#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 0.63 0.00 -0.61 1.01 0.91 -5.00 121.20 118.14 2k8q s ILE 2 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.56 2k8q s ILE 2 Cb 0.00 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2k8q s ILE 2 CO 0.00 0.26 0.00 1.07 0.00 0.00 0.00 174.94 176.27 2k8q n THR 3 N 5.06 0.00 0.00 2.92 5.66 -1.26 -3.81 114.28 122.85 2k8q n THR 3 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2k8q n THR 3 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 2k8q n THR 3 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2k8q n PRO 4 N -0.43 0.00 -4.01 1.09 -0.04 -1.26 -4.99 135.00 125.36 2k8q n PRO 4 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2k8q n PRO 4 Cb 0.00 -0.68 -0.12 0.00 -0.04 0.00 0.00 33.50 32.67 2k8q n PRO 4 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k8q s ARG 5 N -0.43 0.37 -0.17 0.54 3.00 -1.26 -5.09 118.95 115.91 2k8q s ARG 5 Ca 0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 55.73 54.85 2k8q s ARG 5 Cb 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 34.95 34.97 2k8q s ARG 5 CO 0.00 -0.00 0.77 -0.59 0.00 0.00 0.00 175.30 175.48 2k8q s PHE 6 N -1.26 -0.65 -0.01 -0.53 -0.71 -1.26 -1.08 117.98 112.48 2k8q s PHE 6 Ca -0.12 1.35 0.06 0.00 -1.04 0.00 0.00 56.93 57.18 2k8q s PHE 6 Cb -0.09 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.07 2k8q s PHE 6 CO -0.00 -0.45 -0.20 0.45 -1.34 0.00 0.00 175.22 173.67 2k8q s SER 7 N -0.47 2.38 -0.05 1.98 0.15 0.66 -4.90 113.70 113.45 2k8q s SER 7 Ca -0.04 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2k8q s SER 7 Cb -0.02 -0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 2k8q s SER 7 CO 0.04 0.25 -0.02 -0.63 1.20 0.00 0.00 173.24 174.07 2k8q s ILE 8 N -0.48 4.04 0.05 6.45 1.01 -1.26 0.14 121.20 131.16 2k8q s ILE 8 Ca 0.08 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.34 2k8q s ILE 8 Cb -0.08 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2k8q s ILE 8 CO -0.01 0.53 -0.16 -0.89 0.00 0.00 0.00 174.94 174.42 2k8q s THR 9 N -0.92 1.24 0.03 2.92 2.01 0.42 -4.78 115.64 116.55 2k8q s THR 9 Ca 0.15 -1.16 0.07 0.00 0.31 0.00 0.00 61.69 61.06 2k8q s THR 9 Cb -0.11 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 2k8q s THR 9 CO 0.04 -0.04 -0.20 0.00 -0.69 0.00 0.00 174.62 173.74 2k8q s GLN 10 N -1.38 2.07 0.44 4.92 -2.07 -1.26 -1.18 119.66 121.20 2k8q s GLN 10 Ca 0.02 -0.97 0.03 0.00 -1.82 0.00 0.00 55.36 52.62 2k8q s GLN 10 Cb -0.09 -2.16 -0.02 0.00 -1.09 0.00 0.00 33.01 29.65 2k8q s GLN 10 CO 0.02 0.54 0.11 -0.51 -1.32 0.00 0.00 175.29 174.13 2k8q s ASP 11 N -1.28 3.13 -0.31 12.60 1.11 -0.81 -4.95 116.67 126.16 2k8q s ASP 11 Ca 0.13 -1.70 0.04 0.00 0.18 0.00 0.00 52.55 51.20 2k8q s ASP 11 Cb -0.10 0.56 0.49 0.00 1.07 0.00 0.00 42.92 44.94 2k8q s ASP 11 CO 0.04 -0.95 1.63 -1.84 1.18 0.00 0.00 175.17 175.24 2k8q n GLU 12 N -1.01 2.08 0.00 8.23 0.28 -1.26 -4.25 120.64 124.71 2k8q n GLU 12 Ca -0.09 -2.17 0.00 0.00 -0.16 0.00 0.00 57.16 54.74 2k8q n GLU 12 Cb 0.65 -1.87 0.00 0.00 1.43 0.00 0.00 31.44 31.66 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 -3.90 3.44 0.28 -1.26 -3.31 120.64 115.31 2k8q n GLU 13 Ca 0.41 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.30 2k8q n GLU 13 Cb 1.31 -0.11 0.00 0.00 1.43 0.00 0.00 31.44 34.07 2k8q n GLU 13 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2k8q s PHE 14 N -1.08 0.44 -0.05 -1.84 -0.71 -1.26 -4.16 117.98 109.31 2k8q s PHE 14 Ca 0.00 -0.96 -0.01 0.00 -1.04 0.00 0.00 56.93 54.92 2k8q s PHE 14 Cb 0.00 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 2k8q s PHE 14 CO 0.00 -1.42 0.02 0.42 -1.34 0.00 0.00 175.22 172.90 2k8q s ILE 15 N -2.58 4.40 -0.28 -4.49 -1.09 -0.14 -1.93 121.20 115.09 2k8q s ILE 15 Ca 0.20 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 2k8q s ILE 15 Cb -0.04 -2.90 0.07 0.00 -1.58 0.00 0.00 42.46 38.02 2k8q s ILE 15 CO 0.14 0.51 -0.03 0.12 -1.23 0.00 0.00 174.94 174.46 2k8q s PHE 16 N -0.99 3.04 -0.23 3.97 5.36 -0.32 -2.39 117.98 126.42 2k8q s PHE 16 Ca 0.16 -2.31 -0.13 0.00 -0.96 0.00 0.00 56.93 53.69 2k8q s PHE 16 Cb -0.11 -2.10 -0.05 0.00 -0.34 0.00 0.00 43.02 40.42 2k8q s PHE 16 CO 0.06 -0.87 0.25 -1.17 -1.46 0.00 0.00 175.22 172.03 2k8q s LEU 17 N 1.17 4.13 -0.12 6.12 2.96 0.04 -0.44 118.68 132.54 2k8q s LEU 17 Ca -0.01 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 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 -0.08 0.01 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.17 2k8q s LYS 18 N 1.17 3.31 -0.05 1.98 2.20 0.12 -0.44 119.74 128.04 2k8q s LYS 18 Ca 0.12 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 2k8q s LYS 18 Cb -0.14 -2.80 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 2k8q s LYS 18 CO 0.06 0.43 -0.11 0.42 -0.36 0.00 0.00 175.35 175.78 2k8q s ILE 19 N -0.15 1.00 -0.12 5.43 1.09 -0.23 -0.24 121.20 127.98 2k8q s ILE 19 Ca 0.03 -0.44 -0.12 0.00 -1.10 0.00 0.00 60.65 59.02 2k8q s ILE 19 Cb -0.13 -0.91 -0.05 0.00 -1.06 0.00 0.00 42.46 40.32 2k8q s ILE 19 CO 0.03 0.32 0.26 -0.36 -0.10 0.00 0.00 174.94 175.08 2k8q s PHE 20 N 0.44 3.54 -0.04 3.97 0.08 -0.24 -0.16 117.98 125.57 2k8q s PHE 20 Ca -0.09 0.62 -0.17 0.00 0.12 0.00 0.00 56.93 57.41 2k8q s PHE 20 Cb -0.13 -2.20 0.03 0.00 -0.57 0.00 0.00 43.02 40.15 2k8q s PHE 20 CO 0.02 0.46 0.38 0.96 -0.10 0.00 0.00 175.22 176.94 2k8q s ILE 21 N -0.24 0.04 0.49 0.64 -4.36 -1.22 -4.25 121.20 112.29 2k8q s ILE 21 Ca 0.16 -0.32 -0.08 0.00 -0.26 0.00 0.00 60.65 60.15 2k8q s ILE 21 Cb -0.13 -0.66 0.12 0.00 1.25 0.00 0.00 42.46 43.04 2k8q s ILE 21 CO 0.05 -0.18 0.45 -0.24 0.24 0.00 0.00 174.94 175.26 2k8q n SER 22 N 1.49 -1.35 -1.54 4.36 2.88 -1.26 -4.49 113.62 113.71 2k8q n SER 22 Ca -0.20 -0.79 0.04 0.00 -1.33 0.00 0.00 58.87 56.59 2k8q n SER 22 Cb 0.56 -0.40 0.29 0.00 -0.75 0.00 0.00 64.21 63.91 2k8q n SER 22 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2k8q n ASN 23 N -3.72 4.42 -3.31 -3.46 0.23 -1.26 -4.97 115.26 103.19 2k8q n ASN 23 Ca 0.06 -2.71 -0.25 0.00 -0.53 0.00 0.00 54.58 51.16 2k8q n ASN 23 Cb 0.24 -0.64 0.24 0.00 -2.08 0.00 0.00 39.78 37.53 2k8q n ASN 23 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2k8q n ILE 24 N 0.39 0.00 -1.52 1.53 -5.35 -1.26 -4.67 119.36 108.49 2k8q n ILE 24 Ca 0.21 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.29 2k8q n ILE 24 Cb 0.97 -0.80 -0.07 0.00 -1.74 0.00 0.00 39.64 37.99 2k8q n ILE 24 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2k8q n ARG 25 N -4.25 0.78 -4.04 6.28 1.85 -1.26 -4.90 116.66 111.12 2k8q n ARG 25 Ca 0.11 0.07 -0.32 0.00 -1.00 0.00 0.00 57.85 56.72 2k8q n ARG 25 Cb 0.49 -2.68 -0.15 0.00 -1.05 0.00 0.00 32.46 29.07 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 10.17 3.03 0.46 2.89 2.19 -1.26 -4.89 117.98 130.56 2k8q s PHE 26 Ca 1.12 -2.15 0.06 0.00 0.33 0.00 0.00 56.93 56.29 2k8q s PHE 26 Cb -0.63 -1.84 0.06 0.00 -1.31 0.00 0.00 43.02 39.29 2k8q s PHE 26 CO 0.38 -0.85 0.47 0.45 1.83 0.00 0.00 175.22 177.50 2k8q n SER 27 N 4.50 2.13 -0.35 6.13 2.88 -1.26 -5.05 113.62 122.60 2k8q n SER 27 Ca -0.14 -2.42 0.08 0.00 -1.33 0.00 0.00 58.87 55.06 2k8q n SER 27 Cb 0.43 -0.16 0.16 0.00 -0.75 0.00 0.00 64.21 63.88 2k8q n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k8q n ALA 28 N -2.23 2.81 -0.02 -1.46 0.00 -1.26 -4.62 120.51 113.73 2k8q n ALA 28 Ca -0.13 -2.82 -0.05 0.00 0.00 0.00 0.00 53.44 50.44 2k8q n ALA 28 Cb 0.50 -0.39 -0.13 0.00 0.00 0.00 0.00 19.45 19.44 2k8q n ALA 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k8q n VAL 29 N -1.18 1.38 0.19 0.00 0.31 -1.26 -4.26 118.33 113.52 2k8q n VAL 29 Ca 0.16 -0.76 0.11 0.00 -0.01 0.00 0.00 64.34 63.84 2k8q n VAL 29 Cb 0.68 -0.81 -0.15 0.00 -0.91 0.00 0.00 33.84 32.65 2k8q n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k8q n GLY 30 N 1.53 -1.03 3.47 2.92 0.00 -1.26 -4.93 105.19 105.89 2k8q n GLY 30 Ca -0.17 -0.52 -0.49 0.00 0.00 0.00 0.00 46.02 44.85 2k8q n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k8q n LEU 31 N -2.13 2.26 -2.67 0.99 4.32 -1.26 -4.53 117.00 113.97 2k8q n LEU 31 Ca -0.02 0.34 -0.05 0.00 -0.02 0.00 0.00 56.01 56.26 2k8q n LEU 31 Cb 0.52 -1.31 0.08 0.00 -1.62 0.00 0.00 43.42 41.09 2k8q n LEU 31 CO 0.45 -0.76 0.59 1.21 -1.22 0.00 0.00 177.39 177.66 2k8q n GLU 32 N 8.32 0.20 -2.28 3.23 4.07 -1.26 -5.02 120.64 127.90 2k8q n GLU 32 Ca 0.40 -0.81 -0.42 0.00 -0.06 0.00 0.00 57.16 56.28 2k8q n GLU 32 Cb 0.27 -0.33 -0.03 0.00 -0.06 0.00 0.00 31.44 31.29 2k8q n GLU 32 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2k8q s ILE 33 N 0.15 3.47 0.16 6.31 1.01 -1.26 -4.65 121.20 126.39 2k8q s ILE 33 Ca 0.25 1.14 0.08 0.00 0.00 0.00 0.00 60.65 62.12 2k8q s ILE 33 Cb 0.23 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2k8q s ILE 33 CO -0.12 0.13 -0.17 0.27 0.00 0.00 0.00 174.94 175.05 2k8q s ILE 34 N 0.53 1.75 -0.11 2.92 -5.25 -1.07 -4.98 121.20 114.99 2k8q s ILE 34 Ca 0.58 -1.93 0.01 0.00 -0.99 0.00 0.00 60.65 58.33 2k8q s ILE 34 Cb -0.34 -1.83 -0.02 0.00 2.95 0.00 0.00 42.46 43.22 2k8q s ILE 34 CO 0.34 -0.36 -0.15 -0.63 -1.79 0.00 0.00 174.94 172.35 2k8q s ILE 35 N -2.17 2.93 0.26 8.37 1.09 -1.26 -0.68 121.20 129.74 2k8q s ILE 35 Ca 0.16 -0.72 -0.04 0.00 -1.10 0.00 0.00 60.65 58.94 2k8q s ILE 35 Cb -0.05 -2.20 0.06 0.00 -1.06 0.00 0.00 42.46 39.21 2k8q s ILE 35 CO 0.06 0.54 0.30 0.00 -0.10 0.00 0.00 174.94 175.75 2k8q n GLN 36 N 3.27 -0.72 -0.31 2.79 1.13 0.13 -4.66 117.38 119.00 2k8q n GLN 36 Ca -0.18 -0.47 0.18 0.00 -1.94 0.00 0.00 57.00 54.59 2k8q n GLN 36 Cb 0.53 -0.35 0.45 0.00 0.11 0.00 0.00 30.24 30.97 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 0.51 0.00 -1.09 4.11 -2.01 -3.39 114.58 112.72 2k8q h GLU 37 Ca -0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2k8q h GLU 37 Cb 0.29 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k8q h GLU 37 CO 0.07 0.34 -0.10 0.27 0.07 0.00 0.00 179.01 179.65 2k8q n ASN 38 N -4.64 -0.00 -4.64 3.06 6.94 -1.26 -4.11 115.26 110.60 2k8q n ASN 38 Ca 0.23 0.05 -0.29 0.00 -0.02 0.00 0.00 54.58 54.55 2k8q n ASN 38 Cb 0.72 0.04 0.15 0.00 -2.36 0.00 0.00 39.78 38.33 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 0.93 -0.04 -3.83 0.23 -1.26 -2.29 119.30 111.03 2k8q s MET 39 Ca 0.00 0.18 0.06 0.00 -1.03 0.00 0.00 55.69 54.90 2k8q s MET 39 Cb 0.00 -1.82 -0.02 0.00 -1.53 0.00 0.00 34.83 31.46 2k8q s MET 39 CO 0.00 -2.32 -0.22 0.42 -2.03 0.00 0.00 175.02 170.87 2k8q s ILE 40 N -3.33 2.36 -0.24 3.16 1.01 -0.25 0.18 121.20 124.09 2k8q s ILE 40 Ca 0.65 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 2k8q s ILE 40 Cb -0.13 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2k8q s ILE 40 CO 0.53 0.58 0.03 -0.63 0.00 0.00 0.00 174.94 175.45 2k8q s ILE 41 N -0.51 4.02 -0.48 2.92 -1.09 0.14 -1.62 121.20 124.59 2k8q s ILE 41 Ca 0.07 -0.27 -0.16 0.00 -2.23 0.00 0.00 60.65 58.05 2k8q s ILE 41 Cb -0.11 -2.86 0.07 0.00 -1.58 0.00 0.00 42.46 37.97 2k8q s ILE 41 CO 0.01 0.37 0.44 0.12 -1.23 0.00 0.00 174.94 174.65 2k8q s PHE 42 N 1.53 3.21 -0.12 3.97 5.36 -0.04 -2.60 117.98 129.28 2k8q s PHE 42 Ca 0.06 -0.85 0.19 0.00 -0.96 0.00 0.00 56.93 55.37 2k8q s PHE 42 Cb -0.15 -3.24 -0.28 0.00 -0.34 0.00 0.00 43.02 39.01 2k8q s PHE 42 CO 0.01 -0.84 0.46 1.58 -1.46 0.00 0.00 175.22 174.97 2k8q n HIS 43 N 5.40 0.00 -1.17 10.12 -0.00 -1.26 -1.42 115.22 126.88 2k8q n HIS 43 Ca -0.11 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.71 2k8q n HIS 43 Cb 0.44 -0.38 0.08 0.00 -0.12 0.00 0.00 29.99 30.00 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 -2.07 0.48 -1.23 0.27 0.00 -1.26 -4.72 117.00 108.46 2k8q n LEU 44 Ca -0.03 0.53 0.15 0.00 0.00 0.00 0.00 56.01 56.67 2k8q n LEU 44 Cb 0.47 -1.20 -0.07 0.00 0.00 0.00 0.00 43.42 42.62 2k8q n LEU 44 CO 0.39 -3.28 -0.45 -0.24 0.00 0.00 0.00 177.39 173.82 2k8q n SER 45 N -0.39 -7.16 0.00 1.96 2.88 -1.26 -4.19 113.62 105.46 2k8q n SER 45 Ca 0.09 1.02 0.07 0.00 -1.33 0.00 0.00 58.87 58.72 2k8q n SER 45 Cb 0.51 -4.09 0.39 0.00 -0.75 0.00 0.00 64.21 60.27 2k8q n SER 45 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2k8q n PRO 46 N -4.03 0.25 -4.49 -1.46 -0.04 -1.26 -4.62 135.00 119.34 2k8q n PRO 46 Ca -0.05 0.13 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 2k8q n PRO 46 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.50 2.93 -0.11 0.54 2.02 -1.26 -5.10 117.35 113.87 2k8q s TYR 47 Ca 0.15 -0.51 -0.16 0.00 -0.37 0.00 0.00 57.07 56.18 2k8q s TYR 47 Cb 0.10 -1.93 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 2k8q s TYR 47 CO 0.22 -0.17 0.42 -0.47 -1.57 0.00 0.00 175.55 173.98 2k8q s TYR 48 N 0.49 3.53 0.07 2.71 6.14 -1.25 -4.65 117.35 124.38 2k8q s TYR 48 Ca -0.06 0.82 0.06 0.00 0.64 0.00 0.00 57.07 58.53 2k8q s TYR 48 Cb -0.15 -2.46 -0.03 0.00 0.42 0.00 0.00 41.96 39.74 2k8q s TYR 48 CO 0.03 0.25 -0.16 -1.17 0.64 0.00 0.00 175.55 175.15 2k8q s LEU 49 N 0.36 2.24 -0.09 6.97 2.96 -0.51 -0.06 118.68 130.56 2k8q s LEU 49 Ca 0.23 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 2k8q s LEU 49 Cb -0.15 -0.63 0.00 0.00 0.50 0.00 0.00 46.19 45.91 2k8q s LEU 49 CO 0.09 -0.01 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.31 2k8q s ARG 50 N -1.57 2.62 -0.24 1.98 3.52 -1.26 -0.86 118.95 123.14 2k8q s ARG 50 Ca 0.01 -0.74 -0.00 0.00 -0.13 0.00 0.00 55.73 54.87 2k8q s ARG 50 Cb -0.09 -2.02 0.03 0.00 -1.56 0.00 0.00 34.95 31.31 2k8q s ARG 50 CO 0.02 0.14 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.06 2k8q s LEU 51 N 0.42 3.13 -0.40 -0.88 1.43 -0.64 -4.23 118.68 117.51 2k8q s LEU 51 Ca -0.17 -0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 51.91 2k8q s LEU 51 Cb -0.17 -1.62 0.09 0.00 0.03 0.00 0.00 46.19 44.51 2k8q s LEU 51 CO 0.07 -0.13 0.20 -0.60 0.23 0.00 0.00 176.35 176.13 2k8q s ARG 52 N 1.28 2.38 0.23 1.70 3.00 -1.26 -1.09 118.95 125.18 2k8q s ARG 52 Ca -0.01 -1.56 -0.01 0.00 -1.00 0.00 0.00 55.73 53.15 2k8q s ARG 52 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 34.95 31.11 2k8q s ARG 52 CO -0.06 -0.95 0.43 -0.06 0.00 0.00 0.00 175.30 174.67 2k8q s PHE 53 N 1.30 3.48 -1.20 5.12 0.08 -1.26 -4.65 117.98 120.85 2k8q s PHE 53 Ca 0.03 0.40 0.14 0.00 0.12 0.00 0.00 56.93 57.62 2k8q s PHE 53 Cb -0.23 -1.90 0.67 0.00 -0.57 0.00 0.00 43.02 40.99 2k8q s PHE 53 CO -0.01 0.32 1.43 -0.35 -0.10 0.00 0.00 175.22 176.52 2k8q n PRO 54 N -0.81 0.10 -2.46 0.24 -0.04 -1.26 -4.76 135.00 126.00 2k8q n PRO 54 Ca -0.04 0.21 -0.09 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 32.49 2k8q n PRO 54 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2k8q n HIS 55 N -1.40 -0.72 -4.41 0.54 8.25 -1.26 -5.13 115.22 111.09 2k8q n HIS 55 Ca 0.05 -0.80 -0.29 0.00 -0.26 0.00 0.00 57.72 56.42 2k8q n HIS 55 Cb 0.14 -0.14 -0.17 0.00 1.12 0.00 0.00 29.99 30.95 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 -2.71 2.36 0.47 -0.41 1.03 -1.26 -4.58 118.70 113.59 2k8q s GLU 56 Ca 0.07 -0.61 0.07 0.00 0.03 0.00 0.00 54.97 54.54 2k8q s GLU 56 Cb -0.01 -2.01 0.01 0.00 -0.80 0.00 0.00 34.13 31.32 2k8q s GLU 56 CO 0.05 -0.09 0.45 -0.51 -1.33 0.00 0.00 175.26 173.82 2k8q s LEU 57 N 1.06 3.21 0.02 1.83 1.43 -0.97 -3.66 118.68 121.59 2k8q s LEU 57 Ca -0.04 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 2k8q s LEU 57 Cb -0.15 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2k8q s LEU 57 CO -0.03 -0.85 -0.06 -0.51 0.23 0.00 0.00 176.35 175.12 2k8q s ILE 58 N -2.56 0.47 -0.46 -0.59 2.07 -0.77 -4.20 121.20 115.15 2k8q s ILE 58 Ca 0.47 -0.60 -0.15 0.00 -1.41 0.00 0.00 60.65 58.96 2k8q s ILE 58 Cb -0.04 -0.46 0.07 0.00 0.13 0.00 0.00 42.46 42.16 2k8q s ILE 58 CO 0.28 -0.10 0.38 -0.62 -1.91 0.00 0.00 174.94 172.96 2k8q s ASP 59 N -0.76 6.11 0.00 4.50 2.15 -1.26 -3.60 116.67 123.81 2k8q s ASP 59 Ca -0.03 -1.30 0.00 0.00 0.43 0.00 0.00 52.55 51.64 2k8q s ASP 59 Cb -0.06 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2k8q s ASP 59 CO 0.00 -0.62 0.00 -0.67 -0.17 0.00 0.00 175.17 173.71 2k8q n ASP 60 N 5.18 1.49 0.23 -0.34 2.03 -1.26 -4.99 116.55 118.89 2k8q n ASP 60 Ca -0.12 -0.89 0.09 0.00 0.52 0.00 0.00 54.79 54.39 2k8q n ASP 60 Cb 0.44 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.36 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 0.00 -0.67 -0.00 -2.03 -2.59 114.58 109.29 2k8q h GLU 61 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.23 2k8q h GLU 61 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.73 2k8q h GLU 61 CO 0.00 0.23 -0.63 0.07 -0.00 0.00 0.00 179.01 178.68 2k8q h ARG 62 N 0.00 0.00 -6.66 1.06 -0.00 -1.98 -3.44 114.38 103.36 2k8q h ARG 62 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 59.45 2k8q h ARG 62 Cb 0.61 0.00 0.04 0.00 -0.00 0.00 0.00 29.97 30.62 2k8q h ARG 62 CO 0.03 0.63 0.77 -1.54 -0.00 0.00 0.00 179.97 179.86 2k8q s SER 63 N -6.71 6.70 -0.26 0.08 1.04 -0.98 -4.87 113.70 108.71 2k8q s SER 63 Ca -0.00 2.55 -0.38 0.00 0.48 0.00 0.00 55.95 58.60 2k8q s SER 63 Cb 0.11 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.78 2k8q s SER 63 CO 0.76 -0.70 1.37 0.28 0.98 0.00 0.00 173.24 175.93 2k8q s THR 64 N 0.57 0.00 0.01 2.02 -1.32 -0.76 -4.85 115.64 111.30 2k8q s THR 64 Ca 0.63 -0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.16 2k8q s THR 64 Cb -0.41 -1.11 -0.02 0.00 -1.51 0.00 0.00 72.50 69.45 2k8q s THR 64 CO 0.36 0.00 -0.16 0.00 -2.21 0.00 0.00 174.62 172.61 2k8q s ALA 65 N -2.07 1.37 0.09 11.08 0.00 -1.26 -0.45 121.76 130.51 2k8q s ALA 65 Ca 0.12 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.38 2k8q s ALA 65 Cb -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 2k8q s ALA 65 CO -0.03 0.31 -0.23 -0.65 0.00 0.00 0.00 175.76 175.16 2k8q s GLN 66 N -0.71 1.32 -0.12 0.00 -1.52 -0.05 -4.97 119.66 113.60 2k8q s GLN 66 Ca 0.05 -1.17 -0.22 0.00 -1.95 0.00 0.00 55.36 52.07 2k8q s GLN 66 Cb -0.07 -1.62 -0.03 0.00 -0.22 0.00 0.00 33.01 31.07 2k8q s GLN 66 CO 0.00 0.39 0.68 -0.47 -0.25 0.00 0.00 175.29 175.64 2k8q s TYR 67 N -1.03 3.49 -0.34 0.91 5.04 -1.26 -1.59 117.35 122.57 2k8q s TYR 67 Ca 0.09 1.12 -0.12 0.00 -2.44 0.00 0.00 57.07 55.73 2k8q s TYR 67 Cb -0.10 -2.81 -0.00 0.00 0.35 0.00 0.00 41.96 39.40 2k8q s TYR 67 CO 0.04 -0.02 0.21 -0.51 -1.34 0.00 0.00 175.55 173.92 2k8q s ASP 68 N 0.94 5.83 0.04 4.32 1.01 0.93 -4.94 116.67 124.79 2k8q s ASP 68 Ca 0.34 -0.57 0.09 0.00 0.71 0.00 0.00 52.55 53.12 2k8q s ASP 68 Cb -0.17 -2.07 -0.22 0.00 1.01 0.00 0.00 42.92 41.47 2k8q s ASP 68 CO 0.14 -0.25 0.97 0.77 0.21 0.00 0.00 175.17 177.00 2k8q h SER 69 N 8.44 0.02 -0.25 0.27 4.64 -1.93 0.28 113.55 125.02 2k8q h SER 69 Ca -0.31 -0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.05 2k8q h SER 69 Cb 1.14 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2k8q h SER 69 CO 0.64 1.03 0.24 0.07 -0.87 0.00 0.00 176.83 177.93 2k8q h LYS 70 N 0.00 0.00 0.00 4.77 5.09 -1.94 -2.60 116.57 121.89 2k8q h LYS 70 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.59 2k8q h LYS 70 Cb 1.90 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.23 2k8q h LYS 70 CO 0.11 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 174.00 2k8q n ASP 71 N -3.97 0.57 -2.13 7.07 2.03 -1.24 -4.99 116.55 113.89 2k8q n ASP 71 Ca 0.03 -1.22 -0.14 0.00 0.52 0.00 0.00 54.79 53.98 2k8q n ASP 71 Cb 0.38 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.75 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 -0.11 -1.86 -3.77 -0.67 -0.58 0.79 -4.83 120.64 109.61 2k8q n GLU 72 Ca 0.00 0.74 -0.22 0.00 -0.42 0.00 0.00 57.16 57.26 2k8q n GLU 72 Cb 0.31 -5.25 -0.04 0.00 -0.57 0.00 0.00 31.44 25.88 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 -2.48 2.53 -0.19 0.00 -1.09 0.77 -0.05 121.20 120.69 2k8q s ILE 74 Ca 0.45 -0.87 -0.04 0.00 -2.23 0.00 0.00 60.65 57.95 2k8q s ILE 74 Cb -0.02 -1.99 -0.02 0.00 -1.58 0.00 0.00 42.46 38.85 2k8q s ILE 74 CO 0.26 0.56 -0.02 0.54 -1.23 0.00 0.00 174.94 175.04 2k8q s ASN 75 N 0.05 4.63 -0.16 3.58 2.20 -0.62 -1.07 114.94 123.56 2k8q s ASN 75 Ca -0.08 -0.25 -0.01 0.00 -0.94 0.00 0.00 52.86 51.58 2k8q s ASN 75 Cb -0.15 -1.78 -0.01 0.00 -2.00 0.00 0.00 41.25 37.31 2k8q s ASN 75 CO 0.05 0.06 -0.12 -0.69 -2.94 0.00 0.00 177.10 173.47 2k8q s VAL 76 N 1.00 2.98 -0.07 3.54 1.01 0.42 -0.87 120.40 128.40 2k8q s VAL 76 Ca 0.01 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2k8q s VAL 76 Cb -0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2k8q s VAL 76 CO 0.01 0.50 -0.08 -0.75 0.00 0.00 0.00 175.10 174.78 2k8q s LYS 77 N 0.79 2.76 -0.13 2.72 2.47 0.40 -0.78 119.74 127.97 2k8q s LYS 77 Ca -0.05 -0.58 -0.09 0.00 -1.56 0.00 0.00 55.97 53.69 2k8q s LYS 77 Cb -0.15 -2.56 0.04 0.00 -1.46 0.00 0.00 37.83 33.70 2k8q s LYS 77 CO 0.01 0.62 0.32 0.54 0.16 0.00 0.00 175.35 177.00 2k8q s VAL 78 N -0.70 -0.02 0.37 4.02 0.11 -1.00 -1.83 120.40 121.34 2k8q s VAL 78 Ca 0.11 0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 58.99 2k8q s VAL 78 Cb -0.11 -0.46 -0.10 0.00 -1.53 0.00 0.00 36.38 34.17 2k8q s VAL 78 CO 0.01 0.03 0.92 0.00 -3.33 0.00 0.00 175.10 172.73 2k8q s ALA 79 N 0.75 3.15 0.50 1.54 0.00 -1.24 -0.97 121.76 125.49 2k8q s ALA 79 Ca -0.05 0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.38 2k8q s ALA 79 Cb -0.06 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 19.98 2k8q s ALA 79 CO -0.05 0.17 0.69 -1.59 0.00 0.00 0.00 175.76 174.99 2k8q s LYS 80 N -2.67 2.58 -0.02 0.00 -2.85 -1.26 -1.85 119.74 113.67 2k8q s LYS 80 Ca 0.56 -1.18 0.01 0.00 -1.00 0.00 0.00 55.97 54.36 2k8q s LYS 80 Cb -0.13 -2.64 -0.26 0.00 -2.06 0.00 0.00 37.83 32.74 2k8q s LYS 80 CO 0.18 -0.58 0.74 -0.07 0.10 0.00 0.00 175.35 175.72 2k8q h LEU 81 N 0.32 0.26 -7.82 2.77 3.38 -1.90 -3.44 115.31 108.89 2k8q h LEU 81 Ca -0.39 -0.44 -0.60 0.00 0.09 0.00 0.00 57.88 56.54 2k8q h LEU 81 Cb 1.28 -0.09 -0.37 0.00 0.09 0.00 0.00 40.66 41.58 2k8q h LEU 81 CO 0.46 1.38 -0.82 0.20 0.09 0.00 0.00 178.44 179.74 2k8q s ASN 82 N -6.73 3.03 0.90 -0.43 0.01 -1.26 -5.13 114.94 105.33 2k8q s ASN 82 Ca -0.10 -0.69 -0.11 0.00 -0.71 0.00 0.00 52.86 51.26 2k8q s ASN 82 Cb 0.07 -1.18 0.13 0.00 0.41 0.00 0.00 41.25 40.68 2k8q s ASN 82 CO 0.83 -0.11 1.12 -0.75 -1.51 0.00 0.00 177.10 176.68 2k8q s LYS 83 N 1.46 1.19 -1.39 -0.60 2.20 -1.26 -2.93 119.74 118.40 2k8q s LYS 83 Ca 0.02 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.95 2k8q s LYS 83 Cb -0.15 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.41 2k8q s LYS 83 CO -0.09 -2.43 0.00 0.09 -0.36 0.00 0.00 175.35 172.55 2k8q n ASN 84 N -4.08 -5.26 -4.88 1.43 5.03 -1.21 -4.97 115.26 101.32 2k8q n ASN 84 Ca 0.10 0.32 -0.35 0.00 0.87 0.00 0.00 54.58 55.53 2k8q n ASN 84 Cb 0.53 -3.92 -0.05 0.00 -1.02 0.00 0.00 39.78 35.31 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 -3.03 3.55 0.22 3.52 2.12 -1.15 -4.99 118.70 118.93 2k8q s GLU 85 Ca 0.00 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2k8q s GLU 85 Cb 0.00 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.29 2k8q s GLU 85 CO 0.00 0.67 0.01 2.48 -0.54 0.00 0.00 175.26 177.88 2k8q n TYR 86 N 1.22 0.39 -4.22 5.30 4.11 -1.26 -4.68 117.16 118.01 2k8q n TYR 86 Ca -0.12 -1.05 -0.13 0.00 -0.00 0.00 0.00 57.90 56.59 2k8q n TYR 86 Cb 0.53 -0.15 -0.10 0.00 -0.00 0.00 0.00 39.34 39.62 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 -1.73 1.15 -0.07 -3.48 0.40 -1.26 -5.00 117.98 107.99 2k8q s PHE 87 Ca 0.01 -0.79 0.11 0.00 -0.60 0.00 0.00 56.93 55.66 2k8q s PHE 87 Cb -0.00 -0.61 0.20 0.00 0.51 0.00 0.00 43.02 43.13 2k8q s PHE 87 CO 0.01 0.02 1.10 0.39 0.70 0.00 0.00 175.22 177.43 2k8q n GLU 88 N -0.08 0.66 -0.93 0.44 1.02 -1.26 -4.73 120.64 115.76 2k8q n GLU 88 Ca -0.11 -1.96 0.01 0.00 -0.02 0.00 0.00 57.16 55.08 2k8q n GLU 88 Cb 0.60 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k8q n ASP 89 N -0.62 0.36 -0.53 1.62 9.92 -1.26 -4.81 116.55 121.23 2k8q n ASP 89 Ca 0.09 -1.94 0.10 0.00 -0.53 0.00 0.00 54.79 52.51 2k8q n ASP 89 Cb 0.72 -0.21 0.01 0.00 -0.64 0.00 0.00 41.12 41.01 2k8q n ASP 89 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k8q n LEU 90 N 0.20 2.06 0.04 0.64 4.77 -1.26 -4.18 117.00 119.27 2k8q n LEU 90 Ca 0.01 -0.80 0.11 0.00 -0.03 0.00 0.00 56.01 55.30 2k8q n LEU 90 Cb 0.87 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.02 2k8q n LEU 90 CO -0.02 0.38 0.07 0.47 -1.33 0.00 0.00 177.39 176.96 2k8q n ASP 91 N 0.17 0.64 -4.22 -1.43 9.92 -1.26 -4.16 116.55 116.20 2k8q n ASP 91 Ca 0.09 -0.08 -0.40 0.00 -0.53 0.00 0.00 54.79 53.88 2k8q n ASP 91 Cb 0.45 0.63 -0.10 0.00 -0.64 0.00 0.00 41.12 41.46 2k8q n ASP 91 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k8q s LEU 92 N -4.13 5.29 0.00 0.64 2.01 -1.26 -4.77 118.68 116.46 2k8q s LEU 92 Ca 0.04 -1.71 0.14 0.00 0.01 0.00 0.00 54.13 52.62 2k8q s LEU 92 Cb 0.14 -1.96 0.68 0.00 0.01 0.00 0.00 46.19 45.06 2k8q s LEU 92 CO 0.78 -0.58 1.43 -0.81 1.01 0.00 0.00 176.35 178.18 2k8q n PRO 93 N 4.85 0.11 -0.00 1.29 -0.04 -1.26 -2.17 135.00 137.78 2k8q n PRO 93 Ca -0.08 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 2k8q n PRO 93 Cb 0.42 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.39 0.05 -0.16 0.52 -2.24 -1.26 -4.15 114.28 105.65 2k8q n THR 94 Ca 0.05 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 2k8q n THR 94 Cb 0.14 -0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.94 0.15 -0.78 1.79 -1.79 -2.23 116.57 114.65 2k8q h LYS 95 Ca 0.00 -0.37 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 2k8q h LYS 95 Cb 1.00 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2k8q h LYS 95 CO 0.00 1.03 -0.07 -0.07 -1.08 0.00 0.00 179.45 179.26 2k8q h LEU 96 N 0.79 -0.17 -1.03 2.94 -0.00 -1.76 -3.08 115.31 113.00 2k8q h LEU 96 Ca 0.12 -0.24 0.13 0.00 -0.00 0.00 0.00 57.88 57.89 2k8q h LEU 96 Cb 0.70 0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 41.32 2k8q h LEU 96 CO 0.05 0.16 0.63 -0.07 -0.00 0.00 0.00 178.44 179.21 2k8q h LEU 97 N -0.52 0.89 -1.53 1.67 4.07 -1.71 -3.38 115.31 114.80 2k8q h LEU 97 Ca -0.02 0.05 -0.47 0.00 0.08 0.00 0.00 57.88 57.52 2k8q h LEU 97 Cb 0.40 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 2k8q h LEU 97 CO 0.03 0.46 -0.83 0.00 -1.08 0.00 0.00 178.44 177.02 2k8q n ALA 98 N -2.35 -1.74 -2.75 1.53 0.00 -0.84 -4.92 120.51 109.43 2k8q n ALA 98 Ca 0.19 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 2k8q n ALA 98 Cb 0.39 -2.66 -0.12 0.00 0.00 0.00 0.00 19.45 17.07 2k8q n ALA 98 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k8q s ARG 99 N -6.40 0.72 0.59 0.00 1.70 -1.26 -5.13 118.95 109.17 2k8q s ARG 99 Ca 0.25 -0.86 -0.17 0.00 -0.47 0.00 0.00 55.73 54.48 2k8q s ARG 99 Cb -0.13 -0.65 -0.04 0.00 -0.57 0.00 0.00 34.95 33.56 2k8q s ARG 99 CO 0.85 0.14 1.10 -0.65 -1.08 0.00 0.00 175.30 175.66 2k8q s GLN 100 N -1.62 3.19 0.00 3.89 -0.21 -1.26 -4.88 119.66 118.77 2k8q s GLN 100 Ca -0.04 1.45 0.00 0.00 0.02 0.00 0.00 55.36 56.78 2k8q s GLN 100 Cb -0.10 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.92 2k8q s GLN 100 CO 0.02 -0.95 0.00 0.41 -2.12 0.00 0.00 175.29 172.65 2k8q n GLY 101 N -0.29 -0.27 3.59 3.09 0.00 -1.26 -5.07 105.19 104.98 2k8q n GLY 101 Ca 0.11 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.00 6.50 -0.06 1.61 1.01 -1.26 -4.87 116.67 115.61 2k8q s ASP 102 Ca 0.00 0.41 -0.03 0.00 0.71 0.00 0.00 52.55 53.64 2k8q s ASP 102 Cb 0.00 -2.55 -0.27 0.00 1.01 0.00 0.00 42.92 41.11 2k8q s ASP 102 CO 0.00 -1.38 0.61 -0.07 0.21 0.00 0.00 175.17 174.54 2k8q h LEU 103 N 11.70 0.38 -8.57 1.23 3.38 -1.97 -3.44 115.31 118.01 2k8q h LEU 103 Ca -0.24 -0.68 -0.69 0.00 0.09 0.00 0.00 57.88 56.36 2k8q h LEU 103 Cb 1.07 -0.12 -0.19 0.00 0.09 0.00 0.00 40.66 41.51 2k8q h LEU 103 CO 1.14 1.59 -0.28 0.00 0.09 0.00 0.00 178.44 180.98 2k8q s ALA 104 N -2.59 3.45 0.00 1.53 0.00 -1.26 -4.94 121.76 117.95 2k8q s ALA 104 Ca -0.14 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.31 2k8q s ALA 104 Cb 0.07 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2k8q s ALA 104 CO 0.82 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2k8q n GLY 105 N 5.09 4.41 3.10 0.00 0.00 -1.26 -5.00 105.19 111.53 2k8q n GLY 105 Ca -0.09 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.50 -0.98 -2.41 4.61 0.00 -1.26 -4.95 120.51 114.01 2k8q n ALA 106 Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 2k8q n ALA 106 Cb 0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 19.45 16.66 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 -2.57 5.18 0.20 0.00 -4.77 -1.26 -4.84 116.67 108.60 2k8q s ASP 107 Ca 0.30 -0.59 -0.14 0.00 -3.30 0.00 0.00 52.55 48.82 2k8q s ASP 107 Cb -0.15 -0.83 0.01 0.00 -1.09 0.00 0.00 42.92 40.86 2k8q s ASP 107 CO 0.36 -0.45 0.45 0.00 0.70 0.00 0.00 175.17 176.23 2k8q s ALA 108 N -2.37 -0.48 -0.02 2.11 0.00 -1.26 -5.17 121.76 114.57 2k8q s ALA 108 Ca 0.43 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.81 2k8q s ALA 108 Cb -0.05 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.99 2k8q s ALA 108 CO 0.27 -0.78 -0.04 -0.48 0.00 0.00 0.00 175.76 174.73 2k8q s LEU 109 N -2.94 1.69 -0.17 0.00 2.34 -1.26 -5.05 118.68 113.29 2k8q s LEU 109 Ca 0.15 -0.08 -0.04 0.00 0.06 0.00 0.00 54.13 54.22 2k8q s LEU 109 Cb 0.00 -0.28 0.08 0.00 -0.56 0.00 0.00 46.19 45.44 2k8q s LEU 109 CO 0.01 0.00 0.22 0.42 -1.06 0.00 0.00 176.35 175.94 2k8q s THR 110 N 0.34 -0.33 -0.47 5.48 -4.23 -1.26 -5.11 115.64 110.06 2k8q s THR 110 Ca -0.04 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.23 2k8q s THR 110 Cb -0.07 -0.57 0.02 0.00 1.34 0.00 0.00 72.50 73.22 2k8q s THR 110 CO -0.00 -0.08 1.33 -0.70 -0.54 0.00 0.00 174.62 174.62 2k8q s GLU 111 N 2.34 3.56 -0.12 3.99 2.12 -1.26 -4.99 118.70 124.34 2k8q s GLU 111 Ca 0.05 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.10 2k8q s GLU 111 Cb -0.14 -4.01 0.02 0.00 0.26 0.00 0.00 34.13 30.26 2k8q s GLU 111 CO -0.10 -1.59 -0.10 -0.80 -0.54 0.00 0.00 175.26 172.12 2k8q s ASN 112 N 3.59 2.32 0.17 -1.70 0.01 -1.26 -5.13 114.94 112.93 2k8q s ASN 112 Ca 0.55 -0.37 -0.21 0.00 -0.71 0.00 0.00 52.86 52.13 2k8q s ASN 112 Cb -0.11 -0.96 -0.08 0.00 0.41 0.00 0.00 41.25 40.52 2k8q s ASN 112 CO 0.31 -0.08 0.69 0.28 -1.51 0.00 0.00 177.10 176.79 2k8q s THR 113 N 1.51 4.57 0.18 1.60 -1.32 -1.26 -5.08 115.64 115.85 2k8q s THR 113 Ca 0.03 1.35 0.04 0.00 -1.21 0.00 0.00 61.69 61.89 2k8q s THR 113 Cb -0.13 -3.93 -0.05 0.00 -1.51 0.00 0.00 72.50 66.88 2k8q s THR 113 CO -0.08 0.37 -0.05 -0.62 -2.21 0.00 0.00 174.62 172.04 2k8q s ASP 114 N -1.40 1.72 0.58 8.08 2.15 -1.26 -5.17 116.67 121.37 2k8q s ASP 114 Ca 0.38 -1.12 0.07 0.00 0.43 0.00 0.00 52.55 52.31 2k8q s ASP 114 Cb -0.19 0.02 0.08 0.00 -0.30 0.00 0.00 42.92 42.53 2k8q s ASP 114 CO 0.22 -0.44 0.80 0.00 -0.17 0.00 0.00 175.17 175.57 2k8q s ALA 115 N -3.42 4.48 0.30 3.66 0.00 -1.26 -5.14 121.76 120.38 2k8q s ALA 115 Ca 0.22 -1.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.13 2k8q s ALA 115 Cb 0.04 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2k8q s ALA 115 CO 0.04 -0.88 0.48 -1.59 0.00 0.00 0.00 175.76 173.82 2k8q s LYS 116 N -4.71 1.74 0.42 0.00 0.00 -1.26 -5.18 119.74 110.75 2k8q s LYS 116 Ca 0.61 -1.50 0.08 0.00 0.00 0.00 0.00 55.97 55.16 2k8q s LYS 116 Cb -0.06 0.46 -0.02 0.00 0.00 0.00 0.00 37.83 38.21 2k8q s LYS 116 CO 0.39 -0.73 0.37 0.15 0.00 0.00 0.00 175.35 175.53 2k8q s LYS 117 N -3.47 2.49 0.29 1.78 1.02 -1.26 -5.14 119.74 115.45 2k8q s LYS 117 Ca 0.26 -1.59 0.06 0.00 0.02 0.00 0.00 55.97 54.73 2k8q s LYS 117 Cb -0.01 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2k8q s LYS 117 CO 0.14 -0.22 0.34 -0.08 -0.92 0.00 0.00 175.35 174.62 2k8q s THR 118 N -2.50 4.43 -0.27 2.17 -1.32 -1.26 -5.11 115.64 111.79 2k8q s THR 118 Ca 0.47 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 2k8q s THR 118 Cb -0.03 -3.51 0.08 0.00 -1.51 0.00 0.00 72.50 67.53 2k8q s THR 118 CO 0.27 -0.26 0.01 0.00 -2.21 0.00 0.00 174.62 172.44 2k8q s GLN 119 N -4.01 1.25 -0.53 7.08 -2.07 -1.26 -5.03 119.66 115.10 2k8q s GLN 119 Ca 0.38 -1.08 0.07 0.00 -1.82 0.00 0.00 55.36 52.91 2k8q s GLN 119 Cb -0.08 -2.48 0.26 0.00 -1.09 0.00 0.00 33.01 29.62 2k8q s GLN 119 CO 0.28 -0.76 0.67 0.36 -1.32 0.00 0.00 175.29 174.53 2k8q n LYS 120 N 4.69 1.82 -1.02 9.60 2.85 -1.26 -5.11 118.16 129.73 2k8q n LYS 120 Ca -0.07 -4.08 -0.30 0.00 -1.05 0.00 0.00 58.31 52.82 2k8q n LYS 120 Cb 0.44 -1.84 0.25 0.00 -0.65 0.00 0.00 35.03 33.23 2k8q n LYS 120 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2k8q n PRO 121 N 0.97 -3.13 -3.70 -1.58 -0.04 -1.26 -5.08 135.00 121.18 2k8q n PRO 121 Ca 0.26 -1.73 -0.15 0.00 -0.04 0.00 0.00 63.50 61.85 2k8q n PRO 121 Cb 0.47 -1.62 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.19 -0.21 1.53 1.98 -1.26 -5.13 118.68 115.78 2k8q s LEU 122 Ca 0.70 0.37 0.00 0.00 -2.89 0.00 0.00 54.13 52.32 2k8q s LEU 122 Cb -0.07 0.40 0.05 0.00 0.66 0.00 0.00 46.19 47.23 2k8q s LEU 122 CO 0.54 -0.21 -0.06 -0.63 -1.89 0.00 0.00 176.35 174.10 2k8q s ILE 123 N 1.86 1.45 -0.66 6.68 1.01 -1.26 -4.97 121.20 125.31 2k8q s ILE 123 Ca -0.02 -1.05 0.16 0.00 0.00 0.00 0.00 60.65 59.73 2k8q s ILE 123 Cb -0.12 -1.67 0.59 0.00 0.01 0.00 0.00 42.46 41.27 2k8q s ILE 123 CO -0.06 -0.01 1.50 0.00 0.00 0.00 0.00 174.94 176.37 2k8q n GLN 124 N 4.72 3.45 -2.61 2.79 10.64 -1.26 -4.98 117.38 130.13 2k8q n GLN 124 Ca -0.13 -2.74 -0.42 0.00 -1.83 0.00 0.00 57.00 51.88 2k8q n GLN 124 Cb 0.45 -1.80 -0.03 0.00 -0.86 0.00 0.00 30.24 28.00 2k8q n GLN 124 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2k8q s GLU 125 N -2.12 4.52 -0.72 2.61 0.41 -1.26 -4.96 118.70 117.17 2k8q s GLU 125 Ca 0.43 1.54 0.02 0.00 -0.41 0.00 0.00 54.97 56.55 2k8q s GLU 125 Cb 0.30 -3.42 0.36 0.00 -1.78 0.00 0.00 34.13 29.60 2k8q s GLU 125 CO 0.17 -0.12 1.53 0.28 -0.49 0.00 0.00 175.26 176.63 2k8q n VAL 126 N 3.88 3.67 -2.11 2.63 0.31 -1.26 -4.49 118.33 120.96 2k8q n VAL 126 Ca 0.07 -5.07 0.00 0.00 -0.01 0.00 0.00 64.34 59.34 2k8q n VAL 126 Cb 0.49 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2k8q n VAL 126 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2k8q n GLU 127 N -0.37 0.00 -3.10 5.55 4.07 -1.26 -5.10 120.64 120.43 2k8q n GLU 127 Ca 0.44 -1.06 -0.39 0.00 -0.06 0.00 0.00 57.16 56.09 2k8q n GLU 127 Cb 0.39 -0.26 -0.06 0.00 -0.06 0.00 0.00 31.44 31.46 2k8q n GLU 127 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2k8q s THR 128 N 0.00 4.69 0.06 6.31 -1.32 -1.26 -5.07 115.64 119.04 2k8q s THR 128 Ca 0.07 1.46 0.07 0.00 -1.21 0.00 0.00 61.69 62.08 2k8q s THR 128 Cb 0.08 -4.03 -0.03 0.00 -1.51 0.00 0.00 72.50 67.01 2k8q s THR 128 CO -0.04 0.46 -0.16 -1.81 -2.21 0.00 0.00 174.62 170.86 2k8q s ASP 129 N -0.58 3.94 -0.43 8.08 1.01 -1.26 -5.09 116.67 122.34 2k8q s ASP 129 Ca 0.34 -0.42 0.05 0.00 0.71 0.00 0.00 52.55 53.23 2k8q s ASP 129 Cb -0.20 -0.66 0.19 0.00 1.01 0.00 0.00 42.92 43.26 2k8q s ASP 129 CO 0.21 0.24 0.46 0.61 0.21 0.00 0.00 175.17 176.90 2k8q n GLY 130 N 1.33 1.68 3.60 0.21 0.00 -1.26 -5.13 105.19 105.62 2k8q n GLY 130 Ca -0.16 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 2k8q n GLY 130 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k8q n VAL 131 N 2.57 2.37 -2.32 1.61 3.14 -1.26 -4.99 118.33 119.46 2k8q n VAL 131 Ca 0.26 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.88 2k8q n VAL 131 Cb 0.51 -1.10 0.13 0.00 -1.06 0.00 0.00 33.84 32.31 2k8q n VAL 131 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2k8q s SER 132 N -0.74 4.04 -0.06 6.55 0.15 -1.26 -5.06 113.70 117.33 2k8q s SER 132 Ca 0.63 -0.03 -0.02 0.00 0.70 0.00 0.00 55.95 57.23 2k8q s SER 132 Cb -0.57 -0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 63.44 2k8q s SER 132 CO 0.57 -2.09 0.10 0.78 1.20 0.00 0.00 173.24 173.80 2k8q h ASN 133 N -0.88 -0.05 -0.02 5.45 2.35 -2.09 -3.57 115.58 116.76 2k8q h ASN 133 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2k8q h ASN 133 Cb 1.26 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2k8q h ASN 133 CO 0.43 0.26 0.00 -0.46 -1.65 0.00 0.00 177.43 176.00