#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 1.31 -3.67 -0.61 2.04 -1.97 -3.45 117.51 111.16 2k8q h ILE 2 Ca 0.00 -2.14 -0.56 0.00 1.00 0.00 0.00 64.86 63.16 2k8q h ILE 2 Cb 0.00 2.16 0.14 0.00 -0.74 0.00 0.00 36.82 38.38 2k8q h ILE 2 CO 0.00 0.66 0.40 1.07 0.00 0.00 0.00 178.15 180.29 2k8q n THR 3 N -3.87 3.29 -0.03 -0.27 5.66 -1.26 -4.94 114.28 112.86 2k8q n THR 3 Ca -0.08 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.29 2k8q n THR 3 Cb 0.78 -1.45 -0.09 0.00 -1.55 0.00 0.00 70.33 68.02 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 1.39 0.11 -3.04 1.09 0.13 -1.88 -3.47 132.00 126.33 2k8q h PRO 4 Ca -0.49 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.50 2k8q h PRO 4 Cb 1.32 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 2k8q h PRO 4 CO 0.56 0.57 -0.14 1.03 -0.23 0.00 0.00 178.00 179.79 2k8q s ARG 5 N -4.27 0.88 -0.29 0.86 3.00 -1.26 -5.08 118.95 112.80 2k8q s ARG 5 Ca -0.15 -0.35 -0.16 0.00 0.00 0.00 0.00 55.73 55.06 2k8q s ARG 5 Cb 0.03 0.39 0.13 0.00 0.00 0.00 0.00 34.95 35.50 2k8q s ARG 5 CO 0.70 -0.29 0.94 -0.59 0.00 0.00 0.00 175.30 176.05 2k8q s PHE 6 N -2.33 -0.64 0.01 -0.53 -0.71 -1.26 -1.01 117.98 111.50 2k8q s PHE 6 Ca -0.06 1.29 0.06 0.00 -1.04 0.00 0.00 56.93 57.18 2k8q s PHE 6 Cb -0.01 0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 2k8q s PHE 6 CO -0.01 -0.32 -0.19 -1.12 -1.34 0.00 0.00 175.22 172.24 2k8q s SER 7 N 1.33 2.24 0.00 1.98 0.01 0.07 -4.95 113.70 114.39 2k8q s SER 7 Ca -0.09 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 56.80 2k8q s SER 7 Cb -0.04 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2k8q s SER 7 CO -0.15 0.19 -0.09 -0.63 0.41 0.00 0.00 173.24 172.97 2k8q s ILE 8 N -0.59 3.47 0.16 1.44 1.01 -1.26 0.10 121.20 125.53 2k8q s ILE 8 Ca 0.07 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.98 2k8q s ILE 8 Cb -0.08 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2k8q s ILE 8 CO 0.00 0.41 -0.16 -0.89 0.00 0.00 0.00 174.94 174.30 2k8q s THR 9 N -0.95 1.65 0.02 2.92 2.01 0.82 -4.84 115.64 117.27 2k8q s THR 9 Ca 0.16 -1.91 0.05 0.00 0.31 0.00 0.00 61.69 60.30 2k8q s THR 9 Cb -0.11 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2k8q s THR 9 CO 0.06 -0.39 -0.12 -1.10 -0.69 0.00 0.00 174.62 172.38 2k8q s GLN 10 N -2.90 2.34 0.41 4.92 1.11 -1.26 -1.27 119.66 123.01 2k8q s GLN 10 Ca 0.15 -0.84 0.03 0.00 0.01 0.00 0.00 55.36 54.72 2k8q s GLN 10 Cb -0.05 -2.36 -0.03 0.00 -1.01 0.00 0.00 33.01 29.57 2k8q s GLN 10 CO 0.05 0.57 0.11 -0.51 0.01 0.00 0.00 175.29 175.53 2k8q s ASP 11 N -1.41 2.91 -0.26 5.90 1.11 -0.77 -4.91 116.67 119.22 2k8q s ASP 11 Ca 0.16 -1.64 0.05 0.00 0.18 0.00 0.00 52.55 51.30 2k8q s ASP 11 Cb -0.11 0.44 0.49 0.00 1.07 0.00 0.00 42.92 44.81 2k8q s ASP 11 CO 0.06 -0.89 1.55 -1.84 1.18 0.00 0.00 175.17 175.24 2k8q n GLU 12 N -0.93 2.40 0.00 8.23 0.28 -1.26 -4.25 120.64 125.11 2k8q n GLU 12 Ca -0.07 -2.09 0.00 0.00 -0.16 0.00 0.00 57.16 54.84 2k8q n GLU 12 Cb 0.65 -1.87 0.00 0.00 1.43 0.00 0.00 31.44 31.65 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 -0.31 0.00 -2.77 3.44 0.28 -1.26 -3.74 120.64 116.27 2k8q n GLU 13 Ca 0.35 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.28 2k8q n GLU 13 Cb 1.19 -0.13 0.01 0.00 1.43 0.00 0.00 31.44 33.93 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 -1.53 -1.63 -4.08 -1.84 -1.74 -1.26 -4.33 117.46 101.05 2k8q n PHE 14 Ca 0.00 -1.21 -0.35 0.00 -0.56 0.00 0.00 57.45 55.33 2k8q n PHE 14 Cb 0.00 0.50 -0.07 0.00 1.52 0.00 0.00 39.48 41.43 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 -2.51 4.98 -0.38 1.97 -1.09 0.28 -1.85 121.20 122.60 2k8q s ILE 15 Ca 0.12 -0.08 0.04 0.00 -2.23 0.00 0.00 60.65 58.50 2k8q s ILE 15 Cb -0.02 -3.18 0.11 0.00 -1.58 0.00 0.00 42.46 37.78 2k8q s ILE 15 CO 0.09 0.54 0.10 0.12 -1.23 0.00 0.00 174.94 174.56 2k8q s PHE 16 N -1.04 3.53 -0.23 3.97 5.36 -0.40 -1.81 117.98 127.37 2k8q s PHE 16 Ca 0.17 -2.97 -0.13 0.00 -0.96 0.00 0.00 56.93 53.03 2k8q s PHE 16 Cb -0.12 -2.83 -0.04 0.00 -0.34 0.00 0.00 43.02 39.69 2k8q s PHE 16 CO 0.06 -0.90 0.29 -1.17 -1.46 0.00 0.00 175.22 172.04 2k8q s LEU 17 N 0.69 4.12 -0.09 6.12 2.96 0.42 -0.12 118.68 132.78 2k8q s LEU 17 Ca 0.12 0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 54.33 2k8q s LEU 17 Cb -0.20 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 2k8q s LEU 17 CO -0.07 -0.03 -0.04 -1.59 -1.32 0.00 0.00 176.35 173.30 2k8q s LYS 18 N 1.31 3.01 -0.10 1.98 -2.85 0.12 -0.07 119.74 123.13 2k8q s LYS 18 Ca 0.13 -0.50 0.03 0.00 -1.00 0.00 0.00 55.97 54.64 2k8q s LYS 18 Cb -0.14 -2.72 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 2k8q s LYS 18 CO 0.07 0.59 -0.22 0.42 0.10 0.00 0.00 175.35 176.31 2k8q s ILE 19 N -0.59 1.91 -0.10 3.79 1.09 0.03 -0.75 121.20 126.58 2k8q s ILE 19 Ca 0.09 -0.92 -0.21 0.00 -1.10 0.00 0.00 60.65 58.51 2k8q s ILE 19 Cb -0.12 -1.67 -0.04 0.00 -1.06 0.00 0.00 42.46 39.57 2k8q s ILE 19 CO 0.02 0.53 0.58 -0.36 -0.10 0.00 0.00 174.94 175.61 2k8q s PHE 20 N 0.51 3.53 -0.04 3.97 0.08 -0.18 -0.90 117.98 124.94 2k8q s PHE 20 Ca -0.15 1.04 -0.16 0.00 0.12 0.00 0.00 56.93 57.77 2k8q s PHE 20 Cb -0.17 -2.68 0.03 0.00 -0.57 0.00 0.00 43.02 39.63 2k8q s PHE 20 CO 0.06 0.10 0.36 0.96 -0.10 0.00 0.00 175.22 176.60 2k8q s ILE 21 N 0.82 0.04 1.26 0.64 -4.36 -1.23 -4.02 121.20 114.35 2k8q s ILE 21 Ca 0.31 -0.35 -0.21 0.00 -0.26 0.00 0.00 60.65 60.14 2k8q s ILE 21 Cb -0.16 -0.64 0.32 0.00 1.25 0.00 0.00 42.46 43.22 2k8q s ILE 21 CO 0.14 -0.19 1.05 -1.20 0.24 0.00 0.00 174.94 174.97 2k8q n SER 22 N 1.50 -2.46 -0.93 4.36 7.64 -1.26 -4.59 113.62 117.88 2k8q n SER 22 Ca -0.20 -1.11 0.05 0.00 1.01 0.00 0.00 58.87 58.62 2k8q n SER 22 Cb 0.56 -1.00 0.19 0.00 -1.01 0.00 0.00 64.21 62.96 2k8q n SER 22 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2k8q n ASN 23 N -5.03 2.66 -3.71 6.43 0.23 -1.26 -4.95 115.26 109.63 2k8q n ASN 23 Ca 0.15 -2.19 -0.25 0.00 -0.53 0.00 0.00 54.58 51.76 2k8q n ASN 23 Cb 0.59 -0.39 0.21 0.00 -2.08 0.00 0.00 39.78 38.11 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 0.54 0.00 -1.55 1.53 -5.35 -1.26 -4.68 119.36 108.58 2k8q n ILE 24 Ca 0.14 -0.13 -0.25 0.00 -0.27 0.00 0.00 62.75 62.24 2k8q n ILE 24 Cb 0.49 -0.72 -0.05 0.00 -1.74 0.00 0.00 39.64 37.62 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 -3.43 0.79 -1.75 6.28 1.85 -1.26 -4.89 116.66 114.25 2k8q n ARG 25 Ca 0.07 -0.41 -0.42 0.00 -1.00 0.00 0.00 57.85 56.09 2k8q n ARG 25 Cb 0.50 -3.52 -0.01 0.00 -1.05 0.00 0.00 32.46 28.37 2k8q n ARG 25 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2k8q n PHE 26 N 17.12 2.84 0.00 2.89 -0.00 -1.26 -4.95 117.46 134.10 2k8q n PHE 26 Ca 0.42 0.30 0.00 0.00 -0.00 0.00 0.00 57.45 58.17 2k8q n PHE 26 Cb 0.48 -2.58 0.00 0.00 -0.00 0.00 0.00 39.48 37.38 2k8q n PHE 26 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2k8q n SER 27 N 1.86 0.00 -3.78 -2.13 7.64 -1.26 -4.87 113.62 111.09 2k8q n SER 27 Ca 0.07 0.71 -0.26 0.00 1.01 0.00 0.00 58.87 60.40 2k8q n SER 27 Cb 0.37 -0.21 0.04 0.00 -1.01 0.00 0.00 64.21 63.40 2k8q n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8q n ALA 28 N -1.40 -1.55 0.00 -0.43 0.00 -1.26 -4.85 120.51 111.01 2k8q n ALA 28 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2k8q n ALA 28 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 15.68 2k8q n ALA 28 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2k8q n VAL 29 N -4.58 0.00 -2.12 0.00 0.24 -1.26 -4.86 118.33 105.75 2k8q n VAL 29 Ca -0.08 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.26 2k8q n VAL 29 Cb 0.58 -0.44 0.08 0.00 -1.47 0.00 0.00 33.84 32.59 2k8q n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k8q n GLY 30 N 2.59 2.32 3.65 7.63 0.00 -1.26 -5.07 105.19 115.04 2k8q n GLY 30 Ca 0.00 -0.90 -0.47 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.11 3.52 -2.74 0.99 4.77 -1.26 -4.71 117.00 117.46 2k8q n LEU 31 Ca 0.10 0.85 -0.02 0.00 -0.03 0.00 0.00 56.01 56.91 2k8q n LEU 31 Cb 0.95 -1.42 0.02 0.00 -2.33 0.00 0.00 43.42 40.64 2k8q n LEU 31 CO -0.03 -0.09 0.43 -1.61 -1.33 0.00 0.00 177.39 174.75 2k8q s GLU 32 N 4.54 0.31 0.08 3.23 2.02 -1.26 -4.99 118.70 122.62 2k8q s GLU 32 Ca 0.94 -0.24 -0.30 0.00 0.02 0.00 0.00 54.97 55.38 2k8q s GLU 32 Cb -0.61 0.00 -0.06 0.00 0.10 0.00 0.00 34.13 33.56 2k8q s GLU 32 CO 0.48 -0.40 1.13 0.42 0.02 0.00 0.00 175.26 176.91 2k8q s ILE 33 N 1.32 4.15 0.17 -1.63 1.01 -1.26 -4.51 121.20 120.44 2k8q s ILE 33 Ca 0.21 1.62 0.08 0.00 0.00 0.00 0.00 60.65 62.56 2k8q s ILE 33 Cb 0.08 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2k8q s ILE 33 CO -0.11 0.17 -0.17 0.27 0.00 0.00 0.00 174.94 175.09 2k8q s ILE 34 N 0.68 1.76 -0.12 2.92 -5.25 -1.04 -4.89 121.20 115.26 2k8q s ILE 34 Ca 0.55 -1.94 0.02 0.00 -0.99 0.00 0.00 60.65 58.29 2k8q s ILE 34 Cb -0.28 -1.84 -0.01 0.00 2.95 0.00 0.00 42.46 43.28 2k8q s ILE 34 CO 0.31 -0.36 -0.19 -0.63 -1.79 0.00 0.00 174.94 172.27 2k8q s ILE 35 N -2.19 2.51 0.00 8.37 1.09 -1.26 -0.59 121.20 129.13 2k8q s ILE 35 Ca 0.16 -0.85 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 2k8q s ILE 35 Cb -0.05 -2.01 0.00 0.00 -1.06 0.00 0.00 42.46 39.34 2k8q s ILE 35 CO 0.06 0.54 0.00 1.67 -0.10 0.00 0.00 174.94 177.11 2k8q n GLN 36 N 3.60 -0.54 -0.26 2.79 0.00 0.91 -4.52 117.38 119.36 2k8q n GLN 36 Ca -0.19 0.00 0.18 0.00 -0.00 0.00 0.00 57.00 57.00 2k8q n GLN 36 Cb 0.53 0.00 0.49 0.00 0.00 0.00 0.00 30.24 31.25 2k8q n GLN 36 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 2k8q h GLU 37 N 0.00 0.44 0.00 3.69 4.11 -1.99 -3.39 114.58 117.45 2k8q h GLU 37 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2k8q h GLU 37 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2k8q h GLU 37 CO 0.00 0.29 0.00 0.27 0.07 0.00 0.00 179.01 179.64 2k8q n ASN 38 N -4.54 0.00 -4.69 3.06 6.94 -1.26 -4.20 115.26 110.57 2k8q n ASN 38 Ca 0.20 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.47 2k8q n ASN 38 Cb 0.68 0.04 0.15 0.00 -2.36 0.00 0.00 39.78 38.29 2k8q n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k8q s MET 39 N -1.88 0.80 -0.06 -3.83 0.23 -1.26 -2.53 119.30 110.78 2k8q s MET 39 Ca 0.00 0.30 0.04 0.00 -1.03 0.00 0.00 55.69 55.00 2k8q s MET 39 Cb 0.00 -1.80 -0.02 0.00 -1.53 0.00 0.00 34.83 31.48 2k8q s MET 39 CO 0.00 -2.43 -0.18 0.42 -2.03 0.00 0.00 175.02 170.80 2k8q s ILE 40 N -3.21 2.69 -0.23 3.16 1.01 -0.35 -0.06 121.20 124.22 2k8q s ILE 40 Ca 0.65 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 2k8q s ILE 40 Cb -0.15 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 2k8q s ILE 40 CO 0.54 0.57 0.00 -0.63 0.00 0.00 0.00 174.94 175.43 2k8q s ILE 41 N -0.39 3.77 -0.48 2.92 -1.09 0.25 -1.62 121.20 124.55 2k8q s ILE 41 Ca 0.04 -0.36 -0.17 0.00 -2.23 0.00 0.00 60.65 57.93 2k8q s ILE 41 Cb -0.12 -2.74 0.06 0.00 -1.58 0.00 0.00 42.46 38.08 2k8q s ILE 41 CO 0.02 0.39 0.51 0.12 -1.23 0.00 0.00 174.94 174.75 2k8q s PHE 42 N 1.52 3.14 -0.10 3.97 5.36 0.94 -2.51 117.98 130.31 2k8q s PHE 42 Ca 0.06 -0.69 0.17 0.00 -0.96 0.00 0.00 56.93 55.51 2k8q s PHE 42 Cb -0.15 -3.31 -0.25 0.00 -0.34 0.00 0.00 43.02 38.97 2k8q s PHE 42 CO -0.00 -0.90 0.41 1.58 -1.46 0.00 0.00 175.22 174.85 2k8q n HIS 43 N 5.70 0.00 -1.33 10.12 -0.00 -1.26 -1.41 115.22 127.04 2k8q n HIS 43 Ca -0.09 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.73 2k8q n HIS 43 Cb 0.45 -0.35 0.08 0.00 -0.12 0.00 0.00 29.99 30.05 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 -2.01 2.59 -1.20 0.27 0.00 -1.26 -4.73 117.00 110.64 2k8q n LEU 44 Ca -0.02 0.65 0.15 0.00 0.00 0.00 0.00 56.01 56.78 2k8q n LEU 44 Cb 0.42 -1.34 -0.06 0.00 0.00 0.00 0.00 43.42 42.44 2k8q n LEU 44 CO 0.35 -2.40 -0.43 -1.20 0.00 0.00 0.00 177.39 173.71 2k8q n SER 45 N -1.17 -7.02 0.00 1.96 7.64 -1.26 -4.19 113.62 109.58 2k8q n SER 45 Ca 0.12 0.98 0.07 0.00 1.01 0.00 0.00 58.87 61.05 2k8q n SER 45 Cb 0.49 -3.98 0.38 0.00 -1.01 0.00 0.00 64.21 60.10 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 -4.00 0.24 -4.32 1.43 -0.04 -1.26 -4.63 135.00 122.42 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 0.57 -1.50 -0.12 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 -2.51 3.04 -0.12 0.54 2.02 -1.26 -5.10 117.35 113.96 2k8q s TYR 47 Ca 0.15 -0.30 -0.15 0.00 -0.37 0.00 0.00 57.07 56.41 2k8q s TYR 47 Cb 0.10 -1.99 -0.05 0.00 -0.40 0.00 0.00 41.96 39.63 2k8q s TYR 47 CO 0.22 -0.05 0.35 -0.47 -1.57 0.00 0.00 175.55 174.02 2k8q s TYR 48 N 0.47 3.53 0.02 2.71 6.14 -1.26 -4.64 117.35 124.32 2k8q s TYR 48 Ca -0.03 0.73 0.05 0.00 0.64 0.00 0.00 57.07 58.46 2k8q s TYR 48 Cb -0.14 -2.36 -0.02 0.00 0.42 0.00 0.00 41.96 39.87 2k8q s TYR 48 CO 0.03 0.33 -0.15 -1.17 0.64 0.00 0.00 175.55 175.23 2k8q s LEU 49 N 0.12 2.11 -0.17 6.97 0.20 -0.50 -4.42 118.68 123.00 2k8q s LEU 49 Ca 0.20 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.64 2k8q s LEU 49 Cb -0.14 -0.68 0.04 0.00 -0.43 0.00 0.00 46.19 44.98 2k8q s LEU 49 CO 0.07 0.10 -0.10 -0.60 -0.29 0.00 0.00 176.35 175.53 2k8q s ARG 50 N -0.82 1.95 -0.12 1.98 3.52 -1.26 -0.04 118.95 124.16 2k8q s ARG 50 Ca 0.04 -0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 54.96 2k8q s ARG 50 Cb -0.07 -2.18 -0.03 0.00 -1.56 0.00 0.00 34.95 31.11 2k8q s ARG 50 CO 0.01 -0.36 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.59 2k8q s LEU 51 N 1.49 3.32 -0.27 -0.88 1.43 -0.64 -4.24 118.68 118.90 2k8q s LEU 51 Ca 0.01 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2k8q s LEU 51 Cb -0.15 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.37 2k8q s LEU 51 CO -0.09 0.26 -0.01 -0.60 0.23 0.00 0.00 176.35 176.14 2k8q s ARG 52 N -0.19 1.47 0.27 1.70 3.52 -1.20 -1.21 118.95 123.31 2k8q s ARG 52 Ca 0.04 -1.18 -0.00 0.00 -0.13 0.00 0.00 55.73 54.46 2k8q s ARG 52 Cb -0.13 -2.62 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 2k8q s ARG 52 CO 0.02 -0.72 0.47 -0.06 -0.81 0.00 0.00 175.30 174.20 2k8q s PHE 53 N 1.33 3.49 -1.29 5.12 0.08 -1.26 -4.57 117.98 120.88 2k8q s PHE 53 Ca -0.00 0.36 0.15 0.00 0.12 0.00 0.00 56.93 57.55 2k8q s PHE 53 Cb -0.19 -1.88 0.70 0.00 -0.57 0.00 0.00 43.02 41.08 2k8q s PHE 53 CO -0.09 0.26 1.42 -0.35 -0.10 0.00 0.00 175.22 176.36 2k8q n PRO 54 N -1.17 0.14 -2.09 0.24 -0.04 -1.26 -4.76 135.00 126.06 2k8q n PRO 54 Ca -0.05 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 2k8q n PRO 54 Cb 0.55 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2k8q n PRO 54 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2k8q n HIS 55 N -1.36 -0.88 -4.20 0.54 8.25 -1.26 -5.14 115.22 111.17 2k8q n HIS 55 Ca 0.06 -0.44 -0.29 0.00 -0.26 0.00 0.00 57.72 56.79 2k8q n HIS 55 Cb 0.13 -0.08 -0.17 0.00 1.12 0.00 0.00 29.99 31.00 2k8q n HIS 55 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2k8q s GLU 56 N -2.39 2.14 0.57 -0.41 1.03 -1.26 -4.61 118.70 113.77 2k8q s GLU 56 Ca 0.04 -0.51 0.08 0.00 0.03 0.00 0.00 54.97 54.61 2k8q s GLU 56 Cb -0.00 -1.93 0.08 0.00 -0.80 0.00 0.00 34.13 31.48 2k8q s GLU 56 CO 0.03 -0.16 0.69 -0.51 -1.33 0.00 0.00 175.26 173.97 2k8q s LEU 57 N 1.29 2.95 0.01 1.83 1.43 -1.05 -3.83 118.68 121.30 2k8q s LEU 57 Ca -0.00 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 2k8q s LEU 57 Cb -0.14 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 2k8q s LEU 57 CO -0.06 -1.31 -0.02 -0.51 0.23 0.00 0.00 176.35 174.68 2k8q s ILE 58 N -2.72 0.11 -0.48 -0.59 2.07 -0.55 -4.32 121.20 114.72 2k8q s ILE 58 Ca 0.54 -0.31 -0.13 0.00 -1.41 0.00 0.00 60.65 59.34 2k8q s ILE 58 Cb -0.05 -0.15 0.10 0.00 0.13 0.00 0.00 42.46 42.50 2k8q s ILE 58 CO 0.34 -0.13 0.38 -0.62 -1.91 0.00 0.00 174.94 173.00 2k8q s ASP 59 N -0.46 5.93 0.00 4.50 2.15 -1.26 -3.71 116.67 123.82 2k8q s ASP 59 Ca -0.04 -1.62 0.00 0.00 0.43 0.00 0.00 52.55 51.32 2k8q s ASP 59 Cb -0.03 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2k8q s ASP 59 CO -0.00 -0.68 0.00 -0.67 -0.17 0.00 0.00 175.17 173.64 2k8q n ASP 60 N 5.08 1.10 0.21 -0.34 2.03 -1.26 -4.98 116.55 118.38 2k8q n ASP 60 Ca -0.11 -0.76 0.06 0.00 0.52 0.00 0.00 54.79 54.50 2k8q n ASP 60 Cb 0.42 0.00 0.45 0.00 -0.72 0.00 0.00 41.12 41.27 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 -0.03 -0.67 -0.00 -2.04 -2.50 114.58 109.34 2k8q h GLU 61 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.30 2k8q h GLU 61 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 2k8q h GLU 61 CO 0.00 0.29 -0.27 0.07 -0.00 0.00 0.00 179.01 179.10 2k8q h ARG 62 N 0.00 0.05 -6.39 1.06 -0.00 -1.99 -3.44 114.38 103.68 2k8q h ARG 62 Ca -0.00 -0.02 -0.63 0.00 -0.00 0.00 0.00 59.98 59.33 2k8q h ARG 62 Cb 0.58 -0.01 0.06 0.00 -0.00 0.00 0.00 29.97 30.61 2k8q h ARG 62 CO 0.04 0.32 0.53 -1.13 -0.00 0.00 0.00 179.97 179.74 2k8q n SER 63 N -4.20 2.14 -3.59 0.08 3.41 -0.94 -4.93 113.62 105.58 2k8q n SER 63 Ca -0.02 1.12 0.02 0.00 -0.26 0.00 0.00 58.87 59.72 2k8q n SER 63 Cb 0.33 -1.29 -0.01 0.00 -0.26 0.00 0.00 64.21 62.98 2k8q n SER 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2k8q s THR 64 N 0.40 0.00 0.01 6.66 -1.32 -1.22 -4.97 115.64 115.20 2k8q s THR 64 Ca 0.79 -0.04 0.01 0.00 -1.21 0.00 0.00 61.69 61.24 2k8q s THR 64 Cb -0.82 -1.68 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 2k8q s THR 64 CO 0.46 0.00 -0.05 0.00 -2.21 0.00 0.00 174.62 172.82 2k8q s ALA 65 N -2.10 0.37 -0.07 11.08 0.00 -1.26 -1.43 121.76 128.35 2k8q s ALA 65 Ca 0.14 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.79 2k8q s ALA 65 Cb 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 2k8q s ALA 65 CO -0.05 0.04 -0.22 -0.65 0.00 0.00 0.00 175.76 174.88 2k8q s GLN 66 N -0.57 2.50 -0.11 0.00 -0.21 0.56 -4.96 119.66 116.87 2k8q s GLN 66 Ca -0.03 -0.79 -0.23 0.00 0.02 0.00 0.00 55.36 54.33 2k8q s GLN 66 Cb -0.04 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.92 2k8q s GLN 66 CO -0.00 0.25 0.71 -0.47 -2.12 0.00 0.00 175.29 173.65 2k8q s TYR 67 N 0.15 3.51 -0.21 0.91 5.04 -1.26 -1.08 117.35 124.39 2k8q s TYR 67 Ca -0.10 1.18 -0.06 0.00 -2.44 0.00 0.00 57.07 55.64 2k8q s TYR 67 Cb -0.15 -2.84 -0.03 0.00 0.35 0.00 0.00 41.96 39.29 2k8q s TYR 67 CO 0.05 -0.03 0.04 -0.51 -1.34 0.00 0.00 175.55 173.77 2k8q s ASP 68 N 0.94 5.14 -0.03 4.32 1.11 0.34 -4.98 116.67 123.52 2k8q s ASP 68 Ca 0.36 -0.13 0.03 0.00 0.18 0.00 0.00 52.55 52.99 2k8q s ASP 68 Cb -0.17 -1.90 -0.25 0.00 1.07 0.00 0.00 42.92 41.67 2k8q s ASP 68 CO 0.15 0.05 0.73 0.77 1.18 0.00 0.00 175.17 178.05 2k8q h SER 69 N 7.57 0.20 -0.84 0.27 4.64 -1.93 0.12 113.55 123.58 2k8q h SER 69 Ca -0.37 -0.36 0.24 0.00 -0.47 0.00 0.00 61.79 60.84 2k8q h SER 69 Cb 1.18 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 2k8q h SER 69 CO 0.62 1.31 0.60 0.07 -0.87 0.00 0.00 176.83 178.55 2k8q h LYS 70 N 0.04 0.05 0.00 4.77 5.09 -1.95 -2.03 116.57 122.53 2k8q h LYS 70 Ca -0.27 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.47 2k8q h LYS 70 Cb 2.00 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.31 2k8q h LYS 70 CO 0.11 0.03 0.00 -3.47 -2.09 0.00 0.00 179.45 174.03 2k8q n ASP 71 N -4.32 0.78 -2.56 7.07 2.03 -1.25 -5.00 116.55 113.31 2k8q n ASP 71 Ca 0.17 -1.25 -0.14 0.00 0.52 0.00 0.00 54.79 54.10 2k8q n ASP 71 Cb 0.88 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.27 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 -0.12 -2.43 -4.24 -0.67 1.02 0.29 -4.87 120.64 109.62 2k8q n GLU 72 Ca 0.00 0.60 -0.25 0.00 -0.02 0.00 0.00 57.16 57.49 2k8q n GLU 72 Cb 0.23 -5.22 -0.08 0.00 -0.02 0.00 0.00 31.44 26.36 2k8q n GLU 72 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k8q s ILE 74 N -1.92 4.38 -0.22 0.00 -1.09 -0.08 -0.50 121.20 121.77 2k8q s ILE 74 Ca 0.29 -0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.46 2k8q s ILE 74 Cb -0.08 -2.92 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 2k8q s ILE 74 CO 0.19 0.52 0.00 0.20 -1.23 0.00 0.00 174.94 174.62 2k8q s ASN 75 N -0.08 4.72 -0.11 3.58 0.01 -0.24 -0.79 114.94 122.02 2k8q s ASN 75 Ca 0.04 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 51.95 2k8q s ASN 75 Cb -0.13 -1.82 -0.00 0.00 0.41 0.00 0.00 41.25 39.71 2k8q s ASN 75 CO 0.02 0.01 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.72 2k8q s VAL 76 N 1.32 2.38 -0.07 1.60 1.01 0.90 -0.32 120.40 127.21 2k8q s VAL 76 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2k8q s VAL 76 Cb -0.15 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2k8q s VAL 76 CO 0.01 0.55 -0.08 -1.59 0.00 0.00 0.00 175.10 173.99 2k8q s LYS 77 N 0.37 2.79 -0.03 2.72 0.00 -0.52 -0.43 119.74 124.63 2k8q s LYS 77 Ca -0.16 -0.57 -0.01 0.00 0.00 0.00 0.00 55.97 55.24 2k8q s LYS 77 Cb -0.17 -2.58 0.03 0.00 0.00 0.00 0.00 37.83 35.10 2k8q s LYS 77 CO 0.07 0.62 0.02 0.08 0.00 0.00 0.00 175.35 176.15 2k8q s VAL 78 N -0.70 0.06 0.13 1.79 1.01 -0.75 -3.46 120.40 118.49 2k8q s VAL 78 Ca 0.11 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 2k8q s VAL 78 Cb -0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 35.98 2k8q s VAL 78 CO 0.02 0.15 1.07 0.00 0.00 0.00 0.00 175.10 176.34 2k8q s ALA 79 N 1.46 3.32 0.51 5.51 0.00 -1.24 -0.55 121.76 130.77 2k8q s ALA 79 Ca -0.04 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2k8q s ALA 79 Cb -0.13 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.66 2k8q s ALA 79 CO -0.03 -0.19 0.74 0.15 0.00 0.00 0.00 175.76 176.43 2k8q s LYS 80 N 0.02 2.79 0.14 0.00 1.02 -1.26 -1.49 119.74 120.96 2k8q s LYS 80 Ca 0.50 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.90 2k8q s LYS 80 Cb -0.27 -2.50 -0.07 0.00 -0.52 0.00 0.00 37.83 34.46 2k8q s LYS 80 CO 0.32 -0.53 1.33 -0.07 -0.92 0.00 0.00 175.35 175.48 2k8q h LEU 81 N 0.19 0.29 -7.88 3.17 3.38 -1.89 -3.44 115.31 109.13 2k8q h LEU 81 Ca -0.44 -0.25 -0.52 0.00 0.09 0.00 0.00 57.88 56.76 2k8q h LEU 81 Cb 1.28 -0.09 -0.35 0.00 0.09 0.00 0.00 40.66 41.59 2k8q h LEU 81 CO 0.55 1.08 -0.81 0.20 0.09 0.00 0.00 178.44 179.55 2k8q s ASN 82 N -6.96 1.93 0.96 -0.43 0.01 -1.26 -5.13 114.94 104.06 2k8q s ASN 82 Ca -0.03 -0.30 -0.11 0.00 -0.71 0.00 0.00 52.86 51.70 2k8q s ASN 82 Cb 0.10 -0.83 0.17 0.00 0.41 0.00 0.00 41.25 41.09 2k8q s ASN 82 CO 0.84 -0.02 1.09 -0.75 -1.51 0.00 0.00 177.10 176.74 2k8q s LYS 83 N 1.06 0.68 -2.17 -0.60 2.20 -1.26 -3.14 119.74 116.50 2k8q s LYS 83 Ca -0.07 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 2k8q s LYS 83 Cb -0.15 -1.73 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 2k8q s LYS 83 CO -0.01 -2.70 0.00 0.09 -0.36 0.00 0.00 175.35 172.37 2k8q n ASN 84 N -4.23 -5.48 -4.82 1.43 5.03 -1.25 -4.95 115.26 101.00 2k8q n ASN 84 Ca 0.07 0.48 -0.36 0.00 0.87 0.00 0.00 54.58 55.64 2k8q n ASN 84 Cb 0.54 -4.82 -0.06 0.00 -1.02 0.00 0.00 39.78 34.42 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 -3.84 4.19 0.43 3.52 2.12 -1.19 -5.01 118.70 118.93 2k8q s GLU 85 Ca 0.00 0.80 0.04 0.00 0.36 0.00 0.00 54.97 56.17 2k8q s GLU 85 Cb 0.00 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.49 2k8q s GLU 85 CO 0.00 0.39 0.03 1.52 -0.54 0.00 0.00 175.26 176.66 2k8q s TYR 86 N -1.55 2.12 0.23 5.30 1.13 -1.26 -4.63 117.35 118.69 2k8q s TYR 86 Ca 0.43 -0.89 0.01 0.00 -1.41 0.00 0.00 57.07 55.21 2k8q s TYR 86 Cb -0.16 -1.57 -0.05 0.00 -1.10 0.00 0.00 41.96 39.08 2k8q s TYR 86 CO 0.20 0.22 0.09 -0.06 -2.51 0.00 0.00 175.55 173.50 2k8q s PHE 87 N -2.92 1.36 0.00 -3.49 0.40 -1.26 -5.01 117.98 107.07 2k8q s PHE 87 Ca 0.24 -1.22 0.00 0.00 -0.60 0.00 0.00 56.93 55.34 2k8q s PHE 87 Cb 0.06 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.83 2k8q s PHE 87 CO 0.12 -0.42 0.00 -1.91 0.70 0.00 0.00 175.22 173.71 2k8q n GLU 88 N -0.37 0.00 0.31 0.44 0.00 -1.26 -4.77 120.64 115.00 2k8q n GLU 88 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 57.16 57.35 2k8q n GLU 88 Cb 0.66 -0.60 1.02 0.00 0.00 0.00 0.00 31.44 32.51 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2k8q h ASP 89 N 0.00 0.00 0.26 4.31 5.19 -1.96 -1.43 116.42 122.79 2k8q h ASP 89 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k8q h ASP 89 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2k8q h ASP 89 CO 0.00 0.02 0.00 -0.07 -3.12 0.00 0.00 179.24 176.07 2k8q h LEU 90 N 0.00 0.00 -1.46 1.55 3.38 -1.93 -0.26 115.31 116.59 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 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2k8q h LEU 90 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 2k8q n ASP 91 N -2.36 2.13 -3.55 -0.43 8.00 -0.54 -4.48 116.55 115.32 2k8q n ASP 91 Ca -0.00 -2.04 -0.27 0.00 0.71 0.00 0.00 54.79 53.18 2k8q n ASP 91 Cb 0.11 -0.28 -0.15 0.00 -0.02 0.00 0.00 41.12 40.77 2k8q n ASP 91 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k8q s LEU 92 N -1.04 0.39 0.00 0.64 1.43 -0.11 -4.99 118.68 115.00 2k8q s LEU 92 Ca 0.25 -0.96 0.15 0.00 -1.03 0.00 0.00 54.13 52.54 2k8q s LEU 92 Cb 0.14 -0.22 0.73 0.00 0.03 0.00 0.00 46.19 46.87 2k8q s LEU 92 CO 0.16 -0.40 1.41 -0.81 0.23 0.00 0.00 176.35 176.95 2k8q n PRO 93 N 5.27 0.18 0.00 1.29 -0.04 -1.26 -1.92 135.00 138.52 2k8q n PRO 93 Ca -0.06 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2k8q n PRO 93 Cb 0.45 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.31 0.00 -0.07 0.52 -2.24 -1.26 -3.89 114.28 106.03 2k8q n THR 94 Ca 0.07 -0.06 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 2k8q n THR 94 Cb 0.12 0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 69.13 2k8q n THR 94 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2k8q n LYS 95 N -1.15 0.69 -0.08 -0.78 4.01 -0.81 -4.17 118.16 115.88 2k8q n LYS 95 Ca 0.06 0.17 -0.12 0.00 -0.51 0.00 0.00 58.31 57.91 2k8q n LYS 95 Cb 0.36 -1.61 -0.05 0.00 -0.51 0.00 0.00 35.03 33.22 2k8q n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2k8q h LEU 96 N 0.02 0.48 -2.15 -0.35 3.38 -1.73 -2.85 115.31 112.11 2k8q h LEU 96 Ca -0.49 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.13 2k8q h LEU 96 Cb 2.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 2k8q h LEU 96 CO 0.00 0.79 0.26 -0.07 0.09 0.00 0.00 178.44 179.51 2k8q h LEU 97 N 0.17 0.00 -9.16 1.67 3.38 -1.74 -3.18 115.31 106.45 2k8q h LEU 97 Ca 0.05 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.42 2k8q h LEU 97 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2k8q h LEU 97 CO 0.03 0.00 1.25 0.00 0.09 0.00 0.00 178.44 179.81 2k8q n ALA 98 N -2.36 1.26 0.38 1.53 0.00 -1.08 -4.82 120.51 115.42 2k8q n ALA 98 Ca 0.03 0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.64 2k8q n ALA 98 Cb 0.40 -2.64 -0.02 0.00 0.00 0.00 0.00 19.45 17.19 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 7.47 3.19 -1.63 0.00 0.00 -1.26 -4.73 116.66 119.70 2k8q n ARG 99 Ca 0.25 -0.29 -0.49 0.00 -0.00 0.00 0.00 57.85 57.32 2k8q n ARG 99 Cb 0.35 -0.96 -0.05 0.00 -0.00 0.00 0.00 32.46 31.79 2k8q n ARG 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k8q n GLN 100 N -0.71 1.61 0.00 2.89 10.64 -1.26 -4.92 117.38 125.62 2k8q n GLN 100 Ca 0.03 0.58 0.00 0.00 -1.83 0.00 0.00 57.00 55.78 2k8q n GLN 100 Cb 0.15 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.26 2k8q n GLN 100 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k8q n GLY 101 N 2.92 4.17 2.60 2.61 0.00 -1.26 -5.13 105.19 111.10 2k8q n GLY 101 Ca 0.18 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 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 1.57 2.77 -1.67 1.61 1.01 -1.26 -4.84 116.67 115.86 2k8q s ASP 102 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.36 2k8q s ASP 102 Cb 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 42.92 43.73 2k8q s ASP 102 CO 0.00 -0.39 0.00 0.18 0.21 0.00 0.00 175.17 175.17 2k8q n LEU 103 N 5.27 -1.37 -4.68 1.23 4.77 -1.26 -4.87 117.00 116.10 2k8q n LEU 103 Ca -0.06 0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 2k8q n LEU 103 Cb 0.46 -2.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.03 2k8q n LEU 103 CO 0.07 -0.61 1.54 0.00 -1.33 0.00 0.00 177.39 177.05 2k8q n ALA 104 N -0.25 1.88 -2.85 -1.18 0.00 -1.26 -4.98 120.51 111.87 2k8q n ALA 104 Ca -0.18 0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 2k8q n ALA 104 Cb 0.59 -2.63 -0.05 0.00 0.00 0.00 0.00 19.45 17.36 2k8q n ALA 104 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k8q s GLY 105 N 3.57 1.95 -0.29 0.00 0.00 -1.26 -5.10 107.32 106.20 2k8q s GLY 105 Ca 0.86 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 44.58 2k8q s GLY 105 CO 0.40 -1.00 0.03 0.00 0.00 0.00 0.00 173.10 172.53 2k8q s ALA 106 N -1.56 2.08 -0.02 3.20 0.00 -1.26 -5.10 121.76 119.09 2k8q s ALA 106 Ca 0.32 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.52 2k8q s ALA 106 Cb -0.12 -1.65 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 2k8q s ALA 106 CO 0.25 -1.49 -0.11 0.34 0.00 0.00 0.00 175.76 174.75 2k8q s ASP 107 N 1.33 1.33 -0.01 0.00 2.15 -1.26 -5.15 116.67 115.07 2k8q s ASP 107 Ca 0.04 -0.21 -0.06 0.00 0.43 0.00 0.00 52.55 52.76 2k8q s ASP 107 Cb -0.18 -0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.22 2k8q s ASP 107 CO -0.13 0.12 0.11 0.00 -0.17 0.00 0.00 175.17 175.10 2k8q s ALA 108 N -0.12 -0.26 0.12 3.66 0.00 -1.26 -5.09 121.76 118.81 2k8q s ALA 108 Ca 0.02 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 51.96 2k8q s ALA 108 Cb -0.06 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2k8q s ALA 108 CO -0.00 -0.17 -0.18 -0.48 0.00 0.00 0.00 175.76 174.93 2k8q s LEU 109 N -1.09 2.35 -0.26 0.00 0.05 -1.26 -5.13 118.68 113.34 2k8q s LEU 109 Ca -0.12 -0.75 -0.03 0.00 0.05 0.00 0.00 54.13 53.28 2k8q s LEU 109 Cb -0.07 -0.75 0.15 0.00 -2.05 0.00 0.00 46.19 43.47 2k8q s LEU 109 CO 0.01 -0.02 0.49 0.28 -0.55 0.00 0.00 176.35 176.55 2k8q s THR 110 N -1.60 -0.79 0.08 5.48 -1.32 -1.26 -5.16 115.64 111.07 2k8q s THR 110 Ca 0.08 -0.01 -0.00 0.00 -1.21 0.00 0.00 61.69 60.55 2k8q s THR 110 Cb -0.08 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 2k8q s THR 110 CO 0.04 -0.04 -0.03 -1.61 -2.21 0.00 0.00 174.62 170.77 2k8q s GLU 111 N 2.70 0.73 0.19 7.08 2.02 -1.26 -5.17 118.70 124.99 2k8q s GLU 111 Ca 0.12 -1.29 -0.14 0.00 0.02 0.00 0.00 54.97 53.68 2k8q s GLU 111 Cb -0.15 0.07 0.01 0.00 0.10 0.00 0.00 34.13 34.17 2k8q s GLU 111 CO -0.18 -0.10 0.44 -0.80 0.02 0.00 0.00 175.26 174.65 2k8q s ASN 112 N -2.98 -0.14 0.06 -0.19 0.01 -1.26 -5.18 114.94 105.26 2k8q s ASN 112 Ca 0.11 -0.67 -0.05 0.00 -0.71 0.00 0.00 52.86 51.53 2k8q s ASN 112 Cb 0.07 0.53 -0.02 0.00 0.41 0.00 0.00 41.25 42.25 2k8q s ASN 112 CO -0.07 -1.02 0.10 0.42 -1.51 0.00 0.00 177.10 175.02 2k8q s THR 113 N -3.92 0.17 0.42 1.60 -4.23 -1.26 -5.18 115.64 103.24 2k8q s THR 113 Ca 0.13 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.34 2k8q s THR 113 Cb 0.00 -1.29 -0.07 0.00 1.34 0.00 0.00 72.50 72.48 2k8q s THR 113 CO -0.00 -0.75 0.01 -1.81 -0.54 0.00 0.00 174.62 171.53 2k8q s ASP 114 N -2.71 3.82 -0.01 3.99 1.11 -1.26 -5.15 116.67 116.46 2k8q s ASP 114 Ca 0.03 -1.42 0.05 0.00 0.18 0.00 0.00 52.55 51.40 2k8q s ASP 114 Cb 0.04 -0.22 -0.01 0.00 1.07 0.00 0.00 42.92 43.80 2k8q s ASP 114 CO -0.09 -0.53 -0.18 0.00 1.18 0.00 0.00 175.17 175.55 2k8q s ALA 115 N -2.78 1.47 -0.31 5.23 0.00 -1.26 -5.11 121.76 119.00 2k8q s ALA 115 Ca 0.30 -0.76 -0.25 0.00 0.00 0.00 0.00 51.96 51.25 2k8q s ALA 115 Cb 0.08 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2k8q s ALA 115 CO 0.15 0.36 0.87 0.15 0.00 0.00 0.00 175.76 177.30 2k8q s LYS 116 N -0.42 3.99 0.23 0.00 -0.14 -1.26 -5.04 119.74 117.11 2k8q s LYS 116 Ca 0.07 0.74 0.10 0.00 -1.36 0.00 0.00 55.97 55.51 2k8q s LYS 116 Cb -0.07 -3.73 -0.05 0.00 -1.68 0.00 0.00 37.83 32.30 2k8q s LYS 116 CO -0.01 -0.74 -0.18 0.15 -0.76 0.00 0.00 175.35 173.81 2k8q s LYS 117 N 3.16 1.49 -0.02 1.68 1.02 -1.26 -5.15 119.74 120.66 2k8q s LYS 117 Ca 0.36 -1.64 0.04 0.00 0.02 0.00 0.00 55.97 54.75 2k8q s LYS 117 Cb -0.14 -1.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 2k8q s LYS 117 CO 0.13 0.28 -0.12 -0.08 -0.92 0.00 0.00 175.35 174.64 2k8q s THR 118 N -2.52 3.25 -0.28 2.17 -1.32 -1.26 -5.10 115.64 110.59 2k8q s THR 118 Ca 0.25 -0.80 -0.01 0.00 -1.21 0.00 0.00 61.69 59.92 2k8q s THR 118 Cb -0.04 -2.34 0.17 0.00 -1.51 0.00 0.00 72.50 68.78 2k8q s THR 118 CO 0.11 0.49 0.50 -1.58 -2.21 0.00 0.00 174.62 171.93 2k8q s GLN 119 N -1.07 0.48 -0.47 7.08 0.74 -1.26 -5.07 119.66 120.09 2k8q s GLN 119 Ca 0.14 0.77 0.07 0.00 0.05 0.00 0.00 55.36 56.39 2k8q s GLN 119 Cb -0.11 0.10 0.26 0.00 1.10 0.00 0.00 33.01 34.36 2k8q s GLN 119 CO 0.04 -0.66 0.86 0.36 -0.55 0.00 0.00 175.29 175.33 2k8q n LYS 120 N 5.40 0.81 -1.19 1.67 2.85 -1.26 -5.15 118.16 121.29 2k8q n LYS 120 Ca -0.02 -2.05 -0.29 0.00 -1.05 0.00 0.00 58.31 54.90 2k8q n LYS 120 Cb 0.51 -1.38 0.15 0.00 -0.65 0.00 0.00 35.03 33.66 2k8q n LYS 120 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2k8q s PRO 121 N 0.24 0.93 -0.40 -1.58 0.04 -1.26 -5.02 135.00 127.95 2k8q s PRO 121 Ca 0.31 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 61.97 2k8q s PRO 121 Cb 0.23 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 33.06 2k8q s PRO 121 CO -0.20 -2.44 0.24 -0.51 0.04 0.00 0.00 177.00 174.13 2k8q s LEU 122 N -6.31 5.01 -0.21 -3.56 2.01 -1.26 -5.07 118.68 109.29 2k8q s LEU 122 Ca 0.64 -1.40 -0.05 0.00 0.01 0.00 0.00 54.13 53.33 2k8q s LEU 122 Cb -0.18 -1.98 -0.02 0.00 0.01 0.00 0.00 46.19 44.02 2k8q s LEU 122 CO 0.57 -0.49 0.01 -0.63 1.01 0.00 0.00 176.35 176.82 2k8q s ILE 123 N 1.44 4.00 0.23 -0.59 1.01 -1.26 -5.09 121.20 120.93 2k8q s ILE 123 Ca 0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 2k8q s ILE 123 Cb -0.22 -2.82 -0.09 0.00 0.01 0.00 0.00 42.46 39.34 2k8q s ILE 123 CO 0.03 0.41 1.16 -1.58 0.00 0.00 0.00 174.94 174.97 2k8q s GLN 124 N 1.10 4.54 -0.45 2.79 2.00 -1.26 -5.00 119.66 123.39 2k8q s GLN 124 Ca 0.03 1.86 -0.18 0.00 -2.00 0.00 0.00 55.36 55.07 2k8q s GLN 124 Cb -0.14 -3.21 0.03 0.00 0.80 0.00 0.00 33.01 30.49 2k8q s GLN 124 CO 0.02 0.02 0.52 -1.21 -0.50 0.00 0.00 175.29 174.13 2k8q s GLU 125 N -0.76 3.13 -0.01 1.67 2.02 -1.26 -5.04 118.70 118.45 2k8q s GLU 125 Ca 0.49 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.75 2k8q s GLU 125 Cb -0.33 -4.01 -0.01 0.00 0.10 0.00 0.00 34.13 29.89 2k8q s GLU 125 CO 0.39 -0.98 -0.08 0.54 0.02 0.00 0.00 175.26 175.15 2k8q s VAL 126 N 2.34 0.63 0.12 2.63 0.11 -1.26 -5.16 120.40 119.82 2k8q s VAL 126 Ca 0.14 -0.35 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 2k8q s VAL 126 Cb -0.17 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 2k8q s VAL 126 CO 0.14 0.17 0.05 -1.83 -3.33 0.00 0.00 175.10 170.29 2k8q s GLU 127 N -0.21 0.90 0.08 1.54 1.03 -1.26 -5.17 118.70 115.60 2k8q s GLU 127 Ca 0.03 -1.42 0.05 0.00 0.03 0.00 0.00 54.97 53.66 2k8q s GLU 127 Cb -0.03 0.22 -0.03 0.00 -0.80 0.00 0.00 34.13 33.49 2k8q s GLU 127 CO -0.00 -0.24 -0.14 0.99 -1.33 0.00 0.00 175.26 174.53 2k8q s THR 128 N -4.03 1.12 -0.14 1.83 2.01 -1.26 -5.14 115.64 110.04 2k8q s THR 128 Ca 0.23 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 60.83 2k8q s THR 128 Cb 0.07 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 71.52 2k8q s THR 128 CO 0.01 -0.26 0.14 -0.62 -0.69 0.00 0.00 174.62 173.20 2k8q s ASP 129 N -1.84 1.49 0.00 3.53 2.15 -1.26 -5.13 116.67 115.61 2k8q s ASP 129 Ca -0.01 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2k8q s ASP 129 Cb -0.09 0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.60 2k8q s ASP 129 CO 0.02 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 2k8q n GLY 130 N 5.30 5.19 2.92 2.66 0.00 -1.26 -5.18 105.19 114.83 2k8q n GLY 130 Ca -0.05 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 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 1.05 0.05 0.74 1.61 -7.23 -1.26 -5.16 120.40 110.20 2k8q s VAL 131 Ca 0.00 -0.40 -0.12 0.00 -1.81 0.00 0.00 61.98 59.66 2k8q s VAL 131 Cb 0.00 -0.12 0.04 0.00 0.56 0.00 0.00 36.38 36.85 2k8q s VAL 131 CO 0.00 -0.21 1.11 -0.94 -0.31 0.00 0.00 175.10 174.75 2k8q s SER 132 N -0.63 5.12 -0.05 4.85 1.04 -1.26 -5.03 113.70 117.74 2k8q s SER 132 Ca -0.07 1.09 -0.09 0.00 0.48 0.00 0.00 55.95 57.36 2k8q s SER 132 Cb -0.04 -1.82 -0.05 0.00 0.10 0.00 0.00 66.02 64.21 2k8q s SER 132 CO -0.00 -1.54 0.40 -1.13 0.98 0.00 0.00 173.24 171.94 2k8q h ASN 133 N -0.80 -0.27 -0.02 7.02 -1.24 -2.10 -3.58 115.58 114.60 2k8q h ASN 133 Ca -0.45 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.56 2k8q h ASN 133 Cb 1.27 0.07 0.00 0.00 0.73 0.00 0.00 38.32 40.39 2k8q h ASN 133 CO 0.64 0.13 0.00 -0.46 -1.29 0.00 0.00 177.43 176.44