#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 0.58 0.00 -0.61 1.01 0.85 -4.96 121.20 118.06 2k8q s ILE 2 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2k8q s ILE 2 Cb 0.00 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.80 2k8q s ILE 2 CO 0.00 0.28 0.00 1.07 0.00 0.00 0.00 174.94 176.29 2k8q n THR 3 N 4.84 0.00 -0.02 2.92 5.66 -1.26 -4.14 114.28 122.28 2k8q n THR 3 Ca -0.12 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.75 2k8q n THR 3 Cb 0.50 0.00 -0.09 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 -2.24 1.09 0.13 -1.93 -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 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2k8q h PRO 4 CO 0.00 0.53 0.02 1.03 -0.23 0.00 0.00 178.00 179.35 2k8q s ARG 5 N -4.25 0.75 -0.23 0.86 3.00 -1.25 -4.99 118.95 112.83 2k8q s ARG 5 Ca -0.16 0.79 -0.16 0.00 0.00 0.00 0.00 55.73 56.20 2k8q s ARG 5 Cb 0.02 0.36 0.07 0.00 0.00 0.00 0.00 34.95 35.40 2k8q s ARG 5 CO 0.69 -0.11 0.59 -0.59 0.00 0.00 0.00 175.30 175.88 2k8q s PHE 6 N 0.17 -0.80 0.02 -0.53 -0.71 -1.26 -0.25 117.98 114.62 2k8q s PHE 6 Ca -0.01 1.73 0.07 0.00 -1.04 0.00 0.00 56.93 57.67 2k8q s PHE 6 Cb -0.04 0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2k8q s PHE 6 CO 0.02 -0.40 -0.20 -1.12 -1.34 0.00 0.00 175.22 172.17 2k8q s SER 7 N 1.09 2.37 -0.02 1.98 0.01 0.11 -4.98 113.70 114.27 2k8q s SER 7 Ca -0.06 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 56.77 2k8q s SER 7 Cb -0.06 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 2k8q s SER 7 CO -0.10 0.18 -0.10 -0.63 0.41 0.00 0.00 173.24 173.00 2k8q s ILE 8 N -0.68 3.43 0.05 1.44 1.01 -1.26 0.04 121.20 125.23 2k8q s ILE 8 Ca 0.07 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.03 2k8q s ILE 8 Cb -0.08 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 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 -0.89 1.33 0.01 2.92 2.01 0.93 -4.77 115.64 117.19 2k8q s THR 9 Ca 0.15 -1.15 0.04 0.00 0.31 0.00 0.00 61.69 61.04 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 0.04 0.03 -0.10 0.00 -0.69 0.00 0.00 174.62 173.90 2k8q s GLN 10 N -1.30 2.42 0.40 4.92 0.00 -1.26 -0.47 119.66 124.37 2k8q s GLN 10 Ca 0.03 -0.79 0.04 0.00 -0.00 0.00 0.00 55.36 54.64 2k8q s GLN 10 Cb -0.09 -2.41 -0.03 0.00 0.00 0.00 0.00 33.01 30.49 2k8q s GLN 10 CO 0.02 0.59 0.12 -0.51 0.00 0.00 0.00 175.29 175.51 2k8q s ASP 11 N -1.41 2.77 -0.10 12.60 1.01 -0.67 -4.91 116.67 125.97 2k8q s ASP 11 Ca 0.16 -1.66 0.11 0.00 0.71 0.00 0.00 52.55 51.88 2k8q s ASP 11 Cb -0.11 0.47 0.48 0.00 1.01 0.00 0.00 42.92 44.77 2k8q s ASP 11 CO 0.07 -0.91 1.31 -1.84 0.21 0.00 0.00 175.17 174.00 2k8q n GLU 12 N -0.90 2.96 0.00 8.23 0.28 -1.26 -4.26 120.64 125.69 2k8q n GLU 12 Ca -0.06 -1.87 0.00 0.00 -0.16 0.00 0.00 57.16 55.07 2k8q n GLU 12 Cb 0.65 -1.76 0.00 0.00 1.43 0.00 0.00 31.44 31.76 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 0.57 0.00 -3.17 3.44 0.28 -1.26 -2.69 120.64 117.81 2k8q n GLU 13 Ca 0.17 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.09 2k8q n GLU 13 Cb 0.68 -0.38 0.00 0.00 1.43 0.00 0.00 31.44 33.17 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 -1.60 -1.70 -4.21 -1.84 -1.74 -1.26 -4.14 117.46 100.97 2k8q n PHE 14 Ca 0.00 -1.52 -0.35 0.00 -0.56 0.00 0.00 57.45 55.02 2k8q n PHE 14 Cb 0.00 0.58 -0.08 0.00 1.52 0.00 0.00 39.48 41.50 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 -2.49 4.65 -0.43 1.97 -1.09 -0.07 -1.67 121.20 122.07 2k8q s ILE 15 Ca 0.16 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.43 2k8q s ILE 15 Cb -0.03 -3.01 0.11 0.00 -1.58 0.00 0.00 42.46 37.96 2k8q s ILE 15 CO 0.11 0.55 0.15 0.12 -1.23 0.00 0.00 174.94 174.65 2k8q s PHE 16 N -0.98 3.50 -0.24 3.97 5.36 0.38 -2.38 117.98 127.59 2k8q s PHE 16 Ca 0.16 -3.07 -0.13 0.00 -0.96 0.00 0.00 56.93 52.93 2k8q s PHE 16 Cb -0.12 -2.89 -0.04 0.00 -0.34 0.00 0.00 43.02 39.63 2k8q s PHE 16 CO 0.05 -0.86 0.29 -1.17 -1.46 0.00 0.00 175.22 172.07 2k8q s LEU 17 N 0.35 4.09 -0.05 6.12 1.98 -0.32 -0.05 118.68 130.81 2k8q s LEU 17 Ca 0.14 0.25 0.01 0.00 -2.89 0.00 0.00 54.13 51.64 2k8q s LEU 17 Cb -0.22 -2.31 -0.03 0.00 0.66 0.00 0.00 46.19 44.29 2k8q s LEU 17 CO -0.04 -0.06 -0.05 -1.59 -1.89 0.00 0.00 176.35 172.72 2k8q s LYS 18 N 1.51 2.74 -0.18 1.98 -2.85 0.11 0.07 119.74 123.11 2k8q s LYS 18 Ca 0.13 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 2k8q s LYS 18 Cb -0.15 -2.60 0.04 0.00 -2.06 0.00 0.00 37.83 33.05 2k8q s LYS 18 CO 0.08 0.65 -0.11 0.42 0.10 0.00 0.00 175.35 176.49 2k8q s ILE 19 N -0.89 1.53 -0.10 3.79 1.09 0.15 -0.71 121.20 126.05 2k8q s ILE 19 Ca 0.14 -0.83 -0.30 0.00 -1.10 0.00 0.00 60.65 58.57 2k8q s ILE 19 Cb -0.11 -1.57 -0.02 0.00 -1.06 0.00 0.00 42.46 39.70 2k8q s ILE 19 CO 0.04 0.25 1.16 -0.36 -0.10 0.00 0.00 174.94 175.93 2k8q s PHE 20 N 1.46 3.20 0.24 3.97 0.08 0.66 -1.39 117.98 126.20 2k8q s PHE 20 Ca 0.01 1.27 -0.09 0.00 0.12 0.00 0.00 56.93 58.24 2k8q s PHE 20 Cb -0.15 -3.38 -0.01 0.00 -0.57 0.00 0.00 43.02 38.91 2k8q s PHE 20 CO -0.09 -1.10 0.38 0.96 -0.10 0.00 0.00 175.22 175.28 2k8q s ILE 21 N 2.50 0.00 0.00 0.64 -4.36 -1.17 -3.94 121.20 114.87 2k8q s ILE 21 Ca 0.53 -1.58 0.00 0.00 -0.26 0.00 0.00 60.65 59.34 2k8q s ILE 21 Cb -0.22 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.17 2k8q s ILE 21 CO 0.18 0.00 0.00 -1.20 0.24 0.00 0.00 174.94 174.16 2k8q n SER 22 N -0.43 0.00 -1.35 4.36 7.64 -1.26 -4.47 113.62 118.11 2k8q n SER 22 Ca -0.00 -0.88 0.05 0.00 1.01 0.00 0.00 58.87 59.05 2k8q n SER 22 Cb 0.63 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 64.09 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 -2.63 3.91 -3.17 6.43 3.02 -1.26 -4.95 115.26 116.61 2k8q n ASN 23 Ca 0.00 -2.54 -0.16 0.00 -0.03 0.00 0.00 54.58 51.85 2k8q n ASN 23 Cb 0.00 -0.59 0.16 0.00 -0.61 0.00 0.00 39.78 38.74 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 0.46 0.00 -1.48 2.41 -6.64 -1.26 -4.67 119.36 108.19 2k8q n ILE 24 Ca 0.18 0.00 -0.45 0.00 -1.77 0.00 0.00 62.75 60.71 2k8q n ILE 24 Cb 0.81 -0.53 -0.09 0.00 -1.44 0.00 0.00 39.64 38.40 2k8q n ILE 24 CO 0.00 0.00 0.00 -2.11 -1.77 0.00 0.00 176.55 172.67 2k8q n ARG 25 N -3.61 0.69 -3.91 6.28 1.85 -1.26 -4.87 116.66 111.84 2k8q n ARG 25 Ca 0.07 0.11 -0.30 0.00 -1.00 0.00 0.00 57.85 56.73 2k8q n ARG 25 Cb 0.32 -2.39 -0.13 0.00 -1.05 0.00 0.00 32.46 29.21 2k8q n ARG 25 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 2k8q s PHE 26 N 9.05 3.33 0.69 2.89 5.36 -1.26 -4.79 117.98 133.24 2k8q s PHE 26 Ca 1.15 -3.19 -0.12 0.00 -0.96 0.00 0.00 56.93 53.81 2k8q s PHE 26 Cb -0.83 -2.83 0.01 0.00 -0.34 0.00 0.00 43.02 39.03 2k8q s PHE 26 CO 0.44 -0.69 1.07 -1.54 -1.46 0.00 0.00 175.22 173.04 2k8q s SER 27 N -0.55 5.25 -0.16 6.13 1.04 -1.26 -4.98 113.70 119.17 2k8q s SER 27 Ca 0.19 1.75 0.17 0.00 0.48 0.00 0.00 55.95 58.54 2k8q s SER 27 Cb -0.19 -2.52 0.41 0.00 0.10 0.00 0.00 66.02 63.83 2k8q s SER 27 CO -0.05 -1.53 1.29 0.00 0.98 0.00 0.00 173.24 173.93 2k8q n ALA 28 N -2.89 2.72 -0.05 5.32 0.00 -1.26 -4.45 120.51 119.90 2k8q n ALA 28 Ca 0.08 -2.52 -0.04 0.00 0.00 0.00 0.00 53.44 50.96 2k8q n ALA 28 Cb 0.53 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.99 0.67 0.53 0.00 0.24 -1.26 -4.57 118.33 112.95 2k8q n VAL 29 Ca 0.19 -0.43 0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2k8q n VAL 29 Cb 0.78 -0.66 0.04 0.00 -1.47 0.00 0.00 33.84 32.53 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 2.32 -1.25 3.64 7.63 0.00 -1.26 -4.89 105.19 111.38 2k8q n GLY 30 Ca -0.16 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.07 4.15 -0.36 0.99 1.43 -1.26 -4.60 118.68 114.95 2k8q s LEU 31 Ca 0.04 2.29 -0.06 0.00 -1.03 0.00 0.00 54.13 55.37 2k8q s LEU 31 Cb 0.14 -3.53 0.20 0.00 0.03 0.00 0.00 46.19 43.04 2k8q s LEU 31 CO 0.79 -1.23 1.04 -0.70 0.23 0.00 0.00 176.35 176.47 2k8q s GLU 32 N 4.78 0.31 0.07 1.70 2.56 -1.26 -4.99 118.70 121.87 2k8q s GLU 32 Ca 0.85 -0.26 -0.30 0.00 0.00 0.00 0.00 54.97 55.26 2k8q s GLU 32 Cb -0.36 -0.00 -0.05 0.00 2.00 0.00 0.00 34.13 35.71 2k8q s GLU 32 CO 0.36 -0.39 1.07 0.42 -0.56 0.00 0.00 175.26 176.16 2k8q s ILE 33 N 1.23 4.35 -0.01 -3.70 1.01 -1.26 -4.49 121.20 118.33 2k8q s ILE 33 Ca 0.22 1.79 0.06 0.00 0.00 0.00 0.00 60.65 62.72 2k8q s ILE 33 Cb 0.09 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2k8q s ILE 33 CO -0.11 0.20 -0.19 -0.51 0.00 0.00 0.00 174.94 174.33 2k8q s ILE 34 N 0.60 1.51 -0.19 2.92 -1.16 -1.02 -5.00 121.20 118.85 2k8q s ILE 34 Ca 0.53 -0.83 -0.09 0.00 -0.51 0.00 0.00 60.65 59.75 2k8q s ILE 34 Cb -0.26 -1.26 -0.04 0.00 0.61 0.00 0.00 42.46 41.51 2k8q s ILE 34 CO 0.30 0.42 0.09 -0.63 -2.81 0.00 0.00 174.94 172.31 2k8q s ILE 35 N -0.46 5.03 0.00 2.00 1.09 -1.26 -0.76 121.20 126.84 2k8q s ILE 35 Ca 0.07 0.05 0.00 0.00 -1.10 0.00 0.00 60.65 59.68 2k8q s ILE 35 Cb -0.07 -3.29 0.00 0.00 -1.06 0.00 0.00 42.46 38.04 2k8q s ILE 35 CO -0.01 0.44 0.00 1.67 -0.10 0.00 0.00 174.94 176.95 2k8q n GLN 36 N 3.61 -0.67 -0.25 2.79 0.00 0.10 -4.62 117.38 118.35 2k8q n GLN 36 Ca -0.16 0.00 0.12 0.00 -0.00 0.00 0.00 57.00 56.96 2k8q n GLN 36 Cb 0.52 0.00 0.40 0.00 0.00 0.00 0.00 30.24 31.16 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 0.63 0.00 3.69 4.11 -1.99 -3.39 114.58 117.63 2k8q h GLU 37 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2k8q h GLU 37 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2k8q h GLU 37 CO 0.00 0.42 -0.15 0.27 0.07 0.00 0.00 179.01 179.62 2k8q n ASN 38 N -4.54 0.01 -4.56 3.06 6.94 -1.26 -4.09 115.26 110.83 2k8q n ASN 38 Ca 0.16 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.43 2k8q n ASN 38 Cb 0.46 0.00 0.15 0.00 -2.36 0.00 0.00 39.78 38.03 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 -1.98 0.95 -0.05 -3.83 0.23 -1.26 -2.40 119.30 110.95 2k8q s MET 39 Ca 0.00 0.05 0.06 0.00 -1.03 0.00 0.00 55.69 54.78 2k8q s MET 39 Cb 0.00 -1.84 -0.01 0.00 -1.53 0.00 0.00 34.83 31.45 2k8q s MET 39 CO 0.00 -2.28 -0.25 0.42 -2.03 0.00 0.00 175.02 170.88 2k8q s ILE 40 N -3.45 2.02 -0.24 3.16 1.01 -0.25 0.03 121.20 123.48 2k8q s ILE 40 Ca 0.66 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 2k8q s ILE 40 Cb -0.11 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 2k8q s ILE 40 CO 0.53 0.56 0.03 -0.63 0.00 0.00 0.00 174.94 175.43 2k8q s ILE 41 N -0.26 3.99 -0.53 2.92 -1.09 0.06 -1.59 121.20 124.70 2k8q s ILE 41 Ca -0.01 -0.28 -0.17 0.00 -2.23 0.00 0.00 60.65 57.96 2k8q s ILE 41 Cb -0.13 -2.85 0.10 0.00 -1.58 0.00 0.00 42.46 38.00 2k8q s ILE 41 CO 0.03 0.37 0.54 0.12 -1.23 0.00 0.00 174.94 174.77 2k8q s PHE 42 N 1.53 3.16 -0.13 3.97 5.36 0.21 -2.44 117.98 129.64 2k8q s PHE 42 Ca 0.06 -1.01 0.22 0.00 -0.96 0.00 0.00 56.93 55.24 2k8q s PHE 42 Cb -0.15 -3.65 -0.32 0.00 -0.34 0.00 0.00 43.02 38.56 2k8q s PHE 42 CO 0.01 -1.03 0.54 1.58 -1.46 0.00 0.00 175.22 174.86 2k8q n HIS 43 N 5.63 0.03 -1.10 10.12 -0.00 -1.26 -1.41 115.22 127.24 2k8q n HIS 43 Ca -0.11 0.01 -0.35 0.00 0.46 0.00 0.00 57.72 57.72 2k8q n HIS 43 Cb 0.42 -0.46 0.09 0.00 -0.12 0.00 0.00 29.99 29.92 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 -2.20 0.65 -1.24 0.27 0.00 -1.26 -4.73 117.00 108.49 2k8q n LEU 44 Ca -0.03 0.50 0.16 0.00 0.00 0.00 0.00 56.01 56.63 2k8q n LEU 44 Cb 0.55 -1.23 -0.07 0.00 0.00 0.00 0.00 43.42 42.67 2k8q n LEU 44 CO 0.46 -3.22 -0.45 -1.54 0.00 0.00 0.00 177.39 172.63 2k8q n SER 45 N -0.77 -7.22 0.00 1.96 3.41 -1.26 -4.19 113.62 105.55 2k8q n SER 45 Ca 0.09 1.03 0.07 0.00 -0.26 0.00 0.00 58.87 59.80 2k8q n SER 45 Cb 0.51 -4.12 0.38 0.00 -0.26 0.00 0.00 64.21 60.71 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 -4.05 0.23 -4.47 4.33 -0.04 -1.26 -4.62 135.00 125.12 2k8q n PRO 46 Ca -0.05 0.14 -0.34 0.00 -0.04 0.00 0.00 63.50 63.21 2k8q n PRO 46 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.53 2.95 -0.15 0.54 2.02 -1.26 -5.10 117.35 113.82 2k8q s TYR 47 Ca 0.15 -0.46 -0.16 0.00 -0.37 0.00 0.00 57.07 56.22 2k8q s TYR 47 Cb 0.10 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2k8q s TYR 47 CO 0.22 -0.14 0.38 -0.47 -1.57 0.00 0.00 175.55 173.97 2k8q s TYR 48 N 0.47 3.47 0.05 2.71 6.14 -1.26 -4.65 117.35 124.27 2k8q s TYR 48 Ca -0.05 0.71 0.06 0.00 0.64 0.00 0.00 57.07 58.42 2k8q s TYR 48 Cb -0.15 -2.45 -0.02 0.00 0.42 0.00 0.00 41.96 39.76 2k8q s TYR 48 CO 0.03 0.17 -0.16 -1.17 0.64 0.00 0.00 175.55 175.07 2k8q s LEU 49 N 0.65 2.18 -0.07 6.97 2.96 -0.50 -0.11 118.68 130.77 2k8q s LEU 49 Ca 0.20 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 2k8q s LEU 49 Cb -0.14 -0.70 -0.00 0.00 0.50 0.00 0.00 46.19 45.85 2k8q s LEU 49 CO 0.07 0.06 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.33 2k8q s ARG 50 N -1.22 2.53 -0.15 1.98 3.52 -1.26 -0.62 118.95 123.72 2k8q s ARG 50 Ca 0.03 -0.80 0.01 0.00 -0.13 0.00 0.00 55.73 54.85 2k8q s ARG 50 Cb -0.08 -2.04 0.02 0.00 -1.56 0.00 0.00 34.95 31.29 2k8q s ARG 50 CO 0.02 0.25 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.06 2k8q s LEU 51 N 0.14 1.96 -0.31 -0.88 1.43 -0.62 -4.34 118.68 116.06 2k8q s LEU 51 Ca -0.11 -0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 52.43 2k8q s LEU 51 Cb -0.15 -1.34 0.06 0.00 0.03 0.00 0.00 46.19 44.79 2k8q s LEU 51 CO 0.05 0.01 -0.00 -0.60 0.23 0.00 0.00 176.35 176.05 2k8q s ARG 52 N 1.14 2.26 0.24 1.70 3.52 -1.25 -1.08 118.95 125.47 2k8q s ARG 52 Ca -0.01 -1.40 -0.01 0.00 -0.13 0.00 0.00 55.73 54.19 2k8q s ARG 52 Cb -0.14 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 2k8q s ARG 52 CO -0.07 -0.68 0.44 -0.06 -0.81 0.00 0.00 175.30 174.11 2k8q s PHE 53 N 1.17 3.48 -1.27 5.12 0.08 -1.26 -4.38 117.98 120.93 2k8q s PHE 53 Ca -0.03 0.35 0.15 0.00 0.12 0.00 0.00 56.93 57.51 2k8q s PHE 53 Cb -0.20 -1.87 0.69 0.00 -0.57 0.00 0.00 43.02 41.08 2k8q s PHE 53 CO -0.03 0.31 1.42 -0.35 -0.10 0.00 0.00 175.22 176.48 2k8q n PRO 54 N -0.97 0.13 -2.34 0.24 -0.04 -1.26 -4.76 135.00 126.00 2k8q n PRO 54 Ca -0.05 0.19 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2k8q n PRO 54 Cb 0.54 -1.50 -0.01 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 -1.36 -0.43 -4.32 0.54 8.25 -1.26 -5.14 115.22 111.49 2k8q n HIS 55 Ca 0.06 -0.54 -0.30 0.00 -0.26 0.00 0.00 57.72 56.67 2k8q n HIS 55 Cb 0.14 -0.09 -0.16 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.45 2.50 0.32 -0.41 1.03 -1.26 -4.61 118.70 113.81 2k8q s GLU 56 Ca 0.03 -0.65 0.05 0.00 0.03 0.00 0.00 54.97 54.43 2k8q s GLU 56 Cb -0.00 -2.15 0.05 0.00 -0.80 0.00 0.00 34.13 31.23 2k8q s GLU 56 CO 0.02 -0.12 0.40 1.28 -1.33 0.00 0.00 175.26 175.50 2k8q n LEU 57 N 4.40 0.00 -3.77 1.83 4.77 -1.01 -3.80 117.00 119.42 2k8q n LEU 57 Ca -0.19 -1.44 -0.13 0.00 -0.03 0.00 0.00 56.01 54.22 2k8q n LEU 57 Cb 0.51 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2k8q n LEU 57 CO 0.24 -0.58 -0.01 -0.51 -1.33 0.00 0.00 177.39 175.21 2k8q s ILE 58 N -1.13 0.03 -0.43 -0.08 2.07 -0.51 -4.33 121.20 116.83 2k8q s ILE 58 Ca 0.30 -0.24 -0.12 0.00 -1.41 0.00 0.00 60.65 59.19 2k8q s ILE 58 Cb -0.02 -0.52 0.06 0.00 0.13 0.00 0.00 42.46 42.11 2k8q s ILE 58 CO 0.19 -0.13 0.29 -0.62 -1.91 0.00 0.00 174.94 172.76 2k8q s ASP 59 N -0.54 5.84 0.00 4.50 2.15 -1.26 -3.38 116.67 123.97 2k8q s ASP 59 Ca -0.07 -1.32 0.00 0.00 0.43 0.00 0.00 52.55 51.59 2k8q s ASP 59 Cb -0.04 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 2k8q s ASP 59 CO 0.02 -0.54 0.00 -0.67 -0.17 0.00 0.00 175.17 173.81 2k8q n ASP 60 N 5.03 1.73 0.06 -0.34 2.03 -1.26 -5.00 116.55 118.81 2k8q n ASP 60 Ca -0.11 -0.63 -0.02 0.00 0.52 0.00 0.00 54.79 54.55 2k8q n ASP 60 Cb 0.44 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.07 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 0.35 -0.48 -0.67 -0.00 -2.04 -2.82 114.58 108.93 2k8q h GLU 61 Ca 0.00 -0.14 -0.05 0.00 -0.00 0.00 0.00 59.36 59.18 2k8q h GLU 61 Cb 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.71 2k8q h GLU 61 CO 0.00 0.62 0.11 0.07 -0.00 0.00 0.00 179.01 179.82 2k8q h ARG 62 N 0.31 0.73 -6.60 1.06 -0.00 -1.99 -3.43 114.38 104.46 2k8q h ARG 62 Ca 0.04 -0.14 -0.56 0.00 -0.00 0.00 0.00 59.98 59.32 2k8q h ARG 62 Cb 0.69 -0.11 0.07 0.00 -0.00 0.00 0.00 29.97 30.61 2k8q h ARG 62 CO 0.05 0.66 0.80 -1.13 -0.00 0.00 0.00 179.97 180.36 2k8q n SER 63 N -4.29 3.29 -3.57 0.08 3.41 -1.07 -4.96 113.62 106.51 2k8q n SER 63 Ca 0.03 1.11 -0.06 0.00 -0.26 0.00 0.00 58.87 59.69 2k8q n SER 63 Cb 0.22 -1.48 -0.02 0.00 -0.26 0.00 0.00 64.21 62.66 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 0.53 0.00 0.03 6.66 -1.32 -1.18 -4.89 115.64 115.47 2k8q s THR 64 Ca 0.73 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.29 2k8q s THR 64 Cb -0.61 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.36 2k8q s THR 64 CO 0.42 0.00 -0.23 0.00 -2.21 0.00 0.00 174.62 172.60 2k8q s ALA 65 N -2.44 1.95 -0.07 11.08 0.00 -1.26 -0.79 121.76 130.22 2k8q s ALA 65 Ca 0.08 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.98 2k8q s ALA 65 Cb -0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 2k8q s ALA 65 CO -0.05 0.46 -0.21 -0.65 0.00 0.00 0.00 175.76 175.30 2k8q s GLN 66 N -1.02 2.51 -0.13 0.00 1.11 0.68 -4.97 119.66 117.84 2k8q s GLN 66 Ca 0.09 -0.77 -0.23 0.00 0.01 0.00 0.00 55.36 54.47 2k8q s GLN 66 Cb -0.09 -2.00 -0.03 0.00 -1.01 0.00 0.00 33.01 29.88 2k8q s GLN 66 CO 0.01 0.22 0.69 -0.47 0.01 0.00 0.00 175.29 175.74 2k8q s TYR 67 N 0.22 3.48 -0.31 0.91 5.04 -1.26 -1.28 117.35 124.14 2k8q s TYR 67 Ca -0.12 1.12 -0.08 0.00 -2.44 0.00 0.00 57.07 55.55 2k8q s TYR 67 Cb -0.16 -2.82 0.01 0.00 0.35 0.00 0.00 41.96 39.35 2k8q s TYR 67 CO 0.06 -0.05 0.11 -0.51 -1.34 0.00 0.00 175.55 173.83 2k8q s ASP 68 N 0.97 5.31 0.04 4.32 1.01 0.21 -4.95 116.67 123.58 2k8q s ASP 68 Ca 0.34 -0.77 0.02 0.00 0.71 0.00 0.00 52.55 52.85 2k8q s ASP 68 Cb -0.17 -1.92 -0.25 0.00 1.01 0.00 0.00 42.92 41.59 2k8q s ASP 68 CO 0.14 -0.24 0.98 -1.28 0.21 0.00 0.00 175.17 174.98 2k8q h SER 69 N 8.28 0.21 -0.14 0.27 0.87 -1.94 0.31 113.55 121.42 2k8q h SER 69 Ca -0.30 -0.28 0.04 0.00 -1.23 0.00 0.00 61.79 60.03 2k8q h SER 69 Cb 1.12 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2k8q h SER 69 CO 0.61 1.23 0.18 0.07 -0.53 0.00 0.00 176.83 178.40 2k8q h LYS 70 N 0.04 0.00 0.00 2.24 5.09 -1.95 -2.33 116.57 119.66 2k8q h LYS 70 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.57 2k8q h LYS 70 Cb 1.94 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.27 2k8q h LYS 70 CO 0.14 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 174.03 2k8q n ASP 71 N -3.65 0.64 -2.40 7.07 2.03 -1.24 -5.00 116.55 114.01 2k8q n ASP 71 Ca 0.01 -1.16 -0.13 0.00 0.52 0.00 0.00 54.79 54.03 2k8q n ASP 71 Cb 0.29 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.08 -2.17 -4.22 -0.67 1.02 0.93 -4.84 120.64 110.61 2k8q n GLU 72 Ca 0.00 0.62 -0.26 0.00 -0.02 0.00 0.00 57.16 57.50 2k8q n GLU 72 Cb 0.21 -5.21 -0.08 0.00 -0.02 0.00 0.00 31.44 26.35 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 -1.78 3.75 -0.20 0.00 -1.09 -0.49 -0.62 121.20 120.78 2k8q s ILE 74 Ca 0.27 -0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 58.23 2k8q s ILE 74 Cb -0.09 -2.61 -0.02 0.00 -1.58 0.00 0.00 42.46 38.16 2k8q s ILE 74 CO 0.18 0.53 -0.03 0.20 -1.23 0.00 0.00 174.94 174.59 2k8q s ASN 75 N 0.02 4.58 -0.16 3.58 0.01 -0.41 -0.68 114.94 121.90 2k8q s ASN 75 Ca -0.00 -0.27 -0.00 0.00 -0.71 0.00 0.00 52.86 51.87 2k8q s ASN 75 Cb -0.14 -1.78 -0.00 0.00 0.41 0.00 0.00 41.25 39.74 2k8q s ASN 75 CO 0.03 0.05 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.83 2k8q s VAL 76 N 1.09 2.71 -0.09 1.60 1.01 0.11 -0.23 120.40 126.60 2k8q s VAL 76 Ca 0.02 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 2k8q s VAL 76 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2k8q s VAL 76 CO 0.01 0.51 0.04 -0.75 0.00 0.00 0.00 175.10 174.91 2k8q s LYS 77 N 0.83 3.11 -0.04 2.72 2.20 0.03 -1.17 119.74 127.42 2k8q s LYS 77 Ca -0.05 -0.33 -0.01 0.00 -0.36 0.00 0.00 55.97 55.22 2k8q s LYS 77 Cb -0.15 -2.90 0.03 0.00 -1.51 0.00 0.00 37.83 33.30 2k8q s LYS 77 CO -0.00 0.72 0.07 0.08 -0.36 0.00 0.00 175.35 175.86 2k8q s VAL 78 N -0.93 -0.09 0.13 4.02 1.01 -1.00 -3.11 120.40 120.43 2k8q s VAL 78 Ca 0.14 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 2k8q s VAL 78 Cb -0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 36.38 36.05 2k8q s VAL 78 CO 0.03 0.11 1.06 0.00 0.00 0.00 0.00 175.10 176.30 2k8q s ALA 79 N 1.46 3.32 0.30 5.51 0.00 -1.22 -0.89 121.76 130.23 2k8q s ALA 79 Ca -0.05 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.59 2k8q s ALA 79 Cb -0.12 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 2k8q s ALA 79 CO -0.04 -0.17 0.55 -1.59 0.00 0.00 0.00 175.76 174.51 2k8q s LYS 80 N 0.00 3.60 0.05 0.00 -2.85 -1.26 -1.42 119.74 117.87 2k8q s LYS 80 Ca 0.50 -0.05 -0.20 0.00 -1.00 0.00 0.00 55.97 55.22 2k8q s LYS 80 Cb -0.27 -2.65 -0.13 0.00 -2.06 0.00 0.00 37.83 32.73 2k8q s LYS 80 CO 0.32 0.20 1.39 -0.07 0.10 0.00 0.00 175.35 177.29 2k8q h LEU 81 N 1.51 0.38 -8.51 2.77 3.38 -1.87 -3.43 115.31 109.53 2k8q h LEU 81 Ca -0.48 -0.43 -0.66 0.00 0.09 0.00 0.00 57.88 56.40 2k8q h LEU 81 Cb 1.19 -0.10 -0.28 0.00 0.09 0.00 0.00 40.66 41.56 2k8q h LEU 81 CO 0.65 0.72 -0.77 0.20 0.09 0.00 0.00 178.44 179.34 2k8q s ASN 82 N -6.05 3.94 0.82 -0.43 0.01 -1.26 -5.11 114.94 106.85 2k8q s ASN 82 Ca -0.14 -0.38 -0.11 0.00 -0.71 0.00 0.00 52.86 51.52 2k8q s ASN 82 Cb 0.06 -1.61 0.08 0.00 0.41 0.00 0.00 41.25 40.19 2k8q s ASN 82 CO 0.75 0.12 1.10 -0.75 -1.51 0.00 0.00 177.10 176.80 2k8q s LYS 83 N 0.63 1.86 -1.33 -0.60 2.20 -1.26 -3.14 119.74 118.11 2k8q s LYS 83 Ca -0.07 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 2k8q s LYS 83 Cb -0.15 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.31 2k8q s LYS 83 CO 0.03 -1.92 0.00 0.09 -0.36 0.00 0.00 175.35 173.19 2k8q n ASN 84 N -3.71 -5.35 -4.68 1.43 5.03 -1.10 -4.95 115.26 101.94 2k8q n ASN 84 Ca 0.09 0.31 -0.39 0.00 0.87 0.00 0.00 54.58 55.46 2k8q n ASN 84 Cb 0.53 -3.95 -0.06 0.00 -1.02 0.00 0.00 39.78 35.28 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 -2.98 4.25 0.57 3.52 2.12 -1.19 -4.98 118.70 120.02 2k8q s GLU 85 Ca 0.00 0.48 0.08 0.00 0.36 0.00 0.00 54.97 55.89 2k8q s GLU 85 Cb 0.00 -3.52 0.07 0.00 0.26 0.00 0.00 34.13 30.94 2k8q s GLU 85 CO 0.00 -0.05 0.65 1.52 -0.54 0.00 0.00 175.26 176.83 2k8q s TYR 86 N 1.31 1.40 0.09 5.30 1.13 -1.26 -4.71 117.35 120.61 2k8q s TYR 86 Ca 0.26 -0.80 0.03 0.00 -1.41 0.00 0.00 57.07 55.15 2k8q s TYR 86 Cb -0.15 -2.08 -0.04 0.00 -1.10 0.00 0.00 41.96 38.59 2k8q s TYR 86 CO 0.10 -0.93 -0.08 -0.06 -2.51 0.00 0.00 175.55 172.07 2k8q s PHE 87 N -2.73 0.92 -0.04 -3.49 0.40 -1.26 -5.02 117.98 106.76 2k8q s PHE 87 Ca 0.50 -0.71 0.06 0.00 -0.60 0.00 0.00 56.93 56.18 2k8q s PHE 87 Cb -0.04 -0.52 0.09 0.00 0.51 0.00 0.00 43.02 43.06 2k8q s PHE 87 CO 0.32 -0.07 0.96 -1.91 0.70 0.00 0.00 175.22 175.22 2k8q n GLU 88 N 0.53 1.38 -0.00 0.44 0.00 -1.26 -4.69 120.64 117.05 2k8q n GLU 88 Ca -0.16 -1.57 0.01 0.00 0.00 0.00 0.00 57.16 55.44 2k8q n GLU 88 Cb 0.58 -0.98 -0.02 0.00 0.00 0.00 0.00 31.44 31.02 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2k8q n ASP 89 N -0.62 4.26 0.18 4.31 9.92 -1.26 -4.58 116.55 128.77 2k8q n ASP 89 Ca 0.05 -0.02 0.13 0.00 -0.53 0.00 0.00 54.79 54.42 2k8q n ASP 89 Cb 0.50 1.11 0.63 0.00 -0.64 0.00 0.00 41.12 42.71 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 -1.88 0.64 3.38 -1.91 -0.73 115.31 114.81 2k8q h LEU 90 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k8q h LEU 90 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2k8q h LEU 90 CO 0.00 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.86 2k8q n ASP 91 N -2.39 2.78 -3.62 -0.43 2.03 -1.26 -4.35 116.55 109.31 2k8q n ASP 91 Ca -0.00 -2.21 -0.27 0.00 0.52 0.00 0.00 54.79 52.82 2k8q n ASP 91 Cb 0.12 -0.41 -0.16 0.00 -0.72 0.00 0.00 41.12 39.95 2k8q n ASP 91 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k8q s LEU 92 N -1.22 0.67 0.00 -2.67 1.43 -0.28 -4.99 118.68 111.62 2k8q s LEU 92 Ca 0.29 -0.91 0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2k8q s LEU 92 Cb 0.18 -0.38 0.74 0.00 0.03 0.00 0.00 46.19 46.76 2k8q s LEU 92 CO 0.15 -0.37 1.41 -0.81 0.23 0.00 0.00 176.35 176.96 2k8q n PRO 93 N 5.20 0.20 -0.04 1.29 -0.04 -1.26 -2.58 135.00 137.77 2k8q n PRO 93 Ca -0.07 0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 2k8q n PRO 93 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.30 1.61 0.28 0.52 -2.24 -1.26 -3.92 114.28 107.96 2k8q n THR 94 Ca 0.07 -0.73 -0.17 0.00 -2.27 0.00 0.00 64.05 60.96 2k8q n THR 94 Cb 0.12 -1.22 -0.08 0.00 -2.10 0.00 0.00 70.33 67.05 2k8q n THR 94 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2k8q h LYS 95 N 0.02 -0.79 -0.38 -0.78 1.63 -1.80 0.22 116.57 114.69 2k8q h LYS 95 Ca -0.43 0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.50 2k8q h LYS 95 Cb 2.05 0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 33.79 2k8q h LYS 95 CO 0.05 -0.53 -0.02 -0.07 -3.45 0.00 0.00 179.45 175.43 2k8q h LEU 96 N -0.82 -0.19 -1.97 5.20 -0.00 -1.76 0.47 115.31 116.24 2k8q h LEU 96 Ca -0.05 0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2k8q h LEU 96 Cb 0.70 0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.53 2k8q h LEU 96 CO 0.00 -0.06 -0.11 -0.07 -0.00 0.00 0.00 178.44 178.21 2k8q h LEU 97 N 0.08 0.00 -0.01 1.67 4.07 -1.63 -3.33 115.31 116.16 2k8q h LEU 97 Ca 0.19 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.72 2k8q h LEU 97 Cb 0.27 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.94 2k8q h LEU 97 CO -0.32 0.11 -0.65 0.00 -1.08 0.00 0.00 178.44 176.49 2k8q n ALA 98 N -2.31 -1.13 -2.90 1.53 0.00 0.77 -4.83 120.51 111.63 2k8q n ALA 98 Ca -0.02 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 2k8q n ALA 98 Cb 0.21 -3.50 -0.11 0.00 0.00 0.00 0.00 19.45 16.05 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 -6.25 0.43 0.32 0.00 0.52 -1.23 -5.04 118.95 107.70 2k8q s ARG 99 Ca 0.50 -0.67 0.17 0.00 -0.52 0.00 0.00 55.73 55.21 2k8q s ARG 99 Cb -0.26 -0.14 0.24 0.00 0.52 0.00 0.00 34.95 35.32 2k8q s ARG 99 CO 0.62 0.01 1.53 -0.56 0.02 0.00 0.00 175.30 176.92 2k8q h GLN 100 N 4.63 0.00 0.00 3.54 3.07 -1.92 -3.47 115.11 120.95 2k8q h GLN 100 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.40 2k8q h GLN 100 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 2k8q h GLN 100 CO 0.41 0.43 0.00 0.41 0.09 0.00 0.00 178.83 180.17 2k8q n GLY 101 N 0.99 3.01 1.77 0.06 0.00 -1.26 -5.00 105.19 104.76 2k8q n GLY 101 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 2k8q n GLY 101 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k8q n ASP 102 N 0.00 4.16 -2.34 1.61 5.75 -1.26 -4.87 116.55 119.60 2k8q n ASP 102 Ca 0.00 -2.99 -0.12 0.00 -0.01 0.00 0.00 54.79 51.67 2k8q n ASP 102 Cb 0.00 -0.70 -0.01 0.00 -1.03 0.00 0.00 41.12 39.37 2k8q n ASP 102 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2k8q n LEU 103 N -0.14 -1.13 -4.72 -2.12 4.77 -1.26 -4.86 117.00 107.55 2k8q n LEU 103 Ca 0.34 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 56.10 2k8q n LEU 103 Cb 1.20 -2.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 2k8q n LEU 103 CO 0.36 -0.18 1.35 0.00 -1.33 0.00 0.00 177.39 177.59 2k8q n ALA 104 N -1.97 2.69 0.14 -1.18 0.00 -1.26 -4.93 120.51 114.00 2k8q n ALA 104 Ca -0.15 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 2k8q n ALA 104 Cb 0.59 -2.51 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 2k8q n ALA 104 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k8q h GLY 105 N 6.56 -0.43 -5.93 0.00 0.00 -2.00 -3.47 103.07 97.79 2k8q h GLY 105 Ca -0.43 0.16 -0.40 0.00 0.00 0.00 0.00 47.33 46.66 2k8q h GLY 105 CO 0.94 -0.16 -0.76 0.00 0.00 0.00 0.00 176.54 176.56 2k8q n ALA 106 N -2.64 -1.70 -1.77 3.60 0.00 -1.26 -4.94 120.51 111.80 2k8q n ALA 106 Ca -0.08 0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2k8q n ALA 106 Cb 0.25 -3.48 -0.04 0.00 0.00 0.00 0.00 19.45 16.18 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 -3.90 6.91 0.32 0.00 1.11 -1.26 -4.95 116.67 114.89 2k8q s ASP 107 Ca 0.27 2.17 0.05 0.00 0.18 0.00 0.00 52.55 55.22 2k8q s ASP 107 Cb -0.13 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.22 2k8q s ASP 107 CO 0.77 -0.39 0.21 0.00 1.18 0.00 0.00 175.17 176.94 2k8q s ALA 108 N -1.43 1.95 0.17 5.23 0.00 -1.26 -5.06 121.76 121.35 2k8q s ALA 108 Ca 0.53 -1.82 0.04 0.00 0.00 0.00 0.00 51.96 50.70 2k8q s ALA 108 Cb -0.27 1.28 -0.05 0.00 0.00 0.00 0.00 23.12 24.09 2k8q s ALA 108 CO 0.34 -0.57 -0.07 -0.48 0.00 0.00 0.00 175.76 174.98 2k8q s LEU 109 N -3.38 2.44 -0.27 0.00 2.34 -1.26 -5.14 118.68 113.41 2k8q s LEU 109 Ca 0.37 -1.07 -0.01 0.00 0.06 0.00 0.00 54.13 53.48 2k8q s LEU 109 Cb 0.04 -0.31 0.13 0.00 -0.56 0.00 0.00 46.19 45.48 2k8q s LEU 109 CO 0.21 -0.38 0.31 0.42 -1.06 0.00 0.00 176.35 175.85 2k8q s THR 110 N -3.36 -0.46 0.40 5.48 -4.23 -1.26 -5.15 115.64 107.06 2k8q s THR 110 Ca 0.20 -0.33 -0.23 0.00 -1.18 0.00 0.00 61.69 60.14 2k8q s THR 110 Cb 0.03 -0.91 -0.10 0.00 1.34 0.00 0.00 72.50 72.87 2k8q s THR 110 CO 0.02 -0.34 0.99 -1.83 -0.54 0.00 0.00 174.62 172.92 2k8q s GLU 111 N 2.41 4.27 -0.03 3.99 -1.05 -1.26 -5.07 118.70 121.97 2k8q s GLU 111 Ca 0.10 1.32 -0.01 0.00 -0.15 0.00 0.00 54.97 56.22 2k8q s GLU 111 Cb -0.14 -2.45 0.02 0.00 -0.44 0.00 0.00 34.13 31.12 2k8q s GLU 111 CO -0.26 -0.02 0.06 0.54 0.95 0.00 0.00 175.26 176.53 2k8q s ASN 112 N -1.82 -0.01 -0.17 0.83 4.22 -1.26 -5.14 114.94 111.58 2k8q s ASN 112 Ca 0.58 0.10 -0.05 0.00 -2.14 0.00 0.00 52.86 51.36 2k8q s ASN 112 Cb -0.16 0.05 0.09 0.00 1.28 0.00 0.00 41.25 42.50 2k8q s ASN 112 CO 0.21 -0.08 0.30 0.42 -2.04 0.00 0.00 177.10 175.91 2k8q s THR 113 N 0.61 -0.47 -0.09 0.54 -4.23 -1.26 -5.01 115.64 105.73 2k8q s THR 113 Ca -0.05 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 2k8q s THR 113 Cb -0.07 -0.59 -0.08 0.00 1.34 0.00 0.00 72.50 73.10 2k8q s THR 113 CO -0.02 0.00 -0.03 -0.67 -0.54 0.00 0.00 174.62 173.36 2k8q n ASP 114 N 5.35 3.19 -4.70 3.99 2.03 -1.26 -4.99 116.55 120.17 2k8q n ASP 114 Ca -0.06 -0.03 -0.42 0.00 0.52 0.00 0.00 54.79 54.80 2k8q n ASP 114 Cb 0.50 0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 41.15 2k8q n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k8q s ALA 115 N -2.19 3.64 1.14 -1.67 0.00 -1.26 -4.98 121.76 116.44 2k8q s ALA 115 Ca -0.08 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 2k8q s ALA 115 Cb 0.03 -3.63 0.15 0.00 0.00 0.00 0.00 23.12 19.67 2k8q s ALA 115 CO 0.27 -0.93 0.17 0.36 0.00 0.00 0.00 175.76 175.62 2k8q n LYS 116 N 5.12 -1.99 -1.96 0.00 0.00 -1.26 -4.86 118.16 113.21 2k8q n LYS 116 Ca 0.14 -0.57 -0.42 0.00 -0.00 0.00 0.00 58.31 57.47 2k8q n LYS 116 Cb 0.42 -1.72 -0.02 0.00 -0.00 0.00 0.00 35.03 33.71 2k8q n LYS 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2k8q s LYS 117 N -3.61 4.23 -0.05 -1.58 2.47 -1.26 -4.97 119.74 114.97 2k8q s LYS 117 Ca 0.55 2.35 -0.26 0.00 -1.56 0.00 0.00 55.97 57.05 2k8q s LYS 117 Cb -0.12 -3.11 -0.03 0.00 -1.46 0.00 0.00 37.83 33.11 2k8q s LYS 117 CO 0.61 -0.50 0.83 0.99 0.16 0.00 0.00 175.35 177.44 2k8q s THR 118 N 0.29 4.96 -0.39 3.43 2.01 -1.26 -4.96 115.64 119.71 2k8q s THR 118 Ca 0.63 1.72 -0.28 0.00 0.31 0.00 0.00 61.69 64.06 2k8q s THR 118 Cb -0.43 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 67.84 2k8q s THR 118 CO 0.41 0.19 2.33 0.00 -0.69 0.00 0.00 174.62 176.86 2k8q n GLN 119 N 3.99 1.34 -3.36 4.92 6.02 -1.26 -4.87 117.38 124.17 2k8q n GLN 119 Ca 0.02 0.24 -0.27 0.00 -0.01 0.00 0.00 57.00 56.99 2k8q n GLN 119 Cb 0.51 -3.13 -0.07 0.00 1.02 0.00 0.00 30.24 28.57 2k8q n GLN 119 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2k8q n LYS 120 N 8.78 2.62 -0.53 -1.09 4.81 -1.26 -5.09 118.16 126.41 2k8q n LYS 120 Ca 0.37 -4.70 -0.15 0.00 -0.87 0.00 0.00 58.31 52.95 2k8q n LYS 120 Cb 0.44 -2.25 0.13 0.00 0.02 0.00 0.00 35.03 33.36 2k8q n LYS 120 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2k8q n PRO 121 N 0.70 -2.12 -3.56 1.64 -0.04 -1.26 -5.01 135.00 125.35 2k8q n PRO 121 Ca 0.30 -0.90 -0.41 0.00 -0.04 0.00 0.00 63.50 62.46 2k8q n PRO 121 Cb 0.41 -0.84 -0.09 0.00 -0.04 0.00 0.00 33.50 32.93 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 5.29 0.00 1.53 1.98 -1.26 -5.07 118.68 121.15 2k8q s LEU 122 Ca 0.36 -1.52 0.08 0.00 -2.89 0.00 0.00 54.13 50.16 2k8q s LEU 122 Cb -0.04 -2.02 -0.02 0.00 0.66 0.00 0.00 46.19 44.77 2k8q s LEU 122 CO 0.28 -0.57 -0.26 -0.63 -1.89 0.00 0.00 176.35 173.28 2k8q s ILE 123 N 1.45 2.13 0.31 6.68 1.01 -1.26 -5.14 121.20 126.38 2k8q s ILE 123 Ca 0.03 -1.19 0.08 0.00 0.00 0.00 0.00 60.65 59.57 2k8q s ILE 123 Cb -0.24 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2k8q s ILE 123 CO 0.02 0.50 0.14 0.00 0.00 0.00 0.00 174.94 175.61 2k8q s GLN 124 N -0.84 2.49 0.30 2.79 -2.07 -1.26 -5.14 119.66 115.92 2k8q s GLN 124 Ca 0.11 -1.41 0.11 0.00 -1.82 0.00 0.00 55.36 52.35 2k8q s GLN 124 Cb -0.10 -2.28 -0.05 0.00 -1.09 0.00 0.00 33.01 29.49 2k8q s GLN 124 CO 0.00 0.20 -0.17 -1.21 -1.32 0.00 0.00 175.29 172.80 2k8q s GLU 125 N -3.83 1.72 -0.25 9.60 2.02 -1.26 -5.13 118.70 121.57 2k8q s GLU 125 Ca 0.36 -1.82 -0.05 0.00 0.02 0.00 0.00 54.97 53.48 2k8q s GLU 125 Cb -0.05 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.45 2k8q s GLU 125 CO 0.23 0.27 0.00 0.08 0.02 0.00 0.00 175.26 175.86 2k8q s VAL 126 N -2.55 3.56 -0.02 2.63 1.01 -1.26 -5.08 120.40 118.68 2k8q s VAL 126 Ca 0.31 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 2k8q s VAL 126 Cb -0.03 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.65 2k8q s VAL 126 CO 0.15 0.26 0.35 -0.70 0.00 0.00 0.00 175.10 175.16 2k8q s GLU 127 N 1.47 0.69 0.08 2.72 2.12 -1.26 -5.18 118.70 119.35 2k8q s GLU 127 Ca 0.04 -0.11 -0.13 0.00 0.36 0.00 0.00 54.97 55.13 2k8q s GLU 127 Cb -0.16 0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.56 2k8q s GLU 127 CO -0.01 -0.19 0.29 -0.08 -0.54 0.00 0.00 175.26 174.73 2k8q s THR 128 N -1.23 0.10 0.15 -1.70 -1.32 -1.26 -5.18 115.64 105.20 2k8q s THR 128 Ca -0.13 -0.82 -0.23 0.00 -1.21 0.00 0.00 61.69 59.31 2k8q s THR 128 Cb -0.05 -1.13 0.07 0.00 -1.51 0.00 0.00 72.50 69.88 2k8q s THR 128 CO 0.05 -0.45 0.61 -1.81 -2.21 0.00 0.00 174.62 170.81 2k8q s ASP 129 N -2.53 -0.56 -0.29 8.08 1.01 -1.26 -5.18 116.67 115.95 2k8q s ASP 129 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 52.55 53.09 2k8q s ASP 129 Cb 0.02 0.59 0.13 0.00 1.01 0.00 0.00 42.92 44.67 2k8q s ASP 129 CO -0.08 -0.96 0.94 -0.83 0.21 0.00 0.00 175.17 174.45 2k8q s GLY 130 N -2.73 -0.14 -0.06 0.21 0.00 -1.26 -5.17 107.32 98.16 2k8q s GLY 130 Ca 0.01 2.92 -0.16 0.00 0.00 0.00 0.00 44.72 47.48 2k8q s GLY 130 CO -0.13 2.40 0.39 0.54 0.00 0.00 0.00 173.10 176.29 2k8q s VAL 131 N 1.15 0.03 0.10 1.40 0.11 -1.26 -5.17 120.40 116.76 2k8q s VAL 131 Ca -0.07 -0.26 0.10 0.00 -2.93 0.00 0.00 61.98 58.83 2k8q s VAL 131 Cb -0.04 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 2k8q s VAL 131 CO -0.14 -0.14 -0.27 -0.94 -3.33 0.00 0.00 175.10 170.28 2k8q s SER 132 N -0.79 3.28 0.14 3.54 1.04 -1.26 -5.15 113.70 114.49 2k8q s SER 132 Ca -0.09 -0.69 0.06 0.00 0.48 0.00 0.00 55.95 55.72 2k8q s SER 132 Cb -0.04 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 2k8q s SER 132 CO 0.04 0.21 -0.14 0.54 0.98 0.00 0.00 173.24 174.86 2k8q s ASN 133 N -1.75 2.12 0.00 7.02 2.20 -1.26 -5.39 114.94 117.87 2k8q s ASN 133 Ca 0.13 -0.85 0.00 0.00 -0.94 0.00 0.00 52.86 51.21 2k8q s ASN 133 Cb -0.10 -0.08 0.00 0.00 -2.00 0.00 0.00 41.25 39.07 2k8q s ASN 133 CO 0.05 -0.14 0.32 -3.20 -2.94 0.00 0.00 177.10 171.18