#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8p n TRP 2 N 0.00 2.11 -3.85 1.61 7.02 -1.26 -4.95 117.44 118.13 2k8p n TRP 2 Ca 0.00 -1.77 -0.12 0.00 -1.02 0.00 0.00 57.50 54.59 2k8p n TRP 2 Cb 0.00 -0.73 -0.12 0.00 -2.42 0.00 0.00 31.31 28.03 2k8p n TRP 2 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2k8p s GLN 3 N -3.29 0.18 0.01 -0.99 -0.21 -1.26 -5.17 119.66 108.93 2k8p s GLN 3 Ca 0.51 0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.94 2k8p s GLN 3 Cb 0.45 0.08 0.00 0.00 1.00 0.00 0.00 33.01 34.54 2k8p s GLN 3 CO 0.05 -0.03 0.01 0.00 -2.12 0.00 0.00 175.29 173.20 2k8p n ALA 4 N 2.76 0.02 -2.87 6.09 0.00 -1.26 -5.15 120.51 120.09 2k8p n ALA 4 Ca -0.14 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 2k8p n ALA 4 Cb 0.59 0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.90 2k8p n ALA 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k8p s PHE 5 N 0.17 0.94 0.29 0.00 0.40 -1.26 -5.15 117.98 113.37 2k8p s PHE 5 Ca 0.01 -0.21 -0.05 0.00 -0.60 0.00 0.00 56.93 56.08 2k8p s PHE 5 Cb -0.00 -0.64 0.07 0.00 0.51 0.00 0.00 43.02 42.96 2k8p s PHE 5 CO 0.00 -0.07 0.33 1.63 0.70 0.00 0.00 175.22 177.82 2k8p n LYS 6 N 3.10 -0.92 -4.40 0.44 4.76 -1.26 -5.09 118.16 114.79 2k8p n LYS 6 Ca -0.16 -0.51 -0.25 0.00 -2.87 0.00 0.00 58.31 54.52 2k8p n LYS 6 Cb 0.55 -0.40 -0.09 0.00 -1.84 0.00 0.00 35.03 33.25 2k8p n LYS 6 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2k8p s ASN 7 N -2.30 4.03 -0.01 4.39 3.84 -1.26 -5.15 114.94 118.48 2k8p s ASN 7 Ca 0.20 -1.00 -0.01 0.00 0.21 0.00 0.00 52.86 52.26 2k8p s ASN 7 Cb -0.01 -0.49 0.01 0.00 -0.55 0.00 0.00 41.25 40.20 2k8p s ASN 7 CO 0.14 -0.16 0.03 -0.62 -2.79 0.00 0.00 177.10 173.71 2k8p s ASP 8 N -3.66 -0.03 -0.09 -4.21 -1.08 -1.26 -5.15 116.67 101.20 2k8p s ASP 8 Ca 0.33 0.07 -0.04 0.00 -0.52 0.00 0.00 52.55 52.39 2k8p s ASP 8 Cb -0.01 0.05 0.05 0.00 -1.46 0.00 0.00 42.92 41.55 2k8p s ASP 8 CO 0.18 -0.03 0.19 0.00 0.52 0.00 0.00 175.17 176.04 2k8p s ALA 9 N 0.14 -0.36 -0.42 3.66 0.00 -1.26 -5.09 121.76 118.43 2k8p s ALA 9 Ca -0.01 0.78 0.06 0.00 0.00 0.00 0.00 51.96 52.79 2k8p s ALA 9 Cb -0.02 -0.63 0.21 0.00 0.00 0.00 0.00 23.12 22.68 2k8p s ALA 9 CO -0.00 -0.29 0.49 -2.37 0.00 0.00 0.00 175.76 173.58 2k8p n THR 10 N 4.54 -0.82 -1.25 0.00 5.66 -1.26 -5.13 114.28 116.01 2k8p n THR 10 Ca -0.20 -3.28 -0.30 0.00 -3.05 0.00 0.00 64.05 57.22 2k8p n THR 10 Cb 0.51 -1.28 0.12 0.00 -1.55 0.00 0.00 70.33 68.13 2k8p n THR 10 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k8p s GLU 11 N -0.29 1.73 -0.34 1.09 2.02 -1.26 -5.04 118.70 116.60 2k8p s GLU 11 Ca 0.33 0.96 -0.01 0.00 0.02 0.00 0.00 54.97 56.27 2k8p s GLU 11 Cb 0.10 -1.85 0.12 0.00 0.10 0.00 0.00 34.13 32.60 2k8p s GLU 11 CO -0.16 -1.95 0.17 0.42 0.02 0.00 0.00 175.26 173.76 2k8p s ILE 12 N -2.93 0.51 -0.72 -1.63 1.01 -1.26 -5.04 121.20 111.14 2k8p s ILE 12 Ca 0.62 -1.57 0.04 0.00 0.00 0.00 0.00 60.65 59.75 2k8p s ILE 12 Cb -0.17 -1.38 0.23 0.00 0.01 0.00 0.00 42.46 41.14 2k8p s ILE 12 CO 0.56 -0.83 0.75 -0.38 0.00 0.00 0.00 174.94 175.04 2k8p n ILE 13 N 4.44 2.50 -0.56 2.92 2.08 -1.26 -5.08 119.36 124.39 2k8p n ILE 13 Ca 0.04 -5.19 -0.04 0.00 0.56 0.00 0.00 62.75 58.12 2k8p n ILE 13 Cb 0.39 -2.15 0.03 0.00 -0.75 0.00 0.00 39.64 37.16 2k8p n ILE 13 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2k8p n PRO 14 N 1.31 -1.31 -3.64 0.38 -0.04 -1.26 -5.02 135.00 125.43 2k8p n PRO 14 Ca 0.26 -0.23 -0.27 0.00 -0.04 0.00 0.00 63.50 63.22 2k8p n PRO 14 Cb 0.38 -0.21 -0.10 0.00 -0.04 0.00 0.00 33.50 33.53 2k8p n PRO 14 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k8p n GLU 15 N -1.95 1.86 -1.26 0.54 2.13 -1.26 -5.10 120.64 115.61 2k8p n GLU 15 Ca 0.02 -4.36 -0.31 0.00 0.66 0.00 0.00 57.16 53.18 2k8p n GLU 15 Cb 0.08 -2.15 0.11 0.00 0.27 0.00 0.00 31.44 29.74 2k8p n GLU 15 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k8p s LEU 16 N -1.68 2.75 -0.34 4.31 1.02 -1.26 -5.05 118.68 118.43 2k8p s LEU 16 Ca 0.32 1.68 -0.06 0.00 0.02 0.00 0.00 54.13 56.09 2k8p s LEU 16 Cb 0.05 -4.28 0.19 0.00 0.02 0.00 0.00 46.19 42.16 2k8p s LEU 16 CO -0.11 -2.23 0.96 -0.83 0.02 0.00 0.00 176.35 174.16 2k8p s GLY 17 N -3.43 -1.46 0.51 -3.19 0.00 -1.26 -5.17 107.32 93.31 2k8p s GLY 17 Ca 0.62 1.10 0.08 0.00 0.00 0.00 0.00 44.72 46.52 2k8p s GLY 17 CO 0.56 4.17 0.58 -1.83 0.00 0.00 0.00 173.10 176.58 2k8p s GLU 18 N 1.99 2.43 -0.43 2.90 1.03 -1.26 -5.09 118.70 120.27 2k8p s GLU 18 Ca 0.15 -1.64 0.08 0.00 0.03 0.00 0.00 54.97 53.59 2k8p s GLU 18 Cb 0.01 -2.48 0.26 0.00 -0.80 0.00 0.00 34.13 31.12 2k8p s GLU 18 CO -0.14 -0.57 0.57 0.98 -1.33 0.00 0.00 175.26 174.77 2k8p n TYR 19 N -1.92 0.28 -2.17 4.83 9.36 -1.26 -5.10 117.16 121.17 2k8p n TYR 19 Ca 0.08 -3.66 -0.42 0.00 3.32 0.00 0.00 57.90 57.21 2k8p n TYR 19 Cb 0.62 -0.39 -0.03 0.00 -0.63 0.00 0.00 39.34 38.92 2k8p n TYR 19 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2k8p s PRO 20 N -1.46 4.25 0.29 2.98 0.04 -1.26 -5.02 135.00 134.81 2k8p s PRO 20 Ca 0.36 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.45 2k8p s PRO 20 Cb 0.18 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 2k8p s PRO 20 CO -0.09 -0.66 0.44 -1.21 0.04 0.00 0.00 177.00 175.51 2k8p s GLU 21 N 2.90 3.41 -0.29 4.56 2.02 -1.26 -5.04 118.70 125.00 2k8p s GLU 21 Ca 0.66 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.72 2k8p s GLU 21 Cb -0.31 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.10 2k8p s GLU 21 CO 0.26 0.29 1.66 -1.25 0.02 0.00 0.00 175.26 176.24 2k8p s PRO 22 N -4.12 3.59 0.96 0.39 0.04 -1.26 -5.00 135.00 129.59 2k8p s PRO 22 Ca 0.37 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 2k8p s PRO 22 Cb -0.09 -4.10 0.16 0.00 0.04 0.00 0.00 34.50 30.52 2k8p s PRO 22 CO 0.32 -1.55 1.09 -1.25 0.04 0.00 0.00 177.00 175.65 2k8p s PRO 23 N 5.09 0.75 0.77 0.56 0.04 -1.26 -5.05 135.00 135.90 2k8p s PRO 23 Ca 0.73 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 62.28 2k8p s PRO 23 Cb -0.22 -1.76 0.19 0.00 0.04 0.00 0.00 34.50 32.74 2k8p s PRO 23 CO 0.31 -2.54 0.68 -0.35 0.04 0.00 0.00 177.00 175.14 2k8p n PRO 24 N -4.06 -2.36 -2.68 0.56 -0.04 -1.26 -5.05 135.00 120.11 2k8p n PRO 24 Ca 0.06 -1.08 -0.04 0.00 -0.04 0.00 0.00 63.50 62.39 2k8p n PRO 24 Cb 0.56 -1.02 0.05 0.00 -0.04 0.00 0.00 33.50 33.05 2k8p n PRO 24 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k8p n GLU 25 N -3.59 0.20 -3.50 0.54 0.28 -1.26 -4.96 120.64 108.36 2k8p n GLU 25 Ca 0.09 -0.96 -0.41 0.00 -0.16 0.00 0.00 57.16 55.73 2k8p n GLU 25 Cb 0.37 -0.26 -0.04 0.00 1.43 0.00 0.00 31.44 32.93 2k8p n GLU 25 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2k8p s LEU 26 N 0.51 6.02 0.02 -1.84 2.34 -1.26 -4.97 118.68 119.49 2k8p s LEU 26 Ca 0.26 -3.24 0.05 0.00 0.06 0.00 0.00 54.13 51.25 2k8p s LEU 26 Cb 0.15 -2.06 -0.02 0.00 -0.56 0.00 0.00 46.19 43.70 2k8p s LEU 26 CO -0.10 -0.35 -0.16 -1.61 -1.06 0.00 0.00 176.35 173.07 2k8p s GLU 27 N -0.67 1.13 -0.24 1.48 2.02 -1.26 -5.12 118.70 116.04 2k8p s GLU 27 Ca 0.24 -0.69 -0.04 0.00 0.02 0.00 0.00 54.97 54.49 2k8p s GLU 27 Cb -0.11 -1.14 0.08 0.00 0.10 0.00 0.00 34.13 33.06 2k8p s GLU 27 CO -0.09 0.30 0.11 -0.80 0.02 0.00 0.00 175.26 174.81 2k8p s ASN 28 N -0.79 3.08 -0.16 -0.19 0.01 -1.26 -4.96 114.94 110.67 2k8p s ASN 28 Ca 0.04 -1.03 0.07 0.00 -0.71 0.00 0.00 52.86 51.23 2k8p s ASN 28 Cb -0.07 -0.32 0.20 0.00 0.41 0.00 0.00 41.25 41.48 2k8p s ASN 28 CO 0.01 -0.40 1.25 -0.46 -1.51 0.00 0.00 177.10 175.98 2k8p n ASN 29 N 5.26 -1.10 -3.81 -1.22 6.94 -1.26 -5.14 115.26 114.93 2k8p n ASN 29 Ca -0.06 -2.10 -0.09 0.00 -0.02 0.00 0.00 54.58 52.30 2k8p n ASN 29 Cb 0.45 0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 38.26 2k8p n ASN 29 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2k8p s LYS 30 N -0.02 1.37 0.56 -3.83 2.47 -1.26 -5.16 119.74 113.87 2k8p s LYS 30 Ca 0.05 -0.97 0.01 0.00 -1.56 0.00 0.00 55.97 53.51 2k8p s LYS 30 Cb 0.22 0.49 0.04 0.00 -1.46 0.00 0.00 37.83 37.12 2k8p s LYS 30 CO -0.06 -0.57 0.78 0.95 0.16 0.00 0.00 175.35 176.61 2k8p s THR 31 N -3.91 2.64 -0.11 3.43 -4.23 -1.26 -5.07 115.64 107.13 2k8p s THR 31 Ca 0.12 -0.66 -0.20 0.00 -1.18 0.00 0.00 61.69 59.77 2k8p s THR 31 Cb -0.00 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 2k8p s THR 31 CO -0.01 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 174.63 2k8p s MET 32 N -4.78 4.35 -0.38 3.99 0.23 -1.26 -4.96 119.30 116.49 2k8p s MET 32 Ca 0.58 0.60 0.00 0.00 -1.03 0.00 0.00 55.69 55.83 2k8p s MET 32 Cb -0.10 -3.46 0.26 0.00 -1.53 0.00 0.00 34.83 30.00 2k8p s MET 32 CO 0.39 0.08 1.12 -1.71 -2.03 0.00 0.00 175.02 172.87 2k8p n ASN 33 N 3.88 -1.81 -2.67 -1.18 5.15 -1.26 -5.05 115.26 112.31 2k8p n ASN 33 Ca -0.05 -2.22 -0.05 0.00 -0.60 0.00 0.00 54.58 51.66 2k8p n ASN 33 Cb 0.51 1.06 0.01 0.00 -0.53 0.00 0.00 39.78 40.83 2k8p n ASN 33 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2k8p n ARG 34 N 1.62 -2.48 -3.86 1.20 1.74 -1.26 -5.06 116.66 108.55 2k8p n ARG 34 Ca 0.04 2.16 -0.01 0.00 -0.77 0.00 0.00 57.85 59.28 2k8p n ARG 34 Cb 0.68 -5.16 0.01 0.00 -1.02 0.00 0.00 32.46 26.97 2k8p n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k8p s ALA 35 N -2.12 -1.91 -0.56 7.54 0.00 -1.26 -5.11 121.76 118.33 2k8p s ALA 35 Ca 0.15 -0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.79 2k8p s ALA 35 Cb -0.04 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.84 2k8p s ALA 35 CO 0.70 -1.08 1.08 -2.00 0.00 0.00 0.00 175.76 174.45 2k8p s GLU 36 N -2.29 3.45 -0.26 0.00 2.12 -1.26 -4.95 118.70 115.51 2k8p s GLU 36 Ca 0.22 0.06 -0.26 0.00 0.36 0.00 0.00 54.97 55.34 2k8p s GLU 36 Cb -0.01 -4.02 0.15 0.00 0.26 0.00 0.00 34.13 30.51 2k8p s GLU 36 CO 0.02 -1.57 1.15 1.21 -0.54 0.00 0.00 175.26 175.53 2k8p s ASN 37 N 2.86 -0.31 0.00 -1.70 3.84 -1.26 -5.09 114.94 113.29 2k8p s ASN 37 Ca 0.38 0.52 0.00 0.00 0.21 0.00 0.00 52.86 53.97 2k8p s ASN 37 Cb -0.09 0.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.11 2k8p s ASN 37 CO 0.23 -0.15 0.00 0.61 -2.79 0.00 0.00 177.10 175.00 2k8p n GLY 38 N 1.62 -0.56 3.32 1.21 0.00 -1.26 -5.13 105.19 104.39 2k8p n GLY 38 Ca -0.10 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2k8p n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k8p s GLY 39 N 0.00 2.01 0.25 -0.02 0.00 -1.26 -5.03 107.32 103.27 2k8p s GLY 39 Ca 0.00 -2.15 0.06 0.00 0.00 0.00 0.00 44.72 42.63 2k8p s GLY 39 CO 0.00 1.01 0.31 0.50 0.00 0.00 0.00 173.10 174.92 2k8p s ARG 40 N 1.52 3.21 0.96 2.90 3.00 -1.26 -5.11 118.95 124.17 2k8p s ARG 40 Ca 0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 55.73 54.74 2k8p s ARG 40 Cb -0.24 -2.76 0.17 0.00 0.00 0.00 0.00 34.95 32.12 2k8p s ARG 40 CO 0.04 0.38 1.09 -1.25 0.00 0.00 0.00 175.30 175.57 2k8p s PRO 41 N -3.95 0.74 -0.00 3.54 0.04 -1.26 -4.97 135.00 129.14 2k8p s PRO 41 Ca 0.35 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 2k8p s PRO 41 Cb -0.08 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2k8p s PRO 41 CO 0.28 -2.55 1.45 -1.25 0.04 0.00 0.00 177.00 174.97 2k8p s PRO 42 N -4.95 4.26 0.47 0.56 0.04 -1.26 -5.02 135.00 129.09 2k8p s PRO 42 Ca 0.65 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.71 2k8p s PRO 42 Cb -0.18 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.74 2k8p s PRO 42 CO 0.57 -0.63 0.68 -1.01 0.04 0.00 0.00 177.00 176.66 2k8p s HIS 43 N 2.63 3.15 0.78 0.56 3.76 -1.26 -5.08 115.29 119.83 2k8p s HIS 43 Ca 0.66 0.17 -0.11 0.00 -0.15 0.00 0.00 55.06 55.63 2k8p s HIS 43 Cb -0.32 -2.39 0.06 0.00 1.11 0.00 0.00 32.58 31.04 2k8p s HIS 43 CO 0.27 -0.44 1.09 -1.01 -0.85 0.00 0.00 174.74 173.80 2k8p s HIS 44 N -2.58 2.59 0.95 1.40 3.76 -1.26 -5.03 115.29 115.12 2k8p s HIS 44 Ca 0.50 1.51 -0.12 0.00 -0.15 0.00 0.00 55.06 56.80 2k8p s HIS 44 Cb -0.10 -3.05 0.16 0.00 1.11 0.00 0.00 32.58 30.70 2k8p s HIS 44 CO 0.38 -1.82 1.09 -1.25 -0.85 0.00 0.00 174.74 172.29 2k8p s PRO 45 N -4.92 0.86 -0.01 8.40 0.04 -1.26 -5.09 135.00 133.02 2k8p s PRO 45 Ca 0.61 0.68 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 2k8p s PRO 45 Cb -0.17 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.65 2k8p s PRO 45 CO 0.56 -2.48 0.54 -0.59 0.04 0.00 0.00 177.00 175.07 2k8p s PHE 46 N -2.95 -0.46 0.13 0.56 -0.12 -1.26 -5.16 117.98 108.72 2k8p s PHE 46 Ca 0.64 0.71 -0.13 0.00 -0.05 0.00 0.00 56.93 58.10 2k8p s PHE 46 Cb -0.18 0.31 -0.07 0.00 -0.63 0.00 0.00 43.02 42.45 2k8p s PHE 46 CO 0.57 -0.56 0.51 -1.83 -0.05 0.00 0.00 175.22 173.86 2k8p s GLU 47 N -1.59 3.91 -0.29 1.99 -1.05 -1.26 -5.08 118.70 115.33 2k8p s GLU 47 Ca -0.10 0.40 -0.13 0.00 -0.15 0.00 0.00 54.97 54.99 2k8p s GLU 47 Cb -0.02 -2.94 0.10 0.00 -0.44 0.00 0.00 34.13 30.84 2k8p s GLU 47 CO 0.05 0.49 0.68 0.95 0.95 0.00 0.00 175.26 178.39 2k8p s THR 48 N -1.46 -0.45 -0.45 1.83 -4.23 -1.26 -5.12 115.64 104.49 2k8p s THR 48 Ca 0.37 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.85 2k8p s THR 48 Cb -0.15 -1.00 0.12 0.00 1.34 0.00 0.00 72.50 72.81 2k8p s THR 48 CO 0.19 0.00 0.25 -0.54 -0.54 0.00 0.00 174.62 173.98 2k8p s LYS 49 N 2.21 2.13 -0.17 3.99 -0.14 -1.26 -5.04 119.74 121.45 2k8p s LYS 49 Ca -0.08 -1.93 -0.30 0.00 -1.36 0.00 0.00 55.97 52.30 2k8p s LYS 49 Cb -0.08 -3.64 0.14 0.00 -1.68 0.00 0.00 37.83 32.57 2k8p s LYS 49 CO -0.19 -1.10 1.07 0.34 -0.76 0.00 0.00 175.35 174.71 2k8p s ASP 50 N 1.72 -0.29 0.00 2.83 2.15 -1.26 -5.06 116.67 116.77 2k8p s ASP 50 Ca 0.09 0.27 0.03 0.00 0.43 0.00 0.00 52.55 53.37 2k8p s ASP 50 Cb -0.23 0.25 0.04 0.00 -0.30 0.00 0.00 42.92 42.68 2k8p s ASP 50 CO -0.04 -0.30 0.79 0.55 -0.17 0.00 0.00 175.17 176.00 2k8p n VAL 51 N 0.53 0.00 -1.38 1.11 3.14 -1.26 -4.92 118.33 115.56 2k8p n VAL 51 Ca -0.07 -0.10 -0.14 0.00 -2.96 0.00 0.00 64.34 61.06 2k8p n VAL 51 Cb 0.58 0.32 0.18 0.00 -1.06 0.00 0.00 33.84 33.87 2k8p n VAL 51 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2k8p n SER 52 N 0.05 3.19 -3.57 6.55 3.41 -1.26 -4.96 113.62 117.03 2k8p n SER 52 Ca -0.07 -3.72 -0.10 0.00 -0.26 0.00 0.00 58.87 54.73 2k8p n SER 52 Cb 0.65 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 2k8p n SER 52 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2k8p s GLU 53 N -3.30 0.60 0.00 4.33 2.12 -1.26 -5.08 118.70 116.11 2k8p s GLU 53 Ca 0.51 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.90 2k8p s GLU 53 Cb 0.44 0.28 0.00 0.00 0.26 0.00 0.00 34.13 35.11 2k8p s GLU 53 CO 0.04 -0.20 0.00 2.48 -0.54 0.00 0.00 175.26 177.04 2k8p n TYR 54 N 0.53 0.00 -0.15 5.30 4.11 -1.26 -5.09 117.16 120.60 2k8p n TYR 54 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.81 2k8p n TYR 54 Cb 0.59 0.10 0.00 0.00 -0.00 0.00 0.00 39.34 40.03 2k8p n TYR 54 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 2k8p n SER 55 N -2.57 -1.72 -4.80 9.48 7.64 -1.26 -3.93 113.62 116.46 2k8p n SER 55 Ca 0.00 -0.15 -0.34 0.00 1.01 0.00 0.00 58.87 59.39 2k8p n SER 55 Cb 0.33 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 2k8p n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8p s ARG 57 N -3.35 4.25 -0.11 0.00 1.70 0.37 -4.95 118.95 116.85 2k8p s ARG 57 Ca 0.67 0.60 -0.29 0.00 -0.47 0.00 0.00 55.73 56.24 2k8p s ARG 57 Cb -0.17 -3.34 -0.06 0.00 -0.57 0.00 0.00 34.95 30.81 2k8p s ARG 57 CO 0.23 0.38 2.01 -2.00 -1.08 0.00 0.00 175.30 174.84 2k8p s GLU 58 N -0.18 3.67 -0.22 3.89 -6.30 -1.26 -4.12 118.70 114.18 2k8p s GLU 58 Ca 0.28 2.21 -0.07 0.00 -2.50 0.00 0.00 54.97 54.89 2k8p s GLU 58 Cb -0.17 -4.23 -0.03 0.00 0.00 0.00 0.00 34.13 29.70 2k8p s GLU 58 CO 0.15 -1.49 0.07 -0.51 0.02 0.00 0.00 175.26 173.50 2k8p s LEU 59 N 6.17 3.60 -0.07 2.70 1.43 -1.17 -5.00 118.68 126.33 2k8p s LEU 59 Ca 0.90 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.97 2k8p s LEU 59 Cb -0.36 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 2k8p s LEU 59 CO 0.37 0.05 -0.24 -1.00 0.23 0.00 0.00 176.35 175.76 2k8p s HIS 60 N 1.09 2.42 -0.06 0.29 3.76 -1.26 -0.18 115.29 121.35 2k8p s HIS 60 Ca 0.04 -0.84 0.06 0.00 -0.15 0.00 0.00 55.06 54.17 2k8p s HIS 60 Cb -0.14 -1.60 -0.01 0.00 1.11 0.00 0.00 32.58 31.94 2k8p s HIS 60 CO 0.03 -0.30 -0.24 -0.06 -0.85 0.00 0.00 174.74 173.33 2k8p s PHE 61 N 0.07 2.34 0.07 1.40 0.40 0.24 -4.93 117.98 117.56 2k8p s PHE 61 Ca -0.10 -0.70 0.04 0.00 -0.60 0.00 0.00 56.93 55.57 2k8p s PHE 61 Cb -0.15 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 2k8p s PHE 61 CO 0.06 -0.22 -0.01 0.99 0.70 0.00 0.00 175.22 176.74 2k8p s THR 62 N -0.11 3.98 -0.25 0.64 2.01 -1.26 -0.68 115.64 119.98 2k8p s THR 62 Ca -0.04 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.79 2k8p s THR 62 Cb -0.14 -2.86 0.12 0.00 0.01 0.00 0.00 72.50 69.64 2k8p s THR 62 CO 0.04 0.19 1.03 -0.60 -0.69 0.00 0.00 174.62 174.59 2k8p s ARG 63 N -2.08 0.52 -0.32 4.92 3.00 -1.06 -4.96 118.95 118.97 2k8p s ARG 63 Ca 0.24 0.46 -0.20 0.00 -1.00 0.00 0.00 55.73 55.22 2k8p s ARG 63 Cb -0.12 0.25 -0.01 0.00 0.00 0.00 0.00 34.95 35.08 2k8p s ARG 63 CO 0.16 -0.10 0.60 0.71 0.00 0.00 0.00 175.30 176.67 2k8p s TYR 64 N -0.16 3.19 -0.14 5.12 2.02 -1.26 -1.44 117.35 124.68 2k8p s TYR 64 Ca 0.02 0.45 -0.17 0.00 -0.37 0.00 0.00 57.07 57.00 2k8p s TYR 64 Cb -0.04 -3.00 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2k8p s TYR 64 CO -0.04 -0.52 0.41 0.54 -1.57 0.00 0.00 175.55 174.38 2k8p s VAL 65 N 2.58 5.23 -0.08 0.71 0.11 -1.26 -4.99 120.40 122.69 2k8p s VAL 65 Ca 0.23 0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 60.06 2k8p s VAL 65 Cb -0.15 -3.75 0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2k8p s VAL 65 CO 0.13 0.34 0.15 0.42 -3.33 0.00 0.00 175.10 172.81 2k8p s THR 66 N 0.66 -0.20 -0.29 5.04 -4.23 -1.26 -0.90 115.64 114.47 2k8p s THR 66 Ca 0.22 0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 61.00 2k8p s THR 66 Cb -0.14 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.45 2k8p s THR 66 CO 0.08 0.13 0.01 -0.62 -0.54 0.00 0.00 174.62 173.68 2k8p s ASP 67 N 1.96 4.81 0.18 3.99 2.15 -1.18 -4.95 116.67 123.63 2k8p s ASP 67 Ca -0.01 -0.96 0.00 0.00 0.43 0.00 0.00 52.55 52.01 2k8p s ASP 67 Cb -0.12 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 2k8p s ASP 67 CO -0.06 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 2k8p n GLY 68 N 4.73 -0.14 0.00 2.66 0.00 -1.26 -3.39 105.19 107.80 2k8p n GLY 68 Ca -0.15 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 44.92 2k8p n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k8p n PRO 69 N 0.24 0.17 -3.30 1.61 -0.04 -1.26 -4.75 135.00 127.68 2k8p n PRO 69 Ca 0.00 0.17 -0.19 0.00 -0.04 0.00 0.00 63.50 63.43 2k8p n PRO 69 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 2k8p n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k8p s ARG 71 N -4.24 0.90 0.80 0.00 3.03 0.03 -3.10 118.95 116.38 2k8p s ARG 71 Ca 0.51 0.22 -0.14 0.00 2.03 0.00 0.00 55.73 58.35 2k8p s ARG 71 Cb -0.06 0.42 0.04 0.00 -1.03 0.00 0.00 34.95 34.31 2k8p s ARG 71 CO 0.30 -0.25 0.88 0.43 -1.13 0.00 0.00 175.30 175.53 2k8p n SER 72 N 1.29 -0.10 0.06 -2.89 7.64 -0.08 0.05 113.62 119.60 2k8p n SER 72 Ca -0.19 0.55 -0.09 0.00 1.01 0.00 0.00 58.87 60.15 2k8p n SER 72 Cb 0.57 -1.38 -0.13 0.00 -1.01 0.00 0.00 64.21 62.26 2k8p n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8p h ALA 73 N -0.83 0.33 -2.27 -0.43 0.00 -1.61 -3.44 119.26 111.01 2k8p h ALA 73 Ca -0.46 -0.96 -0.14 0.00 0.00 0.00 0.00 54.91 53.35 2k8p h ALA 73 Cb 1.31 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 2k8p h ALA 73 CO 0.43 1.22 -0.68 0.15 0.00 0.00 0.00 179.25 180.37 2k8p s LYS 74 N -2.68 0.69 0.65 0.00 1.02 -1.26 -5.13 119.74 113.03 2k8p s LYS 74 Ca -0.01 -1.27 -0.15 0.00 0.02 0.00 0.00 55.97 54.55 2k8p s LYS 74 Cb 0.09 0.17 -0.00 0.00 -0.52 0.00 0.00 37.83 37.57 2k8p s LYS 74 CO 0.84 -0.13 1.11 -1.25 -0.92 0.00 0.00 175.35 175.00 2k8p s PRO 75 N -3.94 2.84 -0.17 -1.68 0.04 -1.26 -4.74 135.00 126.08 2k8p s PRO 75 Ca 0.11 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 2k8p s PRO 75 Cb 0.08 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2k8p s PRO 75 CO -0.07 -1.22 0.03 0.54 0.04 0.00 0.00 177.00 176.31 2k8p s VAL 76 N -2.29 4.48 -0.33 -0.36 0.11 -0.52 -4.90 120.40 116.59 2k8p s VAL 76 Ca 0.67 -0.15 -0.12 0.00 -2.93 0.00 0.00 61.98 59.46 2k8p s VAL 76 Cb -0.21 -3.00 -0.01 0.00 -1.53 0.00 0.00 36.38 31.63 2k8p s VAL 76 CO 0.40 0.47 0.21 -0.89 -3.33 0.00 0.00 175.10 171.96 2k8p s THR 77 N 0.37 4.99 -0.06 5.04 2.01 -1.26 -2.56 115.64 124.18 2k8p s THR 77 Ca 0.01 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 2k8p s THR 77 Cb -0.13 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2k8p s THR 77 CO 0.01 0.00 0.01 -1.83 -0.69 0.00 0.00 174.62 172.13 2k8p s GLU 78 N 1.67 2.95 0.25 4.92 -1.05 0.15 -4.89 118.70 122.70 2k8p s GLU 78 Ca 0.05 -0.46 -0.06 0.00 -0.15 0.00 0.00 54.97 54.35 2k8p s GLU 78 Cb -0.17 -2.78 -0.06 0.00 -0.44 0.00 0.00 34.13 30.68 2k8p s GLU 78 CO 0.09 0.68 0.53 -1.17 0.95 0.00 0.00 175.26 176.34 2k8p s LEU 79 N -1.15 4.12 0.03 1.83 0.20 -1.25 -0.59 118.68 121.86 2k8p s LEU 79 Ca 0.16 0.77 -0.06 0.00 0.69 0.00 0.00 54.13 55.69 2k8p s LEU 79 Cb -0.11 -3.55 -0.01 0.00 -0.43 0.00 0.00 46.19 42.08 2k8p s LEU 79 CO 0.06 -0.13 0.11 -0.69 -0.29 0.00 0.00 176.35 175.41 2k8p s VAL 80 N -1.95 0.11 -0.30 1.68 1.01 0.75 -4.11 120.40 117.60 2k8p s VAL 80 Ca 0.45 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 2k8p s VAL 80 Cb -0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2k8p s VAL 80 CO 0.26 -0.52 0.27 0.00 0.00 0.00 0.00 175.10 175.11 2k8p s SER 82 N 1.72 -0.34 0.00 0.00 1.04 -1.26 -5.05 113.70 109.81 2k8p s SER 82 Ca 0.09 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2k8p s SER 82 Cb -0.16 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2k8p s SER 82 CO 0.11 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2k8p n GLY 83 N 1.90 0.91 3.08 7.32 0.00 -1.26 -0.48 105.19 116.66 2k8p n GLY 83 Ca -0.18 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 2k8p n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k8p s GLN 84 N -1.22 0.23 0.16 1.61 -0.21 -1.26 -4.76 119.66 114.20 2k8p s GLN 84 Ca 0.00 0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.79 2k8p s GLN 84 Cb 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 33.01 33.97 2k8p s GLN 84 CO 0.00 -0.10 0.04 0.00 -2.12 0.00 0.00 175.29 173.12 2k8p n GLY 86 N -0.18 0.69 3.72 0.00 0.00 -1.26 -4.92 105.19 103.24 2k8p n GLY 86 Ca -0.05 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 2k8p n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k8p s PRO 87 N -2.03 4.36 -0.39 1.61 0.04 -1.26 -4.98 135.00 132.34 2k8p s PRO 87 Ca 0.18 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.34 2k8p s PRO 87 Cb -0.02 -3.23 0.25 0.00 0.04 0.00 0.00 34.50 31.53 2k8p s PRO 87 CO 0.03 -0.35 0.52 0.00 0.04 0.00 0.00 177.00 177.25 2k8p n ALA 88 N 3.42 2.33 -2.26 8.56 0.00 -1.26 -5.12 120.51 126.18 2k8p n ALA 88 Ca 0.09 -3.32 -0.21 0.00 0.00 0.00 0.00 53.44 50.00 2k8p n ALA 88 Cb 0.43 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.07 2k8p n ALA 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k8p s ARG 89 N -1.06 2.94 -0.02 0.00 0.52 -1.26 -5.12 118.95 114.95 2k8p s ARG 89 Ca 0.35 -0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 2k8p s ARG 89 Cb 0.17 -2.63 0.03 0.00 0.52 0.00 0.00 34.95 33.03 2k8p s ARG 89 CO -0.12 -0.28 0.05 -0.51 0.02 0.00 0.00 175.30 174.45 2k8p s LEU 90 N -4.49 1.20 0.28 2.53 1.43 -1.26 -5.16 118.68 113.22 2k8p s LEU 90 Ca 0.50 0.08 0.11 0.00 -1.03 0.00 0.00 54.13 53.79 2k8p s LEU 90 Cb -0.10 0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.10 2k8p s LEU 90 CO 0.36 -0.11 -0.12 -0.76 0.23 0.00 0.00 176.35 175.95 2k8p s LEU 91 N 0.85 2.81 0.55 1.79 1.02 -1.26 -5.03 118.68 119.42 2k8p s LEU 91 Ca -0.07 -0.92 0.34 0.00 0.02 0.00 0.00 54.13 53.50 2k8p s LEU 91 Cb -0.10 -1.30 1.41 0.00 0.02 0.00 0.00 46.19 46.22 2k8p s LEU 91 CO -0.03 -0.01 2.00 1.55 0.02 0.00 0.00 176.35 179.88 2k8p h PRO 92 N 2.10 0.00 0.00 1.29 0.13 -2.06 -3.33 132.00 130.13 2k8p h PRO 92 Ca -0.42 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 2k8p h PRO 92 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2k8p h PRO 92 CO 0.61 0.00 -1.21 0.09 -0.23 0.00 0.00 178.00 177.27 2k8p n ASN 93 N -3.07 1.52 -2.76 1.44 4.13 -1.26 -5.10 115.26 110.17 2k8p n ASN 93 Ca 0.00 0.25 -0.01 0.00 1.68 0.00 0.00 54.58 56.51 2k8p n ASN 93 Cb 0.29 -0.58 -0.01 0.00 -1.54 0.00 0.00 39.78 37.94 2k8p n ASN 93 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k8p n ALA 94 N -4.02 -3.34 -2.32 5.41 0.00 -1.25 -5.07 120.51 109.92 2k8p n ALA 94 Ca -0.20 0.69 -0.19 0.00 0.00 0.00 0.00 53.44 53.74 2k8p n ALA 94 Cb 0.51 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 2k8p n ALA 94 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2k8p s ILE 95 N -1.43 0.21 0.00 0.00 -4.36 -1.26 -5.10 121.20 109.26 2k8p s ILE 95 Ca -0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2k8p s ILE 95 Cb 0.00 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.23 2k8p s ILE 95 CO 0.70 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.49 2k8p n GLY 96 N -0.60 0.52 2.90 6.27 0.00 -1.26 -5.07 105.19 107.96 2k8p n GLY 96 Ca 0.02 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 2k8p n GLY 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k8p n ARG 97 N 0.00 -2.56 0.11 1.61 0.63 -1.26 -5.00 116.66 110.19 2k8p n ARG 97 Ca 0.00 2.18 0.00 0.00 -0.92 0.00 0.00 57.85 59.11 2k8p n ARG 97 Cb 0.00 -4.91 0.00 0.00 0.45 0.00 0.00 32.46 28.00 2k8p n ARG 97 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k8p n GLY 98 N 0.13 -0.45 3.36 5.14 0.00 -1.26 -5.14 105.19 106.97 2k8p n GLY 98 Ca 0.05 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2k8p n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8p s LYS 99 N -2.00 1.38 -0.31 1.61 1.02 -1.26 -5.13 119.74 115.06 2k8p s LYS 99 Ca 0.00 -1.59 -0.05 0.00 0.02 0.00 0.00 55.97 54.35 2k8p s LYS 99 Cb 0.00 -1.26 0.03 0.00 -0.52 0.00 0.00 37.83 36.08 2k8p s LYS 99 CO 0.00 0.22 0.05 -1.58 -0.92 0.00 0.00 175.35 173.12 2k8p s TRP 100 N -2.76 3.20 -0.08 3.18 0.51 -1.26 -4.95 118.94 116.78 2k8p s TRP 100 Ca 0.23 -1.41 0.14 0.00 -2.12 0.00 0.00 56.10 52.94 2k8p s TRP 100 Cb -0.02 -2.20 -0.22 0.00 -0.81 0.00 0.00 33.47 30.22 2k8p s TRP 100 CO 0.08 -0.70 0.61 -2.67 -0.51 0.00 0.00 176.95 173.76 2k8p n TRP 101 N 4.77 0.85 -1.85 -1.98 2.14 -1.26 -4.93 117.44 115.17 2k8p n TRP 101 Ca -0.14 0.30 -0.31 0.00 2.07 0.00 0.00 57.50 59.42 2k8p n TRP 101 Cb 0.46 -1.13 0.02 0.00 -0.81 0.00 0.00 31.31 29.84 2k8p n TRP 101 CO 0.00 0.00 0.00 1.03 2.07 0.00 0.00 177.69 180.79 2k8p s ARG 102 N -2.66 3.46 0.48 -2.67 0.52 -1.26 -4.97 118.95 111.85 2k8p s ARG 102 Ca -0.05 0.73 0.27 0.00 -0.52 0.00 0.00 55.73 56.16 2k8p s ARG 102 Cb 0.08 -2.07 1.15 0.00 0.52 0.00 0.00 34.95 34.63 2k8p s ARG 102 CO 0.82 -0.67 1.92 -1.00 0.02 0.00 0.00 175.30 176.39 2k8p h PRO 103 N -0.39 0.00 -4.90 3.54 0.13 -2.00 -3.48 132.00 124.89 2k8p h PRO 103 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k8p h PRO 103 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2k8p h PRO 103 CO 0.62 0.15 -1.07 0.45 -0.23 0.00 0.00 178.00 177.92 2k8p n SER 104 N -3.36 -5.43 0.00 1.44 2.88 -1.26 -5.02 113.62 102.87 2k8p n SER 104 Ca -0.00 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 2k8p n SER 104 Cb 0.36 -4.95 0.00 0.00 -0.75 0.00 0.00 64.21 58.87 2k8p n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k8p n GLY 105 N 0.91 0.15 3.65 0.46 0.00 -1.26 -5.16 105.19 103.94 2k8p n GLY 105 Ca -0.12 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2k8p n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k8p s PRO 106 N 0.00 -0.01 -0.18 1.61 0.04 -1.26 -5.03 135.00 130.17 2k8p s PRO 106 Ca 0.00 0.37 -0.06 0.00 0.04 0.00 0.00 61.00 61.35 2k8p s PRO 106 Cb 0.00 -1.70 -0.09 0.00 0.04 0.00 0.00 34.50 32.75 2k8p s PRO 106 CO 0.00 -2.99 -0.21 -3.47 0.04 0.00 0.00 177.00 170.36 2k8p n ASP 107 N -4.33 1.74 -4.85 6.66 -0.08 -1.26 -5.00 116.55 109.42 2k8p n ASP 107 Ca 0.07 0.12 -0.36 0.00 -1.51 0.00 0.00 54.79 53.10 2k8p n ASP 107 Cb 0.58 -0.46 -0.06 0.00 2.34 0.00 0.00 41.12 43.52 2k8p n ASP 107 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2k8p s PHE 108 N -2.34 3.66 0.00 -0.67 0.40 -1.26 -4.94 117.98 112.82 2k8p s PHE 108 Ca -0.25 0.88 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 2k8p s PHE 108 Cb 0.09 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.40 2k8p s PHE 108 CO 0.35 0.59 0.00 0.54 0.70 0.00 0.00 175.22 177.40 2k8p n ARG 109 N 1.40 0.00 -4.04 0.44 3.00 -1.07 -3.80 116.66 112.58 2k8p n ARG 109 Ca -0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 57.85 57.50 2k8p n ARG 109 Cb 0.52 -0.31 -0.17 0.00 0.00 0.00 0.00 32.46 32.51 2k8p n ARG 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k8p s ILE 111 N 1.32 4.18 1.17 0.00 -4.36 0.37 -4.86 121.20 119.03 2k8p s ILE 111 Ca -0.04 -1.17 -0.18 0.00 -0.26 0.00 0.00 60.65 58.99 2k8p s ILE 111 Cb -0.14 -3.10 0.27 0.00 1.25 0.00 0.00 42.46 40.74 2k8p s ILE 111 CO -0.02 -0.07 1.11 -2.16 0.24 0.00 0.00 174.94 174.03 2k8p s PRO 112 N -2.93 -0.98 0.00 0.37 0.04 -1.26 -1.12 135.00 129.12 2k8p s PRO 112 Ca 0.29 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.35 2k8p s PRO 112 Cb -0.10 -1.62 -0.00 0.00 0.04 0.00 0.00 34.50 32.82 2k8p s PRO 112 CO 0.21 -3.57 0.00 -3.47 0.04 0.00 0.00 177.00 170.22 2k8p n ASP 113 N -4.67 -0.01 -4.56 6.66 -0.08 -1.15 -4.28 116.55 108.46 2k8p n ASP 113 Ca 0.12 -1.01 -0.42 0.00 -1.51 0.00 0.00 54.79 51.97 2k8p n ASP 113 Cb 0.59 0.01 0.00 0.00 2.34 0.00 0.00 41.12 44.07 2k8p n ASP 113 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2k8p n ARG 114 N -0.00 1.08 -3.35 -0.67 0.63 -1.26 -4.62 116.66 108.46 2k8p n ARG 114 Ca 0.00 0.39 -0.21 0.00 -0.92 0.00 0.00 57.85 57.11 2k8p n ARG 114 Cb 0.00 -1.82 0.02 0.00 0.45 0.00 0.00 32.46 31.11 2k8p n ARG 114 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2k8p s TYR 115 N -1.28 1.99 -0.18 -0.14 1.51 -1.26 -0.77 117.35 117.21 2k8p s TYR 115 Ca 0.63 -0.64 -0.07 0.00 -1.01 0.00 0.00 57.07 55.97 2k8p s TYR 115 Cb -0.61 -2.16 0.08 0.00 -0.11 0.00 0.00 41.96 39.16 2k8p s TYR 115 CO 0.58 -0.64 0.39 1.03 -1.11 0.00 0.00 175.55 175.80 2k8p s ARG 116 N -4.40 0.31 -0.37 -0.62 1.81 0.87 -4.52 118.95 112.03 2k8p s ARG 116 Ca 0.51 0.95 -0.23 0.00 -1.72 0.00 0.00 55.73 55.23 2k8p s ARG 116 Cb -0.05 0.21 0.01 0.00 -0.45 0.00 0.00 34.95 34.67 2k8p s ARG 116 CO 0.31 -0.24 0.79 0.00 -0.68 0.00 0.00 175.30 175.49 2k8p s ALA 117 N 2.34 3.41 -0.11 2.13 0.00 -1.26 -1.82 121.76 126.46 2k8p s ALA 117 Ca -0.03 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.16 2k8p s ALA 117 Cb -0.11 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2k8p s ALA 117 CO -0.12 -1.55 0.18 -1.14 0.00 0.00 0.00 175.76 173.13 2k8p s GLN 118 N 3.14 3.52 0.01 0.00 0.74 0.68 -4.88 119.66 122.88 2k8p s GLN 118 Ca 0.31 -0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.66 2k8p s GLN 118 Cb -0.13 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 2k8p s GLN 118 CO 0.18 0.76 0.13 1.03 -0.55 0.00 0.00 175.29 176.83 2k8p s ARG 119 N -1.00 3.21 0.22 1.67 0.52 -1.26 -0.57 118.95 121.74 2k8p s ARG 119 Ca 0.16 -0.45 0.07 0.00 -0.52 0.00 0.00 55.73 54.99 2k8p s ARG 119 Cb -0.13 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.35 2k8p s ARG 119 CO 0.05 0.64 -0.12 0.14 0.02 0.00 0.00 175.30 176.03 2k8p s VAL 120 N -1.30 1.72 -0.35 3.52 -7.23 0.12 -4.95 120.40 111.93 2k8p s VAL 120 Ca 0.27 -2.19 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 2k8p s VAL 120 Cb -0.12 -2.14 0.09 0.00 0.56 0.00 0.00 36.38 34.76 2k8p s VAL 120 CO 0.18 -0.52 0.07 -1.58 -0.31 0.00 0.00 175.10 172.94 2k8p s GLN 121 N -3.66 1.91 -0.08 4.82 0.74 -1.26 -1.51 119.66 120.60 2k8p s GLN 121 Ca 0.24 -1.69 -0.22 0.00 0.05 0.00 0.00 55.36 53.74 2k8p s GLN 121 Cb 0.00 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 2k8p s GLN 121 CO 0.08 -0.89 0.66 -0.51 -0.55 0.00 0.00 175.29 174.08 2k8p s LEU 122 N 1.07 4.30 0.11 3.68 1.43 0.93 -1.54 118.68 128.65 2k8p s LEU 122 Ca 0.05 1.10 0.04 0.00 -1.03 0.00 0.00 54.13 54.30 2k8p s LEU 122 Cb -0.21 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 2k8p s LEU 122 CO -0.05 -0.11 0.05 -0.76 0.23 0.00 0.00 176.35 175.71 2k8p s LEU 123 N 0.84 3.63 0.16 1.79 2.01 0.11 -0.17 118.68 127.05 2k8p s LEU 123 Ca 0.35 -0.13 0.08 0.00 0.01 0.00 0.00 54.13 54.45 2k8p s LEU 123 Cb -0.17 -2.32 -0.04 0.00 0.01 0.00 0.00 46.19 43.67 2k8p s LEU 123 CO 0.16 0.15 -0.09 0.00 1.01 0.00 0.00 176.35 177.58 2k8p n PRO 125 N 0.17 1.39 -2.69 0.00 -0.04 -1.26 -4.27 135.00 128.30 2k8p n PRO 125 Ca -0.11 -1.77 -0.12 0.00 -0.04 0.00 0.00 63.50 61.46 2k8p n PRO 125 Cb 0.55 -2.88 -0.01 0.00 -0.04 0.00 0.00 33.50 31.12 2k8p n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k8p n GLY 126 N 4.55 -0.49 0.05 0.55 0.00 -1.26 -4.77 105.19 103.83 2k8p n GLY 126 Ca 0.49 0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.47 2k8p n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8p n GLY 127 N -0.79 -0.40 3.48 -0.02 0.00 -1.26 -5.07 105.19 101.13 2k8p n GLY 127 Ca -0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 2k8p n GLY 127 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k8p s GLU 128 N -2.24 1.10 0.98 1.61 2.12 -1.26 -5.14 118.70 115.87 2k8p s GLU 128 Ca -0.08 -0.10 -0.14 0.00 0.36 0.00 0.00 54.97 55.01 2k8p s GLU 128 Cb 0.03 0.51 0.02 0.00 0.26 0.00 0.00 34.13 34.96 2k8p s GLU 128 CO 0.37 -0.42 0.23 0.00 -0.54 0.00 0.00 175.26 174.90 2k8p n ALA 129 N 0.26 -3.09 -1.77 6.30 0.00 -1.26 -4.16 120.51 116.79 2k8p n ALA 129 Ca -0.17 -0.70 -0.37 0.00 0.00 0.00 0.00 53.44 52.19 2k8p n ALA 129 Cb 0.61 -1.69 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 2k8p n ALA 129 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k8p s PRO 130 N -3.45 3.83 -0.11 0.00 0.04 -1.26 -4.64 135.00 129.42 2k8p s PRO 130 Ca 0.55 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.40 2k8p s PRO 130 Cb -0.19 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 2k8p s PRO 130 CO 0.69 -0.50 -0.15 1.03 0.04 0.00 0.00 177.00 178.11 2k8p s ARG 131 N -2.60 3.12 -0.01 4.56 0.52 0.76 -4.92 118.95 120.38 2k8p s ARG 131 Ca 0.62 -0.72 -0.19 0.00 -0.52 0.00 0.00 55.73 54.93 2k8p s ARG 131 Cb -0.29 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 32.60 2k8p s ARG 131 CO 0.36 0.31 0.53 0.00 0.02 0.00 0.00 175.30 176.52 2k8p s ALA 132 N 0.08 3.54 0.09 2.13 0.00 -1.26 -0.05 121.76 126.31 2k8p s ALA 132 Ca -0.06 -0.06 0.10 0.00 0.00 0.00 0.00 51.96 51.94 2k8p s ALA 132 Cb -0.15 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2k8p s ALA 132 CO 0.05 0.24 -0.26 1.03 0.00 0.00 0.00 175.76 176.82 2k8p s ARG 133 N -0.39 1.59 -0.12 0.00 1.81 -0.57 -4.94 118.95 116.33 2k8p s ARG 133 Ca 0.28 -1.24 0.02 0.00 -1.72 0.00 0.00 55.73 53.08 2k8p s ARG 133 Cb -0.18 -1.95 0.00 0.00 -0.45 0.00 0.00 34.95 32.37 2k8p s ARG 133 CO 0.16 0.48 -0.21 0.21 -0.68 0.00 0.00 175.30 175.26 2k8p s LYS 134 N -1.73 3.11 -0.11 3.54 2.20 -1.26 0.14 119.74 125.63 2k8p s LYS 134 Ca 0.13 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.93 2k8p s LYS 134 Cb -0.10 -2.44 0.02 0.00 -1.51 0.00 0.00 37.83 33.80 2k8p s LYS 134 CO 0.05 0.10 -0.14 0.14 -0.36 0.00 0.00 175.35 175.14 2k8p s VAL 135 N 0.55 1.42 -0.53 4.02 -7.23 0.27 -4.97 120.40 113.92 2k8p s VAL 135 Ca -0.12 -0.59 -0.20 0.00 -1.81 0.00 0.00 61.98 59.25 2k8p s VAL 135 Cb -0.17 -1.31 0.06 0.00 0.56 0.00 0.00 36.38 35.52 2k8p s VAL 135 CO 0.04 0.43 0.73 -0.60 -0.31 0.00 0.00 175.10 175.38 2k8p s ARG 136 N 1.03 3.16 0.21 4.82 3.52 -1.26 -0.23 118.95 130.20 2k8p s ARG 136 Ca -0.06 -0.78 0.11 0.00 -0.13 0.00 0.00 55.73 54.86 2k8p s ARG 136 Cb -0.15 -4.11 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 2k8p s ARG 136 CO -0.02 -1.35 -0.18 -0.48 -0.81 0.00 0.00 175.30 172.46 2k8p s LEU 137 N 3.03 2.65 0.39 -0.88 2.34 -0.76 -4.94 118.68 120.52 2k8p s LEU 137 Ca 0.19 -0.80 -0.27 0.00 0.06 0.00 0.00 54.13 53.31 2k8p s LEU 137 Cb -0.18 -1.32 -0.11 0.00 -0.56 0.00 0.00 46.19 44.02 2k8p s LEU 137 CO 0.13 0.10 1.34 0.52 -1.06 0.00 0.00 176.35 177.37 2k8p n VAL 138 N -0.01 2.29 -0.09 1.48 0.31 -1.26 -0.09 118.33 120.96 2k8p n VAL 138 Ca -0.10 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.62 2k8p n VAL 138 Cb 0.57 -1.68 -0.11 0.00 -0.91 0.00 0.00 33.84 31.71 2k8p n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k8p n ALA 139 N 0.10 1.60 -2.44 3.52 0.00 0.05 -3.84 120.51 119.50 2k8p n ALA 139 Ca 0.05 -0.94 -0.14 0.00 0.00 0.00 0.00 53.44 52.41 2k8p n ALA 139 Cb 0.38 -0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 2k8p n ALA 139 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k8p s SER 140 N -5.33 0.57 -0.04 0.00 0.01 -0.47 -4.99 113.70 103.46 2k8p s SER 140 Ca -0.16 -1.43 -0.17 0.00 1.31 0.00 0.00 55.95 55.51 2k8p s SER 140 Cb 0.06 0.48 0.03 0.00 0.21 0.00 0.00 66.02 66.80 2k8p s SER 140 CO 0.55 -0.99 0.37 0.00 0.41 0.00 0.00 173.24 173.58 2k8p s LYS 142 N -1.05 1.08 -0.32 0.00 1.02 -0.28 -4.91 119.74 115.29 2k8p s LYS 142 Ca -0.11 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 54.64 2k8p s LYS 142 Cb -0.04 -1.11 0.06 0.00 -0.52 0.00 0.00 37.83 36.22 2k8p s LYS 142 CO 0.04 0.23 0.03 0.00 -0.92 0.00 0.00 175.35 174.74 2k8p s LYS 144 N 1.21 0.41 -0.17 0.00 1.02 0.78 -4.92 119.74 118.08 2k8p s LYS 144 Ca -0.02 0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.10 2k8p s LYS 144 Cb -0.20 0.19 0.02 0.00 -0.52 0.00 0.00 37.83 37.32 2k8p s LYS 144 CO -0.02 -0.08 -0.17 -0.98 -0.92 0.00 0.00 175.35 173.18 2k8p s ARG 145 N -0.41 2.63 -0.27 1.68 1.70 -1.25 -2.61 118.95 120.43 2k8p s ARG 145 Ca -0.05 -0.73 -0.32 0.00 -0.47 0.00 0.00 55.73 54.15 2k8p s ARG 145 Cb -0.03 -2.38 0.17 0.00 -0.57 0.00 0.00 34.95 32.14 2k8p s ARG 145 CO 0.01 -0.24 1.33 -1.17 -1.08 0.00 0.00 175.30 174.15 2k8p s LEU 146 N 1.37 -0.06 0.19 -1.89 2.96 -1.25 -4.96 118.68 115.05 2k8p s LEU 146 Ca 0.04 0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.08 2k8p s LEU 146 Cb -0.13 1.15 -0.04 0.00 0.50 0.00 0.00 46.19 47.67 2k8p s LEU 146 CO -0.12 -0.07 -0.01 0.28 -1.32 0.00 0.00 176.35 175.11 2k8p s THR 147 N -1.45 3.61 -0.12 3.68 -1.32 -1.26 -4.43 115.64 114.34 2k8p s THR 147 Ca 0.09 -1.55 0.19 0.00 -1.21 0.00 0.00 61.69 59.21 2k8p s THR 147 Cb -0.01 -2.84 0.44 0.00 -1.51 0.00 0.00 72.50 68.58 2k8p s THR 147 CO -0.06 -0.17 1.18 0.54 -2.21 0.00 0.00 174.62 173.91 2k8p n ARG 148 N -0.28 1.02 -0.22 7.08 5.12 -1.26 -5.12 116.66 123.00 2k8p n ARG 148 Ca -0.09 -2.79 0.03 0.00 -1.93 0.00 0.00 57.85 53.07 2k8p n ARG 148 Cb 0.56 -0.91 -0.01 0.00 -1.16 0.00 0.00 32.46 30.94 2k8p n ARG 148 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2k8p n PHE 149 N -0.26 -2.00 -3.64 -1.55 7.35 -1.26 -4.96 117.46 111.14 2k8p n PHE 149 Ca 0.14 0.27 -0.12 0.00 -0.76 0.00 0.00 57.45 56.98 2k8p n PHE 149 Cb 0.94 -0.35 -0.06 0.00 0.35 0.00 0.00 39.48 40.37 2k8p n PHE 149 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 2k8p s HIS 150 N -0.41 -0.26 0.42 -5.13 2.46 -1.26 -5.05 115.29 106.07 2k8p s HIS 150 Ca 0.00 0.13 -0.02 0.00 0.47 0.00 0.00 55.06 55.64 2k8p s HIS 150 Cb 0.00 0.25 0.09 0.00 -0.13 0.00 0.00 32.58 32.78 2k8p s HIS 150 CO 0.00 -0.63 0.58 -1.71 -2.47 0.00 0.00 174.74 170.52 2k8p n ASN 151 N 0.23 0.61 -2.51 9.88 2.85 -1.26 -5.12 115.26 119.95 2k8p n ASN 151 Ca -0.18 -1.55 -0.06 0.00 -0.11 0.00 0.00 54.58 52.68 2k8p n ASN 151 Cb 0.61 -0.39 -0.01 0.00 1.24 0.00 0.00 39.78 41.23 2k8p n ASN 151 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k8p n GLN 152 N -2.11 1.76 -3.84 1.20 10.64 -1.26 -5.01 117.38 118.77 2k8p n GLN 152 Ca 0.09 -0.70 -0.03 0.00 -1.83 0.00 0.00 57.00 54.54 2k8p n GLN 152 Cb 0.32 0.19 0.01 0.00 -0.86 0.00 0.00 30.24 29.90 2k8p n GLN 152 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 2k8p s SER 153 N -1.53 -0.04 -0.14 2.61 1.04 -1.26 -5.16 113.70 109.22 2k8p s SER 153 Ca 0.00 -0.56 -0.30 0.00 0.48 0.00 0.00 55.95 55.57 2k8p s SER 153 Cb -0.00 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.71 2k8p s SER 153 CO 0.00 -0.90 0.98 -1.83 0.98 0.00 0.00 173.24 172.47 2k8p s GLU 154 N -2.46 0.63 0.13 4.02 4.04 -1.26 -5.19 118.70 118.61 2k8p s GLU 154 Ca 0.19 0.09 -0.15 0.00 0.04 0.00 0.00 54.97 55.14 2k8p s GLU 154 Cb -0.02 0.30 0.03 0.00 0.02 0.00 0.00 34.13 34.46 2k8p s GLU 154 CO 0.04 -0.21 0.38 -1.17 -1.84 0.00 0.00 175.26 172.46 2k8p s LEU 155 N -1.31 0.50 0.42 1.83 2.96 -1.26 -5.18 118.68 116.64 2k8p s LEU 155 Ca -0.01 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2k8p s LEU 155 Cb -0.01 1.75 -0.05 0.00 0.50 0.00 0.00 46.19 48.39 2k8p s LEU 155 CO 0.00 -0.85 0.16 -0.75 -1.32 0.00 0.00 176.35 173.59 2k8p s LYS 156 N -3.82 2.19 -0.30 1.98 2.47 -1.26 -5.14 119.74 115.86 2k8p s LYS 156 Ca 0.04 -1.91 -0.15 0.00 -1.56 0.00 0.00 55.97 52.38 2k8p s LYS 156 Cb 0.02 -1.92 0.18 0.00 -1.46 0.00 0.00 37.83 34.65 2k8p s LYS 156 CO -0.11 -0.13 1.10 0.34 0.16 0.00 0.00 175.35 176.71 2k8p s ASP 157 N -3.89 -0.37 -0.09 1.43 2.15 -1.26 -5.15 116.67 109.50 2k8p s ASP 157 Ca 0.39 0.33 -0.03 0.00 0.43 0.00 0.00 52.55 53.67 2k8p s ASP 157 Cb 0.05 1.35 0.04 0.00 -0.30 0.00 0.00 42.92 44.06 2k8p s ASP 157 CO 0.21 -0.07 0.11 -0.36 -0.17 0.00 0.00 175.17 174.89 2k8p s PHE 158 N 2.67 -0.03 -0.05 -5.34 0.40 -1.26 -5.14 117.98 109.23 2k8p s PHE 158 Ca -0.02 0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.58 2k8p s PHE 158 Cb -0.07 -0.43 0.02 0.00 0.51 0.00 0.00 43.02 43.05 2k8p s PHE 158 CO -0.13 -0.29 0.12 0.20 0.70 0.00 0.00 175.22 175.82 2k8p s GLY 159 N 2.22 -0.06 -0.29 4.36 0.00 -1.26 -5.15 107.32 107.15 2k8p s GLY 159 Ca 0.04 0.44 -0.24 0.00 0.00 0.00 0.00 44.72 44.95 2k8p s GLY 159 CO -0.05 0.53 1.25 -0.51 0.00 0.00 0.00 173.10 174.32 2k8p s THR 160 N 0.48 0.00 0.06 0.90 -4.23 -1.26 -5.19 115.64 106.40 2k8p s THR 160 Ca -0.03 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 2k8p s THR 160 Cb -0.05 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 2k8p s THR 160 CO -0.02 0.00 0.02 -0.70 -0.54 0.00 0.00 174.62 173.38 2k8p s GLU 161 N 0.21 0.65 0.25 3.99 2.12 -1.26 -5.18 118.70 119.48 2k8p s GLU 161 Ca 0.04 -1.11 -0.01 0.00 0.36 0.00 0.00 54.97 54.25 2k8p s GLU 161 Cb -0.05 0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.58 2k8p s GLU 161 CO -0.12 -0.14 0.35 0.00 -0.54 0.00 0.00 175.26 174.81 2k8p n ALA 162 N 0.17 -0.22 -2.94 6.30 0.00 -1.26 -5.19 120.51 117.37 2k8p n ALA 162 Ca -0.15 -1.17 -0.10 0.00 0.00 0.00 0.00 53.44 52.02 2k8p n ALA 162 Cb 0.61 0.94 -0.05 0.00 0.00 0.00 0.00 19.45 20.95 2k8p n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k8p s ALA 163 N -2.45 -0.82 -0.47 0.00 0.00 -1.26 -5.11 121.76 111.64 2k8p s ALA 163 Ca 0.21 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.13 2k8p s ALA 163 Cb -0.01 0.63 0.23 0.00 0.00 0.00 0.00 23.12 23.97 2k8p s ALA 163 CO 0.15 -0.60 0.76 2.89 0.00 0.00 0.00 175.76 178.96 2k8p n ARG 164 N -0.13 0.68 -1.08 0.00 -4.01 -1.26 -5.15 116.66 105.71 2k8p n ARG 164 Ca -0.16 -2.14 -0.30 0.00 -1.04 0.00 0.00 57.85 54.20 2k8p n ARG 164 Cb 0.63 -1.44 0.24 0.00 -3.04 0.00 0.00 32.46 28.86 2k8p n ARG 164 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 2k8p s PRO 165 N 0.36 -1.32 -0.18 2.89 0.04 -1.26 -5.06 135.00 130.47 2k8p s PRO 165 Ca 0.32 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.26 2k8p s PRO 165 Cb 0.16 -1.59 0.04 0.00 0.04 0.00 0.00 34.50 33.15 2k8p s PRO 165 CO -0.18 -3.77 -0.09 -1.14 0.04 0.00 0.00 177.00 171.86 2k8p s GLN 166 N -5.43 1.88 0.45 4.56 0.74 -1.26 -5.13 119.66 115.46 2k8p s GLN 166 Ca 0.71 -0.70 0.06 0.00 0.05 0.00 0.00 55.36 55.48 2k8p s GLN 166 Cb -0.09 -2.24 0.01 0.00 1.10 0.00 0.00 33.01 31.79 2k8p s GLN 166 CO 0.56 -0.40 0.62 0.15 -0.55 0.00 0.00 175.29 175.66 2k8p s LYS 167 N 1.48 2.80 0.15 1.67 -0.14 -1.26 -5.13 119.74 119.32 2k8p s LYS 167 Ca 0.00 -1.05 -0.00 0.00 -1.36 0.00 0.00 55.97 53.56 2k8p s LYS 167 Cb -0.15 -2.68 0.00 0.00 -1.68 0.00 0.00 37.83 33.31 2k8p s LYS 167 CO -0.08 -0.35 0.20 0.41 -0.76 0.00 0.00 175.35 174.77 2k8p n GLY 168 N -1.97 2.81 3.58 -3.33 0.00 -1.26 -5.18 105.19 99.83 2k8p n GLY 168 Ca 0.07 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 2k8p n GLY 168 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k8p s ARG 169 N -2.39 0.70 -0.63 1.61 3.52 -1.26 -5.09 118.95 115.41 2k8p s ARG 169 Ca 0.14 0.28 0.06 0.00 -0.13 0.00 0.00 55.73 56.08 2k8p s ARG 169 Cb -0.00 0.33 0.25 0.00 -1.56 0.00 0.00 34.95 33.97 2k8p s ARG 169 CO 0.10 -0.19 0.73 1.63 -0.81 0.00 0.00 175.30 176.75 2k8p n LYS 170 N 1.09 2.40 -2.14 5.12 4.76 -1.26 -5.07 118.16 123.07 2k8p n LYS 170 Ca -0.13 -4.58 -0.43 0.00 -2.87 0.00 0.00 58.31 50.31 2k8p n LYS 170 Cb 0.57 -2.19 -0.03 0.00 -1.84 0.00 0.00 35.03 31.54 2k8p n LYS 170 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2k8p s PRO 171 N -2.38 4.09 -0.40 1.97 0.04 -1.26 -4.94 135.00 132.11 2k8p s PRO 171 Ca 0.39 1.92 0.08 0.00 0.04 0.00 0.00 61.00 63.43 2k8p s PRO 171 Cb 0.15 -3.95 0.25 0.00 0.04 0.00 0.00 34.50 30.99 2k8p s PRO 171 CO -0.02 -0.94 0.56 -2.13 0.04 0.00 0.00 177.00 174.52 2k8p n ARG 172 N 7.15 0.70 -2.25 4.56 0.63 -1.26 -5.13 116.66 121.07 2k8p n ARG 172 Ca 0.17 -3.03 -0.40 0.00 -0.92 0.00 0.00 57.85 53.67 2k8p n ARG 172 Cb 0.44 -1.26 -0.03 0.00 0.45 0.00 0.00 32.46 32.07 2k8p n ARG 172 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2k8p s PRO 173 N -0.91 4.33 -0.08 -0.14 0.04 -1.26 -5.04 135.00 131.94 2k8p s PRO 173 Ca 0.35 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.40 2k8p s PRO 173 Cb 0.17 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.75 2k8p s PRO 173 CO -0.13 -0.13 -0.09 1.03 0.04 0.00 0.00 177.00 177.72 2k8p s ARG 174 N -1.85 1.42 0.27 4.56 0.52 -1.26 -5.14 118.95 117.46 2k8p s ARG 174 Ca 0.50 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.46 2k8p s ARG 174 Cb -0.35 -1.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.74 2k8p s ARG 174 CO 0.46 -0.10 0.07 0.00 0.02 0.00 0.00 175.30 175.75 2k8p s ALA 175 N 1.10 1.88 0.23 2.13 0.00 -1.26 -5.18 121.76 120.66 2k8p s ALA 175 Ca -0.07 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.00 2k8p s ALA 175 Cb -0.14 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2k8p s ALA 175 CO -0.01 -0.39 0.16 0.50 0.00 0.00 0.00 175.76 176.01 2k8p s ARG 176 N -3.98 1.31 0.32 0.00 3.52 -1.26 -5.18 118.95 113.69 2k8p s ARG 176 Ca 0.36 -1.71 0.04 0.00 -0.13 0.00 0.00 55.73 54.29 2k8p s ARG 176 Cb 0.08 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.73 2k8p s ARG 176 CO 0.13 -0.44 0.13 0.45 -0.81 0.00 0.00 175.30 174.76 2k8p n SER 177 N -0.53 0.96 -1.17 -2.12 2.88 -1.26 -5.18 113.62 107.20 2k8p n SER 177 Ca 0.03 -2.74 -0.00 0.00 -1.33 0.00 0.00 58.87 54.82 2k8p n SER 177 Cb 0.65 0.89 0.00 0.00 -0.75 0.00 0.00 64.21 65.00 2k8p n SER 177 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k8p n ALA 178 N -1.42 -0.19 -3.58 -1.46 0.00 -1.26 -5.19 120.51 107.42 2k8p n ALA 178 Ca -0.12 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 2k8p n ALA 178 Cb 0.49 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2k8p n ALA 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2k8p s LYS 179 N -2.01 0.49 -0.30 0.00 -2.85 -1.26 -5.15 119.74 108.66 2k8p s LYS 179 Ca 0.02 -0.04 -0.10 0.00 -1.00 0.00 0.00 55.97 54.85 2k8p s LYS 179 Cb -0.00 0.23 0.18 0.00 -2.06 0.00 0.00 37.83 36.18 2k8p s LYS 179 CO 0.01 -0.18 1.00 0.00 0.10 0.00 0.00 175.35 176.27 2k8p s ALA 180 N -1.87 -3.66 0.12 0.59 0.00 -1.26 -5.18 121.76 110.51 2k8p s ALA 180 Ca 0.04 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.32 2k8p s ALA 180 Cb -0.01 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.45 2k8p s ALA 180 CO -0.04 -1.83 0.25 -1.71 0.00 0.00 0.00 175.76 172.44 2k8p n ASN 181 N 5.27 -0.72 -2.86 0.00 5.15 -1.26 -5.07 115.26 115.78 2k8p n ASN 181 Ca 0.03 -1.49 -0.08 0.00 -0.60 0.00 0.00 54.58 52.44 2k8p n ASN 181 Cb 0.56 1.19 0.01 0.00 -0.53 0.00 0.00 39.78 41.01 2k8p n ASN 181 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2k8p n GLN 182 N -0.17 -2.48 -3.75 1.20 7.27 -1.26 -5.06 117.38 113.13 2k8p n GLN 182 Ca -0.03 2.17 -0.13 0.00 0.07 0.00 0.00 57.00 59.08 2k8p n GLN 182 Cb 0.19 -5.55 -0.10 0.00 2.41 0.00 0.00 30.24 27.19 2k8p n GLN 182 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k8p s ALA 183 N -2.48 -0.87 0.18 1.69 0.00 -1.26 -5.17 121.76 113.84 2k8p s ALA 183 Ca 0.23 0.93 0.06 0.00 0.00 0.00 0.00 51.96 53.18 2k8p s ALA 183 Cb -0.06 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2k8p s ALA 183 CO 0.77 -0.18 -0.11 -1.83 0.00 0.00 0.00 175.76 174.42 2k8p s GLU 184 N 0.02 1.20 0.00 0.00 4.04 -1.26 -5.05 118.70 117.65 2k8p s GLU 184 Ca -0.01 -1.53 0.05 0.00 0.04 0.00 0.00 54.97 53.51 2k8p s GLU 184 Cb -0.03 -0.82 0.08 0.00 0.02 0.00 0.00 34.13 33.38 2k8p s GLU 184 CO 0.01 0.10 0.95 -0.11 -1.84 0.00 0.00 175.26 174.37 2k8p n LEU 185 N -0.30 -0.41 -4.65 1.83 7.94 -1.26 -5.13 117.00 115.02 2k8p n LEU 185 Ca -0.09 -1.78 -0.39 0.00 -1.11 0.00 0.00 56.01 52.64 2k8p n LEU 185 Cb 0.61 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.60 2k8p n LEU 185 CO 0.34 1.17 0.69 1.21 -1.11 0.00 0.00 177.39 179.68 2k8p n GLU 186 N 0.09 1.29 -3.66 1.96 2.13 -1.26 -5.02 120.64 116.18 2k8p n GLU 186 Ca -0.16 0.48 -0.14 0.00 0.66 0.00 0.00 57.16 58.00 2k8p n GLU 186 Cb 0.75 -2.25 -0.08 0.00 0.27 0.00 0.00 31.44 30.13 2k8p n GLU 186 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2k8p s ASN 187 N -0.97 -0.61 0.13 4.31 2.47 -1.26 -5.18 114.94 113.83 2k8p s ASN 187 Ca 0.70 1.13 -0.06 0.00 0.42 0.00 0.00 52.86 55.06 2k8p s ASN 187 Cb -0.46 1.14 -0.02 0.00 -1.45 0.00 0.00 41.25 40.47 2k8p s ASN 187 CO 0.51 -0.25 0.17 0.00 -3.72 0.00 0.00 177.10 173.82 2k8p s ALA 188 N 0.15 0.25 -2.39 1.71 0.00 -1.26 -5.37 121.76 114.85 2k8p s ALA 188 Ca -0.01 -1.04 0.29 0.00 0.00 0.00 0.00 51.96 51.20 2k8p s ALA 188 Cb -0.04 0.75 1.23 0.00 0.00 0.00 0.00 23.12 25.06 2k8p s ALA 188 CO 0.02 -0.55 1.85 0.98 0.00 0.00 0.00 175.76 178.05