#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8d s PHE 3 N 0.00 -0.10 -0.08 7.33 -0.71 -1.26 -4.57 117.98 118.59 3k8d s PHE 3 Ca 0.00 -0.19 0.01 0.00 -1.04 0.00 0.00 56.93 55.71 3k8d s PHE 3 Cb 0.00 0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 3k8d s PHE 3 CO 0.00 -0.62 -0.11 0.08 -1.34 0.00 0.00 175.22 173.23 3k8d s VAL 4 N -3.50 3.32 -0.17 -2.49 1.01 -0.40 -1.22 120.40 116.97 3k8d s VAL 4 Ca 0.01 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3k8d s VAL 4 Cb 0.02 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3k8d s VAL 4 CO -0.09 0.57 0.06 -0.69 0.00 0.00 0.00 175.10 174.94 3k8d s VAL 5 N -0.42 4.76 -0.10 2.92 1.01 -0.22 -0.36 120.40 127.99 3k8d s VAL 5 Ca 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.02 3k8d s VAL 5 Cb -0.12 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.14 3k8d s VAL 5 CO 0.02 0.49 -0.20 -0.63 0.00 0.00 0.00 175.10 174.79 3k8d s ILE 6 N 0.12 1.74 -0.31 2.22 1.01 -0.61 -1.02 121.20 124.35 3k8d s ILE 6 Ca 0.05 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 3k8d s ILE 6 Cb -0.12 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.85 3k8d s ILE 6 CO 0.01 0.49 0.05 -0.63 0.00 0.00 0.00 174.94 174.85 3k8d s ILE 7 N 0.56 3.48 0.05 2.92 1.01 0.32 -2.81 121.20 126.72 3k8d s ILE 7 Ca -0.15 -1.10 -0.28 0.00 0.00 0.00 0.00 60.65 59.12 3k8d s ILE 7 Cb -0.17 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 3k8d s ILE 7 CO 0.05 -0.05 0.90 -2.16 0.00 0.00 0.00 174.94 173.68 3k8d s PRO 8 N 1.37 4.59 -0.47 2.79 0.04 -1.26 -0.44 135.00 141.62 3k8d s PRO 8 Ca -0.02 1.31 0.06 0.00 0.04 0.00 0.00 61.00 62.39 3k8d s PRO 8 Cb -0.19 -3.41 0.19 0.00 0.04 0.00 0.00 34.50 31.13 3k8d s PRO 8 CO 0.01 0.13 0.56 0.00 0.04 0.00 0.00 177.00 177.74 3k8d n ALA 9 N 3.23 0.27 -1.70 8.56 0.00 0.44 -2.91 120.51 128.39 3k8d n ALA 9 Ca 0.02 -1.99 -0.32 0.00 0.00 0.00 0.00 53.44 51.15 3k8d n ALA 9 Cb 0.50 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.81 3k8d n ALA 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3k8d s ARG 10 N 0.45 3.38 -0.08 0.00 1.70 -1.26 -4.29 118.95 118.86 3k8d s ARG 10 Ca 0.32 1.05 -0.24 0.00 -0.47 0.00 0.00 55.73 56.38 3k8d s ARG 10 Cb 0.03 -2.05 -0.28 0.00 -0.57 0.00 0.00 34.95 32.08 3k8d s ARG 10 CO -0.12 -0.75 0.88 -0.92 -1.08 0.00 0.00 175.30 173.31 3k8d h TYR 11 N 0.18 0.34 -0.39 5.89 3.20 -1.96 -3.41 116.97 120.81 3k8d h TYR 11 Ca -0.46 -0.24 -0.70 0.00 3.14 0.00 0.00 58.73 60.48 3k8d h TYR 11 Cb 1.21 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 3k8d h TYR 11 CO 0.61 1.16 3.30 0.00 -1.64 0.00 0.00 178.16 181.59 3k8d n ALA 12 N -2.63 7.07 -1.77 1.82 0.00 -1.26 -1.40 120.51 122.34 3k8d n ALA 12 Ca -0.12 -3.76 -0.38 0.00 0.00 0.00 0.00 53.44 49.19 3k8d n ALA 12 Cb 0.67 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.92 3k8d n ALA 12 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3k8d s SER 13 N 1.69 6.02 -0.11 0.00 1.04 -1.26 -4.91 113.70 116.17 3k8d s SER 13 Ca 0.62 2.46 -0.04 0.00 0.48 0.00 0.00 55.95 59.46 3k8d s SER 13 Cb 0.17 -2.62 -0.26 0.00 0.10 0.00 0.00 66.02 63.42 3k8d s SER 13 CO -0.07 -1.03 0.40 0.35 0.98 0.00 0.00 173.24 173.86 3k8d n THR 14 N -0.47 1.76 0.28 2.02 -2.24 -1.26 -2.69 114.28 111.68 3k8d n THR 14 Ca 0.07 -0.67 0.13 0.00 -2.27 0.00 0.00 64.05 61.31 3k8d n THR 14 Cb 0.47 -1.65 0.32 0.00 -2.10 0.00 0.00 70.33 67.36 3k8d n THR 14 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3k8d h ARG 15 N 0.06 0.00 -1.35 -0.78 3.08 -1.94 -3.39 114.38 110.07 3k8d h ARG 15 Ca -0.41 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.40 3k8d h ARG 15 Cb 2.03 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.86 3k8d h ARG 15 CO 0.09 0.00 -0.60 -1.17 -1.07 0.00 0.00 179.97 177.22 3k8d s LEU 16 N -5.97 -0.79 0.41 3.04 0.20 -1.25 -4.35 118.68 109.97 3k8d s LEU 16 Ca 0.06 -1.82 -0.25 0.00 0.69 0.00 0.00 54.13 52.82 3k8d s LEU 16 Cb 0.07 1.34 -0.11 0.00 -0.43 0.00 0.00 46.19 47.06 3k8d s LEU 16 CO 0.62 -0.11 1.07 -2.65 -0.29 0.00 0.00 176.35 174.99 3k8d n PRO 17 N 3.30 1.48 -2.23 0.98 -0.02 -1.10 -2.51 135.00 134.90 3k8d n PRO 17 Ca 0.18 0.53 -0.20 0.00 -2.02 0.00 0.00 63.50 61.99 3k8d n PRO 17 Cb 0.53 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 3k8d n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k8d n GLY 18 N 1.10 0.01 0.26 -1.23 0.00 -0.50 -4.90 105.19 99.93 3k8d n GLY 18 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 3k8d n GLY 18 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3k8d h LYS 19 N 0.00 0.00 -0.19 1.61 2.10 -1.58 -1.99 116.57 116.53 3k8d h LYS 19 Ca -0.47 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.24 3k8d h LYS 19 Cb 1.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.67 3k8d h LYS 19 CO 0.57 0.04 0.17 -1.35 -2.00 0.00 0.00 179.45 176.89 3k8d h PRO 20 N 0.00 0.00 -0.21 0.07 0.11 -1.85 -2.53 132.00 127.60 3k8d h PRO 20 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3k8d h PRO 20 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3k8d h PRO 20 CO 0.01 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.08 3k8d n LEU 21 N -4.05 3.08 -4.76 2.35 4.77 -0.75 -1.30 117.00 116.34 3k8d n LEU 21 Ca 0.02 -1.28 -0.41 0.00 -0.03 0.00 0.00 56.01 54.31 3k8d n LEU 21 Cb 0.30 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3k8d n LEU 21 CO 0.30 0.61 1.07 0.68 -1.33 0.00 0.00 177.39 178.72 3k8d s VAL 22 N -1.58 2.58 0.12 4.08 -7.23 -0.95 -4.66 120.40 112.76 3k8d s VAL 22 Ca 0.31 0.53 -0.30 0.00 -1.81 0.00 0.00 61.98 60.70 3k8d s VAL 22 Cb 0.19 -3.34 -0.07 0.00 0.56 0.00 0.00 36.38 33.73 3k8d s VAL 22 CO 0.28 0.11 1.23 -0.62 -0.31 0.00 0.00 175.10 175.78 3k8d s ASP 23 N 0.00 7.04 -0.29 4.85 2.15 -1.26 -1.32 116.67 127.85 3k8d s ASP 23 Ca 0.55 2.15 0.01 0.00 0.43 0.00 0.00 52.55 55.69 3k8d s ASP 23 Cb -0.42 -2.59 0.08 0.00 -0.30 0.00 0.00 42.92 39.69 3k8d s ASP 23 CO 0.49 -0.46 0.02 -0.63 -0.17 0.00 0.00 175.17 174.43 3k8d s ILE 24 N 0.62 1.55 -1.49 4.11 1.01 0.90 -4.85 121.20 123.04 3k8d s ILE 24 Ca 0.57 -1.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 3k8d s ILE 24 Cb -0.32 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.19 3k8d s ILE 24 CO 0.32 -0.42 0.64 0.59 0.00 0.00 0.00 174.94 176.07 3k8d n ASN 25 N 4.60 -1.91 0.00 3.58 3.02 -1.26 -2.49 115.26 120.80 3k8d n ASN 25 Ca -0.04 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3k8d n ASN 25 Cb 0.43 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 3k8d n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k8d n GLY 26 N -1.74 0.48 3.11 7.41 0.00 -1.26 -5.05 105.19 108.14 3k8d n GLY 26 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 3k8d n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k8d s LYS 27 N -0.85 0.82 0.50 1.61 1.02 -1.04 -5.10 119.74 116.70 3k8d s LYS 27 Ca 0.00 -0.68 -0.22 0.00 0.02 0.00 0.00 55.97 55.09 3k8d s LYS 27 Cb 0.00 -0.78 -0.06 0.00 -0.52 0.00 0.00 37.83 36.46 3k8d s LYS 27 CO 0.00 0.19 1.20 -1.25 -0.92 0.00 0.00 175.35 174.57 3k8d s PRO 28 N -1.06 3.50 0.27 -1.68 0.05 -1.26 -0.07 135.00 134.74 3k8d s PRO 28 Ca -0.00 1.84 -0.02 0.00 0.05 0.00 0.00 61.00 62.87 3k8d s PRO 28 Cb -0.07 -2.27 0.58 0.00 0.05 0.00 0.00 34.50 32.79 3k8d s PRO 28 CO 0.01 -0.79 1.66 1.98 0.05 0.00 0.00 177.00 179.91 3k8d h MET 29 N 1.68 0.21 -0.54 4.56 1.85 -1.04 0.66 114.93 122.30 3k8d h MET 29 Ca -0.50 -0.01 0.07 0.00 -0.61 0.00 0.00 59.70 58.64 3k8d h MET 29 Cb 1.27 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 33.22 3k8d h MET 29 CO 0.59 0.14 0.36 0.97 -0.40 0.00 0.00 176.91 178.57 3k8d h ILE 30 N 0.21 0.97 -0.14 1.77 6.09 -1.47 -1.25 117.51 123.70 3k8d h ILE 30 Ca 0.49 -0.16 -0.16 0.00 -1.37 0.00 0.00 64.86 63.65 3k8d h ILE 30 Cb 0.91 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 3k8d h ILE 30 CO -0.61 0.09 -0.58 0.58 -3.07 0.00 0.00 178.15 174.56 3k8d h VAL 31 N 0.48 1.34 -0.48 2.19 2.07 -1.13 -1.51 116.25 119.21 3k8d h VAL 31 Ca 0.24 -1.87 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 3k8d h VAL 31 Cb 0.33 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3k8d h VAL 31 CO -0.07 0.57 0.29 0.45 0.02 0.00 0.00 177.57 178.83 3k8d h HIS 32 N 0.34 0.63 -0.60 1.57 3.86 -1.09 -1.59 115.15 118.27 3k8d h HIS 32 Ca 0.00 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3k8d h HIS 32 Cb 1.11 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.35 3k8d h HIS 32 CO 0.04 0.43 0.31 0.28 0.86 0.00 0.00 177.93 179.86 3k8d h VAL 33 N 0.63 1.20 -0.89 2.45 2.07 -1.23 -1.81 116.25 118.67 3k8d h VAL 33 Ca 0.17 -0.53 0.15 0.00 0.82 0.00 0.00 66.70 67.31 3k8d h VAL 33 Cb -0.01 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 3k8d h VAL 33 CO -0.03 0.22 0.49 0.25 0.02 0.00 0.00 177.57 178.52 3k8d h LEU 34 N 0.82 0.61 -0.52 2.57 5.85 -1.06 -1.33 115.31 122.24 3k8d h LEU 34 Ca 0.21 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 3k8d h LEU 34 Cb 0.07 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3k8d h LEU 34 CO -0.03 0.25 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.90 3k8d h GLU 35 N 0.67 0.99 -0.71 1.25 4.39 -0.53 -0.92 114.58 119.71 3k8d h GLU 35 Ca 0.49 -0.36 0.04 0.00 0.34 0.00 0.00 59.36 59.87 3k8d h GLU 35 Cb 0.70 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 3k8d h GLU 35 CO -0.36 1.03 0.44 0.00 -1.16 0.00 0.00 179.01 178.96 3k8d h ARG 36 N 0.85 0.82 -0.49 2.33 2.47 -0.59 -1.04 114.38 118.73 3k8d h ARG 36 Ca 0.14 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 3k8d h ARG 36 Cb 0.65 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 3k8d h ARG 36 CO 0.04 0.54 0.18 0.00 0.56 0.00 0.00 179.97 181.30 3k8d h ALA 37 N 1.32 0.64 -0.59 0.04 0.00 -0.92 -2.40 119.26 117.35 3k8d h ALA 37 Ca 0.29 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3k8d h ALA 37 Cb 0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3k8d h ALA 37 CO -0.13 0.27 0.33 0.00 0.00 0.00 0.00 179.25 179.72 3k8d h ARG 38 N 0.66 0.61 0.00 0.00 3.08 -0.83 -2.34 114.38 115.55 3k8d h ARG 38 Ca 0.16 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3k8d h ARG 38 Cb 0.23 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3k8d h ARG 38 CO -0.01 0.40 -0.03 0.93 -1.07 0.00 0.00 179.97 180.19 3k8d h GLU 39 N 0.63 0.00 0.00 0.04 5.08 -0.78 -2.46 114.58 117.09 3k8d h GLU 39 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3k8d h GLU 39 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3k8d h GLU 39 CO -0.15 0.03 0.00 0.66 -1.00 0.00 0.00 179.01 178.55 3k8d h SER 40 N 0.00 0.00 0.00 1.42 4.64 -0.94 -3.46 113.55 115.21 3k8d h SER 40 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k8d h SER 40 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3k8d h SER 40 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3k8d n GLY 41 N 0.48 0.62 3.56 -0.77 0.00 -0.92 -4.74 105.19 103.41 3k8d n GLY 41 Ca 0.03 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 3k8d n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8d n ALA 42 N 0.24 -0.52 0.18 4.61 0.00 -1.26 -4.80 120.51 118.97 3k8d n ALA 42 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.82 3k8d n ALA 42 Cb 0.00 -1.97 0.28 0.00 0.00 0.00 0.00 19.45 17.77 3k8d n ALA 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3k8d h GLU 43 N 1.63 0.00 -2.66 0.00 4.39 -1.56 -3.45 114.58 112.93 3k8d h GLU 43 Ca -0.40 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.19 3k8d h GLU 43 Cb 1.36 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.77 3k8d h GLU 43 CO 0.58 0.37 -0.18 0.50 -1.16 0.00 0.00 179.01 179.12 3k8d s ARG 44 N -3.44 0.55 -0.06 2.33 3.52 -1.25 -5.06 118.95 115.55 3k8d s ARG 44 Ca 0.01 0.54 -0.00 0.00 -0.13 0.00 0.00 55.73 56.15 3k8d s ARG 44 Cb 0.10 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.78 3k8d s ARG 44 CO 0.69 -0.08 -0.02 0.42 -0.81 0.00 0.00 175.30 175.50 3k8d s ILE 45 N 0.05 0.45 -0.05 4.11 1.01 -1.26 -1.05 121.20 124.46 3k8d s ILE 45 Ca -0.02 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.65 3k8d s ILE 45 Cb -0.03 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.92 3k8d s ILE 45 CO 0.01 0.23 -0.12 -0.63 0.00 0.00 0.00 174.94 174.44 3k8d s ILE 46 N 1.38 1.05 -0.21 2.92 1.01 -0.19 -4.01 121.20 123.16 3k8d s ILE 46 Ca -0.04 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 3k8d s ILE 46 Cb -0.13 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 3k8d s ILE 46 CO -0.03 0.33 0.37 -0.69 0.00 0.00 0.00 174.94 174.92 3k8d s VAL 47 N 0.49 5.22 -0.27 2.92 1.01 -0.38 -0.52 120.40 128.87 3k8d s VAL 47 Ca -0.10 0.64 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 3k8d s VAL 47 Cb -0.14 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3k8d s VAL 47 CO 0.03 0.26 0.21 0.00 0.00 0.00 0.00 175.10 175.60 3k8d s ALA 48 N 1.28 3.56 0.21 5.51 0.00 0.41 -0.86 121.76 131.87 3k8d s ALA 48 Ca 0.18 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 3k8d s ALA 48 Cb -0.15 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 3k8d s ALA 48 CO 0.07 -0.46 0.23 -0.08 0.00 0.00 0.00 175.76 175.52 3k8d s THR 49 N 1.60 0.01 -0.05 0.00 -1.32 -0.87 -0.42 115.64 114.58 3k8d s THR 49 Ca 0.09 -1.81 0.01 0.00 -1.21 0.00 0.00 61.69 58.76 3k8d s THR 49 Cb -0.15 -2.37 0.01 0.00 -1.51 0.00 0.00 72.50 68.48 3k8d s THR 49 CO 0.09 -0.04 0.85 -0.90 -2.21 0.00 0.00 174.62 172.42 3k8d n ASP 50 N -0.29 1.73 -3.92 8.08 5.75 -1.26 -0.65 116.55 125.99 3k8d n ASP 50 Ca 0.00 -1.69 -0.22 0.00 -0.01 0.00 0.00 54.79 52.87 3k8d n ASP 50 Cb 0.65 -0.01 -0.17 0.00 -1.03 0.00 0.00 41.12 40.56 3k8d n ASP 50 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3k8d s HIS 51 N -0.70 1.01 0.39 2.11 2.46 -1.26 -4.89 115.29 114.41 3k8d s HIS 51 Ca 0.01 -0.35 0.06 0.00 0.47 0.00 0.00 55.06 55.25 3k8d s HIS 51 Cb 0.01 -0.85 0.79 0.00 -0.13 0.00 0.00 32.58 32.40 3k8d s HIS 51 CO 0.01 -0.26 2.02 0.93 -2.47 0.00 0.00 174.74 174.97 3k8d h GLU 52 N 7.35 0.56 -0.20 2.88 5.08 -1.99 -1.73 114.58 126.52 3k8d h GLU 52 Ca -0.33 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 3k8d h GLU 52 Cb 1.16 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3k8d h GLU 52 CO 0.44 0.41 -0.27 -0.44 -1.00 0.00 0.00 179.01 178.16 3k8d h ASP 53 N 0.57 0.38 -0.15 1.42 3.32 -1.99 0.03 116.42 120.00 3k8d h ASP 53 Ca 0.15 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3k8d h ASP 53 Cb 0.01 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3k8d h ASP 53 CO -0.03 0.64 -0.08 0.58 -1.72 0.00 0.00 179.24 178.63 3k8d h VAL 54 N 0.33 1.32 -0.40 -1.35 2.07 -1.78 -2.75 116.25 113.69 3k8d h VAL 54 Ca 0.05 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.50 3k8d h VAL 54 Cb 0.65 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 3k8d h VAL 54 CO 0.05 0.34 -0.09 0.00 0.02 0.00 0.00 177.57 177.89 3k8d h ALA 55 N 0.66 0.28 -0.98 1.67 0.00 -1.04 -1.98 119.26 117.87 3k8d h ALA 55 Ca 0.03 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3k8d h ALA 55 Cb 0.57 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3k8d h ALA 55 CO 0.02 -0.45 0.64 0.00 0.00 0.00 0.00 179.25 179.47 3k8d h ARG 56 N 0.01 1.30 -0.62 0.00 3.08 -1.01 -0.18 114.38 116.97 3k8d h ARG 56 Ca 0.19 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3k8d h ARG 56 Cb 0.29 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3k8d h ARG 56 CO -0.40 0.87 0.28 0.00 -1.07 0.00 0.00 179.97 179.65 3k8d h ALA 57 N 1.35 0.80 -0.25 0.04 0.00 -1.14 -0.96 119.26 119.10 3k8d h ALA 57 Ca 0.36 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3k8d h ALA 57 Cb -0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3k8d h ALA 57 CO -0.08 0.39 -0.32 0.28 0.00 0.00 0.00 179.25 179.53 3k8d h VAL 58 N 0.86 1.31 -0.68 0.00 2.07 -0.89 -2.60 116.25 116.33 3k8d h VAL 58 Ca 0.21 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 3k8d h VAL 58 Cb 0.16 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3k8d h VAL 58 CO -0.02 0.47 0.39 -0.33 0.02 0.00 0.00 177.57 178.10 3k8d h GLU 59 N 0.37 0.92 0.00 1.57 5.08 -0.94 -0.40 114.58 121.18 3k8d h GLU 59 Ca 0.03 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3k8d h GLU 59 Cb 0.89 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3k8d h GLU 59 CO 0.08 0.66 -0.24 0.00 -1.00 0.00 0.00 179.01 178.50 3k8d h ALA 60 N 1.50 1.10 -0.08 3.43 0.00 -1.07 -0.78 119.26 123.36 3k8d h ALA 60 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3k8d h ALA 60 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3k8d h ALA 60 CO -0.04 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3k8d n ALA 61 N -2.27 2.55 -0.79 0.00 0.00 -0.68 -4.94 120.51 114.39 3k8d n ALA 61 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3k8d n ALA 61 Cb 0.40 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3k8d n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8d n GLY 62 N 1.16 0.53 3.91 0.00 0.00 -0.30 -5.05 105.19 105.44 3k8d n GLY 62 Ca 0.18 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 3k8d n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k8d s GLY 63 N -2.64 1.98 0.28 -0.02 0.00 -0.25 -4.99 107.32 101.68 3k8d s GLY 63 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 44.72 43.80 3k8d s GLY 63 CO 0.00 -0.56 1.02 1.85 0.00 0.00 0.00 173.10 175.41 3k8d s GLU 64 N -3.15 4.66 0.01 2.90 2.12 -1.26 -4.01 118.70 119.97 3k8d s GLU 64 Ca 0.41 1.60 0.06 0.00 0.36 0.00 0.00 54.97 57.41 3k8d s GLU 64 Cb -0.11 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 3k8d s GLU 64 CO 0.27 0.29 -0.19 0.08 -0.54 0.00 0.00 175.26 175.18 3k8d s VAL 65 N -1.28 1.50 -0.18 3.70 1.01 -1.26 -1.25 120.40 122.64 3k8d s VAL 65 Ca 0.45 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3k8d s VAL 65 Cb -0.27 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 34.87 3k8d s VAL 65 CO 0.34 0.33 -0.15 0.00 0.00 0.00 0.00 175.10 175.62 3k8d s MET 67 N 1.37 4.35 0.16 0.00 -1.94 -1.26 -2.06 119.30 119.92 3k8d s MET 67 Ca 0.03 1.82 -0.02 0.00 -1.71 0.00 0.00 55.69 55.81 3k8d s MET 67 Cb -0.14 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.75 3k8d s MET 67 CO -0.11 -0.06 0.10 0.95 -0.01 0.00 0.00 175.02 175.90 3k8d s THR 68 N -1.32 0.07 0.45 2.05 -4.23 0.18 -4.89 115.64 107.96 3k8d s THR 68 Ca 0.51 -1.89 -0.25 0.00 -1.18 0.00 0.00 61.69 58.88 3k8d s THR 68 Cb -0.31 -2.17 -0.08 0.00 1.34 0.00 0.00 72.50 71.29 3k8d s THR 68 CO 0.40 -0.31 1.35 -0.13 -0.54 0.00 0.00 174.62 175.39 3k8d s ARG 69 N -4.08 3.68 0.50 3.99 0.52 -1.26 -4.40 118.95 117.90 3k8d s ARG 69 Ca 0.28 2.24 0.29 0.00 -0.52 0.00 0.00 55.73 58.01 3k8d s ARG 69 Cb 0.07 -2.59 1.27 0.00 0.52 0.00 0.00 34.95 34.22 3k8d s ARG 69 CO 0.05 -0.76 1.97 0.00 0.02 0.00 0.00 175.30 176.58 3k8d h ALA 70 N 2.25 1.09 -0.16 2.13 0.00 -1.95 -3.25 119.26 119.36 3k8d h ALA 70 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3k8d h ALA 70 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3k8d h ALA 70 CO 0.61 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 3k8d n ASP 71 N -3.37 1.63 -4.77 0.00 5.75 -1.26 -4.89 116.55 109.63 3k8d n ASP 71 Ca -0.00 -1.70 -0.40 0.00 -0.01 0.00 0.00 54.79 52.67 3k8d n ASP 71 Cb 0.32 -0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.32 3k8d n ASP 71 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3k8d s HIS 72 N -1.79 2.48 -1.96 2.11 3.76 -1.23 -4.93 115.29 113.73 3k8d s HIS 72 Ca 0.32 1.22 0.20 0.00 -0.15 0.00 0.00 55.06 56.65 3k8d s HIS 72 Cb 0.17 -3.98 0.03 0.00 1.11 0.00 0.00 32.58 29.91 3k8d s HIS 72 CO 0.26 -3.02 1.02 1.04 -0.85 0.00 0.00 174.74 173.19 3k8d n GLN 73 N 0.03 1.53 -3.70 1.40 1.13 -1.26 -4.98 117.38 111.53 3k8d n GLN 73 Ca 0.04 -1.10 -0.09 0.00 -1.94 0.00 0.00 57.00 53.90 3k8d n GLN 73 Cb 0.41 -1.39 -0.03 0.00 0.11 0.00 0.00 30.24 29.34 3k8d n GLN 73 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3k8d s SER 74 N -2.11 -0.34 0.26 1.08 1.04 -1.26 -5.02 113.70 107.35 3k8d s SER 74 Ca 0.18 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 3k8d s SER 74 Cb 0.16 0.64 0.40 0.00 0.10 0.00 0.00 66.02 67.32 3k8d s SER 74 CO 0.44 -1.13 1.87 1.23 0.98 0.00 0.00 173.24 176.63 3k8d h GLY 75 N 2.08 1.47 1.08 7.32 0.00 -1.95 -1.69 103.07 111.38 3k8d h GLY 75 Ca -0.27 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.52 3k8d h GLY 75 CO 0.33 0.29 -0.01 -0.84 0.00 0.00 0.00 176.54 176.31 3k8d h THR 76 N 1.09 1.27 -0.72 4.70 2.02 -1.99 0.81 112.91 120.09 3k8d h THR 76 Ca 0.42 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 3k8d h THR 76 Cb 0.21 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3k8d h THR 76 CO -0.19 0.42 0.41 -0.33 0.37 0.00 0.00 175.52 176.20 3k8d h GLU 77 N 0.94 1.00 -0.66 6.66 5.08 -1.89 -2.50 114.58 123.21 3k8d h GLU 77 Ca 0.17 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3k8d h GLU 77 Cb 0.57 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3k8d h GLU 77 CO 0.03 0.73 0.22 -0.09 -1.00 0.00 0.00 179.01 178.91 3k8d h ARG 78 N 0.99 1.02 -0.95 2.33 2.43 -0.82 -2.58 114.38 116.79 3k8d h ARG 78 Ca 0.26 -0.21 0.11 0.00 -0.81 0.00 0.00 59.98 59.32 3k8d h ARG 78 Cb 0.01 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 3k8d h ARG 78 CO -0.04 0.88 0.61 -0.07 -1.51 0.00 0.00 179.97 179.83 3k8d h LEU 79 N 0.96 0.87 -1.33 3.80 4.07 -0.53 -2.02 115.31 121.13 3k8d h LEU 79 Ca 0.22 0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.23 3k8d h LEU 79 Cb 0.27 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.83 3k8d h LEU 79 CO -0.01 0.49 0.47 0.00 -1.08 0.00 0.00 178.44 178.30 3k8d h ALA 80 N 1.54 1.55 -0.67 1.53 0.00 -1.03 0.50 119.26 122.67 3k8d h ALA 80 Ca 0.45 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3k8d h ALA 80 Cb 0.45 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3k8d h ALA 80 CO -0.22 0.40 0.23 1.49 0.00 0.00 0.00 179.25 181.15 3k8d h GLU 81 N 0.90 1.03 -0.50 0.00 4.81 -1.39 -1.21 114.58 118.21 3k8d h GLU 81 Ca 0.27 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3k8d h GLU 81 Cb -0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3k8d h GLU 81 CO -0.07 0.88 0.17 0.28 -0.73 0.00 0.00 179.01 179.55 3k8d h VAL 82 N 0.97 1.22 -0.93 0.32 2.07 -1.13 -1.46 116.25 117.31 3k8d h VAL 82 Ca 0.22 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3k8d h VAL 82 Cb 0.27 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 3k8d h VAL 82 CO -0.01 0.27 0.60 0.58 0.02 0.00 0.00 177.57 179.03 3k8d h VAL 83 N 0.68 1.13 -0.22 2.57 2.07 -0.73 0.06 116.25 121.81 3k8d h VAL 83 Ca 0.16 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 3k8d h VAL 83 Cb 0.25 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3k8d h VAL 83 CO -0.01 0.21 -0.17 -0.33 0.02 0.00 0.00 177.57 177.29 3k8d h GLU 84 N 1.14 0.50 -0.71 1.57 5.08 -0.99 -1.21 114.58 119.96 3k8d h GLU 84 Ca 0.38 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3k8d h GLU 84 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3k8d h GLU 84 CO -0.14 0.82 0.25 -0.22 -1.00 0.00 0.00 179.01 178.72 3k8d h LYS 85 N 0.19 1.08 0.00 2.33 1.63 -0.94 -2.67 116.57 118.19 3k8d h LYS 85 Ca 0.04 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 3k8d h LYS 85 Cb 0.70 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 3k8d h LYS 85 CO 0.05 0.91 -0.11 0.00 -3.45 0.00 0.00 179.45 176.85 3k8d n ALA 87 N -1.70 -1.40 -1.72 0.00 0.00 -0.46 -4.94 120.51 110.28 3k8d n ALA 87 Ca 0.06 0.27 -0.39 0.00 0.00 0.00 0.00 53.44 53.38 3k8d n ALA 87 Cb 0.40 -4.78 0.03 0.00 0.00 0.00 0.00 19.45 15.11 3k8d n ALA 87 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k8d n PHE 88 N -4.81 2.18 -1.41 0.00 3.72 -1.18 -4.97 117.46 111.00 3k8d n PHE 88 Ca -0.02 0.45 -0.35 0.00 -0.05 0.00 0.00 57.45 57.48 3k8d n PHE 88 Cb 0.56 -2.36 0.10 0.00 -0.94 0.00 0.00 39.48 36.84 3k8d n PHE 88 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3k8d s SER 89 N -0.79 4.11 0.39 4.37 0.01 -1.26 -4.91 113.70 115.62 3k8d s SER 89 Ca 0.68 2.43 0.08 0.00 1.31 0.00 0.00 55.95 60.45 3k8d s SER 89 Cb -0.44 -2.60 0.83 0.00 0.21 0.00 0.00 66.02 64.03 3k8d s SER 89 CO 0.52 -2.33 1.99 0.44 0.41 0.00 0.00 173.24 174.28 3k8d h ASP 90 N -0.27 0.55 0.02 2.44 3.32 -1.93 -2.29 116.42 118.25 3k8d h ASP 90 Ca -0.48 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3k8d h ASP 90 Cb 1.31 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3k8d h ASP 90 CO 0.49 0.36 -0.01 -0.90 -1.72 0.00 0.00 179.24 177.47 3k8d n ASP 91 N -4.47 0.74 -4.72 6.45 5.68 -1.26 -1.43 116.55 117.54 3k8d n ASP 91 Ca 0.08 -1.21 -0.42 0.00 -0.50 0.00 0.00 54.79 52.74 3k8d n ASP 91 Cb 0.21 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.15 3k8d n ASP 91 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3k8d s THR 92 N -2.03 3.12 -0.19 2.12 2.01 -0.86 -4.82 115.64 114.99 3k8d s THR 92 Ca 0.42 0.81 -0.26 0.00 0.31 0.00 0.00 61.69 62.97 3k8d s THR 92 Cb 0.21 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 3k8d s THR 92 CO 0.36 0.07 0.88 -0.69 -0.69 0.00 0.00 174.62 174.55 3k8d s VAL 93 N 1.03 4.83 -0.10 3.82 1.01 -1.26 -0.86 120.40 128.87 3k8d s VAL 93 Ca 0.65 1.72 -0.00 0.00 0.00 0.00 0.00 61.98 64.35 3k8d s VAL 93 Cb -0.39 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 3k8d s VAL 93 CO 0.31 -0.03 -0.09 -0.63 0.00 0.00 0.00 175.10 174.67 3k8d s ILE 94 N 2.44 3.51 -0.21 2.22 -1.09 -0.17 -1.27 121.20 126.62 3k8d s ILE 94 Ca 0.39 -0.53 -0.02 0.00 -2.23 0.00 0.00 60.65 58.27 3k8d s ILE 94 Cb -0.16 -2.46 0.00 0.00 -1.58 0.00 0.00 42.46 38.26 3k8d s ILE 94 CO 0.11 0.55 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.60 3k8d s VAL 95 N -0.24 2.96 -0.57 2.92 1.01 0.51 -1.26 120.40 125.72 3k8d s VAL 95 Ca 0.03 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 3k8d s VAL 95 Cb -0.13 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.93 3k8d s VAL 95 CO 0.03 0.42 1.14 0.21 0.00 0.00 0.00 175.10 176.89 3k8d s ASN 96 N 1.41 6.43 -0.39 3.32 3.84 0.90 -1.58 114.94 128.86 3k8d s ASN 96 Ca 0.05 0.01 -0.15 0.00 0.21 0.00 0.00 52.86 52.98 3k8d s ASN 96 Cb -0.14 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.04 3k8d s ASN 96 CO -0.06 -1.43 0.30 -0.69 -2.79 0.00 0.00 177.10 172.44 3k8d s VAL 97 N 4.74 5.25 0.50 -5.21 1.01 -1.12 -1.09 120.40 124.47 3k8d s VAL 97 Ca 0.40 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 3k8d s VAL 97 Cb -0.08 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 3k8d s VAL 97 CO 0.24 -0.24 1.28 -1.10 0.00 0.00 0.00 175.10 175.27 3k8d s GLN 98 N 1.75 3.46 0.00 2.72 -0.21 -0.65 -4.22 119.66 122.50 3k8d s GLN 98 Ca 0.06 2.04 0.06 0.00 0.02 0.00 0.00 55.36 57.55 3k8d s GLN 98 Cb -0.18 -2.36 0.27 0.00 1.00 0.00 0.00 33.01 31.74 3k8d s GLN 98 CO 0.11 -0.88 1.16 0.41 -2.12 0.00 0.00 175.29 173.97 3k8d n GLY 99 N 0.60 -0.66 1.58 3.09 0.00 -1.15 -1.86 105.19 106.80 3k8d n GLY 99 Ca 0.09 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.16 3k8d n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k8d n ASP 100 N -1.45 4.71 -3.04 1.61 5.75 -1.26 -4.62 116.55 118.25 3k8d n ASP 100 Ca 0.02 -2.58 -0.26 0.00 -0.01 0.00 0.00 54.79 51.96 3k8d n ASP 100 Cb 0.07 -0.60 -0.05 0.00 -1.03 0.00 0.00 41.12 39.51 3k8d n ASP 100 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3k8d n GLU 101 N 0.82 2.95 0.23 0.11 -0.58 -0.78 -0.68 120.64 122.71 3k8d n GLU 101 Ca 0.24 -4.72 0.16 0.00 -0.42 0.00 0.00 57.16 52.42 3k8d n GLU 101 Cb 0.93 -2.19 0.75 0.00 -0.57 0.00 0.00 31.44 30.36 3k8d n GLU 101 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3k8d h PRO 102 N 3.18 0.00 -0.36 3.49 0.13 -1.85 -2.87 132.00 133.73 3k8d h PRO 102 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3k8d h PRO 102 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3k8d h PRO 102 CO 0.80 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.24 3k8d n MET 103 N -2.65 2.35 -2.06 0.86 2.81 -1.26 -4.55 117.12 112.61 3k8d n MET 103 Ca -0.00 -2.04 -0.42 0.00 -1.81 0.00 0.00 57.70 53.42 3k8d n MET 103 Cb 0.15 -1.36 -0.03 0.00 -0.71 0.00 0.00 33.22 31.28 3k8d n MET 103 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3k8d s ILE 104 N -1.09 3.36 0.50 2.02 2.07 -1.09 -4.92 121.20 122.05 3k8d s ILE 104 Ca 0.29 0.77 -0.21 0.00 -1.41 0.00 0.00 60.65 60.08 3k8d s ILE 104 Cb 0.16 -3.49 -0.07 0.00 0.13 0.00 0.00 42.46 39.19 3k8d s ILE 104 CO 0.22 -0.00 1.15 -2.84 -1.91 0.00 0.00 174.94 171.55 3k8d s PRO 105 N 2.57 3.56 0.39 3.50 0.02 -1.26 -4.85 135.00 138.93 3k8d s PRO 105 Ca 0.69 1.71 0.11 0.00 0.02 0.00 0.00 61.00 63.53 3k8d s PRO 105 Cb -0.36 -2.21 0.90 0.00 0.02 0.00 0.00 34.50 32.85 3k8d s PRO 105 CO 0.29 -0.70 1.91 0.00 -0.33 0.00 0.00 177.00 178.17 3k8d h ALA 106 N 1.64 1.92 -0.50 -1.55 0.00 -1.89 -1.87 119.26 117.01 3k8d h ALA 106 Ca -0.50 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3k8d h ALA 106 Cb 1.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3k8d h ALA 106 CO 0.59 -0.12 0.18 1.79 0.00 0.00 0.00 179.25 181.69 3k8d h THR 107 N 0.59 1.19 -0.48 0.00 1.35 -1.91 -1.56 112.91 112.09 3k8d h THR 107 Ca 0.38 -0.61 -0.12 0.00 -0.55 0.00 0.00 66.41 65.51 3k8d h THR 107 Cb 0.67 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 3k8d h THR 107 CO -0.15 0.24 -0.17 0.40 -0.25 0.00 0.00 175.52 175.59 3k8d h ILE 108 N 0.71 1.27 -0.16 6.82 1.08 -1.72 -0.62 117.51 124.89 3k8d h ILE 108 Ca 0.17 -1.32 0.02 0.00 -0.39 0.00 0.00 64.86 63.34 3k8d h ILE 108 Cb 0.16 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 3k8d h ILE 108 CO -0.01 0.46 0.04 0.40 -0.69 0.00 0.00 178.15 178.34 3k8d h ILE 109 N 0.81 0.94 -0.81 -0.67 2.04 -1.14 -1.80 117.51 116.87 3k8d h ILE 109 Ca 0.11 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3k8d h ILE 109 Cb 0.74 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3k8d h ILE 109 CO 0.06 0.02 0.54 0.03 0.00 0.00 0.00 178.15 178.80 3k8d h ARG 110 N 0.11 1.07 -0.92 2.37 3.08 -1.21 -2.71 114.38 116.17 3k8d h ARG 110 Ca 0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3k8d h ARG 110 Cb 0.06 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 29.82 3k8d h ARG 110 CO -0.09 0.71 0.58 1.96 -1.07 0.00 0.00 179.97 182.06 3k8d h GLN 111 N 1.10 1.23 -0.32 0.04 4.20 -0.71 -0.64 115.11 120.01 3k8d h GLN 111 Ca 0.30 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 3k8d h GLN 111 Cb -0.13 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.38 3k8d h GLN 111 CO -0.06 0.84 -0.20 0.28 -0.67 0.00 0.00 178.83 179.01 3k8d h VAL 112 N 1.26 1.29 -0.44 -0.54 2.07 -1.11 0.15 116.25 118.93 3k8d h VAL 112 Ca 0.33 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.54 3k8d h VAL 112 Cb -0.10 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3k8d h VAL 112 CO -0.07 0.43 0.27 0.00 0.02 0.00 0.00 177.57 178.22 3k8d h ALA 113 N 0.76 0.55 -0.40 1.67 0.00 -1.17 -1.78 119.26 118.89 3k8d h ALA 113 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3k8d h ALA 113 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3k8d h ALA 113 CO 0.06 -0.04 0.06 -0.44 0.00 0.00 0.00 179.25 178.88 3k8d h ASP 114 N 0.54 0.64 -0.73 0.00 3.32 -0.95 -1.87 116.42 117.37 3k8d h ASP 114 Ca 0.17 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 56.99 3k8d h ASP 114 Cb -0.01 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 3k8d h ASP 114 CO -0.07 0.74 0.46 0.78 -1.72 0.00 0.00 179.24 179.43 3k8d h ASN 115 N 0.51 0.75 -0.13 6.45 2.35 -0.84 -0.88 115.58 123.79 3k8d h ASN 115 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3k8d h ASN 115 Cb 0.38 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3k8d h ASN 115 CO 0.01 0.51 0.06 0.25 -1.65 0.00 0.00 177.43 176.62 3k8d h LEU 116 N 0.89 0.17 -1.50 1.61 7.12 -1.16 -2.90 115.31 119.54 3k8d h LEU 116 Ca 0.30 -0.12 -0.04 0.00 0.13 0.00 0.00 57.88 58.14 3k8d h LEU 116 Cb 0.04 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 3k8d h LEU 116 CO -0.12 0.25 -0.21 0.00 -0.13 0.00 0.00 178.44 178.23 3k8d h ALA 117 N 0.93 1.20 -0.00 1.25 0.00 -0.90 -2.61 119.26 119.12 3k8d h ALA 117 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3k8d h ALA 117 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k8d h ALA 117 CO -0.01 0.27 -0.23 1.04 0.00 0.00 0.00 179.25 180.32 3k8d n GLN 118 N -3.64 0.58 -4.45 0.00 6.02 -0.38 -4.90 117.38 110.61 3k8d n GLN 118 Ca -0.01 -0.28 -0.23 0.00 -0.01 0.00 0.00 57.00 56.47 3k8d n GLN 118 Cb 0.34 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.01 3k8d n GLN 118 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k8d s ARG 119 N -2.61 1.61 -0.22 -1.09 0.52 -0.99 -5.01 118.95 111.15 3k8d s ARG 119 Ca 0.23 -1.76 0.07 0.00 -0.52 0.00 0.00 55.73 53.75 3k8d s ARG 119 Cb 0.19 -1.54 0.53 0.00 0.52 0.00 0.00 34.95 34.65 3k8d s ARG 119 CO 0.54 0.23 1.47 0.00 0.02 0.00 0.00 175.30 177.56 3k8d n GLN 120 N -0.59 3.01 -3.26 3.54 -0.00 -1.26 -4.91 117.38 113.91 3k8d n GLN 120 Ca -0.06 -2.14 -0.32 0.00 -0.00 0.00 0.00 57.00 54.48 3k8d n GLN 120 Cb 0.61 -1.95 -0.05 0.00 -0.00 0.00 0.00 30.24 28.85 3k8d n GLN 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3k8d s VAL 121 N -2.24 4.83 -0.26 -0.39 0.11 -1.26 -5.00 120.40 116.18 3k8d s VAL 121 Ca 0.38 0.63 0.18 0.00 -2.93 0.00 0.00 61.98 60.25 3k8d s VAL 121 Cb 0.30 -3.63 0.16 0.00 -1.53 0.00 0.00 36.38 31.69 3k8d s VAL 121 CO 0.10 -0.17 1.49 1.23 -3.33 0.00 0.00 175.10 174.42 3k8d h GLY 122 N 2.27 0.00 -5.36 6.54 0.00 -1.91 -3.46 103.07 101.15 3k8d h GLY 122 Ca -0.47 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 3k8d h GLY 122 CO 0.67 0.00 -0.30 -0.29 0.00 0.00 0.00 176.54 176.62 3k8d s MET 123 N -3.06 0.41 0.08 4.80 -2.45 -1.26 -4.24 119.30 113.58 3k8d s MET 123 Ca 0.05 0.54 0.06 0.00 -1.25 0.00 0.00 55.69 55.09 3k8d s MET 123 Cb 0.07 0.16 -0.03 0.00 1.25 0.00 0.00 34.83 36.28 3k8d s MET 123 CO 0.72 -0.07 -0.17 0.00 1.05 0.00 0.00 175.02 176.55 3k8d s ALA 124 N 0.40 1.43 0.04 4.11 0.00 -0.40 -1.60 121.76 125.75 3k8d s ALA 124 Ca -0.02 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 3k8d s ALA 124 Cb -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3k8d s ALA 124 CO -0.02 0.26 0.07 -2.37 0.00 0.00 0.00 175.76 173.70 3k8d n THR 125 N 1.32 0.00 -3.84 0.00 5.66 0.46 -0.77 114.28 117.11 3k8d n THR 125 Ca -0.20 -0.17 -0.12 0.00 -3.05 0.00 0.00 64.05 60.51 3k8d n THR 125 Cb 0.54 0.12 -0.10 0.00 -1.55 0.00 0.00 70.33 69.34 3k8d n THR 125 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3k8d s LEU 126 N 0.00 1.34 0.12 1.09 0.20 -1.26 -1.39 118.68 118.77 3k8d s LEU 126 Ca 0.03 -0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.76 3k8d s LEU 126 Cb -0.00 0.85 -0.04 0.00 -0.43 0.00 0.00 46.19 46.56 3k8d s LEU 126 CO 0.02 -0.38 -0.00 0.00 -0.29 0.00 0.00 176.35 175.70 3k8d s ALA 127 N -1.29 0.95 0.05 5.97 0.00 0.19 -1.60 121.76 126.03 3k8d s ALA 127 Ca -0.14 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.44 3k8d s ALA 127 Cb -0.07 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 3k8d s ALA 127 CO 0.02 -0.36 -0.10 0.14 0.00 0.00 0.00 175.76 175.46 3k8d s VAL 128 N -3.82 0.78 0.53 0.00 -7.23 -0.34 -1.40 120.40 108.92 3k8d s VAL 128 Ca 0.18 -1.10 -0.22 0.00 -1.81 0.00 0.00 61.98 59.03 3k8d s VAL 128 Cb 0.07 -0.79 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 3k8d s VAL 128 CO -0.02 -0.26 1.37 -2.84 -0.31 0.00 0.00 175.10 173.04 3k8d s PRO 129 N -1.50 3.24 -0.19 4.82 0.02 -1.26 0.16 135.00 140.29 3k8d s PRO 129 Ca -0.05 2.26 -0.09 0.00 0.02 0.00 0.00 61.00 63.13 3k8d s PRO 129 Cb -0.09 -2.33 -0.05 0.00 0.02 0.00 0.00 34.50 32.05 3k8d s PRO 129 CO 0.01 -1.12 0.13 0.42 -0.33 0.00 0.00 177.00 176.11 3k8d s ILE 130 N -1.29 5.38 -0.54 2.83 1.01 -0.45 -4.70 121.20 123.43 3k8d s ILE 130 Ca 0.70 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.57 3k8d s ILE 130 Cb -0.41 -3.44 0.03 0.00 0.01 0.00 0.00 42.46 38.65 3k8d s ILE 130 CO 0.49 0.46 0.63 1.41 0.00 0.00 0.00 174.94 177.93 3k8d n HIS 131 N 3.33 0.00 -4.18 3.97 8.25 -1.26 -4.58 115.22 120.75 3k8d n HIS 131 Ca -0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.13 3k8d n HIS 131 Cb 0.52 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.51 3k8d n HIS 131 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k8d s ASN 132 N -0.39 1.07 0.34 0.41 2.20 -1.26 -4.97 114.94 112.34 3k8d s ASN 132 Ca 0.05 -0.41 0.07 0.00 -0.94 0.00 0.00 52.86 51.63 3k8d s ASN 132 Cb 0.04 -0.04 0.62 0.00 -2.00 0.00 0.00 41.25 39.87 3k8d s ASN 132 CO 0.06 -0.06 1.83 0.00 -2.94 0.00 0.00 177.10 175.99 3k8d h ALA 133 N 5.01 1.33 -0.66 3.54 0.00 -1.92 -2.66 119.26 123.89 3k8d h ALA 133 Ca -0.35 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.35 3k8d h ALA 133 Cb 1.19 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 3k8d h ALA 133 CO 0.44 0.45 0.36 1.49 0.00 0.00 0.00 179.25 181.99 3k8d h GLU 134 N 0.28 0.64 -0.19 0.00 4.81 -1.92 -1.67 114.58 116.54 3k8d h GLU 134 Ca 0.05 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 3k8d h GLU 134 Cb 0.52 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3k8d h GLU 134 CO 0.03 0.42 -0.63 1.49 -0.73 0.00 0.00 179.01 179.60 3k8d h GLU 135 N 0.66 0.67 -0.23 1.92 4.81 -1.87 -2.31 114.58 118.23 3k8d h GLU 135 Ca 0.30 -0.47 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3k8d h GLU 135 Cb 0.21 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3k8d h GLU 135 CO -0.19 1.09 0.16 0.00 -0.73 0.00 0.00 179.01 179.33 3k8d h ALA 136 N 0.80 2.05 -0.59 2.92 0.00 -1.17 -2.43 119.26 120.84 3k8d h ALA 136 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k8d h ALA 136 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3k8d h ALA 136 CO 0.12 -0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.47 3k8d n PHE 137 N -4.49 0.81 -3.26 0.00 3.01 -0.67 -4.45 117.46 108.40 3k8d n PHE 137 Ca 0.02 -0.51 -0.41 0.00 1.01 0.00 0.00 57.45 57.56 3k8d n PHE 137 Cb 0.21 -0.02 -0.08 0.00 -0.01 0.00 0.00 39.48 39.59 3k8d n PHE 137 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3k8d s ASN 138 N -1.00 6.30 0.01 4.37 2.47 -0.89 -4.96 114.94 121.24 3k8d s ASN 138 Ca 0.40 -0.05 0.12 0.00 0.42 0.00 0.00 52.86 53.74 3k8d s ASN 138 Cb 0.21 -2.26 0.51 0.00 -1.45 0.00 0.00 41.25 38.26 3k8d s ASN 138 CO 0.27 -0.46 1.38 -2.65 -3.72 0.00 0.00 177.10 171.92 3k8d n PRO 139 N 5.69 0.01 0.07 0.43 -0.02 -1.26 -0.82 135.00 139.10 3k8d n PRO 139 Ca -0.05 0.31 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 3k8d n PRO 139 Cb 0.49 -1.51 0.39 0.00 -0.02 0.00 0.00 33.50 32.84 3k8d n PRO 139 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k8d n ASN 140 N -1.52 0.60 -4.57 2.55 3.02 -1.26 -4.61 115.26 109.47 3k8d n ASN 140 Ca 0.03 0.39 -0.40 0.00 -0.03 0.00 0.00 54.58 54.57 3k8d n ASN 140 Cb 0.14 -0.44 -0.09 0.00 -0.61 0.00 0.00 39.78 38.78 3k8d n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k8d s ALA 141 N -3.09 3.51 -0.12 5.41 0.00 0.00 -5.03 121.76 122.45 3k8d s ALA 141 Ca 0.10 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.72 3k8d s ALA 141 Cb 0.14 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 3k8d s ALA 141 CO 0.62 -0.96 0.95 0.08 0.00 0.00 0.00 175.76 176.45 3k8d s VAL 142 N 2.08 4.82 0.23 0.00 1.01 -1.26 -4.77 120.40 122.51 3k8d s VAL 142 Ca 0.14 1.92 -0.03 0.00 0.00 0.00 0.00 61.98 64.01 3k8d s VAL 142 Cb -0.16 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 3k8d s VAL 142 CO 0.11 0.02 0.45 -0.54 0.00 0.00 0.00 175.10 175.15 3k8d s LYS 143 N 1.99 3.58 0.00 2.72 3.01 0.22 -0.85 119.74 130.40 3k8d s LYS 143 Ca 0.45 -0.18 0.01 0.00 -1.01 0.00 0.00 55.97 55.25 3k8d s LYS 143 Cb -0.18 -2.77 -0.01 0.00 -1.01 0.00 0.00 37.83 33.87 3k8d s LYS 143 CO 0.17 0.34 -0.04 0.54 0.51 0.00 0.00 175.35 176.86 3k8d s VAL 144 N -1.93 0.31 -0.10 3.17 0.11 -0.98 -1.04 120.40 119.95 3k8d s VAL 144 Ca 0.41 -0.28 0.02 0.00 -2.93 0.00 0.00 61.98 59.20 3k8d s VAL 144 Cb -0.11 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 3k8d s VAL 144 CO 0.29 0.02 -0.16 0.68 -3.33 0.00 0.00 175.10 172.60 3k8d s VAL 145 N -0.26 2.85 0.21 2.04 -7.23 -0.81 -4.35 120.40 112.84 3k8d s VAL 145 Ca -0.00 -0.76 0.07 0.00 -1.81 0.00 0.00 61.98 59.48 3k8d s VAL 145 Cb -0.03 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 3k8d s VAL 145 CO -0.00 0.55 0.08 -0.76 -0.31 0.00 0.00 175.10 174.66 3k8d s LEU 146 N 0.02 3.55 0.00 1.32 1.43 -1.26 -0.50 118.68 123.23 3k8d s LEU 146 Ca -0.05 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3k8d s LEU 146 Cb -0.15 -2.14 0.11 0.00 0.03 0.00 0.00 46.19 44.05 3k8d s LEU 146 CO 0.04 0.04 0.72 -0.90 0.23 0.00 0.00 176.35 176.48 3k8d n ASP 147 N -0.57 0.72 0.25 2.29 5.68 0.24 -4.77 116.55 120.39 3k8d n ASP 147 Ca -0.08 -1.67 0.09 0.00 -0.50 0.00 0.00 54.79 52.63 3k8d n ASP 147 Cb 0.56 -0.49 0.64 0.00 -1.14 0.00 0.00 41.12 40.69 3k8d n ASP 147 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k8d h ALA 148 N -0.84 1.66 -0.10 2.12 0.00 -2.01 -1.92 119.26 118.16 3k8d h ALA 148 Ca -0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3k8d h ALA 148 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3k8d h ALA 148 CO 0.23 0.13 0.00 0.39 0.00 0.00 0.00 179.25 180.00 3k8d n GLU 149 N -4.16 1.82 -0.59 0.00 1.02 -1.26 -4.94 120.64 112.51 3k8d n GLU 149 Ca -0.03 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 3k8d n GLU 149 Cb 0.19 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3k8d n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k8d n GLY 150 N 1.20 0.75 3.81 0.62 0.00 -0.72 -4.96 105.19 105.88 3k8d n GLY 150 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3k8d n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k8d s TYR 151 N -2.56 3.38 0.09 1.61 2.02 -1.26 -1.16 117.35 119.48 3k8d s TYR 151 Ca 0.00 1.64 -0.31 0.00 -0.37 0.00 0.00 57.07 58.04 3k8d s TYR 151 Cb 0.00 -2.87 -0.07 0.00 -0.40 0.00 0.00 41.96 38.62 3k8d s TYR 151 CO 0.00 -0.05 1.29 0.00 -1.57 0.00 0.00 175.55 175.22 3k8d s ALA 152 N -2.06 3.49 -0.03 3.71 0.00 -0.20 -0.59 121.76 126.07 3k8d s ALA 152 Ca 0.60 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 53.34 3k8d s ALA 152 Cb -0.11 -3.49 -0.33 0.00 0.00 0.00 0.00 23.12 19.20 3k8d s ALA 152 CO 0.15 -0.52 0.92 -0.07 0.00 0.00 0.00 175.76 176.24 3k8d h LEU 153 N 6.70 0.57 -7.00 0.00 3.38 -1.10 -3.44 115.31 114.42 3k8d h LEU 153 Ca -0.42 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 56.61 3k8d h LEU 153 Cb 1.21 -0.19 -0.20 0.00 0.09 0.00 0.00 40.66 41.57 3k8d h LEU 153 CO 0.83 1.48 0.34 -0.47 0.09 0.00 0.00 178.44 180.72 3k8d s TYR 154 N -2.47 -0.53 -0.01 1.13 5.04 -1.20 -5.04 117.35 114.26 3k8d s TYR 154 Ca -0.12 0.90 0.07 0.00 -2.44 0.00 0.00 57.07 55.47 3k8d s TYR 154 Cb 0.02 0.43 -0.02 0.00 0.35 0.00 0.00 41.96 42.73 3k8d s TYR 154 CO 0.86 -0.50 -0.22 -0.06 -1.34 0.00 0.00 175.55 174.29 3k8d s PHE 155 N -1.23 2.47 0.05 4.97 0.08 -1.26 -1.93 117.98 121.12 3k8d s PHE 155 Ca -0.07 -0.33 -0.18 0.00 0.12 0.00 0.00 56.93 56.47 3k8d s PHE 155 Cb -0.00 -1.52 0.04 0.00 -0.57 0.00 0.00 43.02 40.97 3k8d s PHE 155 CO 0.06 0.09 0.42 0.45 -0.10 0.00 0.00 175.22 176.14 3k8d s SER 156 N -0.84 -0.30 0.05 1.36 0.15 -0.21 -4.99 113.70 108.93 3k8d s SER 156 Ca 0.11 0.01 0.28 0.00 0.70 0.00 0.00 55.95 57.05 3k8d s SER 156 Cb -0.10 0.43 1.07 0.00 -1.71 0.00 0.00 66.02 65.71 3k8d s SER 156 CO 0.01 -0.67 1.85 0.54 1.20 0.00 0.00 173.24 176.16 3k8d n ARG 157 N 0.49 0.07 -1.84 5.44 1.74 -1.26 -0.61 116.66 120.68 3k8d n ARG 157 Ca -0.18 0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.65 3k8d n ARG 157 Cb 0.60 -1.58 0.05 0.00 -1.02 0.00 0.00 32.46 30.52 3k8d n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k8d s ALA 158 N -3.03 2.80 -0.98 7.54 0.00 -1.26 -4.15 121.76 122.69 3k8d s ALA 158 Ca 0.13 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 3k8d s ALA 158 Cb 0.17 -3.03 0.07 0.00 0.00 0.00 0.00 23.12 20.33 3k8d s ALA 158 CO 0.56 -1.24 1.34 0.99 0.00 0.00 0.00 175.76 177.41 3k8d s THR 159 N -3.34 4.17 0.08 0.00 2.01 -1.26 -4.60 115.64 112.69 3k8d s THR 159 Ca 0.59 -0.96 0.10 0.00 0.31 0.00 0.00 61.69 61.72 3k8d s THR 159 Cb -0.11 -4.96 -0.03 0.00 0.01 0.00 0.00 72.50 67.40 3k8d s THR 159 CO 0.52 -1.80 -0.26 0.27 -0.69 0.00 0.00 174.62 172.66 3k8d s ILE 160 N 4.29 2.13 0.33 1.82 -4.36 -1.26 -3.35 121.20 120.80 3k8d s ILE 160 Ca 0.41 -1.52 -0.28 0.00 -0.26 0.00 0.00 60.65 59.00 3k8d s ILE 160 Cb -0.02 -1.86 -0.09 0.00 1.25 0.00 0.00 42.46 41.74 3k8d s ILE 160 CO -0.09 0.23 1.18 -2.16 0.24 0.00 0.00 174.94 174.35 3k8d s PRO 161 N -1.57 4.39 0.04 0.37 0.04 -1.26 -4.60 135.00 132.40 3k8d s PRO 161 Ca 0.12 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 3k8d s PRO 161 Cb -0.10 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 3k8d s PRO 161 CO 0.04 -0.06 1.20 -0.46 0.04 0.00 0.00 177.00 177.76 3k8d s TRP 162 N -1.23 3.38 -0.71 0.56 -0.11 -1.21 -4.98 118.94 114.63 3k8d s TRP 162 Ca 0.49 1.28 -0.20 0.00 1.22 0.00 0.00 56.10 58.89 3k8d s TRP 162 Cb -0.34 -3.42 0.10 0.00 -1.50 0.00 0.00 33.47 28.31 3k8d s TRP 162 CO 0.44 -1.29 0.92 0.34 -4.62 0.00 0.00 176.95 172.73 3k8d s ASP 163 N 1.17 6.31 0.10 5.86 -1.08 -1.26 -4.94 116.67 122.83 3k8d s ASP 163 Ca 0.58 -1.46 -0.31 0.00 -0.52 0.00 0.00 52.55 50.85 3k8d s ASP 163 Cb -0.28 -2.37 -0.12 0.00 -1.46 0.00 0.00 42.92 38.69 3k8d s ASP 163 CO 0.28 -1.21 1.61 -0.09 0.52 0.00 0.00 175.17 176.28 3k8d h ARG 164 N 9.20 -0.66 -0.43 4.34 2.43 -1.98 -1.37 114.38 125.90 3k8d h ARG 164 Ca -0.16 0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.91 3k8d h ARG 164 Cb 1.06 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3k8d h ARG 164 CO 1.12 -0.44 -0.30 -0.44 -1.51 0.00 0.00 179.97 178.40 3k8d h ASP 165 N -0.69 1.01 -0.30 -3.80 3.32 -2.00 -1.58 116.42 112.38 3k8d h ASP 165 Ca -0.01 -0.43 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 3k8d h ASP 165 Cb 0.64 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3k8d h ASP 165 CO -0.10 1.23 -0.08 -0.09 -1.72 0.00 0.00 179.24 178.48 3k8d h ARG 166 N 0.80 0.58 0.00 3.56 2.43 -1.92 -3.19 114.38 116.64 3k8d h ARG 166 Ca 0.08 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3k8d h ARG 166 Cb 0.89 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3k8d h ARG 166 CO 0.08 0.77 0.00 0.74 -1.51 0.00 0.00 179.97 180.06 3k8d h PHE 167 N 0.34 0.00 -0.09 2.20 0.04 -1.21 -2.47 116.94 115.75 3k8d h PHE 167 Ca 0.07 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 3k8d h PHE 167 Cb 0.56 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 3k8d h PHE 167 CO 0.05 0.00 -0.40 0.00 -0.60 0.00 0.00 178.31 177.36 3k8d h ALA 168 N 2.42 1.17 0.22 2.45 0.00 -1.28 -3.24 119.26 121.00 3k8d h ALA 168 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3k8d h ALA 168 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3k8d h ALA 168 CO 0.00 0.57 -0.11 0.93 0.00 0.00 0.00 179.25 180.64 3k8d h GLU 169 N 0.16 -0.29 -1.55 0.00 4.39 -1.47 -3.50 114.58 112.32 3k8d h GLU 169 Ca 0.02 0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.04 3k8d h GLU 169 Cb 0.78 0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 29.38 3k8d h GLU 169 CO 0.06 0.09 0.79 0.20 -1.16 0.00 0.00 179.01 178.98 3k8d s GLY 170 N -3.14 -0.39 -0.14 -3.84 0.00 -1.01 -5.06 107.32 93.73 3k8d s GLY 170 Ca -0.12 0.66 0.15 0.00 0.00 0.00 0.00 44.72 45.41 3k8d s GLY 170 CO 0.45 0.12 1.46 1.04 0.00 0.00 0.00 173.10 176.17 3k8d n LEU 171 N -0.47 4.08 -0.22 0.66 4.32 -1.26 -4.03 117.00 120.07 3k8d n LEU 171 Ca -0.08 -2.73 0.12 0.00 -0.02 0.00 0.00 56.01 53.30 3k8d n LEU 171 Cb 0.62 -0.51 0.19 0.00 -1.62 0.00 0.00 43.42 42.11 3k8d n LEU 171 CO 0.12 0.70 0.43 -1.84 -1.22 0.00 0.00 177.39 175.58 3k8d n GLU 172 N 0.07 0.63 -4.10 3.23 0.00 -1.26 -4.91 120.64 114.29 3k8d n GLU 172 Ca 0.21 -0.44 -0.11 0.00 0.00 0.00 0.00 57.16 56.82 3k8d n GLU 172 Cb 0.85 -1.49 -0.11 0.00 0.00 0.00 0.00 31.44 30.69 3k8d n GLU 172 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 3k8d s THR 173 N -2.67 0.53 0.04 3.84 -4.23 -1.26 -4.74 115.64 107.15 3k8d s THR 173 Ca 0.18 -1.49 0.03 0.00 -1.18 0.00 0.00 61.69 59.23 3k8d s THR 173 Cb 0.18 -1.11 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 3k8d s THR 173 CO 0.62 -0.66 -0.10 0.68 -0.54 0.00 0.00 174.62 174.62 3k8d s VAL 174 N -2.57 0.72 0.00 2.29 -7.23 -1.26 -4.95 120.40 107.39 3k8d s VAL 174 Ca 0.00 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 3k8d s VAL 174 Cb -0.02 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.19 3k8d s VAL 174 CO -0.03 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 3k8d n GLY 175 N 1.59 -1.57 2.75 2.32 0.00 -1.26 -4.96 105.19 104.07 3k8d n GLY 175 Ca -0.21 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 3k8d n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k8d n ASP 176 N -0.48 6.41 -0.27 1.61 9.92 -1.26 -4.56 116.55 127.92 3k8d n ASP 176 Ca 0.00 -3.74 0.00 0.00 -0.53 0.00 0.00 54.79 50.52 3k8d n ASP 176 Cb 0.00 -0.90 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 3k8d n ASP 176 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3k8d n ASN 177 N -0.31 0.00 -4.89 -2.24 6.94 -1.26 -5.08 115.26 108.43 3k8d n ASN 177 Ca 0.45 -1.52 -0.35 0.00 -0.02 0.00 0.00 54.58 53.14 3k8d n ASN 177 Cb 0.34 -0.10 -0.05 0.00 -2.36 0.00 0.00 39.78 37.61 3k8d n ASN 177 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3k8d s PHE 178 N 0.00 3.58 -0.07 -2.53 0.40 -1.26 -4.69 117.98 113.40 3k8d s PHE 178 Ca 0.00 0.52 0.03 0.00 -0.60 0.00 0.00 56.93 56.88 3k8d s PHE 178 Cb 0.00 -1.94 0.01 0.00 0.51 0.00 0.00 43.02 41.59 3k8d s PHE 178 CO 0.00 0.64 -0.16 -0.51 0.70 0.00 0.00 175.22 175.89 3k8d s LEU 179 N -1.69 1.80 -0.21 -0.37 1.43 -1.26 -1.35 118.68 117.03 3k8d s LEU 179 Ca 0.26 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 3k8d s LEU 179 Cb -0.13 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 3k8d s LEU 179 CO 0.15 0.08 0.33 -0.60 0.23 0.00 0.00 176.35 176.54 3k8d s ARG 180 N 0.50 4.16 0.02 1.70 3.52 0.12 -2.32 118.95 126.66 3k8d s ARG 180 Ca -0.15 0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.22 3k8d s ARG 180 Cb -0.16 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 3k8d s ARG 180 CO 0.05 0.02 1.07 -1.58 -0.81 0.00 0.00 175.30 174.05 3k8d s HIS 181 N 1.15 3.56 0.31 5.12 5.65 -0.03 -1.20 115.29 129.85 3k8d s HIS 181 Ca 0.16 1.53 -0.17 0.00 0.25 0.00 0.00 55.06 56.83 3k8d s HIS 181 Cb -0.14 -3.25 -0.09 0.00 -1.18 0.00 0.00 32.58 27.92 3k8d s HIS 181 CO 0.07 -0.54 0.76 -0.51 -0.65 0.00 0.00 174.74 173.86 3k8d s LEU 182 N 1.05 4.12 -1.47 8.88 1.02 -0.63 -4.69 118.68 126.97 3k8d s LEU 182 Ca 0.55 1.36 -0.13 0.00 0.02 0.00 0.00 54.13 55.93 3k8d s LEU 182 Cb -0.24 -4.01 -0.02 0.00 0.02 0.00 0.00 46.19 41.94 3k8d s LEU 182 CO 0.28 -0.16 2.49 0.61 0.02 0.00 0.00 176.35 179.59 3k8d n GLY 183 N -0.12 4.21 3.12 -3.19 0.00 -1.26 -4.71 105.19 103.23 3k8d n GLY 183 Ca 0.02 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 3k8d n GLY 183 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3k8d s ILE 184 N 2.92 -0.01 -0.01 -0.61 2.07 -1.26 -1.63 121.20 122.66 3k8d s ILE 184 Ca 0.56 0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.88 3k8d s ILE 184 Cb 0.15 -0.38 -0.00 0.00 0.13 0.00 0.00 42.46 42.36 3k8d s ILE 184 CO -0.07 0.02 -0.09 -0.31 -1.91 0.00 0.00 174.94 172.59 3k8d s TYR 185 N 0.57 0.81 -0.15 3.50 1.51 -0.25 -4.41 117.35 118.93 3k8d s TYR 185 Ca -0.04 -0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 55.82 3k8d s TYR 185 Cb -0.05 -0.54 -0.03 0.00 -0.11 0.00 0.00 41.96 41.23 3k8d s TYR 185 CO -0.03 -0.04 -0.02 0.20 -1.11 0.00 0.00 175.55 174.55 3k8d s GLY 186 N -0.07 1.76 -0.07 0.71 0.00 0.05 -0.07 107.32 109.62 3k8d s GLY 186 Ca 0.01 -0.81 -0.28 0.00 0.00 0.00 0.00 44.72 43.65 3k8d s GLY 186 CO -0.00 -0.15 0.62 -2.52 0.00 0.00 0.00 173.10 171.05 3k8d s TYR 187 N 0.14 -0.59 0.59 1.90 -0.85 -0.39 -1.27 117.35 116.88 3k8d s TYR 187 Ca -0.00 1.07 -0.15 0.00 -0.52 0.00 0.00 57.07 57.46 3k8d s TYR 187 Cb -0.13 0.34 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 3k8d s TYR 187 CO 0.02 -0.55 1.05 1.03 -1.52 0.00 0.00 175.55 175.58 3k8d s ARG 188 N -1.03 3.38 0.36 -3.49 0.52 -1.26 -1.00 118.95 116.42 3k8d s ARG 188 Ca -0.10 1.13 0.08 0.00 -0.52 0.00 0.00 55.73 56.32 3k8d s ARG 188 Cb -0.01 -2.04 0.80 0.00 0.52 0.00 0.00 34.95 34.21 3k8d s ARG 188 CO 0.08 -0.75 1.89 0.00 0.02 0.00 0.00 175.30 176.54 3k8d h ALA 189 N 0.38 1.80 -0.23 2.13 0.00 -0.87 -0.99 119.26 121.48 3k8d h ALA 189 Ca -0.46 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 3k8d h ALA 189 Cb 1.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3k8d h ALA 189 CO 0.58 -0.01 -0.19 0.78 0.00 0.00 0.00 179.25 180.41 3k8d h GLY 190 N 0.71 0.44 1.11 0.00 0.00 -1.48 -1.91 103.07 101.94 3k8d h GLY 190 Ca 0.42 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.29 3k8d h GLY 190 CO -0.18 0.29 -0.28 -2.75 0.00 0.00 0.00 176.54 173.63 3k8d h PHE 191 N 0.37 1.14 -0.91 5.60 3.57 -1.45 -1.92 116.94 123.33 3k8d h PHE 191 Ca 0.06 -0.30 0.01 0.00 3.53 0.00 0.00 57.97 61.28 3k8d h PHE 191 Cb 0.54 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 3k8d h PHE 191 CO 0.01 1.13 0.60 0.82 -2.23 0.00 0.00 178.31 178.64 3k8d h ILE 192 N 0.82 1.22 -0.52 1.41 2.04 -1.01 0.14 117.51 121.60 3k8d h ILE 192 Ca 0.09 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3k8d h ILE 192 Cb 0.86 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3k8d h ILE 192 CO 0.08 0.22 0.30 0.03 0.00 0.00 0.00 178.15 178.78 3k8d h ARG 193 N 1.22 0.72 -0.81 2.37 3.08 -1.22 -2.48 114.38 117.26 3k8d h ARG 193 Ca 0.34 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3k8d h ARG 193 Cb -0.13 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.74 3k8d h ARG 193 CO -0.08 0.54 0.45 -0.09 -1.07 0.00 0.00 179.97 179.73 3k8d h ARG 194 N 0.70 1.13 -0.39 0.04 2.43 -0.74 -2.50 114.38 115.05 3k8d h ARG 194 Ca 0.19 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3k8d h ARG 194 Cb 0.02 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 3k8d h ARG 194 CO -0.03 0.83 0.13 -0.92 -1.51 0.00 0.00 179.97 178.47 3k8d h TYR 195 N 1.13 0.24 0.00 2.20 5.03 -0.31 -2.14 116.97 123.11 3k8d h TYR 195 Ca 0.29 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.62 3k8d h TYR 195 Cb 0.02 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.25 3k8d h TYR 195 CO 0.00 0.09 -0.00 1.33 -1.32 0.00 0.00 178.16 178.26 3k8d n VAL 196 N -5.02 0.29 0.19 1.81 0.24 -0.98 -2.74 118.33 112.11 3k8d n VAL 196 Ca 0.02 -0.14 0.08 0.00 -2.04 0.00 0.00 64.34 62.26 3k8d n VAL 196 Cb 0.14 -0.54 0.15 0.00 -1.47 0.00 0.00 33.84 32.13 3k8d n VAL 196 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3k8d h ASN 197 N 0.00 0.00 -3.95 -1.34 2.35 -0.94 -3.45 115.58 108.25 3k8d h ASN 197 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 3k8d h ASN 197 Cb 0.62 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.06 3k8d h ASN 197 CO 0.00 0.24 0.56 0.26 -1.65 0.00 0.00 177.43 176.84 3k8d s TRP 198 N -3.16 2.91 0.45 1.19 0.51 -1.01 -5.02 118.94 114.82 3k8d s TRP 198 Ca 0.05 1.48 -0.24 0.00 -2.12 0.00 0.00 56.10 55.27 3k8d s TRP 198 Cb 0.07 -3.54 -0.07 0.00 -0.81 0.00 0.00 33.47 29.12 3k8d s TRP 198 CO 0.69 -1.74 1.28 -0.65 -0.51 0.00 0.00 176.95 176.02 3k8d s GLN 199 N -2.31 3.71 0.42 4.98 -1.52 -1.26 -4.96 119.66 118.71 3k8d s GLN 199 Ca 0.58 2.07 -0.26 0.00 -1.95 0.00 0.00 55.36 55.80 3k8d s GLN 199 Cb -0.34 -2.54 -0.10 0.00 -0.22 0.00 0.00 33.01 29.81 3k8d s GLN 199 CO 0.43 -0.68 1.26 -2.30 -0.25 0.00 0.00 175.29 173.76 3k8d n PRO 200 N -0.32 1.92 -2.80 2.91 -0.02 -1.26 -4.99 135.00 130.45 3k8d n PRO 200 Ca 0.06 0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 61.90 3k8d n PRO 200 Cb 0.45 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 3k8d n PRO 200 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3k8d s SER 201 N -0.53 6.79 0.30 2.55 1.04 -1.26 -4.97 113.70 117.63 3k8d s SER 201 Ca 0.61 1.52 0.03 0.00 0.48 0.00 0.00 55.95 58.58 3k8d s SER 201 Cb -0.51 -2.47 0.48 0.00 0.10 0.00 0.00 66.02 63.61 3k8d s SER 201 CO 0.58 -0.38 1.79 1.55 0.98 0.00 0.00 173.24 177.76 3k8d h PRO 202 N 1.70 0.55 -0.58 4.02 0.13 -1.99 -3.22 132.00 132.61 3k8d h PRO 202 Ca -0.48 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3k8d h PRO 202 Cb 1.18 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 3k8d h PRO 202 CO 0.62 0.65 0.37 1.25 -0.23 0.00 0.00 178.00 180.66 3k8d h LEU 203 N 0.51 0.68 -1.54 1.56 5.85 -1.95 -2.70 115.31 117.73 3k8d h LEU 203 Ca 0.10 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3k8d h LEU 203 Cb 0.49 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3k8d h LEU 203 CO 0.03 0.52 -0.02 1.05 -0.34 0.00 0.00 178.44 179.68 3k8d h GLU 204 N 0.78 0.27 0.00 1.25 4.11 -1.79 -2.51 114.58 116.70 3k8d h GLU 204 Ca 0.21 -0.04 -0.14 0.00 0.07 0.00 0.00 59.36 59.45 3k8d h GLU 204 Cb -0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3k8d h GLU 204 CO -0.04 0.32 -0.68 0.45 0.07 0.00 0.00 179.01 179.13 3k8d h HIS 205 N 0.27 0.00 0.29 2.06 3.86 -1.59 0.46 115.15 120.50 3k8d h HIS 205 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3k8d h HIS 205 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3k8d h HIS 205 CO 0.00 0.68 -0.14 0.82 0.86 0.00 0.00 177.93 180.15 3k8d h ILE 206 N 0.00 0.48 0.00 2.45 2.04 -1.24 -3.29 117.51 117.95 3k8d h ILE 206 Ca -0.01 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3k8d h ILE 206 Cb 1.43 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3k8d h ILE 206 CO 0.09 0.12 0.00 -0.33 0.00 0.00 0.00 178.15 178.02 3k8d h GLU 207 N -0.97 0.00 -5.81 2.37 4.39 -1.58 -3.47 114.58 109.51 3k8d h GLU 207 Ca -0.04 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.30 3k8d h GLU 207 Cb 0.49 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.26 3k8d h GLU 207 CO 0.07 0.00 -0.81 -1.33 -1.16 0.00 0.00 179.01 175.78 3k8d n MET 208 N -2.68 -5.28 -3.73 2.33 2.81 0.10 -4.87 117.12 105.80 3k8d n MET 208 Ca 0.03 0.75 -0.29 0.00 -1.81 0.00 0.00 57.70 56.39 3k8d n MET 208 Cb 0.38 -5.54 -0.16 0.00 -0.71 0.00 0.00 33.22 27.19 3k8d n MET 208 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3k8d s LEU 209 N -6.37 1.58 0.51 4.03 1.43 -0.89 -5.03 118.68 113.94 3k8d s LEU 209 Ca 0.07 -1.15 0.22 0.00 -1.03 0.00 0.00 54.13 52.24 3k8d s LEU 209 Cb -0.01 -0.71 1.36 0.00 0.03 0.00 0.00 46.19 46.86 3k8d s LEU 209 CO 0.77 -0.35 2.09 1.05 0.23 0.00 0.00 176.35 180.14 3k8d h GLU 210 N 8.19 0.00 0.00 1.70 4.11 -1.95 -2.38 114.58 124.24 3k8d h GLU 210 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 3k8d h GLU 210 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3k8d h GLU 210 CO 0.39 0.10 0.00 -0.56 0.07 0.00 0.00 179.01 179.02 3k8d h GLN 211 N 0.00 0.00 0.00 1.06 -0.00 -1.96 -2.71 115.11 111.49 3k8d h GLN 211 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 3k8d h GLN 211 Cb 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.70 3k8d h GLN 211 CO 0.01 0.00 -0.03 -0.07 -0.00 0.00 0.00 178.83 178.75 3k8d h LEU 212 N 0.00 0.00 -0.93 0.06 3.38 -1.82 -2.40 115.31 113.59 3k8d h LEU 212 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3k8d h LEU 212 Cb 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3k8d h LEU 212 CO 0.00 0.03 0.60 -0.09 0.09 0.00 0.00 178.44 179.07 3k8d h ARG 213 N 0.00 1.10 -0.15 1.13 2.43 -1.69 -0.19 114.38 117.01 3k8d h ARG 213 Ca -0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3k8d h ARG 213 Cb 0.36 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3k8d h ARG 213 CO 0.00 0.73 0.06 0.28 -1.51 0.00 0.00 179.97 179.53 3k8d h VAL 214 N 1.13 1.15 -0.51 0.20 2.07 -1.64 -2.28 116.25 116.37 3k8d h VAL 214 Ca 0.39 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3k8d h VAL 214 Cb 0.08 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3k8d h VAL 214 CO -0.15 0.14 -0.02 -0.07 0.02 0.00 0.00 177.57 177.49 3k8d h LEU 215 N 0.09 0.86 -0.99 2.57 3.38 -1.52 -2.11 115.31 117.58 3k8d h LEU 215 Ca 0.05 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.86 3k8d h LEU 215 Cb 0.17 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 3k8d h LEU 215 CO -0.00 0.93 0.63 -0.25 0.09 0.00 0.00 178.44 179.84 3k8d h TRP 216 N 0.81 1.17 -0.31 1.13 2.91 -0.81 -1.36 115.95 119.50 3k8d h TRP 216 Ca 0.15 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.20 3k8d h TRP 216 Cb 0.52 -0.38 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 3k8d h TRP 216 CO 0.03 0.59 0.00 0.66 -1.03 0.00 0.00 178.44 178.69 3k8d n TYR 217 N -4.53 0.57 -1.04 2.65 4.01 -0.88 -4.91 117.16 113.04 3k8d n TYR 217 Ca 0.15 -0.25 -0.01 0.00 -0.16 0.00 0.00 57.90 57.63 3k8d n TYR 217 Cb 0.20 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 3k8d n TYR 217 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k8d n GLY 218 N 0.81 0.51 3.91 2.72 0.00 -0.51 -5.04 105.19 107.59 3k8d n GLY 218 Ca 0.11 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 3k8d n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k8d s GLU 219 N -1.43 3.60 0.26 1.61 0.41 -0.82 -5.02 118.70 117.31 3k8d s GLU 219 Ca 0.00 -0.13 -0.12 0.00 -0.41 0.00 0.00 54.97 54.31 3k8d s GLU 219 Cb 0.00 -2.77 -0.08 0.00 -1.78 0.00 0.00 34.13 29.50 3k8d s GLU 219 CO 0.00 0.36 0.62 0.15 -0.49 0.00 0.00 175.26 175.90 3k8d s LYS 220 N -3.16 3.90 -0.16 1.61 1.02 -1.26 -4.08 119.74 117.61 3k8d s LYS 220 Ca 0.41 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.86 3k8d s LYS 220 Cb -0.11 -2.60 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 3k8d s LYS 220 CO 0.27 0.27 -0.13 0.42 -0.92 0.00 0.00 175.35 175.26 3k8d s ILE 221 N -1.84 1.58 0.07 2.17 1.01 -1.26 -4.03 121.20 118.89 3k8d s ILE 221 Ca 0.49 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 60.21 3k8d s ILE 221 Cb -0.11 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.78 3k8d s ILE 221 CO 0.20 0.41 0.72 -2.28 0.00 0.00 0.00 174.94 173.98 3k8d s HIS 222 N 1.48 3.77 -0.25 3.97 5.65 -0.63 -1.03 115.29 128.25 3k8d s HIS 222 Ca 0.04 1.45 0.03 0.00 0.25 0.00 0.00 55.06 56.83 3k8d s HIS 222 Cb -0.13 -2.74 0.06 0.00 -1.18 0.00 0.00 32.58 28.58 3k8d s HIS 222 CO -0.10 0.37 -0.12 0.08 -0.65 0.00 0.00 174.74 174.32 3k8d s VAL 223 N -0.43 2.17 0.44 0.89 1.01 -0.31 -0.41 120.40 123.76 3k8d s VAL 223 Ca 0.36 -1.58 -0.19 0.00 0.00 0.00 0.00 61.98 60.57 3k8d s VAL 223 Cb -0.21 -2.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.83 3k8d s VAL 223 CO 0.22 0.02 0.93 0.00 0.00 0.00 0.00 175.10 176.28 3k8d s ALA 224 N 1.12 3.08 -0.18 5.51 0.00 -0.48 -4.81 121.76 126.00 3k8d s ALA 224 Ca -0.08 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 3k8d s ALA 224 Cb -0.19 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 3k8d s ALA 224 CO -0.06 0.05 -0.10 0.08 0.00 0.00 0.00 175.76 175.74 3k8d s VAL 225 N -2.28 3.11 -0.11 0.00 1.01 -1.26 -0.63 120.40 120.23 3k8d s VAL 225 Ca 0.60 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 3k8d s VAL 225 Cb -0.09 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3k8d s VAL 225 CO 0.19 0.48 0.04 0.00 0.00 0.00 0.00 175.10 175.80 3k8d s ALA 226 N 0.97 3.41 0.10 5.51 0.00 -0.49 -4.97 121.76 126.29 3k8d s ALA 226 Ca -0.01 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 51.05 3k8d s ALA 226 Cb -0.15 -1.65 -0.14 0.00 0.00 0.00 0.00 23.12 21.19 3k8d s ALA 226 CO -0.01 0.52 1.32 1.96 0.00 0.00 0.00 175.76 179.55 3k8d h GLN 227 N 5.43 0.78 -3.74 0.00 1.08 -1.99 -3.36 115.11 113.30 3k8d h GLN 227 Ca -0.49 -0.59 -0.46 0.00 -1.45 0.00 0.00 58.65 55.67 3k8d h GLN 227 Cb 1.20 0.11 -0.38 0.00 -0.05 0.00 0.00 27.48 28.35 3k8d h GLN 227 CO 0.58 1.20 -0.77 -1.21 -0.95 0.00 0.00 178.83 177.68 3k8d s GLU 228 N -3.86 0.72 -0.23 1.46 0.41 -1.26 -4.53 118.70 111.42 3k8d s GLU 228 Ca -0.11 -0.02 -0.04 0.00 -0.41 0.00 0.00 54.97 54.39 3k8d s GLU 228 Cb 0.09 -1.23 0.08 0.00 -1.78 0.00 0.00 34.13 31.29 3k8d s GLU 228 CO 0.89 -0.35 0.12 0.08 -0.49 0.00 0.00 175.26 175.50 3k8d s VAL 229 N 1.92 -0.09 0.72 2.63 1.01 -1.26 -5.14 120.40 120.20 3k8d s VAL 229 Ca 0.04 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 3k8d s VAL 229 Cb -0.13 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.51 3k8d s VAL 229 CO -0.06 -0.49 1.19 -2.84 0.00 0.00 0.00 175.10 172.90 3k8d s PRO 230 N 2.13 2.23 0.64 2.72 0.02 -1.26 -4.84 135.00 136.63 3k8d s PRO 230 Ca 0.06 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.77 3k8d s PRO 230 Cb -0.16 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3k8d s PRO 230 CO -0.22 -1.75 0.00 0.41 -0.33 0.00 0.00 177.00 175.10 3k8d n GLY 231 N 0.24 -1.80 3.62 0.52 0.00 -1.26 -4.88 105.19 101.63 3k8d n GLY 231 Ca 0.13 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.32 3k8d n GLY 231 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k8d s THR 232 N 0.00 0.00 0.75 2.61 -1.32 -1.26 -5.14 115.64 111.27 3k8d s THR 232 Ca 0.00 -0.37 -0.11 0.00 -1.21 0.00 0.00 61.69 60.00 3k8d s THR 232 Cb 0.00 -1.45 0.04 0.00 -1.51 0.00 0.00 72.50 69.58 3k8d s THR 232 CO 0.00 0.00 1.08 -0.83 -2.21 0.00 0.00 174.62 172.66 3k8d s GLY 233 N -2.76 1.66 -0.51 6.08 0.00 -1.26 -4.71 107.32 105.82 3k8d s GLY 233 Ca 0.07 0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.83 3k8d s GLY 233 CO -0.04 0.43 0.32 0.14 0.00 0.00 0.00 173.10 173.95 3k8d s VAL 234 N -3.02 3.59 -0.01 1.40 1.01 0.14 -4.85 120.40 118.67 3k8d s VAL 234 Ca 0.60 -2.40 0.03 0.00 0.00 0.00 0.00 61.98 60.21 3k8d s VAL 234 Cb -0.15 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3k8d s VAL 234 CO 0.55 -0.78 0.07 0.47 0.00 0.00 0.00 175.10 175.41 3k8d n ASP 235 N 4.17 4.03 -4.33 3.32 8.00 -1.26 -4.81 116.55 125.68 3k8d n ASP 235 Ca 0.01 -0.04 -0.17 0.00 0.71 0.00 0.00 54.79 55.31 3k8d n ASP 235 Cb 0.40 1.13 -0.10 0.00 -0.02 0.00 0.00 41.12 42.53 3k8d n ASP 235 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3k8d s THR 236 N -2.15 1.28 0.30 -3.53 -4.23 -1.26 -3.85 115.64 102.20 3k8d s THR 236 Ca -0.01 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.47 3k8d s THR 236 Cb 0.02 -2.19 0.30 0.00 1.34 0.00 0.00 72.50 71.97 3k8d s THR 236 CO 0.13 -0.47 1.79 -0.65 -0.54 0.00 0.00 174.62 174.88 3k8d h PRO 237 N 2.53 0.78 -0.55 3.99 0.11 -1.98 -0.93 132.00 135.95 3k8d h PRO 237 Ca -0.38 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 3k8d h PRO 237 Cb 1.22 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3k8d h PRO 237 CO 0.64 0.51 0.07 0.93 -0.21 0.00 0.00 178.00 179.95 3k8d h GLU 238 N 0.80 0.88 -0.62 1.05 3.07 -1.96 -2.39 114.58 115.40 3k8d h GLU 238 Ca 0.56 -0.22 -0.04 0.00 -0.50 0.00 0.00 59.36 59.17 3k8d h GLU 238 Cb 0.83 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.60 3k8d h GLU 238 CO -0.36 0.83 0.24 -0.44 -1.40 0.00 0.00 179.01 177.89 3k8d h ASP 239 N 0.83 0.86 -0.65 1.42 3.32 -1.54 -2.48 116.42 118.17 3k8d h ASP 239 Ca 0.17 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3k8d h ASP 239 Cb 0.40 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3k8d h ASP 239 CO 0.01 0.80 0.36 0.25 -1.72 0.00 0.00 179.24 178.94 3k8d h LEU 240 N 0.87 0.81 -0.57 1.55 5.85 -1.08 -0.07 115.31 122.67 3k8d h LEU 240 Ca 0.21 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3k8d h LEU 240 Cb 0.21 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3k8d h LEU 240 CO -0.02 0.67 0.26 -0.33 -0.34 0.00 0.00 178.44 178.68 3k8d h GLU 241 N 0.89 0.83 -0.58 1.25 4.39 -1.33 0.46 114.58 120.49 3k8d h GLU 241 Ca 0.23 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 3k8d h GLU 241 Cb 0.04 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 3k8d h GLU 241 CO -0.04 0.69 0.30 -0.09 -1.16 0.00 0.00 179.01 178.71 3k8d h ARG 242 N 0.77 0.82 -0.27 2.33 2.43 -1.01 -2.13 114.38 117.31 3k8d h ARG 242 Ca 0.19 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 3k8d h ARG 242 Cb 0.15 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3k8d h ARG 242 CO -0.02 0.64 -0.50 0.28 -1.51 0.00 0.00 179.97 178.86 3k8d h VAL 243 N 0.78 1.29 -0.77 0.20 2.07 -0.79 -1.28 116.25 117.75 3k8d h VAL 243 Ca 0.20 -1.70 0.09 0.00 0.82 0.00 0.00 66.70 66.11 3k8d h VAL 243 Cb 0.08 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3k8d h VAL 243 CO -0.03 0.55 0.42 0.03 0.02 0.00 0.00 177.57 178.55 3k8d h ARG 244 N 0.60 0.69 -0.13 1.57 3.08 -0.78 -1.24 114.38 118.16 3k8d h ARG 244 Ca 0.03 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 3k8d h ARG 244 Cb 1.08 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3k8d h ARG 244 CO 0.11 0.45 -0.57 0.00 -1.07 0.00 0.00 179.97 178.89 3k8d h ALA 245 N 1.44 0.78 0.00 0.04 0.00 -1.13 -3.32 119.26 117.07 3k8d h ALA 245 Ca 0.37 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3k8d h ALA 245 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3k8d h ALA 245 CO -0.25 0.70 -0.91 0.93 0.00 0.00 0.00 179.25 179.72 3k8d h GLU 246 N 0.31 0.00 -0.01 0.00 5.08 -0.64 -3.51 114.58 115.80 3k8d h GLU 246 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k8d h GLU 246 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3k8d h GLU 246 CO 0.10 0.42 0.00 -1.33 -1.00 0.00 0.00 179.01 177.20