#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 -0.19 -0.15 7.33 -0.71 -1.26 -4.59 117.98 118.41 3k8d s PHE 3 Ca 0.00 -0.04 -0.03 0.00 -1.04 0.00 0.00 56.93 55.81 3k8d s PHE 3 Cb 0.00 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 3k8d s PHE 3 CO 0.00 -0.64 -0.03 0.08 -1.34 0.00 0.00 175.22 173.28 3k8d s VAL 4 N -3.36 3.93 -0.18 -2.49 1.01 -0.33 -1.99 120.40 116.99 3k8d s VAL 4 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 3k8d s VAL 4 Cb 0.01 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 3k8d s VAL 4 CO -0.09 0.51 0.20 -0.69 0.00 0.00 0.00 175.10 175.02 3k8d s VAL 5 N 0.21 5.37 -0.11 2.92 1.01 -0.03 -0.48 120.40 129.29 3k8d s VAL 5 Ca -0.02 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3k8d s VAL 5 Cb -0.14 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3k8d s VAL 5 CO 0.03 0.42 -0.19 -0.63 0.00 0.00 0.00 175.10 174.73 3k8d s ILE 6 N 0.39 1.74 -0.35 2.22 1.01 -0.73 -0.98 121.20 124.51 3k8d s ILE 6 Ca 0.11 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 3k8d s ILE 6 Cb -0.12 -1.55 0.04 0.00 0.01 0.00 0.00 42.46 40.84 3k8d s ILE 6 CO 0.00 0.49 0.13 -0.63 0.00 0.00 0.00 174.94 174.93 3k8d s ILE 7 N 0.74 3.92 -0.00 2.92 1.01 0.42 -2.66 121.20 127.55 3k8d s ILE 7 Ca -0.11 -1.12 -0.30 0.00 0.00 0.00 0.00 60.65 59.13 3k8d s ILE 7 Cb -0.16 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 3k8d s ILE 7 CO 0.02 -0.21 0.98 -2.16 0.00 0.00 0.00 174.94 173.56 3k8d s PRO 8 N 1.42 4.55 -0.44 2.79 0.04 -1.26 -0.34 135.00 141.77 3k8d s PRO 8 Ca -0.01 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.50 3k8d s PRO 8 Cb -0.20 -3.46 0.17 0.00 0.04 0.00 0.00 34.50 31.05 3k8d s PRO 8 CO 0.03 -0.06 0.48 0.00 0.04 0.00 0.00 177.00 177.49 3k8d s ALA 9 N 1.05 -0.15 0.57 8.56 0.00 0.67 -3.01 121.76 129.45 3k8d s ALA 9 Ca 0.52 -1.48 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 3k8d s ALA 9 Cb -0.21 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 3k8d s ALA 9 CO 0.28 -2.10 1.03 -0.98 0.00 0.00 0.00 175.76 173.99 3k8d s ARG 10 N 0.60 3.53 -0.00 0.00 1.70 -1.26 -4.30 118.95 119.22 3k8d s ARG 10 Ca 0.29 1.13 -0.19 0.00 -0.47 0.00 0.00 55.73 56.48 3k8d s ARG 10 Cb -0.01 -2.07 -0.28 0.00 -0.57 0.00 0.00 34.95 32.02 3k8d s ARG 10 CO -0.11 -0.63 1.03 -0.92 -1.08 0.00 0.00 175.30 173.58 3k8d h TYR 11 N 0.62 0.68 -0.96 5.89 3.20 -1.96 -3.41 116.97 121.03 3k8d h TYR 11 Ca -0.47 -0.43 -0.73 0.00 3.14 0.00 0.00 58.73 60.24 3k8d h TYR 11 Cb 1.21 -0.06 -0.10 0.00 1.54 0.00 0.00 36.73 39.32 3k8d h TYR 11 CO 0.60 1.28 2.62 0.00 -1.64 0.00 0.00 178.16 181.02 3k8d n ALA 12 N -2.64 6.61 -1.76 1.82 0.00 -1.26 -1.95 120.51 121.33 3k8d n ALA 12 Ca -0.12 -4.03 -0.38 0.00 0.00 0.00 0.00 53.44 48.91 3k8d n ALA 12 Cb 0.80 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 17.31 3k8d n ALA 12 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k8d s SER 13 N 0.88 5.98 -0.10 0.00 0.01 -1.26 -4.92 113.70 114.28 3k8d s SER 13 Ca 0.54 2.49 0.04 0.00 1.31 0.00 0.00 55.95 60.32 3k8d s SER 13 Cb 0.16 -2.62 -0.24 0.00 0.21 0.00 0.00 66.02 63.53 3k8d s SER 13 CO -0.07 -1.07 0.45 0.35 0.41 0.00 0.00 173.24 173.32 3k8d n THR 14 N -0.49 1.67 0.14 1.44 -2.24 -1.26 -3.13 114.28 110.42 3k8d n THR 14 Ca 0.07 -0.73 0.05 0.00 -2.27 0.00 0.00 64.05 61.18 3k8d n THR 14 Cb 0.46 -1.34 0.05 0.00 -2.10 0.00 0.00 70.33 67.40 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 0.03 0.00 -1.89 -0.78 3.08 -1.94 -3.40 114.38 109.49 3k8d h ARG 15 Ca -0.38 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.29 3k8d h ARG 15 Cb 2.03 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 31.78 3k8d h ARG 15 CO 0.07 0.31 -0.72 -1.17 -1.07 0.00 0.00 179.97 177.39 3k8d s LEU 16 N -6.22 0.03 0.27 3.04 2.96 -1.25 -4.45 118.68 113.07 3k8d s LEU 16 Ca 0.03 -1.92 -0.29 0.00 -0.22 0.00 0.00 54.13 51.73 3k8d s LEU 16 Cb 0.07 0.56 -0.14 0.00 0.50 0.00 0.00 46.19 47.19 3k8d s LEU 16 CO 0.74 -0.21 1.18 -2.65 -1.32 0.00 0.00 176.35 174.10 3k8d n PRO 17 N 3.76 1.66 -2.18 0.98 -0.02 -1.18 -2.56 135.00 135.46 3k8d n PRO 17 Ca 0.16 0.59 -0.19 0.00 -2.02 0.00 0.00 63.50 62.03 3k8d n PRO 17 Cb 0.47 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.42 0.12 0.29 -1.23 0.00 -0.82 -4.90 105.19 100.06 3k8d n GLY 18 Ca 0.10 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 1.61 2.10 -1.60 -1.34 116.57 117.35 3k8d h LYS 19 Ca -0.45 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.20 3k8d h LYS 19 Cb 1.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 3k8d h LYS 19 CO 0.55 0.02 -0.03 -1.35 -2.00 0.00 0.00 179.45 176.64 3k8d h PRO 20 N 0.00 0.00 -0.14 0.07 0.11 -1.84 -2.28 132.00 127.92 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 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3k8d h PRO 20 CO 0.00 0.03 0.00 1.28 -0.21 0.00 0.00 178.00 179.10 3k8d n LEU 21 N -3.23 3.07 -4.77 2.35 4.77 -0.51 -1.44 117.00 117.24 3k8d n LEU 21 Ca -0.02 -1.17 -0.41 0.00 -0.03 0.00 0.00 56.01 54.39 3k8d n LEU 21 Cb 0.19 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3k8d n LEU 21 CO 0.25 0.57 1.08 0.68 -1.33 0.00 0.00 177.39 178.64 3k8d s VAL 22 N -1.75 2.33 -0.03 4.08 -7.23 -0.86 -4.65 120.40 112.29 3k8d s VAL 22 Ca 0.30 0.33 -0.30 0.00 -1.81 0.00 0.00 61.98 60.50 3k8d s VAL 22 Cb 0.20 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 3k8d s VAL 22 CO 0.29 0.08 1.28 -0.62 -0.31 0.00 0.00 175.10 175.82 3k8d s ASP 23 N -0.22 6.97 -0.39 4.85 2.15 -1.26 -1.47 116.67 127.30 3k8d s ASP 23 Ca 0.52 1.94 0.04 0.00 0.43 0.00 0.00 52.55 55.48 3k8d s ASP 23 Cb -0.44 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 39.73 3k8d s ASP 23 CO 0.58 -0.64 0.11 -0.63 -0.17 0.00 0.00 175.17 174.42 3k8d s ILE 24 N 2.25 2.37 -1.50 4.11 1.01 -0.01 -4.84 121.20 124.58 3k8d s ILE 24 Ca 0.59 -2.64 -0.10 0.00 0.00 0.00 0.00 60.65 58.51 3k8d s ILE 24 Cb -0.28 -2.72 0.07 0.00 0.01 0.00 0.00 42.46 39.54 3k8d s ILE 24 CO 0.24 -0.66 0.79 0.59 0.00 0.00 0.00 174.94 175.90 3k8d n ASN 25 N 3.91 -3.03 0.00 3.58 3.02 -1.26 -2.74 115.26 118.74 3k8d n ASN 25 Ca 0.04 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 3k8d n ASN 25 Cb 0.39 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 36.00 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 0.35 3.01 7.41 0.00 -1.26 -5.07 105.19 107.97 3k8d n GLY 26 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.79 0.48 0.61 1.61 1.02 -1.11 -5.13 119.74 116.42 3k8d s LYS 27 Ca 0.00 -0.47 -0.17 0.00 0.02 0.00 0.00 55.97 55.35 3k8d s LYS 27 Cb 0.00 -0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 36.93 3k8d s LYS 27 CO 0.00 0.08 1.14 -1.25 -0.92 0.00 0.00 175.35 174.40 3k8d s PRO 28 N -0.84 3.01 0.25 -1.68 0.04 -1.26 -0.83 135.00 133.70 3k8d s PRO 28 Ca -0.04 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 3k8d s PRO 28 Cb -0.06 -1.96 0.49 0.00 0.04 0.00 0.00 34.50 33.01 3k8d s PRO 28 CO 0.00 -1.11 1.70 1.98 0.04 0.00 0.00 177.00 179.61 3k8d h MET 29 N 0.62 0.34 -0.35 4.56 1.85 -1.16 -0.70 114.93 120.08 3k8d h MET 29 Ca -0.49 -0.02 0.01 0.00 -0.61 0.00 0.00 59.70 58.59 3k8d h MET 29 Cb 1.26 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 33.20 3k8d h MET 29 CO 0.55 0.22 0.23 0.97 -0.40 0.00 0.00 176.91 178.49 3k8d h ILE 30 N 0.35 1.08 -0.13 1.77 6.09 -1.52 -1.26 117.51 123.88 3k8d h ILE 30 Ca 0.43 -0.16 -0.15 0.00 -1.37 0.00 0.00 64.86 63.61 3k8d h ILE 30 Cb 0.72 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 3k8d h ILE 30 CO -0.47 0.08 -0.57 0.58 -3.07 0.00 0.00 178.15 174.70 3k8d h VAL 31 N 0.45 1.35 -0.57 2.19 2.07 -1.40 -1.76 116.25 118.58 3k8d h VAL 31 Ca 0.13 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 3k8d h VAL 31 Cb -0.02 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3k8d h VAL 31 CO -0.03 0.56 0.33 0.45 0.02 0.00 0.00 177.57 178.90 3k8d h HIS 32 N 0.31 0.78 -0.44 1.57 3.86 -1.03 -1.45 115.15 118.75 3k8d h HIS 32 Ca 0.00 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3k8d h HIS 32 Cb 1.09 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 3k8d h HIS 32 CO 0.03 0.55 0.22 0.28 0.86 0.00 0.00 177.93 179.87 3k8d h VAL 33 N 0.77 1.18 -0.73 2.45 2.07 -1.18 -1.60 116.25 119.21 3k8d h VAL 33 Ca 0.20 -0.49 0.13 0.00 0.82 0.00 0.00 66.70 67.36 3k8d h VAL 33 Cb 0.02 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 30.40 3k8d h VAL 33 CO -0.03 0.19 0.30 0.25 0.02 0.00 0.00 177.57 178.30 3k8d h LEU 34 N 0.56 0.30 -0.76 2.57 5.85 -1.18 -0.54 115.31 122.11 3k8d h LEU 34 Ca 0.15 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3k8d h LEU 34 Cb 0.11 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3k8d h LEU 34 CO -0.02 0.14 0.36 -0.33 -0.34 0.00 0.00 178.44 178.24 3k8d h GLU 35 N 0.47 1.10 -0.76 1.25 5.08 -0.54 -0.06 114.58 121.13 3k8d h GLU 35 Ca 0.39 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3k8d h GLU 35 Cb 0.55 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3k8d h GLU 35 CO -0.37 0.86 0.49 0.00 -1.00 0.00 0.00 179.01 179.00 3k8d h ARG 36 N 1.07 0.97 -0.59 2.33 2.47 -0.52 -1.90 114.38 118.21 3k8d h ARG 36 Ca 0.26 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.86 3k8d h ARG 36 Cb 0.13 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 3k8d h ARG 36 CO -0.03 0.64 0.13 0.00 0.56 0.00 0.00 179.97 181.26 3k8d h ALA 37 N 1.29 1.10 -0.71 0.04 0.00 -0.40 -2.49 119.26 118.10 3k8d h ALA 37 Ca 0.29 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3k8d h ALA 37 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3k8d h ALA 37 CO -0.08 0.59 0.24 0.00 0.00 0.00 0.00 179.25 180.01 3k8d h ARG 38 N 0.89 1.09 0.00 0.00 3.08 -0.73 -2.54 114.38 116.16 3k8d h ARG 38 Ca 0.19 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3k8d h ARG 38 Cb 0.35 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3k8d h ARG 38 CO 0.00 0.92 -0.03 0.93 -1.07 0.00 0.00 179.97 180.73 3k8d h GLU 39 N 1.03 0.00 0.00 0.04 5.08 -0.91 -2.45 114.58 117.38 3k8d h GLU 39 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3k8d h GLU 39 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3k8d h GLU 39 CO -0.01 0.03 0.00 0.66 -1.00 0.00 0.00 179.01 178.69 3k8d h SER 40 N 0.00 0.00 0.00 1.42 4.64 -1.17 -3.47 113.55 114.97 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 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 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 0.75 0.70 3.49 -0.77 0.00 -0.92 -4.79 105.19 103.66 3k8d n GLY 41 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 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 0.06 -1.34 0.16 4.61 0.00 -1.26 -4.88 120.51 117.86 3k8d n ALA 42 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 53.44 53.76 3k8d n ALA 42 Cb 0.00 -1.83 0.25 0.00 0.00 0.00 0.00 19.45 17.87 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 1.29 0.00 -2.76 0.00 4.39 -1.80 -3.44 114.58 112.26 3k8d h GLU 43 Ca -0.37 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.20 3k8d h GLU 43 Cb 1.39 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.79 3k8d h GLU 43 CO 0.56 0.51 -0.26 0.50 -1.16 0.00 0.00 179.01 179.16 3k8d s ARG 44 N -3.70 0.45 -0.09 2.33 3.52 -1.25 -5.07 118.95 115.15 3k8d s ARG 44 Ca -0.01 0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 56.17 3k8d s ARG 44 Cb 0.12 0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.73 3k8d s ARG 44 CO 0.73 -0.07 -0.06 0.42 -0.81 0.00 0.00 175.30 175.52 3k8d s ILE 45 N 0.38 0.81 -0.08 4.11 1.01 -1.26 -0.85 121.20 125.33 3k8d s ILE 45 Ca -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3k8d s ILE 45 Cb -0.04 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.59 3k8d s ILE 45 CO -0.01 0.32 -0.16 -0.63 0.00 0.00 0.00 174.94 174.46 3k8d s ILE 46 N 1.52 1.44 -0.24 2.92 1.01 -0.15 -4.04 121.20 123.67 3k8d s ILE 46 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 3k8d s ILE 46 Cb -0.13 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3k8d s ILE 46 CO -0.05 0.42 0.43 -0.69 0.00 0.00 0.00 174.94 175.06 3k8d s VAL 47 N 0.64 5.15 -0.33 2.92 1.01 -0.04 -0.43 120.40 129.31 3k8d s VAL 47 Ca -0.14 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 62.44 3k8d s VAL 47 Cb -0.16 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3k8d s VAL 47 CO 0.04 0.17 0.28 0.00 0.00 0.00 0.00 175.10 175.59 3k8d s ALA 48 N 1.83 3.51 0.20 5.51 0.00 0.54 -0.73 121.76 132.61 3k8d s ALA 48 Ca 0.19 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.87 3k8d s ALA 48 Cb -0.15 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 3k8d s ALA 48 CO 0.09 -0.96 0.07 -0.08 0.00 0.00 0.00 175.76 174.88 3k8d s THR 49 N 1.83 0.41 -0.38 0.00 -1.32 -0.91 -0.23 115.64 115.03 3k8d s THR 49 Ca 0.08 -1.98 0.07 0.00 -1.21 0.00 0.00 61.69 58.65 3k8d s THR 49 Cb -0.17 -2.37 0.19 0.00 -1.51 0.00 0.00 72.50 68.63 3k8d s THR 49 CO 0.11 -0.21 1.14 -0.90 -2.21 0.00 0.00 174.62 172.56 3k8d n ASP 50 N -0.30 2.54 -3.83 8.08 5.75 -1.26 -0.78 116.55 126.74 3k8d n ASP 50 Ca -0.02 -2.18 -0.17 0.00 -0.01 0.00 0.00 54.79 52.40 3k8d n ASP 50 Cb 0.65 -0.17 -0.16 0.00 -1.03 0.00 0.00 41.12 40.41 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 -1.32 0.35 0.36 2.11 5.04 -1.26 -4.89 115.29 115.68 3k8d s HIS 51 Ca 0.15 -0.02 0.05 0.00 -1.54 0.00 0.00 55.06 53.70 3k8d s HIS 51 Cb 0.10 -0.42 0.68 0.00 0.04 0.00 0.00 32.58 32.98 3k8d s HIS 51 CO 0.07 -0.13 1.93 0.93 -2.34 0.00 0.00 174.74 175.21 3k8d h GLU 52 N 7.16 0.53 -0.04 2.88 5.08 -1.99 -1.90 114.58 126.31 3k8d h GLU 52 Ca -0.42 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 57.73 3k8d h GLU 52 Cb 1.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3k8d h GLU 52 CO 0.48 0.49 -0.55 -0.44 -1.00 0.00 0.00 179.01 177.99 3k8d h ASP 53 N 0.53 0.12 -0.21 1.42 3.32 -1.99 -0.06 116.42 119.54 3k8d h ASP 53 Ca 0.12 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3k8d h ASP 53 Cb 0.20 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3k8d h ASP 53 CO -0.00 0.64 -0.03 0.58 -1.72 0.00 0.00 179.24 178.71 3k8d h VAL 54 N 0.08 1.28 -0.52 -1.35 2.07 -1.86 -2.54 116.25 113.41 3k8d h VAL 54 Ca -0.00 -0.98 0.08 0.00 0.82 0.00 0.00 66.70 66.61 3k8d h VAL 54 Cb 0.99 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 3k8d h VAL 54 CO 0.08 0.30 0.15 0.00 0.02 0.00 0.00 177.57 178.12 3k8d h ALA 55 N 0.76 0.62 -0.76 1.67 0.00 -0.98 -2.27 119.26 118.30 3k8d h ALA 55 Ca 0.06 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3k8d h ALA 55 Cb 0.47 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3k8d h ALA 55 CO 0.02 -0.26 0.33 0.00 0.00 0.00 0.00 179.25 179.34 3k8d h ARG 56 N 0.31 1.12 -0.85 0.00 3.08 -0.98 -0.21 114.38 116.85 3k8d h ARG 56 Ca 0.26 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3k8d h ARG 56 Cb 0.32 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3k8d h ARG 56 CO -0.29 0.90 0.41 0.00 -1.07 0.00 0.00 179.97 179.91 3k8d h ALA 57 N 1.17 1.10 -0.15 0.04 0.00 -1.04 0.64 119.26 121.01 3k8d h ALA 57 Ca 0.26 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3k8d h ALA 57 Cb 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3k8d h ALA 57 CO -0.03 0.66 -0.22 0.28 0.00 0.00 0.00 179.25 179.94 3k8d h VAL 58 N 1.21 1.36 -0.65 0.00 2.07 -1.08 -2.86 116.25 116.30 3k8d h VAL 58 Ca 0.29 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 3k8d h VAL 58 Cb 0.11 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3k8d h VAL 58 CO -0.04 0.43 0.27 -0.33 0.02 0.00 0.00 177.57 177.92 3k8d h GLU 59 N 0.04 0.94 0.00 1.57 5.08 -0.85 -0.35 114.58 121.01 3k8d h GLU 59 Ca 0.02 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3k8d h GLU 59 Cb 0.79 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3k8d h GLU 59 CO 0.05 0.76 -0.07 0.00 -1.00 0.00 0.00 179.01 178.76 3k8d h ALA 60 N 1.36 1.27 -0.37 3.43 0.00 -0.82 -0.11 119.26 124.03 3k8d h ALA 60 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k8d h ALA 60 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3k8d h ALA 60 CO -0.02 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3k8d n ALA 61 N -2.25 2.45 -0.82 0.00 0.00 -0.47 -4.93 120.51 114.50 3k8d n ALA 61 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3k8d n ALA 61 Cb 0.19 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.31 0.53 3.94 0.00 0.00 -0.05 -5.05 105.19 105.87 3k8d n GLY 62 Ca 0.17 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.47 1.60 0.12 -0.02 0.00 -0.27 -4.98 107.32 101.30 3k8d s GLY 63 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 44.72 43.50 3k8d s GLY 63 CO 0.00 -0.95 0.76 1.85 0.00 0.00 0.00 173.10 174.76 3k8d s GLU 64 N -3.56 4.52 -0.02 2.90 2.12 -1.26 -4.02 118.70 119.39 3k8d s GLU 64 Ca 0.37 1.10 0.07 0.00 0.36 0.00 0.00 54.97 56.87 3k8d s GLU 64 Cb -0.10 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 3k8d s GLU 64 CO 0.30 0.49 -0.23 0.08 -0.54 0.00 0.00 175.26 175.36 3k8d s VAL 65 N -0.81 1.82 -0.21 3.70 1.01 -1.26 -0.86 120.40 123.79 3k8d s VAL 65 Ca 0.36 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3k8d s VAL 65 Cb -0.22 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.69 3k8d s VAL 65 CO 0.25 0.51 -0.16 0.00 0.00 0.00 0.00 175.10 175.70 3k8d s MET 67 N 1.24 4.15 0.15 0.00 -1.94 -1.26 -2.15 119.30 119.49 3k8d s MET 67 Ca -0.00 1.85 -0.02 0.00 -1.71 0.00 0.00 55.69 55.80 3k8d s MET 67 Cb -0.16 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 3k8d s MET 67 CO -0.10 -0.24 0.11 0.95 -0.01 0.00 0.00 175.02 175.73 3k8d s THR 68 N -1.38 0.08 0.55 2.05 -4.23 0.04 -4.89 115.64 107.86 3k8d s THR 68 Ca 0.55 -1.85 -0.21 0.00 -1.18 0.00 0.00 61.69 59.00 3k8d s THR 68 Cb -0.31 -2.10 -0.05 0.00 1.34 0.00 0.00 72.50 71.38 3k8d s THR 68 CO 0.39 -0.35 1.27 -0.13 -0.54 0.00 0.00 174.62 175.26 3k8d s ARG 69 N -4.06 3.17 0.28 3.99 0.52 -1.26 -4.40 118.95 117.19 3k8d s ARG 69 Ca 0.26 2.02 0.25 0.00 -0.52 0.00 0.00 55.73 57.74 3k8d s ARG 69 Cb 0.07 -2.16 0.92 0.00 0.52 0.00 0.00 34.95 34.29 3k8d s ARG 69 CO 0.04 -1.10 1.76 0.00 0.02 0.00 0.00 175.30 176.01 3k8d h ALA 70 N 1.34 1.00 -0.02 2.13 0.00 -1.95 -3.31 119.26 118.46 3k8d h ALA 70 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3k8d h ALA 70 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3k8d h ALA 70 CO 0.57 0.00 -0.10 -0.40 0.00 0.00 0.00 179.25 179.32 3k8d n ASP 71 N -2.38 1.63 -4.74 0.00 5.68 -1.26 -4.90 116.55 110.59 3k8d n ASP 71 Ca 0.03 -1.42 -0.41 0.00 -0.50 0.00 0.00 54.79 52.49 3k8d n ASP 71 Cb 0.33 0.07 0.01 0.00 -1.14 0.00 0.00 41.12 40.38 3k8d n ASP 71 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3k8d n HIS 72 N 0.12 2.54 0.74 2.11 8.25 -1.25 -4.93 115.22 122.81 3k8d n HIS 72 Ca 0.16 0.48 0.09 0.00 -0.26 0.00 0.00 57.72 58.19 3k8d n HIS 72 Cb 0.40 -2.45 0.04 0.00 1.12 0.00 0.00 29.99 29.10 3k8d n HIS 72 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3k8d n GLN 73 N 0.19 1.55 -3.68 -0.41 1.13 -1.26 -4.98 117.38 109.91 3k8d n GLN 73 Ca 0.04 -1.20 -0.09 0.00 -1.94 0.00 0.00 57.00 53.81 3k8d n GLN 73 Cb 0.39 -1.32 -0.02 0.00 0.11 0.00 0.00 30.24 29.40 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 -1.72 -0.36 0.27 1.08 1.04 -1.26 -5.02 113.70 107.72 3k8d s SER 74 Ca 0.17 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.19 3k8d s SER 74 Cb 0.14 0.65 0.35 0.00 0.10 0.00 0.00 66.02 67.26 3k8d s SER 74 CO 0.32 -1.14 1.92 1.23 0.98 0.00 0.00 173.24 176.55 3k8d h GLY 75 N 2.05 1.39 0.99 7.32 0.00 -1.94 -1.66 103.07 111.22 3k8d h GLY 75 Ca -0.27 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 3k8d h GLY 75 CO 0.32 0.44 0.23 -0.84 0.00 0.00 0.00 176.54 176.69 3k8d h THR 76 N 1.25 1.22 -0.47 4.70 2.02 -1.99 -0.40 112.91 119.24 3k8d h THR 76 Ca 0.37 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.87 3k8d h THR 76 Cb -0.05 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 3k8d h THR 76 CO -0.10 0.27 0.31 -0.33 0.37 0.00 0.00 175.52 176.03 3k8d h GLU 77 N 0.78 0.61 -0.92 6.66 5.08 -1.89 -2.57 114.58 122.34 3k8d h GLU 77 Ca 0.19 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3k8d h GLU 77 Cb 0.20 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3k8d h GLU 77 CO -0.02 0.41 0.61 -0.09 -1.00 0.00 0.00 179.01 178.92 3k8d h ARG 78 N 0.63 1.19 0.00 2.33 2.43 -0.87 -1.75 114.38 118.35 3k8d h ARG 78 Ca 0.18 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3k8d h ARG 78 Cb -0.06 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.22 3k8d h ARG 78 CO -0.04 0.79 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.06 3k8d h LEU 79 N 1.23 0.00 -0.82 3.80 4.07 -0.68 -2.33 115.31 120.58 3k8d h LEU 79 Ca 0.34 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.21 3k8d h LEU 79 Cb -0.12 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 3k8d h LEU 79 CO -0.08 0.07 -0.07 0.00 -1.08 0.00 0.00 178.44 177.28 3k8d h ALA 80 N 1.93 1.01 -0.65 1.53 0.00 -1.09 -0.23 119.26 121.76 3k8d h ALA 80 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3k8d h ALA 80 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3k8d h ALA 80 CO 0.01 0.60 0.22 1.49 0.00 0.00 0.00 179.25 181.57 3k8d h GLU 81 N 0.74 1.00 -0.82 0.00 4.81 -1.45 -2.13 114.58 116.73 3k8d h GLU 81 Ca 0.13 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3k8d h GLU 81 Cb 0.55 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 3k8d h GLU 81 CO 0.03 0.86 0.49 0.28 -0.73 0.00 0.00 179.01 179.95 3k8d h VAL 82 N 0.93 1.23 -0.46 0.32 2.07 -1.27 -1.35 116.25 117.72 3k8d h VAL 82 Ca 0.21 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3k8d h VAL 82 Cb 0.26 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3k8d h VAL 82 CO -0.01 0.24 0.03 0.58 0.02 0.00 0.00 177.57 178.44 3k8d h VAL 83 N 1.13 1.23 -0.09 2.57 2.07 -0.76 -1.09 116.25 121.30 3k8d h VAL 83 Ca 0.30 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 3k8d h VAL 83 Cb -0.04 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3k8d h VAL 83 CO -0.05 0.32 -0.37 -0.33 0.02 0.00 0.00 177.57 177.15 3k8d h GLU 84 N 0.69 0.42 -0.22 1.57 4.39 -1.15 -1.73 114.58 118.56 3k8d h GLU 84 Ca 0.14 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 3k8d h GLU 84 Cb 0.38 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3k8d h GLU 84 CO 0.01 0.95 -0.01 0.87 -1.16 0.00 0.00 179.01 179.68 3k8d h LYS 85 N -0.02 0.33 -0.01 2.33 1.57 -1.05 -1.13 116.57 118.58 3k8d h LYS 85 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3k8d h LYS 85 Cb 1.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3k8d h LYS 85 CO 0.08 0.36 -0.17 0.00 -0.57 0.00 0.00 179.45 179.15 3k8d n ALA 87 N -0.20 -1.69 -1.77 0.00 0.00 -0.43 -4.91 120.51 111.53 3k8d n ALA 87 Ca 0.15 -0.19 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 3k8d n ALA 87 Cb 0.37 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3k8d n ALA 87 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k8d s PHE 88 N -3.74 2.74 0.76 0.00 0.08 -0.93 -5.00 117.98 111.90 3k8d s PHE 88 Ca 0.32 1.40 -0.12 0.00 0.12 0.00 0.00 56.93 58.66 3k8d s PHE 88 Cb -0.18 -3.68 0.05 0.00 -0.57 0.00 0.00 43.02 38.65 3k8d s PHE 88 CO 0.93 -2.19 1.11 -1.54 -0.10 0.00 0.00 175.22 173.42 3k8d s SER 89 N -0.79 4.42 0.42 1.36 1.04 -1.26 -4.93 113.70 113.96 3k8d s SER 89 Ca 0.59 1.94 0.15 0.00 0.48 0.00 0.00 55.95 59.11 3k8d s SER 89 Cb -0.38 -2.54 1.02 0.00 0.10 0.00 0.00 66.02 64.22 3k8d s SER 89 CO 0.48 -2.09 1.92 0.44 0.98 0.00 0.00 173.24 174.97 3k8d h ASP 90 N -0.92 0.42 0.01 7.02 3.32 -1.94 -2.26 116.42 122.08 3k8d h ASP 90 Ca -0.44 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3k8d h ASP 90 Cb 1.24 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3k8d h ASP 90 CO 0.51 0.22 -0.01 -0.90 -1.72 0.00 0.00 179.24 177.34 3k8d n ASP 91 N -4.48 0.97 -4.70 6.45 5.68 -1.26 -0.60 116.55 118.60 3k8d n ASP 91 Ca 0.14 -1.28 -0.42 0.00 -0.50 0.00 0.00 54.79 52.72 3k8d n ASP 91 Cb 0.50 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.45 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 2.84 -0.20 2.12 2.01 -0.85 -4.80 115.64 114.73 3k8d s THR 92 Ca 0.40 0.43 -0.29 0.00 0.31 0.00 0.00 61.69 62.54 3k8d s THR 92 Cb 0.21 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.45 3k8d s THR 92 CO 0.36 0.01 1.05 -0.69 -0.69 0.00 0.00 174.62 174.66 3k8d s VAL 93 N 2.14 4.66 -0.10 3.82 1.01 -1.26 -0.93 120.40 129.74 3k8d s VAL 93 Ca 0.73 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.70 3k8d s VAL 93 Cb -0.42 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 3k8d s VAL 93 CO 0.32 -0.15 -0.10 -0.63 0.00 0.00 0.00 175.10 174.55 3k8d s ILE 94 N 3.03 3.41 -0.25 2.22 -1.09 -0.22 -1.18 121.20 127.11 3k8d s ILE 94 Ca 0.46 -0.56 -0.03 0.00 -2.23 0.00 0.00 60.65 58.28 3k8d s ILE 94 Cb -0.16 -2.41 0.02 0.00 -1.58 0.00 0.00 42.46 38.33 3k8d s ILE 94 CO 0.09 0.56 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.63 3k8d s VAL 95 N -0.23 3.11 -0.52 2.92 1.01 0.37 -1.25 120.40 125.80 3k8d s VAL 95 Ca 0.02 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.81 3k8d s VAL 95 Cb -0.13 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.71 3k8d s VAL 95 CO 0.03 0.20 1.29 0.21 0.00 0.00 0.00 175.10 176.83 3k8d s ASN 96 N 1.37 6.37 -0.43 3.32 3.84 0.89 -1.78 114.94 128.52 3k8d s ASN 96 Ca 0.01 0.37 -0.14 0.00 0.21 0.00 0.00 52.86 53.31 3k8d s ASN 96 Cb -0.16 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.03 3k8d s ASN 96 CO -0.03 -1.50 0.32 -0.69 -2.79 0.00 0.00 177.10 172.41 3k8d s VAL 97 N 5.29 5.12 0.53 -5.21 1.01 -1.09 -1.03 120.40 125.01 3k8d s VAL 97 Ca 0.50 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 3k8d s VAL 97 Cb -0.09 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3k8d s VAL 97 CO 0.28 -0.40 1.33 -1.10 0.00 0.00 0.00 175.10 175.21 3k8d s GLN 98 N 1.64 3.28 0.00 2.72 -0.21 -0.66 -4.22 119.66 122.20 3k8d s GLN 98 Ca 0.04 2.17 0.08 0.00 0.02 0.00 0.00 55.36 57.67 3k8d s GLN 98 Cb -0.21 -2.31 0.38 0.00 1.00 0.00 0.00 33.01 31.87 3k8d s GLN 98 CO 0.08 -1.06 1.21 0.41 -2.12 0.00 0.00 175.29 173.81 3k8d n GLY 99 N 0.67 -0.69 1.50 3.09 0.00 -1.16 -2.20 105.19 106.40 3k8d n GLY 99 Ca 0.09 -0.03 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 -1.41 4.45 -3.04 1.61 5.75 -1.26 -4.63 116.55 118.01 3k8d n ASP 100 Ca 0.03 -2.51 -0.27 0.00 -0.01 0.00 0.00 54.79 52.03 3k8d n ASP 100 Cb 0.08 -0.58 -0.05 0.00 -1.03 0.00 0.00 41.12 39.55 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 3.00 0.14 0.11 -0.58 -0.93 -0.27 120.64 122.92 3k8d n GLU 101 Ca 0.23 -4.76 0.12 0.00 -0.42 0.00 0.00 57.16 52.33 3k8d n GLU 101 Cb 0.87 -2.21 0.51 0.00 -0.57 0.00 0.00 31.44 30.04 3k8d n GLU 101 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3k8d n PRO 102 N -0.01 0.20 -0.15 3.49 -0.04 -1.26 -2.57 135.00 134.66 3k8d n PRO 102 Ca 0.30 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.30 3k8d n PRO 102 Cb 0.41 -1.90 0.17 0.00 -0.04 0.00 0.00 33.50 32.13 3k8d n PRO 102 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3k8d n MET 103 N -2.28 2.19 -2.06 0.54 2.81 -1.26 -4.52 117.12 112.53 3k8d n MET 103 Ca 0.02 -2.00 -0.42 0.00 -1.81 0.00 0.00 57.70 53.49 3k8d n MET 103 Cb 0.22 -1.38 -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 -1.19 3.13 0.38 2.02 2.07 -1.06 -4.78 121.20 121.76 3k8d s ILE 104 Ca 0.29 0.73 -0.27 0.00 -1.41 0.00 0.00 60.65 59.99 3k8d s ILE 104 Cb 0.17 -3.47 -0.10 0.00 0.13 0.00 0.00 42.46 39.19 3k8d s ILE 104 CO 0.23 0.03 1.37 -2.84 -1.91 0.00 0.00 174.94 171.82 3k8d s PRO 105 N 1.68 4.10 0.37 3.50 0.02 -1.26 -4.85 135.00 138.56 3k8d s PRO 105 Ca 0.68 2.31 0.11 0.00 0.02 0.00 0.00 61.00 64.13 3k8d s PRO 105 Cb -0.38 -2.91 0.89 0.00 0.02 0.00 0.00 34.50 32.12 3k8d s PRO 105 CO 0.30 -0.44 1.86 0.00 -0.33 0.00 0.00 177.00 178.40 3k8d h ALA 106 N 2.96 1.93 -0.40 -1.55 0.00 -1.90 -1.53 119.26 118.77 3k8d h ALA 106 Ca -0.50 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3k8d h ALA 106 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3k8d h ALA 106 CO 0.64 -0.19 0.11 1.79 0.00 0.00 0.00 179.25 181.60 3k8d h THR 107 N 0.61 1.17 -0.38 0.00 1.35 -1.91 -1.61 112.91 112.14 3k8d h THR 107 Ca 0.46 -0.59 -0.14 0.00 -0.55 0.00 0.00 66.41 65.58 3k8d h THR 107 Cb 0.86 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 3k8d h THR 107 CO -0.21 0.22 -0.33 0.40 -0.25 0.00 0.00 175.52 175.35 3k8d h ILE 108 N 0.57 1.28 -0.13 6.82 1.08 -1.66 -0.63 117.51 124.84 3k8d h ILE 108 Ca 0.13 -1.49 -0.00 0.00 -0.39 0.00 0.00 64.86 63.12 3k8d h ILE 108 Cb 0.19 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3k8d h ILE 108 CO -0.01 0.50 0.08 0.40 -0.69 0.00 0.00 178.15 178.43 3k8d h ILE 109 N 0.72 1.07 -0.84 -0.67 2.04 -1.12 -1.98 117.51 116.72 3k8d h ILE 109 Ca 0.07 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3k8d h ILE 109 Cb 0.89 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3k8d h ILE 109 CO 0.08 0.06 0.47 0.03 0.00 0.00 0.00 178.15 178.79 3k8d h ARG 110 N 0.14 1.17 -0.87 2.37 3.08 -1.24 -2.89 114.38 116.13 3k8d h ARG 110 Ca 0.05 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3k8d h ARG 110 Cb 0.03 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 3k8d h ARG 110 CO -0.01 0.85 0.44 0.37 -1.07 0.00 0.00 179.97 180.55 3k8d h GLN 111 N 1.17 1.24 -0.49 0.04 4.15 -0.81 -1.31 115.11 119.10 3k8d h GLN 111 Ca 0.30 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 3k8d h GLN 111 Cb 0.02 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 3k8d h GLN 111 CO -0.05 0.94 -0.01 0.28 -1.93 0.00 0.00 178.83 178.06 3k8d h VAL 112 N 1.23 1.26 -0.51 2.39 2.07 -1.19 0.49 116.25 121.99 3k8d h VAL 112 Ca 0.30 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3k8d h VAL 112 Cb 0.09 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3k8d h VAL 112 CO -0.04 0.38 0.33 0.00 0.02 0.00 0.00 177.57 178.26 3k8d h ALA 113 N 0.93 0.64 -0.39 1.67 0.00 -1.31 -0.98 119.26 119.82 3k8d h ALA 113 Ca 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3k8d h ALA 113 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3k8d h ALA 113 CO 0.03 0.08 0.03 0.22 0.00 0.00 0.00 179.25 179.61 3k8d h ASP 114 N 0.68 0.65 -0.63 0.00 -0.00 -1.05 -2.11 116.42 113.96 3k8d h ASP 114 Ca 0.19 -0.28 -0.01 0.00 -0.00 0.00 0.00 57.03 56.93 3k8d h ASP 114 Cb -0.07 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 39.06 3k8d h ASP 114 CO -0.05 0.77 0.37 0.78 -0.00 0.00 0.00 179.24 181.11 3k8d h ASN 115 N 0.50 0.77 -0.23 2.28 -0.26 -0.74 -1.60 115.58 116.31 3k8d h ASN 115 Ca 0.11 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3k8d h ASN 115 Cb 0.42 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3k8d h ASN 115 CO 0.01 0.62 0.15 0.25 -1.06 0.00 0.00 177.43 177.41 3k8d h LEU 116 N 0.86 0.27 -1.00 1.61 7.12 -1.09 -2.84 115.31 120.23 3k8d h LEU 116 Ca 0.23 -0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.17 3k8d h LEU 116 Cb 0.00 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.04 3k8d h LEU 116 CO -0.04 0.20 0.10 0.00 -0.13 0.00 0.00 178.44 178.57 3k8d h ALA 117 N 1.08 1.19 -0.00 1.25 0.00 -1.13 -2.79 119.26 118.86 3k8d h ALA 117 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3k8d h ALA 117 Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3k8d h ALA 117 CO -0.02 0.55 -0.03 1.04 0.00 0.00 0.00 179.25 180.79 3k8d n GLN 118 N -4.26 0.40 -4.44 0.00 6.02 -0.62 -4.85 117.38 109.62 3k8d n GLN 118 Ca 0.04 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 3k8d n GLN 118 Cb 0.24 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.87 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 -2.63 1.43 0.00 -1.09 0.52 -1.05 -5.01 118.95 111.12 3k8d s ARG 119 Ca 0.26 -1.32 0.20 0.00 -0.52 0.00 0.00 55.73 54.35 3k8d s ARG 119 Cb 0.20 -1.90 1.10 0.00 0.52 0.00 0.00 34.95 34.88 3k8d s ARG 119 CO 0.48 0.45 1.63 0.00 0.02 0.00 0.00 175.30 177.88 3k8d n GLN 120 N 1.00 0.42 -2.21 3.54 -0.00 -1.26 -4.84 117.38 114.03 3k8d n GLN 120 Ca -0.18 0.06 -0.36 0.00 -0.00 0.00 0.00 57.00 56.52 3k8d n GLN 120 Cb 0.53 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.27 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 -2.36 3.03 -0.07 -0.39 0.11 -1.26 -4.96 120.40 114.49 3k8d s VAL 121 Ca 0.24 0.71 0.17 0.00 -2.93 0.00 0.00 61.98 60.16 3k8d s VAL 121 Cb 0.14 -3.33 0.10 0.00 -1.53 0.00 0.00 36.38 31.76 3k8d s VAL 121 CO 0.28 -0.07 1.54 1.23 -3.33 0.00 0.00 175.10 174.75 3k8d h GLY 122 N 1.58 0.00 -5.48 6.54 0.00 -1.88 -3.46 103.07 100.36 3k8d h GLY 122 Ca -0.50 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 3k8d h GLY 122 CO 0.58 0.00 -0.35 -0.29 0.00 0.00 0.00 176.54 176.48 3k8d s MET 123 N -3.15 0.36 0.08 4.80 -2.45 -1.26 -4.26 119.30 113.41 3k8d s MET 123 Ca 0.03 0.54 0.06 0.00 -1.25 0.00 0.00 55.69 55.06 3k8d s MET 123 Cb 0.08 0.10 -0.03 0.00 1.25 0.00 0.00 34.83 36.23 3k8d s MET 123 CO 0.72 -0.09 -0.16 0.00 1.05 0.00 0.00 175.02 176.55 3k8d s ALA 124 N 0.59 1.35 0.00 4.11 0.00 -0.30 -1.87 121.76 125.64 3k8d s ALA 124 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3k8d s ALA 124 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3k8d s ALA 124 CO -0.04 0.22 0.00 -2.37 0.00 0.00 0.00 175.76 173.58 3k8d n THR 125 N 1.28 0.00 -3.82 0.00 5.66 -0.01 -0.56 114.28 116.84 3k8d n THR 125 Ca -0.20 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.68 3k8d n THR 125 Cb 0.54 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.24 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 1.21 0.08 1.09 0.20 -1.26 -1.83 118.68 118.17 3k8d s LEU 126 Ca 0.00 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.58 3k8d s LEU 126 Cb 0.00 1.05 -0.04 0.00 -0.43 0.00 0.00 46.19 46.77 3k8d s LEU 126 CO 0.00 -0.52 0.01 0.00 -0.29 0.00 0.00 176.35 175.55 3k8d s ALA 127 N -2.16 0.58 0.01 5.97 0.00 -0.35 -1.74 121.76 124.06 3k8d s ALA 127 Ca -0.08 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.66 3k8d s ALA 127 Cb -0.03 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 3k8d s ALA 127 CO -0.01 -0.41 -0.13 0.54 0.00 0.00 0.00 175.76 175.74 3k8d s VAL 128 N -3.96 1.04 0.30 0.00 0.11 -0.11 -1.23 120.40 116.56 3k8d s VAL 128 Ca 0.12 -0.72 -0.29 0.00 -2.93 0.00 0.00 61.98 58.15 3k8d s VAL 128 Cb 0.08 -0.90 -0.11 0.00 -1.53 0.00 0.00 36.38 33.92 3k8d s VAL 128 CO -0.06 0.17 1.47 -2.84 -3.33 0.00 0.00 175.10 170.50 3k8d s PRO 129 N -0.63 4.21 -0.15 1.54 0.02 -1.26 -0.34 135.00 138.39 3k8d s PRO 129 Ca 0.03 2.41 -0.17 0.00 0.02 0.00 0.00 61.00 63.29 3k8d s PRO 129 Cb -0.06 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 3k8d s PRO 129 CO 0.00 -0.46 0.44 0.42 -0.33 0.00 0.00 177.00 177.07 3k8d s ILE 130 N -0.40 5.20 -0.19 2.83 1.01 -0.29 -4.82 121.20 124.54 3k8d s ILE 130 Ca 0.57 0.84 0.13 0.00 0.00 0.00 0.00 60.65 62.19 3k8d s ILE 130 Cb -0.44 -3.77 0.43 0.00 0.01 0.00 0.00 42.46 38.69 3k8d s ILE 130 CO 0.50 0.30 1.20 1.41 0.00 0.00 0.00 174.94 178.35 3k8d n HIS 131 N 3.98 0.48 -3.79 3.97 8.25 -1.26 -4.63 115.22 122.22 3k8d n HIS 131 Ca -0.08 -1.48 -0.13 0.00 -0.26 0.00 0.00 57.72 55.77 3k8d n HIS 131 Cb 0.51 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.27 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 -3.13 -0.21 0.37 0.41 2.20 -1.26 -5.06 114.94 108.26 3k8d s ASN 132 Ca 0.39 0.29 0.17 0.00 -0.94 0.00 0.00 52.86 52.77 3k8d s ASN 132 Cb 0.38 0.43 0.70 0.00 -2.00 0.00 0.00 41.25 40.76 3k8d s ASN 132 CO -0.07 -0.26 1.76 0.00 -2.94 0.00 0.00 177.10 175.59 3k8d h ALA 133 N 4.87 1.07 0.06 3.54 0.00 -1.94 -3.15 119.26 123.71 3k8d h ALA 133 Ca -0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 3k8d h ALA 133 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3k8d h ALA 133 CO 0.36 0.49 -0.05 1.05 0.00 0.00 0.00 179.25 181.10 3k8d h GLU 134 N 0.00 -0.11 -0.51 0.00 -0.00 -1.94 -2.40 114.58 109.62 3k8d h GLU 134 Ca -0.00 0.01 -0.09 0.00 -0.00 0.00 0.00 59.36 59.28 3k8d h GLU 134 Cb 0.84 0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 29.60 3k8d h GLU 134 CO 0.05 -0.07 -0.03 1.49 -0.00 0.00 0.00 179.01 180.44 3k8d h GLU 135 N -0.12 0.88 -0.30 1.06 4.81 -1.93 -2.19 114.58 116.79 3k8d h GLU 135 Ca -0.00 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3k8d h GLU 135 Cb 0.10 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3k8d h GLU 135 CO -0.00 0.90 0.16 0.00 -0.73 0.00 0.00 179.01 179.33 3k8d h ALA 136 N 1.15 1.72 -0.33 2.92 0.00 -1.47 -2.71 119.26 120.54 3k8d h ALA 136 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k8d h ALA 136 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3k8d h ALA 136 CO 0.03 0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.71 3k8d n PHE 137 N -4.45 0.42 -3.21 0.00 3.01 -0.92 -4.53 117.46 107.77 3k8d n PHE 137 Ca 0.01 -0.25 -0.41 0.00 1.01 0.00 0.00 57.45 57.81 3k8d n PHE 137 Cb 0.10 -0.00 -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 -1.34 6.35 0.18 4.37 3.84 -0.84 -4.95 114.94 122.53 3k8d s ASN 138 Ca 0.33 0.03 0.18 0.00 0.21 0.00 0.00 52.86 53.60 3k8d s ASN 138 Cb 0.19 -2.28 0.81 0.00 -0.55 0.00 0.00 41.25 39.42 3k8d s ASN 138 CO 0.27 -0.50 1.54 -2.65 -2.79 0.00 0.00 177.10 172.97 3k8d n PRO 139 N 5.81 0.11 0.03 0.43 -0.02 -1.26 -0.63 135.00 139.47 3k8d n PRO 139 Ca -0.04 0.45 0.14 0.00 -2.02 0.00 0.00 63.50 62.03 3k8d n PRO 139 Cb 0.49 -1.76 0.55 0.00 -0.02 0.00 0.00 33.50 32.76 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 -1.97 0.22 -4.54 2.55 3.02 -1.26 -4.58 115.26 108.70 3k8d n ASN 140 Ca 0.01 0.50 -0.40 0.00 -0.03 0.00 0.00 54.58 54.66 3k8d n ASN 140 Cb 0.14 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 38.65 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 -3.03 3.51 -0.11 5.41 0.00 0.20 -5.02 121.76 122.72 3k8d s ALA 141 Ca 0.13 -1.31 -0.27 0.00 0.00 0.00 0.00 51.96 50.51 3k8d s ALA 141 Cb 0.17 -2.66 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 3k8d s ALA 141 CO 0.55 -0.92 0.88 0.08 0.00 0.00 0.00 175.76 176.35 3k8d s VAL 142 N 1.76 4.88 0.15 0.00 1.01 -1.26 -4.76 120.40 122.18 3k8d s VAL 142 Ca 0.07 1.78 -0.02 0.00 0.00 0.00 0.00 61.98 63.81 3k8d s VAL 142 Cb -0.17 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 3k8d s VAL 142 CO 0.11 0.08 0.34 -0.54 0.00 0.00 0.00 175.10 175.09 3k8d s LYS 143 N 1.72 3.54 0.02 2.72 3.01 0.20 -0.68 119.74 130.27 3k8d s LYS 143 Ca 0.43 -0.26 0.02 0.00 -1.01 0.00 0.00 55.97 55.14 3k8d s LYS 143 Cb -0.18 -2.89 -0.01 0.00 -1.01 0.00 0.00 37.83 33.74 3k8d s LYS 143 CO 0.17 0.48 -0.06 0.54 0.51 0.00 0.00 175.35 176.99 3k8d s VAL 144 N -1.70 0.44 -0.07 3.17 0.11 -0.99 -0.73 120.40 120.63 3k8d s VAL 144 Ca 0.39 -0.65 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 3k8d s VAL 144 Cb -0.12 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 3k8d s VAL 144 CO 0.27 -0.15 -0.25 -0.69 -3.33 0.00 0.00 175.10 170.95 3k8d s VAL 145 N -0.77 2.05 0.21 2.04 1.01 -0.89 -4.33 120.40 119.71 3k8d s VAL 145 Ca -0.05 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 60.97 3k8d s VAL 145 Cb -0.06 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3k8d s VAL 145 CO 0.00 0.57 -0.01 -0.76 0.00 0.00 0.00 175.10 174.90 3k8d s LEU 146 N -0.01 3.24 0.00 3.92 1.43 -1.26 -0.31 118.68 125.69 3k8d s LEU 146 Ca -0.08 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 3k8d s LEU 146 Cb -0.15 -1.85 0.15 0.00 0.03 0.00 0.00 46.19 44.37 3k8d s LEU 146 CO 0.05 0.05 0.92 -0.90 0.23 0.00 0.00 176.35 176.70 3k8d n ASP 147 N -0.43 0.57 0.26 2.29 5.68 0.20 -4.79 116.55 120.34 3k8d n ASP 147 Ca -0.09 -1.64 0.09 0.00 -0.50 0.00 0.00 54.79 52.66 3k8d n ASP 147 Cb 0.57 -0.66 0.67 0.00 -1.14 0.00 0.00 41.12 40.56 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 -1.21 1.77 -0.01 2.12 0.00 -2.01 -1.52 119.26 118.40 3k8d h ALA 148 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3k8d h ALA 148 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3k8d h ALA 148 CO 0.26 0.07 -0.10 0.39 0.00 0.00 0.00 179.25 179.87 3k8d n GLU 149 N -4.27 1.43 -0.43 0.00 1.02 -1.26 -4.94 120.64 112.18 3k8d n GLU 149 Ca -0.03 -0.89 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 3k8d n GLU 149 Cb 0.14 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 1.25 0.75 3.78 0.62 0.00 -0.57 -4.95 105.19 106.08 3k8d n GLY 150 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.38 3.47 0.11 1.61 2.02 -1.26 -0.89 117.35 120.02 3k8d s TYR 151 Ca 0.00 1.70 -0.31 0.00 -0.37 0.00 0.00 57.07 58.09 3k8d s TYR 151 Cb 0.00 -3.02 -0.08 0.00 -0.40 0.00 0.00 41.96 38.46 3k8d s TYR 151 CO 0.00 -0.21 1.41 0.00 -1.57 0.00 0.00 175.55 175.18 3k8d s ALA 152 N -1.67 3.60 -0.03 3.71 0.00 -0.10 -0.63 121.76 126.64 3k8d s ALA 152 Ca 0.54 1.12 -0.19 0.00 0.00 0.00 0.00 51.96 53.43 3k8d s ALA 152 Cb -0.20 -3.55 -0.32 0.00 0.00 0.00 0.00 23.12 19.05 3k8d s ALA 152 CO 0.25 -0.65 0.88 -0.07 0.00 0.00 0.00 175.76 176.17 3k8d h LEU 153 N 6.93 0.58 -7.00 0.00 3.38 -0.97 -3.44 115.31 114.79 3k8d h LEU 153 Ca -0.42 -0.93 0.02 0.00 0.09 0.00 0.00 57.88 56.64 3k8d h LEU 153 Cb 1.21 -0.19 -0.20 0.00 0.09 0.00 0.00 40.66 41.56 3k8d h LEU 153 CO 0.87 1.53 0.39 -0.47 0.09 0.00 0.00 178.44 180.85 3k8d s TYR 154 N -2.49 -0.49 -0.03 1.13 5.04 -1.20 -5.03 117.35 114.28 3k8d s TYR 154 Ca -0.13 0.78 0.07 0.00 -2.44 0.00 0.00 57.07 55.35 3k8d s TYR 154 Cb 0.02 0.45 -0.02 0.00 0.35 0.00 0.00 41.96 42.76 3k8d s TYR 154 CO 0.86 -0.49 -0.24 -0.06 -1.34 0.00 0.00 175.55 174.28 3k8d s PHE 155 N -1.43 2.38 0.05 4.97 0.08 -1.26 -2.10 117.98 120.67 3k8d s PHE 155 Ca -0.05 -0.41 -0.21 0.00 0.12 0.00 0.00 56.93 56.38 3k8d s PHE 155 Cb -0.00 -1.52 0.05 0.00 -0.57 0.00 0.00 43.02 40.97 3k8d s PHE 155 CO 0.03 -0.02 0.49 0.45 -0.10 0.00 0.00 175.22 176.07 3k8d s SER 156 N -0.61 -0.39 0.06 1.36 0.15 0.09 -4.98 113.70 109.38 3k8d s SER 156 Ca 0.10 0.11 0.26 0.00 0.70 0.00 0.00 55.95 57.12 3k8d s SER 156 Cb -0.10 0.47 0.79 0.00 -1.71 0.00 0.00 66.02 65.47 3k8d s SER 156 CO -0.01 -0.71 1.65 0.54 1.20 0.00 0.00 173.24 175.91 3k8d n ARG 157 N 0.42 0.09 -1.50 5.44 1.74 -1.26 -0.63 116.66 120.97 3k8d n ARG 157 Ca -0.18 0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.64 3k8d n ARG 157 Cb 0.60 -1.58 0.08 0.00 -1.02 0.00 0.00 32.46 30.54 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 -3.05 2.35 -0.97 7.54 0.00 -1.26 -4.20 121.76 122.18 3k8d s ALA 158 Ca 0.11 -0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.82 3k8d s ALA 158 Cb 0.16 -3.16 0.07 0.00 0.00 0.00 0.00 23.12 20.20 3k8d s ALA 158 CO 0.62 -1.60 1.33 0.99 0.00 0.00 0.00 175.76 177.11 3k8d s THR 159 N -3.07 4.15 0.05 0.00 2.01 -1.26 -4.63 115.64 112.88 3k8d s THR 159 Ca 0.60 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.76 3k8d s THR 159 Cb -0.15 -4.96 -0.03 0.00 0.01 0.00 0.00 72.50 67.38 3k8d s THR 159 CO 0.55 -1.80 -0.22 0.27 -0.69 0.00 0.00 174.62 172.73 3k8d s ILE 160 N 4.34 1.79 0.23 1.82 -4.36 -1.26 -3.29 121.20 120.46 3k8d s ILE 160 Ca 0.41 -1.25 -0.30 0.00 -0.26 0.00 0.00 60.65 59.25 3k8d s ILE 160 Cb -0.02 -1.55 -0.09 0.00 1.25 0.00 0.00 42.46 42.05 3k8d s ILE 160 CO -0.08 0.24 1.14 -2.16 0.24 0.00 0.00 174.94 174.32 3k8d s PRO 161 N -1.21 4.58 0.07 0.37 0.04 -1.26 -4.61 135.00 132.97 3k8d s PRO 161 Ca 0.09 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 3k8d s PRO 161 Cb -0.09 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 3k8d s PRO 161 CO 0.02 0.08 1.21 -0.46 0.04 0.00 0.00 177.00 177.88 3k8d s TRP 162 N -0.63 3.43 -0.70 0.56 -0.11 -1.21 -4.98 118.94 115.31 3k8d s TRP 162 Ca 0.48 1.29 -0.19 0.00 1.22 0.00 0.00 56.10 58.91 3k8d s TRP 162 Cb -0.32 -3.43 0.12 0.00 -1.50 0.00 0.00 33.47 28.34 3k8d s TRP 162 CO 0.39 -1.31 0.84 0.34 -4.62 0.00 0.00 176.95 172.59 3k8d s ASP 163 N 1.02 6.35 0.12 5.86 -1.08 -1.26 -4.94 116.67 122.74 3k8d s ASP 163 Ca 0.59 -1.65 -0.21 0.00 -0.52 0.00 0.00 52.55 50.75 3k8d s ASP 163 Cb -0.30 -2.33 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 3k8d s ASP 163 CO 0.29 -1.09 1.70 -0.09 0.52 0.00 0.00 175.17 176.50 3k8d h ARG 164 N 9.00 -0.06 0.01 4.34 2.43 -1.98 -0.38 114.38 127.74 3k8d h ARG 164 Ca -0.15 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.76 3k8d h ARG 164 Cb 1.07 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3k8d h ARG 164 CO 1.07 -0.04 -1.03 -0.44 -1.51 0.00 0.00 179.97 178.02 3k8d h ASP 165 N -0.06 0.89 -0.12 -3.80 3.32 -2.00 -1.98 116.42 112.68 3k8d h ASP 165 Ca 0.08 -0.74 -0.02 0.00 0.02 0.00 0.00 57.03 56.37 3k8d h ASP 165 Cb 0.19 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3k8d h ASP 165 CO -0.19 1.52 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.76 3k8d h ARG 166 N 0.36 0.21 0.00 3.56 2.43 -1.92 -3.23 114.38 115.78 3k8d h ARG 166 Ca -0.13 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 3k8d h ARG 166 Cb 1.69 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.22 3k8d h ARG 166 CO 0.20 0.47 -0.14 0.74 -1.51 0.00 0.00 179.97 179.73 3k8d h PHE 167 N -0.07 0.00 0.00 2.20 0.04 -1.13 -2.32 116.94 115.66 3k8d h PHE 167 Ca 0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3k8d h PHE 167 Cb 0.38 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 3k8d h PHE 167 CO 0.04 0.14 -0.11 0.00 -0.60 0.00 0.00 178.31 177.78 3k8d h ALA 168 N 1.86 1.69 0.13 2.45 0.00 -1.37 -3.07 119.26 120.94 3k8d h ALA 168 Ca -0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 3k8d h ALA 168 Cb 0.83 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.61 3k8d h ALA 168 CO 0.02 0.13 -1.21 0.93 0.00 0.00 0.00 179.25 179.12 3k8d h GLU 169 N 0.00 0.27 -1.04 0.00 4.39 -1.49 -3.50 114.58 113.20 3k8d h GLU 169 Ca -0.00 -0.46 0.36 0.00 0.34 0.00 0.00 59.36 59.60 3k8d h GLU 169 Cb 0.20 0.17 -0.17 0.00 -0.10 0.00 0.00 28.75 28.86 3k8d h GLU 169 CO 0.01 1.22 0.98 0.20 -1.16 0.00 0.00 179.01 180.27 3k8d s GLY 170 N -4.77 -0.36 -0.22 -3.84 0.00 -1.07 -5.02 107.32 92.04 3k8d s GLY 170 Ca -0.17 1.41 0.15 0.00 0.00 0.00 0.00 44.72 46.10 3k8d s GLY 170 CO 0.79 0.40 1.68 1.04 0.00 0.00 0.00 173.10 177.00 3k8d n LEU 171 N -0.27 5.30 -0.02 0.66 4.32 -1.26 -4.09 117.00 121.64 3k8d n LEU 171 Ca -0.03 -2.94 -0.10 0.00 -0.02 0.00 0.00 56.01 52.92 3k8d n LEU 171 Cb 0.60 -0.65 0.05 0.00 -1.62 0.00 0.00 43.42 41.80 3k8d n LEU 171 CO 0.10 0.65 0.51 -0.33 -1.22 0.00 0.00 177.39 177.09 3k8d h GLU 172 N 3.50 0.64 -5.17 3.23 4.39 -1.95 -3.47 114.58 115.75 3k8d h GLU 172 Ca 0.00 -0.38 -0.36 0.00 0.34 0.00 0.00 59.36 58.96 3k8d h GLU 172 Cb 1.85 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 30.39 3k8d h GLU 172 CO 0.43 0.99 -0.70 0.95 -1.16 0.00 0.00 179.01 179.51 3k8d s THR 173 N -4.12 1.25 0.07 1.13 -4.23 -1.26 -4.77 115.64 103.72 3k8d s THR 173 Ca -0.08 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.38 3k8d s THR 173 Cb 0.11 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 3k8d s THR 173 CO 0.85 -0.61 -0.10 0.68 -0.54 0.00 0.00 174.62 174.90 3k8d s VAL 174 N -3.28 0.82 0.00 2.29 -7.23 -1.26 -4.95 120.40 106.79 3k8d s VAL 174 Ca 0.21 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3k8d s VAL 174 Cb 0.03 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.94 3k8d s VAL 174 CO 0.04 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 3k8d n GLY 175 N 1.04 -0.46 1.94 2.32 0.00 -1.26 -4.98 105.19 103.80 3k8d n GLY 175 Ca -0.20 -1.62 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 3k8d n GLY 175 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k8d n ASP 176 N 0.00 4.61 -0.66 1.61 -0.08 -1.26 -4.61 116.55 116.16 3k8d n ASP 176 Ca 0.00 -3.28 0.06 0.00 -1.51 0.00 0.00 54.79 50.06 3k8d n ASP 176 Cb 0.00 -0.74 0.15 0.00 2.34 0.00 0.00 41.12 42.86 3k8d n ASP 176 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3k8d n ASN 177 N -0.31 2.84 -4.83 1.67 6.94 -1.26 -4.99 115.26 115.32 3k8d n ASN 177 Ca 0.42 -1.91 -0.37 0.00 -0.02 0.00 0.00 54.58 52.69 3k8d n ASN 177 Cb 1.38 -0.21 -0.06 0.00 -2.36 0.00 0.00 39.78 38.53 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 -1.00 3.62 -0.08 -2.53 0.40 -1.26 -4.61 117.98 112.52 3k8d s PHE 178 Ca 0.23 0.72 0.02 0.00 -0.60 0.00 0.00 56.93 57.31 3k8d s PHE 178 Cb 0.13 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.51 3k8d s PHE 178 CO 0.17 0.60 -0.13 -0.51 0.70 0.00 0.00 175.22 176.05 3k8d s LEU 179 N -0.74 1.63 -0.21 -0.37 1.43 -1.26 -1.14 118.68 118.02 3k8d s LEU 179 Ca 0.19 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 3k8d s LEU 179 Cb -0.14 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 3k8d s LEU 179 CO 0.08 0.02 0.36 -0.60 0.23 0.00 0.00 176.35 176.44 3k8d s ARG 180 N 0.78 4.15 0.05 1.70 3.52 0.54 -2.34 118.95 127.35 3k8d s ARG 180 Ca -0.12 0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.29 3k8d s ARG 180 Cb -0.16 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.65 3k8d s ARG 180 CO 0.02 -0.03 1.11 -1.58 -0.81 0.00 0.00 175.30 174.01 3k8d s HIS 181 N 1.29 3.54 0.24 5.12 5.65 0.14 -0.93 115.29 130.35 3k8d s HIS 181 Ca 0.17 1.48 -0.15 0.00 0.25 0.00 0.00 55.06 56.81 3k8d s HIS 181 Cb -0.15 -3.29 -0.08 0.00 -1.18 0.00 0.00 32.58 27.88 3k8d s HIS 181 CO 0.07 -0.73 0.65 -0.51 -0.65 0.00 0.00 174.74 173.58 3k8d s LEU 182 N 0.92 4.21 -1.49 8.88 1.02 -0.71 -4.69 118.68 126.81 3k8d s LEU 182 Ca 0.55 1.19 -0.11 0.00 0.02 0.00 0.00 54.13 55.79 3k8d s LEU 182 Cb -0.26 -3.71 -0.06 0.00 0.02 0.00 0.00 46.19 42.17 3k8d s LEU 182 CO 0.29 -0.06 2.70 0.61 0.02 0.00 0.00 176.35 179.92 3k8d n GLY 183 N 0.18 4.10 2.93 -3.19 0.00 -1.26 -4.67 105.19 103.27 3k8d n GLY 183 Ca -0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 2.59 -0.03 0.00 -0.61 2.07 -1.26 -1.66 121.20 122.30 3k8d s ILE 184 Ca 0.62 0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.99 3k8d s ILE 184 Cb 0.16 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.57 3k8d s ILE 184 CO -0.06 0.04 -0.10 -0.31 -1.91 0.00 0.00 174.94 172.60 3k8d s TYR 185 N 0.59 0.93 -0.16 3.50 1.51 -0.20 -4.40 117.35 119.12 3k8d s TYR 185 Ca -0.04 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 3k8d s TYR 185 Cb -0.06 -0.59 -0.02 0.00 -0.11 0.00 0.00 41.96 41.18 3k8d s TYR 185 CO -0.02 -0.01 -0.07 0.20 -1.11 0.00 0.00 175.55 174.54 3k8d s GLY 186 N -0.43 1.65 -0.08 0.71 0.00 0.28 -0.08 107.32 109.37 3k8d s GLY 186 Ca 0.03 -0.89 -0.27 0.00 0.00 0.00 0.00 44.72 43.59 3k8d s GLY 186 CO -0.00 -0.04 0.61 -2.52 0.00 0.00 0.00 173.10 171.15 3k8d s TYR 187 N 0.50 -0.59 0.62 1.90 -0.85 -0.38 -1.15 117.35 117.40 3k8d s TYR 187 Ca -0.05 1.09 -0.14 0.00 -0.52 0.00 0.00 57.07 57.45 3k8d s TYR 187 Cb -0.15 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.50 3k8d s TYR 187 CO 0.03 -0.53 1.05 1.03 -1.52 0.00 0.00 175.55 175.62 3k8d s ARG 188 N -0.94 3.25 0.43 -3.49 0.52 -1.26 -1.05 118.95 116.41 3k8d s ARG 188 Ca -0.09 1.10 0.13 0.00 -0.52 0.00 0.00 55.73 56.34 3k8d s ARG 188 Cb -0.02 -2.03 1.00 0.00 0.52 0.00 0.00 34.95 34.43 3k8d s ARG 188 CO 0.07 -0.86 1.99 0.00 0.02 0.00 0.00 175.30 176.53 3k8d h ALA 189 N 0.10 1.96 -0.40 2.13 0.00 -0.83 -0.02 119.26 122.19 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 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3k8d h ALA 189 CO 0.58 -0.08 0.13 0.78 0.00 0.00 0.00 179.25 180.66 3k8d h GLY 190 N 0.43 0.62 1.17 0.00 0.00 -1.10 -0.80 103.07 103.39 3k8d h GLY 190 Ca 0.26 -0.31 -0.20 0.00 0.00 0.00 0.00 47.33 47.07 3k8d h GLY 190 CO -0.07 0.30 -0.64 -2.75 0.00 0.00 0.00 176.54 173.37 3k8d h PHE 191 N 0.58 1.10 -0.98 5.60 3.57 -1.27 -1.89 116.94 123.66 3k8d h PHE 191 Ca 0.14 -0.43 0.04 0.00 3.53 0.00 0.00 57.97 61.25 3k8d h PHE 191 Cb 0.17 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 3k8d h PHE 191 CO 0.01 1.27 0.64 0.82 -2.23 0.00 0.00 178.31 178.82 3k8d h ILE 192 N 0.62 1.16 -0.65 1.41 2.04 -0.89 0.17 117.51 121.38 3k8d h ILE 192 Ca -0.01 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 3k8d h ILE 192 Cb 1.26 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3k8d h ILE 192 CO 0.14 0.22 0.23 0.03 0.00 0.00 0.00 178.15 178.77 3k8d h ARG 193 N 1.23 0.99 -0.72 2.37 3.08 -1.05 -2.57 114.38 117.70 3k8d h ARG 193 Ca 0.39 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 3k8d h ARG 193 Cb 0.02 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3k8d h ARG 193 CO -0.12 0.85 0.33 -0.09 -1.07 0.00 0.00 179.97 179.86 3k8d h ARG 194 N 0.92 1.05 -0.55 0.04 2.43 -0.44 -2.59 114.38 115.24 3k8d h ARG 194 Ca 0.21 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3k8d h ARG 194 Cb 0.25 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 3k8d h ARG 194 CO -0.01 0.84 0.29 -0.92 -1.51 0.00 0.00 179.97 178.66 3k8d h TYR 195 N 1.02 0.53 -0.00 2.20 5.03 -0.31 -2.05 116.97 123.38 3k8d h TYR 195 Ca 0.25 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.58 3k8d h TYR 195 Cb 0.15 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.28 3k8d h TYR 195 CO 0.01 0.26 -0.08 1.33 -1.32 0.00 0.00 178.16 178.36 3k8d n VAL 196 N -4.85 0.00 0.60 1.81 0.24 -1.04 -2.65 118.33 112.44 3k8d n VAL 196 Ca 0.05 -0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.47 3k8d n VAL 196 Cb 0.14 -0.33 0.43 0.00 -1.47 0.00 0.00 33.84 32.60 3k8d n VAL 196 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3k8d n ASN 197 N -1.32 0.77 -4.75 -1.34 3.02 -0.78 -4.77 115.26 106.09 3k8d n ASN 197 Ca 0.11 0.59 -0.40 0.00 -0.03 0.00 0.00 54.58 54.85 3k8d n ASN 197 Cb 0.29 -0.79 -0.05 0.00 -0.61 0.00 0.00 39.78 38.62 3k8d n ASN 197 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3k8d s TRP 198 N -3.13 3.80 0.53 3.10 0.51 -1.08 -5.05 118.94 117.62 3k8d s TRP 198 Ca 0.10 1.56 -0.22 0.00 -2.12 0.00 0.00 56.10 55.42 3k8d s TRP 198 Cb 0.12 -2.83 -0.05 0.00 -0.81 0.00 0.00 33.47 29.90 3k8d s TRP 198 CO 0.56 0.35 1.38 1.04 -0.51 0.00 0.00 176.95 179.77 3k8d n GLN 199 N 2.41 1.80 -1.74 4.98 1.13 -1.26 -4.93 117.38 119.78 3k8d n GLN 199 Ca -0.03 0.66 -0.41 0.00 -1.94 0.00 0.00 57.00 55.28 3k8d n GLN 199 Cb 0.50 -2.60 0.01 0.00 0.11 0.00 0.00 30.24 28.25 3k8d n GLN 199 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3k8d n PRO 200 N -0.89 2.23 -2.95 -1.09 -0.02 -1.26 -4.99 135.00 126.04 3k8d n PRO 200 Ca 0.09 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 62.04 3k8d n PRO 200 Cb 0.44 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 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 -0.39 6.71 0.27 2.55 1.04 -1.26 -4.97 113.70 117.65 3k8d s SER 201 Ca 0.58 1.32 -0.02 0.00 0.48 0.00 0.00 55.95 58.31 3k8d s SER 201 Cb -0.49 -2.39 0.36 0.00 0.10 0.00 0.00 66.02 63.59 3k8d s SER 201 CO 0.60 -0.31 1.80 -0.65 0.98 0.00 0.00 173.24 175.65 3k8d h PRO 202 N 1.81 0.84 -0.55 4.02 0.11 -1.99 -3.20 132.00 133.05 3k8d h PRO 202 Ca -0.48 -0.19 0.01 0.00 0.11 0.00 0.00 66.00 65.45 3k8d h PRO 202 Cb 1.18 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3k8d h PRO 202 CO 0.64 0.78 0.36 1.25 -0.21 0.00 0.00 178.00 180.83 3k8d h LEU 203 N 0.81 0.63 -1.79 2.35 5.85 -1.94 -2.33 115.31 118.89 3k8d h LEU 203 Ca 0.17 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3k8d h LEU 203 Cb 0.35 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3k8d h LEU 203 CO 0.01 0.46 -0.07 1.05 -0.34 0.00 0.00 178.44 179.54 3k8d h GLU 204 N 0.74 0.04 0.01 1.25 4.11 -1.79 -2.45 114.58 116.50 3k8d h GLU 204 Ca 0.20 -0.01 -0.20 0.00 0.07 0.00 0.00 59.36 59.42 3k8d h GLU 204 Cb -0.09 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3k8d h GLU 204 CO -0.04 0.12 -0.96 0.45 0.07 0.00 0.00 179.01 178.64 3k8d h HIS 205 N 0.04 0.03 0.06 2.06 3.86 -1.52 0.49 115.15 120.18 3k8d h HIS 205 Ca 0.01 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3k8d h HIS 205 Cb 0.16 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3k8d h HIS 205 CO 0.00 0.97 -0.03 0.82 0.86 0.00 0.00 177.93 180.55 3k8d h ILE 206 N 0.01 1.25 0.00 2.45 2.04 -1.16 -3.24 117.51 118.86 3k8d h ILE 206 Ca -0.02 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3k8d h ILE 206 Cb 1.69 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 3k8d h ILE 206 CO 0.13 0.30 0.00 -0.33 0.00 0.00 0.00 178.15 178.25 3k8d h GLU 207 N -0.65 0.00 -5.85 2.37 4.39 -1.59 -3.47 114.58 109.78 3k8d h GLU 207 Ca -0.01 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.32 3k8d h GLU 207 Cb 0.55 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 29.32 3k8d h GLU 207 CO 0.01 0.00 -0.81 -1.33 -1.16 0.00 0.00 179.01 175.73 3k8d n MET 208 N -2.84 -5.52 -3.78 2.33 2.81 0.12 -4.89 117.12 105.34 3k8d n MET 208 Ca 0.04 0.74 -0.29 0.00 -1.81 0.00 0.00 57.70 56.39 3k8d n MET 208 Cb 0.50 -5.52 -0.16 0.00 -0.71 0.00 0.00 33.22 27.33 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 -6.46 1.66 0.45 4.03 1.43 -0.95 -5.03 118.68 113.82 3k8d s LEU 209 Ca 0.03 -1.02 0.20 0.00 -1.03 0.00 0.00 54.13 52.31 3k8d s LEU 209 Cb -0.01 -0.77 1.06 0.00 0.03 0.00 0.00 46.19 46.50 3k8d s LEU 209 CO 0.77 -0.30 1.94 1.05 0.23 0.00 0.00 176.35 180.03 3k8d h GLU 210 N 8.15 0.00 0.00 1.70 4.11 -1.95 -2.52 114.58 124.07 3k8d h GLU 210 Ca -0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.26 3k8d h GLU 210 Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 3k8d h GLU 210 CO 0.37 0.24 -0.02 -0.56 0.07 0.00 0.00 179.01 179.11 3k8d h GLN 211 N 0.00 0.00 0.00 1.06 -0.00 -1.96 -2.68 115.11 111.53 3k8d h GLN 211 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3k8d h GLN 211 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.00 3k8d h GLN 211 CO 0.03 0.02 -0.01 -0.07 -0.00 0.00 0.00 178.83 178.80 3k8d h LEU 212 N 0.00 0.00 -1.10 0.06 3.38 -1.84 -2.10 115.31 113.71 3k8d h LEU 212 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 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 0.01 0.61 -0.09 0.09 0.00 0.00 178.44 179.06 3k8d h ARG 213 N 0.00 1.06 -0.25 1.13 2.43 -1.68 -0.27 114.38 116.81 3k8d h ARG 213 Ca -0.00 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3k8d h ARG 213 Cb 0.40 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3k8d h ARG 213 CO 0.00 0.70 0.02 0.28 -1.51 0.00 0.00 179.97 179.46 3k8d h VAL 214 N 1.10 1.25 -0.39 0.20 2.07 -1.59 -2.25 116.25 116.64 3k8d h VAL 214 Ca 0.40 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 3k8d h VAL 214 Cb 0.17 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3k8d h VAL 214 CO -0.15 0.27 -0.18 -0.07 0.02 0.00 0.00 177.57 177.45 3k8d h LEU 215 N 0.21 0.74 -0.88 2.57 3.38 -1.58 -1.79 115.31 117.96 3k8d h LEU 215 Ca 0.07 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3k8d h LEU 215 Cb 0.38 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3k8d h LEU 215 CO 0.01 0.92 0.56 -0.25 0.09 0.00 0.00 178.44 179.77 3k8d h TRP 216 N 0.65 1.03 -0.32 1.13 2.91 -0.87 -1.53 115.95 118.96 3k8d h TRP 216 Ca 0.10 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3k8d h TRP 216 Cb 0.67 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.98 3k8d h TRP 216 CO 0.03 0.54 0.00 0.66 -1.03 0.00 0.00 178.44 178.65 3k8d n TYR 217 N -4.58 0.63 -0.89 2.65 4.01 -0.86 -4.91 117.16 113.21 3k8d n TYR 217 Ca 0.12 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3k8d n TYR 217 Cb 0.16 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 0.80 0.46 3.77 2.72 0.00 -0.58 -5.04 105.19 107.33 3k8d n GLY 218 Ca 0.12 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.56 2.78 0.17 1.61 2.02 -0.70 -5.02 118.70 118.01 3k8d s GLU 219 Ca 0.00 -1.03 -0.10 0.00 0.02 0.00 0.00 54.97 53.86 3k8d s GLU 219 Cb 0.00 -2.53 -0.07 0.00 0.10 0.00 0.00 34.13 31.64 3k8d s GLU 219 CO 0.00 0.44 0.50 0.15 0.02 0.00 0.00 175.26 176.37 3k8d s LYS 220 N -3.43 3.82 -0.14 1.61 1.02 -1.26 -3.97 119.74 117.39 3k8d s LYS 220 Ca 0.31 0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.58 3k8d s LYS 220 Cb -0.09 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 3k8d s LYS 220 CO 0.23 0.42 -0.17 0.42 -0.92 0.00 0.00 175.35 175.33 3k8d s ILE 221 N -1.64 1.69 0.06 2.17 1.01 -1.26 -4.20 121.20 119.04 3k8d s ILE 221 Ca 0.42 -0.73 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 3k8d s ILE 221 Cb -0.13 -1.55 -0.06 0.00 0.01 0.00 0.00 42.46 40.73 3k8d s ILE 221 CO 0.21 0.48 0.64 -2.28 0.00 0.00 0.00 174.94 173.98 3k8d s HIS 222 N 1.21 3.78 -0.26 3.97 5.65 -0.78 -0.93 115.29 127.93 3k8d s HIS 222 Ca -0.00 1.34 0.02 0.00 0.25 0.00 0.00 55.06 56.67 3k8d s HIS 222 Cb -0.14 -2.61 0.06 0.00 -1.18 0.00 0.00 32.58 28.71 3k8d s HIS 222 CO -0.07 0.47 -0.08 0.08 -0.65 0.00 0.00 174.74 174.50 3k8d s VAL 223 N -0.72 1.91 0.39 0.89 1.01 -0.07 -0.83 120.40 122.97 3k8d s VAL 223 Ca 0.32 -1.51 -0.23 0.00 0.00 0.00 0.00 61.98 60.55 3k8d s VAL 223 Cb -0.20 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.97 3k8d s VAL 223 CO 0.20 -0.10 0.96 0.00 0.00 0.00 0.00 175.10 176.16 3k8d s ALA 224 N 1.21 3.11 -0.21 5.51 0.00 -0.76 -4.79 121.76 125.83 3k8d s ALA 224 Ca -0.06 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 3k8d s ALA 224 Cb -0.19 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 3k8d s ALA 224 CO -0.06 0.11 -0.00 0.08 0.00 0.00 0.00 175.76 175.88 3k8d s VAL 225 N -1.90 3.88 -0.19 0.00 1.01 -1.26 -1.21 120.40 120.73 3k8d s VAL 225 Ca 0.57 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 3k8d s VAL 225 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3k8d s VAL 225 CO 0.19 0.42 0.09 0.00 0.00 0.00 0.00 175.10 175.80 3k8d s ALA 226 N 1.10 3.53 0.27 5.51 0.00 -0.36 -4.97 121.76 126.84 3k8d s ALA 226 Ca 0.02 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.30 3k8d s ALA 226 Cb -0.14 -2.02 0.38 0.00 0.00 0.00 0.00 23.12 21.33 3k8d s ALA 226 CO 0.01 0.17 1.67 1.96 0.00 0.00 0.00 175.76 179.58 3k8d h GLN 227 N 6.67 0.37 -3.82 0.00 1.08 -1.99 -3.36 115.11 114.07 3k8d h GLN 227 Ca -0.39 -0.17 -0.47 0.00 -1.45 0.00 0.00 58.65 56.16 3k8d h GLN 227 Cb 1.16 -0.00 -0.38 0.00 -0.05 0.00 0.00 27.48 28.20 3k8d h GLN 227 CO 0.73 0.70 -0.78 -1.21 -0.95 0.00 0.00 178.83 177.33 3k8d s GLU 228 N -4.22 0.86 -0.04 1.46 0.41 -1.26 -4.57 118.70 111.34 3k8d s GLU 228 Ca -0.06 -0.08 -0.01 0.00 -0.41 0.00 0.00 54.97 54.41 3k8d s GLU 228 Cb 0.13 -1.33 0.03 0.00 -1.78 0.00 0.00 34.13 31.18 3k8d s GLU 228 CO 0.79 -0.35 0.05 0.08 -0.49 0.00 0.00 175.26 175.33 3k8d s VAL 229 N 1.88 -0.06 0.63 2.63 1.01 -1.26 -5.12 120.40 120.11 3k8d s VAL 229 Ca 0.04 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 3k8d s VAL 229 Cb -0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3k8d s VAL 229 CO -0.06 0.16 1.03 -2.16 0.00 0.00 0.00 175.10 174.07 3k8d s PRO 230 N 1.79 3.43 1.73 2.72 0.04 -1.26 -4.94 135.00 138.51 3k8d s PRO 230 Ca 0.00 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.70 3k8d s PRO 230 Cb -0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3k8d s PRO 230 CO -0.03 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.76 3k8d n GLY 231 N -2.78 -1.61 3.61 0.56 0.00 -1.26 -4.75 105.19 98.96 3k8d n GLY 231 Ca 0.06 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 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 0.01 0.41 2.61 -1.32 -1.26 -5.11 115.64 110.98 3k8d s THR 232 Ca 0.00 -0.81 -0.24 0.00 -1.21 0.00 0.00 61.69 59.43 3k8d s THR 232 Cb 0.00 -1.69 -0.09 0.00 -1.51 0.00 0.00 72.50 69.21 3k8d s THR 232 CO 0.00 -0.06 1.09 -0.83 -2.21 0.00 0.00 174.62 172.61 3k8d s GLY 233 N -2.89 2.76 -0.62 6.08 0.00 -1.26 -4.72 107.32 106.67 3k8d s GLY 233 Ca 0.10 0.78 -0.14 0.00 0.00 0.00 0.00 44.72 45.46 3k8d s GLY 233 CO -0.00 1.22 0.55 0.14 0.00 0.00 0.00 173.10 175.01 3k8d s VAL 234 N -1.61 5.09 -0.00 1.40 1.01 0.63 -4.79 120.40 122.13 3k8d s VAL 234 Ca 0.59 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.66 3k8d s VAL 234 Cb -0.24 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 31.89 3k8d s VAL 234 CO 0.30 -0.90 0.00 0.47 0.00 0.00 0.00 175.10 174.97 3k8d n ASP 235 N 4.72 4.95 -4.37 3.32 10.43 -1.26 -4.79 116.55 129.54 3k8d n ASP 235 Ca -0.04 0.00 -0.19 0.00 2.57 0.00 0.00 54.79 57.14 3k8d n ASP 235 Cb 0.42 0.95 -0.10 0.00 1.84 0.00 0.00 41.12 44.23 3k8d n ASP 235 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3k8d s THR 236 N -2.01 1.23 0.39 -3.53 -4.23 -1.26 -3.82 115.64 102.40 3k8d s THR 236 Ca -0.00 -2.06 0.07 0.00 -1.18 0.00 0.00 61.69 58.52 3k8d s THR 236 Cb 0.00 -2.42 0.29 0.00 1.34 0.00 0.00 72.50 71.71 3k8d s THR 236 CO 0.01 -0.29 2.00 -0.65 -0.54 0.00 0.00 174.62 175.15 3k8d h PRO 237 N 2.38 0.64 -0.50 3.99 0.11 -1.99 -1.50 132.00 135.14 3k8d h PRO 237 Ca -0.39 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3k8d h PRO 237 Cb 1.23 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3k8d h PRO 237 CO 0.66 0.42 0.18 0.93 -0.21 0.00 0.00 178.00 179.98 3k8d h GLU 238 N 0.66 0.76 -0.91 1.05 3.07 -1.97 -1.30 114.58 115.93 3k8d h GLU 238 Ca 0.25 -0.15 0.04 0.00 -0.50 0.00 0.00 59.36 59.00 3k8d h GLU 238 Cb 0.18 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 27.91 3k8d h GLU 238 CO -0.07 0.69 0.59 -0.44 -1.40 0.00 0.00 179.01 178.38 3k8d h ASP 239 N 0.67 0.97 -0.56 1.42 3.32 -1.78 -2.05 116.42 118.41 3k8d h ASP 239 Ca 0.16 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3k8d h ASP 239 Cb 0.23 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3k8d h ASP 239 CO -0.01 0.66 0.14 0.25 -1.72 0.00 0.00 179.24 178.56 3k8d h LEU 240 N 1.13 0.84 -1.01 1.55 5.85 -0.71 -0.55 115.31 122.41 3k8d h LEU 240 Ca 0.37 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3k8d h LEU 240 Cb 0.03 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3k8d h LEU 240 CO -0.13 0.85 0.45 -0.33 -0.34 0.00 0.00 178.44 178.94 3k8d h GLU 241 N 0.79 1.15 -0.10 1.25 4.39 -1.02 -1.09 114.58 119.94 3k8d h GLU 241 Ca 0.18 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 3k8d h GLU 241 Cb 0.33 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3k8d h GLU 241 CO 0.00 0.84 -0.04 -0.09 -1.16 0.00 0.00 179.01 178.56 3k8d h ARG 242 N 1.15 0.20 -0.42 2.33 2.43 -0.80 -1.46 114.38 117.82 3k8d h ARG 242 Ca 0.29 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3k8d h ARG 242 Cb 0.02 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3k8d h ARG 242 CO -0.05 0.54 0.00 0.28 -1.51 0.00 0.00 179.97 179.23 3k8d h VAL 243 N -0.14 1.22 -0.90 0.20 2.07 -1.05 -1.16 116.25 116.49 3k8d h VAL 243 Ca 0.02 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3k8d h VAL 243 Cb 0.47 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3k8d h VAL 243 CO 0.01 0.32 0.51 0.03 0.02 0.00 0.00 177.57 178.46 3k8d h ARG 244 N 0.64 1.25 -0.05 1.57 3.08 -1.08 0.88 114.38 120.67 3k8d h ARG 244 Ca 0.13 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3k8d h ARG 244 Cb 0.40 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3k8d h ARG 244 CO 0.01 0.90 -0.45 0.00 -1.07 0.00 0.00 179.97 179.37 3k8d h ALA 245 N 1.30 1.17 0.00 0.04 0.00 -0.66 -3.35 119.26 117.75 3k8d h ALA 245 Ca 0.32 -0.42 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3k8d h ALA 245 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3k8d h ALA 245 CO -0.05 0.59 -2.17 0.39 0.00 0.00 0.00 179.25 178.00 3k8d n GLU 246 N -4.00 0.81 0.00 0.00 1.02 -0.49 -5.10 120.64 112.87 3k8d n GLU 246 Ca -0.02 -0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.12 3k8d n GLU 246 Cb 0.49 -1.49 0.38 0.00 -0.02 0.00 0.00 31.44 30.80 3k8d n GLU 246 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19