#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kbw s LEU 14 N 0.00 3.66 0.98 4.31 1.43 -1.26 -5.07 118.68 122.74 1kbw s LEU 14 Ca 0.00 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 1kbw s LEU 14 Cb 0.00 -4.54 0.18 0.00 0.03 0.00 0.00 46.19 41.86 1kbw s LEU 14 CO 0.00 -0.92 1.09 -2.84 0.23 0.00 0.00 176.35 173.90 1kbw s PRO 15 N -3.72 0.54 -0.19 1.29 0.02 -1.26 -4.74 135.00 126.94 1kbw s PRO 15 Ca 0.64 0.67 0.00 0.00 0.02 0.00 0.00 61.00 62.34 1kbw s PRO 15 Cb -0.15 -1.74 0.04 0.00 0.02 0.00 0.00 34.50 32.67 1kbw s PRO 15 CO 0.29 -2.70 -0.09 0.08 -0.33 0.00 0.00 177.00 174.26 1kbw s VAL 16 N -2.89 1.45 -0.09 3.83 1.01 -1.26 -0.79 120.40 121.66 1kbw s VAL 16 Ca 0.65 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1kbw s VAL 16 Cb -0.19 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1kbw s VAL 16 CO 0.58 0.16 -0.21 -0.63 0.00 0.00 0.00 175.10 175.00 1kbw s ILE 17 N 1.48 2.40 0.18 2.22 1.01 -0.11 -4.97 121.20 123.41 1kbw s ILE 17 Ca -0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 1kbw s ILE 17 Cb -0.16 -1.93 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 1kbw s ILE 17 CO -0.08 0.56 1.04 -1.81 0.00 0.00 0.00 174.94 174.65 1kbw s ASP 18 N 0.10 7.38 0.43 3.58 1.01 -1.26 -1.26 116.67 126.65 1kbw s ASP 18 Ca -0.10 2.02 -0.22 0.00 0.71 0.00 0.00 52.55 54.96 1kbw s ASP 18 Cb -0.16 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.07 1kbw s ASP 18 CO 0.06 -0.12 0.97 0.00 0.21 0.00 0.00 175.17 176.29 1kbw s ALA 19 N -0.41 3.02 -0.37 5.23 0.00 -0.38 -4.85 121.76 124.01 1kbw s ALA 19 Ca 0.47 0.47 -0.09 0.00 0.00 0.00 0.00 51.96 52.81 1kbw s ALA 19 Cb -0.28 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.70 1kbw s ALA 19 CO 0.34 0.02 0.18 0.08 0.00 0.00 0.00 175.76 176.38 1kbw s VAL 20 N -2.05 4.28 0.09 0.00 1.01 -1.26 -4.96 120.40 117.51 1kbw s VAL 20 Ca 0.62 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1kbw s VAL 20 Cb -0.12 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1kbw s VAL 20 CO 0.16 -0.26 -0.01 0.42 0.00 0.00 0.00 175.10 175.41 1kbw s THR 21 N 1.49 3.95 0.10 3.92 -4.23 -1.26 -4.59 115.64 115.01 1kbw s THR 21 Ca 0.01 -1.02 0.09 0.00 -1.18 0.00 0.00 61.69 59.59 1kbw s THR 21 Cb -0.20 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.73 1kbw s THR 21 CO 0.05 0.12 -0.22 0.42 -0.54 0.00 0.00 174.62 174.44 1kbw s THR 22 N -1.30 1.84 0.59 3.99 -4.23 -1.12 -4.91 115.64 110.51 1kbw s THR 22 Ca 0.25 -1.55 -0.13 0.00 -1.18 0.00 0.00 61.69 59.09 1kbw s THR 22 Cb -0.12 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 1kbw s THR 22 CO 0.18 0.02 1.02 -1.00 -0.54 0.00 0.00 174.62 174.29 1kbw s HIS 23 N -1.09 3.54 0.27 3.99 3.76 -1.26 -1.50 115.29 123.01 1kbw s HIS 23 Ca 0.08 1.35 -0.26 0.00 -0.15 0.00 0.00 55.06 56.09 1kbw s HIS 23 Cb -0.10 -2.75 -0.09 0.00 1.11 0.00 0.00 32.58 30.75 1kbw s HIS 23 CO 0.04 -0.63 0.88 0.00 -0.85 0.00 0.00 174.74 174.19 1kbw s ALA 24 N -3.00 3.30 0.00 -1.40 0.00 -1.26 -2.78 121.76 116.63 1kbw s ALA 24 Ca 0.56 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1kbw s ALA 24 Cb -0.11 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1kbw s ALA 24 CO 0.47 0.22 0.00 -2.30 0.00 0.00 0.00 175.76 174.15 1kbw n PRO 25 N 0.91 0.00 -2.60 0.00 -0.02 -1.25 -5.03 135.00 127.01 1kbw n PRO 25 Ca -0.01 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 1kbw n PRO 25 Cb 0.49 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.93 1kbw n PRO 25 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1kbw s GLU 26 N 0.00 4.27 0.01 -0.52 2.02 -1.12 0.24 118.70 123.61 1kbw s GLU 26 Ca 0.00 1.48 0.07 0.00 0.02 0.00 0.00 54.97 56.54 1kbw s GLU 26 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 1kbw s GLU 26 CO 0.00 -0.04 -0.21 0.08 0.02 0.00 0.00 175.26 175.11 1kbw s VAL 27 N -1.64 2.54 0.88 2.63 1.01 -1.26 -4.54 120.40 120.02 1kbw s VAL 27 Ca 0.56 -1.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1kbw s VAL 27 Cb -0.21 -2.00 0.12 0.00 0.00 0.00 0.00 36.38 34.29 1kbw s VAL 27 CO 0.27 0.44 1.12 -2.84 0.00 0.00 0.00 175.10 174.09 1kbw s PRO 28 N -1.09 1.34 0.59 2.72 0.02 -1.26 -4.95 135.00 132.38 1kbw s PRO 28 Ca 0.12 1.32 -0.20 0.00 0.02 0.00 0.00 61.00 62.27 1kbw s PRO 28 Cb -0.10 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 1kbw s PRO 28 CO 0.02 -2.33 1.20 -2.30 -0.33 0.00 0.00 177.00 173.26 1kbw n PRO 29 N -4.01 1.23 -1.96 5.54 -0.02 -1.26 -4.93 135.00 129.59 1kbw n PRO 29 Ca 0.10 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 1kbw n PRO 29 Cb 0.53 -2.41 0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1kbw n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kbw s ALA 30 N -1.39 2.77 -0.23 3.55 0.00 -1.26 -4.89 121.76 120.30 1kbw s ALA 30 Ca 0.76 1.15 -0.29 0.00 0.00 0.00 0.00 51.96 53.58 1kbw s ALA 30 Cb -0.41 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1kbw s ALA 30 CO 0.46 -1.15 1.69 0.42 0.00 0.00 0.00 175.76 177.18 1kbw s ILE 31 N -1.44 3.59 -0.74 0.00 -1.09 -1.26 -4.91 121.20 115.36 1kbw s ILE 31 Ca 0.72 0.66 0.01 0.00 -2.23 0.00 0.00 60.65 59.80 1kbw s ILE 31 Cb -0.35 -3.64 0.36 0.00 -1.58 0.00 0.00 42.46 37.26 1kbw s ILE 31 CO 0.40 -0.30 1.66 0.47 -1.23 0.00 0.00 174.94 175.94 1kbw n ASP 32 N 8.91 6.48 -3.79 3.58 8.00 -1.26 -4.95 116.55 133.51 1kbw n ASP 32 Ca 0.20 -3.77 -0.13 0.00 0.71 0.00 0.00 54.79 51.80 1kbw n ASP 32 Cb 0.45 -0.87 -0.10 0.00 -0.02 0.00 0.00 41.12 40.58 1kbw n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kbw s ARG 33 N -3.92 0.50 -0.29 -1.24 1.70 -1.26 -5.07 118.95 109.38 1kbw s ARG 33 Ca 0.49 -0.03 0.07 0.00 -0.47 0.00 0.00 55.73 55.80 1kbw s ARG 33 Cb 0.38 0.22 0.46 0.00 -0.57 0.00 0.00 34.95 35.45 1kbw s ARG 33 CO -0.29 -0.11 1.19 -0.40 -1.08 0.00 0.00 175.30 174.60 1kbw n ASP 34 N 1.92 4.84 -3.81 -2.89 5.75 -1.26 -5.01 116.55 116.09 1kbw n ASP 34 Ca -0.19 -3.71 -0.12 0.00 -0.01 0.00 0.00 54.79 50.76 1kbw n ASP 34 Cb 0.57 -0.34 -0.09 0.00 -1.03 0.00 0.00 41.12 40.22 1kbw n ASP 34 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1kbw s TYR 35 N -3.60 -0.08 0.70 2.11 -0.85 -1.26 -5.16 117.35 109.21 1kbw s TYR 35 Ca 0.50 0.09 -0.15 0.00 -0.52 0.00 0.00 57.07 56.99 1kbw s TYR 35 Cb 0.41 0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.80 1kbw s TYR 35 CO 0.04 -0.33 1.17 -2.14 -1.52 0.00 0.00 175.55 172.76 1kbw s PRO 36 N -1.31 2.44 0.20 -3.49 0.02 -1.26 -5.02 135.00 126.58 1kbw s PRO 36 Ca -0.14 1.61 -0.15 0.00 0.02 0.00 0.00 61.00 62.34 1kbw s PRO 36 Cb -0.06 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.59 1kbw s PRO 36 CO 0.03 -1.58 0.48 0.00 -0.33 0.00 0.00 177.00 175.61 1kbw s ALA 37 N -2.11 -0.67 -0.35 -1.55 0.00 -1.26 -4.49 121.76 111.33 1kbw s ALA 37 Ca 0.71 -0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 1kbw s ALA 37 Cb -0.26 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1kbw s ALA 37 CO 0.43 -0.80 0.26 0.21 0.00 0.00 0.00 175.76 175.86 1kbw s LYS 38 N -3.92 3.42 -0.35 0.00 2.20 0.03 -1.31 119.74 119.82 1kbw s LYS 38 Ca 0.13 -0.69 -0.13 0.00 -0.36 0.00 0.00 55.97 54.92 1kbw s LYS 38 Cb -0.00 -3.83 -0.01 0.00 -1.51 0.00 0.00 37.83 32.47 1kbw s LYS 38 CO 0.00 -0.49 0.24 0.08 -0.36 0.00 0.00 175.35 174.82 1kbw s VAL 39 N 1.73 5.23 -0.22 4.02 1.01 0.82 -0.93 120.40 132.06 1kbw s VAL 39 Ca 0.06 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 1kbw s VAL 39 Cb -0.18 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1kbw s VAL 39 CO 0.11 -0.05 0.86 -0.13 0.00 0.00 0.00 175.10 175.88 1kbw s ARG 40 N 1.71 4.22 -0.08 2.72 0.52 -0.39 -0.95 118.95 126.70 1kbw s ARG 40 Ca 0.06 1.02 0.04 0.00 -0.52 0.00 0.00 55.73 56.33 1kbw s ARG 40 Cb -0.18 -3.63 -0.01 0.00 0.52 0.00 0.00 34.95 31.66 1kbw s ARG 40 CO 0.10 -0.49 -0.22 0.08 0.02 0.00 0.00 175.30 174.80 1kbw s VAL 41 N 2.72 2.32 -0.19 3.52 1.01 0.36 -1.24 120.40 128.90 1kbw s VAL 41 Ca 0.37 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1kbw s VAL 41 Cb -0.16 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1kbw s VAL 41 CO 0.08 0.56 -0.04 -0.54 0.00 0.00 0.00 175.10 175.17 1kbw s LYS 42 N 0.03 3.50 -0.01 2.72 1.02 -1.26 -0.70 119.74 125.04 1kbw s LYS 42 Ca -0.08 -0.58 0.05 0.00 0.02 0.00 0.00 55.97 55.37 1kbw s LYS 42 Cb -0.15 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1kbw s LYS 42 CO 0.05 -0.02 -0.15 -1.64 -0.92 0.00 0.00 175.35 172.67 1kbw s MET 43 N 1.04 1.23 -0.03 1.68 -1.94 -0.31 -4.97 119.30 116.00 1kbw s MET 43 Ca 0.01 -0.56 0.03 0.00 -1.71 0.00 0.00 55.69 53.46 1kbw s MET 43 Cb -0.15 -1.19 -0.00 0.00 2.01 0.00 0.00 34.83 35.50 1kbw s MET 43 CO 0.00 0.33 -0.12 -2.00 -0.01 0.00 0.00 175.02 173.22 1kbw s GLU 44 N -0.41 1.18 -0.24 2.03 2.12 -1.26 -0.29 118.70 121.84 1kbw s GLU 44 Ca 0.06 -0.42 -0.08 0.00 0.36 0.00 0.00 54.97 54.88 1kbw s GLU 44 Cb -0.06 -1.08 -0.04 0.00 0.26 0.00 0.00 34.13 33.21 1kbw s GLU 44 CO -0.00 0.19 0.10 0.95 -0.54 0.00 0.00 175.26 175.96 1kbw s THR 45 N 0.02 4.76 -0.02 -1.70 -4.23 0.52 0.49 115.64 115.47 1kbw s THR 45 Ca -0.01 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.50 1kbw s THR 45 Cb -0.08 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1kbw s THR 45 CO 0.01 0.35 -0.09 0.54 -0.54 0.00 0.00 174.62 174.88 1kbw s VAL 46 N 1.28 0.78 -0.16 2.29 0.11 -0.61 -1.38 120.40 122.72 1kbw s VAL 46 Ca 0.06 -0.37 -0.14 0.00 -2.93 0.00 0.00 61.98 58.60 1kbw s VAL 46 Cb -0.14 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1kbw s VAL 46 CO 0.05 0.24 0.31 -1.61 -3.33 0.00 0.00 175.10 170.75 1kbw s GLU 47 N 0.14 4.25 -0.02 1.54 2.02 -1.26 -1.33 118.70 124.04 1kbw s GLU 47 Ca -0.02 0.12 -0.23 0.00 0.02 0.00 0.00 54.97 54.86 1kbw s GLU 47 Cb -0.08 -3.42 0.05 0.00 0.10 0.00 0.00 34.13 30.78 1kbw s GLU 47 CO 0.00 0.24 0.50 -1.59 0.02 0.00 0.00 175.26 174.43 1kbw s LYS 48 N 0.45 0.89 -0.10 1.61 -2.85 -0.21 -4.95 119.74 114.57 1kbw s LYS 48 Ca 0.17 -0.01 -0.20 0.00 -1.00 0.00 0.00 55.97 54.94 1kbw s LYS 48 Cb -0.13 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 1kbw s LYS 48 CO 0.04 -0.27 0.54 0.99 0.10 0.00 0.00 175.35 176.75 1kbw s THR 49 N -1.44 5.14 0.27 3.79 2.01 -1.26 -1.00 115.64 123.14 1kbw s THR 49 Ca -0.11 1.08 0.03 0.00 0.31 0.00 0.00 61.69 63.00 1kbw s THR 49 Cb -0.02 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1kbw s THR 49 CO 0.06 0.31 0.20 -0.04 -0.69 0.00 0.00 174.62 174.46 1kbw s MET 50 N 0.61 1.48 -0.17 4.92 -1.94 -0.66 -4.96 119.30 118.59 1kbw s MET 50 Ca 0.29 -1.83 -0.25 0.00 -1.71 0.00 0.00 55.69 52.19 1kbw s MET 50 Cb -0.16 0.25 -0.02 0.00 2.01 0.00 0.00 34.83 36.91 1kbw s MET 50 CO 0.13 -0.51 0.83 0.21 -0.01 0.00 0.00 175.02 175.67 1kbw s LYS 51 N -3.82 4.30 -0.10 2.03 2.20 -1.26 -0.98 119.74 122.11 1kbw s LYS 51 Ca 0.39 1.01 -0.10 0.00 -0.36 0.00 0.00 55.97 56.91 1kbw s LYS 51 Cb 0.05 -3.57 -0.28 0.00 -1.51 0.00 0.00 37.83 32.52 1kbw s LYS 51 CO 0.19 -0.32 0.49 1.98 -0.36 0.00 0.00 175.35 177.34 1kbw h MET 52 N 7.32 0.30 -3.59 4.03 1.85 -0.60 -3.45 114.93 120.78 1kbw h MET 52 Ca -0.30 -0.51 -0.12 0.00 -0.61 0.00 0.00 59.70 58.17 1kbw h MET 52 Cb 1.13 0.19 -0.06 0.00 0.43 0.00 0.00 31.60 33.30 1kbw h MET 52 CO 0.83 1.24 -0.00 0.34 -0.40 0.00 0.00 176.91 178.92 1kbw s ASP 53 N -7.13 0.30 0.04 1.39 3.68 -1.11 -0.58 116.67 113.27 1kbw s ASP 53 Ca -0.20 -1.18 -0.33 0.00 2.13 0.00 0.00 52.55 52.97 1kbw s ASP 53 Cb 0.06 0.71 -0.12 0.00 -1.45 0.00 0.00 42.92 42.12 1kbw s ASP 53 CO 0.79 -1.38 1.81 -0.67 0.13 0.00 0.00 175.17 175.85 1kbw n ASP 54 N -1.08 3.61 0.00 -0.34 -0.08 -1.26 -0.85 116.55 116.55 1kbw n ASP 54 Ca -0.03 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.25 1kbw n ASP 54 Cb 0.61 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.62 1kbw n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kbw n GLY 55 N 4.15 0.40 3.24 0.27 0.00 -1.26 -4.96 105.19 107.03 1kbw n GLY 55 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1kbw n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kbw s VAL 56 N -2.11 2.75 0.15 1.61 1.01 -0.03 -1.02 120.40 122.75 1kbw s VAL 56 Ca 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.33 1kbw s VAL 56 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1kbw s VAL 56 CO 0.00 0.49 -0.02 -1.61 0.00 0.00 0.00 175.10 173.96 1kbw s GLU 57 N 1.14 2.38 -0.01 2.72 2.02 -0.43 0.16 118.70 126.68 1kbw s GLU 57 Ca 0.01 -1.05 -0.04 0.00 0.02 0.00 0.00 54.97 53.92 1kbw s GLU 57 Cb -0.14 -2.38 -0.00 0.00 0.10 0.00 0.00 34.13 31.71 1kbw s GLU 57 CO -0.05 0.48 0.07 -0.47 0.02 0.00 0.00 175.26 175.32 1kbw s TYR 58 N -1.56 0.04 -0.93 1.61 5.04 -0.16 -0.83 117.35 120.57 1kbw s TYR 58 Ca 0.26 -0.08 -0.18 0.00 -2.44 0.00 0.00 57.07 54.62 1kbw s TYR 58 Cb -0.10 -0.05 0.14 0.00 0.35 0.00 0.00 41.96 42.29 1kbw s TYR 58 CO 0.18 -0.16 1.11 0.50 -1.34 0.00 0.00 175.55 175.84 1kbw s ARG 59 N -0.79 3.60 0.37 4.97 6.06 -1.26 -1.65 118.95 130.25 1kbw s ARG 59 Ca -0.09 -1.80 -0.24 0.00 -2.50 0.00 0.00 55.73 51.10 1kbw s ARG 59 Cb -0.05 -4.90 -0.10 0.00 0.06 0.00 0.00 34.95 29.96 1kbw s ARG 59 CO 0.00 -1.75 0.98 0.71 -2.50 0.00 0.00 175.30 172.74 1kbw s TYR 60 N 2.56 3.49 -0.27 5.12 1.51 -0.17 -4.88 117.35 124.71 1kbw s TYR 60 Ca 0.32 1.71 -0.05 0.00 -1.01 0.00 0.00 57.07 58.04 1kbw s TYR 60 Cb -0.05 -2.96 0.01 0.00 -0.11 0.00 0.00 41.96 38.85 1kbw s TYR 60 CO -0.09 -0.10 0.02 -1.58 -1.11 0.00 0.00 175.55 172.69 1kbw s TRP 61 N -1.75 3.10 0.34 2.71 0.51 -0.28 -1.05 118.94 122.52 1kbw s TRP 61 Ca 0.55 -1.18 0.07 0.00 -2.12 0.00 0.00 56.10 53.42 1kbw s TRP 61 Cb -0.17 -2.17 -0.07 0.00 -0.81 0.00 0.00 33.47 30.25 1kbw s TRP 61 CO 0.22 -0.63 -0.03 0.95 -0.51 0.00 0.00 176.95 176.95 1kbw s THR 62 N 1.43 1.85 -0.38 2.01 -4.23 -0.44 -2.71 115.64 113.17 1kbw s THR 62 Ca 0.02 -2.10 -0.09 0.00 -1.18 0.00 0.00 61.69 58.34 1kbw s THR 62 Cb -0.17 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.02 1kbw s THR 62 CO -0.01 -0.15 0.19 -0.36 -0.54 0.00 0.00 174.62 173.76 1kbw s PHE 63 N -2.85 3.28 -1.11 3.99 0.08 -1.25 -1.57 117.98 118.54 1kbw s PHE 63 Ca 0.33 -1.29 -0.01 0.00 0.12 0.00 0.00 56.93 56.08 1kbw s PHE 63 Cb 0.06 -2.55 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1kbw s PHE 63 CO 0.15 -0.74 0.13 -0.25 -0.10 0.00 0.00 175.22 174.41 1kbw n ASP 64 N 4.92 -4.29 0.00 1.36 9.92 0.18 -4.01 116.55 124.63 1kbw n ASP 64 Ca -0.11 -0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1kbw n ASP 64 Cb 0.45 -3.37 0.00 0.00 -0.64 0.00 0.00 41.12 37.56 1kbw n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kbw n GLY 65 N -1.09 0.78 3.82 0.44 0.00 -1.26 -4.96 105.19 102.93 1kbw n GLY 65 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1kbw n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kbw s ASP 66 N -2.74 -0.01 -0.13 1.61 -1.08 -1.26 -5.03 116.67 108.04 1kbw s ASP 66 Ca 0.00 -1.04 0.03 0.00 -0.52 0.00 0.00 52.55 51.01 1kbw s ASP 66 Cb 0.00 0.79 0.01 0.00 -1.46 0.00 0.00 42.92 42.26 1kbw s ASP 66 CO 0.00 -1.56 -0.22 -0.69 0.52 0.00 0.00 175.17 173.21 1kbw s VAL 67 N -2.37 2.08 0.70 1.11 1.01 -1.26 -3.93 120.40 117.74 1kbw s VAL 67 Ca 0.16 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1kbw s VAL 67 Cb -0.05 -1.82 0.16 0.00 0.00 0.00 0.00 36.38 34.67 1kbw s VAL 67 CO 0.10 0.55 0.96 -0.81 0.00 0.00 0.00 175.10 175.90 1kbw n PRO 68 N 3.91 -0.79 -1.10 2.72 -0.04 -1.26 -3.13 135.00 135.31 1kbw n PRO 68 Ca -0.20 -1.64 -0.30 0.00 -0.04 0.00 0.00 63.50 61.32 1kbw n PRO 68 Cb 0.52 -0.94 0.25 0.00 -0.04 0.00 0.00 33.50 33.30 1kbw n PRO 68 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1kbw s GLY 69 N -5.05 1.60 0.27 0.55 0.00 -0.62 -4.68 107.32 99.39 1kbw s GLY 69 Ca 0.56 -1.09 -0.29 0.00 0.00 0.00 0.00 44.72 43.89 1kbw s GLY 69 CO 0.39 -0.15 1.17 0.50 0.00 0.00 0.00 173.10 175.00 1kbw s ARG 70 N -5.53 4.55 0.22 2.90 0.52 -1.26 -4.64 118.95 115.70 1kbw s ARG 70 Ca 0.72 1.90 -0.30 0.00 -0.52 0.00 0.00 55.73 57.54 1kbw s ARG 70 Cb -0.07 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 32.14 1kbw s ARG 70 CO 0.56 0.06 1.09 1.41 0.02 0.00 0.00 175.30 178.43 1kbw s MET 71 N -1.21 4.63 -0.09 3.54 -2.45 -0.56 -4.62 119.30 118.54 1kbw s MET 71 Ca 0.47 1.73 -0.00 0.00 -1.25 0.00 0.00 55.69 56.65 1kbw s MET 71 Cb -0.34 -3.25 -0.03 0.00 1.25 0.00 0.00 34.83 32.47 1kbw s MET 71 CO 0.42 0.15 -0.08 0.42 1.05 0.00 0.00 175.02 176.99 1kbw s ILE 72 N -0.62 3.60 -0.18 10.11 1.01 -0.90 -2.79 121.20 131.43 1kbw s ILE 72 Ca 0.47 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 1kbw s ILE 72 Cb -0.30 -2.50 0.04 0.00 0.01 0.00 0.00 42.46 39.72 1kbw s ILE 72 CO 0.37 0.57 -0.05 -0.60 0.00 0.00 0.00 174.94 175.22 1kbw s ARG 73 N -0.39 1.46 0.40 2.79 3.52 -1.26 0.51 118.95 125.98 1kbw s ARG 73 Ca 0.05 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 55.12 1kbw s ARG 73 Cb -0.12 -2.10 -0.02 0.00 -1.56 0.00 0.00 34.95 31.15 1kbw s ARG 73 CO 0.02 -0.46 0.16 1.33 -0.81 0.00 0.00 175.30 175.55 1kbw n VAL 74 N 4.85 0.00 -4.73 7.11 0.24 -0.35 -4.90 118.33 120.55 1kbw n VAL 74 Ca -0.12 -2.40 -0.32 0.00 -2.04 0.00 0.00 64.34 59.45 1kbw n VAL 74 Cb 0.47 0.91 -0.12 0.00 -1.47 0.00 0.00 33.84 33.63 1kbw n VAL 74 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1kbw s ARG 75 N -3.54 2.46 -0.02 7.34 3.52 -1.26 -0.64 118.95 126.81 1kbw s ARG 75 Ca 0.23 -0.74 -0.37 0.00 -0.13 0.00 0.00 55.73 54.72 1kbw s ARG 75 Cb 0.01 -2.39 -0.16 0.00 -1.56 0.00 0.00 34.95 30.85 1kbw s ARG 75 CO 0.16 0.61 1.51 -1.91 -0.81 0.00 0.00 175.30 174.86 1kbw n GLU 76 N 2.00 1.32 0.00 5.12 2.13 0.94 -0.77 120.64 131.38 1kbw n GLU 76 Ca -0.17 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.13 1kbw n GLU 76 Cb 0.52 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.07 1kbw n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kbw n GLY 77 N 3.19 2.08 3.77 8.31 0.00 0.60 -4.71 105.19 118.43 1kbw n GLY 77 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1kbw n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kbw s ASP 78 N -1.47 4.80 -0.21 1.61 -0.00 0.05 -4.72 116.67 116.72 1kbw s ASP 78 Ca 0.00 1.91 -0.06 0.00 -0.00 0.00 0.00 52.55 54.40 1kbw s ASP 78 Cb 0.00 -2.54 -0.03 0.00 -0.00 0.00 0.00 42.92 40.35 1kbw s ASP 78 CO 0.00 -1.84 0.04 -0.89 -0.00 0.00 0.00 175.17 172.48 1kbw s THR 79 N -2.63 4.32 -0.35 -1.27 2.01 -0.43 -0.85 115.64 116.45 1kbw s THR 79 Ca 0.64 -0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 1kbw s THR 79 Cb -0.19 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.36 1kbw s THR 79 CO 0.49 0.40 0.21 -0.69 -0.69 0.00 0.00 174.62 174.34 1kbw s VAL 80 N 1.03 4.80 -0.31 3.82 1.01 0.77 -0.13 120.40 131.39 1kbw s VAL 80 Ca 0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1kbw s VAL 80 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1kbw s VAL 80 CO 0.03 -0.10 0.21 -0.70 0.00 0.00 0.00 175.10 174.54 1kbw s GLU 81 N 1.62 3.68 -0.21 2.72 2.12 -0.12 -1.80 118.70 126.71 1kbw s GLU 81 Ca 0.04 -0.51 -0.07 0.00 0.36 0.00 0.00 54.97 54.79 1kbw s GLU 81 Cb -0.18 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 1kbw s GLU 81 CO 0.08 -0.33 0.05 0.08 -0.54 0.00 0.00 175.26 174.60 1kbw s VAL 82 N 1.73 4.43 -0.45 3.70 1.01 0.66 -0.49 120.40 131.00 1kbw s VAL 82 Ca 0.06 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 1kbw s VAL 82 Cb -0.17 -3.02 0.08 0.00 0.00 0.00 0.00 36.38 33.26 1kbw s VAL 82 CO 0.10 0.41 0.34 -0.70 0.00 0.00 0.00 175.10 175.25 1kbw s GLU 83 N 0.97 2.81 -0.31 2.72 2.12 0.12 -1.99 118.70 125.14 1kbw s GLU 83 Ca 0.03 -1.40 -0.11 0.00 0.36 0.00 0.00 54.97 53.85 1kbw s GLU 83 Cb -0.14 -3.98 -0.02 0.00 0.26 0.00 0.00 34.13 30.25 1kbw s GLU 83 CO 0.03 -1.00 0.20 0.12 -0.54 0.00 0.00 175.26 174.07 1kbw s PHE 84 N 1.55 3.21 -0.11 5.30 5.36 0.17 -1.16 117.98 132.30 1kbw s PHE 84 Ca 0.04 -0.22 0.03 0.00 -0.96 0.00 0.00 56.93 55.82 1kbw s PHE 84 Cb -0.24 -2.41 -0.01 0.00 -0.34 0.00 0.00 43.02 40.02 1kbw s PHE 84 CO 0.05 -0.33 -0.19 -1.12 -1.46 0.00 0.00 175.22 172.16 1kbw s SER 85 N 1.70 3.48 -0.35 6.13 0.01 0.61 0.96 113.70 126.24 1kbw s SER 85 Ca 0.06 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 56.74 1kbw s SER 85 Cb -0.17 -1.41 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 1kbw s SER 85 CO 0.09 0.18 0.24 0.21 0.41 0.00 0.00 173.24 174.37 1kbw s ASN 86 N 0.25 6.00 0.28 2.44 2.47 -0.61 -0.36 114.94 125.41 1kbw s ASN 86 Ca -0.13 -0.56 -0.27 0.00 0.42 0.00 0.00 52.86 52.31 1kbw s ASN 86 Cb -0.17 -2.12 -0.15 0.00 -1.45 0.00 0.00 41.25 37.37 1kbw s ASN 86 CO 0.07 -0.28 0.84 -3.20 -3.72 0.00 0.00 177.10 170.81 1kbw n ASN 87 N 5.10 0.44 -0.11 -4.21 5.15 -0.48 -0.19 115.26 120.96 1kbw n ASN 87 Ca -0.12 1.14 0.24 0.00 -0.60 0.00 0.00 54.58 55.24 1kbw n ASN 87 Cb 0.49 -1.19 0.69 0.00 -0.53 0.00 0.00 39.78 39.25 1kbw n ASN 87 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1kbw h PRO 88 N 1.61 0.03 -0.00 1.20 0.11 -1.90 -1.35 132.00 131.71 1kbw h PRO 88 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1kbw h PRO 88 Cb 1.37 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1kbw h PRO 88 CO 0.59 0.02 -0.14 -1.13 -0.21 0.00 0.00 178.00 177.13 1kbw n SER 89 N -4.33 0.34 -4.75 -2.05 3.41 -1.26 -4.44 113.62 100.55 1kbw n SER 89 Ca 0.15 -0.27 -0.38 0.00 -0.26 0.00 0.00 58.87 58.12 1kbw n SER 89 Cb 0.80 -0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.66 1kbw n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1kbw s SER 90 N -2.67 5.17 0.00 4.04 0.01 -0.51 -4.93 113.70 114.80 1kbw s SER 90 Ca 0.23 2.65 0.22 0.00 1.31 0.00 0.00 55.95 60.36 1kbw s SER 90 Cb 0.19 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 1kbw s SER 90 CO 0.52 -1.63 1.04 0.35 0.41 0.00 0.00 173.24 173.94 1kbw n THR 91 N -1.26 0.00 -4.02 1.44 -2.24 -1.26 -4.74 114.28 102.19 1kbw n THR 91 Ca 0.12 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1kbw n THR 91 Cb 0.47 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 1kbw n THR 91 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1kbw s VAL 92 N -2.69 0.08 0.82 2.28 -7.23 -1.26 -5.04 120.40 107.35 1kbw s VAL 92 Ca 0.14 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 1kbw s VAL 92 Cb 0.17 -1.89 0.08 0.00 0.56 0.00 0.00 36.38 35.30 1kbw s VAL 92 CO 0.69 -0.37 1.09 -2.84 -0.31 0.00 0.00 175.10 173.36 1kbw s PRO 93 N -3.99 1.88 0.02 4.82 0.02 -1.26 -4.44 135.00 132.05 1kbw s PRO 93 Ca 0.19 0.83 -0.13 0.00 0.02 0.00 0.00 61.00 61.92 1kbw s PRO 93 Cb 0.05 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.70 1kbw s PRO 93 CO 0.00 -1.81 0.27 -1.01 -0.33 0.00 0.00 177.00 174.12 1kbw s HIS 94 N -3.02 -0.08 0.00 6.54 3.76 -0.87 -4.92 115.29 116.70 1kbw s HIS 94 Ca 0.62 0.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 1kbw s HIS 94 Cb -0.16 0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.58 1kbw s HIS 94 CO 0.56 -0.43 0.00 0.27 -0.85 0.00 0.00 174.74 174.28 1kbw n ASN 95 N 0.90 0.00 -3.77 1.40 6.94 -1.26 -0.63 115.26 118.85 1kbw n ASN 95 Ca -0.20 -0.88 -0.13 0.00 -0.02 0.00 0.00 54.58 53.35 1kbw n ASN 95 Cb 0.58 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.87 1kbw n ASN 95 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1kbw s VAL 96 N -2.52 -0.02 -0.27 3.53 0.11 -1.26 -4.11 120.40 115.86 1kbw s VAL 96 Ca 0.00 0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 1kbw s VAL 96 Cb 0.00 -0.31 0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1kbw s VAL 96 CO 0.00 0.03 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.15 1kbw s ASP 97 N 0.71 4.58 -0.25 3.54 3.68 0.10 -1.87 116.67 127.15 1kbw s ASP 97 Ca -0.05 -1.09 -0.15 0.00 2.13 0.00 0.00 52.55 53.39 1kbw s ASP 97 Cb -0.06 -1.68 -0.04 0.00 -1.45 0.00 0.00 42.92 39.69 1kbw s ASP 97 CO -0.04 -0.19 0.38 -0.36 0.13 0.00 0.00 175.17 175.09 1kbw s PHE 98 N 1.28 3.28 -0.95 -5.34 0.40 0.39 -1.43 117.98 115.60 1kbw s PHE 98 Ca -0.03 0.47 0.13 0.00 -0.60 0.00 0.00 56.93 56.91 1kbw s PHE 98 Cb -0.18 -2.57 0.58 0.00 0.51 0.00 0.00 43.02 41.36 1kbw s PHE 98 CO -0.03 -0.18 1.43 0.72 0.70 0.00 0.00 175.22 177.86 1kbw n HIS 99 N 5.13 0.07 0.76 0.36 8.25 -0.48 -1.47 115.22 127.85 1kbw n HIS 99 Ca -0.08 0.03 0.12 0.00 -0.26 0.00 0.00 57.72 57.53 1kbw n HIS 99 Cb 0.51 -0.55 0.26 0.00 1.12 0.00 0.00 29.99 31.33 1kbw n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kbw n ALA 100 N -1.53 3.03 -2.67 -1.41 0.00 -1.26 -4.88 120.51 111.79 1kbw n ALA 100 Ca 0.03 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 52.84 1kbw n ALA 100 Cb 0.15 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1kbw n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kbw s ALA 101 N -3.09 3.78 -0.29 0.00 0.00 -0.54 -4.49 121.76 117.13 1kbw s ALA 101 Ca 0.09 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1kbw s ALA 101 Cb 0.15 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1kbw s ALA 101 CO 0.69 0.55 0.14 0.99 0.00 0.00 0.00 175.76 178.13 1kbw s THR 102 N -1.06 4.71 0.00 0.00 2.01 -1.26 -4.59 115.64 115.45 1kbw s THR 102 Ca 0.20 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1kbw s THR 102 Cb -0.15 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1kbw s THR 102 CO 0.09 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 1kbw n GLY 103 N 4.99 3.13 1.14 4.40 0.00 -1.26 -4.95 105.19 112.64 1kbw n GLY 103 Ca -0.14 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 1kbw n GLY 103 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1kbw n GLN 104 N -1.94 0.00 -1.46 1.61 -0.06 -1.26 0.05 117.38 114.32 1kbw n GLN 104 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 1kbw n GLN 104 Cb 0.00 -0.51 -0.02 0.00 -4.06 0.00 0.00 30.24 25.65 1kbw n GLN 104 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1kbw n GLY 105 N 2.21 0.35 2.43 1.69 0.00 -1.26 -0.81 105.19 109.80 1kbw n GLY 105 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1kbw n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbw n GLY 106 N -0.23 0.40 0.00 -0.02 0.00 0.11 -2.06 105.19 103.38 1kbw n GLY 106 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1kbw n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbw n GLY 107 N -0.88 0.47 0.24 -0.02 0.00 0.01 -0.46 105.19 104.55 1kbw n GLY 107 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 1kbw n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbw h ALA 108 N 0.00 0.82 -0.10 4.61 0.00 -0.78 -0.86 119.26 122.96 1kbw h ALA 108 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1kbw h ALA 108 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1kbw h ALA 108 CO 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 179.25 179.26 1kbw h ALA 109 N 1.34 0.13 0.00 0.00 0.00 -1.84 -2.74 119.26 116.15 1kbw h ALA 109 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1kbw h ALA 109 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1kbw h ALA 109 CO -0.19 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 178.82 1kbw h ALA 110 N 0.81 1.00 -0.39 0.00 0.00 -1.84 -3.16 119.26 115.69 1kbw h ALA 110 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kbw h ALA 110 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1kbw h ALA 110 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1kbw n THR 111 N -2.74 1.15 -1.70 0.00 -2.24 -0.34 -4.60 114.28 103.81 1kbw n THR 111 Ca 0.01 -1.09 -0.42 0.00 -2.27 0.00 0.00 64.05 60.28 1kbw n THR 111 Cb 0.27 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 1kbw n THR 111 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1kbw s PHE 112 N -1.19 1.31 -0.17 4.78 5.36 -1.04 -4.17 117.98 122.85 1kbw s PHE 112 Ca 0.29 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 56.91 1kbw s PHE 112 Cb 0.16 -3.95 0.03 0.00 -0.34 0.00 0.00 43.02 38.93 1kbw s PHE 112 CO 0.17 -3.68 -0.11 0.99 -1.46 0.00 0.00 175.22 171.13 1kbw s THR 113 N 8.34 1.51 0.83 0.12 2.01 0.20 -4.95 115.64 123.71 1kbw s THR 113 Ca 0.95 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 1kbw s THR 113 Cb -0.29 -1.51 0.09 0.00 0.01 0.00 0.00 72.50 70.80 1kbw s THR 113 CO 0.34 0.31 1.09 0.00 -0.69 0.00 0.00 174.62 175.67 1kbw s ALA 114 N 1.48 1.94 0.49 7.40 0.00 -1.26 -2.06 121.76 129.75 1kbw s ALA 114 Ca 0.02 -0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.72 1kbw s ALA 114 Cb -0.14 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 1kbw s ALA 114 CO -0.09 -2.01 1.28 -2.30 0.00 0.00 0.00 175.76 172.64 1kbw n PRO 115 N -3.65 1.75 -0.92 0.00 -0.02 -1.26 -2.24 135.00 128.65 1kbw n PRO 115 Ca 0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1kbw n PRO 115 Cb 0.55 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1kbw n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kbw n GLY 116 N 0.83 0.41 3.63 -1.23 0.00 0.73 -4.85 105.19 104.71 1kbw n GLY 116 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1kbw n GLY 116 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kbw s ARG 117 N -0.66 2.11 -0.03 1.61 3.52 -0.95 -4.89 118.95 119.67 1kbw s ARG 117 Ca 0.00 -1.65 0.03 0.00 -0.13 0.00 0.00 55.73 53.98 1kbw s ARG 117 Cb 0.00 -1.99 0.00 0.00 -1.56 0.00 0.00 34.95 31.40 1kbw s ARG 117 CO 0.00 0.21 -0.12 0.99 -0.81 0.00 0.00 175.30 175.57 1kbw s THR 118 N -2.46 1.02 0.18 4.11 2.01 -1.26 -1.57 115.64 117.66 1kbw s THR 118 Ca 0.34 -0.49 0.10 0.00 0.31 0.00 0.00 61.69 61.94 1kbw s THR 118 Cb -0.02 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1kbw s THR 118 CO 0.19 0.31 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.82 1kbw s SER 119 N 0.14 3.86 0.01 3.53 0.01 0.27 -4.96 113.70 116.56 1kbw s SER 119 Ca -0.03 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.55 1kbw s SER 119 Cb -0.10 -0.50 -0.01 0.00 0.21 0.00 0.00 66.02 65.62 1kbw s SER 119 CO 0.01 0.12 -0.06 -0.89 0.41 0.00 0.00 173.24 172.84 1kbw s THR 120 N -1.61 0.42 -0.05 1.44 2.01 -1.26 0.46 115.64 117.06 1kbw s THR 120 Ca 0.22 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.47 1kbw s THR 120 Cb -0.09 -0.40 0.11 0.00 0.01 0.00 0.00 72.50 72.14 1kbw s THR 120 CO 0.12 -0.04 0.96 0.72 -0.69 0.00 0.00 174.62 175.70 1kbw s PHE 121 N -0.48 -0.29 0.05 4.92 -0.12 -0.84 -4.95 117.98 116.26 1kbw s PHE 121 Ca -0.02 0.18 0.01 0.00 -0.05 0.00 0.00 56.93 57.05 1kbw s PHE 121 Cb -0.04 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.85 1kbw s PHE 121 CO -0.00 -0.47 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.10 1kbw s SER 122 N -2.42 0.72 0.02 1.98 1.04 -1.26 -0.24 113.70 113.54 1kbw s SER 122 Ca 0.06 -0.65 -0.08 0.00 0.48 0.00 0.00 55.95 55.77 1kbw s SER 122 Cb -0.01 0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.18 1kbw s SER 122 CO -0.08 -0.30 0.15 0.72 0.98 0.00 0.00 173.24 174.71 1kbw s PHE 123 N -1.97 0.08 -0.22 5.02 -0.12 -0.74 -4.97 117.98 115.06 1kbw s PHE 123 Ca -0.07 -0.26 -0.15 0.00 -0.05 0.00 0.00 56.93 56.41 1kbw s PHE 123 Cb -0.06 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1kbw s PHE 123 CO -0.02 -0.35 0.35 0.21 -0.05 0.00 0.00 175.22 175.36 1kbw s LYS 124 N -2.05 4.14 -1.13 1.99 2.20 -1.26 -0.16 119.74 123.47 1kbw s LYS 124 Ca -0.09 0.09 -0.22 0.00 -0.36 0.00 0.00 55.97 55.39 1kbw s LYS 124 Cb -0.04 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1kbw s LYS 124 CO -0.01 -0.04 1.75 0.00 -0.36 0.00 0.00 175.35 176.69 1kbw s ALA 125 N 1.32 2.50 0.29 3.13 0.00 -0.03 -4.63 121.76 124.35 1kbw s ALA 125 Ca 0.16 -2.31 0.05 0.00 0.00 0.00 0.00 51.96 49.86 1kbw s ALA 125 Cb -0.15 -4.61 0.45 0.00 0.00 0.00 0.00 23.12 18.82 1kbw s ALA 125 CO 0.07 -4.12 1.71 -0.07 0.00 0.00 0.00 175.76 173.36 1kbw h LEU 126 N 14.82 0.31 -8.25 0.00 3.38 -1.86 0.17 115.31 123.88 1kbw h LEU 126 Ca 0.27 -0.12 -0.57 0.00 0.09 0.00 0.00 57.88 57.55 1kbw h LEU 126 Cb 0.95 -0.09 -0.31 0.00 0.09 0.00 0.00 40.66 41.30 1kbw h LEU 126 CO 1.35 0.66 -0.84 -1.10 0.09 0.00 0.00 178.44 178.60 1kbw s GLN 127 N -4.25 1.76 0.71 1.13 -0.21 -1.26 -4.64 119.66 112.90 1kbw s GLN 127 Ca -0.05 -0.62 -0.13 0.00 0.02 0.00 0.00 55.36 54.57 1kbw s GLN 127 Cb 0.13 -1.55 0.03 0.00 1.00 0.00 0.00 33.01 32.62 1kbw s GLN 127 CO 0.78 0.27 1.11 -1.25 -2.12 0.00 0.00 175.29 174.07 1kbw s PRO 128 N -0.04 2.52 0.00 2.91 0.04 -1.26 -4.83 135.00 134.33 1kbw s PRO 128 Ca -0.02 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1kbw s PRO 128 Cb -0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1kbw s PRO 128 CO 0.02 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.01 1kbw n GLY 129 N -0.75 0.86 3.24 0.56 0.00 0.56 -4.96 105.19 104.70 1kbw n GLY 129 Ca 0.10 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 1kbw n GLY 129 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kbw s LEU 130 N 0.00 4.60 -0.03 0.99 2.96 -1.24 -0.56 118.68 125.40 1kbw s LEU 130 Ca 0.00 -1.37 0.03 0.00 -0.22 0.00 0.00 54.13 52.57 1kbw s LEU 130 Cb 0.00 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1kbw s LEU 130 CO 0.00 -0.40 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.24 1kbw s TYR 131 N 1.35 2.86 0.26 5.38 1.51 -0.27 -4.66 117.35 123.79 1kbw s TYR 131 Ca 0.00 -0.04 -0.20 0.00 -1.01 0.00 0.00 57.07 55.82 1kbw s TYR 131 Cb -0.21 -1.64 -0.09 0.00 -0.11 0.00 0.00 41.96 39.91 1kbw s TYR 131 CO 0.01 0.33 0.77 -1.50 -1.11 0.00 0.00 175.55 174.05 1kbw s ILE 132 N -0.89 4.52 0.04 2.71 1.10 -1.26 0.41 121.20 127.83 1kbw s ILE 132 Ca 0.14 1.34 0.04 0.00 -0.51 0.00 0.00 60.65 61.67 1kbw s ILE 132 Cb -0.11 -3.85 -0.02 0.00 0.15 0.00 0.00 42.46 38.63 1kbw s ILE 132 CO 0.04 0.14 -0.13 -0.72 -2.11 0.00 0.00 174.94 172.16 1kbw s TYR 133 N -1.61 1.09 0.22 3.50 -0.85 0.86 -1.38 117.35 119.18 1kbw s TYR 133 Ca 0.46 -0.37 -0.21 0.00 -0.52 0.00 0.00 57.07 56.43 1kbw s TYR 133 Cb -0.16 -0.64 0.04 0.00 0.38 0.00 0.00 41.96 41.57 1kbw s TYR 133 CO 0.21 0.02 0.63 -3.38 -1.52 0.00 0.00 175.55 171.51 1kbw s HIS 134 N -0.95 -0.28 0.33 -3.49 -3.43 -0.52 -0.66 115.29 106.29 1kbw s HIS 134 Ca -0.01 -0.06 -0.27 0.00 -0.80 0.00 0.00 55.06 53.92 1kbw s HIS 134 Cb -0.08 0.57 -0.09 0.00 -1.43 0.00 0.00 32.58 31.55 1kbw s HIS 134 CO 0.01 -1.03 1.08 0.00 -2.00 0.00 0.00 174.74 172.81 1kbw n ALA 136 N 0.62 3.60 -2.41 0.00 0.00 -1.26 -4.50 120.51 116.55 1kbw n ALA 136 Ca 0.02 -3.16 -0.38 0.00 0.00 0.00 0.00 53.44 49.92 1kbw n ALA 136 Cb 0.47 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 1kbw n ALA 136 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1kbw s VAL 137 N -3.52 4.90 0.20 0.00 1.01 -1.26 -4.81 120.40 116.92 1kbw s VAL 137 Ca 0.38 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 1kbw s VAL 137 Cb 0.37 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 1kbw s VAL 137 CO -0.03 0.55 1.36 0.00 0.00 0.00 0.00 175.10 176.98 1kbw s ALA 138 N -0.97 3.57 -0.23 5.51 0.00 -1.26 -2.00 121.76 126.38 1kbw s ALA 138 Ca 0.26 1.18 -0.28 0.00 0.00 0.00 0.00 51.96 53.12 1kbw s ALA 138 Cb -0.18 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1kbw s ALA 138 CO 0.16 -0.61 1.00 -1.25 0.00 0.00 0.00 175.76 175.06 1kbw s PRO 139 N 0.04 4.25 0.24 0.00 0.04 -1.26 -5.04 135.00 133.27 1kbw s PRO 139 Ca 0.59 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.86 1kbw s PRO 139 Cb -0.38 -3.64 0.45 0.00 0.04 0.00 0.00 34.50 30.97 1kbw s PRO 139 CO 0.38 -0.61 1.68 0.28 0.04 0.00 0.00 177.00 178.78 1kbw h VAL 140 N 5.44 0.51 -0.90 -0.36 2.07 -1.71 -1.65 116.25 119.65 1kbw h VAL 140 Ca -0.20 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1kbw h VAL 140 Cb 1.07 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1kbw h VAL 140 CO 0.96 0.05 0.59 1.23 0.02 0.00 0.00 177.57 180.42 1kbw h GLY 141 N 0.26 1.29 1.04 2.17 0.00 -1.93 -1.90 103.07 103.99 1kbw h GLY 141 Ca 0.41 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 1kbw h GLY 141 CO -0.51 0.39 -0.28 1.98 0.00 0.00 0.00 176.54 178.12 1kbw h MET 142 N 1.14 0.82 -0.71 4.80 -1.53 -1.66 0.19 114.93 117.97 1kbw h MET 142 Ca 0.35 -0.41 -0.04 0.00 -3.44 0.00 0.00 59.70 56.17 1kbw h MET 142 Cb 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 1kbw h MET 142 CO -0.10 1.04 0.27 0.45 0.14 0.00 0.00 176.91 178.71 1kbw h HIS 143 N 0.61 1.08 -0.03 1.39 3.86 -1.17 -1.22 115.15 119.67 1kbw h HIS 143 Ca 0.07 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1kbw h HIS 143 Cb 0.85 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1kbw h HIS 143 CO 0.06 0.83 -0.06 0.82 0.86 0.00 0.00 177.93 180.44 1kbw h ILE 144 N 1.04 1.43 -0.75 2.45 2.04 -1.23 -3.04 117.51 119.44 1kbw h ILE 144 Ca 0.24 -1.37 0.16 0.00 1.00 0.00 0.00 64.86 64.89 1kbw h ILE 144 Cb 0.22 2.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 1kbw h ILE 144 CO -0.02 0.37 0.51 0.00 0.00 0.00 0.00 178.15 179.01 1kbw h ALA 145 N 0.47 2.18 0.00 1.87 0.00 -0.45 0.08 119.26 123.40 1kbw h ALA 145 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kbw h ALA 145 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1kbw h ALA 145 CO 0.01 -0.39 0.00 0.09 0.00 0.00 0.00 179.25 178.97 1kbw n ASN 146 N -4.47 0.00 0.00 0.00 3.02 -0.48 -4.80 115.26 108.54 1kbw n ASN 146 Ca 0.14 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.21 1kbw n ASN 146 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1kbw n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kbw n GLY 147 N 0.60 1.04 3.29 7.41 0.00 0.01 -1.13 105.19 116.41 1kbw n GLY 147 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1kbw n GLY 147 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kbw n MET 148 N -1.32 3.27 -3.59 1.61 2.81 -1.10 -4.68 117.12 114.12 1kbw n MET 148 Ca 0.00 -3.41 -0.16 0.00 -1.81 0.00 0.00 57.70 52.32 1kbw n MET 148 Cb 0.00 -3.22 -0.07 0.00 -0.71 0.00 0.00 33.22 29.22 1kbw n MET 148 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 1kbw s TYR 149 N 2.54 -0.62 0.34 2.03 -0.85 -1.26 -1.99 117.35 117.54 1kbw s TYR 149 Ca 0.47 1.20 -0.08 0.00 -0.52 0.00 0.00 57.07 58.14 1kbw s TYR 149 Cb 0.04 0.32 0.03 0.00 0.38 0.00 0.00 41.96 42.74 1kbw s TYR 149 CO 0.02 -0.51 0.59 0.41 -1.52 0.00 0.00 175.55 174.54 1kbw n GLY 150 N 1.47 1.60 3.37 5.49 0.00 0.16 -1.58 105.19 115.70 1kbw n GLY 150 Ca -0.18 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 1kbw n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kbw s LEU 151 N 0.00 2.29 -0.16 0.99 1.43 -1.26 -0.10 118.68 121.87 1kbw s LEU 151 Ca 0.21 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1kbw s LEU 151 Cb -0.03 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.84 1kbw s LEU 151 CO 0.15 0.28 -0.16 -0.51 0.23 0.00 0.00 176.35 176.34 1kbw s ILE 152 N -0.79 1.73 -0.26 -0.59 2.07 0.17 -2.12 121.20 121.40 1kbw s ILE 152 Ca 0.12 -0.76 -0.15 0.00 -1.41 0.00 0.00 60.65 58.45 1kbw s ILE 152 Cb -0.10 -1.62 -0.04 0.00 0.13 0.00 0.00 42.46 40.84 1kbw s ILE 152 CO 0.02 0.46 0.39 -0.22 -1.91 0.00 0.00 174.94 173.68 1kbw s LEU 153 N 1.42 4.05 -0.46 8.50 2.96 0.18 -1.11 118.68 134.23 1kbw s LEU 153 Ca 0.04 0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 54.21 1kbw s LEU 153 Cb -0.13 -2.46 0.11 0.00 0.50 0.00 0.00 46.19 44.20 1kbw s LEU 153 CO -0.11 -0.19 0.32 -0.69 -1.32 0.00 0.00 176.35 174.36 1kbw s VAL 154 N 2.03 4.15 0.49 1.68 1.01 0.28 -1.21 120.40 128.82 1kbw s VAL 154 Ca 0.16 -1.72 -0.21 0.00 0.00 0.00 0.00 61.98 60.20 1kbw s VAL 154 Cb -0.16 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 1kbw s VAL 154 CO 0.10 -0.71 1.14 -1.61 0.00 0.00 0.00 175.10 174.02 1kbw s GLU 155 N 1.36 3.62 0.73 2.72 2.02 0.18 -0.32 118.70 129.01 1kbw s GLU 155 Ca 0.05 1.69 -0.12 0.00 0.02 0.00 0.00 54.97 56.60 1kbw s GLU 155 Cb -0.25 -2.24 0.03 0.00 0.10 0.00 0.00 34.13 31.77 1kbw s GLU 155 CO -0.00 -0.65 1.10 -2.14 0.02 0.00 0.00 175.26 173.59 1kbw s PRO 156 N -2.94 2.46 0.22 0.39 0.02 -1.26 -0.04 135.00 133.85 1kbw s PRO 156 Ca 0.67 1.27 -0.14 0.00 0.02 0.00 0.00 61.00 62.82 1kbw s PRO 156 Cb -0.26 -1.92 0.26 0.00 0.02 0.00 0.00 34.50 32.61 1kbw s PRO 156 CO 0.31 -1.50 1.61 0.87 -0.33 0.00 0.00 177.00 177.95 1kbw h LYS 157 N -0.67 -0.03 0.00 5.54 1.79 -1.96 0.36 116.57 121.61 1kbw h LYS 157 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1kbw h LYS 157 Cb 1.24 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1kbw h LYS 157 CO 0.52 -0.02 0.00 0.39 -1.08 0.00 0.00 179.45 179.27 1kbw n GLU 158 N -5.47 0.01 0.00 3.15 4.71 -1.26 -4.95 120.64 116.83 1kbw n GLU 158 Ca 0.09 0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.48 1kbw n GLU 158 Cb 0.37 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.29 1kbw n GLU 158 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1kbw n GLY 159 N 0.07 -1.90 3.92 0.62 0.00 0.13 -4.96 105.19 103.07 1kbw n GLY 159 Ca 0.04 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1kbw n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kbw s LEU 160 N -4.83 4.30 0.50 0.99 1.43 -1.26 -4.71 118.68 115.09 1kbw s LEU 160 Ca 0.00 0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 53.24 1kbw s LEU 160 Cb 0.00 -3.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.05 1kbw s LEU 160 CO 0.00 0.07 1.03 -2.65 0.23 0.00 0.00 176.35 175.03 1kbw n PRO 161 N -0.13 1.26 -2.00 1.29 -0.02 -1.26 -4.92 135.00 129.22 1kbw n PRO 161 Ca -0.05 0.46 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 1kbw n PRO 161 Cb 0.52 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1kbw n PRO 161 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1kbw s LYS 162 N -2.35 3.37 0.04 -0.52 -0.14 -1.26 -5.03 119.74 113.84 1kbw s LYS 162 Ca 0.68 2.01 -0.03 0.00 -1.36 0.00 0.00 55.97 57.26 1kbw s LYS 162 Cb -0.49 -2.28 -0.02 0.00 -1.68 0.00 0.00 37.83 33.36 1kbw s LYS 162 CO 0.53 -0.94 0.04 0.08 -0.76 0.00 0.00 175.35 174.30 1kbw s VAL 163 N -1.43 0.15 -0.01 3.17 1.01 -1.26 -5.08 120.40 116.95 1kbw s VAL 163 Ca 0.69 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1kbw s VAL 163 Cb -0.35 -0.91 -0.19 0.00 0.00 0.00 0.00 36.38 34.94 1kbw s VAL 163 CO 0.41 -0.67 1.22 0.44 0.00 0.00 0.00 175.10 176.49 1kbw h ASP 164 N 3.74 0.22 -4.22 3.32 3.32 -1.76 -3.46 116.42 117.59 1kbw h ASP 164 Ca -0.33 -0.58 -0.37 0.00 0.02 0.00 0.00 57.03 55.78 1kbw h ASP 164 Cb 1.18 -0.06 -0.26 0.00 0.22 0.00 0.00 39.33 40.40 1kbw h ASP 164 CO 0.52 0.76 -0.77 -0.54 -1.72 0.00 0.00 179.24 177.49 1kbw s LYS 165 N -3.89 0.67 -0.05 3.56 1.02 -0.97 -5.00 119.74 115.07 1kbw s LYS 165 Ca -0.15 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 55.40 1kbw s LYS 165 Cb 0.03 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.72 1kbw s LYS 165 CO 0.73 0.16 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.94 1kbw s GLU 166 N -0.68 1.81 0.03 1.68 2.02 -1.26 -0.61 118.70 121.69 1kbw s GLU 166 Ca -0.00 -0.58 0.06 0.00 0.02 0.00 0.00 54.97 54.47 1kbw s GLU 166 Cb -0.05 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 32.61 1kbw s GLU 166 CO 0.00 0.20 -0.17 -0.06 0.02 0.00 0.00 175.26 175.25 1kbw s PHE 167 N 0.17 1.49 -0.36 1.61 0.40 -0.46 -4.35 117.98 116.48 1kbw s PHE 167 Ca -0.07 -0.34 -0.09 0.00 -0.60 0.00 0.00 56.93 55.83 1kbw s PHE 167 Cb -0.13 -0.90 0.03 0.00 0.51 0.00 0.00 43.02 42.54 1kbw s PHE 167 CO 0.03 0.04 0.17 -0.47 0.70 0.00 0.00 175.22 175.69 1kbw s TYR 168 N -0.72 3.25 -0.08 0.36 5.04 0.14 -0.30 117.35 125.03 1kbw s TYR 168 Ca 0.05 -1.12 0.02 0.00 -2.44 0.00 0.00 57.07 53.58 1kbw s TYR 168 Cb -0.08 -2.38 0.01 0.00 0.35 0.00 0.00 41.96 39.86 1kbw s TYR 168 CO 0.01 -0.67 -0.13 0.42 -1.34 0.00 0.00 175.55 173.83 1kbw s ILE 169 N 1.50 1.28 -0.08 3.14 1.09 -0.52 -3.74 121.20 123.88 1kbw s ILE 169 Ca 0.01 -0.54 0.00 0.00 -1.10 0.00 0.00 60.65 59.02 1kbw s ILE 169 Cb -0.19 -1.17 0.02 0.00 -1.06 0.00 0.00 42.46 40.06 1kbw s ILE 169 CO 0.05 0.39 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.54 1kbw s VAL 170 N 0.80 0.73 0.25 2.92 1.01 -1.26 -0.22 120.40 124.64 1kbw s VAL 170 Ca -0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1kbw s VAL 170 Cb -0.16 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1kbw s VAL 170 CO 0.02 0.30 0.53 -1.58 0.00 0.00 0.00 175.10 174.36 1kbw s GLN 171 N 1.39 3.68 0.00 2.72 0.74 -0.30 -0.45 119.66 127.44 1kbw s GLN 171 Ca -0.03 0.07 -0.28 0.00 0.05 0.00 0.00 55.36 55.17 1kbw s GLN 171 Cb -0.13 -2.67 0.07 0.00 1.10 0.00 0.00 33.01 31.37 1kbw s GLN 171 CO -0.03 0.28 0.63 0.20 -0.55 0.00 0.00 175.29 175.81 1kbw s GLY 172 N -2.84 -0.55 -0.12 2.59 0.00 -0.56 -0.46 107.32 105.38 1kbw s GLY 172 Ca 0.44 1.03 -0.03 0.00 0.00 0.00 0.00 44.72 46.17 1kbw s GLY 172 CO 0.27 0.69 -0.03 0.51 0.00 0.00 0.00 173.10 174.54 1kbw s ASP 173 N -1.58 4.95 -0.04 1.64 1.47 0.74 -1.60 116.67 122.25 1kbw s ASP 173 Ca -0.08 -0.02 0.05 0.00 1.18 0.00 0.00 52.55 53.68 1kbw s ASP 173 Cb -0.01 -1.60 -0.02 0.00 -0.34 0.00 0.00 42.92 40.95 1kbw s ASP 173 CO 0.04 0.26 -0.20 -0.36 0.68 0.00 0.00 175.17 175.60 1kbw s PHE 174 N -0.20 2.54 -0.37 2.11 0.08 0.21 -4.24 117.98 118.12 1kbw s PHE 174 Ca 0.04 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.69 1kbw s PHE 174 Cb -0.13 -1.59 0.07 0.00 -0.57 0.00 0.00 43.02 40.80 1kbw s PHE 174 CO 0.02 0.04 0.14 0.71 -0.10 0.00 0.00 175.22 176.03 1kbw s TYR 175 N -0.56 3.36 -0.06 0.36 1.51 -1.26 -1.06 117.35 119.63 1kbw s TYR 175 Ca 0.08 -1.79 -0.03 0.00 -1.01 0.00 0.00 57.07 54.31 1kbw s TYR 175 Cb -0.11 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1kbw s TYR 175 CO 0.01 -0.83 0.11 0.99 -1.11 0.00 0.00 175.55 174.71 1kbw s THR 176 N 1.31 5.08 0.07 -0.71 2.01 -1.26 -1.31 115.64 120.83 1kbw s THR 176 Ca 0.01 -0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.66 1kbw s THR 176 Cb -0.21 -3.27 -0.15 0.00 0.01 0.00 0.00 72.50 68.88 1kbw s THR 176 CO 0.00 0.48 1.65 0.50 -0.69 0.00 0.00 174.62 176.56 1kbw h LYS 177 N 4.52 0.02 -7.62 4.92 3.64 -1.59 -3.43 116.57 117.03 1kbw h LYS 177 Ca -0.51 -0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.40 1kbw h LYS 177 Cb 1.20 -0.00 0.11 0.00 -0.41 0.00 0.00 32.23 33.13 1kbw h LYS 177 CO 0.61 0.11 0.40 0.20 -2.27 0.00 0.00 179.45 178.50 1kbw s GLY 178 N -2.40 1.60 0.55 5.01 0.00 -1.26 -5.05 107.32 105.77 1kbw s GLY 178 Ca -0.14 -0.68 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 1kbw s GLY 178 CO 0.67 -0.16 0.85 0.54 0.00 0.00 0.00 173.10 175.00 1kbw s LYS 179 N -5.56 3.02 -0.20 2.90 1.02 -1.26 -4.90 119.74 114.75 1kbw s LYS 179 Ca 0.63 -0.07 -0.42 0.00 0.02 0.00 0.00 55.97 56.13 1kbw s LYS 179 Cb -0.11 -2.34 -0.18 0.00 -0.52 0.00 0.00 37.83 34.68 1kbw s LYS 179 CO 0.50 -0.56 1.44 1.17 -0.92 0.00 0.00 175.35 176.97 1kbw n LYS 180 N -2.45 0.46 0.00 1.68 0.00 -1.26 -0.69 118.16 115.90 1kbw n LYS 180 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 58.31 58.51 1kbw n LYS 180 Cb 0.57 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 33.87 1kbw n LYS 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1kbw n GLY 181 N 3.07 2.80 3.69 3.14 0.00 -1.26 -5.03 105.19 111.59 1kbw n GLY 181 Ca 0.25 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.76 1kbw n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbw n ALA 182 N -0.45 0.61 -1.41 4.61 0.00 0.13 -4.91 120.51 119.10 1kbw n ALA 182 Ca 0.00 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 1kbw n ALA 182 Cb 0.00 -2.42 0.07 0.00 0.00 0.00 0.00 19.45 17.10 1kbw n ALA 182 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1kbw s GLN 183 N 3.78 2.52 0.03 0.00 -1.52 -1.26 -4.74 119.66 118.47 1kbw s GLN 183 Ca 0.94 1.42 0.00 0.00 -1.95 0.00 0.00 55.36 55.76 1kbw s GLN 183 Cb -0.79 -1.91 0.00 0.00 -0.22 0.00 0.00 33.01 30.09 1kbw s GLN 183 CO 0.55 -1.47 0.00 0.41 -0.25 0.00 0.00 175.29 174.52 1kbw n GLY 184 N -0.46 -3.59 3.62 3.09 0.00 -0.18 -4.87 105.19 102.80 1kbw n GLY 184 Ca 0.11 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1kbw n GLY 184 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kbw s LEU 185 N 0.00 3.78 -0.25 0.99 2.96 -1.26 -1.31 118.68 123.59 1kbw s LEU 185 Ca 0.00 1.05 -0.12 0.00 -0.22 0.00 0.00 54.13 54.84 1kbw s LEU 185 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1kbw s LEU 185 CO 0.00 -1.19 0.24 -1.10 -1.32 0.00 0.00 176.35 172.98 1kbw s GLN 186 N 4.40 4.03 0.71 1.98 -1.52 -0.01 -4.95 119.66 124.31 1kbw s GLN 186 Ca 0.57 -0.17 -0.11 0.00 -1.95 0.00 0.00 55.36 53.70 1kbw s GLN 186 Cb -0.15 -3.60 0.02 0.00 -0.22 0.00 0.00 33.01 29.05 1kbw s GLN 186 CO 0.26 -0.10 1.07 -2.14 -0.25 0.00 0.00 175.29 174.13 1kbw s PRO 187 N 1.52 2.80 0.33 2.91 0.02 -1.26 -4.46 135.00 136.87 1kbw s PRO 187 Ca 0.10 0.93 -0.28 0.00 0.02 0.00 0.00 61.00 61.77 1kbw s PRO 187 Cb -0.15 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.30 1kbw s PRO 187 CO 0.08 -1.19 1.23 0.12 -0.33 0.00 0.00 177.00 176.92 1kbw s PHE 188 N -3.05 3.18 -0.37 6.54 5.36 -1.26 -1.63 117.98 126.75 1kbw s PHE 188 Ca 0.58 1.51 -0.01 0.00 -0.96 0.00 0.00 56.93 58.06 1kbw s PHE 188 Cb -0.14 -3.54 0.10 0.00 -0.34 0.00 0.00 43.02 39.10 1kbw s PHE 188 CO 0.55 -1.45 0.12 0.34 -1.46 0.00 0.00 175.22 173.32 1kbw s ASP 189 N -0.69 5.05 0.24 6.13 -1.08 -0.42 -4.71 116.67 121.19 1kbw s ASP 189 Ca 0.49 -1.92 -0.05 0.00 -0.52 0.00 0.00 52.55 50.55 1kbw s ASP 189 Cb -0.36 -1.75 0.36 0.00 -1.46 0.00 0.00 42.92 39.70 1kbw s ASP 189 CO 0.48 -0.44 1.82 -0.03 0.52 0.00 0.00 175.17 177.52 1kbw h MET 190 N 7.92 0.81 -0.72 4.34 1.85 -1.94 -2.32 114.93 124.87 1kbw h MET 190 Ca -0.12 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 58.89 1kbw h MET 190 Cb 1.04 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 32.86 1kbw h MET 190 CO 0.62 0.54 0.32 -0.44 -0.40 0.00 0.00 176.91 177.54 1kbw h ASP 191 N 0.84 0.97 0.06 1.39 3.32 -1.99 -1.12 116.42 119.88 1kbw h ASP 191 Ca 0.38 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 1kbw h ASP 191 Cb 0.28 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1kbw h ASP 191 CO -0.21 0.85 -0.42 0.11 -1.72 0.00 0.00 179.24 177.84 1kbw h LYS 192 N 1.02 0.46 -0.14 3.56 1.57 -1.82 -1.98 116.57 119.23 1kbw h LYS 192 Ca 0.24 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1kbw h LYS 192 Cb 0.17 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1kbw h LYS 192 CO -0.03 0.80 0.09 0.00 -0.57 0.00 0.00 179.45 179.74 1kbw h ALA 193 N 1.17 0.18 -0.37 3.86 0.00 -0.95 -0.44 119.26 122.71 1kbw h ALA 193 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1kbw h ALA 193 Cb 0.90 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1kbw h ALA 193 CO 0.08 -0.32 -0.06 0.28 0.00 0.00 0.00 179.25 179.23 1kbw h VAL 194 N 0.17 1.23 -0.04 0.00 2.07 -1.11 -2.25 116.25 116.32 1kbw h VAL 194 Ca 0.05 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1kbw h VAL 194 Cb 0.00 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1kbw h VAL 194 CO -0.01 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.91 1kbw n ALA 195 N -2.48 2.61 -3.64 1.67 0.00 -0.75 -4.92 120.51 113.00 1kbw n ALA 195 Ca 0.01 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 1kbw n ALA 195 Cb 0.30 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.53 1kbw n ALA 195 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kbw n GLU 196 N -0.35 -6.66 -3.86 0.00 1.02 -0.31 -4.96 120.64 105.51 1kbw n GLU 196 Ca 0.19 0.75 -0.28 0.00 -0.02 0.00 0.00 57.16 57.80 1kbw n GLU 196 Cb 0.22 -5.69 -0.12 0.00 -0.02 0.00 0.00 31.44 25.82 1kbw n GLU 196 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1kbw s GLN 197 N -6.08 2.21 0.63 3.49 -0.21 -0.39 -5.02 119.66 114.29 1kbw s GLN 197 Ca 0.36 -3.08 -0.13 0.00 0.02 0.00 0.00 55.36 52.54 1kbw s GLN 197 Cb -0.17 -3.19 -0.02 0.00 1.00 0.00 0.00 33.01 30.63 1kbw s GLN 197 CO 0.76 -1.26 1.04 -1.25 -2.12 0.00 0.00 175.29 172.46 1kbw s PRO 198 N -1.08 3.30 -0.18 2.91 0.04 -1.26 -4.69 135.00 134.03 1kbw s PRO 198 Ca 0.24 0.95 0.09 0.00 0.04 0.00 0.00 61.00 62.33 1kbw s PRO 198 Cb -0.08 -2.04 -0.22 0.00 0.04 0.00 0.00 34.50 32.20 1kbw s PRO 198 CO -0.14 -0.81 0.11 0.39 0.04 0.00 0.00 177.00 176.59 1kbw n GLU 199 N -2.63 0.68 -4.83 4.56 -0.58 -0.22 -4.93 120.64 112.68 1kbw n GLU 199 Ca 0.07 0.12 -0.25 0.00 -0.42 0.00 0.00 57.16 56.68 1kbw n GLU 199 Cb 0.54 -1.59 -0.16 0.00 -0.57 0.00 0.00 31.44 29.66 1kbw n GLU 199 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1kbw s TYR 200 N -2.52 1.59 -0.20 -0.32 1.51 -1.03 -4.60 117.35 111.79 1kbw s TYR 200 Ca -0.18 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.51 1kbw s TYR 200 Cb 0.07 -1.04 0.06 0.00 -0.11 0.00 0.00 41.96 40.94 1kbw s TYR 200 CO 0.75 -0.07 0.00 0.08 -1.11 0.00 0.00 175.55 175.21 1kbw s VAL 201 N -0.27 0.81 0.27 0.71 1.01 -0.34 0.66 120.40 123.25 1kbw s VAL 201 Ca 0.04 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1kbw s VAL 201 Cb -0.08 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1kbw s VAL 201 CO 0.00 -0.13 0.08 0.68 0.00 0.00 0.00 175.10 175.73 1kbw s VAL 202 N 1.73 0.77 -0.18 2.92 -7.23 -0.62 0.77 120.40 118.55 1kbw s VAL 202 Ca -0.02 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.09 1kbw s VAL 202 Cb -0.17 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1kbw s VAL 202 CO -0.07 -0.03 0.02 -0.36 -0.31 0.00 0.00 175.10 174.35 1kbw s PHE 203 N -3.60 3.14 -1.16 2.82 0.08 -1.26 -1.50 117.98 116.49 1kbw s PHE 203 Ca 0.37 -0.14 -0.05 0.00 0.12 0.00 0.00 56.93 57.24 1kbw s PHE 203 Cb 0.08 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1kbw s PHE 203 CO 0.14 0.02 0.89 0.09 -0.10 0.00 0.00 175.22 176.26 1kbw n ASN 204 N 3.68 -3.93 0.00 1.36 5.03 0.40 -3.99 115.26 117.82 1kbw n ASN 204 Ca -0.17 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.55 1kbw n ASN 204 Cb 0.52 -4.76 0.00 0.00 -1.02 0.00 0.00 39.78 34.52 1kbw n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kbw n GLY 205 N -1.31 0.52 3.15 7.41 0.00 -1.18 -4.64 105.19 109.13 1kbw n GLY 205 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1kbw n GLY 205 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kbw s HIS 206 N -0.61 0.24 0.18 1.61 3.76 -1.26 -4.87 115.29 114.34 1kbw s HIS 206 Ca 0.00 -0.63 -0.30 0.00 -0.15 0.00 0.00 55.06 53.98 1kbw s HIS 206 Cb 0.00 -0.15 -0.08 0.00 1.11 0.00 0.00 32.58 33.45 1kbw s HIS 206 CO 0.00 -0.44 1.28 0.08 -0.85 0.00 0.00 174.74 174.81 1kbw s VAL 207 N -3.33 3.39 0.00 -0.90 1.01 0.26 -2.59 120.40 118.24 1kbw s VAL 207 Ca 0.01 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1kbw s VAL 207 Cb 0.03 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1kbw s VAL 207 CO -0.08 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1kbw n GLY 208 N 2.49 0.73 0.40 4.51 0.00 -1.26 -4.81 105.19 107.25 1kbw n GLY 208 Ca 0.06 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.28 1kbw n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbw h ALA 209 N 0.00 2.38 -0.11 4.61 0.00 -1.73 -1.68 119.26 122.74 1kbw h ALA 209 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1kbw h ALA 209 Cb 0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1kbw h ALA 209 CO 0.00 -0.59 -0.55 1.28 0.00 0.00 0.00 179.25 179.39 1kbw n LEU 210 N -4.42 3.02 -4.36 0.00 4.77 -1.26 -4.76 117.00 109.98 1kbw n LEU 210 Ca 0.15 -4.02 -0.19 0.00 -0.03 0.00 0.00 56.01 51.92 1kbw n LEU 210 Cb 0.66 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1kbw n LEU 210 CO 0.35 1.50 -0.21 -0.89 -1.33 0.00 0.00 177.39 176.81 1kbw s THR 211 N -3.41 0.47 0.00 -5.08 2.01 -0.63 -0.31 115.64 108.69 1kbw s THR 211 Ca 0.40 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.40 1kbw s THR 211 Cb 0.38 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 70.35 1kbw s THR 211 CO -0.05 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 1kbw n GLY 212 N -0.61 3.88 0.28 4.40 0.00 -1.26 -0.52 105.19 111.36 1kbw n GLY 212 Ca -0.00 0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.25 1kbw n GLY 212 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kbw h ASP 213 N 0.00 0.00 -0.50 1.61 3.32 -1.97 -2.53 116.42 116.35 1kbw h ASP 213 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kbw h ASP 213 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1kbw h ASP 213 CO 0.00 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 178.14 1kbw n ASN 214 N -3.14 2.80 -4.69 6.45 3.02 0.32 -4.97 115.26 115.06 1kbw n ASN 214 Ca -0.00 -1.98 -0.39 0.00 -0.03 0.00 0.00 54.58 52.18 1kbw n ASN 214 Cb 0.28 -0.34 0.04 0.00 -0.61 0.00 0.00 39.78 39.15 1kbw n ASN 214 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kbw n ALA 215 N 1.03 0.97 -1.78 5.41 0.00 -0.96 -4.05 120.51 121.14 1kbw n ALA 215 Ca 0.18 0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1kbw n ALA 215 Cb 0.45 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 1kbw n ALA 215 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kbw s LEU 216 N -2.53 3.79 0.00 0.00 1.43 0.43 -4.84 118.68 116.96 1kbw s LEU 216 Ca 0.71 2.02 0.06 0.00 -1.03 0.00 0.00 54.13 55.88 1kbw s LEU 216 Cb -0.44 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.19 1kbw s LEU 216 CO 0.50 -0.97 -0.18 -0.54 0.23 0.00 0.00 176.35 175.39 1kbw s LYS 217 N -3.31 1.38 0.21 1.70 1.02 -1.26 0.13 119.74 119.61 1kbw s LYS 217 Ca 0.69 -0.71 -0.11 0.00 0.02 0.00 0.00 55.97 55.86 1kbw s LYS 217 Cb -0.19 -1.37 -0.01 0.00 -0.52 0.00 0.00 37.83 35.74 1kbw s LYS 217 CO 0.24 0.37 0.39 0.00 -0.92 0.00 0.00 175.35 175.42 1kbw s ALA 218 N -0.53 -0.11 0.08 5.17 0.00 -0.44 -4.95 121.76 120.98 1kbw s ALA 218 Ca 0.06 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.21 1kbw s ALA 218 Cb -0.07 1.00 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 1kbw s ALA 218 CO -0.00 -0.75 -0.13 0.15 0.00 0.00 0.00 175.76 175.03 1kbw s LYS 219 N -4.00 2.10 0.24 0.00 1.02 -1.26 -0.88 119.74 116.97 1kbw s LYS 219 Ca 0.21 -1.00 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 1kbw s LYS 219 Cb 0.01 -2.27 -0.14 0.00 -0.52 0.00 0.00 37.83 34.92 1kbw s LYS 219 CO 0.05 0.52 1.33 0.00 -0.92 0.00 0.00 175.35 176.33 1kbw n ALA 220 N 1.03 0.70 0.00 5.17 0.00 1.28 -1.78 120.51 126.91 1kbw n ALA 220 Ca -0.15 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1kbw n ALA 220 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1kbw n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kbw n GLY 221 N 1.96 3.05 3.78 0.00 0.00 0.25 -4.93 105.19 109.30 1kbw n GLY 221 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1kbw n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kbw s GLU 222 N -0.89 4.11 -0.18 1.61 2.02 -0.73 -4.77 118.70 119.86 1kbw s GLU 222 Ca 0.00 1.49 -0.16 0.00 0.02 0.00 0.00 54.97 56.32 1kbw s GLU 222 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 1kbw s GLU 222 CO 0.00 -0.19 0.38 -0.08 0.02 0.00 0.00 175.26 175.39 1kbw s THR 223 N -1.71 5.23 -0.10 3.63 -1.32 -1.26 -1.55 115.64 118.55 1kbw s THR 223 Ca 0.59 0.70 0.00 0.00 -1.21 0.00 0.00 61.69 61.78 1kbw s THR 223 Cb -0.21 -3.72 -0.02 0.00 -1.51 0.00 0.00 72.50 67.04 1kbw s THR 223 CO 0.26 0.30 -0.10 -0.69 -2.21 0.00 0.00 174.62 172.18 1kbw s VAL 224 N 0.99 3.34 -0.10 5.08 1.01 0.10 -1.86 120.40 128.96 1kbw s VAL 224 Ca 0.19 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1kbw s VAL 224 Cb -0.14 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1kbw s VAL 224 CO 0.07 0.55 -0.21 -0.60 0.00 0.00 0.00 175.10 174.92 1kbw s ARG 225 N -0.14 3.02 -0.14 2.72 3.52 0.22 -1.12 118.95 127.03 1kbw s ARG 225 Ca 0.00 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 54.81 1kbw s ARG 225 Cb -0.13 -2.37 0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1kbw s ARG 225 CO 0.03 0.25 -0.22 -1.64 -0.81 0.00 0.00 175.30 172.92 1kbw s MET 226 N 0.19 3.04 -0.54 5.12 -1.94 0.55 -1.35 119.30 124.37 1kbw s MET 226 Ca -0.12 -0.85 -0.20 0.00 -1.71 0.00 0.00 55.69 52.81 1kbw s MET 226 Cb -0.16 -2.44 0.06 0.00 2.01 0.00 0.00 34.83 34.30 1kbw s MET 226 CO 0.07 0.01 0.71 0.71 -0.01 0.00 0.00 175.02 176.51 1kbw s TYR 227 N 0.75 2.98 -0.27 -0.03 1.51 0.59 -2.04 117.35 120.83 1kbw s TYR 227 Ca -0.08 -0.53 -0.09 0.00 -1.01 0.00 0.00 57.07 55.36 1kbw s TYR 227 Cb -0.16 -3.74 -0.03 0.00 -0.11 0.00 0.00 41.96 37.92 1kbw s TYR 227 CO -0.00 -1.16 0.12 0.08 -1.11 0.00 0.00 175.55 173.47 1kbw s VAL 228 N 2.93 4.58 0.32 0.71 1.01 -0.16 -1.44 120.40 128.35 1kbw s VAL 228 Ca 0.17 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1kbw s VAL 228 Cb -0.19 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1kbw s VAL 228 CO 0.12 0.24 0.16 -0.83 0.00 0.00 0.00 175.10 174.79 1kbw s GLY 229 N 1.64 1.80 -0.33 4.51 0.00 0.70 -0.81 107.32 114.82 1kbw s GLY 229 Ca 0.06 -1.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.05 1kbw s GLY 229 CO 0.06 -1.68 0.15 0.21 0.00 0.00 0.00 173.10 171.84 1kbw s ASN 230 N -3.85 3.63 0.33 1.64 3.84 -0.03 -1.15 114.94 119.35 1kbw s ASN 230 Ca 0.37 -1.78 0.26 0.00 0.21 0.00 0.00 52.86 51.92 1kbw s ASN 230 Cb -0.04 -0.65 1.03 0.00 -0.55 0.00 0.00 41.25 41.04 1kbw s ASN 230 CO 0.23 -0.38 1.78 1.23 -2.79 0.00 0.00 177.10 177.18 1kbw h GLY 231 N 7.78 0.00 0.00 1.21 0.00 -1.05 0.91 103.07 111.93 1kbw h GLY 231 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1kbw h GLY 231 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1kbw n GLY 232 N 0.23 1.01 0.30 4.60 0.00 -1.25 -4.49 105.19 105.58 1kbw n GLY 232 Ca 0.02 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.41 1kbw n GLY 232 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1kbw h PRO 233 N 0.00 0.75 0.00 1.61 0.11 -1.87 0.21 132.00 132.81 1kbw h PRO 233 Ca 0.00 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.82 1kbw h PRO 233 Cb 0.00 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 30.90 1kbw h PRO 233 CO 0.00 0.50 -1.92 0.09 -0.21 0.00 0.00 178.00 176.45 1kbw n ASN 234 N -4.75 2.06 -4.81 -2.05 3.02 -1.26 -4.80 115.26 102.67 1kbw n ASN 234 Ca 0.12 -0.03 -0.32 0.00 -0.03 0.00 0.00 54.58 54.33 1kbw n ASN 234 Cb 0.25 0.47 0.03 0.00 -0.61 0.00 0.00 39.78 39.93 1kbw n ASN 234 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1kbw s LEU 235 N -5.30 3.31 -0.12 3.41 1.43 -1.26 -4.86 118.68 115.29 1kbw s LEU 235 Ca -0.12 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 1kbw s LEU 235 Cb 0.05 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.74 1kbw s LEU 235 CO 0.49 -1.33 -0.17 -0.69 0.23 0.00 0.00 176.35 174.88 1kbw s VAL 236 N -2.75 2.74 -0.05 -1.59 1.01 -1.26 -4.03 120.40 114.47 1kbw s VAL 236 Ca 0.61 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1kbw s VAL 236 Cb -0.15 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1kbw s VAL 236 CO 0.46 0.54 0.28 -0.55 0.00 0.00 0.00 175.10 175.83 1kbw s SER 237 N 0.28 6.60 -0.93 3.32 0.15 -0.68 -4.91 113.70 117.54 1kbw s SER 237 Ca -0.12 0.72 -0.01 0.00 0.70 0.00 0.00 55.95 57.24 1kbw s SER 237 Cb -0.16 -2.16 0.28 0.00 -1.71 0.00 0.00 66.02 62.27 1kbw s SER 237 CO 0.06 0.35 1.19 -1.20 1.20 0.00 0.00 173.24 174.85 1kbw n SER 238 N 1.82 5.41 -4.71 5.45 7.64 -1.26 0.28 113.62 128.26 1kbw n SER 238 Ca -0.16 -3.39 -0.43 0.00 1.01 0.00 0.00 58.87 55.89 1kbw n SER 238 Cb 0.54 -1.07 -0.02 0.00 -1.01 0.00 0.00 64.21 62.64 1kbw n SER 238 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1kbw n PHE 239 N 1.28 2.58 -3.65 1.43 7.35 0.87 -0.19 117.46 127.13 1kbw n PHE 239 Ca 0.27 0.26 -0.15 0.00 -0.76 0.00 0.00 57.45 57.06 1kbw n PHE 239 Cb 0.36 -2.57 -0.07 0.00 0.35 0.00 0.00 39.48 37.55 1kbw n PHE 239 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1kbw s HIS 240 N 0.34 -0.41 -0.25 -5.13 5.65 -0.81 -1.54 115.29 113.15 1kbw s HIS 240 Ca 0.69 0.69 0.02 0.00 0.25 0.00 0.00 55.06 56.71 1kbw s HIS 240 Cb -0.56 0.24 0.05 0.00 -1.18 0.00 0.00 32.58 31.13 1kbw s HIS 240 CO 0.44 -0.49 -0.12 0.08 -0.65 0.00 0.00 174.74 174.01 1kbw s VAL 241 N -1.22 2.24 0.10 0.89 1.01 -1.26 -0.95 120.40 121.21 1kbw s VAL 241 Ca -0.12 -1.46 -0.31 0.00 0.00 0.00 0.00 61.98 60.09 1kbw s VAL 241 Cb -0.03 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 34.03 1kbw s VAL 241 CO 0.07 0.09 1.68 -0.63 0.00 0.00 0.00 175.10 176.30 1kbw s ILE 242 N 1.16 2.82 0.00 2.22 1.01 0.07 -2.14 121.20 126.35 1kbw s ILE 242 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1kbw s ILE 242 Cb -0.18 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1kbw s ILE 242 CO -0.06 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.49 1kbw n GLY 243 N 4.00 0.49 3.27 6.18 0.00 -1.26 -3.39 105.19 114.48 1kbw n GLY 243 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1kbw n GLY 243 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kbw s GLU 244 N -0.86 1.48 0.02 1.61 2.56 -0.91 -5.08 118.70 117.52 1kbw s GLU 244 Ca 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 54.97 53.17 1kbw s GLU 244 Cb 0.00 0.15 -0.02 0.00 2.00 0.00 0.00 34.13 36.26 1kbw s GLU 244 CO 0.00 -0.48 -0.10 0.42 -0.56 0.00 0.00 175.26 174.54 1kbw s ILE 245 N -3.78 0.78 -0.37 -3.70 1.01 -1.26 -4.70 121.20 109.18 1kbw s ILE 245 Ca 0.38 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 60.00 1kbw s ILE 245 Cb 0.05 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.82 1kbw s ILE 245 CO 0.18 -0.01 1.16 -0.36 0.00 0.00 0.00 174.94 175.91 1kbw s PHE 246 N -0.69 2.91 0.14 3.97 2.99 -0.53 -4.70 117.98 122.07 1kbw s PHE 246 Ca -0.00 0.96 -0.12 0.00 0.00 0.00 0.00 56.93 57.76 1kbw s PHE 246 Cb -0.06 -3.99 -0.01 0.00 0.00 0.00 0.00 43.02 38.95 1kbw s PHE 246 CO 0.00 -1.18 1.55 -0.44 -0.00 0.00 0.00 175.22 175.15 1kbw h ASP 247 N 8.82 0.86 -4.18 1.36 3.32 -1.16 -0.86 116.42 124.59 1kbw h ASP 247 Ca -0.23 -0.36 -0.20 0.00 0.02 0.00 0.00 57.03 56.26 1kbw h ASP 247 Cb 1.07 -0.24 -0.25 0.00 0.22 0.00 0.00 39.33 40.13 1kbw h ASP 247 CO 1.06 1.02 -0.68 -0.54 -1.72 0.00 0.00 179.24 178.39 1kbw s LYS 248 N -4.81 0.14 -0.07 3.56 1.02 -0.67 -3.33 119.74 115.58 1kbw s LYS 248 Ca -0.12 -0.18 -0.01 0.00 0.02 0.00 0.00 55.97 55.68 1kbw s LYS 248 Cb 0.11 0.06 0.03 0.00 -0.52 0.00 0.00 37.83 37.50 1kbw s LYS 248 CO 0.83 -0.02 0.00 0.08 -0.92 0.00 0.00 175.35 175.32 1kbw s VAL 249 N -0.50 0.39 -0.71 3.17 1.01 -0.06 -1.01 120.40 122.69 1kbw s VAL 249 Ca -0.06 0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 1kbw s VAL 249 Cb -0.04 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.86 1kbw s VAL 249 CO -0.00 0.26 1.12 -0.31 0.00 0.00 0.00 175.10 176.17 1kbw s TYR 250 N 1.96 2.51 -0.21 5.22 1.51 0.70 -0.35 117.35 128.69 1kbw s TYR 250 Ca 0.05 -0.37 -0.37 0.00 -1.01 0.00 0.00 57.07 55.37 1kbw s TYR 250 Cb -0.12 -4.45 -0.14 0.00 -0.11 0.00 0.00 41.96 37.14 1kbw s TYR 250 CO -0.05 -1.84 1.85 0.28 -1.11 0.00 0.00 175.55 174.68 1kbw n VAL 251 N 6.13 0.41 -1.74 0.71 0.31 -0.18 -1.20 118.33 122.77 1kbw n VAL 251 Ca 0.01 -0.10 -0.16 0.00 -0.01 0.00 0.00 64.34 64.08 1kbw n VAL 251 Cb 0.47 -1.53 -0.05 0.00 -0.91 0.00 0.00 33.84 31.82 1kbw n VAL 251 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1kbw n GLU 252 N 6.20 -1.54 -0.93 5.55 1.02 -1.25 -1.37 120.64 128.32 1kbw n GLU 252 Ca 0.26 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 58.29 1kbw n GLU 252 Cb 0.20 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.35 1kbw n GLU 252 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kbw n GLY 253 N -0.47 0.84 0.00 0.62 0.00 -0.34 -4.34 105.19 101.50 1kbw n GLY 253 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1kbw n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbw n GLY 254 N -2.27 0.24 0.12 -0.02 0.00 -0.47 -3.64 105.19 99.15 1kbw n GLY 254 Ca 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 1kbw n GLY 254 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kbw h LYS 255 N 0.00 0.00 -6.66 1.61 3.64 -1.93 -3.41 116.57 109.82 1kbw h LYS 255 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 1kbw h LYS 255 Cb 0.00 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 31.88 1kbw h LYS 255 CO 0.00 0.68 0.94 -1.17 -2.27 0.00 0.00 179.45 177.63 1kbw s LEU 256 N -7.44 4.37 -0.16 5.20 2.96 -1.26 -4.93 118.68 117.43 1kbw s LEU 256 Ca -0.01 2.77 0.01 0.00 -0.22 0.00 0.00 54.13 56.68 1kbw s LEU 256 Cb 0.12 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.21 1kbw s LEU 256 CO 0.77 -0.90 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.11 1kbw s ILE 257 N 0.99 2.49 0.27 6.68 1.01 -1.26 -1.01 121.20 130.37 1kbw s ILE 257 Ca 0.71 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1kbw s ILE 257 Cb -0.47 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 1kbw s ILE 257 CO 0.34 0.52 0.23 0.21 0.00 0.00 0.00 174.94 176.24 1kbw s ASN 258 N 0.89 5.52 0.03 3.58 3.04 0.52 -4.91 114.94 123.61 1kbw s ASN 258 Ca -0.04 -0.29 0.02 0.00 0.04 0.00 0.00 52.86 52.59 1kbw s ASN 258 Cb -0.15 -1.33 -0.02 0.00 -1.54 0.00 0.00 41.25 38.21 1kbw s ASN 258 CO -0.02 -0.12 -0.06 -1.61 -3.04 0.00 0.00 177.10 172.25 1kbw s GLU 259 N -3.89 0.44 -1.03 0.43 2.02 -1.26 -0.88 118.70 114.53 1kbw s GLU 259 Ca 0.35 -0.63 -0.02 0.00 0.02 0.00 0.00 54.97 54.69 1kbw s GLU 259 Cb -0.07 -0.19 -0.02 0.00 0.10 0.00 0.00 34.13 33.94 1kbw s GLU 259 CO 0.26 0.03 0.87 0.09 0.02 0.00 0.00 175.26 176.53 1kbw n ASN 260 N 1.71 -3.46 -4.50 -0.19 5.03 -0.37 -5.00 115.26 108.48 1kbw n ASN 260 Ca -0.22 -0.58 -0.34 0.00 0.87 0.00 0.00 54.58 54.31 1kbw n ASN 260 Cb 0.55 -4.68 -0.12 0.00 -1.02 0.00 0.00 39.78 34.51 1kbw n ASN 260 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1kbw s VAL 261 N -3.33 3.80 0.02 2.41 1.01 -0.96 -4.92 120.40 118.42 1kbw s VAL 261 Ca 0.14 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1kbw s VAL 261 Cb -0.02 -2.64 -0.25 0.00 0.00 0.00 0.00 36.38 33.47 1kbw s VAL 261 CO 0.66 0.51 0.92 0.06 0.00 0.00 0.00 175.10 177.25 1kbw h GLN 262 N 6.47 0.13 -2.40 2.72 3.07 -1.93 -1.39 115.11 121.77 1kbw h GLN 262 Ca -0.33 -0.22 -0.06 0.00 0.09 0.00 0.00 58.65 58.13 1kbw h GLN 262 Cb 1.19 0.08 -0.25 0.00 0.08 0.00 0.00 27.48 28.58 1kbw h GLN 262 CO 0.61 0.94 -0.25 0.45 0.09 0.00 0.00 178.83 180.66 1kbw s SER 263 N -6.71 -0.57 0.13 0.06 0.15 -1.26 -4.44 113.70 101.07 1kbw s SER 263 Ca -0.05 1.13 0.08 0.00 0.70 0.00 0.00 55.95 57.80 1kbw s SER 263 Cb 0.08 1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 65.67 1kbw s SER 263 CO 0.84 -0.22 -0.12 0.42 1.20 0.00 0.00 173.24 175.36 1kbw s THR 264 N 2.14 3.17 -0.01 6.45 -4.23 -0.59 -4.90 115.64 117.67 1kbw s THR 264 Ca -0.06 -1.47 -0.26 0.00 -1.18 0.00 0.00 61.69 58.72 1kbw s THR 264 Cb -0.10 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 1kbw s THR 264 CO -0.15 0.03 0.83 -0.63 -0.54 0.00 0.00 174.62 174.16 1kbw s ILE 265 N -1.37 4.89 -0.29 2.99 -1.09 -1.25 -0.09 121.20 124.99 1kbw s ILE 265 Ca 0.22 1.73 -0.01 0.00 -2.23 0.00 0.00 60.65 60.36 1kbw s ILE 265 Cb -0.10 -4.17 0.05 0.00 -1.58 0.00 0.00 42.46 36.66 1kbw s ILE 265 CO 0.13 0.25 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.38 1kbw s VAL 266 N 0.65 2.82 0.82 2.92 1.01 0.14 -4.70 120.40 124.07 1kbw s VAL 266 Ca 0.43 -1.42 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 1kbw s VAL 266 Cb -0.20 -2.62 0.08 0.00 0.00 0.00 0.00 36.38 33.65 1kbw s VAL 266 CO 0.23 -0.08 1.14 -2.65 0.00 0.00 0.00 175.10 173.74 1kbw n PRO 267 N 4.59 0.09 -2.06 2.72 -0.02 -1.26 -1.68 135.00 137.37 1kbw n PRO 267 Ca -0.13 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.04 1kbw n PRO 267 Cb 0.43 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 1kbw n PRO 267 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kbw s ALA 268 N -2.19 3.56 -1.88 3.55 0.00 -1.26 -0.61 121.76 122.93 1kbw s ALA 268 Ca 0.72 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1kbw s ALA 268 Cb -0.28 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1kbw s ALA 268 CO 0.53 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1kbw n GLY 269 N 1.47 1.70 2.46 0.00 0.00 0.31 -4.95 105.19 106.18 1kbw n GLY 269 Ca 0.03 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1kbw n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbw n GLY 270 N -0.79 3.65 2.48 -0.02 0.00 0.22 -4.74 105.19 105.99 1kbw n GLY 270 Ca -0.18 -2.21 -0.11 0.00 0.00 0.00 0.00 46.02 43.52 1kbw n GLY 270 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kbw n SER 271 N -1.41 -0.97 -3.52 1.61 3.41 -1.26 -0.85 113.62 110.62 1kbw n SER 271 Ca -0.10 -2.41 -0.14 0.00 -0.26 0.00 0.00 58.87 55.95 1kbw n SER 271 Cb 0.44 1.84 -0.05 0.00 -0.26 0.00 0.00 64.21 66.18 1kbw n SER 271 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kbw s ALA 272 N -2.50 -1.80 -0.13 7.33 0.00 0.01 -2.23 121.76 122.44 1kbw s ALA 272 Ca 0.22 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.48 1kbw s ALA 272 Cb -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1kbw s ALA 272 CO 0.16 -0.42 -0.19 0.42 0.00 0.00 0.00 175.76 175.72 1kbw s ILE 273 N -1.60 1.84 0.02 0.00 1.01 -1.23 -0.99 121.20 120.26 1kbw s ILE 273 Ca -0.06 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.83 1kbw s ILE 273 Cb -0.00 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1kbw s ILE 273 CO 0.04 0.51 -0.23 0.68 0.00 0.00 0.00 174.94 175.93 1kbw s VAL 274 N 0.92 1.84 -0.03 2.92 -7.23 -0.87 -0.21 120.40 117.74 1kbw s VAL 274 Ca -0.06 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1kbw s VAL 274 Cb -0.15 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.23 1kbw s VAL 274 CO -0.03 0.35 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.42 1kbw s GLU 275 N -0.98 1.07 -0.04 4.82 2.02 -0.18 -0.33 118.70 125.08 1kbw s GLU 275 Ca 0.09 -0.29 -0.19 0.00 0.02 0.00 0.00 54.97 54.60 1kbw s GLU 275 Cb -0.09 -0.98 0.04 0.00 0.10 0.00 0.00 34.13 33.20 1kbw s GLU 275 CO 0.01 0.07 0.42 -0.59 0.02 0.00 0.00 175.26 175.20 1kbw s PHE 276 N 0.37 -0.35 -0.22 1.61 -0.12 -0.28 -0.59 117.98 118.41 1kbw s PHE 276 Ca -0.06 0.61 -0.12 0.00 -0.05 0.00 0.00 56.93 57.31 1kbw s PHE 276 Cb -0.11 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.42 1kbw s PHE 276 CO 0.01 -0.43 0.21 0.21 -0.05 0.00 0.00 175.22 175.18 1kbw s LYS 277 N -1.08 4.14 -0.61 1.99 2.20 -1.26 0.00 119.74 125.11 1kbw s LYS 277 Ca -0.11 -0.13 -0.19 0.00 -0.36 0.00 0.00 55.97 55.18 1kbw s LYS 277 Cb -0.04 -3.50 0.11 0.00 -1.51 0.00 0.00 37.83 32.89 1kbw s LYS 277 CO 0.05 0.11 0.73 0.08 -0.36 0.00 0.00 175.35 175.96 1kbw s VAL 278 N 0.90 4.81 -1.21 4.02 1.01 -0.60 -4.90 120.40 124.43 1kbw s VAL 278 Ca 0.11 -1.01 0.25 0.00 0.00 0.00 0.00 61.98 61.33 1kbw s VAL 278 Cb -0.13 -4.51 0.08 0.00 0.00 0.00 0.00 36.38 31.82 1kbw s VAL 278 CO 0.04 -1.15 1.46 -0.90 0.00 0.00 0.00 175.10 174.55 1kbw n ASP 279 N 6.36 0.64 -3.84 3.32 3.85 -1.26 0.87 116.55 126.48 1kbw n ASP 279 Ca -0.08 -0.42 -0.13 0.00 -0.71 0.00 0.00 54.79 53.45 1kbw n ASP 279 Cb 0.43 0.21 -0.15 0.00 -1.35 0.00 0.00 41.12 40.26 1kbw n ASP 279 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.20 175.68 1kbw s ILE 280 N -2.86 -0.01 0.90 2.12 2.07 -1.26 -4.44 121.20 117.72 1kbw s ILE 280 Ca 0.15 0.06 -0.12 0.00 -1.41 0.00 0.00 60.65 59.32 1kbw s ILE 280 Cb 0.18 -0.04 0.06 0.00 0.13 0.00 0.00 42.46 42.79 1kbw s ILE 280 CO 0.65 0.03 0.68 -2.65 -1.91 0.00 0.00 174.94 171.74 1kbw n PRO 281 N 3.41 -0.22 -0.08 3.50 -0.02 -1.26 -4.94 135.00 135.39 1kbw n PRO 281 Ca -0.17 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1kbw n PRO 281 Cb 0.57 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1kbw n PRO 281 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kbw n GLY 282 N 1.12 0.95 3.42 -1.23 0.00 -0.85 -4.98 105.19 103.62 1kbw n GLY 282 Ca 0.09 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 1kbw n GLY 282 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kbw s ASN 283 N -1.66 4.85 -0.14 1.61 0.01 -1.26 -1.41 114.94 116.93 1kbw s ASN 283 Ca 0.00 -0.23 -0.02 0.00 -0.71 0.00 0.00 52.86 51.89 1kbw s ASN 283 Cb 0.00 -1.85 -0.02 0.00 0.41 0.00 0.00 41.25 39.79 1kbw s ASN 283 CO 0.00 0.01 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.23 1kbw s TYR 284 N 1.30 2.96 -0.17 2.20 1.51 -0.28 -4.94 117.35 119.92 1kbw s TYR 284 Ca 0.04 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1kbw s TYR 284 Cb -0.15 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1kbw s TYR 284 CO 0.01 -0.07 -0.06 -0.08 -1.11 0.00 0.00 175.55 174.24 1kbw s THR 285 N 0.31 3.49 0.15 -0.71 -1.32 -1.22 0.24 115.64 116.59 1kbw s THR 285 Ca -0.06 -0.48 -0.27 0.00 -1.21 0.00 0.00 61.69 59.68 1kbw s THR 285 Cb -0.15 -2.54 -0.08 0.00 -1.51 0.00 0.00 72.50 68.23 1kbw s THR 285 CO 0.04 0.47 0.82 -0.76 -2.21 0.00 0.00 174.62 172.98 1kbw s LEU 286 N 0.78 4.57 0.17 9.08 1.43 0.35 -0.75 118.68 134.32 1kbw s LEU 286 Ca -0.02 1.68 -0.10 0.00 -1.03 0.00 0.00 54.13 54.66 1kbw s LEU 286 Cb -0.15 -3.37 -0.00 0.00 0.03 0.00 0.00 46.19 42.70 1kbw s LEU 286 CO 0.02 0.14 0.32 0.68 0.23 0.00 0.00 176.35 177.74 1kbw s VAL 287 N -0.86 0.06 -0.27 -1.59 -7.23 -0.12 -1.30 120.40 109.09 1kbw s VAL 287 Ca 0.38 -1.31 -0.17 0.00 -1.81 0.00 0.00 61.98 59.07 1kbw s VAL 287 Cb -0.23 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 1kbw s VAL 287 CO 0.27 -0.26 0.48 -0.62 -0.31 0.00 0.00 175.10 174.66 1kbw s ASP 288 N -2.96 6.38 0.00 4.85 -1.08 -1.23 -1.92 116.67 120.71 1kbw s ASP 288 Ca 0.16 0.40 0.11 0.00 -0.52 0.00 0.00 52.55 52.70 1kbw s ASP 288 Cb 0.03 -2.26 0.64 0.00 -1.46 0.00 0.00 42.92 39.86 1kbw s ASP 288 CO -0.00 -0.29 1.08 1.57 0.52 0.00 0.00 175.17 178.05 1kbw n HIS 289 N 5.52 0.00 -2.16 -5.34 -0.00 0.73 -3.24 115.22 110.73 1kbw n HIS 289 Ca -0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.24 1kbw n HIS 289 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 1kbw n HIS 289 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1kbw n SER 290 N -0.83 4.53 -0.07 0.26 7.64 -1.26 -4.82 113.62 119.08 1kbw n SER 290 Ca 0.08 -2.95 0.03 0.00 1.01 0.00 0.00 58.87 57.04 1kbw n SER 290 Cb 0.04 -1.61 0.06 0.00 -1.01 0.00 0.00 64.21 61.69 1kbw n SER 290 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1kbw n ILE 291 N 4.69 -0.08 0.29 0.44 2.08 -1.20 -1.25 119.36 124.32 1kbw n ILE 291 Ca 0.46 0.42 0.17 0.00 0.56 0.00 0.00 62.75 64.37 1kbw n ILE 291 Cb 0.40 -0.62 0.81 0.00 -0.75 0.00 0.00 39.64 39.48 1kbw n ILE 291 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1kbw h PHE 292 N 0.00 0.00 -0.35 1.39 -1.00 -1.87 -1.74 116.94 113.37 1kbw h PHE 292 Ca 0.12 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.75 1kbw h PHE 292 Cb 0.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1kbw h PHE 292 CO -0.09 0.04 -0.40 0.00 -1.61 0.00 0.00 178.31 176.26 1kbw h ARG 293 N 0.00 0.85 0.37 1.51 3.08 -1.46 -0.90 114.38 117.83 1kbw h ARG 293 Ca -0.00 -0.45 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 1kbw h ARG 293 Cb 0.36 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1kbw h ARG 293 CO 0.01 1.09 -0.18 0.00 -1.07 0.00 0.00 179.97 179.82 1kbw h ALA 294 N 0.84 -0.50 -0.01 0.04 0.00 -1.48 -1.39 119.26 116.77 1kbw h ALA 294 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1kbw h ALA 294 Cb 0.98 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kbw h ALA 294 CO 0.09 -0.55 -0.12 1.19 0.00 0.00 0.00 179.25 179.86 1kbw n PHE 295 N -5.14 0.00 0.00 0.00 3.01 -0.89 -3.51 117.46 110.94 1kbw n PHE 295 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1kbw n PHE 295 Cb 0.27 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1kbw n PHE 295 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1kbw n ASN 296 N -0.50 3.42 -0.23 4.37 3.02 -0.36 -4.83 115.26 120.15 1kbw n ASN 296 Ca 0.16 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.73 1kbw n ASN 296 Cb 0.32 0.57 0.03 0.00 -0.61 0.00 0.00 39.78 40.08 1kbw n ASN 296 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1kbw n LYS 297 N -1.20 0.24 0.00 3.52 5.02 -0.60 -5.00 118.16 120.14 1kbw n LYS 297 Ca 0.00 -0.97 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 1kbw n LYS 297 Cb 0.12 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1kbw n LYS 297 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kbw n GLY 298 N 0.25 0.35 2.68 0.72 0.00 -0.75 -1.20 105.19 107.23 1kbw n GLY 298 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1kbw n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbw n ALA 299 N -1.95 5.42 -3.73 4.61 0.00 0.23 -4.40 120.51 120.70 1kbw n ALA 299 Ca 0.00 -3.34 -0.17 0.00 0.00 0.00 0.00 53.44 49.94 1kbw n ALA 299 Cb 0.00 -3.43 -0.17 0.00 0.00 0.00 0.00 19.45 15.86 1kbw n ALA 299 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1kbw s LEU 300 N 1.09 0.64 0.25 0.00 0.20 -1.26 -3.49 118.68 116.11 1kbw s LEU 300 Ca 0.54 0.09 0.03 0.00 0.69 0.00 0.00 54.13 55.48 1kbw s LEU 300 Cb 0.14 -0.04 -0.05 0.00 -0.43 0.00 0.00 46.19 45.81 1kbw s LEU 300 CO -0.03 -0.18 0.01 -0.83 -0.29 0.00 0.00 176.35 175.03 1kbw s GLY 301 N 1.55 1.66 0.01 7.98 0.00 -0.42 -4.58 107.32 113.52 1kbw s GLY 301 Ca -0.03 -1.82 0.03 0.00 0.00 0.00 0.00 44.72 42.90 1kbw s GLY 301 CO -0.03 -1.69 -0.11 1.20 0.00 0.00 0.00 173.10 172.47 1kbw s GLN 302 N -3.88 0.78 -0.24 2.90 -0.21 0.58 -0.50 119.66 119.09 1kbw s GLN 302 Ca 0.30 -0.52 0.02 0.00 0.02 0.00 0.00 55.36 55.19 1kbw s GLN 302 Cb 0.06 -0.74 0.06 0.00 1.00 0.00 0.00 33.01 33.39 1kbw s GLN 302 CO 0.10 0.19 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.19 1kbw s LEU 303 N -0.68 3.07 -0.27 2.90 2.96 0.14 -0.43 118.68 126.36 1kbw s LEU 303 Ca 0.01 -1.26 -0.16 0.00 -0.22 0.00 0.00 54.13 52.51 1kbw s LEU 303 Cb -0.06 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 1kbw s LEU 303 CO 0.00 -0.18 0.41 -0.54 -1.32 0.00 0.00 176.35 174.71 1kbw s LYS 304 N 1.20 4.00 -0.18 1.98 1.02 0.12 -1.13 119.74 126.75 1kbw s LYS 304 Ca -0.07 0.07 -0.04 0.00 0.02 0.00 0.00 55.97 55.96 1kbw s LYS 304 Cb -0.19 -3.67 -0.02 0.00 -0.52 0.00 0.00 37.83 33.43 1kbw s LYS 304 CO -0.06 -0.31 -0.03 0.08 -0.92 0.00 0.00 175.35 174.11 1kbw s VAL 305 N 2.13 3.83 0.21 3.17 1.01 -0.50 -1.33 120.40 128.91 1kbw s VAL 305 Ca 0.16 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1kbw s VAL 305 Cb -0.16 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1kbw s VAL 305 CO 0.10 0.46 0.30 -1.61 0.00 0.00 0.00 175.10 174.35 1kbw s GLU 306 N 0.71 3.32 0.00 2.72 2.02 -0.06 -2.02 118.70 125.40 1kbw s GLU 306 Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1kbw s GLU 306 Cb -0.14 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.24 1kbw s GLU 306 CO 0.02 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.17 1kbw n GLY 307 N -1.04 0.04 2.78 -1.39 0.00 -1.26 0.39 105.19 104.71 1kbw n GLY 307 Ca -0.08 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 1kbw n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbw s ALA 308 N -1.00 0.52 0.08 4.61 0.00 -1.26 -4.90 121.76 119.81 1kbw s ALA 308 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.80 1kbw s ALA 308 Cb 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 1kbw s ALA 308 CO 0.00 -0.32 0.36 0.39 0.00 0.00 0.00 175.76 176.19 1kbw n GLU 309 N 4.79 0.00 -3.62 0.00 1.02 -1.26 -4.81 120.64 116.76 1kbw n GLU 309 Ca -0.13 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.71 1kbw n GLU 309 Cb 0.50 -0.60 -0.15 0.00 -0.02 0.00 0.00 31.44 31.17 1kbw n GLU 309 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1kbw s ASN 310 N -0.38 3.68 0.30 1.62 3.84 -1.26 -5.00 114.94 117.74 1kbw s ASN 310 Ca 0.38 -1.39 0.21 0.00 0.21 0.00 0.00 52.86 52.27 1kbw s ASN 310 Cb -0.54 -0.54 1.11 0.00 -0.55 0.00 0.00 41.25 40.72 1kbw s ASN 310 CO 0.30 -0.43 1.64 -2.65 -2.79 0.00 0.00 177.10 173.18 1kbw n PRO 311 N 5.10 0.14 0.20 0.43 -0.02 -1.26 -1.44 135.00 138.15 1kbw n PRO 311 Ca -0.05 0.61 0.14 0.00 -2.02 0.00 0.00 63.50 62.18 1kbw n PRO 311 Cb 0.42 -1.93 0.39 0.00 -0.02 0.00 0.00 33.50 32.36 1kbw n PRO 311 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1kbw h GLU 312 N 0.00 0.00 0.01 -0.52 5.08 -2.04 -3.26 114.58 113.85 1kbw h GLU 312 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1kbw h GLU 312 Cb 0.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1kbw h GLU 312 CO 0.00 0.00 -1.65 -0.89 -1.00 0.00 0.00 179.01 175.47 1kbw n ILE 313 N -2.82 1.55 -1.71 3.13 2.08 -0.52 -5.29 119.36 115.79 1kbw n ILE 313 Ca 0.03 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.18 1kbw n ILE 313 Cb 0.41 -1.97 0.00 0.00 -0.75 0.00 0.00 39.64 37.33 1kbw n ILE 313 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91