#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kbw n LEU 14 N 0.00 -3.62 -4.76 4.31 4.77 -1.26 -4.88 117.00 111.57 1kbw n LEU 14 Ca 0.00 2.33 -0.41 0.00 -0.03 0.00 0.00 56.01 57.90 1kbw n LEU 14 Cb 0.00 -2.50 -0.03 0.00 -2.33 0.00 0.00 43.42 38.56 1kbw n LEU 14 CO 0.00 -0.57 0.93 -2.84 -1.33 0.00 0.00 177.39 173.58 1kbw s PRO 15 N -1.28 4.45 -0.23 3.23 0.02 -1.26 -4.72 135.00 135.21 1kbw s PRO 15 Ca 0.00 2.05 -0.12 0.00 0.02 0.00 0.00 61.00 62.95 1kbw s PRO 15 Cb 0.00 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1kbw s PRO 15 CO 0.00 -0.09 0.22 0.08 -0.33 0.00 0.00 177.00 176.88 1kbw s VAL 16 N -0.78 5.32 -0.07 3.83 1.01 -1.26 -1.80 120.40 126.64 1kbw s VAL 16 Ca 0.50 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.82 1kbw s VAL 16 Cb -0.37 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1kbw s VAL 16 CO 0.45 0.31 -0.17 -0.63 0.00 0.00 0.00 175.10 175.07 1kbw s ILE 17 N 1.17 1.49 -0.13 2.22 1.01 -0.77 -5.00 121.20 121.20 1kbw s ILE 17 Ca 0.10 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 1kbw s ILE 17 Cb -0.14 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1kbw s ILE 17 CO 0.06 0.43 1.00 -1.81 0.00 0.00 0.00 174.94 174.62 1kbw s ASP 18 N 0.36 7.21 0.84 3.58 1.01 -1.26 -0.99 116.67 127.42 1kbw s ASP 18 Ca -0.12 1.49 -0.11 0.00 0.71 0.00 0.00 52.55 54.52 1kbw s ASP 18 Cb -0.15 -2.55 0.10 0.00 1.01 0.00 0.00 42.92 41.33 1kbw s ASP 18 CO 0.05 -0.48 1.10 0.00 0.21 0.00 0.00 175.17 176.04 1kbw s ALA 19 N 2.21 1.88 -0.28 5.23 0.00 -0.17 -4.89 121.76 125.73 1kbw s ALA 19 Ca 0.47 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1kbw s ALA 19 Cb -0.18 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.73 1kbw s ALA 19 CO 0.16 -2.12 -0.05 0.08 0.00 0.00 0.00 175.76 173.83 1kbw s VAL 20 N -2.87 2.61 -0.09 0.00 1.01 -1.26 -4.98 120.40 114.82 1kbw s VAL 20 Ca 0.63 -1.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1kbw s VAL 20 Cb -0.18 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1kbw s VAL 20 CO 0.57 -0.08 -0.03 0.42 0.00 0.00 0.00 175.10 175.98 1kbw s THR 21 N 1.18 4.07 0.05 3.92 -4.23 -1.26 -4.62 115.64 114.75 1kbw s THR 21 Ca -0.07 -0.33 0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1kbw s THR 21 Cb -0.20 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 1kbw s THR 21 CO -0.03 0.59 -0.08 0.42 -0.54 0.00 0.00 174.62 174.98 1kbw s THR 22 N -0.69 3.55 0.65 3.99 -4.23 -1.02 -4.84 115.64 113.05 1kbw s THR 22 Ca 0.11 -1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.49 1kbw s THR 22 Cb -0.12 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 1kbw s THR 22 CO 0.02 0.26 1.05 -1.00 -0.54 0.00 0.00 174.62 174.41 1kbw s HIS 23 N -1.11 3.13 0.24 3.99 3.76 -1.26 -1.22 115.29 122.81 1kbw s HIS 23 Ca 0.20 1.44 -0.25 0.00 -0.15 0.00 0.00 55.06 56.30 1kbw s HIS 23 Cb -0.11 -2.90 -0.09 0.00 1.11 0.00 0.00 32.58 30.59 1kbw s HIS 23 CO 0.11 -1.11 0.84 0.00 -0.85 0.00 0.00 174.74 173.73 1kbw s ALA 24 N -2.86 3.35 0.02 -1.40 0.00 -1.26 -2.59 121.76 117.03 1kbw s ALA 24 Ca 0.59 0.41 0.32 0.00 0.00 0.00 0.00 51.96 53.29 1kbw s ALA 24 Cb -0.14 -3.04 1.40 0.00 0.00 0.00 0.00 23.12 21.34 1kbw s ALA 24 CO 0.48 0.25 1.96 -1.35 0.00 0.00 0.00 175.76 177.10 1kbw h PRO 25 N 3.76 0.00 -6.89 0.00 0.11 -1.95 -3.50 132.00 123.53 1kbw h PRO 25 Ca -0.47 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.15 1kbw h PRO 25 Cb 1.20 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 1kbw h PRO 25 CO 0.66 0.00 0.43 -1.21 -0.21 0.00 0.00 178.00 177.67 1kbw s GLU 26 N -3.64 4.37 0.02 1.05 2.02 -1.07 0.57 118.70 122.03 1kbw s GLU 26 Ca 0.01 1.63 0.06 0.00 0.02 0.00 0.00 54.97 56.69 1kbw s GLU 26 Cb 0.09 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 1kbw s GLU 26 CO 0.48 0.02 -0.17 0.08 0.02 0.00 0.00 175.26 175.69 1kbw s VAL 27 N -1.44 2.87 0.87 2.63 1.01 -1.26 -4.56 120.40 120.51 1kbw s VAL 27 Ca 0.52 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1kbw s VAL 27 Cb -0.26 -2.19 0.12 0.00 0.00 0.00 0.00 36.38 34.05 1kbw s VAL 27 CO 0.33 0.39 1.11 -2.84 0.00 0.00 0.00 175.10 174.09 1kbw s PRO 28 N -1.29 1.42 0.47 2.72 0.02 -1.26 -4.94 135.00 132.14 1kbw s PRO 28 Ca 0.14 1.26 -0.24 0.00 0.02 0.00 0.00 61.00 62.18 1kbw s PRO 28 Cb -0.11 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.54 1kbw s PRO 28 CO 0.04 -2.26 1.34 -2.30 -0.33 0.00 0.00 177.00 173.50 1kbw n PRO 29 N -3.95 1.94 -1.75 5.54 -0.02 -1.26 -4.92 135.00 130.58 1kbw n PRO 29 Ca 0.10 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.89 1kbw n PRO 29 Cb 0.53 -2.51 0.04 0.00 -0.02 0.00 0.00 33.50 31.54 1kbw n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kbw n ALA 30 N -0.49 1.68 -2.07 3.55 0.00 -1.26 -4.86 120.51 117.05 1kbw n ALA 30 Ca 0.07 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 1kbw n ALA 30 Cb 0.42 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 1kbw n ALA 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1kbw s ILE 31 N -1.27 3.58 -0.76 0.00 -1.09 -1.26 -4.90 121.20 115.50 1kbw s ILE 31 Ca 0.71 0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 59.73 1kbw s ILE 31 Cb -0.42 -3.72 0.37 0.00 -1.58 0.00 0.00 42.46 37.11 1kbw s ILE 31 CO 0.50 -0.41 1.86 0.47 -1.23 0.00 0.00 174.94 176.12 1kbw n ASP 32 N 9.53 7.01 -3.86 3.58 9.92 -1.26 -4.93 116.55 136.54 1kbw n ASP 32 Ca 0.21 -3.82 -0.11 0.00 -0.53 0.00 0.00 54.79 50.54 1kbw n ASP 32 Cb 0.46 -0.95 -0.10 0.00 -0.64 0.00 0.00 41.12 39.89 1kbw n ASP 32 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kbw s ARG 33 N -3.97 0.48 -0.32 -1.24 1.70 -1.26 -5.07 118.95 109.26 1kbw s ARG 33 Ca 0.52 -0.34 0.10 0.00 -0.47 0.00 0.00 55.73 55.53 1kbw s ARG 33 Cb 0.43 0.20 0.46 0.00 -0.57 0.00 0.00 34.95 35.47 1kbw s ARG 33 CO -0.36 -0.11 1.14 -0.40 -1.08 0.00 0.00 175.30 174.49 1kbw n ASP 34 N 1.55 4.16 -3.79 -2.89 5.75 -1.26 -5.02 116.55 115.04 1kbw n ASP 34 Ca -0.22 -3.42 -0.13 0.00 -0.01 0.00 0.00 54.79 51.01 1kbw n ASP 34 Cb 0.56 -0.40 -0.09 0.00 -1.03 0.00 0.00 41.12 40.15 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 -3.59 -0.13 0.60 2.11 -0.85 -1.26 -5.16 117.35 109.08 1kbw s TYR 35 Ca 0.45 0.19 -0.19 0.00 -0.52 0.00 0.00 57.07 57.00 1kbw s TYR 35 Cb 0.40 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.76 1kbw s TYR 35 CO -0.03 -0.34 1.21 -2.14 -1.52 0.00 0.00 175.55 172.73 1kbw s PRO 36 N -1.23 2.96 0.20 -3.49 0.02 -1.26 -5.01 135.00 127.18 1kbw s PRO 36 Ca -0.13 1.82 -0.12 0.00 0.02 0.00 0.00 61.00 62.59 1kbw s PRO 36 Cb -0.06 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.53 1kbw s PRO 36 CO 0.03 -1.22 0.40 0.00 -0.33 0.00 0.00 177.00 175.88 1kbw s ALA 37 N -1.61 -0.23 -0.41 -1.55 0.00 -1.26 -4.53 121.76 112.16 1kbw s ALA 37 Ca 0.77 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.81 1kbw s ALA 37 Cb -0.30 0.95 0.04 0.00 0.00 0.00 0.00 23.12 23.81 1kbw s ALA 37 CO 0.33 -0.75 0.29 0.21 0.00 0.00 0.00 175.76 175.84 1kbw s LYS 38 N -3.97 2.91 -0.28 0.00 2.20 -0.74 -1.05 119.74 118.80 1kbw s LYS 38 Ca 0.18 -1.12 -0.16 0.00 -0.36 0.00 0.00 55.97 54.51 1kbw s LYS 38 Cb 0.01 -3.93 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 1kbw s LYS 38 CO 0.03 -0.80 0.43 0.08 -0.36 0.00 0.00 175.35 174.73 1kbw s VAL 39 N 1.62 5.13 -0.17 4.02 1.01 0.12 -1.84 120.40 130.29 1kbw s VAL 39 Ca 0.04 0.62 -0.22 0.00 0.00 0.00 0.00 61.98 62.42 1kbw s VAL 39 Cb -0.20 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1kbw s VAL 39 CO 0.08 0.09 0.67 -0.13 0.00 0.00 0.00 175.10 175.82 1kbw s ARG 40 N 2.17 4.26 -0.06 2.72 0.52 -0.16 -0.29 118.95 128.11 1kbw s ARG 40 Ca 0.17 0.72 0.05 0.00 -0.52 0.00 0.00 55.73 56.15 1kbw s ARG 40 Cb -0.16 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 1kbw s ARG 40 CO 0.10 -0.21 -0.21 0.08 0.02 0.00 0.00 175.30 175.08 1kbw s VAL 41 N 1.79 1.77 -0.18 3.52 1.01 0.49 -1.00 120.40 127.79 1kbw s VAL 41 Ca 0.31 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1kbw s VAL 41 Cb -0.16 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1kbw s VAL 41 CO 0.12 0.50 -0.06 -0.54 0.00 0.00 0.00 175.10 175.11 1kbw s LYS 42 N 0.00 3.47 -0.02 2.72 1.02 -1.26 -0.48 119.74 125.19 1kbw s LYS 42 Ca -0.06 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.37 1kbw s LYS 42 Cb -0.13 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 1kbw s LYS 42 CO 0.04 0.02 -0.15 -1.64 -0.92 0.00 0.00 175.35 172.69 1kbw s MET 43 N 0.91 1.28 -0.03 1.68 -1.94 -0.29 -4.97 119.30 115.94 1kbw s MET 43 Ca -0.01 -0.54 0.03 0.00 -1.71 0.00 0.00 55.69 53.47 1kbw s MET 43 Cb -0.15 -1.22 -0.00 0.00 2.01 0.00 0.00 34.83 35.47 1kbw s MET 43 CO 0.01 0.31 -0.13 -2.00 -0.01 0.00 0.00 175.02 173.20 1kbw s GLU 44 N -0.29 1.31 -0.26 2.03 2.12 -1.26 -0.55 118.70 121.81 1kbw s GLU 44 Ca 0.04 -0.45 -0.09 0.00 0.36 0.00 0.00 54.97 54.83 1kbw s GLU 44 Cb -0.07 -1.19 -0.04 0.00 0.26 0.00 0.00 34.13 33.10 1kbw s GLU 44 CO -0.00 0.19 0.11 0.95 -0.54 0.00 0.00 175.26 175.98 1kbw s THR 45 N 0.05 4.71 -0.02 -1.70 -4.23 0.06 0.12 115.64 114.63 1kbw s THR 45 Ca -0.02 -0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.48 1kbw s THR 45 Cb -0.09 -3.21 -0.00 0.00 1.34 0.00 0.00 72.50 70.53 1kbw s THR 45 CO 0.01 0.31 -0.11 0.54 -0.54 0.00 0.00 174.62 174.83 1kbw s VAL 46 N 1.59 0.92 -0.16 2.29 0.11 -0.63 -1.44 120.40 123.08 1kbw s VAL 46 Ca 0.06 -0.46 -0.15 0.00 -2.93 0.00 0.00 61.98 58.51 1kbw s VAL 46 Cb -0.15 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1kbw s VAL 46 CO 0.06 0.27 0.35 -1.61 -3.33 0.00 0.00 175.10 170.85 1kbw s GLU 47 N 0.01 4.27 -0.05 1.54 2.02 -1.26 -1.49 118.70 123.74 1kbw s GLU 47 Ca -0.00 0.19 -0.23 0.00 0.02 0.00 0.00 54.97 54.95 1kbw s GLU 47 Cb -0.07 -3.45 0.05 0.00 0.10 0.00 0.00 34.13 30.76 1kbw s GLU 47 CO 0.00 0.17 0.52 -1.59 0.02 0.00 0.00 175.26 174.38 1kbw s LYS 48 N 0.65 0.87 -0.06 1.61 -2.85 -0.35 -4.96 119.74 114.65 1kbw s LYS 48 Ca 0.19 0.10 -0.22 0.00 -1.00 0.00 0.00 55.97 55.05 1kbw s LYS 48 Cb -0.14 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 1kbw s LYS 48 CO 0.06 -0.25 0.64 0.99 0.10 0.00 0.00 175.35 176.89 1kbw s THR 49 N -1.15 5.03 0.26 3.79 2.01 -1.26 -1.22 115.64 123.10 1kbw s THR 49 Ca -0.11 1.33 0.02 0.00 0.31 0.00 0.00 61.69 63.23 1kbw s THR 49 Cb -0.02 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1kbw s THR 49 CO 0.07 0.30 0.21 -0.04 -0.69 0.00 0.00 174.62 174.47 1kbw s MET 50 N 0.53 1.45 -0.14 4.92 -1.94 -0.71 -4.96 119.30 118.44 1kbw s MET 50 Ca 0.34 -1.77 -0.24 0.00 -1.71 0.00 0.00 55.69 52.32 1kbw s MET 50 Cb -0.17 0.31 -0.02 0.00 2.01 0.00 0.00 34.83 36.95 1kbw s MET 50 CO 0.17 -0.51 0.76 0.21 -0.01 0.00 0.00 175.02 175.63 1kbw s LYS 51 N -3.84 4.33 -0.11 2.03 2.20 -1.26 -1.00 119.74 122.08 1kbw s LYS 51 Ca 0.39 0.90 -0.14 0.00 -0.36 0.00 0.00 55.97 56.76 1kbw s LYS 51 Cb 0.05 -3.54 -0.26 0.00 -1.51 0.00 0.00 37.83 32.57 1kbw s LYS 51 CO 0.18 -0.19 0.48 1.98 -0.36 0.00 0.00 175.35 177.44 1kbw h MET 52 N 7.19 0.24 -3.90 4.03 1.85 -0.76 -3.45 114.93 120.13 1kbw h MET 52 Ca -0.33 -0.40 -0.23 0.00 -0.61 0.00 0.00 59.70 58.12 1kbw h MET 52 Cb 1.15 0.15 -0.06 0.00 0.43 0.00 0.00 31.60 33.28 1kbw h MET 52 CO 0.80 1.19 -0.09 0.34 -0.40 0.00 0.00 176.91 178.75 1kbw s ASP 53 N -7.04 0.79 0.05 1.39 3.68 -1.16 -0.14 116.67 114.23 1kbw s ASP 53 Ca -0.21 -1.44 -0.31 0.00 2.13 0.00 0.00 52.55 52.71 1kbw s ASP 53 Cb 0.05 0.71 -0.10 0.00 -1.45 0.00 0.00 42.92 42.13 1kbw s ASP 53 CO 0.76 -1.40 1.90 -0.67 0.13 0.00 0.00 175.17 175.89 1kbw n ASP 54 N -1.48 3.98 0.00 -0.34 -0.08 -1.26 -1.29 116.55 116.08 1kbw n ASP 54 Ca -0.01 0.95 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 1kbw n ASP 54 Cb 0.61 -1.51 0.00 0.00 2.34 0.00 0.00 41.12 42.56 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 4.37 0.49 3.30 0.27 0.00 -1.26 -4.96 105.19 107.41 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 -2.40 3.03 0.17 1.61 1.01 -0.41 -0.91 120.40 122.50 1kbw s VAL 56 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1kbw s VAL 56 Cb 0.00 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1kbw s VAL 56 CO 0.00 0.48 -0.05 -1.61 0.00 0.00 0.00 175.10 173.92 1kbw s GLU 57 N 1.01 2.23 -0.04 2.72 2.02 -0.14 -0.02 118.70 126.49 1kbw s GLU 57 Ca -0.01 -1.16 -0.06 0.00 0.02 0.00 0.00 54.97 53.76 1kbw s GLU 57 Cb -0.15 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.82 1kbw s GLU 57 CO -0.01 0.45 0.14 -0.47 0.02 0.00 0.00 175.26 175.39 1kbw s TYR 58 N -1.66 -0.09 -0.86 1.61 5.04 -0.17 -0.39 117.35 120.84 1kbw s TYR 58 Ca 0.26 0.20 -0.20 0.00 -2.44 0.00 0.00 57.07 54.89 1kbw s TYR 58 Cb -0.09 0.02 0.10 0.00 0.35 0.00 0.00 41.96 42.34 1kbw s TYR 58 CO 0.17 -0.15 1.12 0.50 -1.34 0.00 0.00 175.55 175.84 1kbw s ARG 59 N -0.46 3.45 0.38 4.97 6.06 -1.26 -1.74 118.95 130.35 1kbw s ARG 59 Ca -0.05 -1.40 -0.20 0.00 -2.50 0.00 0.00 55.73 51.57 1kbw s ARG 59 Cb -0.04 -4.77 -0.10 0.00 0.06 0.00 0.00 34.95 30.11 1kbw s ARG 59 CO 0.01 -1.84 0.89 0.71 -2.50 0.00 0.00 175.30 172.56 1kbw s TYR 60 N 3.39 3.40 -0.25 5.12 1.51 -0.35 -4.90 117.35 125.27 1kbw s TYR 60 Ca 0.31 1.53 -0.03 0.00 -1.01 0.00 0.00 57.07 57.87 1kbw s TYR 60 Cb -0.08 -2.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.01 1kbw s TYR 60 CO -0.04 0.01 -0.03 -1.58 -1.11 0.00 0.00 175.55 172.80 1kbw s TRP 61 N -2.02 3.04 0.30 2.71 0.51 -0.53 -1.22 118.94 121.74 1kbw s TRP 61 Ca 0.57 -1.25 0.07 0.00 -2.12 0.00 0.00 56.10 53.38 1kbw s TRP 61 Cb -0.11 -2.11 -0.06 0.00 -0.81 0.00 0.00 33.47 30.38 1kbw s TRP 61 CO 0.16 -0.64 -0.06 0.95 -0.51 0.00 0.00 176.95 176.85 1kbw s THR 62 N 1.41 1.79 -0.37 2.01 -4.23 -0.56 -2.87 115.64 112.83 1kbw s THR 62 Ca 0.03 -2.14 -0.11 0.00 -1.18 0.00 0.00 61.69 58.29 1kbw s THR 62 Cb -0.16 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.17 1kbw s THR 62 CO -0.03 -0.25 0.21 -0.36 -0.54 0.00 0.00 174.62 173.65 1kbw s PHE 63 N -2.91 3.24 -1.33 3.99 0.08 -1.25 -1.61 117.98 118.18 1kbw s PHE 63 Ca 0.31 -0.90 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 1kbw s PHE 63 Cb 0.04 -2.44 0.00 0.00 -0.57 0.00 0.00 43.02 40.05 1kbw s PHE 63 CO 0.13 -0.63 0.26 -0.25 -0.10 0.00 0.00 175.22 174.64 1kbw n ASP 64 N 5.00 -5.08 0.00 1.36 9.92 0.33 -3.89 116.55 124.19 1kbw n ASP 64 Ca -0.12 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.01 1kbw n ASP 64 Cb 0.46 -4.05 0.00 0.00 -0.64 0.00 0.00 41.12 36.89 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 -1.21 1.15 3.69 0.44 0.00 -1.26 -4.95 105.19 103.06 1kbw n GLY 65 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.33 0.33 -0.13 1.61 -1.08 -1.25 -5.02 116.67 108.80 1kbw s ASP 66 Ca 0.00 -1.25 0.03 0.00 -0.52 0.00 0.00 52.55 50.81 1kbw s ASP 66 Cb 0.00 0.78 0.01 0.00 -1.46 0.00 0.00 42.92 42.25 1kbw s ASP 66 CO 0.00 -1.53 -0.22 -0.69 0.52 0.00 0.00 175.17 173.25 1kbw s VAL 67 N -2.65 2.02 0.72 1.11 1.01 -1.26 -3.91 120.40 117.43 1kbw s VAL 67 Ca 0.21 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1kbw s VAL 67 Cb -0.03 -1.78 0.16 0.00 0.00 0.00 0.00 36.38 34.73 1kbw s VAL 67 CO 0.14 0.55 0.97 -0.81 0.00 0.00 0.00 175.10 175.95 1kbw n PRO 68 N 3.94 -0.81 -1.11 2.72 -0.04 -1.26 -3.18 135.00 135.27 1kbw n PRO 68 Ca -0.20 -1.67 -0.30 0.00 -0.04 0.00 0.00 63.50 61.29 1kbw n PRO 68 Cb 0.52 -0.95 0.23 0.00 -0.04 0.00 0.00 33.50 33.25 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 -5.09 1.58 0.35 0.55 0.00 0.45 -4.68 107.32 100.47 1kbw s GLY 69 Ca 0.57 -0.83 -0.28 0.00 0.00 0.00 0.00 44.72 44.18 1kbw s GLY 69 CO 0.39 -0.00 1.22 0.50 0.00 0.00 0.00 173.10 175.21 1kbw s ARG 70 N -5.32 4.29 0.13 2.90 0.52 -1.26 -4.66 118.95 115.55 1kbw s ARG 70 Ca 0.70 2.01 -0.30 0.00 -0.52 0.00 0.00 55.73 57.62 1kbw s ARG 70 Cb -0.12 -2.95 -0.06 0.00 0.52 0.00 0.00 34.95 32.34 1kbw s ARG 70 CO 0.56 -0.17 1.00 1.41 0.02 0.00 0.00 175.30 178.12 1kbw s MET 71 N -1.91 4.68 -0.07 3.54 -2.45 -0.36 -4.61 119.30 118.12 1kbw s MET 71 Ca 0.51 1.52 -0.01 0.00 -1.25 0.00 0.00 55.69 56.46 1kbw s MET 71 Cb -0.35 -3.35 -0.03 0.00 1.25 0.00 0.00 34.83 32.35 1kbw s MET 71 CO 0.46 0.18 -0.00 0.42 1.05 0.00 0.00 175.02 177.13 1kbw s ILE 72 N -0.09 4.23 -0.13 10.11 1.01 -1.01 -2.44 121.20 132.88 1kbw s ILE 72 Ca 0.47 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 1kbw s ILE 72 Cb -0.25 -2.79 0.04 0.00 0.01 0.00 0.00 42.46 39.46 1kbw s ILE 72 CO 0.31 0.56 -0.01 -0.60 0.00 0.00 0.00 174.94 175.20 1kbw s ARG 73 N -1.02 0.88 0.38 2.79 3.52 -1.26 -0.35 118.95 123.90 1kbw s ARG 73 Ca 0.15 -0.18 0.04 0.00 -0.13 0.00 0.00 55.73 55.60 1kbw s ARG 73 Cb -0.11 -1.53 -0.03 0.00 -1.56 0.00 0.00 34.95 31.72 1kbw s ARG 73 CO 0.04 -0.41 0.15 0.14 -0.81 0.00 0.00 175.30 174.41 1kbw s VAL 74 N 1.85 0.50 -0.00 7.11 -7.23 -0.32 -4.93 120.40 117.37 1kbw s VAL 74 Ca 0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1kbw s VAL 74 Cb -0.14 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1kbw s VAL 74 CO -0.07 0.00 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.10 1kbw s ARG 75 N -3.70 2.72 0.01 4.82 3.52 -1.26 -0.48 118.95 124.58 1kbw s ARG 75 Ca 0.28 -0.64 -0.36 0.00 -0.13 0.00 0.00 55.73 54.88 1kbw s ARG 75 Cb 0.03 -2.62 -0.15 0.00 -1.56 0.00 0.00 34.95 30.65 1kbw s ARG 75 CO 0.17 0.62 1.57 -1.91 -0.81 0.00 0.00 175.30 174.94 1kbw n GLU 76 N 1.47 1.59 0.00 5.12 2.13 0.65 -0.85 120.64 130.75 1kbw n GLU 76 Ca -0.15 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1kbw n GLU 76 Cb 0.53 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.94 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 3.38 0.92 3.78 8.31 0.00 0.38 -4.72 105.19 117.24 1kbw n GLY 77 Ca 0.20 0.00 -0.31 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 -1.78 4.74 -0.23 1.61 -0.00 -0.03 -4.69 116.67 116.30 1kbw s ASP 78 Ca 0.00 1.77 -0.06 0.00 -0.00 0.00 0.00 52.55 54.26 1kbw s ASP 78 Cb 0.00 -2.51 -0.02 0.00 -0.00 0.00 0.00 42.92 40.39 1kbw s ASP 78 CO 0.00 -1.88 0.02 -0.89 -0.00 0.00 0.00 175.17 172.42 1kbw s THR 79 N -2.94 3.92 -0.32 -1.27 2.01 -0.22 -0.93 115.64 115.89 1kbw s THR 79 Ca 0.60 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 62.16 1kbw s THR 79 Cb -0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 1kbw s THR 79 CO 0.56 0.39 0.27 -0.69 -0.69 0.00 0.00 174.62 174.46 1kbw s VAL 80 N 1.42 5.25 -0.29 3.82 1.01 0.11 0.11 120.40 131.82 1kbw s VAL 80 Ca 0.05 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1kbw s VAL 80 Cb -0.15 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1kbw s VAL 80 CO 0.01 0.06 0.13 -0.70 0.00 0.00 0.00 175.10 174.60 1kbw s GLU 81 N 1.84 3.43 -0.20 2.72 2.12 0.60 -1.67 118.70 127.55 1kbw s GLU 81 Ca 0.09 -0.65 -0.07 0.00 0.36 0.00 0.00 54.97 54.70 1kbw s GLU 81 Cb -0.17 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1kbw s GLU 81 CO 0.11 -0.35 0.06 0.08 -0.54 0.00 0.00 175.26 174.62 1kbw s VAL 82 N 1.62 4.55 -0.47 3.70 1.01 0.30 -0.38 120.40 130.73 1kbw s VAL 82 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 1kbw s VAL 82 Cb -0.17 -3.08 0.10 0.00 0.00 0.00 0.00 36.38 33.23 1kbw s VAL 82 CO 0.06 0.41 0.37 -0.70 0.00 0.00 0.00 175.10 175.24 1kbw s GLU 83 N 0.83 2.77 -0.31 2.72 2.12 0.37 -2.11 118.70 125.09 1kbw s GLU 83 Ca 0.03 -1.54 -0.12 0.00 0.36 0.00 0.00 54.97 53.70 1kbw s GLU 83 Cb -0.14 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.20 1kbw s GLU 83 CO 0.02 -1.10 0.24 0.12 -0.54 0.00 0.00 175.26 174.00 1kbw s PHE 84 N 1.51 3.22 -0.09 5.30 5.36 0.12 -1.14 117.98 132.28 1kbw s PHE 84 Ca 0.04 -0.01 0.04 0.00 -0.96 0.00 0.00 56.93 56.04 1kbw s PHE 84 Cb -0.25 -2.46 -0.00 0.00 -0.34 0.00 0.00 43.02 39.97 1kbw s PHE 84 CO 0.03 -0.27 -0.24 -1.12 -1.46 0.00 0.00 175.22 172.16 1kbw s SER 85 N 1.74 3.03 -0.30 6.13 0.01 0.29 0.10 113.70 124.70 1kbw s SER 85 Ca 0.07 -0.54 -0.12 0.00 1.31 0.00 0.00 55.95 56.68 1kbw s SER 85 Cb -0.17 -1.25 -0.04 0.00 0.21 0.00 0.00 66.02 64.78 1kbw s SER 85 CO 0.11 0.18 0.22 0.21 0.41 0.00 0.00 173.24 174.37 1kbw s ASN 86 N 0.23 6.05 0.33 2.44 3.84 -0.65 -0.76 114.94 126.42 1kbw s ASN 86 Ca -0.15 -0.11 -0.27 0.00 0.21 0.00 0.00 52.86 52.54 1kbw s ASN 86 Cb -0.17 -2.13 -0.13 0.00 -0.55 0.00 0.00 41.25 38.27 1kbw s ASN 86 CO 0.08 -0.12 1.04 -3.20 -2.79 0.00 0.00 177.10 172.11 1kbw n ASN 87 N 5.10 1.48 0.15 -4.21 5.15 -0.52 -0.41 115.26 122.00 1kbw n ASN 87 Ca -0.13 1.15 0.19 0.00 -0.60 0.00 0.00 54.58 55.19 1kbw n ASN 87 Cb 0.51 -1.33 0.79 0.00 -0.53 0.00 0.00 39.78 39.22 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 1.96 0.00 -0.01 1.20 0.11 -1.90 -1.51 132.00 131.85 1kbw h PRO 88 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1kbw h PRO 88 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1kbw h PRO 88 CO 0.60 0.00 -0.14 -1.13 -0.21 0.00 0.00 178.00 177.12 1kbw n SER 89 N -3.69 1.26 -4.75 -2.05 3.41 -1.26 -4.49 113.62 102.05 1kbw n SER 89 Ca 0.04 -1.18 -0.36 0.00 -0.26 0.00 0.00 58.87 57.12 1kbw n SER 89 Cb 0.49 0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.27 5.06 0.02 4.04 0.01 -0.57 -4.92 113.70 115.07 1kbw s SER 90 Ca 0.31 2.41 0.22 0.00 1.31 0.00 0.00 55.95 60.19 1kbw s SER 90 Cb 0.20 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.72 1kbw s SER 90 CO 0.43 -1.68 0.86 0.35 0.41 0.00 0.00 173.24 173.62 1kbw n THR 91 N -1.71 0.11 -4.14 1.44 -2.24 -1.26 -4.76 114.28 101.72 1kbw n THR 91 Ca 0.14 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 1kbw n THR 91 Cb 0.49 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.93 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 -3.24 0.08 0.87 2.28 -7.23 -1.26 -5.03 120.40 106.87 1kbw s VAL 92 Ca 0.02 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.19 1kbw s VAL 92 Cb 0.14 -2.12 0.11 0.00 0.56 0.00 0.00 36.38 35.08 1kbw s VAL 92 CO 0.84 -0.36 1.09 -2.84 -0.31 0.00 0.00 175.10 173.53 1kbw s PRO 93 N -4.06 1.47 -0.04 4.82 0.02 -1.26 -4.49 135.00 131.45 1kbw s PRO 93 Ca 0.26 0.77 -0.16 0.00 0.02 0.00 0.00 61.00 61.88 1kbw s PRO 93 Cb 0.07 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.78 1kbw s PRO 93 CO 0.04 -2.08 0.36 -1.01 -0.33 0.00 0.00 177.00 173.98 1kbw s HIS 94 N -3.00 -0.28 0.00 6.54 3.76 -0.83 -4.93 115.29 116.55 1kbw s HIS 94 Ca 0.63 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.03 1kbw s HIS 94 Cb -0.17 0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.66 1kbw s HIS 94 CO 0.56 -0.38 0.00 0.27 -0.85 0.00 0.00 174.74 174.34 1kbw n ASN 95 N 1.50 0.00 -3.77 1.40 0.23 -1.26 -1.30 115.26 112.07 1kbw n ASN 95 Ca -0.20 -0.75 -0.13 0.00 -0.53 0.00 0.00 54.58 52.97 1kbw n ASN 95 Cb 0.56 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.13 1kbw n ASN 95 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1kbw s VAL 96 N -2.06 -0.02 -0.28 3.53 0.11 -1.26 -4.22 120.40 116.19 1kbw s VAL 96 Ca 0.00 0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.12 1kbw s VAL 96 Cb 0.00 -0.28 0.04 0.00 -1.53 0.00 0.00 36.38 34.61 1kbw s VAL 96 CO 0.00 0.04 -0.02 -0.62 -3.33 0.00 0.00 175.10 171.17 1kbw s ASP 97 N 0.71 4.73 -0.25 3.54 3.68 0.53 -2.13 116.67 127.47 1kbw s ASP 97 Ca -0.05 -1.13 -0.16 0.00 2.13 0.00 0.00 52.55 53.34 1kbw s ASP 97 Cb -0.07 -1.70 -0.04 0.00 -1.45 0.00 0.00 42.92 39.66 1kbw s ASP 97 CO -0.04 -0.22 0.41 -0.36 0.13 0.00 0.00 175.17 175.09 1kbw s PHE 98 N 1.28 3.28 -0.71 -5.34 0.40 0.17 -1.59 117.98 115.48 1kbw s PHE 98 Ca -0.03 0.51 0.18 0.00 -0.60 0.00 0.00 56.93 56.98 1kbw s PHE 98 Cb -0.19 -2.60 0.77 0.00 0.51 0.00 0.00 43.02 41.51 1kbw s PHE 98 CO -0.02 -0.19 1.55 0.72 0.70 0.00 0.00 175.22 177.97 1kbw n HIS 99 N 5.19 0.41 0.61 0.36 8.25 -0.38 -1.51 115.22 128.15 1kbw n HIS 99 Ca -0.07 0.17 0.12 0.00 -0.26 0.00 0.00 57.72 57.68 1kbw n HIS 99 Cb 0.51 -0.77 0.27 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.64 2.68 -2.53 -1.41 0.00 -1.26 -4.87 120.51 111.48 1kbw n ALA 100 Ca 0.02 -0.16 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 1kbw n ALA 100 Cb 0.17 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 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 -3.13 3.70 -0.25 0.00 0.00 -0.57 -4.49 121.76 117.02 1kbw s ALA 101 Ca 0.08 -0.30 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 1kbw s ALA 101 Cb 0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 1kbw s ALA 101 CO 0.67 0.53 0.06 0.99 0.00 0.00 0.00 175.76 178.01 1kbw s THR 102 N -1.29 4.26 0.00 0.00 2.01 -1.26 -4.62 115.64 114.74 1kbw s THR 102 Ca 0.30 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1kbw s THR 102 Cb -0.15 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1kbw s THR 102 CO 0.16 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 1kbw n GLY 103 N 4.92 3.62 0.64 4.40 0.00 -1.26 -4.95 105.19 112.56 1kbw n GLY 103 Ca -0.16 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.81 0.00 -1.72 1.61 -0.06 -1.26 0.25 117.38 114.39 1kbw n GLN 104 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.93 1kbw n GLN 104 Cb 0.00 -0.28 -0.02 0.00 -4.06 0.00 0.00 30.24 25.88 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 1.18 0.17 2.42 1.69 0.00 -1.26 -1.01 105.19 108.37 1kbw n GLY 105 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.35 0.00 0.00 -0.02 0.00 0.14 -1.54 105.19 103.42 1kbw n GLY 106 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.83 0.55 0.20 -0.02 0.00 -0.18 -0.65 105.19 104.26 1kbw n GLY 107 Ca -0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 0.61 -0.39 4.61 0.00 -0.74 -1.72 119.26 121.63 1kbw h ALA 108 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1kbw h ALA 108 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1kbw h ALA 108 CO 0.00 0.05 0.07 0.00 0.00 0.00 0.00 179.25 179.37 1kbw h ALA 109 N 1.18 0.51 0.00 0.00 0.00 -1.84 -2.69 119.26 116.42 1kbw h ALA 109 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1kbw h ALA 109 Cb -0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1kbw h ALA 109 CO -0.04 0.21 -0.03 0.00 0.00 0.00 0.00 179.25 179.39 1kbw h ALA 110 N 0.93 1.01 -0.39 0.00 0.00 -1.86 -3.17 119.26 115.78 1kbw h ALA 110 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1kbw h ALA 110 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1kbw h ALA 110 CO 0.01 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.54 1kbw n THR 111 N -3.14 0.86 -1.59 0.00 -2.24 -0.66 -4.59 114.28 102.92 1kbw n THR 111 Ca 0.00 -0.93 -0.43 0.00 -2.27 0.00 0.00 64.05 60.42 1kbw n THR 111 Cb 0.31 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 1kbw n THR 111 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1kbw n PHE 112 N 0.81 1.95 -4.10 4.78 7.35 -1.03 -4.20 117.46 123.02 1kbw n PHE 112 Ca 0.14 -0.11 -0.27 0.00 -0.76 0.00 0.00 57.45 56.45 1kbw n PHE 112 Cb 0.46 -2.72 -0.17 0.00 0.35 0.00 0.00 39.48 37.40 1kbw n PHE 112 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1kbw s THR 113 N 8.26 1.15 0.76 -2.13 2.01 -0.42 -4.96 115.64 120.32 1kbw s THR 113 Ca 1.01 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 62.50 1kbw s THR 113 Cb -0.36 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.08 1kbw s THR 113 CO 0.36 0.38 1.08 0.00 -0.69 0.00 0.00 174.62 175.75 1kbw s ALA 114 N 1.41 2.39 0.38 7.40 0.00 -1.26 -1.97 121.76 130.11 1kbw s ALA 114 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.61 1kbw s ALA 114 Cb -0.13 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 1kbw s ALA 114 CO -0.06 -1.56 1.26 -2.30 0.00 0.00 0.00 175.76 173.11 1kbw n PRO 115 N -3.33 1.99 -0.91 0.00 -0.02 -1.26 -1.95 135.00 129.52 1kbw n PRO 115 Ca 0.07 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1kbw n PRO 115 Cb 0.55 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.82 0.65 3.75 -1.23 0.00 0.45 -4.84 105.19 104.79 1kbw n GLY 116 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.32 2.51 -0.02 1.61 3.52 -0.82 -4.89 118.95 120.54 1kbw s ARG 117 Ca 0.00 -1.39 0.04 0.00 -0.13 0.00 0.00 55.73 54.26 1kbw s ARG 117 Cb 0.00 -2.29 -0.01 0.00 -1.56 0.00 0.00 34.95 31.09 1kbw s ARG 117 CO 0.00 0.22 -0.15 0.99 -0.81 0.00 0.00 175.30 175.56 1kbw s THR 118 N -2.33 1.17 0.18 4.11 2.01 -1.26 -1.64 115.64 117.88 1kbw s THR 118 Ca 0.36 -0.62 0.11 0.00 0.31 0.00 0.00 61.69 61.85 1kbw s THR 118 Cb -0.05 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1kbw s THR 118 CO 0.23 0.34 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.81 1kbw s SER 119 N -0.22 3.37 -0.02 3.53 0.01 0.29 -4.98 113.70 115.68 1kbw s SER 119 Ca 0.03 -0.84 0.01 0.00 1.31 0.00 0.00 55.95 56.46 1kbw s SER 119 Cb -0.07 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.93 1kbw s SER 119 CO -0.00 0.13 -0.02 -0.89 0.41 0.00 0.00 173.24 172.86 1kbw s THR 120 N -1.54 0.29 0.11 1.44 2.01 -1.26 0.16 115.64 116.85 1kbw s THR 120 Ca 0.19 -0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.89 1kbw s THR 120 Cb -0.08 -0.32 0.08 0.00 0.01 0.00 0.00 72.50 72.19 1kbw s THR 120 CO 0.09 0.13 0.66 0.72 -0.69 0.00 0.00 174.62 175.53 1kbw s PHE 121 N 0.55 -0.52 0.06 4.92 -0.12 -0.90 -4.98 117.98 116.99 1kbw s PHE 121 Ca -0.06 0.39 0.01 0.00 -0.05 0.00 0.00 56.93 57.22 1kbw s PHE 121 Cb -0.09 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.81 1kbw s PHE 121 CO -0.01 -0.77 -0.06 -1.54 -0.05 0.00 0.00 175.22 172.79 1kbw s SER 122 N -2.54 0.79 0.06 1.98 1.04 -1.26 -0.54 113.70 113.23 1kbw s SER 122 Ca 0.00 -0.72 -0.07 0.00 0.48 0.00 0.00 55.95 55.65 1kbw s SER 122 Cb -0.01 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1kbw s SER 122 CO -0.10 -0.34 0.12 0.72 0.98 0.00 0.00 173.24 174.62 1kbw s PHE 123 N -2.32 0.21 -0.27 5.02 -0.12 -0.67 -4.97 117.98 114.86 1kbw s PHE 123 Ca -0.03 -0.59 -0.11 0.00 -0.05 0.00 0.00 56.93 56.16 1kbw s PHE 123 Cb -0.04 -0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.17 1kbw s PHE 123 CO -0.03 -0.44 0.17 0.21 -0.05 0.00 0.00 175.22 175.09 1kbw s LYS 124 N -3.26 3.97 -1.02 1.99 2.20 -1.26 0.05 119.74 122.40 1kbw s LYS 124 Ca 0.00 -0.31 -0.23 0.00 -0.36 0.00 0.00 55.97 55.07 1kbw s LYS 124 Cb 0.02 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 1kbw s LYS 124 CO -0.08 -0.11 1.84 0.00 -0.36 0.00 0.00 175.35 176.64 1kbw s ALA 125 N 1.54 2.02 0.18 3.13 0.00 -0.11 -4.66 121.76 123.87 1kbw s ALA 125 Ca 0.07 -1.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.06 1kbw s ALA 125 Cb -0.15 -4.59 0.09 0.00 0.00 0.00 0.00 23.12 18.46 1kbw s ALA 125 CO 0.09 -4.58 1.52 -0.07 0.00 0.00 0.00 175.76 172.72 1kbw h LEU 126 N 16.50 0.76 -8.54 0.00 3.38 -1.86 0.11 115.31 125.66 1kbw h LEU 126 Ca 0.17 -0.36 -0.69 0.00 0.09 0.00 0.00 57.88 57.09 1kbw h LEU 126 Cb 0.98 -0.22 -0.30 0.00 0.09 0.00 0.00 40.66 41.21 1kbw h LEU 126 CO 1.27 1.10 -0.88 -1.10 0.09 0.00 0.00 178.44 178.92 1kbw s GLN 127 N -4.22 2.22 0.66 1.13 -0.21 -1.26 -4.61 119.66 113.37 1kbw s GLN 127 Ca -0.09 -0.90 -0.14 0.00 0.02 0.00 0.00 55.36 54.25 1kbw s GLN 127 Cb 0.12 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 32.09 1kbw s GLN 127 CO 0.85 0.48 1.10 -1.25 -2.12 0.00 0.00 175.29 174.35 1kbw s PRO 128 N -0.43 2.82 0.00 2.91 0.04 -1.26 -4.83 135.00 134.25 1kbw s PRO 128 Ca 0.05 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1kbw s PRO 128 Cb -0.11 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1kbw s PRO 128 CO 0.01 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1kbw n GLY 129 N -0.76 0.95 3.24 0.56 0.00 0.21 -4.95 105.19 104.44 1kbw n GLY 129 Ca 0.10 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 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 4.44 0.02 0.99 2.96 -1.24 -0.71 118.68 125.13 1kbw s LEU 130 Ca 0.00 -1.29 0.04 0.00 -0.22 0.00 0.00 54.13 52.66 1kbw s LEU 130 Cb 0.00 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1kbw s LEU 130 CO 0.00 -0.36 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.29 1kbw s TYR 131 N 1.36 2.87 0.25 5.38 1.51 -0.13 -4.65 117.35 123.94 1kbw s TYR 131 Ca -0.01 -0.05 -0.13 0.00 -1.01 0.00 0.00 57.07 55.87 1kbw s TYR 131 Cb -0.20 -1.59 -0.08 0.00 -0.11 0.00 0.00 41.96 39.98 1kbw s TYR 131 CO 0.01 0.38 0.63 0.42 -1.11 0.00 0.00 175.55 175.89 1kbw s ILE 132 N -1.02 4.80 -0.01 2.71 1.09 -1.26 0.73 121.20 128.23 1kbw s ILE 132 Ca 0.18 0.76 0.02 0.00 -1.10 0.00 0.00 60.65 60.51 1kbw s ILE 132 Cb -0.11 -3.65 -0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1kbw s ILE 132 CO 0.08 -0.05 -0.08 -0.72 -0.10 0.00 0.00 174.94 174.08 1kbw s TYR 133 N -1.81 0.71 0.20 3.97 -0.85 -0.10 -1.25 117.35 118.21 1kbw s TYR 133 Ca 0.48 -0.14 -0.14 0.00 -0.52 0.00 0.00 57.07 56.75 1kbw s TYR 133 Cb -0.12 -0.47 0.01 0.00 0.38 0.00 0.00 41.96 41.76 1kbw s TYR 133 CO 0.19 -0.03 0.44 -3.38 -1.52 0.00 0.00 175.55 171.25 1kbw s HIS 134 N -0.08 0.14 0.37 -3.49 -3.43 -0.62 -0.57 115.29 107.61 1kbw s HIS 134 Ca 0.02 -0.50 -0.26 0.00 -0.80 0.00 0.00 55.06 53.52 1kbw s HIS 134 Cb -0.04 0.21 -0.09 0.00 -1.43 0.00 0.00 32.58 31.23 1kbw s HIS 134 CO -0.00 -0.87 1.12 0.00 -2.00 0.00 0.00 174.74 172.98 1kbw n ALA 136 N 0.34 3.26 -2.33 0.00 0.00 -1.26 -4.55 120.51 115.97 1kbw n ALA 136 Ca 0.03 -2.97 -0.39 0.00 0.00 0.00 0.00 53.44 50.11 1kbw n ALA 136 Cb 0.47 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.42 4.79 0.23 0.00 1.01 -1.26 -4.79 120.40 117.96 1kbw s VAL 137 Ca 0.37 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 1kbw s VAL 137 Cb 0.38 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 1kbw s VAL 137 CO -0.08 0.53 1.32 0.00 0.00 0.00 0.00 175.10 176.87 1kbw s ALA 138 N -0.92 3.54 -0.32 5.51 0.00 -1.26 -2.01 121.76 126.30 1kbw s ALA 138 Ca 0.29 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 53.13 1kbw s ALA 138 Cb -0.19 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.46 1kbw s ALA 138 CO 0.18 -0.57 1.06 -1.25 0.00 0.00 0.00 175.76 175.18 1kbw s PRO 139 N -0.47 4.06 0.25 0.00 0.04 -1.26 -5.04 135.00 132.59 1kbw s PRO 139 Ca 0.55 1.05 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 1kbw s PRO 139 Cb -0.38 -3.73 0.43 0.00 0.04 0.00 0.00 34.50 30.86 1kbw s PRO 139 CO 0.41 -0.88 1.62 0.28 0.04 0.00 0.00 177.00 178.47 1kbw h VAL 140 N 5.72 0.28 -0.71 -0.36 2.07 -1.71 -0.74 116.25 120.79 1kbw h VAL 140 Ca -0.21 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1kbw h VAL 140 Cb 1.06 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1kbw h VAL 140 CO 1.02 0.01 0.47 1.23 0.02 0.00 0.00 177.57 180.32 1kbw h GLY 141 N 0.06 0.99 0.99 2.17 0.00 -1.93 -1.84 103.07 103.51 1kbw h GLY 141 Ca 0.42 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 1kbw h GLY 141 CO -0.73 0.32 -0.19 1.98 0.00 0.00 0.00 176.54 177.93 1kbw h MET 142 N 0.90 0.77 -0.59 4.80 -1.53 -1.49 0.14 114.93 117.93 1kbw h MET 142 Ca 0.27 -0.34 -0.04 0.00 -3.44 0.00 0.00 59.70 56.16 1kbw h MET 142 Cb -0.00 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.00 1kbw h MET 142 CO -0.07 0.96 0.22 0.45 0.14 0.00 0.00 176.91 178.61 1kbw h HIS 143 N 0.56 0.87 -0.05 1.39 3.86 -1.17 -1.03 115.15 119.58 1kbw h HIS 143 Ca 0.08 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1kbw h HIS 143 Cb 0.74 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1kbw h HIS 143 CO 0.06 0.68 -0.16 0.82 0.86 0.00 0.00 177.93 180.19 1kbw h ILE 144 N 0.84 1.46 -0.60 2.45 2.04 -1.19 -2.87 117.51 119.64 1kbw h ILE 144 Ca 0.20 -1.59 0.09 0.00 1.00 0.00 0.00 64.86 64.56 1kbw h ILE 144 Cb 0.19 2.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1kbw h ILE 144 CO -0.02 0.44 0.40 0.00 0.00 0.00 0.00 178.15 178.97 1kbw h ALA 145 N 0.41 1.94 0.00 1.87 0.00 -0.51 -0.59 119.26 122.38 1kbw h ALA 145 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kbw h ALA 145 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1kbw h ALA 145 CO 0.03 -0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.31 1kbw n ASN 146 N -4.47 0.00 0.00 0.00 3.02 -0.41 -4.81 115.26 108.59 1kbw n ASN 146 Ca 0.09 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1kbw n ASN 146 Cb 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.59 1.20 3.43 7.41 0.00 -0.23 -1.45 105.19 116.15 1kbw n GLY 147 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.27 3.30 -3.51 1.61 2.81 -1.09 -4.66 117.12 114.31 1kbw n MET 148 Ca 0.00 -3.56 -0.11 0.00 -1.81 0.00 0.00 57.70 52.22 1kbw n MET 148 Cb 0.00 -3.21 -0.03 0.00 -0.71 0.00 0.00 33.22 29.27 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 -0.40 0.06 2.03 -0.85 -1.26 -1.85 117.35 117.62 1kbw s TYR 149 Ca 0.47 0.14 -0.06 0.00 -0.52 0.00 0.00 57.07 57.10 1kbw s TYR 149 Cb 0.01 0.43 0.02 0.00 0.38 0.00 0.00 41.96 42.81 1kbw s TYR 149 CO 0.03 -0.79 0.28 0.41 -1.52 0.00 0.00 175.55 173.95 1kbw n GLY 150 N -0.32 1.20 3.20 5.49 0.00 0.27 -0.42 105.19 114.61 1kbw n GLY 150 Ca -0.17 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 2.04 -0.18 0.99 1.43 -1.26 -0.92 118.68 120.77 1kbw s LEU 151 Ca 0.06 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1kbw s LEU 151 Cb -0.01 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.24 1kbw s LEU 151 CO 0.02 0.24 -0.20 -0.51 0.23 0.00 0.00 176.35 176.13 1kbw s ILE 152 N -0.47 2.07 -0.25 -0.59 2.07 0.22 -2.39 121.20 121.87 1kbw s ILE 152 Ca 0.07 -0.96 -0.15 0.00 -1.41 0.00 0.00 60.65 58.21 1kbw s ILE 152 Cb -0.07 -1.87 -0.04 0.00 0.13 0.00 0.00 42.46 40.61 1kbw s ILE 152 CO -0.01 0.53 0.39 -0.22 -1.91 0.00 0.00 174.94 173.72 1kbw s LEU 153 N 1.29 4.08 -0.56 8.50 2.96 0.53 -0.95 118.68 134.53 1kbw s LEU 153 Ca 0.05 0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 54.26 1kbw s LEU 153 Cb -0.13 -2.47 0.14 0.00 0.50 0.00 0.00 46.19 44.23 1kbw s LEU 153 CO -0.13 -0.15 0.42 -0.69 -1.32 0.00 0.00 176.35 174.48 1kbw s VAL 154 N 1.82 4.17 0.62 1.68 1.01 0.11 -1.18 120.40 128.64 1kbw s VAL 154 Ca 0.17 -2.23 -0.18 0.00 0.00 0.00 0.00 61.98 59.73 1kbw s VAL 154 Cb -0.15 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1kbw s VAL 154 CO 0.09 -0.83 1.26 -1.61 0.00 0.00 0.00 175.10 174.01 1kbw s GLU 155 N 0.78 2.75 0.74 2.72 2.02 0.36 -0.62 118.70 127.46 1kbw s GLU 155 Ca 0.11 1.96 -0.11 0.00 0.02 0.00 0.00 54.97 56.95 1kbw s GLU 155 Cb -0.22 -1.89 0.04 0.00 0.10 0.00 0.00 34.13 32.16 1kbw s GLU 155 CO -0.03 -1.42 1.08 -2.14 0.02 0.00 0.00 175.26 172.78 1kbw s PRO 156 N -3.35 2.48 0.22 0.39 0.02 -1.26 -0.26 135.00 133.24 1kbw s PRO 156 Ca 0.80 1.13 -0.14 0.00 0.02 0.00 0.00 61.00 62.82 1kbw s PRO 156 Cb -0.34 -1.93 0.26 0.00 0.02 0.00 0.00 34.50 32.51 1kbw s PRO 156 CO 0.37 -1.47 1.61 0.87 -0.33 0.00 0.00 177.00 178.05 1kbw h LYS 157 N -0.92 -0.02 0.00 5.54 1.79 -1.95 0.24 116.57 121.25 1kbw h LYS 157 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1kbw h LYS 157 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1kbw h LYS 157 CO 0.53 -0.01 0.00 0.39 -1.08 0.00 0.00 179.45 179.28 1kbw n GLU 158 N -5.46 0.23 -0.09 3.15 4.71 -1.26 -4.95 120.64 116.97 1kbw n GLU 158 Ca 0.08 0.09 0.01 0.00 -0.01 0.00 0.00 57.16 57.34 1kbw n GLU 158 Cb 0.36 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.28 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 0.61 -1.98 3.93 0.62 0.00 0.84 -4.95 105.19 104.26 1kbw n GLY 159 Ca 0.09 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 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 -5.14 4.30 0.43 0.99 1.43 -1.26 -4.70 118.68 114.73 1kbw s LEU 160 Ca 0.00 0.29 -0.24 0.00 -1.03 0.00 0.00 54.13 53.15 1kbw s LEU 160 Cb 0.00 -3.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.09 1kbw s LEU 160 CO 0.00 0.03 1.10 -2.65 0.23 0.00 0.00 176.35 175.06 1kbw n PRO 161 N -0.45 1.52 -1.94 1.29 -0.02 -1.26 -4.91 135.00 129.22 1kbw n PRO 161 Ca -0.06 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.59 1kbw n PRO 161 Cb 0.53 -2.17 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 -2.13 3.33 0.05 -0.52 -0.14 -1.26 -5.03 119.74 114.05 1kbw s LYS 162 Ca 0.63 2.08 -0.02 0.00 -1.36 0.00 0.00 55.97 57.30 1kbw s LYS 162 Cb -0.53 -2.30 -0.03 0.00 -1.68 0.00 0.00 37.83 33.29 1kbw s LYS 162 CO 0.56 -0.99 0.01 0.08 -0.76 0.00 0.00 175.35 174.26 1kbw s VAL 163 N -1.39 0.18 -0.04 3.17 1.01 -1.26 -5.08 120.40 116.99 1kbw s VAL 163 Ca 0.69 -1.49 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1kbw s VAL 163 Cb -0.36 -1.21 -0.22 0.00 0.00 0.00 0.00 36.38 34.59 1kbw s VAL 163 CO 0.43 -0.82 1.09 0.44 0.00 0.00 0.00 175.10 176.24 1kbw h ASP 164 N 3.42 0.17 -4.20 3.32 3.32 -1.78 -3.46 116.42 117.22 1kbw h ASP 164 Ca -0.33 -0.70 -0.41 0.00 0.02 0.00 0.00 57.03 55.61 1kbw h ASP 164 Cb 1.16 -0.05 -0.27 0.00 0.22 0.00 0.00 39.33 40.39 1kbw h ASP 164 CO 0.59 0.85 -0.78 -0.54 -1.72 0.00 0.00 179.24 177.63 1kbw s LYS 165 N -3.42 0.83 -0.04 3.56 1.02 -0.87 -5.00 119.74 115.81 1kbw s LYS 165 Ca -0.16 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 55.37 1kbw s LYS 165 Cb 0.01 -0.79 0.00 0.00 -0.52 0.00 0.00 37.83 36.53 1kbw s LYS 165 CO 0.72 0.21 -0.15 -1.21 -0.92 0.00 0.00 175.35 174.00 1kbw s GLU 166 N -0.59 1.66 0.08 1.68 2.02 -1.26 -0.36 118.70 121.92 1kbw s GLU 166 Ca 0.02 -0.54 0.07 0.00 0.02 0.00 0.00 54.97 54.55 1kbw s GLU 166 Cb -0.05 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.71 1kbw s GLU 166 CO 0.00 0.19 -0.19 -0.06 0.02 0.00 0.00 175.26 175.22 1kbw s PHE 167 N 0.15 1.65 -0.34 1.61 0.40 -0.53 -4.34 117.98 116.59 1kbw s PHE 167 Ca -0.05 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 55.79 1kbw s PHE 167 Cb -0.12 -0.94 0.03 0.00 0.51 0.00 0.00 43.02 42.51 1kbw s PHE 167 CO 0.02 0.14 0.13 -0.47 0.70 0.00 0.00 175.22 175.73 1kbw s TYR 168 N -1.04 3.23 -0.07 0.36 5.04 0.19 -1.00 117.35 124.07 1kbw s TYR 168 Ca 0.05 -1.21 0.01 0.00 -2.44 0.00 0.00 57.07 53.49 1kbw s TYR 168 Cb -0.09 -2.31 0.02 0.00 0.35 0.00 0.00 41.96 39.92 1kbw s TYR 168 CO 0.03 -0.67 -0.09 0.42 -1.34 0.00 0.00 175.55 173.90 1kbw s ILE 169 N 1.46 0.92 -0.08 3.14 1.09 -0.68 -3.85 121.20 123.21 1kbw s ILE 169 Ca 0.00 -0.32 -0.00 0.00 -1.10 0.00 0.00 60.65 59.23 1kbw s ILE 169 Cb -0.19 -0.89 0.02 0.00 -1.06 0.00 0.00 42.46 40.35 1kbw s ILE 169 CO 0.04 0.32 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.46 1kbw s VAL 170 N 0.97 0.67 0.30 2.92 1.01 -1.26 0.02 120.40 125.05 1kbw s VAL 170 Ca -0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1kbw s VAL 170 Cb -0.15 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 1kbw s VAL 170 CO 0.00 0.29 0.62 -1.58 0.00 0.00 0.00 175.10 174.44 1kbw s GLN 171 N 1.56 3.74 -0.18 2.72 0.74 0.45 -0.55 119.66 128.14 1kbw s GLN 171 Ca -0.00 0.25 -0.27 0.00 0.05 0.00 0.00 55.36 55.39 1kbw s GLN 171 Cb -0.13 -2.57 0.07 0.00 1.10 0.00 0.00 33.01 31.48 1kbw s GLN 171 CO -0.04 0.18 0.70 0.20 -0.55 0.00 0.00 175.29 175.77 1kbw s GLY 172 N -2.87 -0.55 -0.16 2.59 0.00 -0.48 -0.97 107.32 104.87 1kbw s GLY 172 Ca 0.47 1.75 -0.08 0.00 0.00 0.00 0.00 44.72 46.86 1kbw s GLY 172 CO 0.27 1.44 0.12 0.51 0.00 0.00 0.00 173.10 175.43 1kbw s ASP 173 N -0.23 6.13 -0.05 1.64 1.47 0.50 -1.59 116.67 124.54 1kbw s ASP 173 Ca -0.04 0.29 0.04 0.00 1.18 0.00 0.00 52.55 54.02 1kbw s ASP 173 Cb -0.03 -2.03 -0.02 0.00 -0.34 0.00 0.00 42.92 40.50 1kbw s ASP 173 CO 0.04 0.27 -0.17 -0.36 0.68 0.00 0.00 175.17 175.64 1kbw s PHE 174 N -0.20 2.64 -0.35 2.11 0.08 0.21 -4.25 117.98 118.23 1kbw s PHE 174 Ca 0.10 -0.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.81 1kbw s PHE 174 Cb -0.12 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 40.76 1kbw s PHE 174 CO 0.01 0.09 0.11 0.71 -0.10 0.00 0.00 175.22 176.03 1kbw s TYR 175 N -0.56 3.31 -0.08 0.36 1.51 -1.26 -1.29 117.35 119.34 1kbw s TYR 175 Ca 0.08 -1.68 -0.02 0.00 -1.01 0.00 0.00 57.07 54.44 1kbw s TYR 175 Cb -0.11 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 1kbw s TYR 175 CO 0.01 -0.79 0.01 0.99 -1.11 0.00 0.00 175.55 174.66 1kbw s THR 176 N 1.33 4.37 0.10 -0.71 2.01 -1.26 -1.53 115.64 119.95 1kbw s THR 176 Ca -0.01 -0.26 -0.23 0.00 0.31 0.00 0.00 61.69 61.51 1kbw s THR 176 Cb -0.20 -2.85 -0.13 0.00 0.01 0.00 0.00 72.50 69.32 1kbw s THR 176 CO 0.01 0.58 1.73 0.50 -0.69 0.00 0.00 174.62 176.75 1kbw h LYS 177 N 5.05 -0.03 -7.48 4.92 3.64 -1.59 -3.42 116.57 117.65 1kbw h LYS 177 Ca -0.51 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.39 1kbw h LYS 177 Cb 1.19 0.01 0.09 0.00 -0.41 0.00 0.00 32.23 33.11 1kbw h LYS 177 CO 0.55 -0.02 0.40 0.20 -2.27 0.00 0.00 179.45 178.31 1kbw s GLY 178 N -2.25 1.62 0.51 5.01 0.00 -1.26 -5.04 107.32 105.91 1kbw s GLY 178 Ca -0.13 -0.36 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 1kbw s GLY 178 CO 0.66 0.04 0.83 -1.59 0.00 0.00 0.00 173.10 173.05 1kbw s LYS 179 N -5.34 3.55 -0.17 2.90 -2.85 -1.26 -4.90 119.74 111.67 1kbw s LYS 179 Ca 0.59 0.30 -0.39 0.00 -1.00 0.00 0.00 55.97 55.47 1kbw s LYS 179 Cb -0.12 -2.32 -0.18 0.00 -2.06 0.00 0.00 37.83 33.15 1kbw s LYS 179 CO 0.52 -0.27 1.16 1.17 0.10 0.00 0.00 175.35 178.03 1kbw n LYS 180 N -2.34 0.00 0.00 1.78 0.00 -1.26 -0.94 118.16 115.40 1kbw n LYS 180 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 1kbw n LYS 180 Cb 0.55 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 34.20 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 2.23 2.64 3.68 3.14 0.00 -1.26 -5.03 105.19 110.58 1kbw n GLY 181 Ca 0.22 -0.28 -0.50 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.53 -1.32 4.61 0.00 -0.11 -4.91 120.51 119.32 1kbw n ALA 182 Ca 0.00 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 1kbw n ALA 182 Cb 0.00 -2.36 0.09 0.00 0.00 0.00 0.00 19.45 17.18 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 2.97 2.16 0.11 0.00 -1.52 -1.26 -4.75 119.66 117.37 1kbw s GLN 183 Ca 0.90 1.04 0.00 0.00 -1.95 0.00 0.00 55.36 55.35 1kbw s GLN 183 Cb -0.80 -1.90 0.00 0.00 -0.22 0.00 0.00 33.01 30.09 1kbw s GLN 183 CO 0.52 -1.67 0.00 0.41 -0.25 0.00 0.00 175.29 174.30 1kbw n GLY 184 N -1.37 -3.02 3.63 3.09 0.00 -0.09 -4.86 105.19 102.58 1kbw n GLY 184 Ca 0.08 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 3.93 -0.27 0.99 2.96 -1.26 -0.97 118.68 124.07 1kbw s LEU 185 Ca 0.00 1.30 -0.11 0.00 -0.22 0.00 0.00 54.13 55.10 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 -1.04 0.20 -1.10 -1.32 0.00 0.00 176.35 173.09 1kbw s GLN 186 N 4.08 4.00 0.69 1.98 -1.52 0.48 -4.93 119.66 124.44 1kbw s GLN 186 Ca 0.57 -0.27 -0.11 0.00 -1.95 0.00 0.00 55.36 53.59 1kbw s GLN 186 Cb -0.18 -3.62 0.01 0.00 -0.22 0.00 0.00 33.01 29.00 1kbw s GLN 186 CO 0.22 -0.11 1.06 -2.14 -0.25 0.00 0.00 175.29 174.07 1kbw s PRO 187 N 1.56 2.90 0.39 2.91 0.02 -1.26 -4.43 135.00 137.08 1kbw s PRO 187 Ca 0.08 1.01 -0.26 0.00 0.02 0.00 0.00 61.00 61.85 1kbw s PRO 187 Cb -0.15 -1.98 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 1kbw s PRO 187 CO 0.09 -1.13 1.22 0.12 -0.33 0.00 0.00 177.00 176.97 1kbw s PHE 188 N -2.96 3.01 -0.38 6.54 5.36 -1.26 -1.69 117.98 126.60 1kbw s PHE 188 Ca 0.59 1.50 0.01 0.00 -0.96 0.00 0.00 56.93 58.07 1kbw s PHE 188 Cb -0.15 -3.51 0.11 0.00 -0.34 0.00 0.00 43.02 39.13 1kbw s PHE 188 CO 0.53 -1.58 0.13 0.34 -1.46 0.00 0.00 175.22 173.18 1kbw s ASP 189 N -0.92 4.94 0.27 6.13 -1.08 -0.58 -4.66 116.67 120.77 1kbw s ASP 189 Ca 0.55 -2.18 -0.01 0.00 -0.52 0.00 0.00 52.55 50.40 1kbw s ASP 189 Cb -0.34 -1.71 0.50 0.00 -1.46 0.00 0.00 42.92 39.91 1kbw s ASP 189 CO 0.44 -0.43 1.82 -0.03 0.52 0.00 0.00 175.17 177.48 1kbw h MET 190 N 7.70 0.88 -0.66 4.34 1.85 -1.94 -2.29 114.93 124.80 1kbw h MET 190 Ca -0.07 -0.05 -0.06 0.00 -0.61 0.00 0.00 59.70 58.91 1kbw h MET 190 Cb 1.02 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 32.83 1kbw h MET 190 CO 0.60 0.58 0.19 -0.44 -0.40 0.00 0.00 176.91 177.45 1kbw h ASP 191 N 0.91 0.98 -0.12 1.39 3.32 -1.99 -1.26 116.42 119.64 1kbw h ASP 191 Ca 0.46 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 1kbw h ASP 191 Cb 0.46 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1kbw h ASP 191 CO -0.27 0.94 -0.38 0.11 -1.72 0.00 0.00 179.24 177.92 1kbw h LYS 192 N 0.97 0.64 0.26 3.56 1.57 -1.81 -2.15 116.57 119.61 1kbw h LYS 192 Ca 0.21 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1kbw h LYS 192 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1kbw h LYS 192 CO -0.00 0.92 -0.13 0.00 -0.57 0.00 0.00 179.45 179.66 1kbw h ALA 193 N 1.05 -0.36 -0.38 3.86 0.00 -1.09 0.11 119.26 122.44 1kbw h ALA 193 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1kbw h ALA 193 Cb 0.90 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1kbw h ALA 193 CO 0.08 -0.70 0.25 0.28 0.00 0.00 0.00 179.25 179.16 1kbw h VAL 194 N -0.36 1.07 -0.00 0.00 2.07 -1.18 -0.63 116.25 117.21 1kbw h VAL 194 Ca -0.03 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1kbw h VAL 194 Cb 0.28 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1kbw h VAL 194 CO 0.05 0.09 -0.14 0.00 0.02 0.00 0.00 177.57 177.59 1kbw n ALA 195 N -2.49 2.83 -3.32 1.67 0.00 -0.82 -4.94 120.51 113.44 1kbw n ALA 195 Ca 0.03 -0.29 -0.18 0.00 0.00 0.00 0.00 53.44 53.00 1kbw n ALA 195 Cb 0.09 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.92 -6.17 -3.82 0.00 1.02 0.22 -4.98 120.64 106.00 1kbw n GLU 196 Ca 0.14 0.69 -0.28 0.00 -0.02 0.00 0.00 57.16 57.69 1kbw n GLU 196 Cb 0.29 -5.28 -0.12 0.00 -0.02 0.00 0.00 31.44 26.31 1kbw n GLU 196 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1kbw n GLN 197 N -3.98 1.71 -1.99 3.49 1.13 -0.32 -5.02 117.38 112.40 1kbw n GLN 197 Ca -0.08 -4.37 -0.32 0.00 -1.94 0.00 0.00 57.00 50.29 1kbw n GLN 197 Cb 0.58 -2.22 0.01 0.00 0.11 0.00 0.00 30.24 28.73 1kbw n GLN 197 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1kbw s PRO 198 N -1.38 3.29 -0.17 -1.09 0.04 -1.26 -4.71 135.00 129.72 1kbw s PRO 198 Ca 0.27 1.15 0.10 0.00 0.04 0.00 0.00 61.00 62.56 1kbw s PRO 198 Cb -0.02 -2.03 -0.23 0.00 0.04 0.00 0.00 34.50 32.26 1kbw s PRO 198 CO -0.16 -0.83 0.18 0.39 0.04 0.00 0.00 177.00 176.62 1kbw n GLU 199 N -2.18 0.68 -4.87 4.56 -0.58 -0.41 -4.92 120.64 112.92 1kbw n GLU 199 Ca 0.08 0.13 -0.26 0.00 -0.42 0.00 0.00 57.16 56.69 1kbw n GLU 199 Cb 0.53 -1.61 -0.16 0.00 -0.57 0.00 0.00 31.44 29.63 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 -2.53 1.74 -0.22 -0.32 1.51 -1.05 -4.58 117.35 111.90 1kbw s TYR 200 Ca -0.15 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1kbw s TYR 200 Cb 0.07 -1.16 0.06 0.00 -0.11 0.00 0.00 41.96 40.82 1kbw s TYR 200 CO 0.77 -0.15 -0.00 0.08 -1.11 0.00 0.00 175.55 175.15 1kbw s VAL 201 N -0.05 0.99 0.24 0.71 1.01 -0.33 0.68 120.40 123.65 1kbw s VAL 201 Ca -0.02 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1kbw s VAL 201 Cb -0.11 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1kbw s VAL 201 CO 0.02 -0.18 -0.01 0.68 0.00 0.00 0.00 175.10 175.60 1kbw s VAL 202 N 1.64 1.13 -0.17 2.92 -7.23 -0.62 0.62 120.40 118.69 1kbw s VAL 202 Ca -0.03 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.03 1kbw s VAL 202 Cb -0.18 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1kbw s VAL 202 CO -0.08 -0.32 0.04 -0.36 -0.31 0.00 0.00 175.10 174.08 1kbw s PHE 203 N -3.35 3.21 -1.21 2.82 0.08 -1.26 -1.38 117.98 116.89 1kbw s PHE 203 Ca 0.29 0.02 -0.03 0.00 0.12 0.00 0.00 56.93 57.33 1kbw s PHE 203 Cb 0.05 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.45 1kbw s PHE 203 CO 0.09 0.14 0.85 0.09 -0.10 0.00 0.00 175.22 176.30 1kbw n ASN 204 N 3.46 -2.77 0.00 1.36 5.03 0.29 -3.96 115.26 118.68 1kbw n ASN 204 Ca -0.17 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.54 1kbw n ASN 204 Cb 0.52 -4.60 0.00 0.00 -1.02 0.00 0.00 39.78 34.68 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 -1.36 0.82 3.15 7.41 0.00 -1.19 -4.64 105.19 109.39 1kbw n GLY 205 Ca -0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.68 0.23 0.16 1.61 3.76 -1.25 -4.87 115.29 114.25 1kbw s HIS 206 Ca 0.00 -0.63 -0.30 0.00 -0.15 0.00 0.00 55.06 53.97 1kbw s HIS 206 Cb 0.00 -0.15 -0.08 0.00 1.11 0.00 0.00 32.58 33.46 1kbw s HIS 206 CO 0.00 -0.45 1.29 0.08 -0.85 0.00 0.00 174.74 174.81 1kbw s VAL 207 N -3.42 3.40 0.00 -0.90 1.01 0.80 -2.58 120.40 118.71 1kbw s VAL 207 Ca 0.02 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1kbw s VAL 207 Cb 0.03 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1kbw s VAL 207 CO -0.08 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1kbw n GLY 208 N 2.70 0.84 0.36 4.51 0.00 -1.26 -4.78 105.19 107.55 1kbw n GLY 208 Ca 0.07 0.00 0.19 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 2.12 -0.17 4.61 0.00 -1.74 -1.81 119.26 122.27 1kbw h ALA 209 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1kbw h ALA 209 Cb 0.01 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.68 1kbw h ALA 209 CO 0.00 -0.49 -0.65 1.28 0.00 0.00 0.00 179.25 179.39 1kbw n LEU 210 N -4.00 2.94 -4.26 0.00 4.77 -1.26 -4.78 117.00 110.41 1kbw n LEU 210 Ca 0.05 -3.84 -0.14 0.00 -0.03 0.00 0.00 56.01 52.05 1kbw n LEU 210 Cb 0.48 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1kbw n LEU 210 CO 0.31 1.44 -0.26 -0.89 -1.33 0.00 0.00 177.39 176.66 1kbw s THR 211 N -3.18 0.36 0.00 -5.08 2.01 -0.68 0.61 115.64 109.68 1kbw s THR 211 Ca 0.40 -1.99 0.00 0.00 0.31 0.00 0.00 61.69 60.41 1kbw s THR 211 Cb 0.38 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 70.39 1kbw s THR 211 CO -0.06 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 1kbw n GLY 212 N -0.35 3.60 0.21 4.40 0.00 -1.26 -0.53 105.19 111.26 1kbw n GLY 212 Ca -0.00 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.60 1.61 3.32 -1.97 -1.36 116.42 117.41 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 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1kbw n ASN 214 N -2.54 3.72 -4.74 6.45 3.02 0.31 -5.00 115.26 116.48 1kbw n ASN 214 Ca -0.01 -1.99 -0.38 0.00 -0.03 0.00 0.00 54.58 52.17 1kbw n ASN 214 Cb 0.11 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 38.92 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 1.50 1.52 -1.58 5.41 0.00 -0.52 -3.92 120.51 122.91 1kbw n ALA 215 Ca 0.22 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 1kbw n ALA 215 Cb 0.60 -2.35 0.03 0.00 0.00 0.00 0.00 19.45 17.73 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 -3.44 3.42 0.01 0.00 1.43 0.12 -4.84 118.68 115.38 1kbw s LEU 216 Ca 0.72 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.75 1kbw s LEU 216 Cb -0.42 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.25 1kbw s LEU 216 CO 0.49 -1.41 -0.11 -0.54 0.23 0.00 0.00 176.35 175.01 1kbw s LYS 217 N -4.14 0.81 0.20 1.70 1.02 -1.26 -0.41 119.74 117.66 1kbw s LYS 217 Ca 0.65 -0.51 -0.13 0.00 0.02 0.00 0.00 55.97 56.00 1kbw s LYS 217 Cb -0.18 -0.78 0.01 0.00 -0.52 0.00 0.00 37.83 36.36 1kbw s LYS 217 CO 0.40 0.20 0.42 0.00 -0.92 0.00 0.00 175.35 175.45 1kbw s ALA 218 N -0.51 -0.41 0.05 5.17 0.00 -0.80 -4.96 121.76 120.30 1kbw s ALA 218 Ca 0.02 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.40 1kbw s ALA 218 Cb -0.06 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 1kbw s ALA 218 CO 0.00 -0.76 -0.10 0.15 0.00 0.00 0.00 175.76 175.06 1kbw s LYS 219 N -3.94 2.32 0.22 0.00 1.02 -1.26 -1.69 119.74 116.41 1kbw s LYS 219 Ca 0.15 -0.87 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 1kbw s LYS 219 Cb 0.01 -2.38 -0.14 0.00 -0.52 0.00 0.00 37.83 34.80 1kbw s LYS 219 CO 0.01 0.56 1.26 0.00 -0.92 0.00 0.00 175.35 176.26 1kbw n ALA 220 N 1.25 0.21 0.00 5.17 0.00 0.31 -1.76 120.51 125.69 1kbw n ALA 220 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1kbw n ALA 220 Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 1.94 2.06 3.81 0.00 0.00 0.31 -4.96 105.19 108.35 1kbw n GLY 221 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.92 4.08 -0.18 1.61 2.02 -0.72 -4.78 118.70 119.80 1kbw s GLU 222 Ca 0.00 1.26 -0.14 0.00 0.02 0.00 0.00 54.97 56.12 1kbw s GLU 222 Cb 0.00 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1kbw s GLU 222 CO 0.00 -0.18 0.30 -0.08 0.02 0.00 0.00 175.26 175.32 1kbw s THR 223 N -2.02 5.29 -0.10 3.63 -1.32 -1.26 -1.42 115.64 118.43 1kbw s THR 223 Ca 0.63 0.53 0.00 0.00 -1.21 0.00 0.00 61.69 61.64 1kbw s THR 223 Cb -0.14 -3.63 -0.02 0.00 -1.51 0.00 0.00 72.50 67.20 1kbw s THR 223 CO 0.18 0.35 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.14 1kbw s VAL 224 N 0.77 3.30 -0.13 5.08 1.01 0.82 -1.94 120.40 129.30 1kbw s VAL 224 Ca 0.16 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1kbw s VAL 224 Cb -0.13 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 1kbw s VAL 224 CO 0.05 0.55 -0.19 -0.60 0.00 0.00 0.00 175.10 174.91 1kbw s ARG 225 N -0.12 3.15 -0.16 2.72 3.52 0.52 -1.34 118.95 127.23 1kbw s ARG 225 Ca -0.00 -0.80 -0.00 0.00 -0.13 0.00 0.00 55.73 54.79 1kbw s ARG 225 Cb -0.13 -2.48 -0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1kbw s ARG 225 CO 0.03 0.10 -0.14 -1.64 -0.81 0.00 0.00 175.30 172.85 1kbw s MET 226 N 0.58 3.26 -0.55 5.12 -1.94 0.64 -1.45 119.30 124.96 1kbw s MET 226 Ca -0.11 -0.72 -0.20 0.00 -1.71 0.00 0.00 55.69 52.94 1kbw s MET 226 Cb -0.16 -2.68 0.07 0.00 2.01 0.00 0.00 34.83 34.06 1kbw s MET 226 CO 0.04 0.01 0.75 0.71 -0.01 0.00 0.00 175.02 176.52 1kbw s TYR 227 N 0.84 2.94 -0.33 -0.03 1.51 -0.17 -2.02 117.35 120.09 1kbw s TYR 227 Ca -0.04 -0.53 -0.11 0.00 -1.01 0.00 0.00 57.07 55.38 1kbw s TYR 227 Cb -0.15 -3.83 -0.01 0.00 -0.11 0.00 0.00 41.96 37.86 1kbw s TYR 227 CO -0.00 -1.23 0.19 0.08 -1.11 0.00 0.00 175.55 173.48 1kbw s VAL 228 N 3.08 4.85 0.15 0.71 1.01 -0.33 -1.69 120.40 128.17 1kbw s VAL 228 Ca 0.18 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1kbw s VAL 228 Cb -0.19 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1kbw s VAL 228 CO 0.12 -0.00 0.04 -0.83 0.00 0.00 0.00 175.10 174.43 1kbw s GLY 229 N 1.65 1.77 -0.35 4.51 0.00 0.10 -1.17 107.32 113.83 1kbw s GLY 229 Ca 0.05 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.51 1kbw s GLY 229 CO 0.08 -1.27 0.12 0.21 0.00 0.00 0.00 173.10 172.23 1kbw s ASN 230 N -2.86 4.19 0.43 1.64 3.84 -0.48 -0.41 114.94 121.29 1kbw s ASN 230 Ca 0.28 -2.02 0.29 0.00 0.21 0.00 0.00 52.86 51.62 1kbw s ASN 230 Cb -0.10 -1.14 1.08 0.00 -0.55 0.00 0.00 41.25 40.53 1kbw s ASN 230 CO 0.20 -0.37 1.84 1.23 -2.79 0.00 0.00 177.10 177.21 1kbw h GLY 231 N 7.65 0.00 0.00 1.21 0.00 -1.34 0.15 103.07 110.74 1kbw h GLY 231 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1kbw h GLY 231 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.65 1kbw n GLY 232 N 0.28 0.33 0.27 4.60 0.00 -1.25 -4.35 105.19 105.07 1kbw n GLY 232 Ca 0.02 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 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 0.77 0.00 1.61 0.11 -1.86 0.14 132.00 132.77 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 30.89 1kbw h PRO 233 CO 0.00 0.51 -1.91 0.09 -0.21 0.00 0.00 178.00 176.48 1kbw n ASN 234 N -4.71 1.89 -4.82 -2.05 3.02 -1.26 -4.79 115.26 102.54 1kbw n ASN 234 Ca 0.09 -0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.30 1kbw n ASN 234 Cb 0.14 0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 39.96 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 -5.10 3.67 -0.15 3.41 1.43 -1.26 -4.87 118.68 115.80 1kbw s LEU 235 Ca -0.09 1.74 -0.02 0.00 -1.03 0.00 0.00 54.13 54.74 1kbw s LEU 235 Cb 0.04 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 1kbw s LEU 235 CO 0.52 -0.79 -0.09 -0.69 0.23 0.00 0.00 176.35 175.53 1kbw s VAL 236 N -2.37 3.36 -0.05 -1.59 1.01 -1.26 -4.11 120.40 115.39 1kbw s VAL 236 Ca 0.63 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 1kbw s VAL 236 Cb -0.13 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1kbw s VAL 236 CO 0.28 0.50 0.30 -0.55 0.00 0.00 0.00 175.10 175.63 1kbw s SER 237 N 0.54 6.64 -1.03 3.32 0.15 -0.90 -4.92 113.70 117.50 1kbw s SER 237 Ca -0.06 0.76 -0.04 0.00 0.70 0.00 0.00 55.95 57.31 1kbw s SER 237 Cb -0.15 -2.18 0.29 0.00 -1.71 0.00 0.00 66.02 62.27 1kbw s SER 237 CO 0.03 0.35 1.25 -1.20 1.20 0.00 0.00 173.24 174.87 1kbw n SER 238 N 1.94 5.72 -4.74 5.45 7.64 -1.26 -0.54 113.62 127.83 1kbw n SER 238 Ca -0.16 -3.29 -0.42 0.00 1.01 0.00 0.00 58.87 56.01 1kbw n SER 238 Cb 0.53 -1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 62.49 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 1.73 2.84 -3.61 1.43 7.35 0.49 0.32 117.46 128.02 1kbw n PHE 239 Ca 0.25 0.19 -0.16 0.00 -0.76 0.00 0.00 57.45 56.97 1kbw n PHE 239 Cb 0.36 -2.62 -0.07 0.00 0.35 0.00 0.00 39.48 37.50 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 0.32 -0.48 -0.25 -5.13 5.65 -0.86 -1.49 115.29 113.04 1kbw s HIS 240 Ca 0.67 0.79 0.02 0.00 0.25 0.00 0.00 55.06 56.79 1kbw s HIS 240 Cb -0.50 0.30 0.05 0.00 -1.18 0.00 0.00 32.58 31.25 1kbw s HIS 240 CO 0.44 -0.54 -0.11 0.08 -0.65 0.00 0.00 174.74 173.96 1kbw s VAL 241 N -1.32 2.24 0.06 0.89 1.01 -1.26 -0.88 120.40 121.15 1kbw s VAL 241 Ca -0.12 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.07 1kbw s VAL 241 Cb -0.02 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1kbw s VAL 241 CO 0.07 0.06 1.88 -0.63 0.00 0.00 0.00 175.10 176.48 1kbw s ILE 242 N 1.15 2.91 0.00 2.22 1.01 0.19 -1.76 121.20 126.93 1kbw s ILE 242 Ca -0.06 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1kbw s ILE 242 Cb -0.19 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1kbw s ILE 242 CO -0.06 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.49 1kbw n GLY 243 N 4.38 0.71 3.24 6.18 0.00 -1.26 -3.45 105.19 114.99 1kbw n GLY 243 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.81 1.08 -0.00 1.61 2.56 -0.72 -5.08 118.70 117.34 1kbw s GLU 244 Ca 0.00 -1.39 0.04 0.00 0.00 0.00 0.00 54.97 53.62 1kbw s GLU 244 Cb 0.00 0.30 -0.01 0.00 2.00 0.00 0.00 34.13 36.42 1kbw s GLU 244 CO 0.00 -0.35 -0.14 0.42 -0.56 0.00 0.00 175.26 174.62 1kbw s ILE 245 N -4.05 1.13 -0.29 -3.70 1.01 -1.26 -4.65 121.20 109.39 1kbw s ILE 245 Ca 0.25 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.94 1kbw s ILE 245 Cb 0.06 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.57 1kbw s ILE 245 CO 0.04 0.27 1.30 -0.36 0.00 0.00 0.00 174.94 176.19 1kbw s PHE 246 N -0.41 2.69 0.05 3.97 2.99 -0.34 -4.75 117.98 122.18 1kbw s PHE 246 Ca 0.05 0.87 -0.20 0.00 0.00 0.00 0.00 56.93 57.66 1kbw s PHE 246 Cb -0.06 -3.89 -0.13 0.00 0.00 0.00 0.00 43.02 38.94 1kbw s PHE 246 CO -0.00 -1.72 1.38 -0.44 -0.00 0.00 0.00 175.22 174.43 1kbw h ASP 247 N 9.26 0.41 -4.27 1.36 3.32 -1.19 0.14 116.42 125.46 1kbw h ASP 247 Ca -0.26 -0.45 -0.41 0.00 0.02 0.00 0.00 57.03 55.93 1kbw h ASP 247 Cb 1.10 -0.11 -0.26 0.00 0.22 0.00 0.00 39.33 40.27 1kbw h ASP 247 CO 1.03 0.78 -0.78 -0.54 -1.72 0.00 0.00 179.24 178.00 1kbw s LYS 248 N -4.41 0.82 -0.10 3.56 1.02 -0.91 -3.14 119.74 116.58 1kbw s LYS 248 Ca -0.14 -0.59 -0.03 0.00 0.02 0.00 0.00 55.97 55.24 1kbw s LYS 248 Cb 0.06 -0.78 0.04 0.00 -0.52 0.00 0.00 37.83 36.63 1kbw s LYS 248 CO 0.76 0.20 0.05 0.08 -0.92 0.00 0.00 175.35 175.51 1kbw s VAL 249 N -0.66 0.12 -0.76 3.17 1.01 0.23 -1.24 120.40 122.26 1kbw s VAL 249 Ca 0.01 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 1kbw s VAL 249 Cb -0.06 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 35.88 1kbw s VAL 249 CO 0.00 0.03 1.19 -0.31 0.00 0.00 0.00 175.10 176.02 1kbw s TYR 250 N 2.06 2.48 -0.27 5.22 1.51 0.10 -0.09 117.35 128.37 1kbw s TYR 250 Ca 0.03 -0.38 -0.39 0.00 -1.01 0.00 0.00 57.07 55.32 1kbw s TYR 250 Cb -0.14 -4.51 -0.15 0.00 -0.11 0.00 0.00 41.96 37.05 1kbw s TYR 250 CO -0.06 -1.89 1.83 0.28 -1.11 0.00 0.00 175.55 174.60 1kbw n VAL 251 N 6.24 0.33 -2.11 0.71 0.31 0.14 -1.10 118.33 122.84 1kbw n VAL 251 Ca 0.06 -0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 64.15 1kbw n VAL 251 Cb 0.48 -1.35 -0.03 0.00 -0.91 0.00 0.00 33.84 32.03 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 5.99 -1.81 -0.99 5.55 1.02 -1.25 -1.27 120.64 127.88 1kbw n GLU 252 Ca 0.29 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 58.23 1kbw n GLU 252 Cb 0.16 -5.32 0.00 0.00 -0.02 0.00 0.00 31.44 26.26 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 -0.69 0.72 0.00 0.62 0.00 -0.26 -4.34 105.19 101.24 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 -2.45 0.73 0.13 -0.02 0.00 -0.39 -3.60 105.19 99.59 1kbw n GLY 254 Ca 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.41 116.57 109.83 1kbw h LYS 255 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1kbw h LYS 255 Cb 0.00 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1kbw h LYS 255 CO 0.00 0.64 0.84 -1.17 -2.27 0.00 0.00 179.45 177.49 1kbw s LEU 256 N -7.32 4.37 -0.14 5.20 2.96 -1.26 -4.92 118.68 117.57 1kbw s LEU 256 Ca -0.00 2.65 0.02 0.00 -0.22 0.00 0.00 54.13 56.57 1kbw s LEU 256 Cb 0.12 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1kbw s LEU 256 CO 0.76 -0.79 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.18 1kbw s ILE 257 N 0.71 2.33 0.27 6.68 1.01 -1.26 -0.68 121.20 130.25 1kbw s ILE 257 Ca 0.66 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 60.49 1kbw s ILE 257 Cb -0.43 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1kbw s ILE 257 CO 0.36 0.54 0.15 0.21 0.00 0.00 0.00 174.94 176.20 1kbw s ASN 258 N 0.70 5.19 0.03 3.58 3.04 0.87 -4.90 114.94 123.45 1kbw s ASN 258 Ca -0.09 -0.41 0.02 0.00 0.04 0.00 0.00 52.86 52.42 1kbw s ASN 258 Cb -0.16 -1.18 -0.02 0.00 -1.54 0.00 0.00 41.25 38.35 1kbw s ASN 258 CO 0.01 -0.07 -0.06 -1.61 -3.04 0.00 0.00 177.10 172.33 1kbw s GLU 259 N -3.81 0.45 -1.08 0.43 2.02 -1.26 -0.60 118.70 114.85 1kbw s GLU 259 Ca 0.33 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.61 1kbw s GLU 259 Cb -0.07 -0.18 -0.04 0.00 0.10 0.00 0.00 34.13 33.94 1kbw s GLU 259 CO 0.24 0.02 0.92 0.09 0.02 0.00 0.00 175.26 176.55 1kbw n ASN 260 N 1.59 -4.53 -4.41 -0.19 5.03 -0.02 -5.01 115.26 107.72 1kbw n ASN 260 Ca -0.23 -0.65 -0.33 0.00 0.87 0.00 0.00 54.58 54.25 1kbw n ASN 260 Cb 0.55 -5.02 -0.14 0.00 -1.02 0.00 0.00 39.78 34.16 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 -3.36 3.29 0.06 2.41 1.01 -0.86 -4.92 120.40 118.03 1kbw s VAL 261 Ca 0.25 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1kbw s VAL 261 Cb -0.03 -2.39 -0.22 0.00 0.00 0.00 0.00 36.38 33.73 1kbw s VAL 261 CO 0.71 0.52 1.04 0.06 0.00 0.00 0.00 175.10 177.43 1kbw h GLN 262 N 6.61 0.03 -2.32 2.72 3.07 -1.91 -0.88 115.11 122.41 1kbw h GLN 262 Ca -0.28 -0.05 -0.04 0.00 0.09 0.00 0.00 58.65 58.37 1kbw h GLN 262 Cb 1.20 0.02 -0.24 0.00 0.08 0.00 0.00 27.48 28.54 1kbw h GLN 262 CO 0.57 0.85 -0.20 0.45 0.09 0.00 0.00 178.83 180.59 1kbw s SER 263 N -6.54 -0.68 0.16 0.06 0.15 -1.26 -4.40 113.70 101.18 1kbw s SER 263 Ca -0.02 1.21 0.09 0.00 0.70 0.00 0.00 55.95 57.93 1kbw s SER 263 Cb 0.09 1.37 -0.04 0.00 -1.71 0.00 0.00 66.02 65.73 1kbw s SER 263 CO 0.83 -0.22 -0.12 0.42 1.20 0.00 0.00 173.24 175.34 1kbw s THR 264 N 2.06 3.10 -0.07 6.45 -4.23 -0.56 -4.90 115.64 117.50 1kbw s THR 264 Ca -0.07 -1.59 -0.27 0.00 -1.18 0.00 0.00 61.69 58.59 1kbw s THR 264 Cb -0.09 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1kbw s THR 264 CO -0.16 -0.03 0.86 -0.63 -0.54 0.00 0.00 174.62 174.12 1kbw s ILE 265 N -1.51 4.92 -0.32 2.99 -1.09 -1.25 -0.38 121.20 124.56 1kbw s ILE 265 Ca 0.23 1.76 -0.02 0.00 -2.23 0.00 0.00 60.65 60.38 1kbw s ILE 265 Cb -0.09 -4.18 0.06 0.00 -1.58 0.00 0.00 42.46 36.66 1kbw s ILE 265 CO 0.14 0.15 0.05 -0.69 -1.23 0.00 0.00 174.94 173.35 1kbw s VAL 266 N 1.28 3.13 0.75 2.92 1.01 0.30 -4.70 120.40 125.09 1kbw s VAL 266 Ca 0.44 -1.48 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 1kbw s VAL 266 Cb -0.19 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.36 1kbw s VAL 266 CO 0.20 -0.22 1.07 -2.65 0.00 0.00 0.00 175.10 173.50 1kbw n PRO 267 N 4.64 0.45 -2.04 2.72 -0.02 -1.26 -2.11 135.00 137.38 1kbw n PRO 267 Ca -0.11 0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 1kbw n PRO 267 Cb 0.43 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.88 3.55 -1.84 3.55 0.00 -1.26 -0.71 121.76 123.18 1kbw s ALA 268 Ca 0.74 1.33 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1kbw s ALA 268 Cb -0.33 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1kbw s ALA 268 CO 0.50 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1kbw n GLY 269 N 1.27 1.53 0.44 0.00 0.00 0.53 -4.95 105.19 104.01 1kbw n GLY 269 Ca 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.83 4.05 3.23 -0.02 0.00 0.11 -4.75 105.19 106.98 1kbw n GLY 270 Ca -0.18 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.62 -1.52 -3.49 1.61 3.41 -1.26 -1.38 113.62 109.37 1kbw n SER 271 Ca -0.01 -2.68 -0.14 0.00 -0.26 0.00 0.00 58.87 55.78 1kbw n SER 271 Cb 0.08 2.71 -0.04 0.00 -0.26 0.00 0.00 64.21 66.70 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 -2.49 -1.74 -0.13 7.33 0.00 -0.32 -1.76 121.76 122.66 1kbw s ALA 272 Ca 0.23 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1kbw s ALA 272 Cb -0.02 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1kbw s ALA 272 CO 0.17 -0.52 -0.15 0.42 0.00 0.00 0.00 175.76 175.68 1kbw s ILE 273 N -2.19 1.55 0.01 0.00 1.01 -1.24 -1.19 121.20 119.15 1kbw s ILE 273 Ca -0.05 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.03 1kbw s ILE 273 Cb -0.00 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1kbw s ILE 273 CO -0.00 0.45 -0.24 0.68 0.00 0.00 0.00 174.94 175.83 1kbw s VAL 274 N 1.21 1.94 -0.00 2.92 -7.23 -0.86 -0.72 120.40 117.66 1kbw s VAL 274 Ca -0.01 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 59.04 1kbw s VAL 274 Cb -0.14 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 1kbw s VAL 274 CO -0.06 0.44 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.44 1kbw s GLU 275 N -0.84 0.96 -0.05 4.82 2.02 -0.38 -0.26 118.70 124.97 1kbw s GLU 275 Ca 0.10 -0.47 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 1kbw s GLU 275 Cb -0.09 -0.93 0.07 0.00 0.10 0.00 0.00 34.13 33.27 1kbw s GLU 275 CO 0.00 0.25 0.65 -0.59 0.02 0.00 0.00 175.26 175.59 1kbw s PHE 276 N -0.36 -0.62 -0.23 1.61 -0.12 -0.45 -0.64 117.98 117.17 1kbw s PHE 276 Ca 0.04 1.08 -0.11 0.00 -0.05 0.00 0.00 56.93 57.90 1kbw s PHE 276 Cb -0.05 0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 1kbw s PHE 276 CO -0.00 -0.58 0.17 0.21 -0.05 0.00 0.00 175.22 174.97 1kbw s LYS 277 N -1.14 4.11 -0.71 1.99 2.20 -1.26 -0.13 119.74 124.80 1kbw s LYS 277 Ca -0.11 -0.22 -0.19 0.00 -0.36 0.00 0.00 55.97 55.10 1kbw s LYS 277 Cb -0.01 -3.51 0.12 0.00 -1.51 0.00 0.00 37.83 32.93 1kbw s LYS 277 CO 0.09 0.12 0.85 0.08 -0.36 0.00 0.00 175.35 176.13 1kbw s VAL 278 N 0.89 4.82 -2.44 4.02 1.01 -0.51 -4.89 120.40 123.29 1kbw s VAL 278 Ca 0.09 -1.21 0.28 0.00 0.00 0.00 0.00 61.98 61.14 1kbw s VAL 278 Cb -0.13 -4.58 0.58 0.00 0.00 0.00 0.00 36.38 32.24 1kbw s VAL 278 CO 0.03 -1.25 1.79 -0.90 0.00 0.00 0.00 175.10 174.76 1kbw n ASP 279 N 6.31 1.35 -3.74 3.32 3.85 -1.26 0.12 116.55 126.49 1kbw n ASP 279 Ca 0.02 -1.44 -0.12 0.00 -0.71 0.00 0.00 54.79 52.53 1kbw n ASP 279 Cb 0.45 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.11 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 -2.01 -0.01 0.94 2.12 2.07 -1.26 -4.54 121.20 118.50 1kbw s ILE 280 Ca 0.39 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.54 1kbw s ILE 280 Cb 0.21 -0.49 0.07 0.00 0.13 0.00 0.00 42.46 42.38 1kbw s ILE 280 CO 0.34 0.02 0.63 -2.65 -1.91 0.00 0.00 174.94 171.37 1kbw n PRO 281 N 3.34 -0.33 0.00 3.50 -0.02 -1.26 -4.93 135.00 135.30 1kbw n PRO 281 Ca -0.17 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1kbw n PRO 281 Cb 0.57 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.13 1.00 3.51 -1.23 0.00 -0.23 -4.96 105.19 104.41 1kbw n GLY 282 Ca 0.08 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.42 5.22 -0.16 1.61 0.01 -1.26 -0.80 114.94 118.14 1kbw s ASN 283 Ca 0.00 -0.11 -0.01 0.00 -0.71 0.00 0.00 52.86 52.03 1kbw s ASN 283 Cb 0.00 -1.91 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 1kbw s ASN 283 CO 0.00 0.07 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.24 1kbw s TYR 284 N 1.01 2.86 -0.19 2.20 1.51 -0.09 -4.94 117.35 119.71 1kbw s TYR 284 Ca 0.03 -0.77 -0.05 0.00 -1.01 0.00 0.00 57.07 55.27 1kbw s TYR 284 Cb -0.14 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1kbw s TYR 284 CO 0.03 -0.33 -0.01 0.95 -1.11 0.00 0.00 175.55 175.07 1kbw s THR 285 N 0.72 3.88 0.20 -0.71 -4.23 -1.22 0.01 115.64 114.29 1kbw s THR 285 Ca -0.05 -0.34 -0.27 0.00 -1.18 0.00 0.00 61.69 59.85 1kbw s THR 285 Cb -0.15 -2.74 -0.08 0.00 1.34 0.00 0.00 72.50 70.86 1kbw s THR 285 CO 0.02 0.44 0.83 -0.76 -0.54 0.00 0.00 174.62 174.61 1kbw s LEU 286 N 0.91 4.60 0.20 4.79 1.43 -0.36 -0.63 118.68 129.62 1kbw s LEU 286 Ca 0.01 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 54.75 1kbw s LEU 286 Cb -0.14 -3.43 -0.00 0.00 0.03 0.00 0.00 46.19 42.65 1kbw s LEU 286 CO 0.02 0.18 0.37 0.68 0.23 0.00 0.00 176.35 177.83 1kbw s VAL 287 N -1.18 0.04 -0.27 -1.59 -7.23 -0.06 -1.43 120.40 108.68 1kbw s VAL 287 Ca 0.38 -1.33 -0.15 0.00 -1.81 0.00 0.00 61.98 59.07 1kbw s VAL 287 Cb -0.24 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1kbw s VAL 287 CO 0.28 -0.16 0.39 -0.62 -0.31 0.00 0.00 175.10 174.68 1kbw s ASP 288 N -2.98 6.28 0.00 4.85 -1.08 -1.23 -2.04 116.67 120.47 1kbw s ASP 288 Ca 0.19 0.33 0.09 0.00 -0.52 0.00 0.00 52.55 52.63 1kbw s ASP 288 Cb 0.02 -2.22 0.51 0.00 -1.46 0.00 0.00 42.92 39.77 1kbw s ASP 288 CO 0.03 -0.19 1.03 1.57 0.52 0.00 0.00 175.17 178.13 1kbw n HIS 289 N 5.32 0.00 -2.04 -5.34 -0.00 0.15 -3.26 115.22 110.06 1kbw n HIS 289 Ca -0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.22 1kbw n HIS 289 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 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 -0.72 4.54 -0.05 0.26 7.64 -1.26 -4.81 113.62 119.22 1kbw n SER 290 Ca 0.06 -2.98 0.04 0.00 1.01 0.00 0.00 58.87 57.00 1kbw n SER 290 Cb 0.03 -1.56 0.08 0.00 -1.01 0.00 0.00 64.21 61.74 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 4.15 -0.07 0.34 0.44 2.08 -1.20 -1.09 119.36 124.00 1kbw n ILE 291 Ca 0.46 0.34 0.15 0.00 0.56 0.00 0.00 62.75 64.25 1kbw n ILE 291 Cb 0.37 -0.53 0.61 0.00 -0.75 0.00 0.00 39.64 39.35 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 -0.08 1.39 -1.00 -1.87 -1.78 116.94 113.61 1kbw h PHE 292 Ca 0.12 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.68 1kbw h PHE 292 Cb 0.30 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.86 1kbw h PHE 292 CO -0.03 0.00 -0.83 0.00 -1.61 0.00 0.00 178.31 175.83 1kbw h ARG 293 N 0.00 0.58 0.30 1.51 3.08 -1.40 -2.14 114.38 116.31 1kbw h ARG 293 Ca 0.00 -0.52 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 1kbw h ARG 293 Cb 0.39 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1kbw h ARG 293 CO 0.00 1.14 -0.14 0.00 -1.07 0.00 0.00 179.97 179.90 1kbw h ALA 294 N 0.70 -0.40 -0.00 0.04 0.00 -1.48 -1.38 119.26 116.73 1kbw h ALA 294 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1kbw h ALA 294 Cb 1.45 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1kbw h ALA 294 CO 0.16 -0.49 -0.25 1.19 0.00 0.00 0.00 179.25 179.86 1kbw n PHE 295 N -5.08 0.00 0.00 0.00 3.01 -0.97 -3.48 117.46 110.94 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 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.02 4.21 -0.23 4.37 3.02 -0.82 -4.81 115.26 119.99 1kbw n ASN 296 Ca 0.11 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.69 1kbw n ASN 296 Cb 0.32 0.69 0.03 0.00 -0.61 0.00 0.00 39.78 40.21 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 -1.44 -0.01 0.00 3.52 5.02 -0.61 -5.01 118.16 119.63 1kbw n LYS 297 Ca 0.00 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.39 1kbw n LYS 297 Cb 0.15 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 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 0.30 0.34 2.75 0.72 0.00 -0.68 -1.18 105.19 107.43 1kbw n GLY 298 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.93 4.87 -3.70 4.61 0.00 0.20 -4.45 120.51 120.11 1kbw n ALA 299 Ca 0.00 -3.07 -0.19 0.00 0.00 0.00 0.00 53.44 50.18 1kbw n ALA 299 Cb 0.00 -3.38 -0.17 0.00 0.00 0.00 0.00 19.45 15.89 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 0.91 0.42 0.34 0.00 0.20 -1.26 -3.56 118.68 115.73 1kbw s LEU 300 Ca 0.52 0.05 0.05 0.00 0.69 0.00 0.00 54.13 55.44 1kbw s LEU 300 Cb 0.14 -0.17 -0.07 0.00 -0.43 0.00 0.00 46.19 45.66 1kbw s LEU 300 CO 0.00 -0.21 0.03 -0.83 -0.29 0.00 0.00 176.35 175.05 1kbw s GLY 301 N 1.88 2.15 -0.01 7.98 0.00 -0.52 -4.58 107.32 114.22 1kbw s GLY 301 Ca 0.01 -2.10 0.02 0.00 0.00 0.00 0.00 44.72 42.65 1kbw s GLY 301 CO -0.03 -1.89 -0.06 1.20 0.00 0.00 0.00 173.10 172.31 1kbw s GLN 302 N -3.82 0.54 -0.25 2.90 -0.21 0.20 -1.22 119.66 117.80 1kbw s GLN 302 Ca 0.35 -0.21 0.02 0.00 0.02 0.00 0.00 55.36 55.54 1kbw s GLN 302 Cb 0.08 -0.53 0.06 0.00 1.00 0.00 0.00 33.01 33.62 1kbw s GLN 302 CO 0.16 0.12 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.18 1kbw s LEU 303 N -0.05 3.17 -0.25 2.90 2.96 0.10 0.13 118.68 127.64 1kbw s LEU 303 Ca 0.01 -1.33 -0.16 0.00 -0.22 0.00 0.00 54.13 52.43 1kbw s LEU 303 Cb -0.04 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 1kbw s LEU 303 CO -0.00 -0.21 0.41 -0.54 -1.32 0.00 0.00 176.35 174.69 1kbw s LYS 304 N 1.20 4.07 -0.21 1.98 1.02 0.45 -0.91 119.74 127.34 1kbw s LYS 304 Ca -0.08 0.14 -0.04 0.00 0.02 0.00 0.00 55.97 56.01 1kbw s LYS 304 Cb -0.20 -3.62 -0.01 0.00 -0.52 0.00 0.00 37.83 33.48 1kbw s LYS 304 CO -0.05 -0.22 -0.04 0.08 -0.92 0.00 0.00 175.35 174.20 1kbw s VAL 305 N 1.88 3.48 0.20 3.17 1.01 0.02 -1.90 120.40 128.26 1kbw s VAL 305 Ca 0.17 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1kbw s VAL 305 Cb -0.15 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1kbw s VAL 305 CO 0.09 0.43 0.34 -1.61 0.00 0.00 0.00 175.10 174.35 1kbw s GLU 306 N 1.33 3.46 0.00 2.72 2.02 -0.68 -1.07 118.70 126.48 1kbw s GLU 306 Ca 0.04 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1kbw s GLU 306 Cb -0.14 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1kbw s GLU 306 CO -0.02 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1kbw n GLY 307 N -0.87 0.42 3.59 -1.39 0.00 -1.26 0.11 105.19 105.79 1kbw n GLY 307 Ca -0.07 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 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 3.07 -0.21 4.61 0.00 -1.26 -4.77 121.76 122.20 1kbw s ALA 308 Ca 0.00 -0.85 -0.33 0.00 0.00 0.00 0.00 51.96 50.79 1kbw s ALA 308 Cb 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 1kbw s ALA 308 CO 0.00 0.49 2.10 -1.91 0.00 0.00 0.00 175.76 176.44 1kbw n GLU 309 N 2.52 1.76 -3.44 0.00 2.13 -1.26 -4.57 120.64 117.77 1kbw n GLU 309 Ca -0.18 0.55 -0.43 0.00 0.66 0.00 0.00 57.16 57.76 1kbw n GLU 309 Cb 0.53 -2.78 -0.06 0.00 0.27 0.00 0.00 31.44 29.40 1kbw n GLU 309 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1kbw s ASN 310 N 6.53 6.06 0.13 4.31 3.84 -1.26 -4.92 114.94 129.62 1kbw s ASN 310 Ca 1.01 -2.16 0.10 0.00 0.21 0.00 0.00 52.86 52.02 1kbw s ASN 310 Cb -0.63 -2.10 0.52 0.00 -0.55 0.00 0.00 41.25 38.48 1kbw s ASN 310 CO 0.45 -0.68 1.30 -2.65 -2.79 0.00 0.00 177.10 172.73 1kbw n PRO 311 N 4.64 0.06 0.14 0.43 -0.02 -1.25 -1.57 135.00 137.44 1kbw n PRO 311 Ca -0.03 0.54 0.02 0.00 -2.02 0.00 0.00 63.50 62.01 1kbw n PRO 311 Cb 0.42 -1.69 0.07 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.09 -0.52 5.08 -2.04 -3.23 114.58 113.97 1kbw h GLU 312 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1kbw h GLU 312 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1kbw h GLU 312 CO 0.00 0.54 -1.63 0.82 -1.00 0.00 0.00 179.01 177.75 1kbw h ILE 313 N 0.00 1.02 0.00 3.13 5.03 -1.72 -3.56 117.51 121.42 1kbw h ILE 313 Ca -0.01 -2.72 0.00 0.00 -0.12 0.00 0.00 64.86 62.02 1kbw h ILE 313 Cb 1.33 2.66 0.00 0.00 -3.03 0.00 0.00 36.82 37.78 1kbw h ILE 313 CO 0.07 0.78 0.00 0.80 -0.68 0.00 0.00 178.15 179.12