#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8e s PHE 3 N 0.00 -0.13 -0.04 1.43 -0.12 -1.26 -4.40 117.98 113.46 3k8e s PHE 3 Ca 0.00 -0.20 0.07 0.00 -0.05 0.00 0.00 56.93 56.75 3k8e s PHE 3 Cb 0.00 0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 42.69 3k8e s PHE 3 CO 0.00 -0.82 -0.24 0.08 -0.05 0.00 0.00 175.22 174.18 3k8e s VAL 4 N -3.85 2.16 -0.18 -2.49 1.01 0.11 -1.52 120.40 115.64 3k8e s VAL 4 Ca 0.07 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 3k8e s VAL 4 Cb 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 3k8e s VAL 4 CO -0.06 0.58 -0.04 -0.69 0.00 0.00 0.00 175.10 174.88 3k8e s VAL 5 N -0.43 3.71 -0.15 2.92 1.01 -0.15 -0.19 120.40 127.11 3k8e s VAL 5 Ca 0.04 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 3k8e s VAL 5 Cb -0.12 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 3k8e s VAL 5 CO 0.01 0.47 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 3k8e s ILE 6 N 0.74 2.98 -0.39 2.22 1.01 -0.61 -0.41 121.20 126.74 3k8e s ILE 6 Ca -0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 3k8e s ILE 6 Cb -0.15 -2.27 0.10 0.00 0.01 0.00 0.00 42.46 40.16 3k8e s ILE 6 CO 0.02 0.51 0.18 -0.63 0.00 0.00 0.00 174.94 175.02 3k8e s ILE 7 N 0.63 3.34 -1.17 2.92 1.01 0.83 -2.50 121.20 126.27 3k8e s ILE 7 Ca -0.07 -1.90 -0.21 0.00 0.00 0.00 0.00 60.65 58.47 3k8e s ILE 7 Cb -0.15 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.11 3k8e s ILE 7 CO 0.03 -0.59 1.74 -2.16 0.00 0.00 0.00 174.94 173.95 3k8e s PRO 8 N 1.19 3.41 0.10 2.79 0.04 -1.26 -1.11 135.00 140.15 3k8e s PRO 8 Ca 0.06 -1.42 -0.35 0.00 0.04 0.00 0.00 61.00 59.33 3k8e s PRO 8 Cb -0.22 -5.38 -0.14 0.00 0.04 0.00 0.00 34.50 28.80 3k8e s PRO 8 CO -0.03 -2.76 1.60 0.00 0.04 0.00 0.00 177.00 175.85 3k8e n ALA 9 N 10.46 0.90 -3.41 8.56 0.00 -1.00 -4.39 120.51 131.63 3k8e n ALA 9 Ca 0.43 0.43 -0.36 0.00 0.00 0.00 0.00 53.44 53.94 3k8e n ALA 9 Cb 0.47 -2.33 -0.13 0.00 0.00 0.00 0.00 19.45 17.46 3k8e n ALA 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3k8e s ARG 10 N 1.43 2.83 -0.14 0.00 3.52 -1.26 -4.71 118.95 120.62 3k8e s ARG 10 Ca 0.82 -1.01 -0.15 0.00 -0.13 0.00 0.00 55.73 55.26 3k8e s ARG 10 Cb -0.73 -3.25 -0.13 0.00 -1.56 0.00 0.00 34.95 29.28 3k8e s ARG 10 CO 0.42 -0.50 0.27 -0.92 -0.81 0.00 0.00 175.30 173.76 3k8e h TYR 11 N 8.13 0.00 -3.26 5.12 5.03 -1.97 -3.40 116.97 126.63 3k8e h TYR 11 Ca -0.29 0.00 -0.53 0.00 2.58 0.00 0.00 58.73 60.50 3k8e h TYR 11 Cb 1.10 0.00 0.03 0.00 1.55 0.00 0.00 36.73 39.41 3k8e h TYR 11 CO 0.60 0.62 0.66 0.00 -1.32 0.00 0.00 178.16 178.72 3k8e s ALA 12 N -2.44 3.53 -0.28 1.82 0.00 -1.26 -2.96 121.76 120.18 3k8e s ALA 12 Ca -0.14 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 3k8e s ALA 12 Cb 0.00 -3.49 0.10 0.00 0.00 0.00 0.00 23.12 19.73 3k8e s ALA 12 CO 0.38 -0.55 0.74 0.45 0.00 0.00 0.00 175.76 176.78 3k8e s SER 13 N 0.62 -0.89 0.49 0.00 0.15 -1.26 -4.97 113.70 107.83 3k8e s SER 13 Ca 0.59 1.39 -0.21 0.00 0.70 0.00 0.00 55.95 58.43 3k8e s SER 13 Cb -0.36 1.46 -0.08 0.00 -1.71 0.00 0.00 66.02 65.33 3k8e s SER 13 CO 0.35 -0.22 1.06 -0.89 1.20 0.00 0.00 173.24 174.74 3k8e s THR 14 N 1.74 3.66 0.00 6.45 2.01 -1.26 -2.87 115.64 125.37 3k8e s THR 14 Ca -0.09 1.06 0.00 0.00 0.31 0.00 0.00 61.69 62.97 3k8e s THR 14 Cb -0.06 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 69.01 3k8e s THR 14 CO -0.19 -0.19 0.00 0.54 -0.69 0.00 0.00 174.62 174.09 3k8e n ARG 15 N -0.91 0.00 -3.58 4.92 1.74 -1.26 -4.82 116.66 112.75 3k8e n ARG 15 Ca 0.09 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.90 3k8e n ARG 15 Cb 0.52 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.86 3k8e n ARG 15 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k8e n LEU 16 N 0.00 1.56 -4.64 0.55 4.77 -1.24 -4.63 117.00 113.36 3k8e n LEU 16 Ca 0.00 -4.89 -0.54 0.00 -0.03 0.00 0.00 56.01 50.55 3k8e n LEU 16 Cb 0.00 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 3k8e n LEU 16 CO 0.00 1.87 1.09 -0.81 -1.33 0.00 0.00 177.39 178.21 3k8e n PRO 17 N 2.06 1.16 -2.74 3.23 -0.05 -1.14 -2.42 135.00 135.10 3k8e n PRO 17 Ca 0.25 0.42 -0.08 0.00 -0.05 0.00 0.00 63.50 64.04 3k8e n PRO 17 Cb 0.42 -2.09 0.02 0.00 -0.05 0.00 0.00 33.50 31.81 3k8e n PRO 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3k8e n GLY 18 N 3.25 0.38 0.25 0.55 0.00 -1.22 -4.89 105.19 103.52 3k8e n GLY 18 Ca 0.22 -0.40 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 3k8e n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3k8e h LYS 19 N -0.76 -0.00 0.00 1.61 3.64 -1.36 -1.16 116.57 118.53 3k8e h LYS 19 Ca -0.19 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3k8e h LYS 19 Cb 1.13 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3k8e h LYS 19 CO 0.19 -0.00 -0.10 -1.35 -2.27 0.00 0.00 179.45 175.92 3k8e h PRO 20 N -0.00 0.00 -0.01 1.90 0.11 -1.84 -2.72 132.00 129.43 3k8e h PRO 20 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3k8e h PRO 20 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3k8e h PRO 20 CO -0.68 0.10 -0.19 1.28 -0.21 0.00 0.00 178.00 178.30 3k8e n LEU 21 N -3.96 1.28 -4.71 2.35 4.32 -0.45 -1.26 117.00 114.57 3k8e n LEU 21 Ca -0.02 -0.38 -0.43 0.00 -0.02 0.00 0.00 56.01 55.16 3k8e n LEU 21 Cb 0.19 -0.08 -0.03 0.00 -1.62 0.00 0.00 43.42 41.88 3k8e n LEU 21 CO 0.31 0.23 1.32 0.52 -1.22 0.00 0.00 177.39 178.55 3k8e n VAL 22 N -0.31 0.13 -2.51 4.08 0.31 -1.03 -4.65 118.33 114.35 3k8e n VAL 22 Ca 0.14 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 64.02 3k8e n VAL 22 Cb 0.36 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.38 3k8e n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k8e s ASP 23 N 1.03 7.11 -0.34 4.52 2.15 -1.26 -1.15 116.67 128.74 3k8e s ASP 23 Ca 0.74 1.79 0.03 0.00 0.43 0.00 0.00 52.55 55.55 3k8e s ASP 23 Cb -0.54 -2.56 0.10 0.00 -0.30 0.00 0.00 42.92 39.62 3k8e s ASP 23 CO 0.35 -0.52 0.06 -0.63 -0.17 0.00 0.00 175.17 174.27 3k8e s ILE 24 N 1.90 2.11 -1.41 4.11 1.01 0.56 -4.86 121.20 124.62 3k8e s ILE 24 Ca 0.55 -2.24 -0.00 0.00 0.00 0.00 0.00 60.65 58.95 3k8e s ILE 24 Cb -0.24 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3k8e s ILE 24 CO 0.23 -0.61 0.40 0.59 0.00 0.00 0.00 174.94 175.54 3k8e n ASN 25 N 4.31 -0.24 0.00 3.58 3.02 -1.26 -2.74 115.26 121.93 3k8e n ASN 25 Ca 0.03 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3k8e n ASN 25 Cb 0.42 -2.99 0.00 0.00 -0.61 0.00 0.00 39.78 36.60 3k8e n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k8e n GLY 26 N -2.01 1.05 3.24 7.41 0.00 -1.26 -5.05 105.19 108.57 3k8e n GLY 26 Ca -0.31 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 3k8e n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k8e s LYS 27 N -0.91 1.02 0.43 1.61 1.02 -1.11 -5.12 119.74 116.68 3k8e s LYS 27 Ca 0.00 -1.10 -0.26 0.00 0.02 0.00 0.00 55.97 54.64 3k8e s LYS 27 Cb 0.00 -1.18 -0.09 0.00 -0.52 0.00 0.00 37.83 36.05 3k8e s LYS 27 CO 0.00 0.27 1.42 -2.14 -0.92 0.00 0.00 175.35 173.97 3k8e s PRO 28 N -1.89 3.80 0.27 -1.68 0.02 -1.26 -0.32 135.00 133.95 3k8e s PRO 28 Ca 0.04 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.46 3k8e s PRO 28 Cb -0.10 -2.72 0.63 0.00 0.02 0.00 0.00 34.50 32.32 3k8e s PRO 28 CO 0.04 -0.72 1.70 1.98 -0.33 0.00 0.00 177.00 179.67 3k8e h MET 29 N 2.50 0.39 -0.36 5.54 1.85 -0.88 0.53 114.93 124.48 3k8e h MET 29 Ca -0.51 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 58.56 3k8e h MET 29 Cb 1.26 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 33.18 3k8e h MET 29 CO 0.62 0.25 0.22 0.97 -0.40 0.00 0.00 176.91 178.57 3k8e h ILE 30 N 0.40 1.11 -0.15 1.77 6.09 -1.41 -2.30 117.51 123.01 3k8e h ILE 30 Ca 0.51 -0.24 -0.14 0.00 -1.37 0.00 0.00 64.86 63.61 3k8e h ILE 30 Cb 0.90 0.60 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 3k8e h ILE 30 CO -0.50 0.11 -0.52 0.58 -3.07 0.00 0.00 178.15 174.75 3k8e h VAL 31 N 0.50 1.33 -0.74 2.19 2.07 -1.17 -1.63 116.25 118.81 3k8e h VAL 31 Ca 0.13 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 3k8e h VAL 31 Cb -0.01 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3k8e h VAL 31 CO -0.02 0.54 0.43 0.45 0.02 0.00 0.00 177.57 178.99 3k8e h HIS 32 N 0.33 0.99 -0.55 1.57 3.86 -1.17 -0.70 115.15 119.49 3k8e h HIS 32 Ca 0.01 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 3k8e h HIS 32 Cb 1.02 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 3k8e h HIS 32 CO 0.03 0.68 -0.11 0.28 0.86 0.00 0.00 177.93 179.68 3k8e h VAL 33 N 1.02 1.27 -0.66 2.45 2.07 -1.20 -1.95 116.25 119.24 3k8e h VAL 33 Ca 0.26 -1.27 0.10 0.00 0.82 0.00 0.00 66.70 66.62 3k8e h VAL 33 Cb -0.01 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 3k8e h VAL 33 CO -0.05 0.45 0.28 0.25 0.02 0.00 0.00 177.57 178.52 3k8e h LEU 34 N 0.92 0.31 -0.83 2.57 5.85 -0.95 -1.29 115.31 121.88 3k8e h LEU 34 Ca 0.14 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 3k8e h LEU 34 Cb 0.68 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3k8e h LEU 34 CO 0.05 0.17 0.41 -0.33 -0.34 0.00 0.00 178.44 178.40 3k8e h GLU 35 N 0.48 1.20 -0.49 1.25 5.08 -0.66 -1.41 114.58 120.02 3k8e h GLU 35 Ca 0.34 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3k8e h GLU 35 Cb 0.41 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3k8e h GLU 35 CO -0.31 0.91 0.28 0.00 -1.00 0.00 0.00 179.01 178.89 3k8e h ARG 36 N 1.18 0.67 -0.82 2.33 2.47 -0.85 -2.48 114.38 116.88 3k8e h ARG 36 Ca 0.29 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.91 3k8e h ARG 36 Cb 0.10 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.25 3k8e h ARG 36 CO -0.04 0.51 0.42 0.00 0.56 0.00 0.00 179.97 181.43 3k8e h ALA 37 N 1.12 1.05 -0.29 0.04 0.00 -0.99 -2.64 119.26 117.56 3k8e h ALA 37 Ca 0.17 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3k8e h ALA 37 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3k8e h ALA 37 CO -0.03 0.59 0.14 0.00 0.00 0.00 0.00 179.25 179.95 3k8e h ARG 38 N 1.15 0.29 -0.02 0.00 3.08 -1.11 -1.85 114.38 115.92 3k8e h ARG 38 Ca 0.29 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.33 3k8e h ARG 38 Cb 0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3k8e h ARG 38 CO -0.04 0.19 0.04 0.93 -1.07 0.00 0.00 179.97 180.02 3k8e h GLU 39 N 0.29 0.00 0.00 0.04 5.08 -1.13 -1.76 114.58 117.11 3k8e h GLU 39 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3k8e h GLU 39 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3k8e h GLU 39 CO -0.09 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.79 3k8e n SER 40 N -3.50 0.47 0.00 1.42 3.41 -0.69 -4.88 113.62 109.83 3k8e n SER 40 Ca -0.02 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3k8e n SER 40 Cb 0.12 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 3k8e n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k8e n GLY 41 N 0.03 0.73 3.67 5.00 0.00 -0.66 -4.70 105.19 109.26 3k8e n GLY 41 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3k8e n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8e n ALA 42 N -0.17 0.97 0.12 4.61 0.00 -1.26 -4.86 120.51 119.92 3k8e n ALA 42 Ca 0.00 0.28 0.09 0.00 0.00 0.00 0.00 53.44 53.82 3k8e n ALA 42 Cb 0.00 -2.21 0.02 0.00 0.00 0.00 0.00 19.45 17.26 3k8e n ALA 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3k8e h GLU 43 N 2.06 0.00 -4.14 0.00 4.11 -1.66 -3.45 114.58 111.49 3k8e h GLU 43 Ca -0.46 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 58.69 3k8e h GLU 43 Cb 1.30 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.28 3k8e h GLU 43 CO 0.60 0.08 -0.74 1.03 0.07 0.00 0.00 179.01 180.05 3k8e s ARG 44 N -3.23 0.30 -0.28 1.06 1.81 -1.26 -5.06 118.95 112.29 3k8e s ARG 44 Ca 0.01 -0.22 -0.00 0.00 -1.72 0.00 0.00 55.73 53.79 3k8e s ARG 44 Cb 0.08 -0.24 0.09 0.00 -0.45 0.00 0.00 34.95 34.43 3k8e s ARG 44 CO 0.77 0.06 0.06 0.42 -0.68 0.00 0.00 175.30 175.93 3k8e s ILE 45 N -0.31 1.06 -0.28 1.52 1.09 -1.25 -0.98 121.20 122.04 3k8e s ILE 45 Ca -0.01 -1.32 -0.06 0.00 -1.10 0.00 0.00 60.65 58.16 3k8e s ILE 45 Cb -0.03 -1.68 0.01 0.00 -1.06 0.00 0.00 42.46 39.70 3k8e s ILE 45 CO -0.00 -0.50 0.05 -0.63 -0.10 0.00 0.00 174.94 173.76 3k8e s ILE 46 N 1.55 3.76 -0.16 2.92 1.01 0.46 -3.90 121.20 126.85 3k8e s ILE 46 Ca 0.06 -0.71 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 3k8e s ILE 46 Cb -0.18 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 3k8e s ILE 46 CO -0.18 0.14 0.80 -0.69 0.00 0.00 0.00 174.94 175.01 3k8e s VAL 47 N 1.47 4.91 -0.26 2.92 1.01 -0.87 -0.12 120.40 129.47 3k8e s VAL 47 Ca 0.03 1.58 -0.10 0.00 0.00 0.00 0.00 61.98 63.48 3k8e s VAL 47 Cb -0.17 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 3k8e s VAL 47 CO 0.01 0.06 0.15 0.00 0.00 0.00 0.00 175.10 175.32 3k8e s ALA 48 N 1.95 3.47 0.01 5.51 0.00 -0.26 -1.36 121.76 131.07 3k8e s ALA 48 Ca 0.38 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.11 3k8e s ALA 48 Cb -0.17 -2.32 0.04 0.00 0.00 0.00 0.00 23.12 20.67 3k8e s ALA 48 CO 0.13 -0.40 0.45 -0.08 0.00 0.00 0.00 175.76 175.87 3k8e s THR 49 N 1.46 0.04 -2.40 0.00 -1.32 -1.02 -2.39 115.64 110.03 3k8e s THR 49 Ca 0.07 -0.34 0.23 0.00 -1.21 0.00 0.00 61.69 60.43 3k8e s THR 49 Cb -0.15 -0.88 0.46 0.00 -1.51 0.00 0.00 72.50 70.42 3k8e s THR 49 CO 0.07 -0.19 1.43 -0.90 -2.21 0.00 0.00 174.62 172.82 3k8e n ASP 50 N 0.75 3.57 -4.53 8.08 5.75 -1.26 -2.02 116.55 126.89 3k8e n ASP 50 Ca -0.19 -2.00 -0.35 0.00 -0.01 0.00 0.00 54.79 52.24 3k8e n ASP 50 Cb 0.58 -0.29 -0.11 0.00 -1.03 0.00 0.00 41.12 40.27 3k8e n ASP 50 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3k8e s HIS 51 N -1.41 3.14 0.17 2.11 3.76 -1.26 -4.96 115.29 116.84 3k8e s HIS 51 Ca 0.41 -0.19 -0.14 0.00 -0.15 0.00 0.00 55.06 54.98 3k8e s HIS 51 Cb 0.23 -2.14 0.10 0.00 1.11 0.00 0.00 32.58 31.88 3k8e s HIS 51 CO 0.32 -0.10 1.78 0.93 -0.85 0.00 0.00 174.74 176.82 3k8e h GLU 52 N 7.40 0.43 -0.78 1.40 4.39 -1.99 -2.32 114.58 123.11 3k8e h GLU 52 Ca -0.36 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.34 3k8e h GLU 52 Cb 1.18 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 3k8e h GLU 52 CO 0.63 0.29 0.52 0.38 -1.16 0.00 0.00 179.01 179.67 3k8e h ASP 53 N 0.45 0.85 -0.21 1.42 2.03 -2.00 -1.11 116.42 117.84 3k8e h ASP 53 Ca 0.20 -0.01 -0.12 0.00 -0.73 0.00 0.00 57.03 56.37 3k8e h ASP 53 Cb 0.10 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 38.40 3k8e h ASP 53 CO -0.14 0.59 -0.32 0.58 -1.03 0.00 0.00 179.24 178.92 3k8e h VAL 54 N 0.99 1.33 -0.87 4.15 2.07 -1.95 -2.92 116.25 119.05 3k8e h VAL 54 Ca 0.31 -1.53 0.07 0.00 0.82 0.00 0.00 66.70 66.37 3k8e h VAL 54 Cb 0.01 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 3k8e h VAL 54 CO -0.08 0.47 0.54 0.00 0.02 0.00 0.00 177.57 178.51 3k8e h ALA 55 N 0.62 1.21 -0.15 1.67 0.00 -0.83 -1.90 119.26 119.89 3k8e h ALA 55 Ca 0.02 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3k8e h ALA 55 Cb 0.90 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3k8e h ALA 55 CO 0.07 0.26 -0.63 0.00 0.00 0.00 0.00 179.25 178.95 3k8e h ARG 56 N 0.96 0.53 -0.55 0.00 3.08 -1.24 -1.81 114.38 115.34 3k8e h ARG 56 Ca 0.39 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3k8e h ARG 56 Cb 0.22 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3k8e h ARG 56 CO -0.19 0.99 0.36 0.00 -1.07 0.00 0.00 179.97 180.06 3k8e h ALA 57 N 0.92 0.69 -0.40 0.04 0.00 -1.27 0.13 119.26 119.37 3k8e h ALA 57 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3k8e h ALA 57 Cb 1.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3k8e h ALA 57 CO 0.12 0.11 0.15 0.28 0.00 0.00 0.00 179.25 179.91 3k8e h VAL 58 N 0.72 1.20 -0.61 0.00 2.07 -1.25 -2.86 116.25 115.52 3k8e h VAL 58 Ca 0.20 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 3k8e h VAL 58 Cb -0.06 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3k8e h VAL 58 CO -0.05 0.23 0.14 -0.33 0.02 0.00 0.00 177.57 177.58 3k8e h GLU 59 N 0.50 0.98 -1.00 1.57 5.08 -1.16 0.28 114.58 120.82 3k8e h GLU 59 Ca 0.13 -0.24 0.20 0.00 -1.00 0.00 0.00 59.36 58.45 3k8e h GLU 59 Cb 0.21 -0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.22 3k8e h GLU 59 CO -0.01 0.89 0.61 0.00 -1.00 0.00 0.00 179.01 179.51 3k8e h ALA 60 N 1.04 1.71 0.00 3.43 0.00 -0.67 0.22 119.26 124.99 3k8e h ALA 60 Ca 0.19 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3k8e h ALA 60 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k8e h ALA 60 CO 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.15 3k8e n ALA 61 N -2.33 2.65 -1.21 0.00 0.00 -0.87 -4.90 120.51 113.84 3k8e n ALA 61 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3k8e n ALA 61 Cb 0.60 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3k8e n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8e n GLY 62 N 0.92 0.43 3.86 0.00 0.00 0.76 -5.05 105.19 106.09 3k8e n GLY 62 Ca 0.22 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 3k8e n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k8e s GLY 63 N -2.95 2.34 0.15 -0.02 0.00 0.92 -4.95 107.32 102.81 3k8e s GLY 63 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 3k8e s GLY 63 CO 0.00 0.09 0.94 1.85 0.00 0.00 0.00 173.10 175.98 3k8e s GLU 64 N -2.76 4.74 0.03 2.90 2.12 -1.25 -3.97 118.70 120.51 3k8e s GLU 64 Ca 0.49 1.44 0.08 0.00 0.36 0.00 0.00 54.97 57.34 3k8e s GLU 64 Cb -0.11 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 3k8e s GLU 64 CO 0.19 0.32 -0.23 0.08 -0.54 0.00 0.00 175.26 175.09 3k8e s VAL 65 N -0.41 1.82 -0.15 3.70 1.01 -1.26 -2.05 120.40 123.05 3k8e s VAL 65 Ca 0.44 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3k8e s VAL 65 Cb -0.24 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.61 3k8e s VAL 65 CO 0.30 0.34 -0.15 0.00 0.00 0.00 0.00 175.10 175.59 3k8e s MET 67 N 1.46 4.38 0.37 0.00 1.75 -1.26 -2.42 119.30 123.59 3k8e s MET 67 Ca 0.05 1.16 0.08 0.00 -1.25 0.00 0.00 55.69 55.73 3k8e s MET 67 Cb -0.13 -3.54 -0.04 0.00 2.84 0.00 0.00 34.83 33.96 3k8e s MET 67 CO -0.11 -0.26 0.22 0.95 -0.65 0.00 0.00 175.02 175.17 3k8e s THR 68 N 1.85 2.80 0.44 10.11 -4.23 -0.85 -4.95 115.64 120.82 3k8e s THR 68 Ca 0.43 -1.59 -0.22 0.00 -1.18 0.00 0.00 61.69 59.12 3k8e s THR 68 Cb -0.18 -3.01 -0.08 0.00 1.34 0.00 0.00 72.50 70.57 3k8e s THR 68 CO 0.16 -0.10 1.08 -0.13 -0.54 0.00 0.00 174.62 175.09 3k8e s ARG 69 N -3.93 3.93 -0.02 3.99 0.52 -1.26 -4.35 118.95 117.83 3k8e s ARG 69 Ca 0.41 1.53 -0.21 0.00 -0.52 0.00 0.00 55.73 56.94 3k8e s ARG 69 Cb -0.01 -2.35 -0.14 0.00 0.52 0.00 0.00 34.95 32.97 3k8e s ARG 69 CO 0.24 -0.35 0.93 0.00 0.02 0.00 0.00 175.30 176.14 3k8e h ALA 70 N 2.06 -0.48 0.00 2.13 0.00 -1.99 -3.45 119.26 117.54 3k8e h ALA 70 Ca -0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3k8e h ALA 70 Cb 1.23 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3k8e h ALA 70 CO 0.61 -0.52 0.00 -0.40 0.00 0.00 0.00 179.25 178.94 3k8e n ASP 71 N -5.11 0.00 -2.03 0.00 3.85 -1.26 -4.18 116.55 107.82 3k8e n ASP 71 Ca -0.09 0.00 -0.29 0.00 -0.71 0.00 0.00 54.79 53.71 3k8e n ASP 71 Cb 0.27 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.99 3k8e n ASP 71 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3k8e n HIS 72 N 0.00 0.72 -3.93 2.11 -0.00 -1.26 -4.93 115.22 107.94 3k8e n HIS 72 Ca 0.00 0.49 -0.10 0.00 -0.00 0.00 0.00 57.72 58.11 3k8e n HIS 72 Cb 0.00 -0.95 -0.11 0.00 -0.00 0.00 0.00 29.99 28.92 3k8e n HIS 72 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 3k8e s GLN 73 N 1.21 0.29 0.83 -0.41 -0.21 -1.26 -5.15 119.66 114.95 3k8e s GLN 73 Ca 0.45 -0.41 -0.11 0.00 0.02 0.00 0.00 55.36 55.31 3k8e s GLN 73 Cb -0.64 0.11 0.09 0.00 1.00 0.00 0.00 33.01 33.57 3k8e s GLN 73 CO 0.34 -0.05 1.09 -1.54 -2.12 0.00 0.00 175.29 173.01 3k8e s SER 74 N -1.11 4.06 0.46 5.90 1.04 -1.26 -4.88 113.70 117.91 3k8e s SER 74 Ca -0.12 1.66 0.14 0.00 0.48 0.00 0.00 55.95 58.11 3k8e s SER 74 Cb -0.07 -2.35 1.05 0.00 0.10 0.00 0.00 66.02 64.74 3k8e s SER 74 CO -0.00 -2.29 2.03 1.23 0.98 0.00 0.00 173.24 175.19 3k8e h GLY 75 N -1.31 0.06 1.01 7.32 0.00 -1.98 -1.40 103.07 106.77 3k8e h GLY 75 Ca -0.46 -0.03 -0.22 0.00 0.00 0.00 0.00 47.33 46.62 3k8e h GLY 75 CO 0.53 0.03 -0.87 -0.84 0.00 0.00 0.00 176.54 175.39 3k8e h THR 76 N 0.05 1.35 -0.66 4.70 2.02 -1.98 -0.69 112.91 117.70 3k8e h THR 76 Ca 0.01 -2.21 -0.03 0.00 0.77 0.00 0.00 66.41 64.96 3k8e h THR 76 Cb 0.21 2.54 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 3k8e h THR 76 CO 0.01 0.66 0.31 -0.33 0.37 0.00 0.00 175.52 176.54 3k8e h GLU 77 N 0.14 0.94 -0.37 6.66 5.08 -1.89 -0.42 114.58 124.71 3k8e h GLU 77 Ca -0.11 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 3k8e h GLU 77 Cb 1.55 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 3k8e h GLU 77 CO 0.17 0.73 -0.08 0.00 -1.00 0.00 0.00 179.01 178.83 3k8e h ARG 78 N 0.93 0.63 -0.59 2.33 3.08 -1.19 -1.77 114.38 117.80 3k8e h ARG 78 Ca 0.23 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3k8e h ARG 78 Cb 0.11 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3k8e h ARG 78 CO -0.03 0.71 0.18 -0.07 -1.07 0.00 0.00 179.97 179.69 3k8e h LEU 79 N 0.58 0.86 -0.66 3.04 3.38 -0.75 -2.60 115.31 119.17 3k8e h LEU 79 Ca 0.11 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3k8e h LEU 79 Cb 0.49 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 3k8e h LEU 79 CO 0.03 0.84 0.28 0.00 0.09 0.00 0.00 178.44 179.68 3k8e h ALA 80 N 1.05 0.88 -0.52 1.53 0.00 -0.46 -1.38 119.26 120.36 3k8e h ALA 80 Ca 0.19 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3k8e h ALA 80 Cb 0.29 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3k8e h ALA 80 CO -0.01 -0.14 -0.01 1.49 0.00 0.00 0.00 179.25 180.59 3k8e h GLU 81 N 0.48 0.88 -0.26 0.00 4.81 -1.12 -1.75 114.58 117.63 3k8e h GLU 81 Ca 0.33 -0.26 -0.15 0.00 -0.13 0.00 0.00 59.36 59.16 3k8e h GLU 81 Cb 0.40 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3k8e h GLU 81 CO -0.30 0.89 -0.44 0.28 -0.73 0.00 0.00 179.01 178.71 3k8e h VAL 82 N 0.82 1.30 -0.74 0.32 2.07 -1.09 0.01 116.25 118.94 3k8e h VAL 82 Ca 0.15 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.99 3k8e h VAL 82 Cb 0.50 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 3k8e h VAL 82 CO 0.02 0.52 0.23 0.58 0.02 0.00 0.00 177.57 178.94 3k8e h VAL 83 N 0.53 1.26 0.02 2.57 2.07 -0.88 -0.37 116.25 121.45 3k8e h VAL 83 Ca 0.04 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 3k8e h VAL 83 Cb 0.97 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3k8e h VAL 83 CO 0.09 0.36 -0.01 -0.33 0.02 0.00 0.00 177.57 177.70 3k8e h GLU 84 N 1.10 -0.02 -0.41 1.57 4.39 -1.19 -1.53 114.58 118.48 3k8e h GLU 84 Ca 0.24 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.89 3k8e h GLU 84 Cb 0.31 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3k8e h GLU 84 CO -0.01 0.29 0.07 0.87 -1.16 0.00 0.00 179.01 179.07 3k8e h LYS 85 N -0.34 0.63 0.00 2.33 1.57 -0.84 -2.51 116.57 117.40 3k8e h LYS 85 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3k8e h LYS 85 Cb 0.33 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3k8e h LYS 85 CO 0.00 0.60 -0.39 0.00 -0.57 0.00 0.00 179.45 179.10 3k8e n ALA 87 N -1.65 -1.68 -1.77 0.00 0.00 -0.58 -4.94 120.51 109.89 3k8e n ALA 87 Ca 0.05 0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 3k8e n ALA 87 Cb 0.38 -3.44 -0.02 0.00 0.00 0.00 0.00 19.45 16.37 3k8e n ALA 87 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k8e s PHE 88 N -3.44 3.06 0.55 0.00 0.08 -1.17 -5.00 117.98 112.06 3k8e s PHE 88 Ca 0.29 1.50 -0.20 0.00 0.12 0.00 0.00 56.93 58.64 3k8e s PHE 88 Cb -0.14 -3.53 -0.05 0.00 -0.57 0.00 0.00 43.02 38.73 3k8e s PHE 88 CO 0.78 -1.58 1.20 -1.54 -0.10 0.00 0.00 175.22 173.99 3k8e s SER 89 N -0.82 5.54 0.43 1.36 1.04 -1.26 -4.91 113.70 115.08 3k8e s SER 89 Ca 0.53 2.37 0.22 0.00 0.48 0.00 0.00 55.95 59.55 3k8e s SER 89 Cb -0.35 -2.60 1.19 0.00 0.10 0.00 0.00 66.02 64.36 3k8e s SER 89 CO 0.46 -1.35 1.78 0.44 0.98 0.00 0.00 173.24 175.54 3k8e h ASP 90 N 1.29 0.36 -0.17 7.02 3.32 -1.94 -0.44 116.42 125.85 3k8e h ASP 90 Ca -0.50 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3k8e h ASP 90 Cb 1.28 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3k8e h ASP 90 CO 0.57 0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 3k8e n ASP 91 N -4.55 1.84 -4.69 6.45 3.85 -1.26 0.10 116.55 118.29 3k8e n ASP 91 Ca 0.25 -1.73 -0.43 0.00 -0.71 0.00 0.00 54.79 52.17 3k8e n ASP 91 Cb 0.95 -0.11 -0.03 0.00 -1.35 0.00 0.00 41.12 40.58 3k8e n ASP 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3k8e n THR 92 N 0.44 0.28 -2.71 2.12 -1.04 -0.17 -4.77 114.28 108.42 3k8e n THR 92 Ca 0.17 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.70 3k8e n THR 92 Cb 0.36 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 66.84 3k8e n THR 92 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3k8e s VAL 93 N 2.37 4.84 -0.08 12.58 1.01 -1.26 -0.68 120.40 139.17 3k8e s VAL 93 Ca 0.81 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.87 3k8e s VAL 93 Cb -0.53 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.54 3k8e s VAL 93 CO 0.38 0.10 -0.19 -0.63 0.00 0.00 0.00 175.10 174.76 3k8e s ILE 94 N 1.39 1.66 -0.14 2.22 -1.09 0.69 -0.71 121.20 125.22 3k8e s ILE 94 Ca 0.50 -0.79 -0.00 0.00 -2.23 0.00 0.00 60.65 58.13 3k8e s ILE 94 Cb -0.20 -1.46 -0.01 0.00 -1.58 0.00 0.00 42.46 39.21 3k8e s ILE 94 CO 0.24 0.47 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.60 3k8e s VAL 95 N 0.45 2.93 -0.38 2.92 1.01 0.73 -1.20 120.40 126.86 3k8e s VAL 95 Ca -0.16 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 3k8e s VAL 95 Cb -0.17 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.98 3k8e s VAL 95 CO 0.07 0.52 0.57 0.21 0.00 0.00 0.00 175.10 176.46 3k8e s ASN 96 N 0.56 6.34 -0.19 3.32 3.84 -0.18 -1.57 114.94 127.05 3k8e s ASN 96 Ca -0.08 -0.10 -0.03 0.00 0.21 0.00 0.00 52.86 52.86 3k8e s ASN 96 Cb -0.16 -2.29 -0.01 0.00 -0.55 0.00 0.00 41.25 38.24 3k8e s ASN 96 CO 0.04 -0.58 -0.06 -0.69 -2.79 0.00 0.00 177.10 173.02 3k8e s VAL 97 N 2.55 3.41 0.61 -5.21 1.01 -1.04 -3.01 120.40 118.72 3k8e s VAL 97 Ca 0.21 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 3k8e s VAL 97 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3k8e s VAL 97 CO 0.15 0.45 1.22 -1.10 0.00 0.00 0.00 175.10 175.82 3k8e s GLN 98 N 1.11 2.85 0.00 2.72 -0.21 -1.26 -4.08 119.66 120.79 3k8e s GLN 98 Ca 0.01 1.86 0.18 0.00 0.02 0.00 0.00 55.36 57.43 3k8e s GLN 98 Cb -0.15 -1.91 0.74 0.00 1.00 0.00 0.00 33.01 32.69 3k8e s GLN 98 CO -0.01 -1.31 1.52 0.41 -2.12 0.00 0.00 175.29 173.78 3k8e n GLY 99 N 0.56 -0.01 1.84 3.09 0.00 -1.26 -3.47 105.19 105.93 3k8e n GLY 99 Ca 0.14 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 3k8e n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k8e n ASP 100 N 0.07 3.49 -3.26 1.61 5.75 -1.26 -4.52 116.55 118.43 3k8e n ASP 100 Ca 0.14 -3.69 -0.25 0.00 -0.01 0.00 0.00 54.79 50.98 3k8e n ASP 100 Cb 0.25 -0.76 -0.07 0.00 -1.03 0.00 0.00 41.12 39.51 3k8e n ASP 100 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3k8e n GLU 101 N -1.12 1.98 0.13 0.11 1.02 -1.23 -1.07 120.64 120.47 3k8e n GLU 101 Ca 0.50 -4.17 0.11 0.00 -0.02 0.00 0.00 57.16 53.58 3k8e n GLU 101 Cb 1.37 -1.91 0.50 0.00 -0.02 0.00 0.00 31.44 31.39 3k8e n GLU 101 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3k8e n PRO 102 N 0.77 0.16 -0.13 3.49 -0.04 -1.26 -2.57 135.00 135.41 3k8e n PRO 102 Ca 0.27 0.50 0.04 0.00 -0.04 0.00 0.00 63.50 64.28 3k8e n PRO 102 Cb 0.47 -1.87 0.11 0.00 -0.04 0.00 0.00 33.50 32.16 3k8e n PRO 102 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3k8e n MET 103 N -2.18 2.84 -1.85 0.54 2.81 -1.26 -4.57 117.12 113.45 3k8e n MET 103 Ca 0.01 -1.96 -0.42 0.00 -1.81 0.00 0.00 57.70 53.52 3k8e n MET 103 Cb 0.14 -1.24 -0.03 0.00 -0.71 0.00 0.00 33.22 31.38 3k8e n MET 103 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3k8e s ILE 104 N -1.26 2.36 0.22 2.02 2.07 -1.06 -4.73 121.20 120.81 3k8e s ILE 104 Ca 0.17 0.26 -0.31 0.00 -1.41 0.00 0.00 60.65 59.36 3k8e s ILE 104 Cb 0.11 -3.17 -0.10 0.00 0.13 0.00 0.00 42.46 39.43 3k8e s ILE 104 CO 0.09 0.02 1.55 -2.84 -1.91 0.00 0.00 174.94 171.85 3k8e s PRO 105 N 1.08 4.20 0.53 3.50 0.02 -1.26 -4.87 135.00 138.20 3k8e s PRO 105 Ca 0.72 2.41 0.20 0.00 0.02 0.00 0.00 61.00 64.35 3k8e s PRO 105 Cb -0.46 -3.11 1.37 0.00 0.02 0.00 0.00 34.50 32.32 3k8e s PRO 105 CO 0.32 -0.56 2.12 0.00 -0.33 0.00 0.00 177.00 178.55 3k8e h ALA 106 N 5.81 2.07 -0.65 -1.55 0.00 -1.92 -2.77 119.26 120.25 3k8e h ALA 106 Ca -0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3k8e h ALA 106 Cb 1.21 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3k8e h ALA 106 CO 0.85 -0.18 0.28 1.79 0.00 0.00 0.00 179.25 181.99 3k8e h THR 107 N 0.00 1.23 0.00 0.00 1.35 -1.92 -2.42 112.91 111.15 3k8e h THR 107 Ca 0.07 -0.70 -0.09 0.00 -0.55 0.00 0.00 66.41 65.14 3k8e h THR 107 Cb 0.28 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 3k8e h THR 107 CO -0.00 0.28 -0.45 0.16 -0.25 0.00 0.00 175.52 175.26 3k8e h ILE 108 N 0.91 1.06 -0.29 6.82 3.07 -1.85 -0.19 117.51 127.03 3k8e h ILE 108 Ca 0.22 -1.70 -0.01 0.00 1.55 0.00 0.00 64.86 64.92 3k8e h ILE 108 Cb 0.17 1.99 -0.01 0.00 -0.27 0.00 0.00 36.82 38.70 3k8e h ILE 108 CO -0.02 0.44 0.14 0.40 -1.05 0.00 0.00 178.15 178.05 3k8e h ILE 109 N 0.00 1.16 -0.72 0.16 2.04 -1.46 -2.61 117.51 116.08 3k8e h ILE 109 Ca -0.00 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 3k8e h ILE 109 Cb 0.96 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3k8e h ILE 109 CO 0.06 0.16 0.22 -0.09 0.00 0.00 0.00 178.15 178.50 3k8e h ARG 110 N 0.33 1.12 -0.22 2.37 2.43 -1.28 -2.85 114.38 116.28 3k8e h ARG 110 Ca 0.10 -0.24 0.05 0.00 -0.81 0.00 0.00 59.98 59.08 3k8e h ARG 110 Cb 0.13 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 3k8e h ARG 110 CO -0.01 0.96 -0.15 0.37 -1.51 0.00 0.00 179.97 179.62 3k8e h GLN 111 N 1.06 -0.14 -0.77 0.20 4.15 -0.88 0.19 115.11 118.91 3k8e h GLN 111 Ca 0.23 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 3k8e h GLN 111 Cb 0.31 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 3k8e h GLN 111 CO -0.01 -0.10 0.28 0.28 -1.93 0.00 0.00 178.83 177.36 3k8e h VAL 112 N -0.15 1.26 -0.13 2.39 2.07 -1.42 -0.33 116.25 119.94 3k8e h VAL 112 Ca 0.13 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3k8e h VAL 112 Cb 0.34 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3k8e h VAL 112 CO -0.31 0.35 0.07 0.00 0.02 0.00 0.00 177.57 177.70 3k8e h ALA 113 N 1.17 0.17 -0.64 1.67 0.00 -1.19 -2.30 119.26 118.13 3k8e h ALA 113 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3k8e h ALA 113 Cb 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3k8e h ALA 113 CO -0.02 -0.30 0.19 -0.44 0.00 0.00 0.00 179.25 178.68 3k8e h ASP 114 N 0.12 0.91 -0.71 0.00 3.32 -0.75 -1.46 116.42 117.85 3k8e h ASP 114 Ca 0.05 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 56.95 3k8e h ASP 114 Cb 0.06 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 3k8e h ASP 114 CO -0.01 0.86 0.47 0.78 -1.72 0.00 0.00 179.24 179.62 3k8e h ASN 115 N 0.95 0.78 0.05 6.45 2.35 -0.92 -2.37 115.58 122.87 3k8e h ASN 115 Ca 0.21 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.77 3k8e h ASN 115 Cb 0.28 -0.19 0.02 0.00 0.05 0.00 0.00 38.32 38.48 3k8e h ASN 115 CO -0.01 0.55 -0.70 0.25 -1.65 0.00 0.00 177.43 175.88 3k8e h LEU 116 N 0.91 0.53 -1.12 1.61 7.12 -1.05 -3.31 115.31 120.00 3k8e h LEU 116 Ca 0.27 -0.82 -0.00 0.00 0.13 0.00 0.00 57.88 57.46 3k8e h LEU 116 Cb -0.03 -0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 39.89 3k8e h LEU 116 CO -0.07 1.29 0.49 0.00 -0.13 0.00 0.00 178.44 180.03 3k8e h ALA 117 N 0.24 1.35 -0.26 1.25 0.00 -1.11 -2.84 119.26 117.89 3k8e h ALA 117 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3k8e h ALA 117 Cb 1.44 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3k8e h ALA 117 CO 0.14 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3k8e n GLN 118 N -4.38 1.69 -4.25 0.00 10.64 -0.91 -4.87 117.38 115.30 3k8e n GLN 118 Ca 0.09 -1.07 -0.14 0.00 -1.83 0.00 0.00 57.00 54.05 3k8e n GLN 118 Cb 0.06 -1.28 -0.10 0.00 -0.86 0.00 0.00 30.24 28.06 3k8e n GLN 118 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3k8e s ARG 119 N -1.65 1.18 -0.63 2.61 0.52 -1.07 -5.06 118.95 114.84 3k8e s ARG 119 Ca 0.24 -1.59 0.01 0.00 -0.52 0.00 0.00 55.73 53.87 3k8e s ARG 119 Cb 0.13 -0.21 0.41 0.00 0.52 0.00 0.00 34.95 35.80 3k8e s ARG 119 CO 0.17 -0.19 1.75 0.94 0.02 0.00 0.00 175.30 177.99 3k8e n GLN 120 N -0.29 2.98 -4.20 3.54 7.27 -1.26 -4.93 117.38 120.49 3k8e n GLN 120 Ca -0.04 -3.71 -0.25 0.00 0.07 0.00 0.00 57.00 53.07 3k8e n GLN 120 Cb 0.64 -2.28 -0.07 0.00 2.41 0.00 0.00 30.24 30.95 3k8e n GLN 120 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3k8e s VAL 121 N -4.99 3.83 0.26 1.69 1.01 -1.26 -5.04 120.40 115.89 3k8e s VAL 121 Ca 0.56 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3k8e s VAL 121 Cb 0.45 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.90 3k8e s VAL 121 CO -0.17 -0.22 1.68 1.23 0.00 0.00 0.00 175.10 177.62 3k8e h GLY 122 N 2.26 0.60 -5.59 4.51 0.00 -1.95 -3.46 103.07 99.45 3k8e h GLY 122 Ca -0.47 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.19 3k8e h GLY 122 CO 0.59 0.47 -0.38 -0.29 0.00 0.00 0.00 176.54 176.94 3k8e s MET 123 N -4.48 0.32 0.17 4.80 1.75 -1.24 -3.65 119.30 116.98 3k8e s MET 123 Ca -0.07 0.54 0.11 0.00 -1.25 0.00 0.00 55.69 55.02 3k8e s MET 123 Cb 0.13 0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.81 3k8e s MET 123 CO 0.81 -0.10 -0.25 0.00 -0.65 0.00 0.00 175.02 174.82 3k8e s ALA 124 N 0.76 2.47 0.12 4.11 0.00 0.78 -1.58 121.76 128.42 3k8e s ALA 124 Ca -0.05 -1.58 -0.03 0.00 0.00 0.00 0.00 51.96 50.30 3k8e s ALA 124 Cb -0.06 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3k8e s ALA 124 CO -0.05 0.46 0.21 -2.37 0.00 0.00 0.00 175.76 174.00 3k8e n THR 125 N 0.46 0.00 -4.11 0.00 5.66 0.68 -0.46 114.28 116.51 3k8e n THR 125 Ca -0.14 -0.42 -0.12 0.00 -3.05 0.00 0.00 64.05 60.32 3k8e n THR 125 Cb 0.55 0.33 -0.11 0.00 -1.55 0.00 0.00 70.33 69.55 3k8e n THR 125 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3k8e s LEU 126 N 0.00 2.35 0.11 1.09 1.02 -1.26 -2.28 118.68 119.71 3k8e s LEU 126 Ca 0.07 -0.72 -0.06 0.00 0.02 0.00 0.00 54.13 53.44 3k8e s LEU 126 Cb -0.01 -0.15 -0.02 0.00 0.02 0.00 0.00 46.19 46.04 3k8e s LEU 126 CO 0.05 -0.29 0.15 0.00 0.02 0.00 0.00 176.35 176.28 3k8e s ALA 127 N -2.20 0.14 0.05 4.21 0.00 -0.65 -1.03 121.76 122.28 3k8e s ALA 127 Ca -0.02 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3k8e s ALA 127 Cb -0.04 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 3k8e s ALA 127 CO -0.01 -0.52 -0.10 0.14 0.00 0.00 0.00 175.76 175.27 3k8e s VAL 128 N -3.93 0.72 0.56 0.00 -7.23 -0.13 0.32 120.40 110.71 3k8e s VAL 128 Ca 0.11 -1.06 -0.20 0.00 -1.81 0.00 0.00 61.98 59.02 3k8e s VAL 128 Cb 0.05 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 3k8e s VAL 128 CO -0.06 -0.27 1.27 -2.16 -0.31 0.00 0.00 175.10 173.57 3k8e s PRO 129 N -1.47 3.09 -0.12 4.82 0.04 -1.26 0.38 135.00 140.49 3k8e s PRO 129 Ca -0.06 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 3k8e s PRO 129 Cb -0.09 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3k8e s PRO 129 CO 0.01 -1.16 0.12 0.42 0.04 0.00 0.00 177.00 176.43 3k8e s ILE 130 N -1.45 5.34 0.00 0.56 1.01 0.01 -4.69 121.20 121.99 3k8e s ILE 130 Ca 0.74 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.54 3k8e s ILE 130 Cb -0.35 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3k8e s ILE 130 CO 0.40 0.61 0.00 1.41 0.00 0.00 0.00 174.94 177.35 3k8e n HIS 131 N 2.11 0.00 -4.27 3.97 8.25 -1.26 -4.66 115.22 119.36 3k8e n HIS 131 Ca -0.20 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.92 3k8e n HIS 131 Cb 0.55 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.55 3k8e n HIS 131 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3k8e s ASN 132 N -0.77 5.26 0.15 0.41 -0.87 -1.26 -4.38 114.94 113.47 3k8e s ASN 132 Ca 0.00 0.06 -0.17 0.00 -1.57 0.00 0.00 52.86 51.18 3k8e s ASN 132 Cb 0.00 -1.71 0.04 0.00 -0.02 0.00 0.00 41.25 39.55 3k8e s ASN 132 CO 0.00 0.27 1.73 0.00 -2.57 0.00 0.00 177.10 176.53 3k8e h ALA 133 N 6.00 0.32 -0.76 0.60 0.00 -1.96 -0.19 119.26 123.27 3k8e h ALA 133 Ca -0.42 0.06 0.18 0.00 0.00 0.00 0.00 54.91 54.73 3k8e h ALA 133 Cb 1.19 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 3k8e h ALA 133 CO 0.61 -0.35 0.11 1.49 0.00 0.00 0.00 179.25 181.11 3k8e h GLU 134 N 0.17 0.18 -0.01 0.00 4.57 -1.97 0.33 114.58 117.83 3k8e h GLU 134 Ca 0.14 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.12 3k8e h GLU 134 Cb 0.16 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3k8e h GLU 134 CO -0.19 0.12 -0.82 1.49 -1.18 0.00 0.00 179.01 178.42 3k8e h GLU 135 N 0.18 0.23 -0.58 1.92 4.81 -1.85 -1.59 114.58 117.70 3k8e h GLU 135 Ca 0.43 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3k8e h GLU 135 Cb 0.78 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 3k8e h GLU 135 CO -0.60 0.93 0.18 0.00 -0.73 0.00 0.00 179.01 178.79 3k8e h ALA 136 N 0.99 1.22 -0.04 2.92 0.00 0.81 -2.86 119.26 122.30 3k8e h ALA 136 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3k8e h ALA 136 Cb 1.43 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3k8e h ALA 136 CO 0.13 0.55 0.00 1.19 0.00 0.00 0.00 179.25 181.12 3k8e n PHE 137 N -4.29 0.03 -2.17 0.00 3.72 -0.08 -4.45 117.46 110.22 3k8e n PHE 137 Ca 0.05 -0.01 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 3k8e n PHE 137 Cb 0.21 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 3k8e n PHE 137 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3k8e s ASN 138 N -1.96 6.46 0.55 4.37 3.84 -0.60 -4.91 114.94 122.69 3k8e s ASN 138 Ca 0.33 1.60 0.33 0.00 0.21 0.00 0.00 52.86 55.33 3k8e s ASN 138 Cb 0.20 -2.53 1.44 0.00 -0.55 0.00 0.00 41.25 39.82 3k8e s ASN 138 CO 0.32 -1.19 2.02 1.55 -2.79 0.00 0.00 177.10 177.00 3k8e h PRO 139 N 10.33 0.00 0.00 0.43 0.13 -1.88 -2.51 132.00 138.51 3k8e h PRO 139 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3k8e h PRO 139 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3k8e h PRO 139 CO 1.00 0.05 0.00 -0.91 -0.23 0.00 0.00 178.00 177.91 3k8e h ASN 140 N 0.00 0.00 -3.59 1.44 2.35 -1.90 -3.41 115.58 110.46 3k8e h ASN 140 Ca -0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 3k8e h ASN 140 Cb 0.46 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.70 3k8e h ASN 140 CO 0.01 0.00 -0.28 0.00 -1.65 0.00 0.00 177.43 175.50 3k8e s ALA 141 N -3.72 3.57 -0.16 -0.83 0.00 -0.95 -5.06 121.76 114.62 3k8e s ALA 141 Ca -0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 3k8e s ALA 141 Cb 0.10 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 3k8e s ALA 141 CO 0.45 -0.40 0.66 0.08 0.00 0.00 0.00 175.76 176.54 3k8e s VAL 142 N 1.53 5.02 0.14 0.00 1.01 -1.26 -4.77 120.40 122.06 3k8e s VAL 142 Ca 0.15 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 3k8e s VAL 142 Cb -0.15 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3k8e s VAL 142 CO 0.08 0.15 0.32 -0.54 0.00 0.00 0.00 175.10 175.11 3k8e s LYS 143 N 1.59 3.52 -0.01 2.72 1.02 -0.16 0.02 119.74 128.44 3k8e s LYS 143 Ca 0.32 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.99 3k8e s LYS 143 Cb -0.16 -2.91 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 3k8e s LYS 143 CO 0.12 0.49 0.01 0.54 -0.92 0.00 0.00 175.35 175.60 3k8e s VAL 144 N -1.69 -0.00 0.06 3.17 0.11 -1.05 -1.34 120.40 119.66 3k8e s VAL 144 Ca 0.38 0.10 0.08 0.00 -2.93 0.00 0.00 61.98 59.61 3k8e s VAL 144 Cb -0.12 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 3k8e s VAL 144 CO 0.27 0.05 -0.22 0.68 -3.33 0.00 0.00 175.10 172.56 3k8e s VAL 145 N 0.55 2.50 0.21 2.04 -7.23 -0.98 -4.25 120.40 113.25 3k8e s VAL 145 Ca -0.05 -1.34 0.11 0.00 -1.81 0.00 0.00 61.98 58.89 3k8e s VAL 145 Cb -0.07 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 3k8e s VAL 145 CO -0.01 0.30 -0.20 -0.76 -0.31 0.00 0.00 175.10 174.12 3k8e s LEU 146 N -1.48 2.58 0.00 1.32 1.43 -1.26 -0.78 118.68 120.48 3k8e s LEU 146 Ca 0.14 -0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 52.36 3k8e s LEU 146 Cb -0.10 -1.24 0.07 0.00 0.03 0.00 0.00 46.19 44.94 3k8e s LEU 146 CO 0.04 0.10 0.46 -0.90 0.23 0.00 0.00 176.35 176.28 3k8e n ASP 147 N -0.01 0.41 0.25 2.29 5.68 -0.14 -4.80 116.55 120.23 3k8e n ASP 147 Ca -0.10 -1.39 0.10 0.00 -0.50 0.00 0.00 54.79 52.89 3k8e n ASP 147 Cb 0.57 -0.32 0.66 0.00 -1.14 0.00 0.00 41.12 40.89 3k8e n ASP 147 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k8e h ALA 148 N -0.95 1.61 -0.35 2.12 0.00 -2.01 -2.44 119.26 117.24 3k8e h ALA 148 Ca -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3k8e h ALA 148 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3k8e h ALA 148 CO 0.14 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.91 3k8e n GLU 149 N -4.09 2.43 -0.23 0.00 1.02 -1.26 -4.94 120.64 113.56 3k8e n GLU 149 Ca -0.02 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.90 3k8e n GLU 149 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 3k8e n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k8e n GLY 150 N 1.42 0.75 3.78 0.62 0.00 -0.92 -4.95 105.19 105.88 3k8e n GLY 150 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3k8e n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k8e s TYR 151 N -2.24 3.65 -0.02 1.61 2.02 -1.26 -0.69 117.35 120.42 3k8e s TYR 151 Ca 0.00 1.77 -0.30 0.00 -0.37 0.00 0.00 57.07 58.17 3k8e s TYR 151 Cb 0.00 -2.96 -0.05 0.00 -0.40 0.00 0.00 41.96 38.55 3k8e s TYR 151 CO 0.00 0.10 1.42 0.00 -1.57 0.00 0.00 175.55 175.50 3k8e s ALA 152 N -1.59 3.59 -0.02 3.71 0.00 -0.18 -0.97 121.76 126.29 3k8e s ALA 152 Ca 0.50 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 53.10 3k8e s ALA 152 Cb -0.20 -3.61 -0.24 0.00 0.00 0.00 0.00 23.12 19.07 3k8e s ALA 152 CO 0.25 -0.98 1.04 -0.07 0.00 0.00 0.00 175.76 176.00 3k8e h LEU 153 N 8.66 0.41 -7.00 0.00 3.38 -1.27 -3.44 115.31 116.04 3k8e h LEU 153 Ca -0.37 -0.79 -0.03 0.00 0.09 0.00 0.00 57.88 56.77 3k8e h LEU 153 Cb 1.17 -0.13 -0.20 0.00 0.09 0.00 0.00 40.66 41.59 3k8e h LEU 153 CO 0.91 1.15 0.25 -0.47 0.09 0.00 0.00 178.44 180.37 3k8e s TYR 154 N -3.06 -0.63 -0.02 1.13 5.04 -1.21 -5.03 117.35 113.57 3k8e s TYR 154 Ca -0.14 1.18 0.04 0.00 -2.44 0.00 0.00 57.07 55.70 3k8e s TYR 154 Cb 0.02 0.39 -0.03 0.00 0.35 0.00 0.00 41.96 42.69 3k8e s TYR 154 CO 0.79 -0.52 -0.12 -0.06 -1.34 0.00 0.00 175.55 174.30 3k8e s PHE 155 N -0.89 2.74 0.12 4.97 0.08 -1.26 -2.32 117.98 121.42 3k8e s PHE 155 Ca -0.07 -0.13 -0.21 0.00 0.12 0.00 0.00 56.93 56.63 3k8e s PHE 155 Cb -0.01 -1.59 0.05 0.00 -0.57 0.00 0.00 43.02 40.90 3k8e s PHE 155 CO 0.07 0.26 0.52 0.45 -0.10 0.00 0.00 175.22 176.42 3k8e s SER 156 N -1.09 -0.43 0.13 1.36 0.15 -0.45 -5.00 113.70 108.38 3k8e s SER 156 Ca 0.14 -0.04 0.23 0.00 0.70 0.00 0.00 55.95 56.98 3k8e s SER 156 Cb -0.11 0.53 0.10 0.00 -1.71 0.00 0.00 66.02 64.83 3k8e s SER 156 CO 0.04 -0.86 1.10 0.54 1.20 0.00 0.00 173.24 175.25 3k8e n ARG 157 N -0.10 0.44 -0.91 5.44 1.74 -1.26 -0.99 116.66 121.02 3k8e n ARG 157 Ca -0.17 0.07 -0.31 0.00 -0.77 0.00 0.00 57.85 56.67 3k8e n ARG 157 Cb 0.63 -1.72 0.15 0.00 -1.02 0.00 0.00 32.46 30.50 3k8e n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k8e s ALA 158 N -3.28 1.51 -0.78 7.54 0.00 -1.26 -4.34 121.76 121.15 3k8e s ALA 158 Ca 0.02 0.34 -0.23 0.00 0.00 0.00 0.00 51.96 52.09 3k8e s ALA 158 Cb 0.12 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.96 3k8e s ALA 158 CO 0.78 -2.53 1.15 0.99 0.00 0.00 0.00 175.76 176.15 3k8e s THR 159 N -2.74 4.17 -0.00 0.00 2.01 -1.26 -4.62 115.64 113.19 3k8e s THR 159 Ca 0.65 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 62.29 3k8e s THR 159 Cb -0.21 -4.82 -0.02 0.00 0.01 0.00 0.00 72.50 67.46 3k8e s THR 159 CO 0.58 -1.65 -0.22 0.27 -0.69 0.00 0.00 174.62 172.91 3k8e s ILE 160 N 4.41 1.74 0.49 1.82 -4.36 -1.26 -3.59 121.20 120.45 3k8e s ILE 160 Ca 0.31 -1.02 -0.20 0.00 -0.26 0.00 0.00 60.65 59.49 3k8e s ILE 160 Cb -0.10 -1.46 -0.08 0.00 1.25 0.00 0.00 42.46 42.06 3k8e s ILE 160 CO 0.05 0.42 1.02 -2.16 0.24 0.00 0.00 174.94 174.51 3k8e s PRO 161 N -0.69 3.85 -0.39 0.37 0.04 -1.26 -4.55 135.00 132.37 3k8e s PRO 161 Ca 0.08 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 3k8e s PRO 161 Cb -0.09 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.35 3k8e s PRO 161 CO -0.00 -0.37 1.38 -0.46 0.04 0.00 0.00 177.00 177.58 3k8e s TRP 162 N -2.11 2.47 -0.80 0.56 -0.11 -1.24 -4.95 118.94 112.77 3k8e s TRP 162 Ca 0.65 0.72 -0.03 0.00 1.22 0.00 0.00 56.10 58.66 3k8e s TRP 162 Cb -0.14 -4.22 0.20 0.00 -1.50 0.00 0.00 33.47 27.81 3k8e s TRP 162 CO 0.21 -1.91 0.66 0.34 -4.62 0.00 0.00 176.95 171.63 3k8e s ASP 163 N 3.62 5.81 0.19 5.86 -1.08 -1.26 -4.92 116.67 124.89 3k8e s ASP 163 Ca 0.60 -3.33 -0.18 0.00 -0.52 0.00 0.00 52.55 49.11 3k8e s ASP 163 Cb -0.14 -1.92 0.16 0.00 -1.46 0.00 0.00 42.92 39.56 3k8e s ASP 163 CO 0.30 -0.28 1.60 0.03 0.52 0.00 0.00 175.17 177.34 3k8e h ARG 164 N 6.52 -0.12 -0.15 4.34 3.08 -1.92 -2.78 114.38 123.36 3k8e h ARG 164 Ca 0.09 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.20 3k8e h ARG 164 Cb 0.88 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.89 3k8e h ARG 164 CO 0.80 -0.08 -0.40 -0.44 -1.07 0.00 0.00 179.97 178.78 3k8e h ASP 165 N -0.12 -1.26 -0.20 7.04 5.19 -1.96 -1.21 116.42 123.90 3k8e h ASP 165 Ca 0.26 0.17 0.03 0.00 -0.62 0.00 0.00 57.03 56.86 3k8e h ASP 165 Cb 0.53 0.52 -0.05 0.00 0.18 0.00 0.00 39.33 40.52 3k8e h ASP 165 CO -0.67 -0.41 -0.32 0.03 -3.12 0.00 0.00 179.24 174.75 3k8e h ARG 166 N -0.46 -0.25 -6.13 3.56 2.47 -1.93 -3.36 114.38 108.28 3k8e h ARG 166 Ca 0.08 0.02 -0.69 0.00 -1.26 0.00 0.00 59.98 58.13 3k8e h ARG 166 Cb 0.61 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 3k8e h ARG 166 CO -0.40 -0.16 1.11 1.19 0.56 0.00 0.00 179.97 182.26 3k8e n PHE 167 N -4.25 1.98 0.00 3.04 3.72 -0.46 -4.43 117.46 117.07 3k8e n PHE 167 Ca -0.02 0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 3k8e n PHE 167 Cb 0.20 -2.53 0.00 0.00 -0.94 0.00 0.00 39.48 36.22 3k8e n PHE 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k8e n ALA 168 N 7.05 0.00 -1.43 4.37 0.00 -1.26 -4.84 120.51 124.40 3k8e n ALA 168 Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.69 3k8e n ALA 168 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 3k8e n ALA 168 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3k8e n GLU 169 N 0.00 -0.37 -2.88 0.00 -0.00 -1.26 -5.04 120.64 111.08 3k8e n GLU 169 Ca 0.00 0.56 -0.08 0.00 -0.00 0.00 0.00 57.16 57.64 3k8e n GLU 169 Cb 0.00 -4.30 0.01 0.00 -0.00 0.00 0.00 31.44 27.15 3k8e n GLU 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3k8e n GLY 170 N -1.97 -1.29 3.16 -1.84 0.00 -1.26 -5.19 105.19 96.81 3k8e n GLY 170 Ca -0.05 1.20 -0.12 0.00 0.00 0.00 0.00 46.02 47.04 3k8e n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k8e s VAL 174 N -2.62 0.06 0.00 1.61 1.01 -1.26 -5.04 120.40 114.16 3k8e s VAL 174 Ca 0.23 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3k8e s VAL 174 Cb -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3k8e s VAL 174 CO 0.77 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3k8e n GLY 175 N 1.57 0.84 0.36 4.51 0.00 -1.26 -4.83 105.19 106.38 3k8e n GLY 175 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3k8e n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k8e n ASP 176 N 0.00 0.00 -0.24 1.61 8.00 -1.26 -4.77 116.55 119.89 3k8e n ASP 176 Ca 0.00 -1.70 0.08 0.00 0.71 0.00 0.00 54.79 53.88 3k8e n ASP 176 Cb 0.00 -0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 3k8e n ASP 176 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k8e n ASN 177 N 0.00 1.35 -4.72 -2.24 3.02 -1.26 -4.96 115.26 106.45 3k8e n ASN 177 Ca 0.00 -1.17 -0.38 0.00 -0.03 0.00 0.00 54.58 53.00 3k8e n ASN 177 Cb 0.64 0.68 -0.06 0.00 -0.61 0.00 0.00 39.78 40.43 3k8e n ASN 177 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3k8e s PHE 178 N -2.23 3.49 -0.08 3.10 0.08 -1.26 -4.70 117.98 116.37 3k8e s PHE 178 Ca 0.11 0.81 0.02 0.00 0.12 0.00 0.00 56.93 58.00 3k8e s PHE 178 Cb 0.13 -2.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 3k8e s PHE 178 CO 0.53 0.17 -0.15 -0.51 -0.10 0.00 0.00 175.22 175.17 3k8e s LEU 179 N 0.63 2.66 -0.16 -0.37 1.43 -1.26 -0.81 118.68 120.81 3k8e s LEU 179 Ca 0.24 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 3k8e s LEU 179 Cb -0.15 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 3k8e s LEU 179 CO 0.09 0.26 0.22 -0.60 0.23 0.00 0.00 176.35 176.55 3k8e s ARG 180 N -0.22 4.11 -0.07 1.70 3.52 0.16 -2.54 118.95 125.62 3k8e s ARG 180 Ca 0.00 -0.02 -0.27 0.00 -0.13 0.00 0.00 55.73 55.31 3k8e s ARG 180 Cb -0.13 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 3k8e s ARG 180 CO 0.03 0.35 0.88 -1.58 -0.81 0.00 0.00 175.30 174.18 3k8e s HIS 181 N 0.16 3.57 0.13 5.12 5.65 0.10 -0.95 115.29 129.07 3k8e s HIS 181 Ca 0.14 1.48 -0.19 0.00 0.25 0.00 0.00 55.06 56.74 3k8e s HIS 181 Cb -0.12 -3.03 -0.07 0.00 -1.18 0.00 0.00 32.58 28.18 3k8e s HIS 181 CO 0.02 -0.06 0.62 -0.51 -0.65 0.00 0.00 174.74 174.16 3k8e s LEU 182 N 1.33 4.45 -0.78 8.88 1.02 -0.20 -4.64 118.68 128.75 3k8e s LEU 182 Ca 0.45 1.30 -0.06 0.00 0.02 0.00 0.00 54.13 55.84 3k8e s LEU 182 Cb -0.19 -3.18 -0.01 0.00 0.02 0.00 0.00 46.19 42.82 3k8e s LEU 182 CO 0.21 0.17 2.87 0.61 0.02 0.00 0.00 176.35 180.23 3k8e n GLY 183 N 1.26 4.29 3.14 -3.19 0.00 -1.26 -4.42 105.19 105.02 3k8e n GLY 183 Ca -0.07 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 3k8e n GLY 183 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3k8e s ILE 184 N -0.61 1.46 0.05 -0.61 2.07 -1.26 -4.58 121.20 117.71 3k8e s ILE 184 Ca 0.61 -0.73 0.03 0.00 -1.41 0.00 0.00 60.65 59.15 3k8e s ILE 184 Cb 0.28 -1.25 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 3k8e s ILE 184 CO -0.12 0.42 -0.10 -0.31 -1.91 0.00 0.00 174.94 172.92 3k8e s TYR 185 N 0.03 0.90 -0.03 3.50 1.51 -1.16 -4.02 117.35 118.08 3k8e s TYR 185 Ca -0.04 -0.46 0.05 0.00 -1.01 0.00 0.00 57.07 55.61 3k8e s TYR 185 Cb -0.12 -0.52 -0.01 0.00 -0.11 0.00 0.00 41.96 41.20 3k8e s TYR 185 CO 0.02 -0.02 -0.18 0.20 -1.11 0.00 0.00 175.55 174.46 3k8e s GLY 186 N -1.57 0.92 0.16 0.71 0.00 0.39 -1.01 107.32 106.91 3k8e s GLY 186 Ca -0.06 -0.76 -0.10 0.00 0.00 0.00 0.00 44.72 43.80 3k8e s GLY 186 CO 0.01 -0.55 0.30 -0.19 0.00 0.00 0.00 173.10 172.67 3k8e s TYR 187 N -0.25 0.34 0.33 1.90 1.51 -0.34 -0.15 117.35 120.68 3k8e s TYR 187 Ca 0.03 -0.71 -0.19 0.00 -1.01 0.00 0.00 57.07 55.20 3k8e s TYR 187 Cb -0.09 -0.02 -0.09 0.00 -0.11 0.00 0.00 41.96 41.65 3k8e s TYR 187 CO 0.00 -0.72 0.81 1.03 -1.11 0.00 0.00 175.55 175.56 3k8e s ARG 188 N -3.95 4.17 0.30 -0.62 1.81 -1.24 -0.22 118.95 119.19 3k8e s ARG 188 Ca 0.16 0.89 0.05 0.00 -1.72 0.00 0.00 55.73 55.11 3k8e s ARG 188 Cb 0.03 -2.48 0.72 0.00 -0.45 0.00 0.00 34.95 32.77 3k8e s ARG 188 CO -0.01 0.16 1.76 0.00 -0.68 0.00 0.00 175.30 176.54 3k8e h ALA 189 N 2.47 1.61 -0.36 2.13 0.00 -0.36 -1.63 119.26 123.11 3k8e h ALA 189 Ca -0.48 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3k8e h ALA 189 Cb 1.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3k8e h ALA 189 CO 0.64 -0.09 -0.12 0.78 0.00 0.00 0.00 179.25 180.46 3k8e h GLY 190 N 0.71 0.67 1.01 0.00 0.00 -0.61 -2.67 103.07 102.18 3k8e h GLY 190 Ca 0.57 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3k8e h GLY 190 CO -0.40 0.45 0.36 -2.75 0.00 0.00 0.00 176.54 174.20 3k8e h PHE 191 N 0.57 1.02 -0.48 5.60 3.57 -1.54 -2.94 116.94 122.75 3k8e h PHE 191 Ca 0.10 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3k8e h PHE 191 Cb 0.55 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3k8e h PHE 191 CO 0.02 0.75 0.31 0.82 -2.23 0.00 0.00 178.31 177.98 3k8e h ILE 192 N 1.00 1.12 -0.92 1.41 1.08 -1.29 0.24 117.51 120.15 3k8e h ILE 192 Ca 0.25 -0.22 0.04 0.00 -0.39 0.00 0.00 64.86 64.54 3k8e h ILE 192 Cb 0.10 0.42 -0.06 0.00 -3.07 0.00 0.00 36.82 34.21 3k8e h ILE 192 CO -0.03 0.12 0.59 0.03 -0.69 0.00 0.00 178.15 178.17 3k8e h ARG 193 N 0.64 1.11 0.14 2.37 3.08 -1.39 -2.74 114.38 117.59 3k8e h ARG 193 Ca 0.18 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3k8e h ARG 193 Cb -0.07 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.73 3k8e h ARG 193 CO -0.04 0.73 -0.07 0.00 -1.07 0.00 0.00 179.97 179.53 3k8e h ARG 194 N 1.14 -0.18 -0.79 0.04 3.08 -1.33 -3.30 114.38 113.05 3k8e h ARG 194 Ca 0.37 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.61 3k8e h ARG 194 Cb 0.03 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.00 3k8e h ARG 194 CO -0.13 0.27 0.25 -0.92 -1.07 0.00 0.00 179.97 178.36 3k8e h TYR 195 N -0.76 0.40 0.00 3.04 3.20 -0.84 0.13 116.97 122.14 3k8e h TYR 195 Ca -0.02 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3k8e h TYR 195 Cb 0.53 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 3k8e h TYR 195 CO 0.08 -0.06 -0.15 -0.39 -1.64 0.00 0.00 178.16 176.01 3k8e h VAL 196 N 0.32 0.37 -0.00 1.81 -1.51 -1.60 -2.32 116.25 113.32 3k8e h VAL 196 Ca 0.46 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3k8e h VAL 196 Cb 0.80 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3k8e h VAL 196 CO -0.51 0.14 -0.06 0.59 -1.23 0.00 0.00 177.57 176.51 3k8e n ASN 197 N -3.30 0.22 -4.75 4.19 5.03 0.01 -4.86 115.26 111.80 3k8e n ASN 197 Ca 0.00 -0.38 -0.40 0.00 0.87 0.00 0.00 54.58 54.67 3k8e n ASN 197 Cb 0.39 -0.17 -0.05 0.00 -1.02 0.00 0.00 39.78 38.93 3k8e n ASN 197 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3k8e s TRP 198 N -2.51 3.77 0.35 3.10 0.51 -0.88 -5.01 118.94 118.28 3k8e s TRP 198 Ca 0.29 1.79 -0.28 0.00 -2.12 0.00 0.00 56.10 55.78 3k8e s TRP 198 Cb 0.20 -3.14 -0.12 0.00 -0.81 0.00 0.00 33.47 29.60 3k8e s TRP 198 CO 0.47 -0.08 1.38 0.94 -0.51 0.00 0.00 176.95 179.15 3k8e n GLN 199 N 1.56 2.35 -2.13 4.98 -0.06 -1.26 -4.95 117.38 117.88 3k8e n GLN 199 Ca -0.01 0.82 -0.36 0.00 -2.00 0.00 0.00 57.00 55.46 3k8e n GLN 199 Cb 0.46 -2.47 0.01 0.00 -4.06 0.00 0.00 30.24 24.19 3k8e n GLN 199 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 3k8e s PRO 200 N -1.90 3.27 0.29 3.69 0.02 -1.26 -5.02 135.00 134.09 3k8e s PRO 200 Ca 0.55 1.78 -0.11 0.00 0.02 0.00 0.00 61.00 63.24 3k8e s PRO 200 Cb -0.53 -2.08 -0.07 0.00 0.02 0.00 0.00 34.50 31.84 3k8e s PRO 200 CO 0.62 -0.95 0.64 -1.54 -0.33 0.00 0.00 177.00 175.44 3k8e s SER 201 N -1.55 6.64 0.33 2.53 1.04 -1.26 -4.99 113.70 116.43 3k8e s SER 201 Ca 0.73 1.04 0.03 0.00 0.48 0.00 0.00 55.95 58.22 3k8e s SER 201 Cb -0.29 -2.28 0.57 0.00 0.10 0.00 0.00 66.02 64.13 3k8e s SER 201 CO 0.32 -0.17 1.88 -0.65 0.98 0.00 0.00 173.24 175.61 3k8e h PRO 202 N 2.19 0.62 -0.61 4.02 0.11 -2.00 -2.82 132.00 133.51 3k8e h PRO 202 Ca -0.47 -0.12 0.12 0.00 0.11 0.00 0.00 66.00 65.64 3k8e h PRO 202 Cb 1.18 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 3k8e h PRO 202 CO 0.67 0.59 0.08 -0.07 -0.21 0.00 0.00 178.00 179.06 3k8e h LEU 203 N 0.60 -0.10 -1.45 2.35 3.38 -1.96 -2.65 115.31 115.48 3k8e h LEU 203 Ca 0.14 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3k8e h LEU 203 Cb 0.27 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3k8e h LEU 203 CO 0.00 -0.04 -0.22 1.05 0.09 0.00 0.00 178.44 179.32 3k8e h GLU 204 N 0.20 0.00 0.00 1.13 4.11 -1.74 -1.31 114.58 116.97 3k8e h GLU 204 Ca 0.32 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.60 3k8e h GLU 204 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3k8e h GLU 204 CO -0.46 0.22 -0.75 0.45 0.07 0.00 0.00 179.01 178.54 3k8e h HIS 205 N 0.00 0.00 0.00 2.06 3.86 -1.56 -0.50 115.15 119.01 3k8e h HIS 205 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3k8e h HIS 205 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 3k8e h HIS 205 CO 0.00 0.75 -0.00 0.82 0.86 0.00 0.00 177.93 180.36 3k8e h ILE 206 N 0.00 1.60 0.00 2.45 2.04 -1.08 -3.32 117.51 119.20 3k8e h ILE 206 Ca -0.01 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.02 3k8e h ILE 206 Cb 1.44 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 40.35 3k8e h ILE 206 CO 0.10 0.47 -0.03 -0.33 0.00 0.00 0.00 178.15 178.36 3k8e h GLU 207 N -0.79 0.00 -5.83 2.37 4.39 -1.39 -3.48 114.58 109.85 3k8e h GLU 207 Ca -0.00 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.32 3k8e h GLU 207 Cb 0.77 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.55 3k8e h GLU 207 CO 0.00 0.03 -0.74 -1.33 -1.16 0.00 0.00 179.01 175.81 3k8e n MET 208 N -3.11 -6.90 -3.71 2.33 2.81 -0.22 -4.82 117.12 103.49 3k8e n MET 208 Ca 0.04 0.80 -0.29 0.00 -1.81 0.00 0.00 57.70 56.43 3k8e n MET 208 Cb 0.54 -5.77 -0.15 0.00 -0.71 0.00 0.00 33.22 27.13 3k8e n MET 208 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3k8e s LEU 209 N -6.85 1.81 0.36 4.03 1.43 -1.05 -5.02 118.68 113.39 3k8e s LEU 209 Ca 0.29 -1.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.04 3k8e s LEU 209 Cb -0.13 -0.75 0.73 0.00 0.03 0.00 0.00 46.19 46.07 3k8e s LEU 209 CO 0.75 -0.39 1.95 -0.08 0.23 0.00 0.00 176.35 178.80 3k8e h GLU 210 N 8.16 0.75 -0.01 1.70 4.81 -1.95 -2.39 114.58 125.65 3k8e h GLU 210 Ca -0.15 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3k8e h GLU 210 Cb 1.04 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 3k8e h GLU 210 CO 0.44 0.50 0.04 -0.56 -0.73 0.00 0.00 179.01 178.69 3k8e h GLN 211 N 0.77 0.00 0.00 1.92 -0.00 -1.97 -1.81 115.11 114.03 3k8e h GLN 211 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.98 3k8e h GLN 211 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 3k8e h GLN 211 CO -0.11 0.00 0.00 -0.07 -0.00 0.00 0.00 178.83 178.65 3k8e h LEU 212 N 0.00 0.00 -1.29 0.06 3.38 -1.82 -2.27 115.31 113.36 3k8e h LEU 212 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3k8e h LEU 212 Cb 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3k8e h LEU 212 CO -0.00 0.00 0.52 -0.09 0.09 0.00 0.00 178.44 178.96 3k8e h ARG 213 N 0.00 0.81 -0.10 1.13 2.43 -1.53 0.93 114.38 118.06 3k8e h ARG 213 Ca 0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3k8e h ARG 213 Cb 0.27 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3k8e h ARG 213 CO 0.00 0.54 0.01 0.28 -1.51 0.00 0.00 179.97 179.29 3k8e h VAL 214 N 0.84 1.23 -0.58 0.20 2.07 -1.62 -2.66 116.25 115.72 3k8e h VAL 214 Ca 0.35 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 3k8e h VAL 214 Cb 0.29 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3k8e h VAL 214 CO -0.13 0.21 0.01 -0.07 0.02 0.00 0.00 177.57 177.61 3k8e h LEU 215 N -0.09 0.98 -1.65 2.57 3.38 -1.59 -1.50 115.31 117.41 3k8e h LEU 215 Ca 0.03 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3k8e h LEU 215 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3k8e h LEU 215 CO 0.00 1.03 0.28 -0.25 0.09 0.00 0.00 178.44 179.60 3k8e h TRP 216 N 0.93 0.44 -0.31 1.13 2.91 -0.72 -0.28 115.95 120.05 3k8e h TRP 216 Ca 0.17 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.20 3k8e h TRP 216 Cb 0.52 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 3k8e h TRP 216 CO 0.03 0.26 0.00 0.66 -1.03 0.00 0.00 178.44 178.36 3k8e n TYR 217 N -4.48 0.41 -0.69 2.65 4.01 -1.01 -4.91 117.16 113.13 3k8e n TYR 217 Ca 0.04 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3k8e n TYR 217 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3k8e n TYR 217 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k8e n GLY 218 N 1.12 0.60 3.87 2.72 0.00 -0.12 -5.05 105.19 108.33 3k8e n GLY 218 Ca 0.14 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 3k8e n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k8e s GLU 219 N -1.08 2.96 -0.05 1.61 0.41 -0.58 -5.02 118.70 116.95 3k8e s GLU 219 Ca 0.00 -1.08 0.01 0.00 -0.41 0.00 0.00 54.97 53.48 3k8e s GLU 219 Cb 0.00 -2.61 -0.03 0.00 -1.78 0.00 0.00 34.13 29.70 3k8e s GLU 219 CO 0.00 0.27 -0.03 0.15 -0.49 0.00 0.00 175.26 175.15 3k8e s LYS 220 N -3.95 2.80 -0.17 1.61 1.02 -1.26 -3.91 119.74 115.87 3k8e s LYS 220 Ca 0.37 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.83 3k8e s LYS 220 Cb -0.08 -2.65 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 3k8e s LYS 220 CO 0.27 0.66 -0.19 0.42 -0.92 0.00 0.00 175.35 175.59 3k8e s ILE 221 N -0.91 1.97 0.11 2.17 1.01 -1.26 -3.65 121.20 120.64 3k8e s ILE 221 Ca 0.15 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.68 3k8e s ILE 221 Cb -0.11 -1.78 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 3k8e s ILE 221 CO 0.04 0.52 0.72 -2.28 0.00 0.00 0.00 174.94 173.95 3k8e s HIS 222 N 1.30 3.84 -0.13 3.97 5.65 -0.61 -1.02 115.29 128.29 3k8e s HIS 222 Ca 0.04 1.50 -0.00 0.00 0.25 0.00 0.00 55.06 56.86 3k8e s HIS 222 Cb -0.13 -2.72 0.03 0.00 -1.18 0.00 0.00 32.58 28.58 3k8e s HIS 222 CO -0.12 0.47 -0.09 0.08 -0.65 0.00 0.00 174.74 174.43 3k8e s VAL 223 N -0.85 1.21 0.08 0.89 1.01 0.14 -0.23 120.40 122.65 3k8e s VAL 223 Ca 0.35 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.91 3k8e s VAL 223 Cb -0.22 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3k8e s VAL 223 CO 0.24 0.36 0.03 0.00 0.00 0.00 0.00 175.10 175.72 3k8e s ALA 224 N 1.63 3.38 0.01 5.51 0.00 -0.97 -4.75 121.76 126.57 3k8e s ALA 224 Ca 0.04 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 3k8e s ALA 224 Cb -0.13 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 3k8e s ALA 224 CO -0.09 0.71 1.28 0.08 0.00 0.00 0.00 175.76 177.75 3k8e s VAL 225 N -1.32 3.93 -0.15 0.00 1.01 -1.26 -1.63 120.40 120.97 3k8e s VAL 225 Ca 0.27 1.33 -0.37 0.00 0.00 0.00 0.00 61.98 63.21 3k8e s VAL 225 Cb -0.12 -3.85 -0.13 0.00 0.00 0.00 0.00 36.38 32.27 3k8e s VAL 225 CO 0.19 0.03 1.80 0.00 0.00 0.00 0.00 175.10 177.12 3k8e n ALA 226 N 4.82 0.42 0.13 5.51 0.00 0.15 -4.81 120.51 126.73 3k8e n ALA 226 Ca 0.11 0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.93 3k8e n ALA 226 Cb 0.45 -2.37 0.20 0.00 0.00 0.00 0.00 19.45 17.73 3k8e n ALA 226 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3k8e n GLN 227 N 5.90 0.05 -3.57 0.00 7.27 -1.26 -4.54 117.38 121.22 3k8e n GLN 227 Ca 0.24 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.78 3k8e n GLN 227 Cb 0.23 -2.06 -0.06 0.00 2.41 0.00 0.00 30.24 30.75 3k8e n GLN 227 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3k8e s GLU 228 N -3.06 0.24 -0.49 3.69 2.12 -1.26 -5.06 118.70 114.87 3k8e s GLU 228 Ca -0.01 0.45 -0.24 0.00 0.36 0.00 0.00 54.97 55.53 3k8e s GLU 228 Cb 0.02 0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.55 3k8e s GLU 228 CO 0.07 -0.06 0.86 0.08 -0.54 0.00 0.00 175.26 175.67 3k8e s VAL 229 N 1.47 4.53 0.65 3.70 1.01 -1.26 -4.93 120.40 125.57 3k8e s VAL 229 Ca -0.07 0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.12 3k8e s VAL 229 Cb -0.03 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 3k8e s VAL 229 CO -0.14 -0.90 1.11 -2.16 0.00 0.00 0.00 175.10 173.02 3k8e s PRO 230 N 3.58 2.85 0.71 2.72 0.04 -1.26 -5.02 135.00 138.62 3k8e s PRO 230 Ca 0.30 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 3k8e s PRO 230 Cb -0.12 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.48 3k8e s PRO 230 CO 0.21 -1.21 1.07 0.20 0.04 0.00 0.00 177.00 177.30 3k8e s GLY 231 N -2.49 1.66 0.55 0.56 0.00 -1.26 -5.01 107.32 101.34 3k8e s GLY 231 Ca 0.68 0.07 -0.20 0.00 0.00 0.00 0.00 44.72 45.26 3k8e s GLY 231 CO 0.40 0.39 1.24 -1.59 0.00 0.00 0.00 173.10 173.54 3k8e s THR 232 N -3.05 2.57 0.99 0.90 2.01 -1.26 -4.94 115.64 112.87 3k8e s THR 232 Ca 0.58 0.39 -0.17 0.00 0.31 0.00 0.00 61.69 62.81 3k8e s THR 232 Cb -0.14 -3.18 0.25 0.00 0.01 0.00 0.00 72.50 69.44 3k8e s THR 232 CO 0.55 -0.05 0.76 0.61 -0.69 0.00 0.00 174.62 175.80 3k8e n GLY 233 N 0.56 -3.14 3.13 4.40 0.00 -1.26 -5.00 105.19 103.87 3k8e n GLY 233 Ca 0.12 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 3k8e n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k8e s VAL 234 N -2.24 3.53 -0.05 1.61 1.01 -0.23 -4.86 120.40 119.18 3k8e s VAL 234 Ca 0.52 -2.25 0.04 0.00 0.00 0.00 0.00 61.98 60.29 3k8e s VAL 234 Cb -0.07 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 3k8e s VAL 234 CO 0.41 -0.75 0.10 0.47 0.00 0.00 0.00 175.10 175.33 3k8e n ASP 235 N 4.35 3.15 -4.30 3.32 8.00 -1.26 -4.86 116.55 124.95 3k8e n ASP 235 Ca -0.00 -0.15 -0.16 0.00 0.71 0.00 0.00 54.79 55.19 3k8e n ASP 235 Cb 0.40 1.13 -0.10 0.00 -0.02 0.00 0.00 41.12 42.53 3k8e n ASP 235 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3k8e s THR 236 N -2.02 1.22 0.42 -3.53 -4.23 -1.26 -4.46 115.64 101.78 3k8e s THR 236 Ca -0.01 -2.07 0.16 0.00 -1.18 0.00 0.00 61.69 58.59 3k8e s THR 236 Cb 0.02 -2.08 0.36 0.00 1.34 0.00 0.00 72.50 72.14 3k8e s THR 236 CO 0.15 -0.55 1.90 -0.65 -0.54 0.00 0.00 174.62 174.93 3k8e h PRO 237 N 2.61 0.42 -0.30 3.99 0.11 -1.98 -1.35 132.00 135.50 3k8e h PRO 237 Ca -0.38 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3k8e h PRO 237 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3k8e h PRO 237 CO 0.64 0.28 0.17 0.93 -0.21 0.00 0.00 178.00 179.80 3k8e h GLU 238 N 0.43 0.43 -0.61 1.05 3.07 -1.99 0.12 114.58 117.08 3k8e h GLU 238 Ca 0.39 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.17 3k8e h GLU 238 Cb 0.90 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.70 3k8e h GLU 238 CO -0.13 0.37 0.26 -0.44 -1.40 0.00 0.00 179.01 177.66 3k8e h ASP 239 N 0.37 0.79 -0.14 1.42 3.32 -1.66 -1.51 116.42 119.01 3k8e h ASP 239 Ca 0.11 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3k8e h ASP 239 Cb 0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3k8e h ASP 239 CO -0.02 0.70 0.01 0.25 -1.72 0.00 0.00 179.24 178.46 3k8e h LEU 240 N 0.86 0.23 -0.75 1.55 5.85 -0.85 -0.74 115.31 121.47 3k8e h LEU 240 Ca 0.21 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.70 3k8e h LEU 240 Cb 0.14 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3k8e h LEU 240 CO -0.02 0.45 0.45 -0.08 -0.34 0.00 0.00 178.44 178.89 3k8e h GLU 241 N -0.00 0.82 0.65 1.25 4.57 -0.54 -0.39 114.58 120.93 3k8e h GLU 241 Ca 0.04 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3k8e h GLU 241 Cb 0.32 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3k8e h GLU 241 CO 0.00 0.54 -0.31 -0.09 -1.18 0.00 0.00 179.01 177.98 3k8e h ARG 242 N 0.84 -0.84 -0.53 1.92 2.43 -1.10 -2.69 114.38 114.41 3k8e h ARG 242 Ca 0.32 0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 3k8e h ARG 242 Cb 0.13 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3k8e h ARG 242 CO -0.16 -0.53 0.35 0.28 -1.51 0.00 0.00 179.97 178.40 3k8e h VAL 243 N -0.94 1.12 -0.72 0.20 2.07 -1.05 -1.29 116.25 115.65 3k8e h VAL 243 Ca -0.09 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3k8e h VAL 243 Cb 0.69 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3k8e h VAL 243 CO 0.15 0.13 0.43 0.03 0.02 0.00 0.00 177.57 178.33 3k8e h ARG 244 N 0.69 0.97 0.00 1.57 3.08 -0.94 -2.69 114.38 117.07 3k8e h ARG 244 Ca 0.20 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3k8e h ARG 244 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3k8e h ARG 244 CO -0.05 0.68 -0.18 0.00 -1.07 0.00 0.00 179.97 179.35 3k8e h ALA 245 N 1.49 0.89 -0.01 0.04 0.00 -0.91 -3.46 119.26 117.29 3k8e h ALA 245 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3k8e h ALA 245 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3k8e h ALA 245 CO -0.05 0.22 0.00 -0.85 0.00 0.00 0.00 179.25 178.58