#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 -0.07 -0.07 1.43 -0.71 -1.26 -4.60 117.98 112.70 3k8d s PHE 3 Ca 0.00 -0.27 0.02 0.00 -1.04 0.00 0.00 56.93 55.64 3k8d s PHE 3 Cb 0.00 0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 42.01 3k8d s PHE 3 CO 0.00 -0.75 -0.13 0.08 -1.34 0.00 0.00 175.22 173.08 3k8d s VAL 4 N -3.85 3.17 -0.16 -2.49 1.01 -0.38 -1.13 120.40 116.57 3k8d s VAL 4 Ca 0.07 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3k8d s VAL 4 Cb 0.01 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3k8d s VAL 4 CO -0.08 0.58 0.05 -0.69 0.00 0.00 0.00 175.10 174.96 3k8d s VAL 5 N -0.48 4.73 -0.10 2.92 1.01 -0.19 -0.36 120.40 127.93 3k8d s VAL 5 Ca 0.06 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3k8d s VAL 5 Cb -0.12 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3k8d s VAL 5 CO 0.02 0.49 -0.20 -0.63 0.00 0.00 0.00 175.10 174.78 3k8d s ILE 6 N 0.11 1.79 -0.33 2.22 1.01 -0.68 -1.23 121.20 124.09 3k8d s ILE 6 Ca 0.05 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 3k8d s ILE 6 Cb -0.12 -1.58 0.04 0.00 0.01 0.00 0.00 42.46 40.80 3k8d s ILE 6 CO 0.01 0.50 0.10 -0.63 0.00 0.00 0.00 174.94 174.92 3k8d s ILE 7 N 0.62 3.81 0.09 2.92 1.01 0.22 -2.93 121.20 126.94 3k8d s ILE 7 Ca -0.13 -1.07 -0.30 0.00 0.00 0.00 0.00 60.65 59.14 3k8d s ILE 7 Cb -0.16 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 3k8d s ILE 7 CO 0.04 -0.14 0.98 -2.16 0.00 0.00 0.00 174.94 173.65 3k8d s PRO 8 N 1.42 4.66 -0.47 2.79 0.04 -1.26 -0.55 135.00 141.63 3k8d s PRO 8 Ca -0.01 1.47 0.06 0.00 0.04 0.00 0.00 61.00 62.56 3k8d s PRO 8 Cb -0.19 -3.39 0.20 0.00 0.04 0.00 0.00 34.50 31.16 3k8d s PRO 8 CO 0.03 0.14 0.61 0.00 0.04 0.00 0.00 177.00 177.82 3k8d n ALA 9 N 3.01 0.11 -1.65 8.56 0.00 0.46 -2.96 120.51 128.03 3k8d n ALA 9 Ca 0.03 -1.97 -0.32 0.00 0.00 0.00 0.00 53.44 51.18 3k8d n ALA 9 Cb 0.49 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 0.39 3.27 -0.07 0.00 1.70 -1.26 -4.27 118.95 118.71 3k8d s ARG 10 Ca 0.32 1.17 -0.24 0.00 -0.47 0.00 0.00 55.73 56.51 3k8d s ARG 10 Cb 0.06 -2.03 -0.29 0.00 -0.57 0.00 0.00 34.95 32.13 3k8d s ARG 10 CO -0.13 -0.84 0.89 -0.92 -1.08 0.00 0.00 175.30 173.22 3k8d h TYR 11 N 0.29 0.37 -0.52 5.89 3.20 -1.96 -3.41 116.97 120.84 3k8d h TYR 11 Ca -0.46 -0.26 -0.71 0.00 3.14 0.00 0.00 58.73 60.44 3k8d h TYR 11 Cb 1.22 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.42 3k8d h TYR 11 CO 0.59 1.18 3.09 0.00 -1.64 0.00 0.00 178.16 181.37 3k8d n ALA 12 N -2.63 6.75 -1.77 1.82 0.00 -1.26 -1.52 120.51 121.90 3k8d n ALA 12 Ca -0.12 -3.85 -0.38 0.00 0.00 0.00 0.00 53.44 49.09 3k8d n ALA 12 Cb 0.69 -3.17 -0.01 0.00 0.00 0.00 0.00 19.45 16.95 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 1.63 6.25 -0.08 0.00 1.04 -1.26 -4.92 113.70 116.36 3k8d s SER 13 Ca 0.58 2.38 -0.09 0.00 0.48 0.00 0.00 55.95 59.30 3k8d s SER 13 Cb 0.16 -2.61 -0.29 0.00 0.10 0.00 0.00 66.02 63.39 3k8d s SER 13 CO -0.07 -0.87 0.54 0.71 0.98 0.00 0.00 173.24 174.53 3k8d h THR 14 N 2.05 0.80 0.00 2.02 1.35 -1.96 -2.97 112.91 114.20 3k8d h THR 14 Ca -0.49 -2.44 0.00 0.00 -0.55 0.00 0.00 66.41 62.93 3k8d h THR 14 Cb 1.25 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 3k8d h THR 14 CO 0.61 0.88 0.00 0.03 -0.25 0.00 0.00 175.52 176.79 3k8d h ARG 15 N 0.09 0.00 -1.47 4.72 3.08 -1.94 -3.38 114.38 115.48 3k8d h ARG 15 Ca -0.38 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.42 3k8d h ARG 15 Cb 2.07 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.88 3k8d h ARG 15 CO 0.14 0.00 -0.61 -1.17 -1.07 0.00 0.00 179.97 177.26 3k8d s LEU 16 N -6.16 -0.66 0.49 3.04 0.20 -1.25 -4.39 118.68 109.95 3k8d s LEU 16 Ca 0.06 -1.67 -0.23 0.00 0.69 0.00 0.00 54.13 52.97 3k8d s LEU 16 Cb 0.06 1.20 -0.07 0.00 -0.43 0.00 0.00 46.19 46.94 3k8d s LEU 16 CO 0.64 -0.15 1.28 -2.65 -0.29 0.00 0.00 176.35 175.18 3k8d n PRO 17 N 3.63 1.77 -2.09 0.98 -0.02 -1.12 -2.64 135.00 135.51 3k8d n PRO 17 Ca 0.16 0.64 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 3k8d n PRO 17 Cb 0.52 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.82 0.44 0.25 -1.23 0.00 -0.57 -4.91 105.19 100.00 3k8d n GLY 18 Ca 0.08 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.17 1.61 2.10 -1.60 -1.63 116.57 116.88 3k8d h LYS 19 Ca -0.46 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 0.59 0.04 0.17 -1.35 -2.00 0.00 0.00 179.45 176.90 3k8d h PRO 20 N 0.00 0.00 -0.25 0.07 0.11 -1.85 -2.41 132.00 127.67 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 -3.96 3.18 -4.76 2.35 4.77 -0.62 -1.39 117.00 116.57 3k8d n LEU 21 Ca 0.01 -1.34 -0.41 0.00 -0.03 0.00 0.00 56.01 54.24 3k8d n LEU 21 Cb 0.29 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3k8d n LEU 21 CO 0.29 0.64 1.04 0.68 -1.33 0.00 0.00 177.39 178.71 3k8d s VAL 22 N -1.56 2.69 0.14 4.08 -7.23 -0.91 -4.65 120.40 112.97 3k8d s VAL 22 Ca 0.33 0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 60.83 3k8d s VAL 22 Cb 0.20 -3.41 -0.07 0.00 0.56 0.00 0.00 36.38 33.66 3k8d s VAL 22 CO 0.29 0.13 1.23 -0.62 -0.31 0.00 0.00 175.10 175.82 3k8d s ASP 23 N -0.06 7.03 -0.30 4.85 2.15 -1.26 -1.25 116.67 127.83 3k8d s ASP 23 Ca 0.54 2.20 0.01 0.00 0.43 0.00 0.00 52.55 55.72 3k8d s ASP 23 Cb -0.41 -2.60 0.09 0.00 -0.30 0.00 0.00 42.92 39.71 3k8d s ASP 23 CO 0.48 -0.45 0.06 -0.63 -0.17 0.00 0.00 175.17 174.46 3k8d s ILE 24 N 0.45 1.36 -1.50 4.11 1.01 0.38 -4.86 121.20 122.15 3k8d s ILE 24 Ca 0.56 -1.61 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 3k8d s ILE 24 Cb -0.33 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.26 3k8d s ILE 24 CO 0.34 -0.55 0.84 0.59 0.00 0.00 0.00 174.94 176.16 3k8d n ASN 25 N 4.66 -3.42 0.00 3.58 3.02 -1.26 -2.76 115.26 119.08 3k8d n ASN 25 Ca -0.02 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 3k8d n ASN 25 Cb 0.43 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 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 -1.66 0.91 3.16 7.41 0.00 -1.26 -5.06 105.19 108.69 3k8d n GLY 26 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.92 0.96 0.61 1.61 1.02 -1.11 -5.10 119.74 116.81 3k8d s LYS 27 Ca 0.00 -0.81 -0.18 0.00 0.02 0.00 0.00 55.97 55.00 3k8d s LYS 27 Cb 0.00 -0.98 -0.02 0.00 -0.52 0.00 0.00 37.83 36.30 3k8d s LYS 27 CO 0.00 0.24 1.16 -1.25 -0.92 0.00 0.00 175.35 174.58 3k8d s PRO 28 N -1.26 2.95 0.26 -1.68 0.04 -1.26 -0.47 135.00 133.59 3k8d s PRO 28 Ca 0.02 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 3k8d s PRO 28 Cb -0.08 -1.95 0.57 0.00 0.04 0.00 0.00 34.50 33.08 3k8d s PRO 28 CO 0.02 -1.18 1.72 1.98 0.04 0.00 0.00 177.00 179.57 3k8d h MET 29 N 0.63 0.42 -0.32 4.56 1.85 -0.96 -0.79 114.93 120.33 3k8d h MET 29 Ca -0.49 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 58.57 3k8d h MET 29 Cb 1.27 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 33.19 3k8d h MET 29 CO 0.55 0.28 0.18 0.97 -0.40 0.00 0.00 176.91 178.48 3k8d h ILE 30 N 0.43 1.10 -0.22 1.77 6.09 -1.51 -1.61 117.51 123.57 3k8d h ILE 30 Ca 0.48 -0.24 -0.15 0.00 -1.37 0.00 0.00 64.86 63.57 3k8d h ILE 30 Cb 0.80 0.67 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 3k8d h ILE 30 CO -0.46 0.11 -0.50 0.58 -3.07 0.00 0.00 178.15 174.81 3k8d h VAL 31 N 0.43 1.31 -0.56 2.19 2.07 -1.41 -1.53 116.25 118.75 3k8d h VAL 31 Ca 0.11 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.92 3k8d h VAL 31 Cb 0.01 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3k8d h VAL 31 CO -0.02 0.54 0.36 0.45 0.02 0.00 0.00 177.57 178.92 3k8d h HIS 32 N 0.47 0.71 -0.62 1.57 3.86 -1.16 -1.37 115.15 118.60 3k8d h HIS 32 Ca 0.02 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 3k8d h HIS 32 Cb 1.04 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 3k8d h HIS 32 CO 0.04 0.46 0.26 0.28 0.86 0.00 0.00 177.93 179.83 3k8d h VAL 33 N 0.75 1.23 -0.90 2.45 2.07 -1.23 -1.93 116.25 118.70 3k8d h VAL 33 Ca 0.20 -0.70 0.14 0.00 0.82 0.00 0.00 66.70 67.17 3k8d h VAL 33 Cb -0.07 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 3k8d h VAL 33 CO -0.04 0.28 0.51 0.25 0.02 0.00 0.00 177.57 178.58 3k8d h LEU 34 N 0.86 0.67 -0.55 2.57 5.85 -0.98 -1.35 115.31 122.38 3k8d h LEU 34 Ca 0.21 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.88 3k8d h LEU 34 Cb 0.18 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3k8d h LEU 34 CO -0.02 0.30 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.87 3k8d h GLU 35 N 0.74 0.97 -0.75 1.25 4.39 -0.58 -1.08 114.58 119.53 3k8d h GLU 35 Ca 0.48 -0.39 0.03 0.00 0.34 0.00 0.00 59.36 59.81 3k8d h GLU 35 Cb 0.62 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 3k8d h GLU 35 CO -0.33 1.06 0.48 0.00 -1.16 0.00 0.00 179.01 179.06 3k8d h ARG 36 N 0.84 0.91 -0.52 2.33 2.47 -0.64 -1.05 114.38 118.73 3k8d h ARG 36 Ca 0.12 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 3k8d h ARG 36 Cb 0.75 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 3k8d h ARG 36 CO 0.06 0.60 0.20 0.00 0.56 0.00 0.00 179.97 181.40 3k8d h ALA 37 N 1.31 0.68 -0.55 0.04 0.00 -0.96 -2.35 119.26 117.43 3k8d h ALA 37 Ca 0.29 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3k8d h ALA 37 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3k8d h ALA 37 CO -0.10 0.29 0.35 0.00 0.00 0.00 0.00 179.25 179.80 3k8d h ARG 38 N 0.70 0.70 0.00 0.00 3.08 -0.89 -2.36 114.38 115.61 3k8d h ARG 38 Ca 0.17 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3k8d h ARG 38 Cb 0.21 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3k8d h ARG 38 CO -0.01 0.46 -0.02 0.93 -1.07 0.00 0.00 179.97 180.26 3k8d h GLU 39 N 0.72 0.00 0.00 0.04 5.08 -0.82 -2.41 114.58 117.19 3k8d h GLU 39 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3k8d h GLU 39 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3k8d h GLU 39 CO -0.06 0.02 0.00 0.66 -1.00 0.00 0.00 179.01 178.63 3k8d h SER 40 N 0.00 0.00 0.00 1.42 4.64 -0.90 -3.46 113.55 115.24 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 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 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 0.63 0.58 3.60 -0.77 0.00 -0.91 -4.75 105.19 103.57 3k8d n GLY 41 Ca 0.04 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 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 0.44 -0.09 0.23 4.61 0.00 -1.26 -4.88 120.51 119.57 3k8d n ALA 42 Ca 0.00 0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.92 3k8d n ALA 42 Cb 0.00 -2.04 0.42 0.00 0.00 0.00 0.00 19.45 17.84 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 1.91 0.00 -2.36 0.00 4.39 -1.52 -3.44 114.58 113.56 3k8d h GLU 43 Ca -0.41 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.21 3k8d h GLU 43 Cb 1.34 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.77 3k8d h GLU 43 CO 0.60 0.11 -0.04 0.50 -1.16 0.00 0.00 179.01 179.01 3k8d s ARG 44 N -3.47 0.69 -0.05 2.33 3.52 -1.25 -5.05 118.95 115.66 3k8d s ARG 44 Ca 0.03 0.74 -0.00 0.00 -0.13 0.00 0.00 55.73 56.37 3k8d s ARG 44 Cb 0.08 0.33 0.03 0.00 -1.56 0.00 0.00 34.95 33.83 3k8d s ARG 44 CO 0.62 -0.09 -0.01 0.42 -0.81 0.00 0.00 175.30 175.43 3k8d s ILE 45 N 0.18 0.33 -0.05 4.11 1.01 -1.26 -1.03 121.20 124.49 3k8d s ILE 45 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.72 3k8d s ILE 45 Cb -0.04 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 42.01 3k8d s ILE 45 CO 0.01 0.21 -0.10 -0.63 0.00 0.00 0.00 174.94 174.43 3k8d s ILE 46 N 1.37 0.97 -0.19 2.92 1.01 -0.36 -3.97 121.20 122.95 3k8d s ILE 46 Ca -0.04 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 3k8d s ILE 46 Cb -0.13 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 3k8d s ILE 46 CO -0.02 0.31 0.37 -0.69 0.00 0.00 0.00 174.94 174.91 3k8d s VAL 47 N 0.59 5.23 -0.26 2.92 1.01 -0.28 -0.61 120.40 128.99 3k8d s VAL 47 Ca -0.11 0.66 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 3k8d s VAL 47 Cb -0.14 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3k8d s VAL 47 CO 0.02 0.29 0.17 0.00 0.00 0.00 0.00 175.10 175.58 3k8d s ALA 48 N 1.08 3.52 0.23 5.51 0.00 0.29 -0.71 121.76 131.68 3k8d s ALA 48 Ca 0.18 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 3k8d s ALA 48 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 3k8d s ALA 48 CO 0.07 -0.42 0.22 -0.08 0.00 0.00 0.00 175.76 175.54 3k8d s THR 49 N 1.51 0.00 0.00 0.00 -1.32 -0.88 -0.41 115.64 114.54 3k8d s THR 49 Ca 0.07 -1.90 0.00 0.00 -1.21 0.00 0.00 61.69 58.65 3k8d s THR 49 Cb -0.15 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 3k8d s THR 49 CO 0.08 0.00 0.87 -0.90 -2.21 0.00 0.00 174.62 172.46 3k8d n ASP 50 N -0.50 1.71 -3.90 8.08 5.75 -1.26 -0.86 116.55 125.58 3k8d n ASP 50 Ca 0.02 -1.75 -0.22 0.00 -0.01 0.00 0.00 54.79 52.83 3k8d n ASP 50 Cb 0.65 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.75 0.94 0.44 2.11 2.46 -1.26 -4.90 115.29 114.34 3k8d s HIS 51 Ca 0.00 -0.32 0.11 0.00 0.47 0.00 0.00 55.06 55.31 3k8d s HIS 51 Cb 0.00 -0.82 0.98 0.00 -0.13 0.00 0.00 32.58 32.61 3k8d s HIS 51 CO 0.00 -0.27 2.06 0.93 -2.47 0.00 0.00 174.74 175.00 3k8d h GLU 52 N 7.46 0.30 -0.34 2.88 4.39 -1.99 -1.43 114.58 125.85 3k8d h GLU 52 Ca -0.33 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.24 3k8d h GLU 52 Cb 1.15 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 3k8d h GLU 52 CO 0.43 0.24 -0.24 -0.44 -1.16 0.00 0.00 179.01 177.84 3k8d h ASP 53 N 0.31 0.68 -0.28 1.42 3.32 -1.99 0.12 116.42 120.00 3k8d h ASP 53 Ca 0.08 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 3k8d h ASP 53 Cb 0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3k8d h ASP 53 CO -0.01 0.90 0.04 0.58 -1.72 0.00 0.00 179.24 179.03 3k8d h VAL 54 N 0.59 1.24 -0.40 -1.35 2.07 -1.76 -2.62 116.25 114.01 3k8d h VAL 54 Ca 0.08 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 66.85 3k8d h VAL 54 Cb 0.72 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3k8d h VAL 54 CO 0.06 0.26 0.11 0.00 0.02 0.00 0.00 177.57 178.02 3k8d h ALA 55 N 0.87 0.46 -0.94 1.67 0.00 -0.88 -2.11 119.26 118.33 3k8d h ALA 55 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k8d h ALA 55 Cb 0.35 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3k8d h ALA 55 CO 0.01 -0.29 0.59 0.00 0.00 0.00 0.00 179.25 179.56 3k8d h ARG 56 N 0.25 1.26 -0.57 0.00 3.08 -0.74 -0.41 114.38 117.27 3k8d h ARG 56 Ca 0.19 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3k8d h ARG 56 Cb 0.21 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3k8d h ARG 56 CO -0.23 0.87 0.18 0.00 -1.07 0.00 0.00 179.97 179.73 3k8d h ALA 57 N 1.32 0.74 -0.23 0.04 0.00 -1.13 -1.03 119.26 118.97 3k8d h ALA 57 Ca 0.34 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3k8d h ALA 57 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3k8d h ALA 57 CO -0.07 0.40 -0.10 0.28 0.00 0.00 0.00 179.25 179.76 3k8d h VAL 58 N 0.79 1.30 -0.50 0.00 2.07 -0.99 -2.64 116.25 116.28 3k8d h VAL 58 Ca 0.18 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 3k8d h VAL 58 Cb 0.27 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3k8d h VAL 58 CO -0.01 0.36 0.24 -0.33 0.02 0.00 0.00 177.57 177.85 3k8d h GLU 59 N 0.20 0.70 0.00 1.57 5.08 -0.98 -0.65 114.58 120.51 3k8d h GLU 59 Ca 0.05 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3k8d h GLU 59 Cb 0.60 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3k8d h GLU 59 CO 0.03 0.55 -0.24 0.00 -1.00 0.00 0.00 179.01 178.35 3k8d h ALA 60 N 1.56 1.19 -0.13 3.43 0.00 -1.09 -0.41 119.26 123.81 3k8d h ALA 60 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3k8d h ALA 60 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k8d h ALA 60 CO -0.02 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3k8d n ALA 61 N -2.31 2.53 -0.88 0.00 0.00 -0.54 -4.93 120.51 114.38 3k8d n ALA 61 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3k8d n ALA 61 Cb 0.36 -1.10 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 0.48 3.90 0.00 0.00 -0.16 -5.05 105.19 105.52 3k8d n GLY 62 Ca 0.17 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.69 1.95 0.26 -0.02 0.00 -0.36 -4.98 107.32 101.47 3k8d s GLY 63 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 3k8d s GLY 63 CO 0.00 -0.46 1.00 1.85 0.00 0.00 0.00 173.10 175.48 3k8d s GLU 64 N -3.32 4.76 0.00 2.90 2.12 -1.25 -4.00 118.70 119.91 3k8d s GLU 64 Ca 0.43 1.59 0.07 0.00 0.36 0.00 0.00 54.97 57.42 3k8d s GLU 64 Cb -0.11 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 3k8d s GLU 64 CO 0.28 0.39 -0.21 0.08 -0.54 0.00 0.00 175.26 175.27 3k8d s VAL 65 N -1.20 1.66 -0.18 3.70 1.01 -1.26 -1.13 120.40 122.99 3k8d s VAL 65 Ca 0.43 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3k8d s VAL 65 Cb -0.28 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.74 3k8d s VAL 65 CO 0.35 0.39 -0.15 0.00 0.00 0.00 0.00 175.10 175.68 3k8d s MET 67 N 1.36 4.45 0.15 0.00 -1.94 -1.26 -2.07 119.30 119.99 3k8d s MET 67 Ca 0.03 1.79 -0.02 0.00 -1.71 0.00 0.00 55.69 55.77 3k8d s MET 67 Cb -0.14 -2.99 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 3k8d s MET 67 CO -0.11 0.05 0.10 0.95 -0.01 0.00 0.00 175.02 176.00 3k8d s THR 68 N -1.28 0.08 0.54 2.05 -4.23 -0.04 -4.90 115.64 107.85 3k8d s THR 68 Ca 0.49 -1.87 -0.21 0.00 -1.18 0.00 0.00 61.69 58.91 3k8d s THR 68 Cb -0.31 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 3k8d s THR 68 CO 0.39 -0.35 1.31 -0.13 -0.54 0.00 0.00 174.62 175.31 3k8d s ARG 69 N -4.06 3.19 0.47 3.99 0.52 -1.26 -4.43 118.95 117.36 3k8d s ARG 69 Ca 0.26 2.12 0.26 0.00 -0.52 0.00 0.00 55.73 57.86 3k8d s ARG 69 Cb 0.07 -2.23 0.98 0.00 0.52 0.00 0.00 34.95 34.29 3k8d s ARG 69 CO 0.04 -1.12 1.84 0.00 0.02 0.00 0.00 175.30 176.09 3k8d h ALA 70 N 1.45 1.00 -0.13 2.13 0.00 -1.95 -3.29 119.26 118.47 3k8d h ALA 70 Ca -0.51 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3k8d h ALA 70 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3k8d h ALA 70 CO 0.57 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 3k8d n ASP 71 N -3.28 1.30 -4.78 0.00 5.75 -1.26 -4.88 116.55 109.40 3k8d n ASP 71 Ca 0.01 -1.65 -0.41 0.00 -0.01 0.00 0.00 54.79 52.72 3k8d n ASP 71 Cb 0.41 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.41 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 -1.83 2.67 -1.96 2.11 3.76 -1.24 -4.93 115.29 113.87 3k8d s HIS 72 Ca 0.31 1.22 0.21 0.00 -0.15 0.00 0.00 55.06 56.64 3k8d s HIS 72 Cb 0.16 -3.96 0.01 0.00 1.11 0.00 0.00 32.58 29.91 3k8d s HIS 72 CO 0.25 -2.78 1.03 1.04 -0.85 0.00 0.00 174.74 173.43 3k8d n GLN 73 N 0.52 1.46 -3.80 1.40 1.13 -1.26 -4.98 117.38 111.84 3k8d n GLN 73 Ca 0.01 -1.05 -0.09 0.00 -1.94 0.00 0.00 57.00 53.93 3k8d n GLN 73 Cb 0.40 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 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 -2.22 -0.25 0.29 1.08 1.04 -1.26 -5.02 113.70 107.35 3k8d s SER 74 Ca 0.18 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 3k8d s SER 74 Cb 0.17 0.63 0.43 0.00 0.10 0.00 0.00 66.02 67.35 3k8d s SER 74 CO 0.48 -1.17 1.94 1.23 0.98 0.00 0.00 173.24 176.71 3k8d h GLY 75 N 2.12 1.27 1.05 7.32 0.00 -1.95 -1.78 103.07 111.10 3k8d h GLY 75 Ca -0.25 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.53 3k8d h GLY 75 CO 0.32 0.41 -0.06 -0.84 0.00 0.00 0.00 176.54 176.37 3k8d h THR 76 N 1.15 1.27 -0.82 4.70 2.02 -1.99 0.56 112.91 119.79 3k8d h THR 76 Ca 0.34 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 3k8d h THR 76 Cb -0.04 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 3k8d h THR 76 CO -0.09 0.42 0.48 -0.33 0.37 0.00 0.00 175.52 176.36 3k8d h GLU 77 N 0.83 1.13 -0.63 6.66 5.08 -1.89 -2.45 114.58 123.30 3k8d h GLU 77 Ca 0.14 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3k8d h GLU 77 Cb 0.61 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3k8d h GLU 77 CO 0.04 0.81 0.18 -0.09 -1.00 0.00 0.00 179.01 178.95 3k8d h ARG 78 N 1.13 1.00 -0.93 2.33 2.43 -0.93 -2.57 114.38 116.84 3k8d h ARG 78 Ca 0.29 -0.23 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 3k8d h ARG 78 Cb -0.01 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 3k8d h ARG 78 CO -0.05 0.89 0.60 -0.07 -1.51 0.00 0.00 179.97 179.83 3k8d h LEU 79 N 0.92 0.86 -1.11 3.80 4.07 -0.54 -2.26 115.31 121.06 3k8d h LEU 79 Ca 0.20 0.03 0.03 0.00 0.08 0.00 0.00 57.88 58.21 3k8d h LEU 79 Cb 0.32 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 41.86 3k8d h LEU 79 CO -0.00 0.51 0.60 0.00 -1.08 0.00 0.00 178.44 178.47 3k8d h ALA 80 N 1.54 1.40 -0.71 1.53 0.00 -1.02 0.30 119.26 122.29 3k8d h ALA 80 Ca 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3k8d h ALA 80 Cb 0.38 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3k8d h ALA 80 CO -0.19 0.53 0.46 1.49 0.00 0.00 0.00 179.25 181.53 3k8d h GLU 81 N 1.18 0.94 -0.60 0.00 4.81 -1.42 -1.32 114.58 118.18 3k8d h GLU 81 Ca 0.36 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 3k8d h GLU 81 Cb -0.03 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 3k8d h GLU 81 CO -0.10 0.64 0.21 0.28 -0.73 0.00 0.00 179.01 179.31 3k8d h VAL 82 N 0.96 1.24 -0.96 0.32 2.07 -1.11 -1.62 116.25 117.15 3k8d h VAL 82 Ca 0.26 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3k8d h VAL 82 Cb -0.08 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3k8d h VAL 82 CO -0.05 0.29 0.60 0.58 0.02 0.00 0.00 177.57 179.01 3k8d h VAL 83 N 0.83 1.25 -0.25 2.57 2.07 -0.70 0.21 116.25 122.24 3k8d h VAL 83 Ca 0.20 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3k8d h VAL 83 Cb 0.24 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3k8d h VAL 83 CO -0.01 0.26 -0.28 -0.33 0.02 0.00 0.00 177.57 177.23 3k8d h GLU 84 N 1.31 0.62 -0.64 1.57 5.08 -1.02 -0.96 114.58 120.55 3k8d h GLU 84 Ca 0.35 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3k8d h GLU 84 Cb -0.10 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3k8d h GLU 84 CO -0.07 0.94 0.13 -0.22 -1.00 0.00 0.00 179.01 178.80 3k8d h LYS 85 N 0.33 1.03 0.00 2.33 1.63 -1.02 -2.74 116.57 118.13 3k8d h LYS 85 Ca 0.03 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 3k8d h LYS 85 Cb 0.85 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 3k8d h LYS 85 CO 0.07 0.95 0.00 0.00 -3.45 0.00 0.00 179.45 177.01 3k8d n ALA 87 N -1.80 -1.33 -1.68 0.00 0.00 -0.37 -4.94 120.51 110.38 3k8d n ALA 87 Ca 0.05 0.32 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 3k8d n ALA 87 Cb 0.43 -5.06 0.03 0.00 0.00 0.00 0.00 19.45 14.85 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 -4.87 1.81 -1.64 0.00 3.72 -1.17 -4.97 117.46 110.33 3k8d n PHE 88 Ca 0.01 0.48 -0.36 0.00 -0.05 0.00 0.00 57.45 57.52 3k8d n PHE 88 Cb 0.55 -2.31 0.08 0.00 -0.94 0.00 0.00 39.48 36.86 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 4.43 0.45 4.37 0.01 -1.26 -4.91 113.70 116.00 3k8d s SER 89 Ca 0.67 2.57 0.15 0.00 1.31 0.00 0.00 55.95 60.65 3k8d s SER 89 Cb -0.47 -2.61 1.07 0.00 0.21 0.00 0.00 66.02 64.22 3k8d s SER 89 CO 0.53 -2.12 2.00 0.44 0.41 0.00 0.00 173.24 174.51 3k8d h ASP 90 N 0.29 0.31 -0.01 2.44 3.32 -1.93 -2.11 116.42 118.73 3k8d h ASP 90 Ca -0.50 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3k8d h ASP 90 Cb 1.33 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3k8d h ASP 90 CO 0.52 0.19 -0.00 -0.90 -1.72 0.00 0.00 179.24 177.33 3k8d n ASP 91 N -4.47 1.03 -4.72 6.45 5.68 -1.26 -1.53 116.55 117.73 3k8d n ASP 91 Ca 0.08 -1.34 -0.42 0.00 -0.50 0.00 0.00 54.79 52.62 3k8d n ASP 91 Cb 0.35 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.30 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 -2.00 3.17 -0.18 2.12 2.01 -0.79 -4.82 115.64 115.13 3k8d s THR 92 Ca 0.41 0.86 -0.25 0.00 0.31 0.00 0.00 61.69 63.02 3k8d s THR 92 Cb 0.21 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 3k8d s THR 92 CO 0.35 0.08 0.81 -0.69 -0.69 0.00 0.00 174.62 174.48 3k8d s VAL 93 N 0.91 4.89 -0.10 3.82 1.01 -1.26 -0.85 120.40 128.81 3k8d s VAL 93 Ca 0.64 1.57 0.00 0.00 0.00 0.00 0.00 61.98 64.19 3k8d s VAL 93 Cb -0.38 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 3k8d s VAL 93 CO 0.32 0.02 -0.10 -0.63 0.00 0.00 0.00 175.10 174.71 3k8d s ILE 94 N 2.23 3.38 -0.22 2.22 -1.09 -0.37 -1.25 121.20 126.10 3k8d s ILE 94 Ca 0.37 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 58.19 3k8d s ILE 94 Cb -0.16 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.32 3k8d s ILE 94 CO 0.11 0.55 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.61 3k8d s VAL 95 N -0.20 3.06 -0.55 2.92 1.01 0.52 -1.37 120.40 125.77 3k8d s VAL 95 Ca 0.01 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 3k8d s VAL 95 Cb -0.13 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.88 3k8d s VAL 95 CO 0.03 0.41 1.15 0.21 0.00 0.00 0.00 175.10 176.89 3k8d s ASN 96 N 1.42 6.47 -0.38 3.32 3.84 0.10 -1.68 114.94 128.03 3k8d s ASN 96 Ca 0.05 0.12 -0.14 0.00 0.21 0.00 0.00 52.86 53.10 3k8d s ASN 96 Cb -0.14 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.02 3k8d s ASN 96 CO -0.05 -1.40 0.28 -0.69 -2.79 0.00 0.00 177.10 172.45 3k8d s VAL 97 N 4.71 5.27 0.51 -5.21 1.01 -1.15 -1.07 120.40 124.48 3k8d s VAL 97 Ca 0.42 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 3k8d s VAL 97 Cb -0.08 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 3k8d s VAL 97 CO 0.26 -0.17 1.26 -1.10 0.00 0.00 0.00 175.10 175.34 3k8d s GLN 98 N 1.72 3.40 0.00 2.72 -0.21 -0.61 -4.23 119.66 122.45 3k8d s GLN 98 Ca 0.06 1.99 0.07 0.00 0.02 0.00 0.00 55.36 57.49 3k8d s GLN 98 Cb -0.18 -2.29 0.29 0.00 1.00 0.00 0.00 33.01 31.83 3k8d s GLN 98 CO 0.10 -0.90 1.19 0.41 -2.12 0.00 0.00 175.29 173.97 3k8d n GLY 99 N 0.58 -0.69 1.48 3.09 0.00 -1.16 -2.06 105.19 106.43 3k8d n GLY 99 Ca 0.09 -0.02 0.07 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 -1.46 4.39 -3.12 1.61 5.75 -1.26 -4.63 116.55 117.82 3k8d n ASP 100 Ca 0.02 -2.50 -0.26 0.00 -0.01 0.00 0.00 54.79 52.04 3k8d n ASP 100 Cb 0.07 -0.57 -0.05 0.00 -1.03 0.00 0.00 41.12 39.54 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 0.81 2.70 0.17 0.11 -0.58 -0.88 -0.53 120.64 122.44 3k8d n GLU 101 Ca 0.22 -4.59 0.13 0.00 -0.42 0.00 0.00 57.16 52.50 3k8d n GLU 101 Cb 0.86 -2.15 0.59 0.00 -0.57 0.00 0.00 31.44 30.18 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 3.39 0.00 -0.33 3.49 0.13 -1.85 -2.92 132.00 133.91 3k8d h PRO 102 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3k8d h PRO 102 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3k8d h PRO 102 CO 0.78 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.22 3k8d n MET 103 N -2.42 2.27 -2.07 0.86 2.81 -1.26 -4.57 117.12 112.74 3k8d n MET 103 Ca 0.01 -1.97 -0.42 0.00 -1.81 0.00 0.00 57.70 53.50 3k8d n MET 103 Cb 0.18 -1.34 -0.03 0.00 -0.71 0.00 0.00 33.22 31.32 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 -1.08 3.34 0.47 2.02 2.07 -1.10 -4.92 121.20 121.99 3k8d s ILE 104 Ca 0.27 0.77 -0.23 0.00 -1.41 0.00 0.00 60.65 60.05 3k8d s ILE 104 Cb 0.15 -3.50 -0.07 0.00 0.13 0.00 0.00 42.46 39.18 3k8d s ILE 104 CO 0.21 0.00 1.19 -2.84 -1.91 0.00 0.00 174.94 171.59 3k8d s PRO 105 N 2.46 3.67 0.39 3.50 0.02 -1.26 -4.85 135.00 138.92 3k8d s PRO 105 Ca 0.69 1.83 0.10 0.00 0.02 0.00 0.00 61.00 63.65 3k8d s PRO 105 Cb -0.36 -2.38 0.89 0.00 0.02 0.00 0.00 34.50 32.67 3k8d s PRO 105 CO 0.30 -0.64 1.93 0.00 -0.33 0.00 0.00 177.00 178.25 3k8d h ALA 106 N 1.96 1.89 -0.56 -1.55 0.00 -1.90 -1.67 119.26 117.43 3k8d h ALA 106 Ca -0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3k8d h ALA 106 Cb 1.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3k8d h ALA 106 CO 0.60 -0.07 0.29 1.79 0.00 0.00 0.00 179.25 181.86 3k8d h THR 107 N 0.60 1.18 -0.46 0.00 1.35 -1.91 -1.81 112.91 111.85 3k8d h THR 107 Ca 0.36 -0.46 -0.14 0.00 -0.55 0.00 0.00 66.41 65.62 3k8d h THR 107 Cb 0.58 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 3k8d h THR 107 CO -0.13 0.20 -0.26 0.40 -0.25 0.00 0.00 175.52 175.48 3k8d h ILE 108 N 0.77 1.27 -0.32 6.82 1.08 -1.68 -0.98 117.51 124.47 3k8d h ILE 108 Ca 0.20 -1.42 0.01 0.00 -0.39 0.00 0.00 64.86 63.25 3k8d h ILE 108 Cb 0.04 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 3k8d h ILE 108 CO -0.03 0.49 0.19 0.40 -0.69 0.00 0.00 178.15 178.51 3k8d h ILE 109 N 0.83 1.04 -0.74 -0.67 2.04 -1.14 -1.98 117.51 116.90 3k8d h ILE 109 Ca 0.10 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 3k8d h ILE 109 Cb 0.84 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3k8d h ILE 109 CO 0.07 0.07 0.26 0.03 0.00 0.00 0.00 178.15 178.59 3k8d h ARG 110 N 0.39 1.13 -0.93 2.37 3.08 -1.25 -2.78 114.38 116.39 3k8d h ARG 110 Ca 0.12 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3k8d h ARG 110 Cb -0.01 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.82 3k8d h ARG 110 CO -0.05 0.95 0.58 1.96 -1.07 0.00 0.00 179.97 182.34 3k8d h GLN 111 N 1.09 1.25 -0.33 0.04 4.20 -0.87 -0.39 115.11 120.10 3k8d h GLN 111 Ca 0.24 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 3k8d h GLN 111 Cb 0.27 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3k8d h GLN 111 CO -0.01 0.86 -0.12 0.28 -0.67 0.00 0.00 178.83 179.16 3k8d h VAL 112 N 1.27 1.29 -0.60 -0.54 2.07 -1.20 -0.12 116.25 118.42 3k8d h VAL 112 Ca 0.34 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 3k8d h VAL 112 Cb -0.09 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3k8d h VAL 112 CO -0.07 0.39 0.36 0.00 0.02 0.00 0.00 177.57 178.28 3k8d h ALA 113 N 0.79 0.77 -0.46 1.67 0.00 -1.22 -1.82 119.26 118.98 3k8d h ALA 113 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3k8d h ALA 113 Cb 0.64 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3k8d h ALA 113 CO 0.04 0.25 0.06 -0.44 0.00 0.00 0.00 179.25 179.16 3k8d h ASP 114 N 0.81 0.75 -0.60 0.00 3.32 -0.92 -2.03 116.42 117.76 3k8d h ASP 114 Ca 0.22 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 57.00 3k8d h ASP 114 Cb -0.02 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3k8d h ASP 114 CO -0.04 0.84 0.39 0.78 -1.72 0.00 0.00 179.24 179.49 3k8d h ASN 115 N 0.64 0.69 -0.15 6.45 2.35 -0.87 -1.32 115.58 123.38 3k8d h ASN 115 Ca 0.14 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3k8d h ASN 115 Cb 0.42 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3k8d h ASN 115 CO 0.01 0.50 0.09 0.25 -1.65 0.00 0.00 177.43 176.63 3k8d h LEU 116 N 0.81 0.18 -1.35 1.61 7.12 -1.23 -2.84 115.31 119.61 3k8d h LEU 116 Ca 0.22 -0.07 -0.06 0.00 0.13 0.00 0.00 57.88 58.10 3k8d h LEU 116 Cb -0.09 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 39.98 3k8d h LEU 116 CO -0.05 0.20 -0.30 0.00 -0.13 0.00 0.00 178.44 178.16 3k8d h ALA 117 N 0.99 1.28 -0.00 1.25 0.00 -1.08 -2.41 119.26 119.29 3k8d h ALA 117 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3k8d h ALA 117 Cb 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k8d h ALA 117 CO -0.01 0.38 -0.24 1.04 0.00 0.00 0.00 179.25 180.42 3k8d n GLN 118 N -3.86 0.31 -4.42 0.00 6.02 -0.52 -4.90 117.38 110.01 3k8d n GLN 118 Ca -0.01 -0.13 -0.26 0.00 -0.01 0.00 0.00 57.00 56.58 3k8d n GLN 118 Cb 0.38 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.78 1.52 -0.10 -1.09 0.52 -0.91 -5.00 118.95 111.11 3k8d s ARG 119 Ca 0.19 -1.55 0.03 0.00 -0.52 0.00 0.00 55.73 53.88 3k8d s ARG 119 Cb 0.19 -1.80 0.25 0.00 0.52 0.00 0.00 34.95 34.11 3k8d s ARG 119 CO 0.57 0.38 1.03 0.00 0.02 0.00 0.00 175.30 177.30 3k8d n GLN 120 N 0.16 1.98 -3.32 3.54 -0.00 -1.26 -4.86 117.38 113.62 3k8d n GLN 120 Ca -0.12 -1.00 -0.31 0.00 -0.00 0.00 0.00 57.00 55.57 3k8d n GLN 120 Cb 0.57 -1.63 -0.05 0.00 -0.00 0.00 0.00 30.24 29.13 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 -1.40 4.90 -0.23 -0.39 0.11 -1.26 -5.00 120.40 117.12 3k8d s VAL 121 Ca 0.18 0.49 0.18 0.00 -2.93 0.00 0.00 61.98 59.89 3k8d s VAL 121 Cb 0.14 -3.64 0.10 0.00 -1.53 0.00 0.00 36.38 31.45 3k8d s VAL 121 CO 0.05 -0.16 1.36 1.23 -3.33 0.00 0.00 175.10 174.24 3k8d h GLY 122 N 2.26 0.00 -5.41 6.54 0.00 -1.89 -3.46 103.07 101.10 3k8d h GLY 122 Ca -0.47 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 3k8d h GLY 122 CO 0.68 0.00 -0.36 -0.29 0.00 0.00 0.00 176.54 176.56 3k8d s MET 123 N -3.06 0.35 0.08 4.80 -2.45 -1.26 -4.22 119.30 113.54 3k8d s MET 123 Ca 0.03 0.47 0.06 0.00 -1.25 0.00 0.00 55.69 55.01 3k8d s MET 123 Cb 0.07 0.13 -0.03 0.00 1.25 0.00 0.00 34.83 36.25 3k8d s MET 123 CO 0.74 -0.07 -0.17 0.00 1.05 0.00 0.00 175.02 176.57 3k8d s ALA 124 N 0.38 1.47 0.01 4.11 0.00 -0.23 -1.74 121.76 125.76 3k8d s ALA 124 Ca -0.02 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 3k8d s ALA 124 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3k8d s ALA 124 CO -0.02 0.27 0.02 -2.37 0.00 0.00 0.00 175.76 173.66 3k8d n THR 125 N 1.31 0.00 -3.83 0.00 5.66 0.51 -0.68 114.28 117.25 3k8d n THR 125 Ca -0.20 -0.06 -0.12 0.00 -3.05 0.00 0.00 64.05 60.62 3k8d n THR 125 Cb 0.54 0.04 -0.09 0.00 -1.55 0.00 0.00 70.33 69.27 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 1.31 0.13 1.09 0.20 -1.26 -1.58 118.68 118.57 3k8d s LEU 126 Ca 0.01 -0.11 0.00 0.00 0.69 0.00 0.00 54.13 54.73 3k8d s LEU 126 Cb -0.00 0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 46.60 3k8d s LEU 126 CO 0.01 -0.40 0.02 0.00 -0.29 0.00 0.00 176.35 175.69 3k8d s ALA 127 N -1.36 0.98 0.05 5.97 0.00 0.31 -1.75 121.76 125.96 3k8d s ALA 127 Ca -0.14 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.38 3k8d s ALA 127 Cb -0.07 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 3k8d s ALA 127 CO 0.03 -0.41 -0.10 0.14 0.00 0.00 0.00 175.76 175.42 3k8d s VAL 128 N -3.88 0.76 0.55 0.00 -7.23 -0.31 -1.36 120.40 108.92 3k8d s VAL 128 Ca 0.21 -1.18 -0.22 0.00 -1.81 0.00 0.00 61.98 58.98 3k8d s VAL 128 Cb 0.07 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 3k8d s VAL 128 CO 0.01 -0.33 1.36 -2.84 -0.31 0.00 0.00 175.10 172.98 3k8d s PRO 129 N -1.68 3.14 -0.18 4.82 0.02 -1.26 0.15 135.00 140.00 3k8d s PRO 129 Ca -0.07 2.23 -0.08 0.00 0.02 0.00 0.00 61.00 63.10 3k8d s PRO 129 Cb -0.10 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 3k8d s PRO 129 CO 0.01 -1.19 0.09 0.42 -0.33 0.00 0.00 177.00 176.00 3k8d s ILE 130 N -1.31 5.03 -0.30 2.83 1.01 -0.57 -4.69 121.20 123.20 3k8d s ILE 130 Ca 0.72 0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.45 3k8d s ILE 130 Cb -0.40 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 3k8d s ILE 130 CO 0.48 0.47 0.33 1.41 0.00 0.00 0.00 174.94 177.63 3k8d n HIS 131 N 3.37 0.00 -4.39 3.97 8.25 -1.26 -4.58 115.22 120.58 3k8d n HIS 131 Ca -0.17 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.06 3k8d n HIS 131 Cb 0.52 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.96 2.23 0.36 0.41 2.20 -1.26 -4.95 114.94 112.97 3k8d s ASN 132 Ca 0.03 -0.58 0.12 0.00 -0.94 0.00 0.00 52.86 51.48 3k8d s ASN 132 Cb 0.03 -0.14 0.69 0.00 -2.00 0.00 0.00 41.25 39.83 3k8d s ASN 132 CO 0.11 0.07 1.82 0.00 -2.94 0.00 0.00 177.10 176.15 3k8d h ALA 133 N 4.51 1.36 -0.65 3.54 0.00 -1.93 -2.75 119.26 123.35 3k8d h ALA 133 Ca -0.43 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.17 3k8d h ALA 133 Cb 1.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3k8d h ALA 133 CO 0.42 0.47 0.40 1.49 0.00 0.00 0.00 179.25 182.03 3k8d h GLU 134 N 0.03 0.77 -0.23 0.00 4.81 -1.92 -2.02 114.58 116.01 3k8d h GLU 134 Ca 0.00 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 3k8d h GLU 134 Cb 0.66 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3k8d h GLU 134 CO 0.05 0.51 -0.55 1.49 -0.73 0.00 0.00 179.01 179.78 3k8d h GLU 135 N 0.79 0.70 -0.06 1.92 4.81 -1.88 -2.47 114.58 118.40 3k8d h GLU 135 Ca 0.26 -0.44 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3k8d h GLU 135 Cb 0.01 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3k8d h GLU 135 CO -0.10 1.06 0.04 0.00 -0.73 0.00 0.00 179.01 179.28 3k8d h ALA 136 N 0.84 2.01 -0.54 2.92 0.00 -1.23 -2.51 119.26 120.77 3k8d h ALA 136 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k8d h ALA 136 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3k8d h ALA 136 CO 0.11 -0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.53 3k8d n PHE 137 N -4.53 0.74 -3.28 0.00 3.01 -0.80 -4.44 117.46 108.16 3k8d n PHE 137 Ca -0.02 -0.51 -0.41 0.00 1.01 0.00 0.00 57.45 57.52 3k8d n PHE 137 Cb 0.12 -0.02 -0.08 0.00 -0.01 0.00 0.00 39.48 39.49 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 -1.01 6.28 0.00 4.37 2.47 -0.94 -4.96 114.94 121.15 3k8d s ASN 138 Ca 0.36 -0.11 0.14 0.00 0.42 0.00 0.00 52.86 53.67 3k8d s ASN 138 Cb 0.19 -2.25 0.60 0.00 -1.45 0.00 0.00 41.25 38.34 3k8d s ASN 138 CO 0.24 -0.45 1.42 -0.81 -3.72 0.00 0.00 177.10 173.79 3k8d n PRO 139 N 5.65 0.03 0.03 0.43 -0.04 -1.26 -0.97 135.00 138.87 3k8d n PRO 139 Ca -0.06 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 3k8d n PRO 139 Cb 0.49 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.90 3k8d n PRO 139 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3k8d n ASN 140 N -1.46 0.36 -4.56 3.54 3.02 -1.26 -4.60 115.26 110.29 3k8d n ASN 140 Ca 0.04 0.34 -0.40 0.00 -0.03 0.00 0.00 54.58 54.53 3k8d n ASN 140 Cb 0.15 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.87 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 -3.04 3.52 -0.13 5.41 0.00 -0.14 -5.02 121.76 122.35 3k8d s ALA 141 Ca 0.12 -1.17 -0.28 0.00 0.00 0.00 0.00 51.96 50.63 3k8d s ALA 141 Cb 0.17 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 3k8d s ALA 141 CO 0.60 -0.85 0.92 0.08 0.00 0.00 0.00 175.76 176.52 3k8d s VAL 142 N 1.87 4.83 0.23 0.00 1.01 -1.26 -4.76 120.40 122.32 3k8d s VAL 142 Ca 0.09 1.86 -0.04 0.00 0.00 0.00 0.00 61.98 63.89 3k8d s VAL 142 Cb -0.17 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3k8d s VAL 142 CO 0.11 0.03 0.48 -0.54 0.00 0.00 0.00 175.10 175.17 3k8d s LYS 143 N 2.00 3.61 0.01 2.72 3.01 0.13 -0.61 119.74 130.60 3k8d s LYS 143 Ca 0.44 -0.09 0.02 0.00 -1.01 0.00 0.00 55.97 55.33 3k8d s LYS 143 Cb -0.18 -2.74 -0.01 0.00 -1.01 0.00 0.00 37.83 33.90 3k8d s LYS 143 CO 0.16 0.32 -0.06 0.54 0.51 0.00 0.00 175.35 176.81 3k8d s VAL 144 N -1.93 0.48 -0.10 3.17 0.11 -0.97 -0.93 120.40 120.23 3k8d s VAL 144 Ca 0.42 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 3k8d s VAL 144 Cb -0.11 -0.44 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 3k8d s VAL 144 CO 0.28 0.02 -0.20 0.68 -3.33 0.00 0.00 175.10 172.56 3k8d s VAL 145 N -0.39 2.47 0.19 2.04 -7.23 -0.87 -4.34 120.40 112.26 3k8d s VAL 145 Ca -0.00 -0.88 0.06 0.00 -1.81 0.00 0.00 61.98 59.34 3k8d s VAL 145 Cb -0.04 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3k8d s VAL 145 CO -0.00 0.55 0.12 -0.76 -0.31 0.00 0.00 175.10 174.70 3k8d s LEU 146 N 0.21 3.70 0.00 1.32 1.43 -1.26 -0.41 118.68 123.67 3k8d s LEU 146 Ca -0.12 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3k8d s LEU 146 Cb -0.16 -2.30 0.10 0.00 0.03 0.00 0.00 46.19 43.86 3k8d s LEU 146 CO 0.07 0.05 0.66 -0.90 0.23 0.00 0.00 176.35 176.46 3k8d n ASP 147 N -0.48 0.50 0.24 2.29 5.68 0.28 -4.78 116.55 120.28 3k8d n ASP 147 Ca -0.08 -1.51 0.08 0.00 -0.50 0.00 0.00 54.79 52.77 3k8d n ASP 147 Cb 0.55 -0.46 0.59 0.00 -1.14 0.00 0.00 41.12 40.66 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 -1.07 1.57 -0.02 2.12 0.00 -2.01 -2.03 119.26 117.81 3k8d h ALA 148 Ca -0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3k8d h ALA 148 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3k8d h ALA 148 CO 0.20 0.19 0.00 0.39 0.00 0.00 0.00 179.25 180.03 3k8d n GLU 149 N -4.10 1.80 -0.50 0.00 1.02 -1.26 -4.94 120.64 112.65 3k8d n GLU 149 Ca -0.02 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.95 3k8d n GLU 149 Cb 0.23 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.21 0.75 3.80 0.62 0.00 -0.76 -4.96 105.19 105.85 3k8d n GLY 150 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.48 3.42 0.12 1.61 2.02 -1.26 -1.23 117.35 119.56 3k8d s TYR 151 Ca 0.00 1.67 -0.31 0.00 -0.37 0.00 0.00 57.07 58.06 3k8d s TYR 151 Cb 0.00 -2.90 -0.07 0.00 -0.40 0.00 0.00 41.96 38.59 3k8d s TYR 151 CO 0.00 -0.06 1.27 0.00 -1.57 0.00 0.00 175.55 175.19 3k8d s ALA 152 N -1.95 3.48 -0.04 3.71 0.00 -0.16 -0.56 121.76 126.25 3k8d s ALA 152 Ca 0.58 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 53.32 3k8d s ALA 152 Cb -0.13 -3.47 -0.32 0.00 0.00 0.00 0.00 23.12 19.20 3k8d s ALA 152 CO 0.18 -0.49 0.87 -0.07 0.00 0.00 0.00 175.76 176.25 3k8d h LEU 153 N 6.33 0.56 -7.00 0.00 3.38 -1.04 -3.44 115.31 114.10 3k8d h LEU 153 Ca -0.43 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 56.61 3k8d h LEU 153 Cb 1.21 -0.18 -0.21 0.00 0.09 0.00 0.00 40.66 41.57 3k8d h LEU 153 CO 0.81 1.51 0.33 -0.47 0.09 0.00 0.00 178.44 180.71 3k8d s TYR 154 N -2.48 -0.55 -0.04 1.13 5.04 -1.21 -5.04 117.35 114.21 3k8d s TYR 154 Ca -0.13 0.96 0.05 0.00 -2.44 0.00 0.00 57.07 55.51 3k8d s TYR 154 Cb 0.02 0.42 -0.02 0.00 0.35 0.00 0.00 41.96 42.73 3k8d s TYR 154 CO 0.85 -0.50 -0.20 -0.06 -1.34 0.00 0.00 175.55 174.31 3k8d s PHE 155 N -1.10 2.54 0.04 4.97 0.08 -1.26 -2.05 117.98 121.20 3k8d s PHE 155 Ca -0.07 -0.30 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 3k8d s PHE 155 Cb -0.00 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 40.90 3k8d s PHE 155 CO 0.06 0.08 0.38 0.45 -0.10 0.00 0.00 175.22 176.09 3k8d s SER 156 N -0.65 -0.23 0.06 1.36 0.15 -0.11 -4.99 113.70 109.29 3k8d s SER 156 Ca 0.10 -0.06 0.28 0.00 0.70 0.00 0.00 55.95 56.96 3k8d s SER 156 Cb -0.10 0.40 1.04 0.00 -1.71 0.00 0.00 66.02 65.65 3k8d s SER 156 CO -0.00 -0.65 1.83 0.54 1.20 0.00 0.00 173.24 176.16 3k8d n ARG 157 N 0.52 0.08 -1.86 5.44 1.74 -1.26 -0.70 116.66 120.63 3k8d n ARG 157 Ca -0.18 0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 56.65 3k8d n ARG 157 Cb 0.60 -1.59 0.05 0.00 -1.02 0.00 0.00 32.46 30.49 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 2.87 -0.99 7.54 0.00 -1.26 -4.17 121.76 122.72 3k8d s ALA 158 Ca 0.13 -0.30 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 3k8d s ALA 158 Cb 0.17 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 20.31 3k8d s ALA 158 CO 0.57 -1.13 1.40 0.99 0.00 0.00 0.00 175.76 177.59 3k8d s THR 159 N -3.32 3.99 0.07 0.00 2.01 -1.26 -4.62 115.64 112.50 3k8d s THR 159 Ca 0.58 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.91 3k8d s THR 159 Cb -0.11 -5.02 -0.03 0.00 0.01 0.00 0.00 72.50 67.35 3k8d s THR 159 CO 0.52 -1.89 -0.25 0.27 -0.69 0.00 0.00 174.62 172.58 3k8d s ILE 160 N 4.79 2.07 0.29 1.82 -4.36 -1.26 -3.38 121.20 121.17 3k8d s ILE 160 Ca 0.44 -1.45 -0.29 0.00 -0.26 0.00 0.00 60.65 59.09 3k8d s ILE 160 Cb -0.01 -1.79 -0.10 0.00 1.25 0.00 0.00 42.46 41.81 3k8d s ILE 160 CO -0.08 0.26 1.16 -2.16 0.24 0.00 0.00 174.94 174.36 3k8d s PRO 161 N -1.44 4.56 0.03 0.37 0.04 -1.26 -4.62 135.00 132.68 3k8d s PRO 161 Ca 0.11 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 3k8d s PRO 161 Cb -0.10 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 3k8d s PRO 161 CO 0.03 0.09 1.28 -0.46 0.04 0.00 0.00 177.00 177.98 3k8d s TRP 162 N -1.13 3.22 -0.78 0.56 -0.11 -1.22 -4.97 118.94 114.51 3k8d s TRP 162 Ca 0.46 1.11 -0.20 0.00 1.22 0.00 0.00 56.10 58.69 3k8d s TRP 162 Cb -0.34 -3.52 0.11 0.00 -1.50 0.00 0.00 33.47 28.21 3k8d s TRP 162 CO 0.44 -1.74 1.00 0.34 -4.62 0.00 0.00 176.95 172.38 3k8d s ASP 163 N 1.34 6.40 0.11 5.86 -1.08 -1.26 -4.94 116.67 123.09 3k8d s ASP 163 Ca 0.60 -1.57 -0.32 0.00 -0.52 0.00 0.00 52.55 50.74 3k8d s ASP 163 Cb -0.30 -2.39 -0.12 0.00 -1.46 0.00 0.00 42.92 38.65 3k8d s ASP 163 CO 0.27 -1.21 1.58 -0.09 0.52 0.00 0.00 175.17 176.24 3k8d h ARG 164 N 9.15 -0.70 -0.43 4.34 2.43 -1.98 -1.01 114.38 126.18 3k8d h ARG 164 Ca -0.07 0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 3k8d h ARG 164 Cb 1.05 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3k8d h ARG 164 CO 1.13 -0.47 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.41 3k8d h ASP 165 N -0.73 0.98 -0.24 -3.80 3.32 -2.00 -1.60 116.42 112.36 3k8d h ASP 165 Ca 0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 3k8d h ASP 165 Cb 0.72 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3k8d h ASP 165 CO -0.21 1.19 0.06 -0.09 -1.72 0.00 0.00 179.24 178.47 3k8d h ARG 166 N 0.78 0.39 0.00 3.56 2.43 -1.91 -3.18 114.38 116.45 3k8d h ARG 166 Ca 0.09 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3k8d h ARG 166 Cb 0.85 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3k8d h ARG 166 CO 0.08 0.49 0.00 0.74 -1.51 0.00 0.00 179.97 179.77 3k8d h PHE 167 N 0.21 0.00 0.00 2.20 0.04 -1.13 -2.46 116.94 115.81 3k8d h PHE 167 Ca 0.08 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 3k8d h PHE 167 Cb 0.28 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 3k8d h PHE 167 CO 0.01 0.00 -0.35 0.00 -0.60 0.00 0.00 178.31 177.37 3k8d h ALA 168 N 2.24 1.27 0.09 2.45 0.00 -1.26 -3.20 119.26 120.84 3k8d h ALA 168 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 54.91 54.28 3k8d h ALA 168 Cb 0.79 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3k8d h ALA 168 CO 0.00 0.44 -1.68 1.05 0.00 0.00 0.00 179.25 179.05 3k8d h GLU 169 N 0.00 0.18 0.00 0.00 4.11 -1.49 -3.50 114.58 113.89 3k8d h GLU 169 Ca -0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.36 59.11 3k8d h GLU 169 Cb 0.68 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3k8d h GLU 169 CO 0.05 0.98 0.00 0.41 0.07 0.00 0.00 179.01 180.51 3k8d n GLY 170 N 1.71 0.98 1.33 1.06 0.00 -0.97 -5.04 105.19 104.27 3k8d n GLY 170 Ca -0.20 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.31 3k8d n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k8d n LEU 171 N 0.00 4.62 0.02 0.99 4.32 -1.26 -4.03 117.00 121.66 3k8d n LEU 171 Ca 0.00 -2.84 0.11 0.00 -0.02 0.00 0.00 56.01 53.26 3k8d n LEU 171 Cb 0.00 -0.58 0.08 0.00 -1.62 0.00 0.00 43.42 41.30 3k8d n LEU 171 CO 0.00 0.68 0.15 -1.84 -1.22 0.00 0.00 177.39 175.16 3k8d n GLU 172 N 0.19 0.19 -4.19 3.23 0.00 -1.26 -4.93 120.64 113.89 3k8d n GLU 172 Ca 0.24 0.01 -0.16 0.00 0.00 0.00 0.00 57.16 57.24 3k8d n GLU 172 Cb 0.97 -1.58 -0.11 0.00 0.00 0.00 0.00 31.44 30.72 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 -3.13 1.06 0.01 3.84 -4.23 -1.26 -4.71 115.64 107.22 3k8d s THR 173 Ca 0.06 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 3k8d s THR 173 Cb 0.15 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.69 3k8d s THR 173 CO 0.77 -0.43 -0.06 0.68 -0.54 0.00 0.00 174.62 175.05 3k8d s VAL 174 N -2.01 0.43 0.00 2.29 -7.23 -1.26 -4.95 120.40 107.67 3k8d s VAL 174 Ca 0.04 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 3k8d s VAL 174 Cb -0.06 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.48 3k8d s VAL 174 CO 0.01 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 3k8d n GLY 175 N 2.55 -1.77 2.72 2.32 0.00 -1.26 -4.95 105.19 104.81 3k8d n GLY 175 Ca -0.15 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.55 6.74 -0.16 1.61 8.00 -1.26 -4.57 116.55 126.36 3k8d n ASP 176 Ca 0.00 -3.71 0.00 0.00 0.71 0.00 0.00 54.79 51.79 3k8d n ASP 176 Cb 0.00 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 3k8d n ASP 176 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3k8d n ASN 177 N -0.16 0.00 -4.88 -2.24 2.04 -1.26 -5.09 115.26 103.66 3k8d n ASN 177 Ca 0.44 -1.20 -0.34 0.00 -0.44 0.00 0.00 54.58 53.04 3k8d n ASN 177 Cb 0.30 -0.04 -0.05 0.00 -2.53 0.00 0.00 39.78 37.45 3k8d n ASN 177 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 3k8d s PHE 178 N 0.00 3.56 -0.08 -2.53 0.40 -1.26 -4.69 117.98 113.38 3k8d s PHE 178 Ca 0.00 0.65 0.02 0.00 -0.60 0.00 0.00 56.93 57.00 3k8d s PHE 178 Cb 0.00 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.49 3k8d s PHE 178 CO 0.00 0.53 -0.13 -0.51 0.70 0.00 0.00 175.22 175.81 3k8d s LEU 179 N -2.04 1.66 -0.18 -0.37 1.43 -1.26 -1.51 118.68 116.40 3k8d s LEU 179 Ca 0.33 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 3k8d s LEU 179 Cb -0.13 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 3k8d s LEU 179 CO 0.19 0.03 0.38 -0.60 0.23 0.00 0.00 176.35 176.59 3k8d s ARG 180 N 0.74 4.21 0.01 1.70 3.52 0.12 -2.28 118.95 126.97 3k8d s ARG 180 Ca -0.13 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 3k8d s ARG 180 Cb -0.16 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 3k8d s ARG 180 CO 0.03 0.04 1.00 -1.58 -0.81 0.00 0.00 175.30 173.98 3k8d s HIS 181 N 1.06 3.64 0.26 5.12 5.65 0.21 -1.16 115.29 130.08 3k8d s HIS 181 Ca 0.19 1.66 -0.15 0.00 0.25 0.00 0.00 55.06 57.02 3k8d s HIS 181 Cb -0.14 -3.15 -0.08 0.00 -1.18 0.00 0.00 32.58 28.03 3k8d s HIS 181 CO 0.07 -0.13 0.68 -0.51 -0.65 0.00 0.00 174.74 174.20 3k8d s LEU 182 N 0.96 4.17 -1.51 8.88 1.02 -0.71 -4.69 118.68 126.80 3k8d s LEU 182 Ca 0.52 1.22 -0.12 0.00 0.02 0.00 0.00 54.13 55.78 3k8d s LEU 182 Cb -0.22 -3.81 -0.03 0.00 0.02 0.00 0.00 46.19 42.15 3k8d s LEU 182 CO 0.28 -0.10 2.57 0.61 0.02 0.00 0.00 176.35 179.73 3k8d n GLY 183 N 0.04 4.27 3.07 -3.19 0.00 -1.26 -4.69 105.19 103.42 3k8d n GLY 183 Ca 0.01 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 2.76 -0.02 -0.02 -0.61 2.07 -1.26 -1.57 121.20 122.55 3k8d s ILE 184 Ca 0.58 0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.91 3k8d s ILE 184 Cb 0.16 -0.33 -0.00 0.00 0.13 0.00 0.00 42.46 42.42 3k8d s ILE 184 CO -0.07 0.03 -0.08 -0.31 -1.91 0.00 0.00 174.94 172.60 3k8d s TYR 185 N 0.64 0.82 -0.15 3.50 1.51 -0.23 -4.39 117.35 119.05 3k8d s TYR 185 Ca -0.04 -0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 55.79 3k8d s TYR 185 Cb -0.06 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.19 3k8d s TYR 185 CO -0.04 -0.06 0.01 0.20 -1.11 0.00 0.00 175.55 174.55 3k8d s GLY 186 N 0.05 1.81 -0.08 0.71 0.00 0.14 0.02 107.32 109.98 3k8d s GLY 186 Ca -0.01 -0.79 -0.28 0.00 0.00 0.00 0.00 44.72 43.64 3k8d s GLY 186 CO 0.00 -0.11 0.65 -2.52 0.00 0.00 0.00 173.10 171.11 3k8d s TYR 187 N 0.14 -0.63 0.61 1.90 -0.85 -0.47 -1.07 117.35 116.97 3k8d s TYR 187 Ca 0.01 1.16 -0.14 0.00 -0.52 0.00 0.00 57.07 57.58 3k8d s TYR 187 Cb -0.13 0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 3k8d s TYR 187 CO 0.02 -0.55 1.05 1.03 -1.52 0.00 0.00 175.55 175.57 3k8d s ARG 188 N -0.96 3.30 0.34 -3.49 0.52 -1.26 -1.24 118.95 116.17 3k8d s ARG 188 Ca -0.09 1.09 0.05 0.00 -0.52 0.00 0.00 55.73 56.26 3k8d s ARG 188 Cb -0.01 -2.04 0.70 0.00 0.52 0.00 0.00 34.95 34.13 3k8d s ARG 188 CO 0.08 -0.81 1.91 0.00 0.02 0.00 0.00 175.30 176.50 3k8d h ALA 189 N 0.16 1.69 -0.42 2.13 0.00 -0.91 -1.01 119.26 120.90 3k8d h ALA 189 Ca -0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3k8d h ALA 189 Cb 1.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3k8d h ALA 189 CO 0.58 0.14 0.11 0.78 0.00 0.00 0.00 179.25 180.86 3k8d h GLY 190 N 0.82 0.66 1.22 0.00 0.00 -1.51 -1.84 103.07 102.40 3k8d h GLY 190 Ca 0.39 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 3k8d h GLY 190 CO -0.16 0.32 -0.33 -2.75 0.00 0.00 0.00 176.54 173.62 3k8d h PHE 191 N 0.60 1.02 -0.87 5.60 3.57 -1.46 -2.10 116.94 123.31 3k8d h PHE 191 Ca 0.14 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 3k8d h PHE 191 Cb 0.21 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3k8d h PHE 191 CO 0.01 1.08 0.46 0.82 -2.23 0.00 0.00 178.31 178.45 3k8d h ILE 192 N 0.73 1.25 -0.41 1.41 2.04 -0.95 0.82 117.51 122.39 3k8d h ILE 192 Ca 0.07 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.30 3k8d h ILE 192 Cb 0.90 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3k8d h ILE 192 CO 0.08 0.29 0.25 0.03 0.00 0.00 0.00 178.15 178.80 3k8d h ARG 193 N 1.22 0.49 -0.80 2.37 3.08 -1.21 -2.55 114.38 116.98 3k8d h ARG 193 Ca 0.30 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 3k8d h ARG 193 Cb 0.05 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3k8d h ARG 193 CO -0.05 0.33 0.38 -0.09 -1.07 0.00 0.00 179.97 179.47 3k8d h ARG 194 N 0.51 1.16 -0.32 0.04 2.43 -0.82 -2.45 114.38 114.92 3k8d h ARG 194 Ca 0.16 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3k8d h ARG 194 Cb -0.01 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.28 3k8d h ARG 194 CO -0.06 0.90 0.01 -0.92 -1.51 0.00 0.00 179.97 178.39 3k8d h TYR 195 N 1.13 0.00 0.00 2.20 5.03 -0.46 -2.10 116.97 122.78 3k8d h TYR 195 Ca 0.27 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.61 3k8d h TYR 195 Cb 0.13 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.46 3k8d h TYR 195 CO 0.01 -0.04 0.00 1.33 -1.32 0.00 0.00 178.16 178.14 3k8d n VAL 196 N -5.16 0.43 0.19 1.81 0.24 -1.01 -2.74 118.33 112.09 3k8d n VAL 196 Ca 0.01 -0.18 0.08 0.00 -2.04 0.00 0.00 64.34 62.20 3k8d n VAL 196 Cb 0.16 -0.58 0.20 0.00 -1.47 0.00 0.00 33.84 32.15 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 -3.97 -1.34 2.35 -0.90 -3.45 115.58 108.26 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 0.65 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.10 3k8d h ASN 197 CO 0.00 0.26 0.55 0.26 -1.65 0.00 0.00 177.43 176.85 3k8d s TRP 198 N -3.22 2.82 0.42 1.19 0.51 -0.97 -5.02 118.94 114.67 3k8d s TRP 198 Ca 0.04 1.47 -0.25 0.00 -2.12 0.00 0.00 56.10 55.24 3k8d s TRP 198 Cb 0.07 -3.54 -0.08 0.00 -0.81 0.00 0.00 33.47 29.11 3k8d s TRP 198 CO 0.69 -1.86 1.26 -0.65 -0.51 0.00 0.00 176.95 175.88 3k8d s GLN 199 N -2.47 3.89 0.44 4.98 -1.52 -1.26 -4.96 119.66 118.75 3k8d s GLN 199 Ca 0.61 2.05 -0.24 0.00 -1.95 0.00 0.00 55.36 55.83 3k8d s GLN 199 Cb -0.34 -2.65 -0.09 0.00 -0.22 0.00 0.00 33.01 29.70 3k8d s GLN 199 CO 0.42 -0.53 1.16 -2.30 -0.25 0.00 0.00 175.29 173.80 3k8d n PRO 200 N -0.06 1.62 -2.98 2.91 -0.02 -1.26 -4.98 135.00 130.23 3k8d n PRO 200 Ca 0.05 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 3k8d n PRO 200 Cb 0.45 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 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 -0.69 6.81 0.30 2.55 1.04 -1.26 -4.97 113.70 117.46 3k8d s SER 201 Ca 0.64 1.42 0.00 0.00 0.48 0.00 0.00 55.95 58.50 3k8d s SER 201 Cb -0.51 -2.43 0.45 0.00 0.10 0.00 0.00 66.02 63.63 3k8d s SER 201 CO 0.56 -0.29 1.83 -0.65 0.98 0.00 0.00 173.24 175.68 3k8d h PRO 202 N 2.01 0.73 -0.55 4.02 0.11 -1.99 -3.18 132.00 133.15 3k8d h PRO 202 Ca -0.48 -0.16 0.03 0.00 0.11 0.00 0.00 66.00 65.50 3k8d h PRO 202 Cb 1.18 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3k8d h PRO 202 CO 0.64 0.69 0.33 1.25 -0.21 0.00 0.00 178.00 180.70 3k8d h LEU 203 N 0.71 0.54 -1.55 2.35 5.85 -1.95 -2.53 115.31 118.72 3k8d h LEU 203 Ca 0.15 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3k8d h LEU 203 Cb 0.32 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3k8d h LEU 203 CO 0.00 0.38 -0.09 1.05 -0.34 0.00 0.00 178.44 179.44 3k8d h GLU 204 N 0.66 0.17 0.00 1.25 4.11 -1.79 -2.53 114.58 116.45 3k8d h GLU 204 Ca 0.22 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.45 3k8d h GLU 204 Cb 0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3k8d h GLU 204 CO -0.10 0.28 -0.83 0.45 0.07 0.00 0.00 179.01 178.88 3k8d h HIS 205 N 0.17 0.00 0.35 2.06 3.86 -1.55 0.53 115.15 120.56 3k8d h HIS 205 Ca 0.04 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3k8d h HIS 205 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3k8d h HIS 205 CO 0.00 0.83 -0.17 0.82 0.86 0.00 0.00 177.93 180.28 3k8d h ILE 206 N 0.00 0.49 0.00 2.45 2.04 -1.16 -3.29 117.51 118.04 3k8d h ILE 206 Ca -0.01 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3k8d h ILE 206 Cb 1.50 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3k8d h ILE 206 CO 0.11 0.10 0.00 -0.33 0.00 0.00 0.00 178.15 178.03 3k8d h GLU 207 N -0.93 0.00 -5.78 2.37 4.39 -1.57 -3.47 114.58 109.59 3k8d h GLU 207 Ca -0.05 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.30 3k8d h GLU 207 Cb 0.53 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.31 3k8d h GLU 207 CO 0.08 0.00 -0.79 -1.33 -1.16 0.00 0.00 179.01 175.81 3k8d n MET 208 N -2.84 -5.85 -3.77 2.33 2.81 0.13 -4.87 117.12 105.06 3k8d n MET 208 Ca 0.03 0.78 -0.29 0.00 -1.81 0.00 0.00 57.70 56.41 3k8d n MET 208 Cb 0.42 -5.64 -0.16 0.00 -0.71 0.00 0.00 33.22 27.13 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 -6.41 1.81 0.50 4.03 1.43 -0.93 -5.02 118.68 114.09 3k8d s LEU 209 Ca 0.03 -1.18 0.23 0.00 -1.03 0.00 0.00 54.13 52.18 3k8d s LEU 209 Cb -0.00 -0.80 1.30 0.00 0.03 0.00 0.00 46.19 46.71 3k8d s LEU 209 CO 0.76 -0.33 2.04 1.05 0.23 0.00 0.00 176.35 180.10 3k8d h GLU 210 N 8.14 0.00 0.00 1.70 4.11 -1.95 -2.23 114.58 124.35 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 0.40 0.15 0.00 -0.56 0.07 0.00 0.00 179.01 179.06 3k8d h GLN 211 N 0.00 0.00 0.00 1.06 -0.00 -1.96 -2.76 115.11 111.45 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 0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.81 3k8d h GLN 211 CO 0.02 0.00 -0.04 -0.07 -0.00 0.00 0.00 178.83 178.74 3k8d h LEU 212 N 0.00 0.00 -0.89 0.06 3.38 -1.79 -2.31 115.31 113.75 3k8d h LEU 212 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3k8d h LEU 212 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 3k8d h LEU 212 CO 0.00 0.04 0.56 -0.09 0.09 0.00 0.00 178.44 179.04 3k8d h ARG 213 N 0.00 0.97 -0.17 1.13 2.43 -1.70 -0.46 114.38 116.59 3k8d h ARG 213 Ca -0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3k8d h ARG 213 Cb 0.41 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3k8d h ARG 213 CO 0.01 0.64 0.07 0.28 -1.51 0.00 0.00 179.97 179.46 3k8d h VAL 214 N 1.00 1.14 -0.62 0.20 2.07 -1.63 -2.32 116.25 116.09 3k8d h VAL 214 Ca 0.40 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 3k8d h VAL 214 Cb 0.20 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3k8d h VAL 214 CO -0.18 0.13 0.10 -0.07 0.02 0.00 0.00 177.57 177.56 3k8d h LEU 215 N 0.13 0.97 -1.16 2.57 3.38 -1.52 -2.31 115.31 117.37 3k8d h LEU 215 Ca 0.06 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.87 3k8d h LEU 215 Cb 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3k8d h LEU 215 CO -0.01 0.97 0.58 -0.25 0.09 0.00 0.00 178.44 179.83 3k8d h TRP 216 N 0.95 1.03 -0.30 1.13 2.91 -0.89 -1.24 115.95 119.54 3k8d h TRP 216 Ca 0.19 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.24 3k8d h TRP 216 Cb 0.42 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.73 3k8d h TRP 216 CO 0.03 0.54 0.00 0.66 -1.03 0.00 0.00 178.44 178.64 3k8d n TYR 217 N -4.49 0.43 -1.01 2.65 4.01 -0.89 -4.91 117.16 112.96 3k8d n TYR 217 Ca 0.13 -0.21 -0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3k8d n TYR 217 Cb 0.20 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.95 0.46 3.91 2.72 0.00 -0.47 -5.04 105.19 107.71 3k8d n GLY 218 Ca 0.10 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.92 3.61 0.22 1.61 0.41 -0.90 -5.02 118.70 117.70 3k8d s GLU 219 Ca 0.00 -0.10 -0.10 0.00 -0.41 0.00 0.00 54.97 54.36 3k8d s GLU 219 Cb 0.00 -2.74 -0.07 0.00 -1.78 0.00 0.00 34.13 29.54 3k8d s GLU 219 CO 0.00 0.32 0.55 0.15 -0.49 0.00 0.00 175.26 175.79 3k8d s LYS 220 N -3.29 3.82 -0.16 1.61 1.02 -1.26 -4.09 119.74 117.40 3k8d s LYS 220 Ca 0.42 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.71 3k8d s LYS 220 Cb -0.11 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 3k8d s LYS 220 CO 0.28 0.33 -0.14 0.42 -0.92 0.00 0.00 175.35 175.32 3k8d s ILE 221 N -1.78 1.62 0.03 2.17 1.01 -1.26 -4.08 121.20 118.91 3k8d s ILE 221 Ca 0.46 -0.69 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 3k8d s ILE 221 Cb -0.12 -1.53 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 3k8d s ILE 221 CO 0.21 0.44 0.68 -2.28 0.00 0.00 0.00 174.94 173.99 3k8d s HIS 222 N 1.46 3.73 -0.25 3.97 5.65 -0.71 -0.99 115.29 128.15 3k8d s HIS 222 Ca 0.04 1.35 0.02 0.00 0.25 0.00 0.00 55.06 56.73 3k8d s HIS 222 Cb -0.13 -2.71 0.05 0.00 -1.18 0.00 0.00 32.58 28.61 3k8d s HIS 222 CO -0.11 0.34 -0.11 0.08 -0.65 0.00 0.00 174.74 174.29 3k8d s VAL 223 N -0.24 2.26 0.45 0.89 1.01 -0.36 -0.36 120.40 124.05 3k8d s VAL 223 Ca 0.35 -1.50 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 3k8d s VAL 223 Cb -0.20 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 3k8d s VAL 223 CO 0.20 0.04 0.93 0.00 0.00 0.00 0.00 175.10 176.28 3k8d s ALA 224 N 1.15 3.10 -0.18 5.51 0.00 -0.61 -4.80 121.76 125.93 3k8d s ALA 224 Ca -0.07 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 3k8d s ALA 224 Cb -0.19 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3k8d s ALA 224 CO -0.06 -0.01 -0.11 0.08 0.00 0.00 0.00 175.76 175.67 3k8d s VAL 225 N -2.36 2.98 -0.11 0.00 1.01 -1.26 -0.53 120.40 120.13 3k8d s VAL 225 Ca 0.59 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 3k8d s VAL 225 Cb -0.10 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3k8d s VAL 225 CO 0.22 0.48 0.05 0.00 0.00 0.00 0.00 175.10 175.85 3k8d s ALA 226 N 1.02 3.45 0.10 5.51 0.00 -0.46 -4.97 121.76 126.41 3k8d s ALA 226 Ca -0.01 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 3k8d s ALA 226 Cb -0.15 -1.68 -0.14 0.00 0.00 0.00 0.00 23.12 21.15 3k8d s ALA 226 CO -0.02 0.51 1.33 1.96 0.00 0.00 0.00 175.76 179.55 3k8d h GLN 227 N 5.43 0.78 -3.86 0.00 1.08 -1.99 -3.37 115.11 113.18 3k8d h GLN 227 Ca -0.49 -0.57 -0.49 0.00 -1.45 0.00 0.00 58.65 55.65 3k8d h GLN 227 Cb 1.20 0.10 -0.38 0.00 -0.05 0.00 0.00 27.48 28.35 3k8d h GLN 227 CO 0.58 1.19 -0.78 -1.21 -0.95 0.00 0.00 178.83 177.67 3k8d s GLU 228 N -3.89 0.94 -0.24 1.46 0.41 -1.26 -4.53 118.70 111.58 3k8d s GLU 228 Ca -0.11 -0.15 -0.04 0.00 -0.41 0.00 0.00 54.97 54.26 3k8d s GLU 228 Cb 0.09 -1.45 0.09 0.00 -1.78 0.00 0.00 34.13 31.07 3k8d s GLU 228 CO 0.88 -0.37 0.13 0.08 -0.49 0.00 0.00 175.26 175.50 3k8d s VAL 229 N 1.85 -0.12 0.64 2.63 1.01 -1.26 -5.13 120.40 120.01 3k8d s VAL 229 Ca 0.03 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 3k8d s VAL 229 Cb -0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 3k8d s VAL 229 CO -0.07 -0.50 1.27 -2.84 0.00 0.00 0.00 175.10 172.96 3k8d s PRO 230 N 2.15 2.62 0.58 2.72 0.02 -1.26 -4.84 135.00 136.99 3k8d s PRO 230 Ca 0.06 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.07 3k8d s PRO 230 Cb -0.16 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.50 3k8d s PRO 230 CO -0.24 -1.52 0.00 0.41 -0.33 0.00 0.00 177.00 175.32 3k8d n GLY 231 N 0.77 -1.79 3.60 0.52 0.00 -1.26 -4.87 105.19 102.15 3k8d n GLY 231 Ca 0.15 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 0.71 2.61 -1.32 -1.26 -5.14 115.64 111.24 3k8d s THR 232 Ca 0.00 -0.33 -0.11 0.00 -1.21 0.00 0.00 61.69 60.05 3k8d s THR 232 Cb 0.00 -1.39 0.02 0.00 -1.51 0.00 0.00 72.50 69.61 3k8d s THR 232 CO 0.00 0.00 1.07 -0.83 -2.21 0.00 0.00 174.62 172.65 3k8d s GLY 233 N -2.74 1.68 -0.55 6.08 0.00 -1.26 -4.71 107.32 105.81 3k8d s GLY 233 Ca 0.06 0.12 -0.05 0.00 0.00 0.00 0.00 44.72 44.86 3k8d s GLY 233 CO -0.05 0.44 0.38 0.14 0.00 0.00 0.00 173.10 174.01 3k8d s VAL 234 N -3.01 3.87 -0.01 1.40 1.01 0.31 -4.84 120.40 119.12 3k8d s VAL 234 Ca 0.59 -2.41 0.06 0.00 0.00 0.00 0.00 61.98 60.22 3k8d s VAL 234 Cb -0.15 -3.54 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 3k8d s VAL 234 CO 0.55 -0.82 0.12 0.47 0.00 0.00 0.00 175.10 175.42 3k8d n ASP 235 N 4.15 3.74 -4.30 3.32 8.00 -1.26 -4.80 116.55 125.39 3k8d n ASP 235 Ca 0.02 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.36 3k8d n ASP 235 Cb 0.40 1.23 -0.10 0.00 -0.02 0.00 0.00 41.12 42.63 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 -2.37 1.14 0.36 -3.53 -4.23 -1.26 -3.84 115.64 101.90 3k8d s THR 236 Ca -0.02 -2.06 0.12 0.00 -1.18 0.00 0.00 61.69 58.55 3k8d s THR 236 Cb 0.03 -2.14 0.34 0.00 1.34 0.00 0.00 72.50 72.08 3k8d s THR 236 CO 0.23 -0.50 1.80 -0.65 -0.54 0.00 0.00 174.62 174.96 3k8d h PRO 237 N 2.59 0.57 -0.42 3.99 0.11 -1.98 -0.93 132.00 135.94 3k8d h PRO 237 Ca -0.38 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 3k8d h PRO 237 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3k8d h PRO 237 CO 0.64 0.38 -0.13 0.93 -0.21 0.00 0.00 178.00 179.61 3k8d h GLU 238 N 0.59 0.76 -0.50 1.05 3.07 -1.97 -2.39 114.58 115.20 3k8d h GLU 238 Ca 0.54 -0.26 -0.04 0.00 -0.50 0.00 0.00 59.36 59.10 3k8d h GLU 238 Cb 1.08 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 3k8d h GLU 238 CO -0.29 0.85 0.15 -0.44 -1.40 0.00 0.00 179.01 177.89 3k8d h ASP 239 N 0.68 0.72 -0.43 1.42 3.32 -1.54 -2.38 116.42 118.22 3k8d h ASP 239 Ca 0.11 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3k8d h ASP 239 Cb 0.61 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3k8d h ASP 239 CO 0.04 0.74 0.27 0.25 -1.72 0.00 0.00 179.24 178.82 3k8d h LEU 240 N 0.67 0.45 -0.74 1.55 5.85 -1.12 0.58 115.31 122.55 3k8d h LEU 240 Ca 0.16 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3k8d h LEU 240 Cb 0.27 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3k8d h LEU 240 CO -0.00 0.33 0.36 -0.33 -0.34 0.00 0.00 178.44 178.45 3k8d h GLU 241 N 0.55 1.06 -0.42 1.25 4.39 -1.37 0.80 114.58 120.84 3k8d h GLU 241 Ca 0.16 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3k8d h GLU 241 Cb -0.03 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 3k8d h GLU 241 CO -0.06 0.83 0.21 -0.09 -1.16 0.00 0.00 179.01 178.74 3k8d h ARG 242 N 1.04 0.60 -0.33 2.33 2.43 -0.87 -2.23 114.38 117.35 3k8d h ARG 242 Ca 0.25 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 3k8d h ARG 242 Cb 0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3k8d h ARG 242 CO -0.03 0.52 -0.30 0.28 -1.51 0.00 0.00 179.97 178.93 3k8d h VAL 243 N 0.54 1.28 -0.90 0.20 2.07 -0.59 -1.58 116.25 117.26 3k8d h VAL 243 Ca 0.15 -1.43 0.06 0.00 0.82 0.00 0.00 66.70 66.30 3k8d h VAL 243 Cb 0.11 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3k8d h VAL 243 CO -0.02 0.47 0.59 0.03 0.02 0.00 0.00 177.57 178.65 3k8d h ARG 244 N 0.60 1.00 0.00 1.57 3.08 -0.65 -1.02 114.38 118.97 3k8d h ARG 244 Ca 0.07 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 3k8d h ARG 244 Cb 0.81 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3k8d h ARG 244 CO 0.07 0.66 -0.90 0.00 -1.07 0.00 0.00 179.97 178.73 3k8d h ALA 245 N 1.51 0.47 0.00 0.04 0.00 -1.10 -3.34 119.26 116.83 3k8d h ALA 245 Ca 0.38 -0.72 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3k8d h ALA 245 Cb 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3k8d h ALA 245 CO -0.14 0.88 -1.01 0.93 0.00 0.00 0.00 179.25 179.92 3k8d h GLU 246 N 0.15 0.00 -0.01 0.00 5.08 -0.69 -3.52 114.58 115.59 3k8d h GLU 246 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3k8d h GLU 246 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 3k8d h GLU 246 CO 0.14 0.48 0.00 -1.33 -1.00 0.00 0.00 179.01 177.30