#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 -3.47 -4.40 1.61 7.02 -1.26 -5.06 117.44 111.89 2k8p n TRP 2 Ca 0.00 1.41 -0.20 0.00 -1.02 0.00 0.00 57.50 57.69 2k8p n TRP 2 Cb 0.00 -4.04 -0.10 0.00 -2.42 0.00 0.00 31.31 24.75 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 -2.49 1.47 0.12 -0.99 -0.21 -1.26 -5.16 119.66 111.15 2k8p s GLN 3 Ca 0.22 -1.72 -0.25 0.00 0.02 0.00 0.00 55.36 53.64 2k8p s GLN 3 Cb -0.06 -1.13 0.08 0.00 1.00 0.00 0.00 33.01 32.90 2k8p s GLN 3 CO 0.76 0.09 1.08 0.00 -2.12 0.00 0.00 175.29 175.09 2k8p s ALA 4 N -3.01 -1.81 0.27 6.09 0.00 -1.26 -5.19 121.76 116.85 2k8p s ALA 4 Ca 0.27 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.28 2k8p s ALA 4 Cb 0.02 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 2k8p s ALA 4 CO 0.10 -1.07 0.15 1.97 0.00 0.00 0.00 175.76 176.91 2k8p n PHE 5 N -0.62 -0.19 -3.78 0.00 -1.74 -1.26 -5.16 117.46 104.71 2k8p n PHE 5 Ca -0.04 -1.92 -0.23 0.00 -0.56 0.00 0.00 57.45 54.69 2k8p n PHE 5 Cb 0.60 0.09 -0.18 0.00 1.52 0.00 0.00 39.48 41.52 2k8p n PHE 5 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2k8p s LYS 6 N -3.04 0.66 -0.11 3.97 3.01 -1.26 -5.13 119.74 117.84 2k8p s LYS 6 Ca 0.21 0.09 -0.08 0.00 -1.01 0.00 0.00 55.97 55.17 2k8p s LYS 6 Cb 0.01 -1.01 0.04 0.00 -1.01 0.00 0.00 37.83 35.86 2k8p s LYS 6 CO 0.15 -0.30 0.28 1.21 0.51 0.00 0.00 175.35 177.19 2k8p s ASN 7 N 1.95 -0.30 0.20 2.83 2.47 -1.26 -5.16 114.94 115.67 2k8p s ASN 7 Ca 0.05 0.57 -0.06 0.00 0.42 0.00 0.00 52.86 53.84 2k8p s ASN 7 Cb -0.12 0.53 0.02 0.00 -1.45 0.00 0.00 41.25 40.23 2k8p s ASN 7 CO -0.05 -0.13 0.36 0.47 -3.72 0.00 0.00 177.10 174.03 2k8p n ASP 8 N 3.48 -1.04 -2.72 -4.21 8.00 -1.26 -5.18 116.55 113.62 2k8p n ASP 8 Ca -0.18 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.44 2k8p n ASP 8 Cb 0.56 1.78 0.00 0.00 -0.02 0.00 0.00 41.12 43.44 2k8p n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k8p n ALA 9 N -1.75 0.00 -3.02 2.24 0.00 -1.26 -4.38 120.51 112.34 2k8p n ALA 9 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 2k8p n ALA 9 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.75 2k8p n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k8p n THR 10 N -0.72 -0.81 -0.55 0.00 -2.24 -1.26 -4.92 114.28 103.78 2k8p n THR 10 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2k8p n THR 10 Cb 0.00 -1.69 0.28 0.00 -2.10 0.00 0.00 70.33 66.81 2k8p n THR 10 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k8p s GLU 11 N -5.64 -2.62 -0.77 -0.78 0.41 -1.26 -4.93 118.70 103.11 2k8p s GLU 11 Ca 0.25 0.05 -0.18 0.00 -0.41 0.00 0.00 54.97 54.68 2k8p s GLU 11 Cb -0.13 -1.42 0.14 0.00 -1.78 0.00 0.00 34.13 30.93 2k8p s GLU 11 CO 0.31 -4.65 0.90 0.42 -0.49 0.00 0.00 175.26 171.74 2k8p s ILE 12 N -2.46 4.92 -0.66 -1.63 -1.09 -1.26 -4.93 121.20 114.09 2k8p s ILE 12 Ca 0.69 -1.49 0.06 0.00 -2.23 0.00 0.00 60.65 57.69 2k8p s ILE 12 Cb -0.12 -4.61 0.23 0.00 -1.58 0.00 0.00 42.46 36.38 2k8p s ILE 12 CO 0.57 -1.27 0.68 -0.38 -1.23 0.00 0.00 174.94 173.31 2k8p n ILE 13 N 5.21 2.16 -1.97 2.92 -0.00 -1.26 -5.09 119.36 121.33 2k8p n ILE 13 Ca 0.08 -5.13 -0.34 0.00 -0.00 0.00 0.00 62.75 57.37 2k8p n ILE 13 Cb 0.46 -2.12 0.03 0.00 -0.00 0.00 0.00 39.64 38.01 2k8p n ILE 13 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2k8p s PRO 14 N -2.21 3.04 -0.30 0.38 0.04 -1.26 -5.05 135.00 129.65 2k8p s PRO 14 Ca 0.36 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 2k8p s PRO 14 Cb 0.10 -1.98 0.18 0.00 0.04 0.00 0.00 34.50 32.85 2k8p s PRO 14 CO -0.05 -1.07 1.06 -2.00 0.04 0.00 0.00 177.00 174.98 2k8p s GLU 15 N -3.76 0.14 1.09 4.56 2.12 -1.26 -5.17 118.70 116.43 2k8p s GLU 15 Ca 0.69 0.17 -0.13 0.00 0.36 0.00 0.00 54.97 56.07 2k8p s GLU 15 Cb -0.22 0.09 0.22 0.00 0.26 0.00 0.00 34.13 34.48 2k8p s GLU 15 CO 0.35 -0.23 0.92 1.28 -0.54 0.00 0.00 175.26 177.03 2k8p n LEU 16 N 5.22 -0.22 0.00 2.70 4.77 -1.26 -5.03 117.00 123.17 2k8p n LEU 16 Ca 0.04 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2k8p n LEU 16 Cb 0.57 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2k8p n LEU 16 CO -0.15 -3.00 0.00 0.61 -1.33 0.00 0.00 177.39 173.52 2k8p n GLY 17 N 0.95 -2.06 2.24 -0.72 0.00 -1.26 -5.18 105.19 99.17 2k8p n GLY 17 Ca 0.05 1.05 -0.14 0.00 0.00 0.00 0.00 46.02 46.98 2k8p n GLY 17 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k8p n GLU 18 N 0.00 -0.00 -3.39 1.61 0.28 -1.26 -5.07 120.64 112.80 2k8p n GLU 18 Ca 0.00 -1.49 -0.26 0.00 -0.16 0.00 0.00 57.16 55.25 2k8p n GLU 18 Cb 0.00 -0.47 -0.09 0.00 1.43 0.00 0.00 31.44 32.31 2k8p n GLU 18 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2k8p n TYR 19 N -2.41 1.25 -2.26 -1.84 4.02 -1.26 -5.11 117.16 109.55 2k8p n TYR 19 Ca 0.10 -3.80 -0.37 0.00 -0.01 0.00 0.00 57.90 53.81 2k8p n TYR 19 Cb 0.34 -0.34 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 2k8p n TYR 19 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2k8p s PRO 20 N -1.40 3.82 0.27 -0.72 0.04 -1.26 -5.05 135.00 130.71 2k8p s PRO 20 Ca 0.35 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.23 2k8p s PRO 20 Cb 0.11 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 2k8p s PRO 20 CO -0.10 -0.51 0.41 -1.21 0.04 0.00 0.00 177.00 175.63 2k8p s GLU 21 N -2.60 3.42 0.96 4.56 2.02 -1.26 -5.11 118.70 120.69 2k8p s GLU 21 Ca 0.62 -0.70 -0.12 0.00 0.02 0.00 0.00 54.97 54.79 2k8p s GLU 21 Cb -0.29 -2.84 0.17 0.00 0.10 0.00 0.00 34.13 31.26 2k8p s GLU 21 CO 0.36 0.34 1.09 -1.25 0.02 0.00 0.00 175.26 175.82 2k8p s PRO 22 N -4.07 0.74 0.96 0.39 0.04 -1.26 -5.04 135.00 126.76 2k8p s PRO 22 Ca 0.36 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 2k8p s PRO 22 Cb -0.09 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.85 2k8p s PRO 22 CO 0.31 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.64 2k8p s PRO 23 N -4.95 0.74 0.48 0.56 0.04 -1.26 -5.01 135.00 125.60 2k8p s PRO 23 Ca 0.65 0.64 -0.22 0.00 0.04 0.00 0.00 61.00 62.10 2k8p s PRO 23 Cb -0.18 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2k8p s PRO 23 CO 0.57 -2.55 1.16 -1.25 0.04 0.00 0.00 177.00 174.97 2k8p s PRO 24 N -4.95 3.68 -0.56 0.56 0.04 -1.26 -5.02 135.00 127.48 2k8p s PRO 24 Ca 0.65 1.74 0.04 0.00 0.04 0.00 0.00 61.00 63.47 2k8p s PRO 24 Cb -0.18 -2.32 0.16 0.00 0.04 0.00 0.00 34.50 32.20 2k8p s PRO 24 CO 0.57 -0.61 0.40 -1.21 0.04 0.00 0.00 177.00 176.19 2k8p s GLU 25 N -2.82 1.76 0.00 4.56 2.02 -1.26 -5.07 118.70 117.88 2k8p s GLU 25 Ca 0.65 -2.72 0.00 0.00 0.02 0.00 0.00 54.97 52.92 2k8p s GLU 25 Cb -0.28 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.37 2k8p s GLU 25 CO 0.33 -1.30 0.00 1.28 0.02 0.00 0.00 175.26 175.59 2k8p n LEU 26 N 2.52 0.00 -3.59 1.80 4.77 -1.26 -5.19 117.00 116.05 2k8p n LEU 26 Ca 0.21 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 2k8p n LEU 26 Cb 0.39 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 2k8p n LEU 26 CO 0.20 0.00 0.23 -0.70 -1.33 0.00 0.00 177.39 175.79 2k8p s GLU 27 N 0.03 1.08 0.62 3.23 2.12 -1.26 -5.18 118.70 119.34 2k8p s GLU 27 Ca 0.00 -0.52 -0.10 0.00 0.36 0.00 0.00 54.97 54.71 2k8p s GLU 27 Cb 0.00 0.48 0.14 0.00 0.26 0.00 0.00 34.13 35.02 2k8p s GLU 27 CO 0.00 -0.42 0.84 -1.71 -0.54 0.00 0.00 175.26 173.43 2k8p n ASN 28 N -0.03 0.12 -4.49 -1.70 2.85 -1.26 -5.10 115.26 105.64 2k8p n ASN 28 Ca -0.17 -1.33 -0.27 0.00 -0.11 0.00 0.00 54.58 52.70 2k8p n ASN 28 Cb 0.63 -0.64 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 2k8p n ASN 28 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2k8p s ASN 29 N -4.08 3.83 0.21 1.20 -0.87 -1.26 -5.15 114.94 108.83 2k8p s ASN 29 Ca 0.48 -0.72 0.01 0.00 -1.57 0.00 0.00 52.86 51.06 2k8p s ASN 29 Cb -0.01 -0.48 -0.00 0.00 -0.02 0.00 0.00 41.25 40.73 2k8p s ASN 29 CO 0.33 0.12 0.03 1.17 -2.57 0.00 0.00 177.10 176.18 2k8p n LYS 30 N 0.21 1.18 -3.57 -0.60 3.00 -1.26 -5.17 118.16 111.94 2k8p n LYS 30 Ca -0.12 -1.62 -0.15 0.00 -0.00 0.00 0.00 58.31 56.42 2k8p n LYS 30 Cb 0.55 0.60 -0.06 0.00 0.00 0.00 0.00 35.03 36.13 2k8p n LYS 30 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2k8p s THR 31 N -1.99 0.00 0.52 3.15 -1.32 -1.26 -5.17 115.64 109.58 2k8p s THR 31 Ca 0.04 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.40 2k8p s THR 31 Cb 0.00 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.94 2k8p s THR 31 CO 0.03 0.00 0.93 0.00 -2.21 0.00 0.00 174.62 173.37 2k8p s MET 32 N -0.56 3.74 0.33 7.08 0.23 -1.26 -5.09 119.30 123.76 2k8p s MET 32 Ca -0.05 0.68 0.07 0.00 -1.03 0.00 0.00 55.69 55.36 2k8p s MET 32 Cb -0.02 -2.20 -0.03 0.00 -1.53 0.00 0.00 34.83 31.05 2k8p s MET 32 CO 0.04 -0.32 0.26 -0.80 -2.03 0.00 0.00 175.02 172.18 2k8p s ASN 33 N -3.62 1.70 -0.01 -1.18 0.02 -1.26 -5.17 114.94 105.42 2k8p s ASN 33 Ca 0.54 -1.74 0.07 0.00 -1.02 0.00 0.00 52.86 50.71 2k8p s ASN 33 Cb -0.10 0.55 -0.02 0.00 0.02 0.00 0.00 41.25 41.70 2k8p s ASN 33 CO 0.41 -1.05 -0.23 -0.60 0.02 0.00 0.00 177.10 175.66 2k8p s ARG 34 N -3.49 1.80 0.31 -0.60 3.52 -1.26 -5.14 118.95 114.09 2k8p s ARG 34 Ca 0.39 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 2k8p s ARG 34 Cb 0.03 -1.76 -0.04 0.00 -1.56 0.00 0.00 34.95 31.62 2k8p s ARG 34 CO 0.26 0.48 0.52 0.00 -0.81 0.00 0.00 175.30 175.75 2k8p s ALA 35 N -0.55 3.72 0.46 6.12 0.00 -1.26 -5.12 121.76 125.13 2k8p s ALA 35 Ca 0.09 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2k8p s ALA 35 Cb -0.09 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2k8p s ALA 35 CO -0.01 0.09 0.08 -1.21 0.00 0.00 0.00 175.76 174.71 2k8p s GLU 36 N -4.07 2.06 0.77 0.00 2.02 -1.26 -5.17 118.70 113.05 2k8p s GLU 36 Ca 0.40 -2.29 -0.02 0.00 0.02 0.00 0.00 54.97 53.08 2k8p s GLU 36 Cb -0.10 -1.00 0.15 0.00 0.10 0.00 0.00 34.13 33.28 2k8p s GLU 36 CO 0.34 -0.44 1.05 -0.80 0.02 0.00 0.00 175.26 175.43 2k8p s ASN 37 N -3.73 4.08 0.00 -0.19 -0.87 -1.26 -5.13 114.94 107.84 2k8p s ASN 37 Ca 0.15 -0.46 0.00 0.00 -1.57 0.00 0.00 52.86 50.99 2k8p s ASN 37 Cb 0.02 0.21 0.00 0.00 -0.02 0.00 0.00 41.25 41.46 2k8p s ASN 37 CO 0.09 -2.06 0.00 0.61 -2.57 0.00 0.00 177.10 173.17 2k8p n GLY 38 N -2.97 3.21 0.00 0.66 0.00 -1.26 -5.14 105.19 99.69 2k8p n GLY 38 Ca 0.17 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2k8p n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8p n GLY 39 N 5.00 1.31 3.74 -0.02 0.00 -1.26 -5.18 105.19 108.78 2k8p n GLY 39 Ca 0.00 0.42 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 2k8p n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k8p s ARG 40 N -0.07 2.61 0.96 1.61 3.00 -1.26 -5.13 118.95 120.68 2k8p s ARG 40 Ca 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 55.73 54.35 2k8p s ARG 40 Cb 0.00 -2.36 0.17 0.00 0.00 0.00 0.00 34.95 32.75 2k8p s ARG 40 CO 0.00 0.35 1.09 -1.25 0.00 0.00 0.00 175.30 175.49 2k8p s PRO 41 N -3.78 0.73 1.20 3.54 0.04 -1.26 -5.05 135.00 130.42 2k8p s PRO 41 Ca 0.33 0.63 -0.19 0.00 0.04 0.00 0.00 61.00 61.81 2k8p s PRO 41 Cb -0.07 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 33.00 2k8p s PRO 41 CO 0.23 -2.56 1.11 -1.25 0.04 0.00 0.00 177.00 174.57 2k8p s PRO 42 N -4.95 -1.22 0.51 0.56 0.04 -1.26 -5.08 135.00 123.60 2k8p s PRO 42 Ca 0.65 -0.08 0.08 0.00 0.04 0.00 0.00 61.00 61.69 2k8p s PRO 42 Cb -0.18 -1.60 0.05 0.00 0.04 0.00 0.00 34.50 32.81 2k8p s PRO 42 CO 0.57 -3.71 0.63 -1.01 0.04 0.00 0.00 177.00 173.53 2k8p s HIS 43 N -3.02 1.95 0.13 0.56 3.76 -1.26 -5.14 115.29 112.27 2k8p s HIS 43 Ca 0.71 -0.63 0.05 0.00 -0.15 0.00 0.00 55.06 55.04 2k8p s HIS 43 Cb -0.10 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 2k8p s HIS 43 CO 0.56 -0.75 -0.11 -3.38 -0.85 0.00 0.00 174.74 170.21 2k8p s HIS 44 N -2.58 1.26 1.01 1.40 -3.43 -1.26 -5.16 115.29 106.53 2k8p s HIS 44 Ca 0.55 -0.67 -0.12 0.00 -0.80 0.00 0.00 55.06 54.01 2k8p s HIS 44 Cb -0.06 -0.65 0.19 0.00 -1.43 0.00 0.00 32.58 30.63 2k8p s HIS 44 CO 0.34 0.09 1.09 -1.25 -2.00 0.00 0.00 174.74 173.01 2k8p s PRO 45 N -3.19 0.36 0.09 -0.38 0.04 -1.26 -5.07 135.00 125.58 2k8p s PRO 45 Ca 0.12 0.49 0.08 0.00 0.04 0.00 0.00 61.00 61.73 2k8p s PRO 45 Cb -0.01 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2k8p s PRO 45 CO 0.01 -2.77 -0.18 -0.06 0.04 0.00 0.00 177.00 174.04 2k8p s PHE 46 N -2.97 2.54 1.20 0.56 0.08 -1.26 -5.13 117.98 113.00 2k8p s PHE 46 Ca 0.65 -0.26 -0.17 0.00 0.12 0.00 0.00 56.93 57.27 2k8p s PHE 46 Cb -0.19 -1.39 0.28 0.00 -0.57 0.00 0.00 43.02 41.16 2k8p s PHE 46 CO 0.58 0.33 1.06 -1.21 -0.10 0.00 0.00 175.22 175.88 2k8p s GLU 47 N -1.87 -1.17 -0.58 0.44 2.02 -1.26 -4.99 118.70 111.29 2k8p s GLU 47 Ca 0.17 0.22 -0.09 0.00 0.02 0.00 0.00 54.97 55.28 2k8p s GLU 47 Cb -0.11 -1.58 0.15 0.00 0.10 0.00 0.00 34.13 32.70 2k8p s GLU 47 CO 0.08 -3.73 0.46 0.99 0.02 0.00 0.00 175.26 173.08 2k8p s THR 48 N -2.79 4.47 0.04 3.63 2.01 -1.26 -5.07 115.64 116.67 2k8p s THR 48 Ca 0.69 -2.16 -0.00 0.00 0.31 0.00 0.00 61.69 60.53 2k8p s THR 48 Cb -0.15 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2k8p s THR 48 CO 0.58 -0.86 0.16 -0.54 -0.69 0.00 0.00 174.62 173.27 2k8p s LYS 49 N 0.83 3.28 0.03 4.92 1.02 -1.26 -5.12 119.74 123.44 2k8p s LYS 49 Ca 0.10 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.64 2k8p s LYS 49 Cb -0.22 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 2k8p s LYS 49 CO -0.03 0.62 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.47 2k8p s ASP 50 N -2.23 0.52 0.00 2.83 1.11 -1.26 -5.16 116.67 112.48 2k8p s ASP 50 Ca 0.30 -0.49 -0.03 0.00 0.18 0.00 0.00 52.55 52.52 2k8p s ASP 50 Cb -0.13 0.06 -0.01 0.00 1.07 0.00 0.00 42.92 43.92 2k8p s ASP 50 CO 0.22 -0.23 0.05 -0.69 1.18 0.00 0.00 175.17 175.70 2k8p s VAL 51 N -1.31 0.07 -0.29 -1.27 1.01 -1.26 -5.15 120.40 112.20 2k8p s VAL 51 Ca -0.12 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 2k8p s VAL 51 Cb -0.09 -0.26 0.12 0.00 0.00 0.00 0.00 36.38 36.15 2k8p s VAL 51 CO -0.00 -0.32 0.80 -0.55 0.00 0.00 0.00 175.10 175.03 2k8p s SER 52 N -0.99 -0.84 0.05 3.32 0.15 -1.26 -4.92 113.70 109.21 2k8p s SER 52 Ca -0.11 1.25 0.01 0.00 0.70 0.00 0.00 55.95 57.79 2k8p s SER 52 Cb -0.06 1.65 -0.00 0.00 -1.71 0.00 0.00 66.02 65.89 2k8p s SER 52 CO 0.00 -0.19 0.02 1.21 1.20 0.00 0.00 173.24 175.49 2k8p n GLU 53 N 4.60 0.75 -0.25 5.44 2.13 -1.26 -5.05 120.64 127.00 2k8p n GLU 53 Ca -0.16 -0.48 -0.05 0.00 0.66 0.00 0.00 57.16 57.14 2k8p n GLU 53 Cb 0.55 0.28 0.11 0.00 0.27 0.00 0.00 31.44 32.65 2k8p n GLU 53 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 2k8p h TYR 54 N 1.10 1.11 -1.81 4.31 0.05 -2.01 -3.44 116.97 116.28 2k8p h TYR 54 Ca -0.04 -0.08 -0.14 0.00 0.05 0.00 0.00 58.73 58.52 2k8p h TYR 54 Cb 0.17 -0.33 0.08 0.00 1.01 0.00 0.00 36.73 37.66 2k8p h TYR 54 CO 0.00 0.85 -0.05 -1.13 -1.05 0.00 0.00 178.16 176.78 2k8p n SER 55 N -4.28 -2.63 -4.80 3.88 3.41 -1.26 -4.63 113.62 103.30 2k8p n SER 55 Ca 0.06 -0.40 -0.32 0.00 -0.26 0.00 0.00 58.87 57.95 2k8p n SER 55 Cb 0.19 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 63.77 2k8p n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k8p s ARG 57 N -4.19 -1.13 -0.20 0.00 1.70 -0.12 -4.86 118.95 110.16 2k8p s ARG 57 Ca 0.63 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.69 2k8p s ARG 57 Cb -0.16 -1.62 0.04 0.00 -0.57 0.00 0.00 34.95 32.64 2k8p s ARG 57 CO 0.39 -3.62 -0.11 -1.21 -1.08 0.00 0.00 175.30 169.67 2k8p s GLU 58 N -5.55 2.05 -0.05 3.89 8.01 -1.26 -3.11 118.70 122.68 2k8p s GLU 58 Ca 0.72 -0.82 -0.30 0.00 0.01 0.00 0.00 54.97 54.58 2k8p s GLU 58 Cb -0.07 -2.40 -0.03 0.00 -4.31 0.00 0.00 34.13 27.32 2k8p s GLU 58 CO 0.55 -0.41 1.11 -0.51 0.01 0.00 0.00 175.26 176.01 2k8p s LEU 59 N 1.40 4.29 -0.26 1.80 1.43 -0.37 -4.85 118.68 122.12 2k8p s LEU 59 Ca -0.01 1.73 -0.03 0.00 -1.03 0.00 0.00 54.13 54.79 2k8p s LEU 59 Cb -0.16 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.52 2k8p s LEU 59 CO -0.08 -0.48 -0.01 -1.00 0.23 0.00 0.00 176.35 175.00 2k8p s HIS 60 N 1.82 3.10 0.17 0.29 3.76 -1.26 -0.12 115.29 123.05 2k8p s HIS 60 Ca 0.53 -1.38 0.10 0.00 -0.15 0.00 0.00 55.06 54.16 2k8p s HIS 60 Cb -0.23 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 2k8p s HIS 60 CO 0.23 -0.68 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.16 2k8p s PHE 61 N 1.38 2.02 0.20 1.40 0.08 -0.37 -4.97 117.98 117.71 2k8p s PHE 61 Ca 0.01 -0.42 0.08 0.00 0.12 0.00 0.00 56.93 56.72 2k8p s PHE 61 Cb -0.17 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 2k8p s PHE 61 CO -0.02 0.39 -0.04 0.99 -0.10 0.00 0.00 175.22 176.44 2k8p s THR 62 N -1.79 3.45 -0.22 0.64 2.01 -1.26 -0.14 115.64 118.33 2k8p s THR 62 Ca 0.17 -1.62 -0.28 0.00 0.31 0.00 0.00 61.69 60.26 2k8p s THR 62 Cb -0.07 -2.75 0.14 0.00 0.01 0.00 0.00 72.50 69.83 2k8p s THR 62 CO 0.08 -0.17 1.08 -0.13 -0.69 0.00 0.00 174.62 174.79 2k8p s ARG 63 N -3.06 0.47 -0.23 4.92 1.81 -1.00 -4.96 118.95 116.91 2k8p s ARG 63 Ca 0.27 0.26 -0.19 0.00 -1.72 0.00 0.00 55.73 54.35 2k8p s ARG 63 Cb -0.08 0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.62 2k8p s ARG 63 CO 0.17 -0.12 0.56 0.71 -0.68 0.00 0.00 175.30 175.95 2k8p s TYR 64 N -0.63 3.31 0.08 -0.53 1.51 -1.26 -0.89 117.35 118.94 2k8p s TYR 64 Ca 0.01 0.76 -0.14 0.00 -1.01 0.00 0.00 57.07 56.69 2k8p s TYR 64 Cb -0.02 -2.75 -0.06 0.00 -0.11 0.00 0.00 41.96 39.02 2k8p s TYR 64 CO -0.03 -0.23 0.48 0.54 -1.11 0.00 0.00 175.55 175.20 2k8p s VAL 65 N 2.13 4.93 -0.15 0.71 0.11 -1.26 -5.00 120.40 121.87 2k8p s VAL 65 Ca 0.24 0.82 -0.10 0.00 -2.93 0.00 0.00 61.98 60.01 2k8p s VAL 65 Cb -0.16 -3.74 0.05 0.00 -1.53 0.00 0.00 36.38 31.01 2k8p s VAL 65 CO 0.09 0.41 0.38 0.42 -3.33 0.00 0.00 175.10 173.07 2k8p s THR 66 N -1.28 -0.02 -0.27 5.04 -4.23 -1.26 -1.68 115.64 111.94 2k8p s THR 66 Ca 0.31 0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.85 2k8p s THR 66 Cb -0.16 -0.56 0.10 0.00 1.34 0.00 0.00 72.50 73.23 2k8p s THR 66 CO 0.17 0.03 0.16 -0.62 -0.54 0.00 0.00 174.62 173.82 2k8p s ASP 67 N 0.92 3.00 0.00 3.99 -1.08 -1.25 -5.03 116.67 117.22 2k8p s ASP 67 Ca -0.06 -1.08 0.00 0.00 -0.52 0.00 0.00 52.55 50.89 2k8p s ASP 67 Cb -0.06 -0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.24 2k8p s ASP 67 CO -0.07 -0.42 0.00 0.61 0.52 0.00 0.00 175.17 175.81 2k8p n GLY 68 N 5.27 -1.73 0.00 2.66 0.00 -1.26 -4.34 105.19 105.78 2k8p n GLY 68 Ca -0.05 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 0.15 -3.29 1.61 -0.04 -1.26 -4.75 135.00 127.43 2k8p n PRO 69 Ca 0.00 0.17 -0.20 0.00 -0.04 0.00 0.00 63.50 63.44 2k8p n PRO 69 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -4.33 0.55 0.36 0.00 3.00 -0.09 -3.91 118.95 114.53 2k8p s ARG 71 Ca 0.52 0.13 -0.28 0.00 0.00 0.00 0.00 55.73 56.11 2k8p s ARG 71 Cb -0.06 0.25 -0.12 0.00 0.00 0.00 0.00 34.95 35.02 2k8p s ARG 71 CO 0.31 -0.12 1.30 -1.13 0.00 0.00 0.00 175.30 175.66 2k8p n SER 72 N 2.05 2.79 0.17 0.23 3.41 -0.68 -0.32 113.62 121.27 2k8p n SER 72 Ca -0.17 1.19 0.05 0.00 -0.26 0.00 0.00 58.87 59.67 2k8p n SER 72 Cb 0.57 -1.50 0.16 0.00 -0.26 0.00 0.00 64.21 63.18 2k8p n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k8p h ALA 73 N 2.49 0.80 -2.34 7.33 0.00 -1.80 -3.45 119.26 122.29 2k8p h ALA 73 Ca -0.47 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 53.95 2k8p h ALA 73 Cb 1.28 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 2k8p h ALA 73 CO 0.62 0.51 -0.59 0.15 0.00 0.00 0.00 179.25 179.95 2k8p s LYS 74 N -3.19 0.72 0.89 0.00 1.02 -1.26 -5.12 119.74 112.79 2k8p s LYS 74 Ca 0.03 -1.17 -0.12 0.00 0.02 0.00 0.00 55.97 54.73 2k8p s LYS 74 Cb 0.08 0.25 0.13 0.00 -0.52 0.00 0.00 37.83 37.77 2k8p s LYS 74 CO 0.71 -0.17 1.09 -1.25 -0.92 0.00 0.00 175.35 174.81 2k8p s PRO 75 N -3.92 1.28 0.05 -1.68 0.04 -1.26 -4.68 135.00 124.84 2k8p s PRO 75 Ca 0.08 0.82 0.09 0.00 0.04 0.00 0.00 61.00 62.03 2k8p s PRO 75 Cb 0.07 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 2k8p s PRO 75 CO -0.09 -2.22 -0.24 0.54 0.04 0.00 0.00 177.00 175.02 2k8p s VAL 76 N -2.94 2.31 -0.43 -0.36 0.11 -0.07 -4.93 120.40 114.10 2k8p s VAL 76 Ca 0.63 -1.37 -0.19 0.00 -2.93 0.00 0.00 61.98 58.12 2k8p s VAL 76 Cb -0.18 -1.93 0.02 0.00 -1.53 0.00 0.00 36.38 32.77 2k8p s VAL 76 CO 0.57 0.34 0.56 -0.89 -3.33 0.00 0.00 175.10 172.34 2k8p s THR 77 N -0.85 4.94 -0.21 5.04 2.01 -1.26 -2.37 115.64 122.93 2k8p s THR 77 Ca 0.13 -0.07 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 2k8p s THR 77 Cb -0.10 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 2k8p s THR 77 CO 0.03 -0.52 0.13 -0.70 -0.69 0.00 0.00 174.62 172.87 2k8p s GLU 78 N 2.53 4.11 0.07 4.92 2.12 0.80 -4.96 118.70 128.30 2k8p s GLU 78 Ca 0.18 -0.26 -0.07 0.00 0.36 0.00 0.00 54.97 55.19 2k8p s GLU 78 Cb -0.15 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.76 2k8p s GLU 78 CO 0.17 0.21 0.34 -1.17 -0.54 0.00 0.00 175.26 174.27 2k8p s LEU 79 N 0.60 4.34 0.06 2.70 0.20 -1.26 -1.24 118.68 124.07 2k8p s LEU 79 Ca 0.07 0.63 0.02 0.00 0.69 0.00 0.00 54.13 55.54 2k8p s LEU 79 Cb -0.12 -2.95 -0.03 0.00 -0.43 0.00 0.00 46.19 42.66 2k8p s LEU 79 CO 0.00 0.17 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.47 2k8p s VAL 80 N -1.43 0.63 -0.31 1.68 1.01 0.83 -4.28 120.40 118.53 2k8p s VAL 80 Ca 0.33 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 2k8p s VAL 80 Cb -0.13 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2k8p s VAL 80 CO 0.19 -0.50 0.27 0.00 0.00 0.00 0.00 175.10 175.07 2k8p s SER 82 N 1.72 -0.63 0.00 0.00 1.04 -1.18 -4.96 113.70 109.69 2k8p s SER 82 Ca 0.09 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.27 2k8p s SER 82 Cb -0.16 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2k8p s SER 82 CO 0.11 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2k8p n GLY 83 N 1.05 4.21 3.99 7.32 0.00 -1.26 -0.94 105.19 119.55 2k8p n GLY 83 Ca -0.18 -1.48 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 2k8p n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k8p s GLN 84 N -3.66 2.97 -0.07 1.61 0.74 -1.26 -4.58 119.66 115.41 2k8p s GLN 84 Ca 0.00 -1.00 -0.00 0.00 0.05 0.00 0.00 55.36 54.40 2k8p s GLN 84 Cb 0.00 -2.74 0.03 0.00 1.10 0.00 0.00 33.01 31.39 2k8p s GLN 84 CO 0.00 -0.15 -0.03 0.00 -0.55 0.00 0.00 175.29 174.56 2k8p n GLY 86 N 4.74 -1.14 3.73 0.00 0.00 -1.26 -4.82 105.19 106.44 2k8p n GLY 86 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.60 4.37 -0.30 1.61 0.04 -1.26 -5.00 135.00 132.86 2k8p s PRO 87 Ca 0.00 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 2k8p s PRO 87 Cb 0.00 -3.23 0.19 0.00 0.04 0.00 0.00 34.50 31.51 2k8p s PRO 87 CO 0.00 -0.32 1.25 0.00 0.04 0.00 0.00 177.00 177.97 2k8p s ALA 88 N 0.54 -3.13 0.13 8.56 0.00 -1.26 -5.04 121.76 121.55 2k8p s ALA 88 Ca 0.60 1.85 0.00 0.00 0.00 0.00 0.00 51.96 54.40 2k8p s ALA 88 Cb -0.36 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.54 2k8p s ALA 88 CO 0.35 -0.86 0.00 0.54 0.00 0.00 0.00 175.76 175.78 2k8p n ARG 89 N 4.36 -1.10 -1.67 0.00 1.74 -1.26 -4.68 116.66 114.05 2k8p n ARG 89 Ca -0.08 0.72 -0.48 0.00 -0.77 0.00 0.00 57.85 57.24 2k8p n ARG 89 Cb 0.55 -1.34 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 2k8p n ARG 89 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k8p n LEU 90 N 0.00 3.08 -4.89 0.55 4.77 -1.26 -4.96 117.00 114.28 2k8p n LEU 90 Ca 0.00 1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 56.74 2k8p n LEU 90 Cb 0.25 -1.38 0.01 0.00 -2.33 0.00 0.00 43.42 39.97 2k8p n LEU 90 CO 0.00 -0.27 0.56 -0.76 -1.33 0.00 0.00 177.39 175.59 2k8p s LEU 91 N 2.13 3.44 0.55 2.23 1.02 -1.26 -4.97 118.68 121.81 2k8p s LEU 91 Ca 0.85 1.09 0.34 0.00 0.02 0.00 0.00 54.13 56.43 2k8p s LEU 91 Cb -0.72 -4.07 1.39 0.00 0.02 0.00 0.00 46.19 42.81 2k8p s LEU 91 CO 0.45 -0.74 1.99 1.55 0.02 0.00 0.00 176.35 179.62 2k8p h PRO 92 N -0.02 0.00 -0.95 1.29 0.13 -1.95 -3.09 132.00 127.41 2k8p h PRO 92 Ca -0.46 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.11 2k8p h PRO 92 Cb 1.20 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.91 2k8p h PRO 92 CO 0.62 0.01 -0.75 0.27 -0.23 0.00 0.00 178.00 177.92 2k8p n ASN 93 N -3.11 4.95 -0.01 1.44 0.23 -1.26 -4.57 115.26 112.92 2k8p n ASN 93 Ca 0.00 -3.74 0.00 0.00 -0.53 0.00 0.00 54.58 50.31 2k8p n ASN 93 Cb 0.30 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 2k8p n ASN 93 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k8p n ALA 94 N -0.66 1.11 -1.27 -2.53 0.00 -1.17 -5.14 120.51 110.86 2k8p n ALA 94 Ca 0.43 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k8p n ALA 94 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2k8p n ALA 94 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k8p n ILE 95 N -0.04 -2.88 0.00 0.00 5.41 -1.26 -4.91 119.36 115.68 2k8p n ILE 95 Ca 0.00 1.37 0.00 0.00 1.00 0.00 0.00 62.75 65.12 2k8p n ILE 95 Cb 0.49 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 2k8p n ILE 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2k8p n GLY 96 N -2.03 -0.07 3.55 7.39 0.00 -1.26 -4.82 105.19 107.95 2k8p n GLY 96 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 2k8p n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k8p s ARG 97 N 0.00 0.77 0.00 1.61 3.00 -1.26 -5.18 118.95 117.89 2k8p s ARG 97 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 55.73 55.86 2k8p s ARG 97 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 34.95 35.31 2k8p s ARG 97 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.30 175.46 2k8p n GLY 98 N 0.68 4.41 1.08 -3.53 0.00 -1.26 -5.00 105.19 101.57 2k8p n GLY 98 Ca -0.13 -1.44 0.04 0.00 0.00 0.00 0.00 46.02 44.50 2k8p n GLY 98 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k8p n LYS 99 N -1.90 0.50 -1.50 1.61 2.85 -1.26 -4.81 118.16 113.65 2k8p n LYS 99 Ca 0.00 -2.29 -0.13 0.00 -1.05 0.00 0.00 58.31 54.83 2k8p n LYS 99 Cb 0.00 -0.57 0.09 0.00 -0.65 0.00 0.00 35.03 33.90 2k8p n LYS 99 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2k8p n TRP 100 N -0.09 1.78 0.17 5.58 2.14 -1.26 -4.74 117.44 121.01 2k8p n TRP 100 Ca 0.09 -1.97 0.02 0.00 2.07 0.00 0.00 57.50 57.71 2k8p n TRP 100 Cb 0.95 -0.32 0.34 0.00 -0.81 0.00 0.00 31.31 31.47 2k8p n TRP 100 CO 0.00 0.00 0.00 -1.49 2.07 0.00 0.00 177.69 178.27 2k8p h TRP 101 N 1.75 0.05 -4.26 -2.67 -0.00 -1.99 -3.45 115.95 105.39 2k8p h TRP 101 Ca 0.24 -0.01 -0.51 0.00 -0.00 0.00 0.00 58.89 58.61 2k8p h TRP 101 Cb 1.35 -0.01 0.16 0.00 -0.00 0.00 0.00 29.16 30.65 2k8p h TRP 101 CO 0.83 0.40 0.27 1.03 -0.00 0.00 0.00 178.44 180.97 2k8p s ARG 102 N -4.23 1.64 0.16 0.49 0.52 -1.26 -4.96 118.95 111.31 2k8p s ARG 102 Ca -0.03 1.28 -0.31 0.00 -0.52 0.00 0.00 55.73 56.16 2k8p s ARG 102 Cb 0.14 -1.82 -0.08 0.00 0.52 0.00 0.00 34.95 33.71 2k8p s ARG 102 CO 0.73 -2.11 1.33 -1.25 0.02 0.00 0.00 175.30 174.02 2k8p s PRO 103 N -4.80 4.37 0.00 3.54 0.04 -1.26 -4.64 135.00 132.25 2k8p s PRO 103 Ca 0.64 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2k8p s PRO 103 Cb -0.20 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2k8p s PRO 103 CO 0.57 -0.32 0.00 0.45 0.04 0.00 0.00 177.00 177.74 2k8p n SER 104 N 3.18 0.00 -2.52 6.66 2.88 -1.26 -5.07 113.62 117.49 2k8p n SER 104 Ca 0.08 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.61 2k8p n SER 104 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.48 -0.86 0.18 0.46 0.00 -1.26 -4.95 105.19 98.29 2k8p n GLY 105 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 2k8p n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k8p h PRO 106 N 0.19 0.17 -1.27 1.61 0.13 -1.95 -3.38 132.00 127.51 2k8p h PRO 106 Ca -0.04 -0.09 -0.36 0.00 -0.87 0.00 0.00 66.00 64.64 2k8p h PRO 106 Cb 1.02 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.90 2k8p h PRO 106 CO 0.20 0.61 -0.74 -0.25 -0.23 0.00 0.00 178.00 177.60 2k8p n ASP 107 N -3.98 -1.84 -3.97 1.44 8.00 -1.26 -5.12 116.55 109.82 2k8p n ASP 107 Ca -0.02 -2.85 -0.20 0.00 0.71 0.00 0.00 54.79 52.43 2k8p n ASP 107 Cb 0.51 0.72 -0.16 0.00 -0.02 0.00 0.00 41.12 42.18 2k8p n ASP 107 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2k8p s PHE 108 N 0.19 0.92 -0.06 1.24 0.40 -1.26 -4.71 117.98 114.69 2k8p s PHE 108 Ca 0.32 -0.25 -0.32 0.00 -0.60 0.00 0.00 56.93 56.09 2k8p s PHE 108 Cb 0.11 -0.69 0.12 0.00 0.51 0.00 0.00 43.02 43.07 2k8p s PHE 108 CO -0.15 -0.14 1.22 -0.98 0.70 0.00 0.00 175.22 175.87 2k8p s ARG 109 N 0.41 0.44 -0.19 0.44 3.03 -1.26 -4.98 118.95 116.85 2k8p s ARG 109 Ca -0.06 -0.22 -0.03 0.00 2.03 0.00 0.00 55.73 57.45 2k8p s ARG 109 Cb -0.11 0.17 -0.01 0.00 -1.03 0.00 0.00 34.95 33.97 2k8p s ARG 109 CO 0.01 -0.20 -0.07 0.00 -1.13 0.00 0.00 175.30 173.90 2k8p s ILE 111 N 1.03 4.82 1.18 0.00 -4.36 0.84 -4.93 121.20 119.78 2k8p s ILE 111 Ca 0.00 0.56 -0.19 0.00 -0.26 0.00 0.00 60.65 60.76 2k8p s ILE 111 Cb -0.15 -3.72 0.28 0.00 1.25 0.00 0.00 42.46 40.13 2k8p s ILE 111 CO -0.01 -0.44 1.11 -2.16 0.24 0.00 0.00 174.94 173.68 2k8p s PRO 112 N -3.68 -1.07 0.03 0.37 0.04 -1.26 -1.26 135.00 128.17 2k8p s PRO 112 Ca 0.50 -0.01 -0.00 0.00 0.04 0.00 0.00 61.00 61.53 2k8p s PRO 112 Cb -0.10 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2k8p s PRO 112 CO 0.29 -3.62 0.04 -3.47 0.04 0.00 0.00 177.00 170.28 2k8p n ASP 113 N -4.71 -0.10 -4.55 6.66 -0.08 -1.23 -4.09 116.55 108.46 2k8p n ASP 113 Ca 0.12 -1.14 -0.42 0.00 -1.51 0.00 0.00 54.79 51.84 2k8p n ASP 113 Cb 0.59 0.19 0.01 0.00 2.34 0.00 0.00 41.12 44.26 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 -0.04 1.02 -3.34 -0.67 0.63 -1.26 -4.62 116.66 108.38 2k8p n ARG 114 Ca 0.00 0.37 -0.21 0.00 -0.92 0.00 0.00 57.85 57.09 2k8p n ARG 114 Cb 0.04 -1.82 0.02 0.00 0.45 0.00 0.00 32.46 31.16 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 -1.32 1.98 -0.12 -0.14 1.51 -1.26 -1.18 117.35 116.82 2k8p s TYR 115 Ca 0.63 -0.64 -0.04 0.00 -1.01 0.00 0.00 57.07 56.01 2k8p s TYR 115 Cb -0.59 -2.16 0.05 0.00 -0.11 0.00 0.00 41.96 39.14 2k8p s TYR 115 CO 0.57 -0.65 0.08 1.03 -1.11 0.00 0.00 175.55 175.47 2k8p s ARG 116 N -4.41 0.03 -0.34 -0.62 1.81 0.96 -4.52 118.95 111.87 2k8p s ARG 116 Ca 0.51 0.08 -0.21 0.00 -1.72 0.00 0.00 55.73 54.39 2k8p s ARG 116 Cb -0.05 -1.35 0.00 0.00 -0.45 0.00 0.00 34.95 33.10 2k8p s ARG 116 CO 0.31 -0.54 0.69 0.00 -0.68 0.00 0.00 175.30 175.08 2k8p s ALA 117 N 2.14 3.48 -0.13 2.13 0.00 -1.26 -2.36 121.76 125.76 2k8p s ALA 117 Ca 0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 2k8p s ALA 117 Cb -0.15 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2k8p s ALA 117 CO -0.07 -1.27 -0.09 -1.14 0.00 0.00 0.00 175.76 173.19 2k8p s GLN 118 N 2.80 3.43 -0.24 0.00 0.74 -0.54 -4.90 119.66 120.95 2k8p s GLN 118 Ca 0.27 -0.60 -0.19 0.00 0.05 0.00 0.00 55.36 54.89 2k8p s GLN 118 Cb -0.14 -2.74 -0.03 0.00 1.10 0.00 0.00 33.01 31.20 2k8p s GLN 118 CO 0.14 0.28 0.56 1.03 -0.55 0.00 0.00 175.29 176.75 2k8p s ARG 119 N 0.22 4.13 0.10 1.67 0.52 -1.26 -0.51 118.95 123.82 2k8p s ARG 119 Ca -0.05 0.44 -0.02 0.00 -0.52 0.00 0.00 55.73 55.58 2k8p s ARG 119 Cb -0.15 -3.62 -0.05 0.00 0.52 0.00 0.00 34.95 31.66 2k8p s ARG 119 CO 0.04 -0.31 0.28 0.54 0.02 0.00 0.00 175.30 175.87 2k8p s VAL 120 N 2.16 5.29 -0.38 3.52 0.11 0.65 -4.90 120.40 126.85 2k8p s VAL 120 Ca 0.24 -0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 2k8p s VAL 120 Cb -0.16 -3.63 0.06 0.00 -1.53 0.00 0.00 36.38 31.12 2k8p s VAL 120 CO 0.09 0.09 0.19 -1.58 -3.33 0.00 0.00 175.10 170.56 2k8p s GLN 121 N -2.58 2.59 0.10 1.54 0.74 -1.26 -1.21 119.66 119.58 2k8p s GLN 121 Ca 0.38 -1.33 -0.15 0.00 0.05 0.00 0.00 55.36 54.31 2k8p s GLN 121 Cb -0.13 -3.63 -0.07 0.00 1.10 0.00 0.00 33.01 30.29 2k8p s GLN 121 CO 0.27 -0.81 0.51 -0.51 -0.55 0.00 0.00 175.29 174.19 2k8p s LEU 122 N 1.41 4.40 0.09 3.68 1.43 0.79 -2.32 118.68 128.16 2k8p s LEU 122 Ca 0.01 1.05 0.07 0.00 -1.03 0.00 0.00 54.13 54.23 2k8p s LEU 122 Cb -0.21 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2k8p s LEU 122 CO 0.02 0.18 -0.11 -0.76 0.23 0.00 0.00 176.35 175.92 2k8p s LEU 123 N -1.66 3.01 -0.33 1.79 2.01 0.56 -1.18 118.68 122.89 2k8p s LEU 123 Ca 0.33 -0.38 0.03 0.00 0.01 0.00 0.00 54.13 54.12 2k8p s LEU 123 Cb -0.16 -1.80 0.09 0.00 0.01 0.00 0.00 46.19 44.33 2k8p s LEU 123 CO 0.18 0.19 0.03 0.00 1.01 0.00 0.00 176.35 177.77 2k8p h PRO 125 N 7.72 0.00 -0.02 0.00 0.13 -1.89 -2.98 132.00 134.97 2k8p h PRO 125 Ca -0.09 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2k8p h PRO 125 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2k8p h PRO 125 CO 0.53 0.11 0.04 0.78 -0.23 0.00 0.00 178.00 179.24 2k8p h GLY 126 N 1.84 0.00 0.00 1.56 0.00 -1.93 -3.45 103.07 101.09 2k8p h GLY 126 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k8p h GLY 126 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2k8p n GLY 127 N -1.20 1.65 0.10 4.60 0.00 -1.12 -5.13 105.19 104.10 2k8p n GLY 127 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2k8p n GLY 127 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k8p n GLU 128 N 0.00 -1.25 -3.94 1.61 2.13 -1.25 -5.05 120.64 112.89 2k8p n GLU 128 Ca 0.00 -0.05 -0.21 0.00 0.66 0.00 0.00 57.16 57.56 2k8p n GLU 128 Cb 0.00 -0.05 -0.02 0.00 0.27 0.00 0.00 31.44 31.64 2k8p n GLU 128 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k8p s ALA 129 N -2.82 3.93 0.48 4.31 0.00 -1.26 -4.60 121.76 121.79 2k8p s ALA 129 Ca 0.02 -1.26 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 2k8p s ALA 129 Cb -0.00 -1.70 -0.07 0.00 0.00 0.00 0.00 23.12 21.35 2k8p s ALA 129 CO 0.02 0.22 1.16 -1.25 0.00 0.00 0.00 175.76 175.90 2k8p s PRO 130 N -3.99 3.68 0.02 0.00 0.04 -1.26 -4.44 135.00 129.05 2k8p s PRO 130 Ca 0.35 1.74 0.08 0.00 0.04 0.00 0.00 61.00 63.21 2k8p s PRO 130 Cb -0.09 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 2k8p s PRO 130 CO 0.29 -0.61 -0.24 1.03 0.04 0.00 0.00 177.00 177.51 2k8p s ARG 131 N -2.82 1.73 0.03 4.56 1.81 -0.32 -4.93 118.95 119.01 2k8p s ARG 131 Ca 0.65 -0.96 -0.10 0.00 -1.72 0.00 0.00 55.73 53.61 2k8p s ARG 131 Cb -0.28 -1.80 -0.05 0.00 -0.45 0.00 0.00 34.95 32.37 2k8p s ARG 131 CO 0.33 0.48 0.34 0.00 -0.68 0.00 0.00 175.30 175.77 2k8p s ALA 132 N -0.70 3.77 -0.08 2.13 0.00 -1.26 -0.15 121.76 125.47 2k8p s ALA 132 Ca 0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 2k8p s ALA 132 Cb -0.09 -2.21 0.04 0.00 0.00 0.00 0.00 23.12 20.86 2k8p s ALA 132 CO 0.01 0.58 0.05 0.50 0.00 0.00 0.00 175.76 176.90 2k8p s ARG 133 N -1.63 0.15 -0.14 0.00 3.00 -0.35 -4.95 118.95 115.02 2k8p s ARG 133 Ca 0.28 0.20 -0.24 0.00 -1.00 0.00 0.00 55.73 54.97 2k8p s ARG 133 Cb -0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 34.95 33.87 2k8p s ARG 133 CO 0.15 -0.39 0.75 0.21 0.00 0.00 0.00 175.30 176.02 2k8p s LYS 134 N 2.10 4.32 -0.19 5.12 2.20 -1.26 -0.25 119.74 131.78 2k8p s LYS 134 Ca 0.04 0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 56.51 2k8p s LYS 134 Cb -0.13 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2k8p s LYS 134 CO -0.05 -0.19 -0.08 0.14 -0.36 0.00 0.00 175.35 174.81 2k8p s VAL 135 N 1.68 3.21 -0.53 4.02 -7.23 0.34 -4.93 120.40 116.96 2k8p s VAL 135 Ca 0.36 -0.57 -0.20 0.00 -1.81 0.00 0.00 61.98 59.76 2k8p s VAL 135 Cb -0.17 -2.42 0.06 0.00 0.56 0.00 0.00 36.38 34.41 2k8p s VAL 135 CO 0.14 0.47 0.72 -0.60 -0.31 0.00 0.00 175.10 175.51 2k8p s ARG 136 N 1.06 3.16 0.08 4.82 6.06 -1.26 -1.47 118.95 131.40 2k8p s ARG 136 Ca 0.00 -0.78 0.09 0.00 -2.50 0.00 0.00 55.73 52.55 2k8p s ARG 136 Cb -0.15 -4.11 -0.03 0.00 0.06 0.00 0.00 34.95 30.73 2k8p s ARG 136 CO -0.01 -1.33 -0.25 -0.51 -2.50 0.00 0.00 175.30 170.70 2k8p s LEU 137 N 3.00 2.24 0.29 -0.88 1.02 -0.99 -4.95 118.68 118.40 2k8p s LEU 137 Ca 0.19 -0.64 -0.28 0.00 0.02 0.00 0.00 54.13 53.41 2k8p s LEU 137 Cb -0.18 -1.15 -0.14 0.00 0.02 0.00 0.00 46.19 44.75 2k8p s LEU 137 CO 0.13 0.18 1.08 0.52 0.02 0.00 0.00 176.35 178.29 2k8p n VAL 138 N 1.40 1.94 -0.06 -1.59 0.31 -1.26 -0.02 118.33 119.05 2k8p n VAL 138 Ca -0.18 -0.48 -0.07 0.00 -0.01 0.00 0.00 64.34 63.60 2k8p n VAL 138 Cb 0.53 -1.12 -0.08 0.00 -0.91 0.00 0.00 33.84 32.25 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 0.33 1.71 -4.19 3.52 0.00 -0.32 -4.24 120.51 117.31 2k8p n ALA 139 Ca 0.09 -0.72 -0.22 0.00 0.00 0.00 0.00 53.44 52.59 2k8p n ALA 139 Cb 0.33 0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 2k8p n ALA 139 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k8p n SER 140 N -2.56 -0.73 -3.63 0.00 7.64 -0.41 -4.99 113.62 108.94 2k8p n SER 140 Ca -0.20 -3.08 -0.13 0.00 1.01 0.00 0.00 58.87 56.46 2k8p n SER 140 Cb 0.85 1.67 -0.07 0.00 -1.01 0.00 0.00 64.21 65.65 2k8p n SER 140 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8p s LYS 142 N 0.50 1.46 -0.32 0.00 1.02 -0.39 -4.87 119.74 117.16 2k8p s LYS 142 Ca -0.01 -1.47 -0.02 0.00 0.02 0.00 0.00 55.97 54.49 2k8p s LYS 142 Cb -0.05 -1.80 0.06 0.00 -0.52 0.00 0.00 37.83 35.52 2k8p s LYS 142 CO -0.01 0.40 0.04 0.00 -0.92 0.00 0.00 175.35 174.85 2k8p s LYS 144 N 1.24 0.83 -0.12 0.00 2.20 -1.17 -4.92 119.74 117.80 2k8p s LYS 144 Ca -0.03 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 2k8p s LYS 144 Cb -0.20 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 2k8p s LYS 144 CO -0.01 -0.27 1.08 0.50 -0.36 0.00 0.00 175.35 176.29 2k8p s ARG 145 N -3.09 4.36 0.39 4.03 3.52 -1.26 -4.20 118.95 122.69 2k8p s ARG 145 Ca -0.01 1.48 0.08 0.00 -0.13 0.00 0.00 55.73 57.15 2k8p s ARG 145 Cb 0.01 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 2k8p s ARG 145 CO -0.07 -0.43 0.13 -1.17 -0.81 0.00 0.00 175.30 172.95 2k8p s LEU 146 N 2.38 3.10 0.14 -0.88 2.96 -1.26 -5.04 118.68 120.08 2k8p s LEU 146 Ca 0.50 -1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 2k8p s LEU 146 Cb -0.20 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2k8p s LEU 146 CO 0.17 -0.44 0.05 0.42 -1.32 0.00 0.00 176.35 175.23 2k8p s THR 147 N -2.56 0.18 0.12 3.68 -4.23 -1.26 -4.87 115.64 106.71 2k8p s THR 147 Ca 0.39 -1.93 -0.22 0.00 -1.18 0.00 0.00 61.69 58.75 2k8p s THR 147 Cb 0.02 -2.09 0.06 0.00 1.34 0.00 0.00 72.50 71.84 2k8p s THR 147 CO 0.22 -0.43 0.56 -0.13 -0.54 0.00 0.00 174.62 174.29 2k8p s ARG 148 N -4.04 1.19 -0.16 3.99 0.52 -1.26 -5.18 118.95 114.02 2k8p s ARG 148 Ca 0.25 -0.42 -0.34 0.00 -0.52 0.00 0.00 55.73 54.69 2k8p s ARG 148 Cb 0.07 0.55 0.14 0.00 0.52 0.00 0.00 34.95 36.23 2k8p s ARG 148 CO 0.03 -0.49 1.30 -0.59 0.02 0.00 0.00 175.30 175.57 2k8p s PHE 149 N -3.38 -0.06 0.31 -0.53 -0.71 -1.26 -5.19 117.98 107.15 2k8p s PHE 149 Ca -0.00 0.02 -0.11 0.00 -1.04 0.00 0.00 56.93 55.79 2k8p s PHE 149 Cb -0.00 0.52 0.01 0.00 -1.21 0.00 0.00 43.02 42.34 2k8p s PHE 149 CO -0.09 -0.15 0.56 -1.58 -1.34 0.00 0.00 175.22 172.61 2k8p s HIS 150 N -2.28 0.48 -0.14 3.49 2.46 -1.26 -5.18 115.29 112.85 2k8p s HIS 150 Ca 0.12 -0.87 -0.29 0.00 0.47 0.00 0.00 55.06 54.49 2k8p s HIS 150 Cb 0.02 0.28 0.09 0.00 -0.13 0.00 0.00 32.58 32.83 2k8p s HIS 150 CO -0.04 -1.17 0.81 0.54 -2.47 0.00 0.00 174.74 172.41 2k8p s ASN 151 N -3.09 -0.58 -0.23 9.88 4.22 -1.26 -5.18 114.94 118.71 2k8p s ASN 151 Ca 0.23 0.78 -0.30 0.00 -2.14 0.00 0.00 52.86 51.43 2k8p s ASN 151 Cb -0.02 0.68 0.16 0.00 1.28 0.00 0.00 41.25 43.35 2k8p s ASN 151 CO 0.13 -0.43 1.20 -1.58 -2.04 0.00 0.00 177.10 174.38 2k8p s GLN 152 N -0.74 0.29 -0.04 3.55 0.74 -1.26 -5.19 119.66 117.02 2k8p s GLN 152 Ca -0.05 0.05 -0.29 0.00 0.05 0.00 0.00 55.36 55.12 2k8p s GLN 152 Cb -0.02 0.14 0.10 0.00 1.10 0.00 0.00 33.01 34.33 2k8p s GLN 152 CO 0.04 -0.10 0.84 0.45 -0.55 0.00 0.00 175.29 175.98 2k8p s SER 153 N -1.20 -0.46 -0.09 6.67 0.15 -1.26 -5.18 113.70 112.33 2k8p s SER 153 Ca 0.05 0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.83 2k8p s SER 153 Cb -0.01 0.42 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 2k8p s SER 153 CO -0.04 -0.58 0.37 -1.83 1.20 0.00 0.00 173.24 172.36 2k8p s GLU 154 N -2.19 0.55 0.01 5.44 -1.05 -1.26 -5.17 118.70 115.02 2k8p s GLU 154 Ca -0.01 0.27 -0.00 0.00 -0.15 0.00 0.00 54.97 55.08 2k8p s GLU 154 Cb -0.01 0.26 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 2k8p s GLU 154 CO -0.02 -0.11 -0.01 -1.17 0.95 0.00 0.00 175.26 174.90 2k8p s LEU 155 N -0.38 2.10 -0.29 1.83 2.96 -1.26 -5.15 118.68 118.48 2k8p s LEU 155 Ca -0.05 -0.24 -0.18 0.00 -0.22 0.00 0.00 54.13 53.43 2k8p s LEU 155 Cb -0.03 0.07 0.15 0.00 0.50 0.00 0.00 46.19 46.88 2k8p s LEU 155 CO 0.02 -0.15 1.04 -0.54 -1.32 0.00 0.00 176.35 175.39 2k8p s LYS 156 N -0.74 0.36 -0.30 1.98 1.02 -1.26 -5.15 119.74 115.65 2k8p s LYS 156 Ca -0.08 0.56 -0.15 0.00 0.02 0.00 0.00 55.97 56.33 2k8p s LYS 156 Cb -0.05 0.10 0.18 0.00 -0.52 0.00 0.00 37.83 37.53 2k8p s LYS 156 CO -0.00 -0.07 1.10 0.34 -0.92 0.00 0.00 175.35 175.80 2k8p s ASP 157 N 1.04 -0.35 0.00 2.83 -1.08 -1.26 -5.18 116.67 112.67 2k8p s ASP 157 Ca -0.06 0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.19 2k8p s ASP 157 Cb -0.04 1.29 0.00 0.00 -1.46 0.00 0.00 42.92 42.71 2k8p s ASP 157 CO -0.13 -0.06 0.00 0.49 0.52 0.00 0.00 175.17 175.99 2k8p n PHE 158 N 5.48 -0.26 0.00 -5.34 3.72 -1.26 -5.18 117.46 114.62 2k8p n PHE 158 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2k8p n PHE 158 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 2k8p n PHE 158 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k8p n GLY 159 N 0.00 3.94 3.61 1.37 0.00 -1.26 -5.18 105.19 107.68 2k8p n GLY 159 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 2k8p n GLY 159 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k8p s THR 160 N 0.00 0.00 0.31 2.61 -1.32 -1.26 -5.19 115.64 110.80 2k8p s THR 160 Ca 0.00 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 2k8p s THR 160 Cb 0.00 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 2k8p s THR 160 CO 0.00 0.00 0.68 -1.83 -2.21 0.00 0.00 174.62 171.26 2k8p s GLU 161 N -0.23 1.89 -0.25 7.08 1.03 -1.26 -5.19 118.70 121.78 2k8p s GLU 161 Ca 0.01 -1.23 -0.28 0.00 0.03 0.00 0.00 54.97 53.49 2k8p s GLU 161 Cb -0.03 0.58 0.16 0.00 -0.80 0.00 0.00 34.13 34.04 2k8p s GLU 161 CO -0.03 -0.86 1.23 0.00 -1.33 0.00 0.00 175.26 174.28 2k8p s ALA 162 N -3.38 -2.06 -0.16 -0.84 0.00 -1.26 -5.18 121.76 108.87 2k8p s ALA 162 Ca 0.16 1.76 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 2k8p s ALA 162 Cb -0.04 -1.30 0.11 0.00 0.00 0.00 0.00 23.12 21.89 2k8p s ALA 162 CO 0.10 -0.24 0.93 0.00 0.00 0.00 0.00 175.76 176.55 2k8p s ALA 163 N -0.76 -1.90 0.24 0.00 0.00 -1.26 -5.18 121.76 112.90 2k8p s ALA 163 Ca 0.05 1.60 0.11 0.00 0.00 0.00 0.00 51.96 53.72 2k8p s ALA 163 Cb -0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 2k8p s ALA 163 CO -0.06 -0.31 -0.18 -0.98 0.00 0.00 0.00 175.76 174.23 2k8p s ARG 164 N -0.85 1.74 0.85 0.00 1.70 -1.26 -5.14 118.95 116.00 2k8p s ARG 164 Ca -0.03 -1.60 -0.11 0.00 -0.47 0.00 0.00 55.73 53.52 2k8p s ARG 164 Cb -0.01 -1.88 0.10 0.00 -0.57 0.00 0.00 34.95 32.59 2k8p s ARG 164 CO 0.02 0.37 1.09 -1.25 -1.08 0.00 0.00 175.30 174.45 2k8p s PRO 165 N -3.19 1.60 0.04 3.89 0.04 -1.26 -5.07 135.00 131.04 2k8p s PRO 165 Ca 0.27 0.94 0.08 0.00 0.04 0.00 0.00 61.00 62.32 2k8p s PRO 165 Cb -0.06 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2k8p s PRO 165 CO 0.14 -2.04 -0.22 -1.14 0.04 0.00 0.00 177.00 173.78 2k8p s GLN 166 N -4.92 1.53 -0.30 4.56 0.74 -1.26 -5.12 119.66 114.88 2k8p s GLN 166 Ca 0.63 -0.95 -0.16 0.00 0.05 0.00 0.00 55.36 54.92 2k8p s GLN 166 Cb -0.18 -1.63 0.18 0.00 1.10 0.00 0.00 33.01 32.48 2k8p s GLN 166 CO 0.57 0.42 1.15 -1.59 -0.55 0.00 0.00 175.29 175.29 2k8p s LYS 167 N -1.10 0.17 -0.30 1.67 -2.85 -1.26 -5.17 119.74 110.91 2k8p s LYS 167 Ca 0.08 0.33 -0.16 0.00 -1.00 0.00 0.00 55.97 55.22 2k8p s LYS 167 Cb -0.09 0.09 0.17 0.00 -2.06 0.00 0.00 37.83 35.94 2k8p s LYS 167 CO 0.01 -0.04 1.10 0.20 0.10 0.00 0.00 175.35 176.72 2k8p s GLY 168 N 1.45 0.20 0.47 0.59 0.00 -1.26 -5.18 107.32 103.59 2k8p s GLY 168 Ca -0.06 3.40 0.07 0.00 0.00 0.00 0.00 44.72 48.13 2k8p s GLY 168 CO -0.13 2.84 0.43 0.50 0.00 0.00 0.00 173.10 176.73 2k8p s ARG 169 N 1.51 2.42 -0.41 2.90 1.81 -1.26 -5.09 118.95 120.82 2k8p s ARG 169 Ca -0.07 -1.69 0.08 0.00 -1.72 0.00 0.00 55.73 52.33 2k8p s ARG 169 Cb -0.03 -2.32 0.26 0.00 -0.45 0.00 0.00 34.95 32.41 2k8p s ARG 169 CO -0.14 -0.39 0.58 1.17 -0.68 0.00 0.00 175.30 175.84 2k8p n LYS 170 N -1.68 0.96 -2.26 3.54 3.00 -1.26 -5.12 118.16 115.34 2k8p n LYS 170 Ca 0.03 -3.41 -0.39 0.00 -0.00 0.00 0.00 58.31 54.55 2k8p n LYS 170 Cb 0.62 -1.39 -0.02 0.00 0.00 0.00 0.00 35.03 34.25 2k8p n LYS 170 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2k8p s PRO 171 N -1.50 4.10 0.15 1.64 0.04 -1.26 -5.06 135.00 133.11 2k8p s PRO 171 Ca 0.36 1.90 0.06 0.00 0.04 0.00 0.00 61.00 63.37 2k8p s PRO 171 Cb 0.19 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 2k8p s PRO 171 CO -0.10 -0.30 -0.13 -0.98 0.04 0.00 0.00 177.00 175.53 2k8p s ARG 172 N -2.21 1.12 0.22 4.56 1.70 -1.26 -5.13 118.95 117.96 2k8p s ARG 172 Ca 0.56 -1.40 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 2k8p s ARG 172 Cb -0.32 -0.89 -0.09 0.00 -0.57 0.00 0.00 34.95 33.07 2k8p s ARG 172 CO 0.41 0.15 1.29 -1.25 -1.08 0.00 0.00 175.30 174.82 2k8p s PRO 173 N -3.24 4.41 -0.23 3.89 0.04 -1.26 -5.02 135.00 133.59 2k8p s PRO 173 Ca 0.15 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.20 2k8p s PRO 173 Cb -0.02 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 2k8p s PRO 173 CO 0.03 -0.20 -0.03 0.50 0.04 0.00 0.00 177.00 177.34 2k8p s ARG 174 N -0.46 3.36 -0.02 4.56 3.52 -1.26 -5.10 118.95 123.54 2k8p s ARG 174 Ca 0.54 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 55.51 2k8p s ARG 174 Cb -0.36 -3.04 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 2k8p s ARG 174 CO 0.40 -0.21 -0.01 0.00 -0.81 0.00 0.00 175.30 174.66 2k8p s ALA 175 N 1.48 3.22 -0.29 6.12 0.00 -1.26 -5.09 121.76 125.94 2k8p s ALA 175 Ca 0.05 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2k8p s ALA 175 Cb -0.14 -1.32 0.16 0.00 0.00 0.00 0.00 23.12 21.81 2k8p s ALA 175 CO -0.03 0.63 0.42 1.03 0.00 0.00 0.00 175.76 177.81 2k8p s ARG 176 N -1.36 0.42 0.40 0.00 3.00 -1.26 -5.16 118.95 114.98 2k8p s ARG 176 Ca 0.18 0.19 0.08 0.00 0.00 0.00 0.00 55.73 56.17 2k8p s ARG 176 Cb -0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 34.95 34.51 2k8p s ARG 176 CO 0.08 -1.00 0.14 -1.12 0.00 0.00 0.00 175.30 173.39 2k8p s SER 177 N 2.56 4.36 -0.24 0.23 0.01 -1.26 -5.13 113.70 114.24 2k8p s SER 177 Ca 0.10 -1.07 -0.01 0.00 1.31 0.00 0.00 55.95 56.28 2k8p s SER 177 Cb -0.12 -0.50 0.07 0.00 0.21 0.00 0.00 66.02 65.68 2k8p s SER 177 CO -0.29 -0.47 0.03 0.00 0.41 0.00 0.00 173.24 172.92 2k8p s ALA 178 N -2.58 1.46 -0.34 1.44 0.00 -1.26 -5.10 121.76 115.37 2k8p s ALA 178 Ca 0.39 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 2k8p s ALA 178 Cb 0.03 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.80 2k8p s ALA 178 CO 0.22 -1.33 0.12 0.15 0.00 0.00 0.00 175.76 174.91 2k8p s LYS 179 N 1.64 2.61 -0.29 0.00 -0.14 -1.26 -5.03 119.74 117.28 2k8p s LYS 179 Ca 0.01 -1.21 0.03 0.00 -1.36 0.00 0.00 55.97 53.44 2k8p s LYS 179 Cb -0.18 -3.48 0.18 0.00 -1.68 0.00 0.00 37.83 32.67 2k8p s LYS 179 CO -0.12 -0.69 0.51 0.00 -0.76 0.00 0.00 175.35 174.29 2k8p s ALA 180 N 1.40 -1.86 0.16 5.17 0.00 -1.26 -5.16 121.76 120.22 2k8p s ALA 180 Ca -0.01 0.86 0.07 0.00 0.00 0.00 0.00 51.96 52.88 2k8p s ALA 180 Cb -0.20 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 2k8p s ALA 180 CO 0.03 -1.69 -0.15 0.54 0.00 0.00 0.00 175.76 174.49 2k8p s ASN 181 N 2.71 2.34 -0.04 0.00 4.22 -1.26 -5.16 114.94 117.76 2k8p s ASN 181 Ca 0.12 -0.91 -0.07 0.00 -2.14 0.00 0.00 52.86 49.86 2k8p s ASN 181 Cb -0.12 -0.11 0.01 0.00 1.28 0.00 0.00 41.25 42.31 2k8p s ASN 181 CO -0.26 -0.14 0.16 -1.58 -2.04 0.00 0.00 177.10 173.25 2k8p s GLN 182 N -3.09 0.33 -0.22 3.55 0.74 -1.26 -5.15 119.66 114.55 2k8p s GLN 182 Ca 0.16 -0.03 -0.07 0.00 0.05 0.00 0.00 55.36 55.46 2k8p s GLN 182 Cb -0.03 0.15 0.10 0.00 1.10 0.00 0.00 33.01 34.33 2k8p s GLN 182 CO 0.05 -0.07 0.48 0.00 -0.55 0.00 0.00 175.29 175.20 2k8p s ALA 183 N -0.54 -1.38 0.36 1.58 0.00 -1.26 -5.17 121.76 115.35 2k8p s ALA 183 Ca -0.06 1.70 0.09 0.00 0.00 0.00 0.00 51.96 53.69 2k8p s ALA 183 Cb -0.04 -1.45 -0.07 0.00 0.00 0.00 0.00 23.12 21.56 2k8p s ALA 183 CO 0.01 -0.82 -0.05 -2.00 0.00 0.00 0.00 175.76 172.90 2k8p s GLU 184 N 2.68 1.89 -0.06 0.00 2.12 -1.26 -5.06 118.70 119.01 2k8p s GLU 184 Ca -0.02 -1.96 0.01 0.00 0.36 0.00 0.00 54.97 53.37 2k8p s GLU 184 Cb -0.12 -1.72 -0.05 0.00 0.26 0.00 0.00 34.13 32.50 2k8p s GLU 184 CO -0.14 0.09 -0.04 1.47 -0.54 0.00 0.00 175.26 176.09 2k8p n LEU 185 N -0.86 2.35 -3.69 2.70 -0.00 -1.26 -5.05 117.00 111.18 2k8p n LEU 185 Ca -0.05 -0.03 -0.25 0.00 -0.00 0.00 0.00 56.01 55.68 2k8p n LEU 185 Cb 0.64 -0.15 0.03 0.00 -0.00 0.00 0.00 43.42 43.94 2k8p n LEU 185 CO 0.45 0.51 -0.09 -0.62 -0.00 0.00 0.00 177.39 177.63 2k8p n GLU 186 N -2.58 -3.07 -3.12 1.47 1.02 -1.26 -4.94 120.64 108.15 2k8p n GLU 186 Ca -0.11 0.55 -0.39 0.00 -0.02 0.00 0.00 57.16 57.19 2k8p n GLU 186 Cb 0.63 -4.76 -0.06 0.00 -0.02 0.00 0.00 31.44 27.24 2k8p n GLU 186 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2k8p s ASN 187 N -3.96 7.20 0.21 1.62 3.84 -1.26 -5.07 114.94 117.52 2k8p s ASN 187 Ca 0.21 1.42 0.03 0.00 0.21 0.00 0.00 52.86 54.73 2k8p s ASN 187 Cb -0.07 -2.43 -0.01 0.00 -0.55 0.00 0.00 41.25 38.20 2k8p s ASN 187 CO 0.84 0.21 0.10 0.00 -2.79 0.00 0.00 177.10 175.45 2k8p n ALA 188 N 1.87 0.33 1.19 1.71 0.00 -1.26 -5.33 120.51 119.03 2k8p n ALA 188 Ca -0.07 -1.11 0.10 0.00 0.00 0.00 0.00 53.44 52.35 2k8p n ALA 188 Cb 0.50 0.79 0.57 0.00 0.00 0.00 0.00 19.45 21.30 2k8p n ALA 188 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48