALA 79 N 1.06 3.01 0.17 1.54 0.00 -1.25 -1.38 121.76 124.92 2k8q s ALA 79 Ca -0.08 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.61 2k8q s ALA 79 Cb -0.09 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2k8q s ALA 79 CO -0.07 -0.28 0.26 0.15 0.00 0.00 0.00 175.76 175.83 2k8q s LYS 80 N -2.73 3.32 0.35 0.00 -0.14 -1.26 -2.34 119.74 116.94 2k8q s LYS 80 Ca 0.61 -0.69 0.16 0.00 -1.36 0.00 0.00 55.97 54.69 2k8q s LYS 80 Cb -0.21 -2.88 0.63 0.00 -1.68 0.00 0.00 37.83 33.69 2k8q s LYS 80 CO 0.26 0.50 1.73 -0.07 -0.76 0.00 0.00 175.35 177.00 2k8q h LEU 81 N 2.01 0.00 -7.82 3.17 3.38 -1.89 -3.43 115.31 110.72 2k8q h LEU 81 Ca -0.49 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.04 2k8q h LEU 81 Cb 1.20 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.62 2k8q h LEU 81 CO 0.66 0.44 -0.79 0.54 0.09 0.00 0.00 178.44 179.38 2k8q s ASN 82 N -6.62 1.22 0.73 -0.43 2.20 -1.26 -5.13 114.94 105.64 2k8q s ASN 82 Ca -0.01 -0.19 -0.11 0.00 -0.94 0.00 0.00 52.86 51.61 2k8q s ASN 82 Cb 0.12 -0.58 0.03 0.00 -2.00 0.00 0.00 41.25 38.82 2k8q s ASN 82 CO 0.71 -0.02 1.07 -0.75 -2.94 0.00 0.00 177.10 175.17 2k8q s LYS 83 N 0.82 2.68 -1.43 3.55 2.20 -1.26 -3.49 119.74 122.81 2k8q s LYS 83 Ca -0.12 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 2k8q s LYS 83 Cb -0.15 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 2k8q s LYS 83 CO 0.01 -1.25 0.00 0.09 -0.36 0.00 0.00 175.35 173.84 2k8q n ASN 84 N -3.22 -5.38 -4.80 1.43 5.03 -0.94 -4.96 115.26 102.43 2k8q n ASN 84 Ca 0.07 0.33 -0.38 0.00 0.87 0.00 0.00 54.58 55.48 2k8q n ASN 84 Cb 0.54 -4.06 -0.06 0.00 -1.02 0.00 0.00 39.78 35.18 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 -3.08 4.04 0.48 3.52 2.56 -1.23 -4.98 118.70 120.01 2k8q s GLU 85 Ca 0.00 0.41 0.03 0.00 0.00 0.00 0.00 54.97 55.41 2k8q s GLU 85 Cb 0.00 -3.28 0.03 0.00 2.00 0.00 0.00 34.13 32.88 2k8q s GLU 85 CO 0.00 0.55 0.24 2.48 -0.56 0.00 0.00 175.26 177.97 2k8q n TYR 86 N 2.31 -0.08 -4.15 5.30 4.11 -1.26 -4.66 117.16 118.72 2k8q n TYR 86 Ca -0.12 -2.13 -0.15 0.00 -0.00 0.00 0.00 57.90 55.50 2k8q n TYR 86 Cb 0.52 -0.36 -0.11 0.00 -0.00 0.00 0.00 39.34 39.39 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 -2.50 1.02 -0.07 -3.48 0.40 -1.26 -4.99 117.98 107.10 2k8q s PHE 87 Ca 0.18 -0.60 0.10 0.00 -0.60 0.00 0.00 56.93 56.01 2k8q s PHE 87 Cb -0.01 -0.57 0.15 0.00 0.51 0.00 0.00 43.02 43.10 2k8q s PHE 87 CO 0.11 -0.01 1.04 0.39 0.70 0.00 0.00 175.22 177.46 2k8q n GLU 88 N 0.84 1.34 -0.00 0.44 -0.58 -1.26 -4.69 120.64 116.73 2k8q n GLU 88 Ca -0.18 -1.91 -0.00 0.00 -0.42 0.00 0.00 57.16 54.64 2k8q n GLU 88 Cb 0.57 -1.14 -0.01 0.00 -0.57 0.00 0.00 31.44 30.28 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2k8q n ASP 89 N -0.88 4.72 0.32 1.62 9.92 -1.26 -4.62 116.55 126.38 2k8q n ASP 89 Ca 0.08 0.00 0.20 0.00 -0.53 0.00 0.00 54.79 54.55 2k8q n ASP 89 Cb 0.55 0.60 1.10 0.00 -0.64 0.00 0.00 41.12 42.73 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 -1.95 0.64 3.38 -1.93 -0.44 115.31 115.01 2k8q h LEU 90 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2k8q h LEU 90 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2k8q h LEU 90 CO 0.00 0.00 -0.10 -0.78 0.09 0.00 0.00 178.44 177.65 2k8q h ASP 91 N 0.00 0.00 -3.35 -0.43 3.58 -1.89 -3.40 116.42 110.93 2k8q h ASP 91 Ca 0.01 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.79 2k8q h ASP 91 Cb 0.12 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 40.87 2k8q h ASP 91 CO -0.00 0.10 -0.76 -0.76 -2.88 0.00 0.00 179.24 174.94 2k8q s LEU 92 N -8.00 2.81 0.00 2.28 2.01 -0.17 -4.98 118.68 112.63 2k8q s LEU 92 Ca -0.04 -0.60 0.14 0.00 0.01 0.00 0.00 54.13 53.65 2k8q s LEU 92 Cb 0.15 -1.66 0.69 0.00 0.01 0.00 0.00 46.19 45.38 2k8q s LEU 92 CO 0.62 -0.05 1.42 -0.81 1.01 0.00 0.00 176.35 178.55 2k8q n PRO 93 N 4.72 0.12 -0.04 1.29 -0.04 -1.26 -2.66 135.00 137.13 2k8q n PRO 93 Ca -0.18 0.19 -0.16 0.00 -0.04 0.00 0.00 63.50 63.31 2k8q n PRO 93 Cb 0.49 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.63 -0.27 0.52 -2.24 -1.26 -3.98 114.28 107.30 2k8q n THR 94 Ca 0.06 -0.70 0.20 0.00 -2.27 0.00 0.00 64.05 61.33 2k8q n THR 94 Cb 0.14 -1.33 0.51 0.00 -2.10 0.00 0.00 70.33 67.55 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 0.03 0.40 -0.10 -0.78 1.79 -1.79 0.25 116.57 116.37 2k8q h LYS 95 Ca -0.44 -0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 57.84 2k8q h LYS 95 Cb 2.03 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 32.60 2k8q h LYS 95 CO 0.04 0.27 -0.57 -0.07 -1.08 0.00 0.00 179.45 178.04 2k8q h LEU 96 N 0.41 0.68 -0.01 2.94 -0.00 -1.73 -3.31 115.31 114.29 2k8q h LEU 96 Ca 0.51 -0.65 -0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2k8q h LEU 96 Cb 1.26 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2k8q h LEU 96 CO -0.21 1.22 0.00 -0.07 -0.00 0.00 0.00 178.44 179.38 2k8q h LEU 97 N 0.19 0.02 -1.29 1.67 -0.00 -1.14 -3.28 115.31 111.47 2k8q h LEU 97 Ca -0.04 -0.25 -0.48 0.00 -0.00 0.00 0.00 57.88 57.11 2k8q h LEU 97 Cb 1.21 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.82 2k8q h LEU 97 CO 0.12 0.26 -0.80 0.00 -0.00 0.00 0.00 178.44 178.02 2k8q n ALA 98 N -2.22 -1.53 -2.66 1.53 0.00 0.70 -4.94 120.51 111.39 2k8q n ALA 98 Ca -0.07 0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 2k8q n ALA 98 Cb 0.14 -3.42 -0.08 0.00 0.00 0.00 0.00 19.45 16.10 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 -6.52 4.13 -0.33 0.00 0.52 -1.26 -5.06 118.95 110.44 2k8q s ARG 99 Ca 0.45 0.11 -0.10 0.00 -0.52 0.00 0.00 55.73 55.67 2k8q s ARG 99 Cb -0.23 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.69 2k8q s ARG 99 CO 0.85 -0.06 0.17 -0.65 0.02 0.00 0.00 175.30 175.62 2k8q s GLN 100 N 1.40 3.21 0.00 3.54 -0.21 -1.26 -4.98 119.66 121.36 2k8q s GLN 100 Ca 0.17 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.74 2k8q s GLN 100 Cb -0.15 -3.61 0.00 0.00 1.00 0.00 0.00 33.01 30.25 2k8q s GLN 100 CO 0.08 -0.49 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 2k8q n GLY 101 N 4.99 2.83 3.52 3.09 0.00 -1.26 -4.99 105.19 113.37 2k8q n GLY 101 Ca -0.13 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 2k8q n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k8q s ASP 102 N 0.00 6.30 -0.17 1.61 2.15 -1.26 -4.88 116.67 120.42 2k8q s ASP 102 Ca 0.00 -0.35 0.10 0.00 0.43 0.00 0.00 52.55 52.73 2k8q s ASP 102 Cb 0.00 -2.29 -0.18 0.00 -0.30 0.00 0.00 42.92 40.16 2k8q s ASP 102 CO 0.00 -0.68 -0.02 -0.11 -0.17 0.00 0.00 175.17 174.20 2k8q n LEU 103 N 6.01 0.91 -4.69 -1.34 7.94 -1.26 -4.94 117.00 119.63 2k8q n LEU 103 Ca -0.03 -0.03 -0.36 0.00 -1.11 0.00 0.00 56.01 54.48 2k8q n LEU 103 Cb 0.48 0.05 -0.09 0.00 0.53 0.00 0.00 43.42 44.39 2k8q n LEU 103 CO 0.50 0.53 -0.19 0.00 -1.11 0.00 0.00 177.39 177.12 2k8q s ALA 104 N -2.39 3.63 0.31 1.96 0.00 -1.26 -5.09 121.76 118.91 2k8q s ALA 104 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2k8q s ALA 104 Cb 0.05 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.97 2k8q s ALA 104 CO 0.59 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.78 2k8q n GLY 105 N 3.83 -0.96 1.70 0.00 0.00 -1.26 -4.90 105.19 103.59 2k8q n GLY 105 Ca -0.16 -1.17 -0.07 0.00 0.00 0.00 0.00 46.02 44.62 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 4.49 -2.05 4.61 0.00 -1.26 -4.98 120.51 118.32 2k8q n ALA 106 Ca 0.00 -2.63 -0.38 0.00 0.00 0.00 0.00 53.44 50.43 2k8q n ALA 106 Cb 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.55 7.23 0.37 0.00 1.01 -1.26 -5.06 116.67 117.40 2k8q s ASP 107 Ca 0.51 1.53 -0.15 0.00 0.71 0.00 0.00 52.55 55.15 2k8q s ASP 107 Cb 0.43 -2.46 0.04 0.00 1.01 0.00 0.00 42.92 41.94 2k8q s ASP 107 CO 0.09 0.14 0.74 0.00 0.21 0.00 0.00 175.17 176.36 2k8q s ALA 108 N -1.30 -0.63 0.35 5.23 0.00 -1.26 -5.16 121.76 118.99 2k8q s ALA 108 Ca 0.38 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.65 2k8q s ALA 108 Cb -0.20 0.75 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 2k8q s ALA 108 CO 0.23 -0.97 0.03 -0.48 0.00 0.00 0.00 175.76 174.57 2k8q s LEU 109 N -3.07 2.98 -0.27 0.00 2.34 -1.26 -5.13 118.68 114.27 2k8q s LEU 109 Ca 0.17 -1.04 -0.01 0.00 0.06 0.00 0.00 54.13 53.31 2k8q s LEU 109 Cb -0.05 -1.32 0.14 0.00 -0.56 0.00 0.00 46.19 44.40 2k8q s LEU 109 CO 0.12 -0.29 0.34 -0.89 -1.06 0.00 0.00 176.35 174.56 2k8q s THR 110 N -2.55 -0.50 0.33 5.48 2.01 -1.26 -5.14 115.64 114.02 2k8q s THR 110 Ca 0.36 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 2k8q s THR 110 Cb 0.01 -0.92 -0.12 0.00 0.01 0.00 0.00 72.50 71.48 2k8q s THR 110 CO 0.20 -0.33 1.45 1.21 -0.69 0.00 0.00 174.62 176.46 2k8q n GLU 111 N 5.33 2.44 -4.02 4.92 2.13 -1.26 -5.00 120.64 125.18 2k8q n GLU 111 Ca -0.02 0.86 -0.27 0.00 0.66 0.00 0.00 57.16 58.39 2k8q n GLU 111 Cb 0.48 -2.55 -0.05 0.00 0.27 0.00 0.00 31.44 29.59 2k8q n GLU 111 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2k8q s ASN 112 N 0.05 5.81 0.32 4.31 3.04 -1.26 -5.13 114.94 122.08 2k8q s ASN 112 Ca 0.59 0.01 0.10 0.00 0.04 0.00 0.00 52.86 53.60 2k8q s ASN 112 Cb -0.53 -1.62 -0.06 0.00 -1.54 0.00 0.00 41.25 37.50 2k8q s ASN 112 CO 0.57 0.09 -0.13 0.28 -3.04 0.00 0.00 177.10 174.88 2k8q s THR 113 N -1.66 2.30 -0.01 -5.21 -1.32 -1.26 -5.09 115.64 103.40 2k8q s THR 113 Ca 0.32 -2.27 -0.30 0.00 -1.21 0.00 0.00 61.69 58.23 2k8q s THR 113 Cb -0.11 -2.52 -0.07 0.00 -1.51 0.00 0.00 72.50 68.29 2k8q s THR 113 CO 0.25 -0.27 1.66 -0.62 -2.21 0.00 0.00 174.62 173.43 2k8q s ASP 114 N -3.57 6.64 -0.09 8.08 -1.08 -1.26 -4.99 116.67 120.41 2k8q s ASP 114 Ca 0.32 2.34 -0.09 0.00 -0.52 0.00 0.00 52.55 54.59 2k8q s ASP 114 Cb -0.00 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.94 2k8q s ASP 114 CO 0.16 -0.91 0.25 0.00 0.52 0.00 0.00 175.17 175.19 2k8q s ALA 115 N 3.55 -0.63 -0.03 3.66 0.00 -1.26 -5.17 121.76 121.89 2k8q s ALA 115 Ca 0.74 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 2k8q s ALA 115 Cb -0.36 -0.36 0.11 0.00 0.00 0.00 0.00 23.12 22.51 2k8q s ALA 115 CO 0.31 -0.14 0.92 -1.59 0.00 0.00 0.00 175.76 175.26 2k8q s LYS 116 N -0.04 0.77 0.09 0.00 0.00 -1.26 -5.18 119.74 114.11 2k8q s LYS 116 Ca -0.02 -0.26 0.04 0.00 0.00 0.00 0.00 55.97 55.73 2k8q s LYS 116 Cb -0.02 0.35 -0.03 0.00 0.00 0.00 0.00 37.83 38.13 2k8q s LYS 116 CO 0.01 -0.33 -0.11 0.21 0.00 0.00 0.00 175.35 175.12 2k8q s LYS 117 N -2.96 0.83 0.16 1.78 2.20 -1.26 -5.15 119.74 115.34 2k8q s LYS 117 Ca 0.05 -1.07 -0.19 0.00 -0.36 0.00 0.00 55.97 54.39 2k8q s LYS 117 Cb -0.01 -0.63 -0.08 0.00 -1.51 0.00 0.00 37.83 35.60 2k8q s LYS 117 CO -0.08 0.12 0.66 0.95 -0.36 0.00 0.00 175.35 176.64 2k8q s THR 118 N -1.98 4.63 -0.29 3.43 -4.23 -1.26 -5.06 115.64 110.88 2k8q s THR 118 Ca 0.02 1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 61.76 2k8q s THR 118 Cb -0.06 -3.89 0.10 0.00 1.34 0.00 0.00 72.50 69.99 2k8q s THR 118 CO 0.01 0.35 0.10 -1.10 -0.54 0.00 0.00 174.62 173.44 2k8q s GLN 119 N -1.63 0.54 -0.63 3.99 -0.21 -1.26 -5.04 119.66 115.41 2k8q s GLN 119 Ca 0.37 -0.84 0.06 0.00 0.02 0.00 0.00 55.36 54.98 2k8q s GLN 119 Cb -0.18 -1.74 0.25 0.00 1.00 0.00 0.00 33.01 32.34 2k8q s GLN 119 CO 0.21 -0.96 0.74 1.17 -2.12 0.00 0.00 175.29 174.33 2k8q n LYS 120 N 5.00 2.50 -1.07 2.91 3.00 -1.26 -5.09 118.16 124.14 2k8q n LYS 120 Ca -0.04 -4.65 -0.30 0.00 -0.00 0.00 0.00 58.31 53.32 2k8q n LYS 120 Cb 0.43 -2.24 0.25 0.00 0.00 0.00 0.00 35.03 33.47 2k8q n LYS 120 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2k8q s PRO 121 N -2.46 -1.43 -0.25 1.64 0.04 -1.26 -5.10 135.00 126.19 2k8q s PRO 121 Ca 0.40 -0.14 -0.28 0.00 0.04 0.00 0.00 61.00 61.03 2k8q s PRO 121 Cb 0.15 -1.58 0.15 0.00 0.04 0.00 0.00 34.50 33.27 2k8q s PRO 121 CO -0.01 -3.83 1.19 -0.48 0.04 0.00 0.00 177.00 173.90 2k8q s LEU 122 N -7.00 -0.24 -0.16 -3.56 2.34 -1.26 -5.16 118.68 103.64 2k8q s LEU 122 Ca 0.72 0.37 -0.01 0.00 0.06 0.00 0.00 54.13 55.26 2k8q s LEU 122 Cb -0.09 1.52 -0.01 0.00 -0.56 0.00 0.00 46.19 47.06 2k8q s LEU 122 CO 0.56 -0.15 -0.12 -0.63 -1.06 0.00 0.00 176.35 174.95 2k8q s ILE 123 N -0.51 2.99 0.09 1.48 1.01 -1.26 -5.12 121.20 119.88 2k8q s ILE 123 Ca 0.04 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.12 2k8q s ILE 123 Cb -0.03 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 2k8q s ILE 123 CO -0.06 0.50 -0.20 -1.58 0.00 0.00 0.00 174.94 173.60 2k8q s GLN 124 N 0.75 1.80 0.03 2.79 -0.44 -1.26 -5.13 119.66 118.20 2k8q s GLN 124 Ca -0.05 -1.15 -0.27 0.00 -2.50 0.00 0.00 55.36 51.39 2k8q s GLN 124 Cb -0.15 -2.09 0.08 0.00 -1.64 0.00 0.00 33.01 29.21 2k8q s GLN 124 CO 0.01 0.49 0.71 -2.00 0.50 0.00 0.00 175.29 175.00 2k8q s GLU 125 N -1.86 1.07 -0.04 1.67 2.12 -1.26 -5.18 118.70 115.23 2k8q s GLU 125 Ca 0.16 -0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.32 2k8q s GLU 125 Cb -0.10 0.50 0.01 0.00 0.26 0.00 0.00 34.13 34.79 2k8q s GLU 125 CO 0.07 -0.41 0.10 0.54 -0.54 0.00 0.00 175.26 175.02 2k8q s VAL 126 N -2.51 0.01 0.69 3.70 0.11 -1.26 -5.16 120.40 115.98 2k8q s VAL 126 Ca -0.03 -0.06 -0.10 0.00 -2.93 0.00 0.00 61.98 58.86 2k8q s VAL 126 Cb -0.01 -0.17 0.02 0.00 -1.53 0.00 0.00 36.38 34.69 2k8q s VAL 126 CO -0.03 -0.03 1.06 -0.70 -3.33 0.00 0.00 175.10 172.07 2k8q s GLU 127 N -0.06 2.76 0.04 1.54 2.12 -1.26 -5.10 118.70 118.73 2k8q s GLU 127 Ca -0.01 0.30 -0.04 0.00 0.36 0.00 0.00 54.97 55.58 2k8q s GLU 127 Cb -0.01 -2.07 -0.02 0.00 0.26 0.00 0.00 34.13 32.29 2k8q s GLU 127 CO 0.00 -1.03 0.06 -0.08 -0.54 0.00 0.00 175.26 173.67 2k8q s THR 128 N -3.30 0.14 0.22 -1.70 -1.32 -1.26 -5.17 115.64 103.25 2k8q s THR 128 Ca 0.58 -1.19 -0.23 0.00 -1.21 0.00 0.00 61.69 59.65 2k8q s THR 128 Cb -0.11 -0.92 0.05 0.00 -1.51 0.00 0.00 72.50 70.02 2k8q s THR 128 CO 0.50 -0.65 0.89 1.51 -2.21 0.00 0.00 174.62 174.65 2k8q s ASP 129 N -2.18 -0.16 -0.33 8.08 -4.77 -1.26 -5.14 116.67 110.91 2k8q s ASP 129 Ca -0.04 -0.57 -0.08 0.00 -3.30 0.00 0.00 52.55 48.55 2k8q s ASP 129 Cb -0.01 0.59 0.19 0.00 -1.09 0.00 0.00 42.92 42.61 2k8q s ASP 129 CO -0.05 -1.12 1.03 -0.83 0.70 0.00 0.00 175.17 174.91 2k8q s GLY 130 N -3.01 -1.57 -0.49 2.12 0.00 -1.26 -5.12 107.32 97.99 2k8q s GLY 130 Ca 0.13 1.16 -0.25 0.00 0.00 0.00 0.00 44.72 45.77 2k8q s GLY 130 CO 0.05 4.28 0.93 0.14 0.00 0.00 0.00 173.10 178.50 2k8q s VAL 131 N 1.86 4.44 -0.05 1.40 1.01 -1.26 -5.02 120.40 122.78 2k8q s VAL 131 Ca 0.15 0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.78 2k8q s VAL 131 Cb 0.04 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2k8q s VAL 131 CO -0.14 -0.93 -0.24 -0.55 0.00 0.00 0.00 175.10 173.24 2k8q s SER 132 N 2.46 3.22 0.25 3.32 0.15 -1.26 -5.02 113.70 116.82 2k8q s SER 132 Ca 0.35 -0.45 0.06 0.00 0.70 0.00 0.00 55.95 56.61 2k8q s SER 132 Cb -0.11 -0.71 0.30 0.00 -1.71 0.00 0.00 66.02 63.79 2k8q s SER 132 CO 0.24 0.28 1.59 -0.55 1.20 0.00 0.00 173.24 176.00 2k8q h ASN 133 N 5.81 0.21 0.00 5.45 7.08 -2.10 -3.58 115.58 128.46 2k8q h ASN 133 Ca -0.37 -0.12 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 2k8q h ASN 133 Cb 1.16 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 37.34 2k8q h ASN 133 CO 0.48 0.75 0.00 -3.20 -2.08 0.00 0.00 177.43 173.37