#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 1.52 -2.96 -0.61 2.04 -1.98 -3.46 117.51 112.06 2k8q h ILE 2 Ca 0.00 -2.02 -0.59 0.00 1.00 0.00 0.00 64.86 63.25 2k8q h ILE 2 Cb 0.00 2.81 0.15 0.00 -0.74 0.00 0.00 36.82 39.04 2k8q h ILE 2 CO 0.00 0.49 -0.08 1.07 0.00 0.00 0.00 178.15 179.63 2k8q n THR 3 N -4.67 2.47 0.00 -0.27 5.66 -1.26 -4.98 114.28 111.23 2k8q n THR 3 Ca -0.09 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 2k8q n THR 3 Cb 0.40 -0.92 0.00 0.00 -1.55 0.00 0.00 70.33 68.26 2k8q n THR 3 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2k8q n PRO 4 N 0.02 0.00 -4.20 1.09 -0.04 -1.26 -5.01 135.00 125.59 2k8q n PRO 4 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2k8q n PRO 4 Cb 0.42 -0.58 -0.10 0.00 -0.04 0.00 0.00 33.50 33.20 2k8q n PRO 4 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k8q s ARG 5 N -0.34 0.96 -0.15 0.54 3.00 -1.26 -5.09 118.95 116.62 2k8q s ARG 5 Ca 0.00 -1.43 -0.29 0.00 0.00 0.00 0.00 55.73 54.01 2k8q s ARG 5 Cb 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 34.95 34.82 2k8q s ARG 5 CO 0.00 -0.07 0.87 -0.59 0.00 0.00 0.00 175.30 175.51 2k8q s PHE 6 N -3.64 -0.52 -0.02 -0.53 -0.71 -1.26 -1.60 117.98 109.69 2k8q s PHE 6 Ca 0.18 0.99 0.06 0.00 -1.04 0.00 0.00 56.93 57.11 2k8q s PHE 6 Cb 0.06 0.41 -0.01 0.00 -1.21 0.00 0.00 43.02 42.26 2k8q s PHE 6 CO -0.01 -0.42 -0.19 -1.12 -1.34 0.00 0.00 175.22 172.14 2k8q s SER 7 N -0.83 2.31 -0.02 1.98 0.01 0.57 -4.91 113.70 112.81 2k8q s SER 7 Ca -0.04 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 56.89 2k8q s SER 7 Cb -0.01 -0.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 2k8q s SER 7 CO 0.03 0.23 -0.09 -0.63 0.41 0.00 0.00 173.24 173.20 2k8q s ILE 8 N -0.37 3.51 0.05 1.44 1.01 -1.25 0.35 121.20 125.93 2k8q s ILE 8 Ca 0.05 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 60.02 2k8q s ILE 8 Cb -0.08 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 2k8q s ILE 8 CO -0.00 0.46 -0.17 -0.89 0.00 0.00 0.00 174.94 174.34 2k8q s THR 9 N -0.92 1.32 0.02 2.92 2.01 0.97 -4.79 115.64 117.17 2k8q s THR 9 Ca 0.15 -1.16 0.06 0.00 0.31 0.00 0.00 61.69 61.06 2k8q s THR 9 Cb -0.11 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 2k8q s THR 9 CO 0.05 0.01 -0.16 0.00 -0.69 0.00 0.00 174.62 173.84 2k8q s GLN 10 N -1.32 2.21 0.36 4.92 0.00 -1.26 -0.65 119.66 123.91 2k8q s GLN 10 Ca 0.03 -0.90 0.04 0.00 -0.00 0.00 0.00 55.36 54.52 2k8q s GLN 10 Cb -0.09 -2.26 -0.04 0.00 0.00 0.00 0.00 33.01 30.62 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 -1.35 2.34 -0.03 12.60 1.01 -0.73 -4.94 116.67 125.57 2k8q s ASP 11 Ca 0.15 -1.57 0.10 0.00 0.71 0.00 0.00 52.55 51.94 2k8q s ASP 11 Cb -0.11 0.34 0.35 0.00 1.01 0.00 0.00 42.92 44.51 2k8q s ASP 11 CO 0.05 -0.85 1.23 -1.84 0.21 0.00 0.00 175.17 173.98 2k8q n GLU 12 N -0.77 2.14 0.00 8.23 0.00 -1.26 -4.14 120.64 124.84 2k8q n GLU 12 Ca -0.03 -1.39 0.00 0.00 0.00 0.00 0.00 57.16 55.74 2k8q n GLU 12 Cb 0.65 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.65 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 0.51 0.02 -3.82 3.44 0.28 -1.26 -2.25 120.64 117.56 2k8q n GLU 13 Ca 0.13 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.05 2k8q n GLU 13 Cb 0.42 -0.61 0.02 0.00 1.43 0.00 0.00 31.44 32.69 2k8q n GLU 13 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2k8q s PHE 14 N -1.22 0.07 -0.08 -1.84 -0.71 -1.26 -4.38 117.98 108.55 2k8q s PHE 14 Ca 0.00 -0.70 -0.04 0.00 -1.04 0.00 0.00 56.93 55.15 2k8q s PHE 14 Cb 0.00 0.81 -0.04 0.00 -1.21 0.00 0.00 43.02 42.58 2k8q s PHE 14 CO 0.00 -1.47 0.09 0.42 -1.34 0.00 0.00 175.22 172.93 2k8q s ILE 15 N -2.50 5.02 -0.32 -4.49 -1.09 0.66 -1.77 121.20 116.70 2k8q s ILE 15 Ca 0.15 -0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.56 2k8q s ILE 15 Cb -0.05 -3.20 0.09 0.00 -1.58 0.00 0.00 42.46 37.73 2k8q s ILE 15 CO 0.10 0.55 0.02 0.12 -1.23 0.00 0.00 174.94 174.50 2k8q s PHE 16 N -1.03 3.67 -0.23 3.97 5.36 0.17 -2.27 117.98 127.62 2k8q s PHE 16 Ca 0.17 -2.88 -0.15 0.00 -0.96 0.00 0.00 56.93 53.11 2k8q s PHE 16 Cb -0.12 -2.74 -0.04 0.00 -0.34 0.00 0.00 43.02 39.78 2k8q s PHE 16 CO 0.06 -0.94 0.37 -1.17 -1.46 0.00 0.00 175.22 172.08 2k8q s LEU 17 N 0.94 4.11 -0.10 6.12 2.96 0.29 -0.02 118.68 132.97 2k8q s LEU 17 Ca 0.07 0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2k8q s LEU 17 Cb -0.19 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 2k8q s LEU 17 CO -0.07 -0.11 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.03 2k8q s LYS 18 N 1.59 3.13 -0.06 1.98 2.20 0.16 -0.05 119.74 128.68 2k8q s LYS 18 Ca 0.17 -0.56 0.04 0.00 -0.36 0.00 0.00 55.97 55.26 2k8q s LYS 18 Cb -0.15 -2.70 -0.00 0.00 -1.51 0.00 0.00 37.83 33.47 2k8q s LYS 18 CO 0.08 0.47 -0.19 0.42 -0.36 0.00 0.00 175.35 175.78 2k8q s ILE 19 N -0.28 1.59 -0.27 5.43 1.09 -0.41 -0.31 121.20 128.03 2k8q s ILE 19 Ca 0.04 -0.79 -0.18 0.00 -1.10 0.00 0.00 60.65 58.62 2k8q s ILE 19 Cb -0.13 -1.37 -0.03 0.00 -1.06 0.00 0.00 42.46 39.88 2k8q s ILE 19 CO 0.02 0.45 0.52 -0.36 -0.10 0.00 0.00 174.94 175.48 2k8q s PHE 20 N 0.12 3.26 0.20 3.97 0.08 -0.63 -1.51 117.98 123.47 2k8q s PHE 20 Ca -0.07 0.62 -0.02 0.00 0.12 0.00 0.00 56.93 57.57 2k8q s PHE 20 Cb -0.13 -2.74 0.01 0.00 -0.57 0.00 0.00 43.02 39.58 2k8q s PHE 20 CO 0.04 -0.30 0.30 0.44 -0.10 0.00 0.00 175.22 175.59 2k8q n ILE 21 N 5.18 0.00 -4.72 0.64 -5.35 -1.24 -4.30 119.36 109.56 2k8q n ILE 21 Ca -0.04 -0.89 -0.32 0.00 -0.27 0.00 0.00 62.75 61.23 2k8q n ILE 21 Cb 0.50 0.59 -0.08 0.00 -1.74 0.00 0.00 39.64 38.90 2k8q n ILE 21 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2k8q s SER 22 N -2.18 4.00 -0.17 7.28 0.01 -1.25 -4.42 113.70 116.97 2k8q s SER 22 Ca 0.15 -1.60 0.09 0.00 1.31 0.00 0.00 55.95 55.90 2k8q s SER 22 Cb -0.01 0.33 0.57 0.00 0.21 0.00 0.00 66.02 67.12 2k8q s SER 22 CO 0.10 -0.77 1.39 -0.46 0.41 0.00 0.00 173.24 173.91 2k8q n ASN 23 N -1.20 4.27 -4.53 2.44 0.23 -1.26 -4.80 115.26 110.41 2k8q n ASN 23 Ca -0.16 -2.68 -0.37 0.00 -0.53 0.00 0.00 54.58 50.84 2k8q n ASN 23 Cb 0.67 -0.64 -0.07 0.00 -2.08 0.00 0.00 39.78 37.66 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 0.37 -0.06 -2.73 1.53 -5.35 -1.26 -1.61 119.36 110.25 2k8q n ILE 24 Ca 0.21 -0.53 -0.14 0.00 -0.27 0.00 0.00 62.75 62.02 2k8q n ILE 24 Cb 0.94 -2.00 -0.00 0.00 -1.74 0.00 0.00 39.64 36.83 2k8q n ILE 24 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2k8q n ARG 25 N 8.81 -2.67 -1.60 6.28 3.00 -1.26 -4.79 116.66 124.43 2k8q n ARG 25 Ca 0.47 0.47 -0.40 0.00 -0.01 0.00 0.00 57.85 58.38 2k8q n ARG 25 Cb 0.37 -5.09 -0.03 0.00 0.00 0.00 0.00 32.46 27.71 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 -2.62 1.14 0.30 -1.55 2.19 -0.63 -4.95 117.98 111.86 2k8q s PHE 26 Ca 0.12 0.95 0.09 0.00 0.33 0.00 0.00 56.93 58.42 2k8q s PHE 26 Cb -0.06 -3.79 -0.04 0.00 -1.31 0.00 0.00 43.02 37.81 2k8q s PHE 26 CO 0.15 -3.45 0.08 -1.12 1.83 0.00 0.00 175.22 172.71 2k8q s SER 27 N 9.82 4.69 -0.25 6.13 0.01 -1.26 -5.02 113.70 127.82 2k8q s SER 27 Ca 0.99 -0.67 0.07 0.00 1.31 0.00 0.00 55.95 57.65 2k8q s SER 27 Cb -0.26 -0.84 0.55 0.00 0.21 0.00 0.00 66.02 65.68 2k8q s SER 27 CO 0.31 -0.14 1.54 0.00 0.41 0.00 0.00 173.24 175.37 2k8q n ALA 28 N -1.04 4.12 -3.60 1.44 0.00 -1.26 -4.68 120.51 115.49 2k8q n ALA 28 Ca -0.05 -1.75 -0.40 0.00 0.00 0.00 0.00 53.44 51.25 2k8q n ALA 28 Cb 0.60 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 2k8q n ALA 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2k8q s VAL 29 N -2.36 4.27 0.00 0.00 -7.23 -1.26 -4.46 120.40 109.36 2k8q s VAL 29 Ca 0.41 -2.80 0.00 0.00 -1.81 0.00 0.00 61.98 57.78 2k8q s VAL 29 Cb 0.33 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.54 2k8q s VAL 29 CO 0.10 -0.92 0.00 0.61 -0.31 0.00 0.00 175.10 174.58 2k8q n GLY 30 N 3.65 1.25 3.57 2.32 0.00 -1.26 -5.07 105.19 109.64 2k8q n GLY 30 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.02 -2.99 0.99 4.77 -1.26 -4.66 117.00 116.86 2k8q n LEU 31 Ca 0.00 0.26 0.01 0.00 -0.03 0.00 0.00 56.01 56.25 2k8q n LEU 31 Cb 0.00 -1.49 -0.00 0.00 -2.33 0.00 0.00 43.42 39.60 2k8q n LEU 31 CO 0.00 -0.68 0.25 -0.70 -1.33 0.00 0.00 177.39 174.93 2k8q s GLU 32 N 6.28 0.56 0.02 3.23 2.12 -1.26 -4.98 118.70 124.67 2k8q s GLU 32 Ca 1.03 -0.22 -0.28 0.00 0.36 0.00 0.00 54.97 55.86 2k8q s GLU 32 Cb -0.46 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 33.95 2k8q s GLU 32 CO 0.39 -0.80 0.87 0.42 -0.54 0.00 0.00 175.26 175.60 2k8q s ILE 33 N 1.81 4.80 0.04 -3.70 1.01 -1.26 -4.42 121.20 119.49 2k8q s ILE 33 Ca 0.16 1.84 0.07 0.00 0.00 0.00 0.00 60.65 62.73 2k8q s ILE 33 Cb -0.00 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 2k8q s ILE 33 CO -0.10 0.25 -0.20 -0.51 0.00 0.00 0.00 174.94 174.38 2k8q s ILE 34 N 0.54 1.59 -0.18 2.92 -1.16 -1.02 -4.98 121.20 118.90 2k8q s ILE 34 Ca 0.45 -1.17 -0.07 0.00 -0.51 0.00 0.00 60.65 59.35 2k8q s ILE 34 Cb -0.21 -1.39 -0.04 0.00 0.61 0.00 0.00 42.46 41.43 2k8q s ILE 34 CO 0.25 0.17 0.06 -0.63 -2.81 0.00 0.00 174.94 171.98 2k8q s ILE 35 N -0.81 4.74 0.00 2.00 1.09 -1.26 -0.77 121.20 126.19 2k8q s ILE 35 Ca 0.07 -0.05 0.00 0.00 -1.10 0.00 0.00 60.65 59.57 2k8q s ILE 35 Cb -0.09 -3.13 0.00 0.00 -1.06 0.00 0.00 42.46 38.18 2k8q s ILE 35 CO 0.02 0.46 0.00 0.00 -0.10 0.00 0.00 174.94 175.32 2k8q n GLN 36 N 3.51 -0.38 -0.21 2.79 1.13 0.82 -4.70 117.38 120.35 2k8q n GLN 36 Ca -0.17 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.01 2k8q n GLN 36 Cb 0.52 0.00 0.42 0.00 0.11 0.00 0.00 30.24 31.29 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 0.58 0.00 -1.09 4.11 -1.99 -3.39 114.58 112.80 2k8q h GLU 37 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2k8q h GLU 37 Cb 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2k8q h GLU 37 CO 0.00 0.39 -0.04 0.27 0.07 0.00 0.00 179.01 179.69 2k8q n ASN 38 N -4.51 0.01 -4.73 3.06 6.94 -1.26 -4.08 115.26 110.68 2k8q n ASN 38 Ca 0.15 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.42 2k8q n ASN 38 Cb 0.43 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 37.98 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 -1.93 1.25 -0.09 -3.83 0.23 -1.26 -2.54 119.30 111.13 2k8q s MET 39 Ca 0.00 0.17 0.03 0.00 -1.03 0.00 0.00 55.69 54.86 2k8q s MET 39 Cb 0.00 -1.86 -0.01 0.00 -1.53 0.00 0.00 34.83 31.42 2k8q s MET 39 CO 0.00 -2.10 -0.18 0.42 -2.03 0.00 0.00 175.02 171.14 2k8q s ILE 40 N -3.40 2.67 -0.26 3.16 1.01 0.14 -0.12 121.20 124.40 2k8q s ILE 40 Ca 0.64 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 2k8q s ILE 40 Cb -0.13 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2k8q s ILE 40 CO 0.52 0.55 0.11 -0.63 0.00 0.00 0.00 174.94 175.49 2k8q s ILE 41 N 0.04 4.66 -0.48 2.92 -1.09 0.05 -1.59 121.20 125.71 2k8q s ILE 41 Ca -0.07 -0.05 -0.15 0.00 -2.23 0.00 0.00 60.65 58.15 2k8q s ILE 41 Cb -0.15 -3.19 0.08 0.00 -1.58 0.00 0.00 42.46 37.62 2k8q s ILE 41 CO 0.05 0.31 0.41 0.12 -1.23 0.00 0.00 174.94 174.60 2k8q s PHE 42 N 1.63 3.25 -0.16 3.97 5.36 0.37 -2.44 117.98 129.95 2k8q s PHE 42 Ca 0.06 -1.00 0.19 0.00 -0.96 0.00 0.00 56.93 55.23 2k8q s PHE 42 Cb -0.15 -3.26 -0.28 0.00 -0.34 0.00 0.00 43.02 38.98 2k8q s PHE 42 CO 0.06 -0.83 0.48 1.58 -1.46 0.00 0.00 175.22 175.05 2k8q n HIS 43 N 5.20 0.00 -1.28 10.12 -0.00 -1.26 -1.51 115.22 126.49 2k8q n HIS 43 Ca -0.13 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.70 2k8q n HIS 43 Cb 0.43 -0.37 0.08 0.00 -0.12 0.00 0.00 29.99 30.01 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 -2.05 2.24 -1.29 0.27 0.00 -1.26 -4.73 117.00 110.17 2k8q n LEU 44 Ca -0.02 0.62 0.16 0.00 0.00 0.00 0.00 56.01 56.77 2k8q n LEU 44 Cb 0.47 -1.32 -0.07 0.00 0.00 0.00 0.00 43.42 42.50 2k8q n LEU 44 CO 0.40 -2.55 -0.46 -1.20 0.00 0.00 0.00 177.39 173.58 2k8q n SER 45 N -1.12 -7.49 0.00 1.96 7.64 -1.26 -4.17 113.62 109.17 2k8q n SER 45 Ca 0.11 1.05 0.07 0.00 1.01 0.00 0.00 58.87 61.12 2k8q n SER 45 Cb 0.50 -4.26 0.38 0.00 -1.01 0.00 0.00 64.21 59.82 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 -4.11 0.24 -4.40 1.43 -0.04 -1.26 -4.63 135.00 122.23 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 0.60 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 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 3.01 -0.09 0.54 2.02 -1.26 -5.07 117.35 113.99 2k8q s TYR 47 Ca 0.15 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.36 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 0.37 -0.47 -1.57 0.00 0.00 175.55 174.03 2k8q s TYR 48 N 0.42 3.58 0.02 2.71 5.04 -1.26 -4.64 117.35 123.22 2k8q s TYR 48 Ca -0.04 0.81 0.05 0.00 -2.44 0.00 0.00 57.07 55.45 2k8q s TYR 48 Cb -0.14 -2.35 -0.02 0.00 0.35 0.00 0.00 41.96 39.80 2k8q s TYR 48 CO 0.03 0.40 -0.15 -1.17 -1.34 0.00 0.00 175.55 173.32 2k8q s LEU 49 N -0.17 2.12 -0.21 6.97 0.20 -0.57 -4.59 118.68 122.44 2k8q s LEU 49 Ca 0.21 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.63 2k8q s LEU 49 Cb -0.15 -0.71 0.05 0.00 -0.43 0.00 0.00 46.19 44.95 2k8q s LEU 49 CO 0.09 0.10 -0.08 -0.60 -0.29 0.00 0.00 176.35 175.58 2k8q s ARG 50 N -0.89 1.79 -0.27 1.98 6.06 -1.26 -0.48 118.95 125.88 2k8q s ARG 50 Ca 0.04 -0.85 -0.09 0.00 -2.50 0.00 0.00 55.73 52.33 2k8q s ARG 50 Cb -0.07 -2.42 -0.03 0.00 0.06 0.00 0.00 34.95 32.49 2k8q s ARG 50 CO 0.01 -0.49 0.12 -0.51 -2.50 0.00 0.00 175.30 171.93 2k8q s LEU 51 N 1.43 3.74 -0.46 -0.88 1.43 -0.62 -4.11 118.68 119.20 2k8q s LEU 51 Ca -0.03 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2k8q s LEU 51 Cb -0.17 -2.00 0.12 0.00 0.03 0.00 0.00 46.19 44.17 2k8q s LEU 51 CO -0.07 -0.06 0.26 -0.60 0.23 0.00 0.00 176.35 176.10 2k8q s ARG 52 N 1.67 2.11 0.45 1.70 6.06 -1.25 -0.68 118.95 128.99 2k8q s ARG 52 Ca 0.06 -2.05 -0.09 0.00 -2.50 0.00 0.00 55.73 51.16 2k8q s ARG 52 Cb -0.16 -3.58 -0.05 0.00 0.06 0.00 0.00 34.95 31.22 2k8q s ARG 52 CO 0.07 -1.09 0.81 -0.06 -2.50 0.00 0.00 175.30 172.52 2k8q s PHE 53 N 0.75 3.51 -1.32 5.12 0.08 -1.26 -4.65 117.98 120.21 2k8q s PHE 53 Ca 0.11 1.02 0.15 0.00 0.12 0.00 0.00 56.93 58.32 2k8q s PHE 53 Cb -0.22 -2.44 0.71 0.00 -0.57 0.00 0.00 43.02 40.50 2k8q s PHE 53 CO -0.04 -0.22 1.42 -0.35 -0.10 0.00 0.00 175.22 175.93 2k8q n PRO 54 N -1.72 0.15 -2.85 0.24 -0.04 -1.26 -4.76 135.00 124.76 2k8q n PRO 54 Ca 0.02 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.54 2k8q n PRO 54 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.34 0.04 -4.40 0.54 8.25 -1.26 -5.14 115.22 111.90 2k8q n HIS 55 Ca 0.06 -0.93 -0.32 0.00 -0.26 0.00 0.00 57.72 56.27 2k8q n HIS 55 Cb 0.13 -0.14 -0.16 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.74 2.76 0.47 -0.41 -1.05 -1.26 -4.60 118.70 111.88 2k8q s GLU 56 Ca 0.03 -0.75 0.09 0.00 -0.15 0.00 0.00 54.97 54.18 2k8q s GLU 56 Cb -0.00 -2.32 0.03 0.00 -0.44 0.00 0.00 34.13 31.40 2k8q s GLU 56 CO 0.02 -0.10 0.64 -0.51 0.95 0.00 0.00 175.26 176.25 2k8q s LEU 57 N 1.06 3.46 0.01 1.83 1.43 -1.05 -3.50 118.68 121.92 2k8q s LEU 57 Ca -0.02 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2k8q s LEU 57 Cb -0.14 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2k8q s LEU 57 CO -0.06 -0.95 -0.07 -0.51 0.23 0.00 0.00 176.35 174.99 2k8q s ILE 58 N -2.46 0.55 -0.58 -0.59 2.07 -0.58 -4.29 121.20 115.31 2k8q s ILE 58 Ca 0.57 -0.48 -0.16 0.00 -1.41 0.00 0.00 60.65 59.17 2k8q s ILE 58 Cb -0.08 -0.50 0.14 0.00 0.13 0.00 0.00 42.46 42.15 2k8q s ILE 58 CO 0.35 0.03 0.55 -0.62 -1.91 0.00 0.00 174.94 173.34 2k8q s ASP 59 N -0.50 6.26 0.00 4.50 2.15 -1.26 -3.68 116.67 124.15 2k8q s ASP 59 Ca -0.00 -1.88 0.00 0.00 0.43 0.00 0.00 52.55 51.10 2k8q s ASP 59 Cb -0.04 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2k8q s ASP 59 CO -0.00 -0.84 0.00 -0.67 -0.17 0.00 0.00 175.17 173.49 2k8q n ASP 60 N 5.17 0.82 0.20 -0.34 -0.08 -1.26 -4.98 116.55 116.08 2k8q n ASP 60 Ca -0.10 -0.73 0.07 0.00 -1.51 0.00 0.00 54.79 52.52 2k8q n ASP 60 Cb 0.41 0.00 0.39 0.00 2.34 0.00 0.00 41.12 44.26 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 -0.03 -0.67 4.11 -2.04 -2.94 114.58 113.01 2k8q h GLU 61 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 2k8q h GLU 61 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k8q h GLU 61 CO 0.00 0.32 -0.72 0.07 0.07 0.00 0.00 179.01 178.75 2k8q h ARG 62 N 0.00 0.19 -6.68 1.06 -0.00 -1.98 -3.44 114.38 103.52 2k8q h ARG 62 Ca -0.00 -0.16 -0.53 0.00 -0.00 0.00 0.00 59.98 59.29 2k8q h ARG 62 Cb 0.83 0.03 0.05 0.00 -0.00 0.00 0.00 29.97 30.88 2k8q h ARG 62 CO 0.04 0.83 0.83 0.45 -0.00 0.00 0.00 179.97 182.12 2k8q s SER 63 N -6.90 6.59 -0.19 0.08 0.15 -1.11 -4.90 113.70 107.42 2k8q s SER 63 Ca -0.03 2.68 -0.35 0.00 0.70 0.00 0.00 55.95 58.94 2k8q s SER 63 Cb 0.11 -2.61 0.14 0.00 -1.71 0.00 0.00 66.02 61.95 2k8q s SER 63 CO 0.81 -0.79 1.26 0.28 1.20 0.00 0.00 173.24 175.99 2k8q s THR 64 N 0.56 0.00 0.01 6.45 -1.32 -1.00 -4.84 115.64 115.50 2k8q s THR 64 Ca 0.65 -0.02 0.08 0.00 -1.21 0.00 0.00 61.69 61.19 2k8q s THR 64 Cb -0.43 -1.10 -0.02 0.00 -1.51 0.00 0.00 72.50 69.43 2k8q s THR 64 CO 0.38 0.00 -0.24 0.00 -2.21 0.00 0.00 174.62 172.55 2k8q s ALA 65 N -2.33 2.00 -0.04 11.08 0.00 -1.26 -0.17 121.76 131.03 2k8q s ALA 65 Ca 0.10 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 51.04 2k8q s ALA 65 Cb -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2k8q s ALA 65 CO -0.04 0.48 -0.21 -0.65 0.00 0.00 0.00 175.76 175.34 2k8q s GLN 66 N -0.81 1.99 -0.11 0.00 -0.21 0.82 -4.97 119.66 116.37 2k8q s GLN 66 Ca 0.09 -0.74 -0.23 0.00 0.02 0.00 0.00 55.36 54.50 2k8q s GLN 66 Cb -0.09 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.12 2k8q s GLN 66 CO 0.00 0.35 0.72 -0.47 -2.12 0.00 0.00 175.29 173.78 2k8q s TYR 67 N -0.19 3.50 -0.27 0.91 5.04 -1.26 -1.17 117.35 123.91 2k8q s TYR 67 Ca 0.00 1.20 -0.09 0.00 -2.44 0.00 0.00 57.07 55.74 2k8q s TYR 67 Cb -0.11 -2.86 -0.02 0.00 0.35 0.00 0.00 41.96 39.32 2k8q s TYR 67 CO 0.02 -0.04 0.11 -0.51 -1.34 0.00 0.00 175.55 173.79 2k8q s ASP 68 N 0.96 5.39 -0.05 4.32 1.11 0.13 -4.97 116.67 123.56 2k8q s ASP 68 Ca 0.36 -0.29 -0.07 0.00 0.18 0.00 0.00 52.55 52.73 2k8q s ASP 68 Cb -0.17 -1.98 -0.29 0.00 1.07 0.00 0.00 42.92 41.56 2k8q s ASP 68 CO 0.15 -0.09 0.66 0.77 1.18 0.00 0.00 175.17 177.84 2k8q h SER 69 N 8.29 0.49 -0.81 0.27 4.64 -1.93 0.22 113.55 124.72 2k8q h SER 69 Ca -0.36 -0.79 0.23 0.00 -0.47 0.00 0.00 61.79 60.40 2k8q h SER 69 Cb 1.17 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 2k8q h SER 69 CO 0.59 1.68 0.58 0.07 -0.87 0.00 0.00 176.83 178.88 2k8q h LYS 70 N 0.09 0.01 -0.00 4.77 5.09 -1.96 -1.59 116.57 122.98 2k8q h LYS 70 Ca -0.33 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.41 2k8q h LYS 70 Cb 2.06 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.39 2k8q h LYS 70 CO 0.15 0.01 -0.01 -3.47 -2.09 0.00 0.00 179.45 174.04 2k8q n ASP 71 N -4.30 0.18 -1.71 7.07 2.03 -1.25 -5.00 116.55 113.56 2k8q n ASP 71 Ca 0.17 -0.59 -0.18 0.00 0.52 0.00 0.00 54.79 54.71 2k8q n ASP 71 Cb 0.87 0.84 -0.04 0.00 -0.72 0.00 0.00 41.12 42.07 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 -0.84 -1.34 -3.85 -0.67 4.71 0.64 -4.91 120.64 114.38 2k8q n GLU 72 Ca 0.00 1.00 -0.22 0.00 -0.01 0.00 0.00 57.16 57.93 2k8q n GLU 72 Cb 0.00 -5.38 -0.05 0.00 -1.01 0.00 0.00 31.44 25.01 2k8q n GLU 72 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k8q s ILE 74 N -2.50 2.79 -0.19 0.00 -1.09 -0.57 -0.69 121.20 118.94 2k8q s ILE 74 Ca 0.44 -0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 58.04 2k8q s ILE 74 Cb -0.01 -2.12 -0.02 0.00 -1.58 0.00 0.00 42.46 38.73 2k8q s ILE 74 CO 0.25 0.55 -0.03 0.20 -1.23 0.00 0.00 174.94 174.69 2k8q s ASN 75 N 0.00 4.64 -0.14 3.58 0.01 -0.31 -1.29 114.94 121.42 2k8q s ASN 75 Ca -0.05 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 2k8q s ASN 75 Cb -0.15 -1.78 -0.01 0.00 0.41 0.00 0.00 41.25 39.72 2k8q s ASN 75 CO 0.04 0.07 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.87 2k8q s VAL 76 N 0.96 2.81 -0.04 1.60 1.01 0.92 -0.13 120.40 127.53 2k8q s VAL 76 Ca 0.01 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2k8q s VAL 76 Cb -0.14 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2k8q s VAL 76 CO 0.01 0.52 -0.08 -0.75 0.00 0.00 0.00 175.10 174.80 2k8q s LYS 77 N 0.60 2.64 -0.23 2.72 2.20 0.75 -0.55 119.74 127.87 2k8q s LYS 77 Ca -0.09 -0.63 -0.11 0.00 -0.36 0.00 0.00 55.97 54.78 2k8q s LYS 77 Cb -0.16 -2.52 0.08 0.00 -1.51 0.00 0.00 37.83 33.72 2k8q s LYS 77 CO 0.03 0.64 0.54 0.54 -0.36 0.00 0.00 175.35 176.74 2k8q s VAL 78 N -0.85 -0.22 0.41 4.02 0.11 -0.96 -2.36 120.40 120.55 2k8q s VAL 78 Ca 0.13 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.05 2k8q s VAL 78 Cb -0.11 -0.80 -0.10 0.00 -1.53 0.00 0.00 36.38 33.83 2k8q s VAL 78 CO 0.03 0.02 0.90 0.00 -3.33 0.00 0.00 175.10 172.73 2k8q s ALA 79 N 1.84 3.11 0.52 1.54 0.00 -1.24 -0.25 121.76 127.29 2k8q s ALA 79 Ca -0.08 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.22 2k8q s ALA 79 Cb -0.08 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.02 2k8q s ALA 79 CO -0.16 0.15 0.72 0.15 0.00 0.00 0.00 175.76 176.62 2k8q s LYS 80 N -3.21 2.54 0.31 0.00 3.01 -1.26 -1.53 119.74 119.59 2k8q s LYS 80 Ca 0.60 -1.07 0.25 0.00 -1.01 0.00 0.00 55.97 54.74 2k8q s LYS 80 Cb -0.09 -2.59 0.60 0.00 -1.01 0.00 0.00 37.83 34.74 2k8q s LYS 80 CO 0.16 -0.64 1.70 -0.07 0.51 0.00 0.00 175.35 177.01 2k8q h LEU 81 N 0.23 0.00 -7.32 3.17 3.38 -1.88 -3.43 115.31 109.45 2k8q h LEU 81 Ca -0.40 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.28 2k8q h LEU 81 Cb 1.29 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.69 2k8q h LEU 81 CO 0.47 0.00 -0.65 0.20 0.09 0.00 0.00 178.44 178.55 2k8q s ASN 82 N -5.24 0.55 0.94 -0.43 0.01 -1.26 -5.12 114.94 104.39 2k8q s ASN 82 Ca 0.09 0.27 -0.11 0.00 -0.71 0.00 0.00 52.86 52.40 2k8q s ASN 82 Cb 0.09 0.17 0.16 0.00 0.41 0.00 0.00 41.25 42.08 2k8q s ASN 82 CO 0.63 -0.21 1.09 -0.75 -1.51 0.00 0.00 177.10 176.35 2k8q s LYS 83 N 1.92 0.86 -1.89 -0.60 2.20 -1.26 -3.09 119.74 117.89 2k8q s LYS 83 Ca -0.00 1.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 2k8q s LYS 83 Cb -0.12 -1.74 0.00 0.00 -1.51 0.00 0.00 37.83 34.46 2k8q s LYS 83 CO -0.05 -2.59 0.00 0.09 -0.36 0.00 0.00 175.35 172.44 2k8q n ASN 84 N -4.15 -5.52 -4.85 1.43 5.03 -0.95 -4.95 115.26 101.29 2k8q n ASN 84 Ca 0.08 0.44 -0.37 0.00 0.87 0.00 0.00 54.58 55.59 2k8q n ASN 84 Cb 0.54 -4.58 -0.06 0.00 -1.02 0.00 0.00 39.78 34.66 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 -3.50 3.74 0.40 3.52 2.12 -1.18 -4.98 118.70 118.82 2k8q s GLU 85 Ca 0.00 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.54 2k8q s GLU 85 Cb 0.00 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.20 2k8q s GLU 85 CO 0.00 0.72 0.06 2.48 -0.54 0.00 0.00 175.26 177.98 2k8q n TYR 86 N 1.83 0.55 -4.23 5.30 4.11 -1.26 -4.66 117.16 118.80 2k8q n TYR 86 Ca -0.16 -1.89 -0.13 0.00 -0.00 0.00 0.00 57.90 55.73 2k8q n TYR 86 Cb 0.53 -0.27 -0.10 0.00 -0.00 0.00 0.00 39.34 39.50 2k8q n TYR 86 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2k8q s PHE 87 N -2.33 1.15 -0.03 -3.48 0.40 -1.26 -5.02 117.98 107.41 2k8q s PHE 87 Ca 0.05 -0.99 0.04 0.00 -0.60 0.00 0.00 56.93 55.42 2k8q s PHE 87 Cb -0.00 -0.66 0.06 0.00 0.51 0.00 0.00 43.02 42.93 2k8q s PHE 87 CO 0.03 -0.19 0.88 0.39 0.70 0.00 0.00 175.22 177.02 2k8q n GLU 88 N -0.20 0.85 -1.02 0.44 1.02 -1.26 -4.75 120.64 115.71 2k8q n GLU 88 Ca -0.08 -1.25 0.04 0.00 -0.02 0.00 0.00 57.16 55.85 2k8q n GLU 88 Cb 0.63 -0.79 0.05 0.00 -0.02 0.00 0.00 31.44 31.30 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k8q n ASP 89 N -0.38 0.91 -1.26 1.62 9.92 -1.26 -4.78 116.55 121.31 2k8q n ASP 89 Ca 0.03 -2.31 0.12 0.00 -0.53 0.00 0.00 54.79 52.10 2k8q n ASP 89 Cb 0.54 -0.31 0.27 0.00 -0.64 0.00 0.00 41.12 40.98 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 3.72 -0.21 0.64 4.77 -1.26 -4.08 117.00 120.61 2k8q n LEU 90 Ca 0.07 -1.73 0.06 0.00 -0.03 0.00 0.00 56.01 54.37 2k8q n LEU 90 Cb 0.94 -0.37 0.10 0.00 -2.33 0.00 0.00 43.42 41.76 2k8q n LEU 90 CO -0.03 0.86 0.57 0.47 -1.33 0.00 0.00 177.39 177.94 2k8q n ASP 91 N 1.59 2.48 -3.79 -1.43 8.00 -1.26 -3.93 116.55 118.21 2k8q n ASP 91 Ca 0.22 -2.55 -0.30 0.00 0.71 0.00 0.00 54.79 52.87 2k8q n ASP 91 Cb 0.62 -0.26 -0.15 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.96 2.78 0.00 0.64 1.43 -1.26 -4.97 118.68 115.34 2k8q s LEU 92 Ca 0.20 -1.76 0.15 0.00 -1.03 0.00 0.00 54.13 51.69 2k8q s LEU 92 Cb 0.17 -1.03 0.72 0.00 0.03 0.00 0.00 46.19 46.07 2k8q s LEU 92 CO 0.04 -0.41 1.42 -0.81 0.23 0.00 0.00 176.35 176.83 2k8q n PRO 93 N 4.70 0.16 -0.05 1.29 -0.04 -1.26 -2.67 135.00 137.13 2k8q n PRO 93 Ca -0.01 0.17 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 2k8q n PRO 93 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.34 1.61 -0.22 0.52 -2.24 -1.26 -3.51 114.28 107.84 2k8q n THR 94 Ca 0.06 -0.69 -0.07 0.00 -2.27 0.00 0.00 64.05 61.08 2k8q n THR 94 Cb 0.13 -1.34 0.06 0.00 -2.10 0.00 0.00 70.33 67.08 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 0.03 1.08 -0.23 -0.78 6.56 -1.88 0.76 116.57 122.11 2k8q h LYS 95 Ca -0.46 -0.29 -0.12 0.00 -1.06 0.00 0.00 60.65 58.72 2k8q h LYS 95 Cb 2.02 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 33.56 2k8q h LYS 95 CO 0.03 1.00 -0.34 -0.07 -2.06 0.00 0.00 179.45 178.00 2k8q h LEU 96 N 1.01 0.69 -0.40 2.94 3.38 -1.73 -3.24 115.31 117.96 2k8q h LEU 96 Ca 0.20 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 2k8q h LEU 96 Cb 0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2k8q h LEU 96 CO 0.01 1.08 0.00 -0.07 0.09 0.00 0.00 178.44 179.55 2k8q h LEU 97 N 0.33 0.69 -9.67 1.67 4.07 -1.57 -3.34 115.31 107.49 2k8q h LEU 97 Ca 0.02 -0.31 -0.58 0.00 0.08 0.00 0.00 57.88 57.10 2k8q h LEU 97 Cb 0.93 -0.19 0.15 0.00 1.08 0.00 0.00 40.66 42.63 2k8q h LEU 97 CO 0.08 0.83 0.01 0.00 -1.08 0.00 0.00 178.44 178.27 2k8q n ALA 98 N -2.40 -0.16 -2.51 1.53 0.00 0.25 -5.00 120.51 112.22 2k8q n ALA 98 Ca -0.01 0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 2k8q n ALA 98 Cb 0.28 -2.03 -0.16 0.00 0.00 0.00 0.00 19.45 17.55 2k8q n ALA 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k8q s ARG 99 N -2.27 2.37 0.01 0.00 1.81 -1.26 -4.96 118.95 114.65 2k8q s ARG 99 Ca 0.69 -0.88 0.08 0.00 -1.72 0.00 0.00 55.73 53.90 2k8q s ARG 99 Cb -0.49 -2.16 -0.02 0.00 -0.45 0.00 0.00 34.95 31.83 2k8q s ARG 99 CO 0.53 0.50 -0.25 -1.14 -0.68 0.00 0.00 175.30 174.26 2k8q s GLN 100 N -0.44 1.87 0.54 3.54 0.74 -1.26 -5.12 119.66 119.54 2k8q s GLN 100 Ca 0.05 -0.96 -0.21 0.00 0.05 0.00 0.00 55.36 54.28 2k8q s GLN 100 Cb -0.12 -1.90 -0.05 0.00 1.10 0.00 0.00 33.01 32.04 2k8q s GLN 100 CO 0.01 0.51 1.28 0.20 -0.55 0.00 0.00 175.29 176.74 2k8q s GLY 101 N -0.85 2.83 -0.14 2.59 0.00 -1.26 -4.92 107.32 105.57 2k8q s GLY 101 Ca 0.10 1.17 -0.29 0.00 0.00 0.00 0.00 44.72 45.70 2k8q s GLY 101 CO 0.00 1.64 1.62 0.51 0.00 0.00 0.00 173.10 176.87 2k8q s ASP 102 N -1.21 6.54 -0.04 1.64 -4.77 -1.26 -4.83 116.67 112.73 2k8q s ASP 102 Ca 0.72 1.92 0.07 0.00 -3.30 0.00 0.00 52.55 51.96 2k8q s ASP 102 Cb -0.35 -2.53 -0.10 0.00 -1.09 0.00 0.00 42.92 38.85 2k8q s ASP 102 CO 0.41 -1.08 0.08 0.00 0.70 0.00 0.00 175.17 175.28 2k8q n LEU 103 N 7.75 0.00 -4.73 2.11 -0.00 -1.26 -5.03 117.00 115.84 2k8q n LEU 103 Ca 0.18 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.83 2k8q n LEU 103 Cb 0.44 0.10 0.08 0.00 -0.00 0.00 0.00 43.42 44.04 2k8q n LEU 103 CO 0.63 0.10 0.85 0.00 -0.00 0.00 0.00 177.39 178.97 2k8q s ALA 104 N -2.30 2.26 0.00 1.47 0.00 -1.26 -5.01 121.76 116.91 2k8q s ALA 104 Ca -0.03 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2k8q s ALA 104 Cb 0.03 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2k8q s ALA 104 CO 0.29 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 174.74 2k8q n GLY 105 N 0.66 3.97 3.57 0.00 0.00 -1.26 -5.05 105.19 107.09 2k8q n GLY 105 Ca 0.15 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 2k8q n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8q s ALA 106 N -2.00 2.18 0.60 4.61 0.00 -1.26 -4.96 121.76 120.93 2k8q s ALA 106 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 2k8q s ALA 106 Cb 0.00 -4.22 -0.01 0.00 0.00 0.00 0.00 23.12 18.89 2k8q s ALA 106 CO 0.00 -3.68 0.95 0.34 0.00 0.00 0.00 175.76 173.37 2k8q s ASP 107 N 9.55 5.86 0.25 0.00 2.15 -1.26 -5.09 116.67 128.14 2k8q s ASP 107 Ca 0.90 1.02 0.04 0.00 0.43 0.00 0.00 52.55 54.93 2k8q s ASP 107 Cb -0.21 -2.05 -0.03 0.00 -0.30 0.00 0.00 42.92 40.33 2k8q s ASP 107 CO 0.28 -0.97 0.39 0.00 -0.17 0.00 0.00 175.17 174.70 2k8q s ALA 108 N -3.06 3.89 -0.02 3.66 0.00 -1.26 -5.12 121.76 119.85 2k8q s ALA 108 Ca 0.54 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 2k8q s ALA 108 Cb -0.11 -1.80 0.10 0.00 0.00 0.00 0.00 23.12 21.31 2k8q s ALA 108 CO 0.49 0.22 0.89 -0.48 0.00 0.00 0.00 175.76 176.88 2k8q s LEU 109 N -3.96 -0.38 -0.27 0.00 0.05 -1.26 -5.16 118.68 107.70 2k8q s LEU 109 Ca 0.35 0.07 -0.02 0.00 0.05 0.00 0.00 54.13 54.58 2k8q s LEU 109 Cb -0.09 2.04 0.16 0.00 -2.05 0.00 0.00 46.19 46.24 2k8q s LEU 109 CO 0.30 -0.60 0.48 -0.89 -0.55 0.00 0.00 176.35 175.10 2k8q s THR 110 N -2.84 -0.79 0.44 5.48 2.01 -1.26 -5.15 115.64 113.53 2k8q s THR 110 Ca 0.04 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 2k8q s THR 110 Cb -0.01 -0.90 -0.10 0.00 0.01 0.00 0.00 72.50 71.50 2k8q s THR 110 CO -0.07 -0.06 0.98 -1.83 -0.69 0.00 0.00 174.62 172.95 2k8q s GLU 111 N 2.70 4.10 0.43 4.92 -1.05 -1.26 -5.06 118.70 123.48 2k8q s GLU 111 Ca 0.17 1.24 0.00 0.00 -0.15 0.00 0.00 54.97 56.23 2k8q s GLU 111 Cb -0.15 -2.21 -0.01 0.00 -0.44 0.00 0.00 34.13 31.32 2k8q s GLU 111 CO -0.18 -0.15 0.65 0.54 0.95 0.00 0.00 175.26 177.07 2k8q s ASN 112 N -2.04 5.91 -0.09 0.83 2.20 -1.26 -5.11 114.94 115.38 2k8q s ASN 112 Ca 0.63 0.31 -0.04 0.00 -0.94 0.00 0.00 52.86 52.82 2k8q s ASN 112 Cb -0.13 -1.61 0.04 0.00 -2.00 0.00 0.00 41.25 37.55 2k8q s ASN 112 CO 0.17 -0.63 0.20 -0.89 -2.94 0.00 0.00 177.10 173.00 2k8q s THR 113 N -2.52 -0.07 -0.03 0.54 2.01 -1.26 -5.13 115.64 109.18 2k8q s THR 113 Ca 0.47 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 2k8q s THR 113 Cb -0.10 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 2k8q s THR 113 CO 0.38 0.07 1.28 1.51 -0.69 0.00 0.00 174.62 177.17 2k8q s ASP 114 N 1.32 6.97 0.56 3.53 -4.77 -1.26 -5.03 116.67 117.99 2k8q s ASP 114 Ca -0.08 1.94 -0.01 0.00 -3.30 0.00 0.00 52.55 51.10 2k8q s ASP 114 Cb -0.11 -2.56 0.03 0.00 -1.09 0.00 0.00 42.92 39.19 2k8q s ASP 114 CO -0.07 -0.64 0.81 0.00 0.70 0.00 0.00 175.17 175.97 2k8q s ALA 115 N 2.29 3.67 0.07 2.11 0.00 -1.26 -5.11 121.76 123.53 2k8q s ALA 115 Ca 0.59 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 51.45 2k8q s ALA 115 Cb -0.27 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2k8q s ALA 115 CO 0.24 -0.79 0.02 -1.59 0.00 0.00 0.00 175.76 173.64 2k8q s LYS 116 N -4.84 2.69 0.18 0.00 0.00 -1.26 -5.10 119.74 111.42 2k8q s LYS 116 Ca 0.56 -0.75 -0.30 0.00 0.00 0.00 0.00 55.97 55.48 2k8q s LYS 116 Cb -0.10 -2.62 -0.08 0.00 0.00 0.00 0.00 37.83 35.03 2k8q s LYS 116 CO 0.40 0.57 1.03 0.21 0.00 0.00 0.00 175.35 177.56 2k8q s LYS 117 N -2.17 4.68 -0.36 1.78 2.36 -1.26 -4.97 119.74 119.80 2k8q s LYS 117 Ca 0.25 1.62 -0.28 0.00 -2.55 0.00 0.00 55.97 55.00 2k8q s LYS 117 Cb -0.12 -3.29 -0.01 0.00 -1.05 0.00 0.00 37.83 33.36 2k8q s LYS 117 CO 0.18 0.21 1.67 0.99 1.55 0.00 0.00 175.35 179.94 2k8q s THR 118 N -0.46 3.62 -0.64 3.43 2.01 -1.26 -4.94 115.64 117.40 2k8q s THR 118 Ca 0.47 0.63 -0.27 0.00 0.31 0.00 0.00 61.69 62.82 2k8q s THR 118 Cb -0.27 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.42 2k8q s THR 118 CO 0.34 -0.53 1.37 -1.58 -0.69 0.00 0.00 174.62 173.52 2k8q s GLN 119 N 5.41 3.22 -0.60 4.92 2.00 -1.26 -4.91 119.66 128.45 2k8q s GLN 119 Ca 0.73 0.16 0.06 0.00 -2.00 0.00 0.00 55.36 54.32 2k8q s GLN 119 Cb -0.19 -4.16 0.26 0.00 0.80 0.00 0.00 33.01 29.72 2k8q s GLN 119 CO 0.33 -2.06 0.74 0.36 -0.50 0.00 0.00 175.29 174.16 2k8q n LYS 120 N 8.97 2.35 -1.09 1.67 2.85 -1.26 -5.10 118.16 126.55 2k8q n LYS 120 Ca 0.09 -4.49 -0.30 0.00 -1.05 0.00 0.00 58.31 52.56 2k8q n LYS 120 Cb 0.49 -2.11 0.23 0.00 -0.65 0.00 0.00 35.03 32.99 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 -2.42 -0.94 -0.08 -1.58 0.04 -1.26 -5.07 135.00 123.69 2k8q s PRO 121 Ca 0.40 0.04 -0.01 0.00 0.04 0.00 0.00 61.00 61.47 2k8q s PRO 121 Cb 0.17 -1.62 0.03 0.00 0.04 0.00 0.00 34.50 33.12 2k8q s PRO 121 CO -0.04 -3.55 -0.02 -1.17 0.04 0.00 0.00 177.00 172.26 2k8q s LEU 122 N -6.86 0.83 -0.21 -3.56 2.96 -1.26 -5.13 118.68 105.45 2k8q s LEU 122 Ca 0.70 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 2k8q s LEU 122 Cb -0.11 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 2k8q s LEU 122 CO 0.56 -0.16 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.80 2k8q s ILE 123 N 1.76 3.81 0.25 6.68 1.01 -1.26 -5.08 121.20 128.37 2k8q s ILE 123 Ca 0.03 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 2k8q s ILE 123 Cb -0.13 -2.73 -0.10 0.00 0.01 0.00 0.00 42.46 39.52 2k8q s ILE 123 CO -0.05 0.42 1.40 -1.58 0.00 0.00 0.00 174.94 175.13 2k8q s GLN 124 N 1.17 4.29 0.18 2.79 2.00 -1.26 -5.01 119.66 123.82 2k8q s GLN 124 Ca 0.03 2.26 -0.04 0.00 -2.00 0.00 0.00 55.36 55.61 2k8q s GLN 124 Cb -0.14 -3.11 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 2k8q s GLN 124 CO 0.01 -0.37 0.40 -1.83 -0.50 0.00 0.00 175.29 173.01 2k8q s GLU 125 N -0.54 3.60 -0.39 1.67 -1.05 -1.26 -5.00 118.70 115.73 2k8q s GLU 125 Ca 0.57 -0.13 0.03 0.00 -0.15 0.00 0.00 54.97 55.29 2k8q s GLU 125 Cb -0.41 -2.82 0.56 0.00 -0.44 0.00 0.00 34.13 31.02 2k8q s GLU 125 CO 0.44 0.42 1.78 1.55 0.95 0.00 0.00 175.26 180.40 2k8q n VAL 126 N -0.23 2.88 -1.35 1.83 3.14 -1.26 -4.26 118.33 119.08 2k8q n VAL 126 Ca -0.03 -1.65 -0.01 0.00 -2.96 0.00 0.00 64.34 59.69 2k8q n VAL 126 Cb 0.52 -0.58 0.21 0.00 -1.06 0.00 0.00 33.84 32.93 2k8q n VAL 126 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2k8q n GLU 127 N -0.87 2.04 -0.71 1.45 4.07 -1.26 -4.50 120.64 120.86 2k8q n GLU 127 Ca 0.51 -3.10 0.05 0.00 -0.06 0.00 0.00 57.16 54.56 2k8q n GLU 127 Cb 1.45 -1.81 0.11 0.00 -0.06 0.00 0.00 31.44 31.13 2k8q n GLU 127 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2k8q n THR 128 N -1.01 1.16 -0.07 6.31 5.66 -1.26 -4.79 114.28 120.27 2k8q n THR 128 Ca 0.30 -1.86 -0.23 0.00 -3.05 0.00 0.00 64.05 59.22 2k8q n THR 128 Cb 1.00 0.22 -0.12 0.00 -1.55 0.00 0.00 70.33 69.88 2k8q n THR 128 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2k8q n ASP 129 N -0.56 1.97 0.00 1.09 9.92 -1.26 -5.08 116.55 122.63 2k8q n ASP 129 Ca 0.12 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 2k8q n ASP 129 Cb 0.80 -0.87 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 2k8q n ASP 129 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k8q n GLY 130 N 1.67 3.94 3.84 0.44 0.00 -1.26 -5.15 105.19 108.66 2k8q n GLY 130 Ca -0.36 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 4.87 1.19 1.61 -7.23 -1.26 -5.10 120.40 114.47 2k8q s VAL 131 Ca 0.00 -0.72 -0.14 0.00 -1.81 0.00 0.00 61.98 59.31 2k8q s VAL 131 Cb 0.00 -3.41 0.29 0.00 0.56 0.00 0.00 36.38 33.82 2k8q s VAL 131 CO 0.00 0.05 1.02 -0.55 -0.31 0.00 0.00 175.10 175.31 2k8q s SER 132 N -2.69 0.83 -0.17 4.85 0.15 -1.26 -5.01 113.70 110.40 2k8q s SER 132 Ca 0.32 1.33 -0.13 0.00 0.70 0.00 0.00 55.95 58.17 2k8q s SER 132 Cb -0.12 -2.06 -0.06 0.00 -1.71 0.00 0.00 66.02 62.08 2k8q s SER 132 CO 0.25 -4.26 -0.20 0.59 1.20 0.00 0.00 173.24 170.81 2k8q n ASN 133 N -4.94 1.86 0.00 5.45 4.13 -1.26 -5.32 115.26 115.18 2k8q n ASN 133 Ca 0.04 0.51 0.00 0.00 1.68 0.00 0.00 54.58 56.81 2k8q n ASN 133 Cb 0.56 -0.84 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 2k8q n ASN 133 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13