#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8q n ILE 2 N 0.00 1.62 -1.64 -0.61 5.41 -1.24 -4.94 119.36 117.96 2k8q n ILE 2 Ca 0.00 -0.77 -0.40 0.00 1.00 0.00 0.00 62.75 62.58 2k8q n ILE 2 Cb 0.00 -1.12 0.02 0.00 -0.71 0.00 0.00 39.64 37.83 2k8q n ILE 2 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k8q n THR 3 N -3.11 2.88 -0.02 1.39 5.66 -1.26 -4.94 114.28 114.88 2k8q n THR 3 Ca -0.22 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.15 2k8q n THR 3 Cb 1.06 -1.27 -0.09 0.00 -1.55 0.00 0.00 70.33 68.47 2k8q n THR 3 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2k8q h PRO 4 N 1.36 0.07 -2.77 1.09 0.13 -1.92 -3.47 132.00 126.49 2k8q h PRO 4 Ca -0.47 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 2k8q h PRO 4 Cb 1.33 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.25 2k8q h PRO 4 CO 0.56 0.54 -0.19 1.03 -0.23 0.00 0.00 178.00 179.70 2k8q s ARG 5 N -4.24 0.65 -0.25 0.86 3.00 -1.25 -5.09 118.95 112.63 2k8q s ARG 5 Ca -0.16 0.17 -0.19 0.00 0.00 0.00 0.00 55.73 55.56 2k8q s ARG 5 Cb 0.02 0.30 0.07 0.00 0.00 0.00 0.00 34.95 35.34 2k8q s ARG 5 CO 0.69 -0.15 0.64 -0.59 0.00 0.00 0.00 175.30 175.88 2k8q s PHE 6 N -0.70 -0.81 -0.03 -0.53 -0.71 -1.26 -0.93 117.98 113.02 2k8q s PHE 6 Ca -0.08 1.82 0.06 0.00 -1.04 0.00 0.00 56.93 57.69 2k8q s PHE 6 Cb -0.04 0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 42.13 2k8q s PHE 6 CO 0.04 -0.40 -0.20 -1.12 -1.34 0.00 0.00 175.22 172.19 2k8q s SER 7 N 0.86 2.39 -0.01 1.98 0.01 0.61 -4.98 113.70 114.56 2k8q s SER 7 Ca -0.04 -0.38 0.03 0.00 1.31 0.00 0.00 55.95 56.88 2k8q s SER 7 Cb -0.05 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.76 2k8q s SER 7 CO -0.07 0.23 -0.09 -0.63 0.41 0.00 0.00 173.24 173.08 2k8q s ILE 8 N -0.33 3.46 0.05 1.44 1.01 -1.26 0.19 121.20 125.76 2k8q s ILE 8 Ca 0.04 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.97 2k8q s ILE 8 Cb -0.09 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 2k8q s ILE 8 CO 0.00 0.44 -0.17 -0.89 0.00 0.00 0.00 174.94 174.33 2k8q s THR 9 N -0.92 1.33 -0.00 2.92 2.01 0.82 -4.91 115.64 116.89 2k8q s THR 9 Ca 0.15 -1.15 0.03 0.00 0.31 0.00 0.00 61.69 61.03 2k8q s THR 9 Cb -0.11 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2k8q s THR 9 CO 0.05 0.03 -0.07 0.00 -0.69 0.00 0.00 174.62 173.94 2k8q s GLN 10 N -1.31 2.56 0.36 4.92 -2.07 -1.26 -1.12 119.66 121.74 2k8q s GLN 10 Ca 0.03 -0.71 0.03 0.00 -1.82 0.00 0.00 55.36 52.89 2k8q s GLN 10 Cb -0.09 -2.50 -0.04 0.00 -1.09 0.00 0.00 33.01 29.29 2k8q s GLN 10 CO 0.02 0.61 0.09 -0.51 -1.32 0.00 0.00 175.29 174.18 2k8q s ASP 11 N -1.38 2.50 -0.05 12.60 1.01 -0.73 -4.94 116.67 125.67 2k8q s ASP 11 Ca 0.17 -1.52 0.10 0.00 0.71 0.00 0.00 52.55 52.01 2k8q s ASP 11 Cb -0.11 0.22 0.36 0.00 1.01 0.00 0.00 42.92 44.40 2k8q s ASP 11 CO 0.07 -0.77 1.22 -1.84 0.21 0.00 0.00 175.17 174.06 2k8q n GLU 12 N -0.78 2.30 0.00 8.23 0.00 -1.26 -4.15 120.64 124.98 2k8q n GLU 12 Ca -0.04 -1.44 0.00 0.00 0.00 0.00 0.00 57.16 55.68 2k8q n GLU 12 Cb 0.66 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.57 2k8q n GLU 12 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2k8q n GLU 13 N 0.48 0.00 -3.14 3.44 0.28 -1.26 -2.11 120.64 118.34 2k8q n GLU 13 Ca 0.13 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.06 2k8q n GLU 13 Cb 0.48 -0.53 0.02 0.00 1.43 0.00 0.00 31.44 32.83 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 -1.69 -1.96 -4.27 -1.84 -1.74 -1.26 -4.28 117.46 100.42 2k8q n PHE 14 Ca 0.00 -1.45 -0.34 0.00 -0.56 0.00 0.00 57.45 55.09 2k8q n PHE 14 Cb 0.07 0.68 -0.09 0.00 1.52 0.00 0.00 39.48 41.66 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 -2.36 4.44 -0.26 1.97 -1.09 0.31 -1.78 121.20 122.43 2k8q s ILE 15 Ca 0.13 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.27 2k8q s ILE 15 Cb -0.03 -2.92 0.06 0.00 -1.58 0.00 0.00 42.46 37.99 2k8q s ILE 15 CO 0.10 0.52 -0.08 0.12 -1.23 0.00 0.00 174.94 174.37 2k8q s PHE 16 N -0.99 3.13 -0.25 3.97 5.36 -0.27 -2.12 117.98 126.81 2k8q s PHE 16 Ca 0.16 -2.28 -0.12 0.00 -0.96 0.00 0.00 56.93 53.73 2k8q s PHE 16 Cb -0.12 -1.96 -0.05 0.00 -0.34 0.00 0.00 43.02 40.55 2k8q s PHE 16 CO 0.06 -0.87 0.21 -1.17 -1.46 0.00 0.00 175.22 172.00 2k8q s LEU 17 N 1.14 4.10 -0.11 6.12 2.96 0.25 -0.13 118.68 133.02 2k8q s LEU 17 Ca -0.06 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2k8q s LEU 17 Cb -0.20 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 2k8q s LEU 17 CO -0.06 0.00 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.16 2k8q s LYS 18 N 1.31 3.18 -0.13 1.98 2.20 0.13 -0.30 119.74 128.11 2k8q s LYS 18 Ca 0.10 -0.56 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2k8q s LYS 18 Cb -0.14 -2.71 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 2k8q s LYS 18 CO 0.07 0.44 -0.16 0.42 -0.36 0.00 0.00 175.35 175.75 2k8q s ILE 19 N -0.21 1.67 -0.37 5.43 1.09 -0.30 -0.29 121.20 128.22 2k8q s ILE 19 Ca 0.03 -0.72 -0.22 0.00 -1.10 0.00 0.00 60.65 58.63 2k8q s ILE 19 Cb -0.13 -1.53 0.01 0.00 -1.06 0.00 0.00 42.46 39.75 2k8q s ILE 19 CO 0.03 0.47 0.72 -0.36 -0.10 0.00 0.00 174.94 175.70 2k8q s PHE 20 N 1.15 3.11 0.27 3.97 0.08 -0.10 -1.46 117.98 124.99 2k8q s PHE 20 Ca -0.02 0.41 0.02 0.00 0.12 0.00 0.00 56.93 57.47 2k8q s PHE 20 Cb -0.14 -3.32 -0.01 0.00 -0.57 0.00 0.00 43.02 38.98 2k8q s PHE 20 CO -0.06 -0.72 0.30 0.44 -0.10 0.00 0.00 175.22 175.08 2k8q n ILE 21 N 5.75 0.00 -3.97 0.64 -5.35 -1.25 -3.87 119.36 111.31 2k8q n ILE 21 Ca 0.01 -1.65 -0.08 0.00 -0.27 0.00 0.00 62.75 60.76 2k8q n ILE 21 Cb 0.48 0.90 -0.01 0.00 -1.74 0.00 0.00 39.64 39.27 2k8q n ILE 21 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2k8q n SER 22 N -1.86 2.02 -3.63 7.28 2.88 -1.25 -4.34 113.62 114.71 2k8q n SER 22 Ca 0.03 -1.56 -0.41 0.00 -1.33 0.00 0.00 58.87 55.60 2k8q n SER 22 Cb 0.46 0.05 0.02 0.00 -0.75 0.00 0.00 64.21 64.00 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 -1.43 7.37 -4.15 -3.46 2.04 -1.26 -4.90 115.26 109.47 2k8q n ASN 23 Ca -0.04 -3.69 -0.29 0.00 -0.44 0.00 0.00 54.58 50.12 2k8q n ASN 23 Cb 0.17 -1.17 -0.17 0.00 -2.53 0.00 0.00 39.78 36.09 2k8q n ASN 23 CO 0.00 0.00 0.00 0.27 -0.44 0.00 0.00 177.26 177.09 2k8q s ILE 24 N -4.35 1.68 -2.10 1.53 -4.36 -1.26 -4.67 121.20 107.67 2k8q s ILE 24 Ca 0.39 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.97 2k8q s ILE 24 Cb 0.19 -1.46 0.00 0.00 1.25 0.00 0.00 42.46 42.44 2k8q s ILE 24 CO -0.13 0.48 0.00 0.54 0.24 0.00 0.00 174.94 176.06 2k8q n ARG 25 N 3.48 -1.43 -2.94 0.37 3.00 -1.26 -4.84 116.66 113.03 2k8q n ARG 25 Ca -0.20 1.17 -0.44 0.00 -0.01 0.00 0.00 57.85 58.37 2k8q n ARG 25 Cb 0.52 -5.54 -0.01 0.00 0.00 0.00 0.00 32.46 27.43 2k8q n ARG 25 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2k8q s PHE 26 N -2.68 3.29 -0.64 -1.55 5.36 -1.26 -4.67 117.98 115.84 2k8q s PHE 26 Ca 0.00 -1.73 0.25 0.00 -0.96 0.00 0.00 56.93 54.49 2k8q s PHE 26 Cb 0.00 -4.29 0.67 0.00 -0.34 0.00 0.00 43.02 39.06 2k8q s PHE 26 CO 0.00 -1.44 1.73 1.03 -1.46 0.00 0.00 175.22 175.07 2k8q h SER 27 N 8.08 0.00 -1.69 6.13 0.87 -2.00 -3.47 113.55 121.48 2k8q h SER 27 Ca 0.23 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.40 2k8q h SER 27 Cb 0.96 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.82 2k8q h SER 27 CO 1.16 0.00 -0.42 0.00 -0.53 0.00 0.00 176.83 177.05 2k8q n ALA 28 N -1.88 -0.41 -0.02 6.23 0.00 -1.26 -4.81 120.51 118.35 2k8q n ALA 28 Ca 0.05 0.25 -0.03 0.00 0.00 0.00 0.00 53.44 53.71 2k8q n ALA 28 Cb 0.46 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 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 -3.10 0.27 0.93 0.00 0.31 -1.26 -4.64 118.33 110.83 2k8q n VAL 29 Ca -0.21 -0.14 0.13 0.00 -0.01 0.00 0.00 64.34 64.11 2k8q n VAL 29 Cb 0.65 -0.80 0.39 0.00 -0.91 0.00 0.00 33.84 33.17 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 2.98 -1.39 3.66 2.92 0.00 -1.26 -4.90 105.19 107.20 2k8q n GLY 30 Ca -0.07 -0.22 -0.52 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.62 2.50 -2.76 0.99 4.77 -1.26 -4.79 117.00 114.83 2k8q n LEU 31 Ca 0.06 1.07 -0.01 0.00 -0.03 0.00 0.00 56.01 57.09 2k8q n LEU 31 Cb 0.36 -1.25 0.02 0.00 -2.33 0.00 0.00 43.42 40.21 2k8q n LEU 31 CO 0.32 -0.52 0.40 -0.70 -1.33 0.00 0.00 177.39 175.56 2k8q s GLU 32 N 2.21 0.36 -0.05 3.23 2.56 -1.26 -4.99 118.70 120.76 2k8q s GLU 32 Ca 0.89 -0.28 -0.22 0.00 0.00 0.00 0.00 54.97 55.37 2k8q s GLU 32 Cb -0.89 0.00 -0.04 0.00 2.00 0.00 0.00 34.13 35.20 2k8q s GLU 32 CO 0.52 -0.47 0.64 0.42 -0.56 0.00 0.00 175.26 175.81 2k8q s ILE 33 N 1.35 5.00 0.12 -3.70 1.01 -1.26 -4.36 121.20 119.36 2k8q s ILE 33 Ca 0.21 1.32 0.08 0.00 0.00 0.00 0.00 60.65 62.26 2k8q s ILE 33 Cb 0.07 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2k8q s ILE 33 CO -0.11 0.32 -0.19 0.27 0.00 0.00 0.00 174.94 175.24 2k8q s ILE 34 N 0.39 1.63 -0.15 2.92 -5.25 -1.06 -4.97 121.20 114.70 2k8q s ILE 34 Ca 0.34 -1.63 -0.04 0.00 -0.99 0.00 0.00 60.65 58.33 2k8q s ILE 34 Cb -0.18 -1.57 -0.03 0.00 2.95 0.00 0.00 42.46 43.63 2k8q s ILE 34 CO 0.17 -0.18 -0.04 -0.63 -1.79 0.00 0.00 174.94 172.47 2k8q s ILE 35 N -1.51 3.90 0.16 8.37 1.09 -1.26 -0.82 121.20 131.13 2k8q s ILE 35 Ca 0.08 -0.36 -0.03 0.00 -1.10 0.00 0.00 60.65 59.25 2k8q s ILE 35 Cb -0.08 -2.71 0.04 0.00 -1.06 0.00 0.00 42.46 38.65 2k8q s ILE 35 CO 0.04 0.49 0.18 0.00 -0.10 0.00 0.00 174.94 175.56 2k8q n GLN 36 N 3.52 -0.76 -0.29 2.79 1.13 0.98 -4.70 117.38 120.03 2k8q n GLN 36 Ca -0.17 -0.28 0.19 0.00 -1.94 0.00 0.00 57.00 54.79 2k8q n GLN 36 Cb 0.52 -0.22 0.47 0.00 0.11 0.00 0.00 30.24 31.12 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 0.47 0.00 -1.09 4.11 -2.00 -3.39 114.58 112.68 2k8q h GLU 37 Ca -0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.34 2k8q h GLU 37 Cb 0.18 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2k8q h GLU 37 CO 0.04 0.31 -0.03 0.27 0.07 0.00 0.00 179.01 179.67 2k8q n ASN 38 N -4.59 -0.00 -4.43 3.06 6.94 -1.26 -4.22 115.26 110.75 2k8q n ASN 38 Ca 0.22 0.02 -0.29 0.00 -0.02 0.00 0.00 54.58 54.50 2k8q n ASN 38 Cb 0.72 0.01 0.17 0.00 -2.36 0.00 0.00 39.78 38.32 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 0.51 -0.04 -3.83 0.23 -1.26 -2.49 119.30 110.42 2k8q s MET 39 Ca 0.00 0.06 0.06 0.00 -1.03 0.00 0.00 55.69 54.79 2k8q s MET 39 Cb 0.00 -1.79 -0.01 0.00 -1.53 0.00 0.00 34.83 31.50 2k8q s MET 39 CO 0.00 -2.58 -0.24 0.42 -2.03 0.00 0.00 175.02 170.59 2k8q s ILE 40 N -3.35 1.93 -0.24 3.16 1.01 -0.26 -0.02 121.20 123.43 2k8q s ILE 40 Ca 0.68 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 2k8q s ILE 40 Cb -0.11 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 2k8q s ILE 40 CO 0.54 0.54 0.03 -0.63 0.00 0.00 0.00 174.94 175.42 2k8q s ILE 41 N -0.31 3.99 -0.50 2.92 -1.09 -0.00 -1.60 121.20 124.62 2k8q s ILE 41 Ca 0.02 -0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 57.99 2k8q s ILE 41 Cb -0.12 -2.85 0.08 0.00 -1.58 0.00 0.00 42.46 37.99 2k8q s ILE 41 CO 0.02 0.37 0.47 0.12 -1.23 0.00 0.00 174.94 174.68 2k8q s PHE 42 N 1.56 3.20 -0.16 3.97 5.36 0.12 -2.57 117.98 129.45 2k8q s PHE 42 Ca 0.06 -0.92 0.21 0.00 -0.96 0.00 0.00 56.93 55.32 2k8q s PHE 42 Cb -0.15 -3.38 -0.31 0.00 -0.34 0.00 0.00 43.02 38.85 2k8q s PHE 42 CO 0.01 -0.90 0.52 1.58 -1.46 0.00 0.00 175.22 174.97 2k8q n HIS 43 N 5.44 0.00 -1.11 10.12 -0.00 -1.26 -1.50 115.22 126.91 2k8q n HIS 43 Ca -0.12 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.71 2k8q n HIS 43 Cb 0.43 -0.41 0.08 0.00 -0.12 0.00 0.00 29.99 29.97 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 -2.12 -0.19 -1.42 0.27 0.00 -1.26 -4.71 117.00 107.57 2k8q n LEU 44 Ca -0.03 0.49 0.18 0.00 0.00 0.00 0.00 56.01 56.65 2k8q n LEU 44 Cb 0.51 -1.16 -0.08 0.00 0.00 0.00 0.00 43.42 42.69 2k8q n LEU 44 CO 0.44 -3.56 -0.51 -1.20 0.00 0.00 0.00 177.39 172.55 2k8q n SER 45 N -0.17 -8.25 0.00 1.96 7.64 -1.26 -4.15 113.62 109.40 2k8q n SER 45 Ca 0.08 1.16 0.07 0.00 1.01 0.00 0.00 58.87 61.19 2k8q n SER 45 Cb 0.51 -4.69 0.39 0.00 -1.01 0.00 0.00 64.21 59.42 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 -4.29 0.26 -4.43 1.43 -0.04 -1.26 -4.63 135.00 122.04 2k8q n PRO 46 Ca -0.06 0.12 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 2k8q n PRO 46 Cb 0.67 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.50 2k8q n PRO 46 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2k8q s TYR 47 N -2.46 2.98 -0.14 0.54 2.02 -1.26 -5.10 117.35 113.93 2k8q s TYR 47 Ca 0.16 -0.41 -0.16 0.00 -0.37 0.00 0.00 57.07 56.29 2k8q s TYR 47 Cb 0.10 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2k8q s TYR 47 CO 0.22 -0.11 0.38 -0.47 -1.57 0.00 0.00 175.55 173.99 2k8q s TYR 48 N 0.46 3.49 0.02 2.71 6.14 -1.26 -4.64 117.35 124.27 2k8q s TYR 48 Ca -0.05 0.74 0.05 0.00 0.64 0.00 0.00 57.07 58.45 2k8q s TYR 48 Cb -0.15 -2.43 -0.02 0.00 0.42 0.00 0.00 41.96 39.79 2k8q s TYR 48 CO 0.03 0.22 -0.15 -1.17 0.64 0.00 0.00 175.55 175.13 2k8q s LEU 49 N 0.48 2.12 -0.09 6.97 1.98 -0.56 -3.65 118.68 125.93 2k8q s LEU 49 Ca 0.21 -0.38 0.04 0.00 -2.89 0.00 0.00 54.13 51.11 2k8q s LEU 49 Cb -0.14 -0.68 -0.01 0.00 0.66 0.00 0.00 46.19 46.02 2k8q s LEU 49 CO 0.07 0.10 -0.23 -0.60 -1.89 0.00 0.00 176.35 173.80 2k8q s ARG 50 N -0.83 2.89 -0.21 1.98 3.52 -1.26 -0.71 118.95 124.33 2k8q s ARG 50 Ca 0.04 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.79 2k8q s ARG 50 Cb -0.07 -2.29 0.03 0.00 -1.56 0.00 0.00 34.95 31.06 2k8q s ARG 50 CO 0.01 0.28 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.10 2k8q s LEU 51 N 0.11 2.57 -0.37 -0.88 1.43 -0.63 -3.67 118.68 117.25 2k8q s LEU 51 Ca -0.11 -0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 52.07 2k8q s LEU 51 Cb -0.16 -1.51 0.08 0.00 0.03 0.00 0.00 46.19 44.63 2k8q s LEU 51 CO 0.06 -0.06 0.15 -0.60 0.23 0.00 0.00 176.35 176.13 2k8q s ARG 52 N 1.24 2.33 0.23 1.70 3.00 -1.01 -1.10 118.95 125.34 2k8q s ARG 52 Ca 0.01 -1.51 -0.01 0.00 -1.00 0.00 0.00 55.73 53.22 2k8q s ARG 52 Cb -0.15 -3.50 -0.04 0.00 0.00 0.00 0.00 34.95 31.25 2k8q s ARG 52 CO -0.10 -0.87 0.44 -0.06 0.00 0.00 0.00 175.30 174.70 2k8q s PHE 53 N 1.27 3.48 -1.16 5.12 0.08 -1.26 -4.31 117.98 121.20 2k8q s PHE 53 Ca 0.02 0.40 0.14 0.00 0.12 0.00 0.00 56.93 57.61 2k8q s PHE 53 Cb -0.22 -1.90 0.66 0.00 -0.57 0.00 0.00 43.02 40.99 2k8q s PHE 53 CO -0.01 0.32 1.44 -0.35 -0.10 0.00 0.00 175.22 176.51 2k8q n PRO 54 N -0.82 0.08 -2.53 0.24 -0.04 -1.26 -4.76 135.00 125.90 2k8q n PRO 54 Ca -0.04 0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 2k8q n PRO 54 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 2k8q n PRO 54 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2k8q n HIS 55 N -1.42 -0.51 -4.07 0.54 8.25 -1.26 -5.14 115.22 111.61 2k8q n HIS 55 Ca 0.05 -0.79 -0.30 0.00 -0.26 0.00 0.00 57.72 56.42 2k8q n HIS 55 Cb 0.15 -0.13 -0.16 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 -2.68 2.32 0.64 -0.41 -1.05 -1.26 -4.59 118.70 111.67 2k8q s GLU 56 Ca 0.06 -0.57 0.06 0.00 -0.15 0.00 0.00 54.97 54.37 2k8q s GLU 56 Cb -0.00 -2.10 0.12 0.00 -0.44 0.00 0.00 34.13 31.70 2k8q s GLU 56 CO 0.04 -0.22 0.88 1.28 0.95 0.00 0.00 175.26 178.19 2k8q n LEU 57 N 4.71 0.00 -3.92 1.83 4.77 -1.04 -3.61 117.00 119.74 2k8q n LEU 57 Ca -0.17 -2.34 -0.11 0.00 -0.03 0.00 0.00 56.01 53.35 2k8q n LEU 57 Cb 0.50 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.95 2k8q n LEU 57 CO 0.22 -0.82 -0.36 -0.51 -1.33 0.00 0.00 177.39 174.58 2k8q s ILE 58 N -2.79 0.09 -0.58 -0.08 2.07 -0.66 -4.41 121.20 114.84 2k8q s ILE 58 Ca 0.63 -0.34 -0.14 0.00 -1.41 0.00 0.00 60.65 59.39 2k8q s ILE 58 Cb -0.04 -0.14 0.14 0.00 0.13 0.00 0.00 42.46 42.55 2k8q s ILE 58 CO 0.41 -0.16 0.51 -0.62 -1.91 0.00 0.00 174.94 173.17 2k8q s ASP 59 N -0.51 6.17 0.19 4.50 2.15 -1.26 -3.67 116.67 124.23 2k8q s ASP 59 Ca -0.05 -1.99 0.01 0.00 0.43 0.00 0.00 52.55 50.94 2k8q s ASP 59 Cb -0.04 -2.16 0.01 0.00 -0.30 0.00 0.00 42.92 40.43 2k8q s ASP 59 CO -0.00 -0.77 0.08 0.47 -0.17 0.00 0.00 175.17 174.78 2k8q n ASP 60 N 4.92 2.06 0.07 -0.34 9.92 -1.26 -4.99 116.55 126.94 2k8q n ASP 60 Ca -0.08 -1.76 0.03 0.00 -0.53 0.00 0.00 54.79 52.46 2k8q n ASP 60 Cb 0.41 0.06 0.41 0.00 -0.64 0.00 0.00 41.12 41.36 2k8q n ASP 60 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2k8q h GLU 61 N 0.00 0.37 -0.40 -1.24 5.08 -2.03 -2.15 114.58 114.21 2k8q h GLU 61 Ca -0.14 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 2k8q h GLU 61 Cb 0.47 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2k8q h GLU 61 CO 0.23 0.36 -0.09 0.07 -1.00 0.00 0.00 179.01 178.58 2k8q h ARG 62 N 0.37 0.69 -6.70 2.33 -0.00 -1.98 -3.43 114.38 105.66 2k8q h ARG 62 Ca 0.09 -0.21 -0.53 0.00 -0.00 0.00 0.00 59.98 59.33 2k8q h ARG 62 Cb 0.17 -0.07 0.05 0.00 -0.00 0.00 0.00 29.97 30.13 2k8q h ARG 62 CO -0.00 0.77 0.80 -1.12 -0.00 0.00 0.00 179.97 180.41 2k8q s SER 63 N -6.71 6.63 -0.22 0.08 0.01 -0.81 -4.90 113.70 107.78 2k8q s SER 63 Ca -0.09 2.65 -0.36 0.00 1.31 0.00 0.00 55.95 59.46 2k8q s SER 63 Cb 0.14 -2.61 0.15 0.00 0.21 0.00 0.00 66.02 63.91 2k8q s SER 63 CO 0.80 -0.74 1.32 0.28 0.41 0.00 0.00 173.24 175.31 2k8q s THR 64 N 0.39 0.00 0.01 1.44 -1.32 -0.88 -4.81 115.64 110.47 2k8q s THR 64 Ca 0.63 -0.02 0.05 0.00 -1.21 0.00 0.00 61.69 61.14 2k8q s THR 64 Cb -0.42 -1.16 -0.02 0.00 -1.51 0.00 0.00 72.50 69.39 2k8q s THR 64 CO 0.39 0.00 -0.15 0.00 -2.21 0.00 0.00 174.62 172.65 2k8q s ALA 65 N -2.20 1.26 0.08 11.08 0.00 -1.26 -0.06 121.76 130.67 2k8q s ALA 65 Ca 0.11 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.43 2k8q s ALA 65 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2k8q s ALA 65 CO -0.04 0.29 -0.23 -0.65 0.00 0.00 0.00 175.76 175.13 2k8q s GLN 66 N -0.67 1.36 -0.13 0.00 -1.52 0.17 -4.98 119.66 113.90 2k8q s GLN 66 Ca 0.05 -1.13 -0.22 0.00 -1.95 0.00 0.00 55.36 52.11 2k8q s GLN 66 Cb -0.07 -1.61 -0.03 0.00 -0.22 0.00 0.00 33.01 31.08 2k8q s GLN 66 CO 0.00 0.39 0.67 -0.47 -0.25 0.00 0.00 175.29 175.63 2k8q s TYR 67 N -0.98 3.48 -0.32 0.91 5.04 -1.26 -1.60 117.35 122.63 2k8q s TYR 67 Ca 0.09 1.10 -0.13 0.00 -2.44 0.00 0.00 57.07 55.69 2k8q s TYR 67 Cb -0.10 -2.80 -0.03 0.00 0.35 0.00 0.00 41.96 39.39 2k8q s TYR 67 CO 0.04 -0.03 0.28 -0.51 -1.34 0.00 0.00 175.55 173.99 2k8q s ASP 68 N 0.95 6.11 -0.12 4.32 1.01 0.88 -4.95 116.67 124.85 2k8q s ASP 68 Ca 0.33 -0.18 -0.16 0.00 0.71 0.00 0.00 52.55 53.25 2k8q s ASP 68 Cb -0.17 -2.16 -0.26 0.00 1.01 0.00 0.00 42.92 41.35 2k8q s ASP 68 CO 0.14 -0.21 0.49 0.77 0.21 0.00 0.00 175.17 176.56 2k8q h SER 69 N 8.42 0.31 -0.02 0.27 4.64 -1.93 0.34 113.55 125.57 2k8q h SER 69 Ca -0.32 -0.81 0.01 0.00 -0.47 0.00 0.00 61.79 60.19 2k8q h SER 69 Cb 1.16 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2k8q h SER 69 CO 0.63 1.60 0.14 0.07 -0.87 0.00 0.00 176.83 178.40 2k8q h LYS 70 N -0.40 0.00 0.00 4.77 -0.00 -1.96 -1.49 116.57 117.49 2k8q h LYS 70 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.34 2k8q h LYS 70 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.92 2k8q h LYS 70 CO 0.02 0.00 0.00 -3.47 -0.00 0.00 0.00 179.45 176.00 2k8q n ASP 71 N -3.10 0.29 -1.83 7.07 2.03 -1.25 -5.00 116.55 114.77 2k8q n ASP 71 Ca -0.02 -0.62 -0.17 0.00 0.52 0.00 0.00 54.79 54.49 2k8q n ASP 71 Cb 0.21 0.56 -0.05 0.00 -0.72 0.00 0.00 41.12 41.12 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 -0.56 -1.57 -4.02 -0.67 1.02 0.11 -4.88 120.64 110.07 2k8q n GLU 72 Ca 0.00 0.96 -0.26 0.00 -0.02 0.00 0.00 57.16 57.83 2k8q n GLU 72 Cb 0.01 -5.39 -0.03 0.00 -0.02 0.00 0.00 31.44 26.01 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 -2.72 1.77 -0.19 0.00 -1.09 -0.53 -0.09 121.20 118.35 2k8q s ILE 74 Ca 0.33 -0.87 -0.04 0.00 -2.23 0.00 0.00 60.65 57.84 2k8q s ILE 74 Cb -0.01 -1.53 -0.02 0.00 -1.58 0.00 0.00 42.46 39.32 2k8q s ILE 74 CO 0.20 0.50 -0.04 0.54 -1.23 0.00 0.00 174.94 174.90 2k8q s ASN 75 N 0.26 4.49 -0.13 3.58 2.20 -0.63 -1.15 114.94 123.56 2k8q s ASN 75 Ca -0.13 -0.29 0.01 0.00 -0.94 0.00 0.00 52.86 51.52 2k8q s ASN 75 Cb -0.16 -1.75 -0.01 0.00 -2.00 0.00 0.00 41.25 37.33 2k8q s ASN 75 CO 0.06 0.06 -0.16 -0.69 -2.94 0.00 0.00 177.10 173.43 2k8q s VAL 76 N 1.00 2.79 -0.05 3.54 1.01 0.59 -0.65 120.40 128.62 2k8q s VAL 76 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2k8q s VAL 76 Cb -0.15 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2k8q s VAL 76 CO 0.01 0.53 -0.10 -0.75 0.00 0.00 0.00 175.10 174.79 2k8q s LYS 77 N 0.41 2.63 -0.16 2.72 2.36 0.92 -0.58 119.74 128.04 2k8q s LYS 77 Ca -0.12 -0.62 -0.08 0.00 -2.55 0.00 0.00 55.97 52.60 2k8q s LYS 77 Cb -0.16 -2.50 0.06 0.00 -1.05 0.00 0.00 37.83 34.18 2k8q s LYS 77 CO 0.06 0.64 0.37 0.54 1.55 0.00 0.00 175.35 178.51 2k8q s VAL 78 N -0.81 -0.11 0.45 4.02 0.11 -0.90 -2.07 120.40 121.10 2k8q s VAL 78 Ca 0.13 0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 59.10 2k8q s VAL 78 Cb -0.11 -0.56 -0.10 0.00 -1.53 0.00 0.00 36.38 34.08 2k8q s VAL 78 CO 0.02 0.05 0.96 0.00 -3.33 0.00 0.00 175.10 172.80 2k8q s ALA 79 N 1.54 3.03 0.21 1.54 0.00 -1.24 -0.53 121.76 126.32 2k8q s ALA 79 Ca -0.08 0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.29 2k8q s ALA 79 Cb -0.09 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2k8q s ALA 79 CO -0.12 0.01 0.27 0.15 0.00 0.00 0.00 175.76 176.08 2k8q s LYS 80 N -3.38 3.24 0.47 0.00 -0.14 -1.26 -1.65 119.74 117.02 2k8q s LYS 80 Ca 0.62 -0.80 0.26 0.00 -1.36 0.00 0.00 55.97 54.68 2k8q s LYS 80 Cb -0.10 -2.80 1.09 0.00 -1.68 0.00 0.00 37.83 34.34 2k8q s LYS 80 CO 0.18 0.45 1.90 -0.07 -0.76 0.00 0.00 175.35 177.05 2k8q h LEU 81 N 1.67 0.00 -7.70 3.17 3.38 -1.87 -3.42 115.31 110.54 2k8q h LEU 81 Ca -0.50 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.05 2k8q h LEU 81 Cb 1.22 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.62 2k8q h LEU 81 CO 0.63 0.19 -0.77 0.20 0.09 0.00 0.00 178.44 178.77 2k8q s ASN 82 N -6.13 1.19 0.84 -0.43 0.01 -1.26 -5.13 114.94 104.01 2k8q s ASN 82 Ca -0.00 -0.14 -0.11 0.00 -0.71 0.00 0.00 52.86 51.90 2k8q s ASN 82 Cb 0.11 -0.49 0.09 0.00 0.41 0.00 0.00 41.25 41.37 2k8q s ASN 82 CO 0.62 -0.08 1.09 -0.75 -1.51 0.00 0.00 177.10 176.47 2k8q s LYS 83 N 1.16 1.75 -1.89 -0.60 2.20 -1.26 -3.29 119.74 117.81 2k8q s LYS 83 Ca -0.07 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 2k8q s LYS 83 Cb -0.14 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.33 2k8q s LYS 83 CO -0.01 -1.94 0.00 0.09 -0.36 0.00 0.00 175.35 173.13 2k8q n ASN 84 N -3.70 -5.44 -4.80 1.43 5.03 -0.90 -4.95 115.26 101.93 2k8q n ASN 84 Ca 0.08 0.44 -0.39 0.00 0.87 0.00 0.00 54.58 55.58 2k8q n ASN 84 Cb 0.54 -4.51 -0.06 0.00 -1.02 0.00 0.00 39.78 34.73 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 -3.49 4.20 0.47 3.52 2.56 -1.21 -4.96 118.70 119.78 2k8q s GLU 85 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 54.97 55.71 2k8q s GLU 85 Cb 0.00 -3.26 -0.03 0.00 2.00 0.00 0.00 34.13 32.84 2k8q s GLU 85 CO 0.00 0.59 0.08 1.52 -0.56 0.00 0.00 175.26 176.88 2k8q s TYR 86 N -0.91 2.14 0.09 5.30 1.13 -1.26 -4.59 117.35 119.25 2k8q s TYR 86 Ca 0.29 -0.80 0.04 0.00 -1.41 0.00 0.00 57.07 55.18 2k8q s TYR 86 Cb -0.19 -1.75 -0.03 0.00 -1.10 0.00 0.00 41.96 38.89 2k8q s TYR 86 CO 0.18 0.21 -0.10 -0.06 -2.51 0.00 0.00 175.55 173.27 2k8q s PHE 87 N -2.77 1.03 0.00 -3.49 0.40 -1.26 -5.03 117.98 106.85 2k8q s PHE 87 Ca 0.23 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2k8q s PHE 87 Cb 0.04 -0.57 0.00 0.00 0.51 0.00 0.00 43.02 43.00 2k8q s PHE 87 CO 0.12 -0.01 0.26 -0.85 0.70 0.00 0.00 175.22 175.44 2k8q n GLU 88 N 0.73 0.32 -0.47 0.44 0.28 -1.26 -4.68 120.64 115.99 2k8q n GLU 88 Ca -0.17 -0.26 0.08 0.00 -0.16 0.00 0.00 57.16 56.65 2k8q n GLU 88 Cb 0.57 -0.73 0.27 0.00 1.43 0.00 0.00 31.44 32.99 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2k8q n ASP 89 N -0.12 4.05 -0.68 -1.84 9.92 -1.26 -4.41 116.55 122.22 2k8q n ASP 89 Ca 0.00 -2.75 0.11 0.00 -0.53 0.00 0.00 54.79 51.62 2k8q n ASP 89 Cb 0.07 -0.51 0.34 0.00 -0.64 0.00 0.00 41.12 40.39 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 0.03 2.04 -0.65 0.64 4.77 -1.26 -3.73 117.00 118.83 2k8q n LEU 90 Ca 0.21 -0.84 0.07 0.00 -0.03 0.00 0.00 56.01 55.41 2k8q n LEU 90 Cb 0.84 -0.12 0.18 0.00 -2.33 0.00 0.00 43.42 42.00 2k8q n LEU 90 CO 0.17 0.42 0.65 0.47 -1.33 0.00 0.00 177.39 177.77 2k8q n ASP 91 N 0.57 3.20 -3.79 -1.43 9.92 -1.26 -4.41 116.55 119.35 2k8q n ASP 91 Ca 0.17 -2.47 -0.30 0.00 -0.53 0.00 0.00 54.79 51.66 2k8q n ASP 91 Cb 0.39 -0.35 -0.15 0.00 -0.64 0.00 0.00 41.12 40.37 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 -1.84 2.59 0.00 0.64 1.43 -1.24 -4.97 118.68 115.28 2k8q s LEU 92 Ca 0.29 -1.64 0.15 0.00 -1.03 0.00 0.00 54.13 51.90 2k8q s LEU 92 Cb 0.21 -0.99 0.74 0.00 0.03 0.00 0.00 46.19 46.18 2k8q s LEU 92 CO 0.11 -0.39 1.40 -0.81 0.23 0.00 0.00 176.35 176.89 2k8q n PRO 93 N 4.76 0.21 -0.06 1.29 -0.04 -1.26 -2.41 135.00 137.49 2k8q n PRO 93 Ca -0.02 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2k8q n PRO 93 Cb 0.42 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.23 2k8q n PRO 93 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k8q n THR 94 N -1.28 1.45 0.05 0.52 -2.24 -1.26 -3.62 114.28 107.89 2k8q n THR 94 Ca 0.07 -0.82 -0.17 0.00 -2.27 0.00 0.00 64.05 60.86 2k8q n THR 94 Cb 0.12 -0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 67.58 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 0.58 -0.15 -0.78 6.56 -1.83 -2.89 116.57 118.07 2k8q h LYS 95 Ca -0.42 -0.60 -0.06 0.00 -1.06 0.00 0.00 60.65 58.51 2k8q h LYS 95 Cb 2.11 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 33.93 2k8q h LYS 95 CO 0.05 1.22 -0.13 -0.07 -2.06 0.00 0.00 179.45 178.46 2k8q h LEU 96 N 0.34 0.36 -0.03 2.94 3.38 -1.72 -3.26 115.31 117.32 2k8q h LEU 96 Ca -0.10 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.43 2k8q h LEU 96 Cb 1.60 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 2k8q h LEU 96 CO 0.18 0.75 -0.13 -0.07 0.09 0.00 0.00 178.44 179.26 2k8q h LEU 97 N -0.02 -0.39 -1.02 1.67 4.07 -1.63 -2.69 115.31 115.30 2k8q h LEU 97 Ca 0.03 0.06 -0.35 0.00 0.08 0.00 0.00 57.88 57.70 2k8q h LEU 97 Cb 0.64 0.17 0.13 0.00 1.08 0.00 0.00 40.66 42.68 2k8q h LEU 97 CO 0.03 -0.18 -0.62 0.00 -1.08 0.00 0.00 178.44 176.59 2k8q n ALA 98 N -2.45 -1.29 -2.67 1.53 0.00 -1.09 -4.86 120.51 109.69 2k8q n ALA 98 Ca -0.05 0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 2k8q n ALA 98 Cb 0.19 -4.51 -0.10 0.00 0.00 0.00 0.00 19.45 15.03 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 -6.00 0.54 -0.12 0.00 1.70 -1.26 -5.14 118.95 108.66 2k8q s ARG 99 Ca 0.43 -0.80 -0.20 0.00 -0.47 0.00 0.00 55.73 54.69 2k8q s ARG 99 Cb -0.19 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 2k8q s ARG 99 CO 0.65 -0.12 0.56 -0.65 -1.08 0.00 0.00 175.30 174.66 2k8q s GLN 100 N -2.61 4.33 1.24 3.89 -1.52 -1.26 -5.07 119.66 118.66 2k8q s GLN 100 Ca -0.05 0.58 -0.20 0.00 -1.95 0.00 0.00 55.36 53.74 2k8q s GLN 100 Cb -0.01 -3.47 0.30 0.00 -0.22 0.00 0.00 33.01 29.61 2k8q s GLN 100 CO -0.05 0.05 1.10 0.20 -0.25 0.00 0.00 175.29 176.34 2k8q s GLY 101 N 0.80 1.57 -0.56 3.09 0.00 -1.26 -4.81 107.32 106.16 2k8q s GLY 101 Ca 0.29 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.71 2k8q s GLY 101 CO 0.12 -0.08 2.42 1.22 0.00 0.00 0.00 173.10 176.78 2k8q n ASP 102 N -4.88 1.86 -0.18 1.64 8.00 -1.26 -4.80 116.55 116.92 2k8q n ASP 102 Ca 0.14 -0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.46 2k8q n ASP 102 Cb 0.60 -1.35 0.01 0.00 -0.02 0.00 0.00 41.12 40.36 2k8q n ASP 102 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2k8q h LEU 103 N 15.78 1.00 -1.79 0.64 6.46 -2.03 -2.61 115.31 132.75 2k8q h LEU 103 Ca -0.21 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.18 2k8q h LEU 103 Cb 1.29 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 2k8q h LEU 103 CO 1.17 1.12 -0.08 0.00 -0.62 0.00 0.00 178.44 180.02 2k8q h ALA 104 N 0.92 1.10 -3.04 1.25 0.00 -2.02 -3.33 119.26 114.13 2k8q h ALA 104 Ca 0.14 -0.07 -0.62 0.00 0.00 0.00 0.00 54.91 54.35 2k8q h ALA 104 Cb 0.67 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.03 2k8q h ALA 104 CO 0.05 0.10 -0.63 0.20 0.00 0.00 0.00 179.25 178.97 2k8q s GLY 105 N -4.20 2.64 -0.28 0.00 0.00 -0.99 -4.88 107.32 99.61 2k8q s GLY 105 Ca -0.01 -3.57 0.11 0.00 0.00 0.00 0.00 44.72 41.25 2k8q s GLY 105 CO 0.55 1.21 1.60 0.00 0.00 0.00 0.00 173.10 176.46 2k8q n ALA 106 N 2.27 4.13 -2.70 3.20 0.00 -1.24 -4.65 120.51 121.52 2k8q n ALA 106 Ca 0.18 -2.63 -0.37 0.00 0.00 0.00 0.00 53.44 50.62 2k8q n ALA 106 Cb 0.36 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.78 6.53 0.41 0.00 1.01 -1.26 -5.09 116.67 116.49 2k8q s ASP 107 Ca 0.48 0.63 0.07 0.00 0.71 0.00 0.00 52.55 54.44 2k8q s ASP 107 Cb 0.41 -2.20 -0.07 0.00 1.01 0.00 0.00 42.92 42.06 2k8q s ASP 107 CO 0.08 0.14 0.08 0.00 0.21 0.00 0.00 175.17 175.67 2k8q s ALA 108 N 0.15 3.33 -0.11 5.23 0.00 -1.26 -5.16 121.76 123.94 2k8q s ALA 108 Ca 0.19 -2.23 -0.18 0.00 0.00 0.00 0.00 51.96 49.74 2k8q s ALA 108 Cb -0.14 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.97 2k8q s ALA 108 CO 0.06 -0.14 0.46 -0.48 0.00 0.00 0.00 175.76 175.66 2k8q s LEU 109 N -3.79 0.26 -0.20 0.00 2.34 -1.26 -5.14 118.68 110.89 2k8q s LEU 109 Ca 0.37 0.67 -0.04 0.00 0.06 0.00 0.00 54.13 55.19 2k8q s LEU 109 Cb 0.07 1.65 0.07 0.00 -0.56 0.00 0.00 46.19 47.43 2k8q s LEU 109 CO 0.20 -0.31 0.08 0.42 -1.06 0.00 0.00 176.35 175.67 2k8q s THR 110 N -0.41 0.20 1.09 5.48 -4.23 -1.26 -5.14 115.64 111.37 2k8q s THR 110 Ca -0.06 -0.46 -0.17 0.00 -1.18 0.00 0.00 61.69 59.83 2k8q s THR 110 Cb -0.03 -0.86 0.11 0.00 1.34 0.00 0.00 72.50 73.06 2k8q s THR 110 CO 0.03 -0.34 0.20 -1.84 -0.54 0.00 0.00 174.62 172.13 2k8q n GLU 111 N 5.17 -1.44 -4.03 3.99 0.00 -1.26 -5.04 120.64 118.02 2k8q n GLU 111 Ca -0.07 -0.40 -0.10 0.00 0.00 0.00 0.00 57.16 56.59 2k8q n GLU 111 Cb 0.47 -1.79 -0.08 0.00 0.00 0.00 0.00 31.44 30.05 2k8q n GLU 111 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2k8q s ASN 112 N -1.94 0.09 -0.16 -1.84 0.02 -1.26 -5.15 114.94 104.70 2k8q s ASN 112 Ca 0.58 -1.00 -0.14 0.00 -1.02 0.00 0.00 52.86 51.27 2k8q s ASN 112 Cb -0.15 0.42 -0.05 0.00 0.02 0.00 0.00 41.25 41.49 2k8q s ASN 112 CO 0.66 -0.88 0.31 -0.89 0.02 0.00 0.00 177.10 176.32 2k8q s THR 113 N -4.01 5.29 0.40 1.60 2.01 -1.26 -5.08 115.64 114.58 2k8q s THR 113 Ca 0.22 0.59 -0.08 0.00 0.31 0.00 0.00 61.69 62.73 2k8q s THR 113 Cb 0.04 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 2k8q s THR 113 CO 0.03 0.38 0.73 1.51 -0.69 0.00 0.00 174.62 176.57 2k8q s ASP 114 N 0.52 6.46 -0.26 3.53 -4.77 -1.26 -5.06 116.67 115.82 2k8q s ASP 114 Ca 0.17 1.01 -0.13 0.00 -3.30 0.00 0.00 52.55 50.30 2k8q s ASP 114 Cb -0.13 -2.27 -0.04 0.00 -1.09 0.00 0.00 42.92 39.38 2k8q s ASP 114 CO 0.05 -0.39 0.29 0.00 0.70 0.00 0.00 175.17 175.82 2k8q s ALA 115 N -2.38 3.56 -0.75 2.11 0.00 -1.26 -4.94 121.76 118.09 2k8q s ALA 115 Ca 0.49 -0.89 0.24 0.00 0.00 0.00 0.00 51.96 51.80 2k8q s ALA 115 Cb -0.10 -2.59 0.91 0.00 0.00 0.00 0.00 23.12 21.34 2k8q s ALA 115 CO 0.34 -0.55 1.74 1.17 0.00 0.00 0.00 175.76 178.46 2k8q n LYS 116 N 5.07 0.15 -0.20 0.00 0.00 -1.26 -3.35 118.16 118.57 2k8q n LYS 116 Ca -0.11 0.24 0.19 0.00 0.00 0.00 0.00 58.31 58.64 2k8q n LYS 116 Cb 0.51 -1.72 0.55 0.00 0.00 0.00 0.00 35.03 34.37 2k8q n LYS 116 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2k8q h LYS 117 N 0.00 0.32 -6.88 1.64 3.64 -2.05 -3.41 116.57 109.84 2k8q h LYS 117 Ca 0.00 -0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.85 2k8q h LYS 117 Cb 0.51 -0.07 0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2k8q h LYS 117 CO 0.00 0.21 0.53 -0.08 -2.27 0.00 0.00 179.45 177.84 2k8q s THR 118 N -5.34 3.18 -0.25 1.00 -1.32 -1.21 -5.03 115.64 106.66 2k8q s THR 118 Ca -0.08 1.11 -0.02 0.00 -1.21 0.00 0.00 61.69 61.49 2k8q s THR 118 Cb 0.22 -3.67 0.12 0.00 -1.51 0.00 0.00 72.50 67.66 2k8q s THR 118 CO 0.77 0.20 0.30 -1.58 -2.21 0.00 0.00 174.62 172.10 2k8q s GLN 119 N -1.87 0.29 -0.43 7.08 0.74 -1.26 -5.06 119.66 119.15 2k8q s GLN 119 Ca 0.50 0.17 0.08 0.00 0.05 0.00 0.00 55.36 56.16 2k8q s GLN 119 Cb -0.33 -0.79 0.26 0.00 1.10 0.00 0.00 33.01 33.25 2k8q s GLN 119 CO 0.43 -0.80 0.58 1.63 -0.55 0.00 0.00 175.29 176.59 2k8q n LYS 120 N 5.33 1.07 -0.93 1.67 5.02 -1.26 -5.12 118.16 123.94 2k8q n LYS 120 Ca -0.04 -3.50 -0.27 0.00 -2.02 0.00 0.00 58.31 52.49 2k8q n LYS 120 Cb 0.49 -1.44 0.22 0.00 -0.02 0.00 0.00 35.03 34.28 2k8q n LYS 120 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2k8q n PRO 121 N 1.19 -2.92 -3.62 1.97 -0.04 -1.26 -5.10 135.00 125.22 2k8q n PRO 121 Ca 0.23 -1.56 -0.07 0.00 -0.04 0.00 0.00 63.50 62.06 2k8q n PRO 121 Cb 0.52 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2k8q n PRO 121 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2k8q s LEU 122 N 0.00 -0.25 -0.35 1.53 0.05 -1.26 -5.14 118.68 113.26 2k8q s LEU 122 Ca 0.63 0.39 -0.08 0.00 0.05 0.00 0.00 54.13 55.12 2k8q s LEU 122 Cb -0.06 1.54 0.03 0.00 -2.05 0.00 0.00 46.19 45.65 2k8q s LEU 122 CO 0.49 -0.16 0.13 -0.63 -0.55 0.00 0.00 176.35 175.63 2k8q s ILE 123 N -0.48 4.01 0.00 1.48 1.01 -1.26 -5.08 121.20 120.88 2k8q s ILE 123 Ca 0.04 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.72 2k8q s ILE 123 Cb -0.03 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2k8q s ILE 123 CO -0.06 -0.18 -0.18 -1.58 0.00 0.00 0.00 174.94 172.94 2k8q s GLN 124 N 1.45 2.21 0.44 2.79 0.74 -1.26 -5.14 119.66 120.90 2k8q s GLN 124 Ca -0.00 -0.89 0.02 0.00 0.05 0.00 0.00 55.36 54.54 2k8q s GLN 124 Cb -0.19 -2.23 0.00 0.00 1.10 0.00 0.00 33.01 31.70 2k8q s GLN 124 CO 0.04 0.57 0.64 -1.83 -0.55 0.00 0.00 175.29 174.16 2k8q s GLU 125 N -1.10 2.96 0.14 1.67 4.04 -1.26 -5.12 118.70 120.03 2k8q s GLU 125 Ca 0.13 -0.71 0.10 0.00 0.04 0.00 0.00 54.97 54.53 2k8q s GLU 125 Cb -0.10 -2.62 -0.04 0.00 0.02 0.00 0.00 34.13 31.39 2k8q s GLU 125 CO 0.03 -0.28 -0.23 0.14 -1.84 0.00 0.00 175.26 173.08 2k8q s VAL 126 N -2.49 2.07 0.66 1.83 -7.23 -1.26 -5.14 120.40 108.83 2k8q s VAL 126 Ca 0.50 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.80 2k8q s VAL 126 Cb -0.10 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 34.97 2k8q s VAL 126 CO 0.36 -0.05 1.01 -1.61 -0.31 0.00 0.00 175.10 174.50 2k8q s GLU 127 N -2.25 2.85 0.69 4.82 8.01 -1.26 -5.03 118.70 126.53 2k8q s GLU 127 Ca 0.14 0.24 -0.17 0.00 0.01 0.00 0.00 54.97 55.19 2k8q s GLU 127 Cb -0.09 -2.13 0.01 0.00 -4.31 0.00 0.00 34.13 27.61 2k8q s GLU 127 CO 0.06 -0.91 1.26 -2.37 0.01 0.00 0.00 175.26 173.32 2k8q n THR 128 N -2.83 4.22 -2.64 3.63 5.66 -1.26 -5.00 114.28 116.07 2k8q n THR 128 Ca 0.06 -0.43 -0.30 0.00 -3.05 0.00 0.00 64.05 60.33 2k8q n THR 128 Cb 0.57 -1.41 -0.02 0.00 -1.55 0.00 0.00 70.33 67.92 2k8q n THR 128 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k8q s ASP 129 N -1.55 6.47 0.00 1.09 2.15 -1.26 -5.09 116.67 118.48 2k8q s ASP 129 Ca 0.80 1.21 0.00 0.00 0.43 0.00 0.00 52.55 54.99 2k8q s ASP 129 Cb -0.36 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 2k8q s ASP 129 CO 0.43 -0.51 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 2k8q n GLY 130 N -1.64 1.67 3.17 2.66 0.00 -1.26 -5.15 105.19 104.64 2k8q n GLY 130 Ca 0.03 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 2k8q n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k8q s VAL 131 N 3.51 0.39 0.51 1.61 -7.23 -1.26 -5.18 120.40 112.75 2k8q s VAL 131 Ca 0.00 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 2k8q s VAL 131 Cb 0.00 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 35.06 2k8q s VAL 131 CO 0.00 -0.65 0.27 -0.55 -0.31 0.00 0.00 175.10 173.86 2k8q s SER 132 N -3.05 4.49 0.22 4.85 0.15 -1.26 -5.16 113.70 113.94 2k8q s SER 132 Ca 0.18 -1.31 0.04 0.00 0.70 0.00 0.00 55.95 55.56 2k8q s SER 132 Cb 0.07 0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 64.62 2k8q s SER 132 CO -0.01 -0.95 -0.04 0.54 1.20 0.00 0.00 173.24 173.98 2k8q s ASN 133 N -4.12 2.02 0.00 5.45 4.22 -1.26 -5.37 114.94 115.87 2k8q s ASN 133 Ca 0.28 -1.16 0.00 0.00 -2.14 0.00 0.00 52.86 49.84 2k8q s ASN 133 Cb -0.00 -0.03 0.00 0.00 1.28 0.00 0.00 41.25 42.49 2k8q s ASN 133 CO 0.17 -0.43 0.35 -0.46 -2.04 0.00 0.00 177.10 174.69