#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8q h ILE 2 N 0.00 1.61 -3.75 -0.61 2.04 -1.96 -3.46 117.51 111.37 2k8q h ILE 2 Ca 0.00 -3.20 -0.56 0.00 1.00 0.00 0.00 64.86 62.10 2k8q h ILE 2 Cb 0.00 2.84 0.14 0.00 -0.74 0.00 0.00 36.82 39.06 2k8q h ILE 2 CO 0.00 0.92 0.47 1.07 0.00 0.00 0.00 178.15 180.61 2k8q n THR 3 N -3.46 3.33 -0.03 -0.27 5.66 -1.26 -4.94 114.28 113.32 2k8q n THR 3 Ca -0.04 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.33 2k8q n THR 3 Cb 0.96 -1.53 -0.09 0.00 -1.55 0.00 0.00 70.33 68.12 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 1.50 0.12 -3.14 1.09 0.13 -1.90 -3.47 132.00 126.32 2k8q h PRO 4 Ca -0.49 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.49 2k8q h PRO 4 Cb 1.31 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 2k8q h PRO 4 CO 0.57 0.57 -0.17 1.03 -0.23 0.00 0.00 178.00 179.76 2k8q s ARG 5 N -4.28 0.86 -0.29 0.86 3.00 -1.26 -5.08 118.95 112.77 2k8q s ARG 5 Ca -0.15 -0.41 -0.18 0.00 0.00 0.00 0.00 55.73 54.99 2k8q s ARG 5 Cb 0.03 0.38 0.16 0.00 0.00 0.00 0.00 34.95 35.51 2k8q s ARG 5 CO 0.70 -0.28 1.06 -0.59 0.00 0.00 0.00 175.30 176.19 2k8q s PHE 6 N -2.45 -0.44 0.02 -0.53 -0.71 -1.26 -1.44 117.98 111.17 2k8q s PHE 6 Ca -0.06 0.90 0.07 0.00 -1.04 0.00 0.00 56.93 56.80 2k8q s PHE 6 Cb -0.01 0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 42.08 2k8q s PHE 6 CO -0.02 -0.22 -0.20 -1.12 -1.34 0.00 0.00 175.22 172.32 2k8q s SER 7 N 1.07 2.37 -0.00 1.98 0.01 0.33 -4.99 113.70 114.45 2k8q s SER 7 Ca -0.06 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 56.79 2k8q s SER 7 Cb -0.04 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2k8q s SER 7 CO -0.13 0.19 -0.08 -0.63 0.41 0.00 0.00 173.24 173.00 2k8q s ILE 8 N -0.65 3.53 0.06 1.44 1.01 -1.26 0.08 121.20 125.41 2k8q s ILE 8 Ca 0.07 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2k8q s ILE 8 Cb -0.08 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 2k8q s ILE 8 CO 0.01 0.43 -0.17 -0.89 0.00 0.00 0.00 174.94 174.31 2k8q s THR 9 N -0.95 1.40 0.02 2.92 2.01 0.87 -4.87 115.64 117.04 2k8q s THR 9 Ca 0.16 -1.19 0.06 0.00 0.31 0.00 0.00 61.69 61.02 2k8q s THR 9 Cb -0.11 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 2k8q s THR 9 CO 0.06 0.03 -0.14 0.00 -0.69 0.00 0.00 174.62 173.88 2k8q s GLN 10 N -1.35 2.26 0.38 4.92 0.00 -1.26 -0.93 119.66 123.67 2k8q s GLN 10 Ca 0.04 -0.88 0.04 0.00 -0.00 0.00 0.00 55.36 54.56 2k8q s GLN 10 Cb -0.09 -2.30 -0.03 0.00 0.00 0.00 0.00 33.01 30.59 2k8q s GLN 10 CO 0.02 0.56 0.12 -0.51 0.00 0.00 0.00 175.29 175.48 2k8q s ASP 11 N -1.39 2.54 -0.05 12.60 1.01 -0.71 -4.93 116.67 125.74 2k8q s ASP 11 Ca 0.15 -1.60 0.11 0.00 0.71 0.00 0.00 52.55 51.92 2k8q s ASP 11 Cb -0.11 0.38 0.40 0.00 1.01 0.00 0.00 42.92 44.60 2k8q s ASP 11 CO 0.06 -0.87 1.26 -1.84 0.21 0.00 0.00 175.17 174.00 2k8q n GLU 12 N -0.82 2.40 0.00 8.23 0.28 -1.26 -4.20 120.64 125.26 2k8q n GLU 12 Ca -0.04 -1.58 0.00 0.00 -0.16 0.00 0.00 57.16 55.38 2k8q n GLU 12 Cb 0.65 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.98 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 0.58 0.00 -3.11 3.44 0.28 -1.26 -1.96 120.64 118.61 2k8q n GLU 13 Ca 0.14 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.07 2k8q n GLU 13 Cb 0.50 -0.52 0.01 0.00 1.43 0.00 0.00 31.44 32.87 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 -1.74 -1.88 -4.28 -1.84 -1.74 -1.26 -4.18 117.46 100.54 2k8q n PHE 14 Ca 0.00 -1.44 -0.35 0.00 -0.56 0.00 0.00 57.45 55.10 2k8q n PHE 14 Cb 0.07 0.64 -0.09 0.00 1.52 0.00 0.00 39.48 41.62 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 -2.40 4.47 -0.31 1.97 -1.09 -0.27 -1.73 121.20 121.83 2k8q s ILE 15 Ca 0.13 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.32 2k8q s ILE 15 Cb -0.03 -2.92 0.09 0.00 -1.58 0.00 0.00 42.46 38.02 2k8q s ILE 15 CO 0.10 0.55 0.04 0.12 -1.23 0.00 0.00 174.94 174.52 2k8q s PHE 16 N -0.96 3.04 -0.24 3.97 5.36 -0.11 -2.42 117.98 126.63 2k8q s PHE 16 Ca 0.15 -2.48 -0.12 0.00 -0.96 0.00 0.00 56.93 53.52 2k8q s PHE 16 Cb -0.11 -2.39 -0.05 0.00 -0.34 0.00 0.00 43.02 40.13 2k8q s PHE 16 CO 0.05 -0.91 0.22 -1.17 -1.46 0.00 0.00 175.22 171.95 2k8q s LEU 17 N 1.16 4.11 -0.07 6.12 2.96 -0.06 -0.09 118.68 132.81 2k8q s LEU 17 Ca 0.07 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 2k8q s LEU 17 Cb -0.19 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 2k8q s LEU 17 CO -0.12 0.01 -0.06 -1.59 -1.32 0.00 0.00 176.35 173.28 2k8q s LYS 18 N 1.22 2.78 0.03 1.98 -2.85 0.11 0.15 119.74 123.16 2k8q s LYS 18 Ca 0.10 -0.53 0.07 0.00 -1.00 0.00 0.00 55.97 54.61 2k8q s LYS 18 Cb -0.14 -2.62 -0.02 0.00 -2.06 0.00 0.00 37.83 32.99 2k8q s LYS 18 CO 0.06 0.67 -0.19 0.42 0.10 0.00 0.00 175.35 176.41 2k8q s ILE 19 N -0.82 1.53 -0.15 3.79 1.09 0.24 -0.52 121.20 126.37 2k8q s ILE 19 Ca 0.13 -1.06 -0.05 0.00 -1.10 0.00 0.00 60.65 58.57 2k8q s ILE 19 Cb -0.11 -1.32 -0.03 0.00 -1.06 0.00 0.00 42.46 39.93 2k8q s ILE 19 CO 0.02 0.23 0.01 -0.36 -0.10 0.00 0.00 174.94 174.74 2k8q s PHE 20 N -0.71 3.14 0.22 3.97 0.08 -0.52 -0.47 117.98 123.69 2k8q s PHE 20 Ca 0.07 -0.05 0.05 0.00 0.12 0.00 0.00 56.93 57.11 2k8q s PHE 20 Cb -0.08 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2k8q s PHE 20 CO 0.01 0.15 0.18 0.44 -0.10 0.00 0.00 175.22 175.91 2k8q n ILE 21 N 3.19 0.00 -1.60 0.64 -5.35 -1.22 -4.04 119.36 110.97 2k8q n ILE 21 Ca -0.17 -1.61 0.06 0.00 -0.27 0.00 0.00 62.75 60.76 2k8q n ILE 21 Cb 0.53 0.79 0.15 0.00 -1.74 0.00 0.00 39.64 39.38 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 -2.11 1.68 -3.75 7.28 2.88 -1.26 -4.80 113.62 113.54 2k8q n SER 22 Ca 0.05 -3.34 -0.25 0.00 -1.33 0.00 0.00 58.87 54.00 2k8q n SER 22 Cb 0.40 -0.45 0.02 0.00 -0.75 0.00 0.00 64.21 63.43 2k8q n SER 22 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k8q n ASN 23 N -0.93 -2.44 -4.29 -3.46 3.02 -1.26 -4.98 115.26 100.92 2k8q n ASN 23 Ca 0.15 -0.93 -0.31 0.00 -0.03 0.00 0.00 54.58 53.46 2k8q n ASN 23 Cb 0.74 -3.60 -0.16 0.00 -0.61 0.00 0.00 39.78 36.15 2k8q n ASN 23 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2k8q s ILE 24 N -3.68 2.09 -1.05 2.41 -5.25 -1.26 -4.68 121.20 109.78 2k8q s ILE 24 Ca 0.17 -1.07 -0.07 0.00 -0.99 0.00 0.00 60.65 58.69 2k8q s ILE 24 Cb -0.06 -1.74 0.06 0.00 2.95 0.00 0.00 42.46 43.67 2k8q s ILE 24 CO 0.85 0.57 0.30 0.54 -1.79 0.00 0.00 174.94 175.42 2k8q n ARG 25 N 2.76 -2.86 -2.65 0.37 5.12 -1.26 -4.73 116.66 113.40 2k8q n ARG 25 Ca -0.17 0.39 -0.42 0.00 -1.93 0.00 0.00 57.85 55.73 2k8q n ARG 25 Cb 0.52 -5.03 -0.03 0.00 -1.16 0.00 0.00 32.46 26.75 2k8q n ARG 25 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2k8q s PHE 26 N -2.72 2.45 -0.22 -1.55 5.36 -1.26 -4.45 117.98 115.58 2k8q s PHE 26 Ca 0.28 -0.14 0.01 0.00 -0.96 0.00 0.00 56.93 56.12 2k8q s PHE 26 Cb -0.15 -4.49 0.03 0.00 -0.34 0.00 0.00 43.02 38.07 2k8q s PHE 26 CO 0.34 -1.87 -0.13 -1.12 -1.46 0.00 0.00 175.22 170.98 2k8q s SER 27 N 3.59 3.88 0.54 6.13 0.01 -1.26 -4.98 113.70 121.61 2k8q s SER 27 Ca 0.32 -0.91 0.31 0.00 1.31 0.00 0.00 55.95 56.98 2k8q s SER 27 Cb -0.11 -1.56 1.48 0.00 0.21 0.00 0.00 66.02 66.04 2k8q s SER 27 CO 0.15 -0.09 1.90 0.00 0.41 0.00 0.00 173.24 175.61 2k8q h ALA 28 N 7.92 2.80 -0.67 1.44 0.00 -1.95 0.16 119.26 128.96 2k8q h ALA 28 Ca -0.34 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 54.73 2k8q h ALA 28 Cb 1.10 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2k8q h ALA 28 CO 0.57 -1.06 0.48 -0.39 0.00 0.00 0.00 179.25 178.85 2k8q h VAL 29 N 0.00 0.66 0.00 0.00 -1.51 -2.01 -0.39 116.25 113.00 2k8q h VAL 29 Ca 0.40 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 65.67 2k8q h VAL 29 Cb 1.64 0.66 -0.04 0.00 -2.13 0.00 0.00 31.29 31.43 2k8q h VAL 29 CO -0.00 0.00 -1.72 0.61 -1.23 0.00 0.00 177.57 175.23 2k8q n GLY 30 N -1.67 -1.11 3.45 5.19 0.00 0.54 -4.89 105.19 106.70 2k8q n GLY 30 Ca 0.13 -0.20 -0.50 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.80 2.13 -2.68 0.99 4.32 -0.16 -4.60 117.00 114.20 2k8q n LEU 31 Ca -0.15 0.37 -0.05 0.00 -0.02 0.00 0.00 56.01 56.16 2k8q n LEU 31 Cb 0.90 -1.27 0.08 0.00 -1.62 0.00 0.00 43.42 41.50 2k8q n LEU 31 CO 0.44 -0.76 0.57 1.21 -1.22 0.00 0.00 177.39 177.62 2k8q n GLU 32 N 8.26 0.22 -2.24 3.23 0.00 -1.26 -5.01 120.64 123.82 2k8q n GLU 32 Ca 0.41 -0.84 -0.41 0.00 0.00 0.00 0.00 57.16 56.32 2k8q n GLU 32 Cb 0.24 -0.38 -0.03 0.00 0.00 0.00 0.00 31.44 31.28 2k8q n GLU 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2k8q s ILE 33 N 0.17 3.26 0.14 6.31 1.01 -1.26 -4.66 121.20 126.17 2k8q s ILE 33 Ca 0.26 1.05 0.08 0.00 0.00 0.00 0.00 60.65 62.04 2k8q s ILE 33 Cb 0.22 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2k8q s ILE 33 CO -0.12 0.16 -0.19 0.27 0.00 0.00 0.00 174.94 175.07 2k8q s ILE 34 N 0.02 1.74 -0.13 2.92 -5.25 -1.08 -4.98 121.20 114.43 2k8q s ILE 34 Ca 0.56 -1.79 -0.00 0.00 -0.99 0.00 0.00 60.65 58.42 2k8q s ILE 34 Cb -0.36 -1.73 -0.02 0.00 2.95 0.00 0.00 42.46 43.31 2k8q s ILE 34 CO 0.39 -0.25 -0.12 -0.63 -1.79 0.00 0.00 174.94 172.53 2k8q s ILE 35 N -1.81 3.11 0.46 8.37 1.09 -1.26 -0.94 121.20 130.23 2k8q s ILE 35 Ca 0.12 -0.64 -0.08 0.00 -1.10 0.00 0.00 60.65 58.96 2k8q s ILE 35 Cb -0.07 -2.31 0.11 0.00 -1.06 0.00 0.00 42.46 39.13 2k8q s ILE 35 CO 0.06 0.52 0.49 0.00 -0.10 0.00 0.00 174.94 175.91 2k8q n GLN 36 N 3.52 -1.35 -0.26 2.79 1.13 0.11 -4.70 117.38 118.62 2k8q n GLN 36 Ca -0.18 -0.77 0.20 0.00 -1.94 0.00 0.00 57.00 54.30 2k8q n GLN 36 Cb 0.53 -0.63 0.51 0.00 0.11 0.00 0.00 30.24 30.76 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 0.40 0.00 -1.09 4.11 -2.00 -3.39 114.58 112.61 2k8q h GLU 37 Ca -0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.23 2k8q h GLU 37 Cb 0.51 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k8q h GLU 37 CO 0.12 0.26 -0.03 0.27 0.07 0.00 0.00 179.01 179.70 2k8q n ASN 38 N -4.52 -0.02 -4.80 3.06 6.94 -1.26 -4.10 115.26 110.55 2k8q n ASN 38 Ca 0.20 0.07 -0.29 0.00 -0.02 0.00 0.00 54.58 54.54 2k8q n ASN 38 Cb 0.73 0.06 0.11 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 1.58 -0.09 -3.83 0.23 -1.26 -2.46 119.30 111.47 2k8q s MET 39 Ca 0.00 0.43 0.01 0.00 -1.03 0.00 0.00 55.69 55.09 2k8q s MET 39 Cb 0.00 -1.88 -0.03 0.00 -1.53 0.00 0.00 34.83 31.40 2k8q s MET 39 CO 0.00 -1.93 -0.10 0.42 -2.03 0.00 0.00 175.02 171.39 2k8q s ILE 40 N -3.24 3.42 -0.24 3.16 1.01 -0.41 0.06 121.20 124.96 2k8q s ILE 40 Ca 0.62 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 2k8q s ILE 40 Cb -0.14 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 2k8q s ILE 40 CO 0.53 0.57 0.04 -0.63 0.00 0.00 0.00 174.94 175.45 2k8q s ILE 41 N -0.41 4.04 -0.45 2.92 -1.09 -0.11 -1.69 121.20 124.41 2k8q s ILE 41 Ca 0.05 -0.27 -0.17 0.00 -2.23 0.00 0.00 60.65 58.04 2k8q s ILE 41 Cb -0.12 -2.87 0.04 0.00 -1.58 0.00 0.00 42.46 37.92 2k8q s ILE 41 CO 0.02 0.36 0.43 0.12 -1.23 0.00 0.00 174.94 174.65 2k8q s PHE 42 N 1.56 3.18 -0.10 3.97 5.36 0.35 -2.65 117.98 129.67 2k8q s PHE 42 Ca 0.06 -0.59 0.16 0.00 -0.96 0.00 0.00 56.93 55.60 2k8q s PHE 42 Cb -0.15 -3.01 -0.24 0.00 -0.34 0.00 0.00 43.02 39.29 2k8q s PHE 42 CO 0.02 -0.76 0.38 1.58 -1.46 0.00 0.00 175.22 174.98 2k8q n HIS 43 N 5.50 0.00 -1.16 10.12 -0.00 -1.26 -1.50 115.22 126.91 2k8q n HIS 43 Ca -0.09 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.74 2k8q n HIS 43 Cb 0.46 -0.32 0.09 0.00 -0.12 0.00 0.00 29.99 30.10 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 -1.97 1.13 -1.42 0.27 0.00 -1.26 -4.72 117.00 109.03 2k8q n LEU 44 Ca -0.02 0.54 0.18 0.00 0.00 0.00 0.00 56.01 56.71 2k8q n LEU 44 Cb 0.39 -1.25 -0.08 0.00 0.00 0.00 0.00 43.42 42.48 2k8q n LEU 44 CO 0.33 -3.01 -0.51 -1.20 0.00 0.00 0.00 177.39 172.99 2k8q n SER 45 N -0.85 -8.27 0.00 1.96 7.64 -1.26 -4.15 113.62 108.69 2k8q n SER 45 Ca 0.10 1.15 0.07 0.00 1.01 0.00 0.00 58.87 61.21 2k8q n SER 45 Cb 0.51 -4.69 0.39 0.00 -1.01 0.00 0.00 64.21 59.41 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 0.27 -4.39 1.43 -0.04 -1.26 -4.63 135.00 122.09 2k8q n PRO 46 Ca -0.06 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 2k8q n PRO 46 Cb 0.67 -1.50 -0.12 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 -2.45 3.01 -0.08 0.54 2.02 -1.26 -5.10 117.35 114.03 2k8q s TYR 47 Ca 0.16 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.37 2k8q s TYR 47 Cb 0.10 -1.96 -0.05 0.00 -0.40 0.00 0.00 41.96 39.65 2k8q s TYR 47 CO 0.22 -0.07 0.39 -0.47 -1.57 0.00 0.00 175.55 174.05 2k8q s TYR 48 N 0.43 3.58 0.02 2.71 5.04 -1.26 -4.64 117.35 123.23 2k8q s TYR 48 Ca -0.04 0.84 0.05 0.00 -2.44 0.00 0.00 57.07 55.48 2k8q s TYR 48 Cb -0.14 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.78 2k8q s TYR 48 CO 0.03 0.39 -0.15 -1.17 -1.34 0.00 0.00 175.55 173.30 2k8q s LEU 49 N -0.12 2.10 -0.21 6.97 0.20 -0.56 -4.24 118.68 122.82 2k8q s LEU 49 Ca 0.22 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.67 2k8q s LEU 49 Cb -0.15 -0.73 0.04 0.00 -0.43 0.00 0.00 46.19 44.92 2k8q s LEU 49 CO 0.09 0.12 -0.12 -0.60 -0.29 0.00 0.00 176.35 175.56 2k8q s ARG 50 N -0.78 2.19 -0.22 1.98 6.06 -1.26 -0.49 118.95 126.43 2k8q s ARG 50 Ca 0.04 -0.92 -0.08 0.00 -2.50 0.00 0.00 55.73 52.28 2k8q s ARG 50 Cb -0.07 -2.51 -0.04 0.00 0.06 0.00 0.00 34.95 32.40 2k8q s ARG 50 CO 0.00 -0.42 0.08 -0.51 -2.50 0.00 0.00 175.30 171.96 2k8q s LEU 51 N 1.34 3.65 -0.35 -0.88 1.43 -0.68 -4.43 118.68 118.76 2k8q s LEU 51 Ca -0.02 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2k8q s LEU 51 Cb -0.16 -1.96 0.09 0.00 0.03 0.00 0.00 46.19 44.19 2k8q s LEU 51 CO -0.08 0.05 0.08 -0.60 0.23 0.00 0.00 176.35 176.03 2k8q s ARG 52 N 1.10 1.94 0.30 1.70 3.00 -1.26 -1.29 118.95 124.44 2k8q s ARG 52 Ca 0.05 -1.68 -0.04 0.00 -1.00 0.00 0.00 55.73 53.06 2k8q s ARG 52 Cb -0.14 -3.32 -0.05 0.00 0.00 0.00 0.00 34.95 31.45 2k8q s ARG 52 CO 0.03 -0.89 0.55 -0.06 0.00 0.00 0.00 175.30 174.93 2k8q s PHE 53 N 1.08 3.49 -1.20 5.12 0.08 -1.26 -4.62 117.98 120.66 2k8q s PHE 53 Ca 0.05 0.57 0.14 0.00 0.12 0.00 0.00 56.93 57.82 2k8q s PHE 53 Cb -0.21 -2.06 0.67 0.00 -0.57 0.00 0.00 43.02 40.86 2k8q s PHE 53 CO -0.05 0.16 1.43 -0.35 -0.10 0.00 0.00 175.22 176.31 2k8q n PRO 54 N -1.13 0.10 -2.25 0.24 -0.04 -1.26 -4.76 135.00 125.89 2k8q n PRO 54 Ca -0.02 0.21 -0.05 0.00 -0.04 0.00 0.00 63.50 63.59 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 -1.40 -0.30 -4.35 0.54 8.25 -1.26 -5.10 115.22 111.60 2k8q n HIS 55 Ca 0.05 -0.39 -0.28 0.00 -0.26 0.00 0.00 57.72 56.84 2k8q n HIS 55 Cb 0.14 -0.06 -0.17 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.31 2.06 0.55 -0.41 1.03 -1.26 -4.57 118.70 113.79 2k8q s GLU 56 Ca 0.02 -0.50 0.09 0.00 0.03 0.00 0.00 54.97 54.61 2k8q s GLU 56 Cb -0.00 -1.81 0.07 0.00 -0.80 0.00 0.00 34.13 31.60 2k8q s GLU 56 CO 0.01 -0.10 0.73 -0.51 -1.33 0.00 0.00 175.26 174.06 2k8q s LEU 57 N 1.10 3.12 0.00 1.83 1.43 -1.03 -3.85 118.68 121.29 2k8q s LEU 57 Ca -0.05 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 2k8q s LEU 57 Cb -0.14 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2k8q s LEU 57 CO -0.03 -1.25 -0.03 -0.51 0.23 0.00 0.00 176.35 174.76 2k8q s ILE 58 N -2.64 0.25 -0.42 -0.59 2.07 -0.96 -4.31 121.20 114.60 2k8q s ILE 58 Ca 0.58 -0.26 -0.15 0.00 -1.41 0.00 0.00 60.65 59.41 2k8q s ILE 58 Cb -0.06 -0.24 0.03 0.00 0.13 0.00 0.00 42.46 42.32 2k8q s ILE 58 CO 0.36 -0.01 0.32 -0.62 -1.91 0.00 0.00 174.94 173.09 2k8q s ASP 59 N -0.28 6.12 0.00 4.50 2.15 -1.26 -3.77 116.67 124.12 2k8q s ASP 59 Ca -0.01 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 52.04 2k8q s ASP 59 Cb -0.02 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 2k8q s ASP 59 CO -0.00 -0.48 0.00 -0.67 -0.17 0.00 0.00 175.17 173.85 2k8q n ASP 60 N 5.20 1.96 0.24 -0.34 -0.08 -1.26 -5.00 116.55 117.27 2k8q n ASP 60 Ca -0.11 -0.79 0.12 0.00 -1.51 0.00 0.00 54.79 52.50 2k8q n ASP 60 Cb 0.47 0.00 0.53 0.00 2.34 0.00 0.00 41.12 44.45 2k8q n ASP 60 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2k8q h GLU 61 N 0.00 0.00 0.00 -0.67 -0.00 -2.04 -2.83 114.58 109.04 2k8q h GLU 61 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 59.36 59.18 2k8q h GLU 61 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.72 2k8q h GLU 61 CO 0.00 0.14 -0.85 0.07 -0.00 0.00 0.00 179.01 178.38 2k8q h ARG 62 N 0.00 0.00 -6.65 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 0.67 0.00 0.04 0.00 -0.00 0.00 0.00 29.97 30.68 2k8q h ARG 62 CO 0.02 0.85 0.75 -1.54 -0.00 0.00 0.00 179.97 180.04 2k8q s SER 63 N -6.76 6.75 -0.11 0.08 1.04 -1.07 -4.90 113.70 108.73 2k8q s SER 63 Ca 0.00 2.50 -0.33 0.00 0.48 0.00 0.00 55.95 58.60 2k8q s SER 63 Cb 0.11 -2.60 0.13 0.00 0.10 0.00 0.00 66.02 63.76 2k8q s SER 63 CO 0.80 -0.67 1.27 0.28 0.98 0.00 0.00 173.24 175.89 2k8q s THR 64 N 0.55 0.00 0.02 2.02 -1.32 -0.91 -4.84 115.64 111.16 2k8q s THR 64 Ca 0.62 -0.11 0.07 0.00 -1.21 0.00 0.00 61.69 61.06 2k8q s THR 64 Cb -0.40 -1.52 -0.02 0.00 -1.51 0.00 0.00 72.50 69.06 2k8q s THR 64 CO 0.36 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.57 2k8q s ALA 65 N -2.39 1.72 -0.05 11.08 0.00 -1.26 -0.12 121.76 130.75 2k8q s ALA 65 Ca 0.12 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2k8q s ALA 65 Cb 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2k8q s ALA 65 CO -0.04 0.40 -0.22 -0.65 0.00 0.00 0.00 175.76 175.25 2k8q s GLN 66 N -0.93 2.20 -0.12 0.00 1.11 0.96 -4.97 119.66 117.91 2k8q s GLN 66 Ca 0.07 -0.78 -0.23 0.00 0.01 0.00 0.00 55.36 54.43 2k8q s GLN 66 Cb -0.08 -1.89 -0.03 0.00 -1.01 0.00 0.00 33.01 29.99 2k8q s GLN 66 CO 0.01 0.33 0.71 -0.47 0.01 0.00 0.00 175.29 175.88 2k8q s TYR 67 N -0.11 3.49 -0.27 0.91 5.04 -1.26 -0.98 117.35 124.17 2k8q s TYR 67 Ca -0.03 1.16 -0.07 0.00 -2.44 0.00 0.00 57.07 55.69 2k8q s TYR 67 Cb -0.13 -2.84 -0.01 0.00 0.35 0.00 0.00 41.96 39.33 2k8q s TYR 67 CO 0.03 -0.04 0.08 -0.51 -1.34 0.00 0.00 175.55 173.76 2k8q s ASP 68 N 0.97 5.13 -0.03 4.32 1.11 -0.05 -4.97 116.67 123.16 2k8q s ASP 68 Ca 0.35 -0.40 -0.02 0.00 0.18 0.00 0.00 52.55 52.66 2k8q s ASP 68 Cb -0.17 -1.91 -0.27 0.00 1.07 0.00 0.00 42.92 41.64 2k8q s ASP 68 CO 0.15 -0.10 0.72 0.77 1.18 0.00 0.00 175.17 177.89 2k8q h SER 69 N 8.25 0.35 -0.79 0.27 4.64 -1.93 0.11 113.55 124.44 2k8q h SER 69 Ca -0.36 -0.57 0.23 0.00 -0.47 0.00 0.00 61.79 60.62 2k8q h SER 69 Cb 1.16 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2k8q h SER 69 CO 0.59 1.49 0.57 0.07 -0.87 0.00 0.00 176.83 178.68 2k8q h LYS 70 N 0.06 0.01 0.00 4.77 5.09 -1.95 -1.56 116.57 123.00 2k8q h LYS 70 Ca -0.29 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.45 2k8q h LYS 70 Cb 2.02 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.35 2k8q h LYS 70 CO 0.14 0.01 0.00 -3.47 -2.09 0.00 0.00 179.45 174.03 2k8q n ASP 71 N -4.31 0.44 -2.02 7.07 2.03 -1.25 -5.00 116.55 113.52 2k8q n ASP 71 Ca 0.16 -0.72 -0.20 0.00 0.52 0.00 0.00 54.79 54.55 2k8q n ASP 71 Cb 0.85 0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 41.72 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 -0.50 -1.52 -3.95 -0.67 1.02 0.23 -4.92 120.64 110.33 2k8q n GLU 72 Ca 0.00 1.04 -0.24 0.00 -0.02 0.00 0.00 57.16 57.94 2k8q n GLU 72 Cb 0.01 -5.56 -0.05 0.00 -0.02 0.00 0.00 31.44 25.82 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 -2.58 2.29 -0.20 0.00 -1.09 0.38 -0.87 121.20 119.12 2k8q s ILE 74 Ca 0.42 -0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 57.82 2k8q s ILE 74 Cb 0.01 -1.87 -0.02 0.00 -1.58 0.00 0.00 42.46 39.00 2k8q s ILE 74 CO 0.24 0.56 0.00 0.20 -1.23 0.00 0.00 174.94 174.71 2k8q s ASN 75 N -0.03 4.81 -0.16 3.58 0.01 -0.16 -0.59 114.94 122.40 2k8q s ASN 75 Ca -0.07 -0.21 -0.00 0.00 -0.71 0.00 0.00 52.86 51.87 2k8q s ASN 75 Cb -0.15 -1.82 -0.00 0.00 0.41 0.00 0.00 41.25 39.69 2k8q s ASN 75 CO 0.05 0.06 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.87 2k8q s VAL 76 N 1.05 2.80 -0.06 1.60 1.01 0.12 -0.02 120.40 126.90 2k8q s VAL 76 Ca 0.02 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2k8q s VAL 76 Cb -0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2k8q s VAL 76 CO 0.02 0.50 -0.10 -0.75 0.00 0.00 0.00 175.10 174.77 2k8q s LYS 77 N 0.87 2.65 -0.18 2.72 2.36 0.83 -0.88 119.74 128.12 2k8q s LYS 77 Ca -0.04 -0.61 -0.09 0.00 -2.55 0.00 0.00 55.97 52.69 2k8q s LYS 77 Cb -0.15 -2.51 0.07 0.00 -1.05 0.00 0.00 37.83 34.19 2k8q s LYS 77 CO -0.01 0.65 0.42 0.54 1.55 0.00 0.00 175.35 178.50 2k8q s VAL 78 N -0.78 -0.14 0.47 4.02 0.11 -1.01 -2.14 120.40 120.93 2k8q s VAL 78 Ca 0.12 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.07 2k8q s VAL 78 Cb -0.11 -0.63 -0.09 0.00 -1.53 0.00 0.00 36.38 34.02 2k8q s VAL 78 CO 0.01 0.04 1.04 0.00 -3.33 0.00 0.00 175.10 172.86 2k8q s ALA 79 N 1.63 2.90 0.03 1.54 0.00 -1.25 -1.11 121.76 125.51 2k8q s ALA 79 Ca -0.08 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.51 2k8q s ALA 79 Cb -0.09 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2k8q s ALA 79 CO -0.13 -0.30 0.07 0.21 0.00 0.00 0.00 175.76 175.61 2k8q s LYS 80 N -3.13 2.94 0.22 0.00 2.36 -1.26 -2.27 119.74 118.61 2k8q s LYS 80 Ca 0.66 -0.59 -0.08 0.00 -2.55 0.00 0.00 55.97 53.41 2k8q s LYS 80 Cb -0.17 -2.77 0.33 0.00 -1.05 0.00 0.00 37.83 34.17 2k8q s LYS 80 CO 0.21 0.61 1.74 -0.07 1.55 0.00 0.00 175.35 179.39 2k8q h LEU 81 N 3.81 0.27 -8.82 5.43 3.38 -1.88 -3.42 115.31 114.07 2k8q h LEU 81 Ca -0.48 0.08 -0.69 0.00 0.09 0.00 0.00 57.88 56.88 2k8q h LEU 81 Cb 1.17 0.06 -0.25 0.00 0.09 0.00 0.00 40.66 41.73 2k8q h LEU 81 CO 0.63 0.14 -0.85 0.20 0.09 0.00 0.00 178.44 178.65 2k8q s ASN 82 N -5.39 3.42 0.61 -0.43 0.01 -1.26 -5.11 114.94 106.79 2k8q s ASN 82 Ca -0.13 -0.52 -0.10 0.00 -0.71 0.00 0.00 52.86 51.40 2k8q s ASN 82 Cb 0.18 -0.42 -0.03 0.00 0.41 0.00 0.00 41.25 41.39 2k8q s ASN 82 CO 0.75 0.26 0.99 -0.75 -1.51 0.00 0.00 177.10 176.84 2k8q s LYS 83 N -1.30 3.45 -1.47 -0.60 2.20 -1.26 -3.75 119.74 117.01 2k8q s LYS 83 Ca 0.13 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 2k8q s LYS 83 Cb -0.10 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 2k8q s LYS 83 CO 0.03 -0.58 0.00 0.09 -0.36 0.00 0.00 175.35 174.53 2k8q n ASN 84 N -2.70 -5.41 -4.72 1.43 5.03 -0.83 -4.80 115.26 103.25 2k8q n ASN 84 Ca 0.05 0.34 -0.41 0.00 0.87 0.00 0.00 54.58 55.43 2k8q n ASN 84 Cb 0.55 -4.13 -0.04 0.00 -1.02 0.00 0.00 39.78 35.14 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 -3.12 4.64 0.43 3.52 2.56 -1.25 -4.96 118.70 120.53 2k8q s GLU 85 Ca 0.00 1.41 0.07 0.00 0.00 0.00 0.00 54.97 56.46 2k8q s GLU 85 Cb 0.00 -3.40 -0.02 0.00 2.00 0.00 0.00 34.13 32.71 2k8q s GLU 85 CO 0.00 0.14 0.37 1.52 -0.56 0.00 0.00 175.26 176.73 2k8q s TYR 86 N 0.31 2.56 0.16 5.30 1.13 -1.26 -4.67 117.35 120.88 2k8q s TYR 86 Ca 0.48 -0.54 0.00 0.00 -1.41 0.00 0.00 57.07 55.60 2k8q s TYR 86 Cb -0.22 -2.13 -0.04 0.00 -1.10 0.00 0.00 41.96 38.46 2k8q s TYR 86 CO 0.29 -0.15 0.04 -0.06 -2.51 0.00 0.00 175.55 173.15 2k8q s PHE 87 N -2.52 1.09 0.00 -3.49 0.40 -1.26 -4.99 117.98 107.22 2k8q s PHE 87 Ca 0.46 -1.14 0.00 0.00 -0.60 0.00 0.00 56.93 55.66 2k8q s PHE 87 Cb -0.02 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.89 2k8q s PHE 87 CO 0.27 -0.37 0.00 -0.85 0.70 0.00 0.00 175.22 174.97 2k8q n GLU 88 N -0.20 0.73 0.25 0.44 0.28 -1.26 -4.74 120.64 116.14 2k8q n GLU 88 Ca -0.05 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.04 2k8q n GLU 88 Cb 0.64 -0.84 0.64 0.00 1.43 0.00 0.00 31.44 33.32 2k8q n GLU 88 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2k8q h ASP 89 N 0.00 0.00 0.02 -1.84 1.82 -1.94 -1.71 116.42 112.77 2k8q h ASP 89 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k8q h ASP 89 Cb 0.67 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.68 2k8q h ASP 89 CO 0.00 0.13 0.00 -0.07 -1.61 0.00 0.00 179.24 177.69 2k8q h LEU 90 N 0.00 0.00 -1.90 2.28 3.38 -1.93 0.22 115.31 117.36 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 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2k8q h LEU 90 CO 0.02 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.88 2k8q n ASP 91 N -2.71 2.76 -3.50 -0.43 -0.08 -0.64 -4.53 116.55 107.42 2k8q n ASP 91 Ca -0.02 -2.01 -0.23 0.00 -1.51 0.00 0.00 54.79 51.01 2k8q n ASP 91 Cb 0.06 -0.35 -0.13 0.00 2.34 0.00 0.00 41.12 43.04 2k8q n ASP 91 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2k8q s LEU 92 N -1.02 0.17 0.00 -2.67 1.43 0.76 -4.99 118.68 112.35 2k8q s LEU 92 Ca 0.34 -0.83 0.15 0.00 -1.03 0.00 0.00 54.13 52.76 2k8q s LEU 92 Cb 0.18 0.05 0.67 0.00 0.03 0.00 0.00 46.19 47.12 2k8q s LEU 92 CO 0.23 -0.39 1.44 -0.81 0.23 0.00 0.00 176.35 177.05 2k8q n PRO 93 N 5.29 0.10 -0.04 1.29 -0.04 -1.26 -2.43 135.00 137.90 2k8q n PRO 93 Ca -0.05 0.20 -0.08 0.00 -0.04 0.00 0.00 63.50 63.54 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 -1.40 1.46 0.01 0.52 -2.24 -1.26 -3.63 114.28 107.74 2k8q n THR 94 Ca 0.05 -0.80 -0.08 0.00 -2.27 0.00 0.00 64.05 60.95 2k8q n THR 94 Cb 0.14 -0.80 0.09 0.00 -2.10 0.00 0.00 70.33 67.66 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 0.52 -0.11 -0.78 1.79 -1.79 -2.57 116.57 113.63 2k8q h LYS 95 Ca -0.35 -0.30 -0.08 0.00 -2.18 0.00 0.00 60.65 57.74 2k8q h LYS 95 Cb 2.02 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.70 2k8q h LYS 95 CO 0.06 0.89 -0.24 -0.07 -1.08 0.00 0.00 179.45 179.01 2k8q h LEU 96 N 0.42 0.41 -2.30 2.94 3.38 -1.72 -3.06 115.31 115.38 2k8q h LEU 96 Ca 0.02 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 2k8q h LEU 96 Cb 1.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2k8q h LEU 96 CO 0.09 0.90 -0.05 -0.07 0.09 0.00 0.00 178.44 179.41 2k8q h LEU 97 N -0.07 0.00 -6.61 1.67 4.07 -1.62 -3.32 115.31 109.43 2k8q h LEU 97 Ca 0.00 0.00 -0.72 0.00 0.08 0.00 0.00 57.88 57.24 2k8q h LEU 97 Cb 0.84 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.50 2k8q h LEU 97 CO 0.05 0.05 2.56 0.00 -1.08 0.00 0.00 178.44 180.02 2k8q n ALA 98 N -2.23 4.98 -0.65 1.53 0.00 -0.97 -4.36 120.51 118.80 2k8q n ALA 98 Ca -0.02 -4.00 0.01 0.00 0.00 0.00 0.00 53.44 49.42 2k8q n ALA 98 Cb 0.16 -3.39 0.01 0.00 0.00 0.00 0.00 19.45 16.23 2k8q n ALA 98 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k8q n ARG 99 N 6.00 1.40 -3.01 0.00 -4.01 -1.25 -4.98 116.66 110.81 2k8q n ARG 99 Ca 0.47 -1.13 -0.24 0.00 -1.04 0.00 0.00 57.85 55.91 2k8q n ARG 99 Cb 0.40 -0.79 0.00 0.00 -3.04 0.00 0.00 32.46 29.03 2k8q n ARG 99 CO 0.00 0.00 0.00 1.14 -3.04 0.00 0.00 177.63 175.73 2k8q s GLN 100 N -0.65 3.25 0.00 2.89 1.03 -1.26 -4.45 119.66 120.46 2k8q s GLN 100 Ca 0.02 -0.31 0.00 0.00 0.04 0.00 0.00 55.36 55.11 2k8q s GLN 100 Cb 0.02 -2.54 0.00 0.00 0.03 0.00 0.00 33.01 30.52 2k8q s GLN 100 CO 0.00 -0.16 0.00 0.41 -2.54 0.00 0.00 175.29 173.00 2k8q n GLY 101 N -2.05 0.98 3.16 2.60 0.00 -1.26 -4.86 105.19 103.76 2k8q n GLY 101 Ca -0.00 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 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 5.47 -1.51 1.61 1.01 -1.26 -4.61 116.67 113.38 2k8q s ASP 102 Ca 0.00 -2.03 -0.05 0.00 0.71 0.00 0.00 52.55 51.18 2k8q s ASP 102 Cb 0.00 -1.91 0.01 0.00 1.01 0.00 0.00 42.92 42.02 2k8q s ASP 102 CO 0.00 -0.60 0.69 -0.11 0.21 0.00 0.00 175.17 175.36 2k8q n LEU 103 N 4.67 -2.79 -0.02 1.23 -0.00 -1.26 -4.88 117.00 113.94 2k8q n LEU 103 Ca -0.04 -0.32 0.06 0.00 -0.00 0.00 0.00 56.01 55.71 2k8q n LEU 103 Cb 0.41 -2.96 -0.15 0.00 -0.00 0.00 0.00 43.42 40.72 2k8q n LEU 103 CO 0.37 0.29 -0.75 0.00 -0.00 0.00 0.00 177.39 177.31 2k8q n ALA 104 N -3.75 2.45 -0.00 1.96 0.00 -1.26 -4.47 120.51 115.44 2k8q n ALA 104 Ca -0.09 -0.67 -0.17 0.00 0.00 0.00 0.00 53.44 52.50 2k8q n ALA 104 Cb 0.61 -0.67 -0.13 0.00 0.00 0.00 0.00 19.45 19.26 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 3.98 0.24 -7.07 0.00 0.00 -1.90 -3.44 103.07 94.89 2k8q h GLY 105 Ca -0.13 -0.53 -0.58 0.00 0.00 0.00 0.00 47.33 46.09 2k8q h GLY 105 CO 0.01 0.47 1.51 0.00 0.00 0.00 0.00 176.54 178.53 2k8q n ALA 106 N -2.61 1.57 -3.17 3.60 0.00 -1.26 -4.93 120.51 113.71 2k8q n ALA 106 Ca -0.12 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 2k8q n ALA 106 Cb 0.65 -2.92 -0.10 0.00 0.00 0.00 0.00 19.45 17.08 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 8.81 -0.11 0.00 0.00 -4.77 -1.26 -5.06 116.67 114.28 2k8q s ASP 107 Ca 1.02 0.02 0.01 0.00 -3.30 0.00 0.00 52.55 50.30 2k8q s ASP 107 Cb -0.37 0.30 -0.01 0.00 -1.09 0.00 0.00 42.92 41.75 2k8q s ASP 107 CO 0.35 -0.36 -0.05 0.00 0.70 0.00 0.00 175.17 175.82 2k8q s ALA 108 N -1.14 0.38 -0.06 2.11 0.00 -1.26 -5.04 121.76 116.75 2k8q s ALA 108 Ca -0.12 -0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.36 2k8q s ALA 108 Cb -0.06 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.03 2k8q s ALA 108 CO 0.03 0.08 0.51 -0.48 0.00 0.00 0.00 175.76 175.89 2k8q s LEU 109 N -0.26 0.03 -0.25 0.00 0.05 -1.26 -5.15 118.68 111.84 2k8q s LEU 109 Ca 0.00 0.54 -0.02 0.00 0.05 0.00 0.00 54.13 54.70 2k8q s LEU 109 Cb -0.03 1.92 0.14 0.00 -2.05 0.00 0.00 46.19 46.18 2k8q s LEU 109 CO -0.00 -0.47 0.40 0.42 -0.55 0.00 0.00 176.35 176.15 2k8q s THR 110 N -0.97 -0.65 0.52 5.48 -4.23 -1.26 -5.05 115.64 109.48 2k8q s THR 110 Ca -0.10 -0.08 0.05 0.00 -1.18 0.00 0.00 61.69 60.38 2k8q s THR 110 Cb -0.03 -0.85 0.02 0.00 1.34 0.00 0.00 72.50 72.98 2k8q s THR 110 CO 0.06 -0.12 0.31 -1.61 -0.54 0.00 0.00 174.62 172.72 2k8q s GLU 111 N 2.58 2.26 -0.01 3.99 2.02 -1.26 -5.06 118.70 123.22 2k8q s GLU 111 Ca 0.13 -2.03 -0.34 0.00 0.02 0.00 0.00 54.97 52.74 2k8q s GLU 111 Cb -0.15 -2.01 -0.13 0.00 0.10 0.00 0.00 34.13 31.94 2k8q s GLU 111 CO -0.17 -0.50 1.76 0.09 0.02 0.00 0.00 175.26 176.46 2k8q n ASN 112 N -1.62 3.22 -4.74 -0.19 4.13 -1.26 -4.95 115.26 109.85 2k8q n ASN 112 Ca -0.04 1.02 -0.29 0.00 1.68 0.00 0.00 54.58 56.95 2k8q n ASN 112 Cb 0.65 -1.37 0.15 0.00 -1.54 0.00 0.00 39.78 37.67 2k8q n ASN 112 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2k8q s THR 113 N 2.93 2.00 0.03 3.41 -4.23 -1.26 -5.09 115.64 113.42 2k8q s THR 113 Ca 0.88 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.32 2k8q s THR 113 Cb -0.72 -2.68 -0.00 0.00 1.34 0.00 0.00 72.50 70.45 2k8q s THR 113 CO 0.48 0.00 0.15 -0.62 -0.54 0.00 0.00 174.62 174.09 2k8q s ASP 114 N -3.87 0.08 0.60 3.99 2.15 -1.26 -5.18 116.67 113.18 2k8q s ASP 114 Ca 0.64 -0.38 0.06 0.00 0.43 0.00 0.00 52.55 53.30 2k8q s ASP 114 Cb -0.16 0.25 0.09 0.00 -0.30 0.00 0.00 42.92 42.80 2k8q s ASP 114 CO 0.55 -0.50 0.83 0.00 -0.17 0.00 0.00 175.17 175.88 2k8q s ALA 115 N -2.28 4.33 0.33 3.66 0.00 -1.26 -4.80 121.76 121.74 2k8q s ALA 115 Ca -0.07 -1.92 -0.13 0.00 0.00 0.00 0.00 51.96 49.84 2k8q s ALA 115 Cb -0.03 -1.68 -0.08 0.00 0.00 0.00 0.00 23.12 21.33 2k8q s ALA 115 CO -0.03 -0.98 0.71 -1.59 0.00 0.00 0.00 175.76 173.87 2k8q s LYS 116 N -4.79 3.91 0.16 0.00 0.00 -1.26 -4.96 119.74 112.80 2k8q s LYS 116 Ca 0.62 0.55 -0.24 0.00 0.00 0.00 0.00 55.97 56.89 2k8q s LYS 116 Cb -0.06 -2.46 0.06 0.00 0.00 0.00 0.00 37.83 35.37 2k8q s LYS 116 CO 0.40 0.13 0.87 -1.59 0.00 0.00 0.00 175.35 175.17 2k8q s LYS 117 N -3.19 1.28 0.34 1.78 0.00 -1.26 -5.14 119.74 113.54 2k8q s LYS 117 Ca 0.52 -0.67 -0.28 0.00 0.00 0.00 0.00 55.97 55.54 2k8q s LYS 117 Cb -0.10 0.46 -0.12 0.00 0.00 0.00 0.00 37.83 38.06 2k8q s LYS 117 CO 0.22 -0.58 1.23 2.41 0.00 0.00 0.00 175.35 178.62 2k8q n THR 118 N -0.43 2.03 -1.92 3.79 -1.04 -1.26 -4.84 114.28 110.60 2k8q n THR 118 Ca -0.07 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.03 2k8q n THR 118 Cb 0.61 -1.45 -0.03 0.00 -1.82 0.00 0.00 70.33 67.64 2k8q n THR 118 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2k8q s GLN 119 N -1.83 2.98 -0.43 -2.82 -0.21 -1.26 -4.85 119.66 111.24 2k8q s GLN 119 Ca 0.56 1.26 0.07 0.00 0.02 0.00 0.00 55.36 57.28 2k8q s GLN 119 Cb -0.59 -4.31 0.25 0.00 1.00 0.00 0.00 33.01 29.36 2k8q s GLN 119 CO 0.62 -2.28 0.69 1.63 -2.12 0.00 0.00 175.29 173.83 2k8q n LYS 120 N 8.73 0.76 -2.10 2.91 5.02 -1.26 -5.11 118.16 127.11 2k8q n LYS 120 Ca 0.24 -2.60 -0.43 0.00 -2.02 0.00 0.00 58.31 53.51 2k8q n LYS 120 Cb 0.49 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 2k8q n LYS 120 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k8q s PRO 121 N -0.44 3.55 -0.26 1.97 0.04 -1.26 -4.95 135.00 133.64 2k8q s PRO 121 Ca 0.34 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 2k8q s PRO 121 Cb 0.20 -4.11 0.14 0.00 0.04 0.00 0.00 34.50 30.78 2k8q s PRO 121 CO -0.16 -1.59 0.37 -1.17 0.04 0.00 0.00 177.00 174.49 2k8q s LEU 122 N 6.00 -0.62 -0.18 -3.56 2.96 -1.26 -5.14 118.68 116.87 2k8q s LEU 122 Ca 0.74 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 54.46 2k8q s LEU 122 Cb -0.22 1.02 -0.03 0.00 0.50 0.00 0.00 46.19 47.45 2k8q s LEU 122 CO 0.32 -0.33 0.02 -0.63 -1.32 0.00 0.00 176.35 174.40 2k8q s ILE 123 N 2.52 4.29 0.83 6.68 1.01 -1.26 -5.11 121.20 130.16 2k8q s ILE 123 Ca 0.11 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 2k8q s ILE 123 Cb -0.14 -2.92 0.14 0.00 0.01 0.00 0.00 42.46 39.54 2k8q s ILE 123 CO -0.23 0.46 1.16 0.00 0.00 0.00 0.00 174.94 176.33 2k8q s GLN 124 N 0.57 1.38 0.16 2.79 -2.07 -1.26 -5.09 119.66 116.14 2k8q s GLN 124 Ca 0.00 -0.46 0.04 0.00 -1.82 0.00 0.00 55.36 53.12 2k8q s GLN 124 Cb -0.14 -2.04 -0.04 0.00 -1.09 0.00 0.00 33.01 29.71 2k8q s GLN 124 CO 0.02 -1.84 0.21 -1.21 -1.32 0.00 0.00 175.29 171.15 2k8q s GLU 125 N -5.54 3.15 0.04 9.60 2.02 -1.26 -5.07 118.70 121.64 2k8q s GLU 125 Ca 0.68 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.61 2k8q s GLU 125 Cb -0.07 -2.79 -0.06 0.00 0.10 0.00 0.00 34.13 31.31 2k8q s GLU 125 CO 0.49 0.50 1.42 0.08 0.02 0.00 0.00 175.26 177.76 2k8q s VAL 126 N -1.76 3.55 0.98 2.63 1.01 -1.26 -4.98 120.40 120.57 2k8q s VAL 126 Ca 0.33 1.00 -0.12 0.00 0.00 0.00 0.00 61.98 63.18 2k8q s VAL 126 Cb -0.10 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.74 2k8q s VAL 126 CO 0.26 0.02 0.70 -0.62 0.00 0.00 0.00 175.10 175.46 2k8q n GLU 127 N 5.00 -0.73 -4.29 2.72 -0.58 -1.26 -5.03 120.64 116.47 2k8q n GLU 127 Ca 0.13 -0.16 -0.21 0.00 -0.42 0.00 0.00 57.16 56.50 2k8q n GLU 127 Cb 0.43 -2.07 -0.16 0.00 -0.57 0.00 0.00 31.44 29.07 2k8q n GLU 127 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2k8q s THR 128 N -2.47 0.69 0.39 2.62 -1.32 -1.26 -5.02 115.64 109.27 2k8q s THR 128 Ca 0.62 -0.24 0.15 0.00 -1.21 0.00 0.00 61.69 61.01 2k8q s THR 128 Cb -0.21 -0.67 0.36 0.00 -1.51 0.00 0.00 72.50 70.47 2k8q s THR 128 CO 0.64 0.25 1.84 -0.78 -2.21 0.00 0.00 174.62 174.36 2k8q h ASP 129 N 6.95 0.50 0.00 8.08 3.58 -2.07 -3.47 116.42 129.99 2k8q h ASP 129 Ca -0.36 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2k8q h ASP 129 Cb 1.16 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2k8q h ASP 129 CO 0.48 0.20 0.00 0.61 -2.88 0.00 0.00 179.24 177.65 2k8q n GLY 130 N -1.48 2.39 3.52 -0.78 0.00 -1.26 -5.07 105.19 102.51 2k8q n GLY 130 Ca 0.20 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.06 2.00 0.03 1.61 -7.23 -1.26 -5.06 120.40 110.43 2k8q s VAL 131 Ca 0.00 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 59.93 2k8q s VAL 131 Cb 0.00 -2.00 0.05 0.00 0.56 0.00 0.00 36.38 34.99 2k8q s VAL 131 CO 0.00 -0.00 0.54 -0.44 -0.31 0.00 0.00 175.10 174.89 2k8q s SER 132 N -2.47 -0.47 0.50 4.85 0.01 -1.26 -5.18 113.70 109.67 2k8q s SER 132 Ca 0.68 0.28 0.03 0.00 1.31 0.00 0.00 55.95 58.25 2k8q s SER 132 Cb -0.25 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.46 2k8q s SER 132 CO 0.63 -0.69 0.10 0.20 0.41 0.00 0.00 173.24 173.90 2k8q s ASN 133 N -1.79 4.23 0.00 2.44 0.01 -1.26 -5.34 114.94 113.23 2k8q s ASN 133 Ca -0.07 -1.49 0.32 0.00 -0.71 0.00 0.00 52.86 50.91 2k8q s ASN 133 Cb -0.01 0.31 1.82 0.00 0.41 0.00 0.00 41.25 43.78 2k8q s ASN 133 CO 0.01 -0.83 2.18 0.59 -1.51 0.00 0.00 177.10 177.54