#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be3 n HIS 2 N 0.00 0.00 0.19 1.43 -0.00 -1.26 -2.07 115.22 113.51 1be3 n HIS 2 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 1be3 n HIS 2 Cb 0.00 -0.47 0.13 0.00 -0.00 0.00 0.00 29.99 29.64 1be3 n HIS 2 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1be3 h THR 3 N 0.00 0.13 0.00 0.61 1.35 -2.13 -3.26 112.91 109.61 1be3 h THR 3 Ca 0.00 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1be3 h THR 3 Cb 0.26 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1be3 h THR 3 CO 0.00 0.07 0.00 -0.67 -0.25 0.00 0.00 175.52 174.67 1be3 n ASP 4 N -3.06 0.45 -4.78 5.36 2.03 -0.88 -4.79 116.55 110.88 1be3 n ASP 4 Ca 0.03 -1.39 -0.38 0.00 0.52 0.00 0.00 54.79 53.57 1be3 n ASP 4 Cb 0.57 -0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 40.68 1be3 n ASP 4 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1be3 s ILE 5 N -1.35 4.31 -0.04 5.18 -4.36 -1.23 -5.07 121.20 118.64 1be3 s ILE 5 Ca 0.00 1.71 -0.01 0.00 -0.26 0.00 0.00 60.65 62.09 1be3 s ILE 5 Cb 0.00 -4.06 0.03 0.00 1.25 0.00 0.00 42.46 39.68 1be3 s ILE 5 CO 0.00 0.31 0.06 -1.59 0.24 0.00 0.00 174.94 173.97 1be3 s LYS 6 N -1.67 -0.01 0.13 0.37 0.00 -1.26 -5.11 119.74 112.19 1be3 s LYS 6 Ca 0.43 0.27 -0.31 0.00 0.00 0.00 0.00 55.97 56.36 1be3 s LYS 6 Cb -0.20 -0.26 -0.08 0.00 0.00 0.00 0.00 37.83 37.28 1be3 s LYS 6 CO 0.25 -0.19 1.41 0.08 0.00 0.00 0.00 175.35 176.90 1be3 s VAL 7 N 1.25 3.18 1.00 1.79 1.01 -1.26 -4.95 120.40 122.43 1be3 s VAL 7 Ca -0.07 0.86 -0.19 0.00 0.00 0.00 0.00 61.98 62.58 1be3 s VAL 7 Cb -0.13 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 1be3 s VAL 7 CO -0.04 0.07 -0.71 -2.65 0.00 0.00 0.00 175.10 171.77 1be3 n PRO 8 N 3.79 -0.21 -2.34 2.72 -0.02 -1.26 -4.85 135.00 132.82 1be3 n PRO 8 Ca 0.11 -0.05 -0.43 0.00 -2.02 0.00 0.00 63.50 61.11 1be3 n PRO 8 Cb 0.42 -1.22 -0.02 0.00 -0.02 0.00 0.00 33.50 32.66 1be3 n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1be3 s ASP 9 N -1.26 6.82 0.00 2.55 -1.08 -1.26 -4.85 116.67 117.59 1be3 s ASP 9 Ca 0.43 1.68 0.15 0.00 -0.52 0.00 0.00 52.55 54.29 1be3 s ASP 9 Cb -0.10 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 38.89 1be3 s ASP 9 CO 0.74 -0.87 0.91 0.49 0.52 0.00 0.00 175.17 176.96 1be3 n PHE 10 N 6.99 0.00 -0.37 -5.34 3.72 -1.26 -4.71 117.46 116.48 1be3 n PHE 10 Ca 0.15 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.48 1be3 n PHE 10 Cb 0.45 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 1be3 n PHE 10 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1be3 h SER 11 N 2.46 -1.78 -0.73 4.37 4.64 -1.93 0.69 113.55 121.27 1be3 h SER 11 Ca 0.00 0.31 0.16 0.00 -0.47 0.00 0.00 61.79 61.79 1be3 h SER 11 Cb 0.58 0.84 -0.13 0.00 -0.31 0.00 0.00 62.40 63.38 1be3 h SER 11 CO 0.00 -0.27 -0.05 0.44 -0.87 0.00 0.00 176.83 176.08 1be3 h ASP 12 N -0.04 -0.43 1.18 4.97 5.19 -2.02 -2.50 116.42 122.76 1be3 h ASP 12 Ca 0.24 0.20 -0.15 0.00 -0.62 0.00 0.00 57.03 56.69 1be3 h ASP 12 Cb 0.51 0.37 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 1be3 h ASP 12 CO -0.92 -0.19 -0.73 1.88 -3.12 0.00 0.00 179.24 176.15 1be3 h TYR 13 N 0.07 0.00 -3.15 4.55 0.05 -1.29 -3.46 116.97 113.74 1be3 h TYR 13 Ca 0.38 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.91 1be3 h TYR 13 Cb 0.65 0.00 0.10 0.00 1.01 0.00 0.00 36.73 38.49 1be3 h TYR 13 CO -0.46 0.73 0.24 2.89 -1.05 0.00 0.00 178.16 180.51 1be3 n ARG 14 N -3.33 -0.74 -4.46 4.88 1.85 -0.33 -5.08 116.66 109.45 1be3 n ARG 14 Ca 0.01 -1.24 -0.22 0.00 -1.00 0.00 0.00 57.85 55.40 1be3 n ARG 14 Cb 0.81 -0.80 -0.10 0.00 -1.05 0.00 0.00 32.46 31.32 1be3 n ARG 14 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1be3 s ARG 15 N -4.71 1.71 0.00 2.89 1.70 -1.26 -4.96 118.95 114.32 1be3 s ARG 15 Ca 0.45 -1.98 0.00 0.00 -0.47 0.00 0.00 55.73 53.73 1be3 s ARG 15 Cb -0.01 -0.74 0.00 0.00 -0.57 0.00 0.00 34.95 33.62 1be3 s ARG 15 CO 0.31 -0.28 0.00 -2.30 -1.08 0.00 0.00 175.30 171.95 1be3 n PRO 16 N -0.73 0.00 -0.33 3.89 -0.01 -1.26 -1.89 135.00 134.67 1be3 n PRO 16 Ca -0.03 0.00 0.17 0.00 -0.01 0.00 0.00 63.50 63.63 1be3 n PRO 16 Cb 0.66 0.00 0.33 0.00 -0.01 0.00 0.00 33.50 34.48 1be3 n PRO 16 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1be3 n GLU 17 N -0.05 -0.07 -1.55 -0.52 1.02 -1.26 -1.19 120.64 117.01 1be3 n GLU 17 Ca 0.00 1.41 -0.27 0.00 -0.02 0.00 0.00 57.16 58.28 1be3 n GLU 17 Cb 0.00 -2.29 0.07 0.00 -0.02 0.00 0.00 31.44 29.20 1be3 n GLU 17 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1be3 n VAL 18 N -5.38 3.07 0.93 2.62 0.24 -0.81 -4.68 118.33 114.31 1be3 n VAL 18 Ca 0.25 -3.40 0.10 0.00 -2.04 0.00 0.00 64.34 59.25 1be3 n VAL 18 Cb 0.81 -1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.08 1be3 n VAL 18 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1be3 n LEU 19 N -0.87 1.37 -4.56 1.34 -0.00 -0.34 -4.72 117.00 109.23 1be3 n LEU 19 Ca 0.52 -0.61 -0.29 0.00 -0.00 0.00 0.00 56.01 55.63 1be3 n LEU 19 Cb 0.86 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.24 1be3 n LEU 19 CO 0.57 0.29 1.37 -0.62 -0.00 0.00 0.00 177.39 179.00 1be3 s ASP 20 N -2.62 5.39 0.23 1.96 -1.08 -1.26 -4.89 116.67 114.39 1be3 s ASP 20 Ca 0.12 -0.82 0.01 0.00 -0.52 0.00 0.00 52.55 51.34 1be3 s ASP 20 Cb 0.16 -2.56 0.56 0.00 -1.46 0.00 0.00 42.92 39.62 1be3 s ASP 20 CO 0.68 -2.52 1.16 -1.20 0.52 0.00 0.00 175.17 173.81 1be3 n SER 21 N 13.06 -0.09 -1.70 -0.34 7.64 -1.26 -0.23 113.62 130.71 1be3 n SER 21 Ca 0.39 1.26 -0.08 0.00 1.01 0.00 0.00 58.87 61.45 1be3 n SER 21 Cb 0.48 -0.46 0.24 0.00 -1.01 0.00 0.00 64.21 63.46 1be3 n SER 21 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1be3 n THR 22 N -5.03 2.83 -4.09 0.44 -2.24 -1.26 -4.99 114.28 99.93 1be3 n THR 22 Ca 0.17 -2.03 -0.08 0.00 -2.27 0.00 0.00 64.05 59.84 1be3 n THR 22 Cb 0.57 -0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 1be3 n THR 22 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1be3 s LYS 23 N -3.12 0.77 0.64 -0.78 2.47 0.69 -5.13 119.74 115.27 1be3 s LYS 23 Ca 0.51 -1.29 -0.17 0.00 -1.56 0.00 0.00 55.97 53.46 1be3 s LYS 23 Cb 0.43 0.24 -0.05 0.00 -1.46 0.00 0.00 37.83 36.99 1be3 s LYS 23 CO 0.09 -0.19 0.75 0.45 0.16 0.00 0.00 175.35 176.61 1be3 n SER 24 N 0.01 -0.19 -0.00 1.43 2.88 -1.26 -4.86 113.62 111.62 1be3 n SER 24 Ca -0.11 0.72 0.01 0.00 -1.33 0.00 0.00 58.87 58.16 1be3 n SER 24 Cb 0.62 -1.30 -0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1be3 n SER 24 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1be3 n SER 25 N -0.49 0.15 0.06 -3.46 7.64 -1.26 -4.55 113.62 111.71 1be3 n SER 25 Ca 0.12 -0.57 -0.05 0.00 1.01 0.00 0.00 58.87 59.38 1be3 n SER 25 Cb 0.48 0.91 0.15 0.00 -1.01 0.00 0.00 64.21 64.74 1be3 n SER 25 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1be3 h LYS 26 N 0.02 0.33 -0.53 1.43 3.64 -1.99 0.30 116.57 119.79 1be3 h LYS 26 Ca 0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1be3 h LYS 26 Cb 0.03 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1be3 h LYS 26 CO 0.00 0.76 0.00 0.39 -2.27 0.00 0.00 179.45 178.33 1be3 n GLU 27 N -3.96 2.51 -0.02 1.90 -0.58 -1.26 -4.03 120.64 115.19 1be3 n GLU 27 Ca -0.02 -2.31 -0.02 0.00 -0.42 0.00 0.00 57.16 54.39 1be3 n GLU 27 Cb 0.55 -1.52 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 1be3 n GLU 27 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1be3 n SER 28 N 1.43 0.53 0.02 1.62 7.64 -0.77 -4.72 113.62 119.36 1be3 n SER 28 Ca 0.21 0.09 0.22 0.00 1.01 0.00 0.00 58.87 60.40 1be3 n SER 28 Cb 0.58 -0.55 0.67 0.00 -1.01 0.00 0.00 64.21 63.90 1be3 n SER 28 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1be3 h SER 29 N -0.26 0.00 -0.94 6.43 0.02 -0.61 -3.17 113.55 115.01 1be3 h SER 29 Ca 0.00 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.24 1be3 h SER 29 Cb 0.26 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.63 1be3 h SER 29 CO 0.00 0.00 0.13 -0.62 -1.14 0.00 0.00 176.83 175.20 1be3 n GLU 30 N -3.55 -0.07 0.08 3.45 -0.58 -1.26 -0.91 120.64 117.80 1be3 n GLU 30 Ca 0.11 1.39 -0.22 0.00 -0.42 0.00 0.00 57.16 58.02 1be3 n GLU 30 Cb 0.86 -2.27 -0.15 0.00 -0.57 0.00 0.00 31.44 29.31 1be3 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1be3 h ALA 31 N 1.89 -0.07 -0.25 0.62 0.00 -1.92 -3.27 119.26 116.25 1be3 h ALA 31 Ca 0.62 -0.83 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1be3 h ALA 31 Cb 1.39 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1be3 h ALA 31 CO -0.85 0.57 0.24 0.07 0.00 0.00 0.00 179.25 179.28 1be3 h ARG 32 N -0.16 0.00 -0.01 0.00 0.11 -1.19 0.97 114.38 114.10 1be3 h ARG 32 Ca -0.21 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.86 1be3 h ARG 32 Cb 1.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.94 1be3 h ARG 32 CO 0.18 0.00 -0.02 0.87 0.10 0.00 0.00 179.97 181.11 1be3 h LYS 33 N 0.00 0.03 -0.44 0.08 1.57 -1.49 -3.23 116.57 113.09 1be3 h LYS 33 Ca 0.12 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1be3 h LYS 33 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1be3 h LYS 33 CO -0.00 0.59 0.29 0.78 -0.57 0.00 0.00 179.45 180.54 1be3 h GLY 34 N -0.53 0.60 0.67 3.86 0.00 0.44 0.52 103.07 108.62 1be3 h GLY 34 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1be3 h GLY 34 CO 0.00 0.21 -0.08 -2.75 0.00 0.00 0.00 176.54 173.92 1be3 h PHE 35 N 0.56 0.26 -0.76 5.60 3.57 0.45 0.99 116.94 127.62 1be3 h PHE 35 Ca 0.17 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1be3 h PHE 35 Cb -0.01 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1be3 h PHE 35 CO -0.00 0.62 0.33 0.77 -2.23 0.00 0.00 178.31 177.80 1be3 h SER 36 N -0.18 1.02 1.50 0.41 0.02 -1.46 -0.50 113.55 114.37 1be3 h SER 36 Ca 0.02 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1be3 h SER 36 Cb 0.57 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1be3 h SER 36 CO 0.02 0.90 0.00 1.88 -1.14 0.00 0.00 176.83 178.49 1be3 h TYR 37 N 1.08 0.00 -0.34 3.45 0.05 -0.94 -2.67 116.97 117.60 1be3 h TYR 37 Ca 0.26 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.94 1be3 h TYR 37 Cb 0.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1be3 h TYR 37 CO 0.02 0.00 -0.16 1.25 -1.05 0.00 0.00 178.16 178.22 1be3 h LEU 38 N 0.00 0.73 -0.51 3.88 5.85 0.73 0.07 115.31 126.06 1be3 h LEU 38 Ca 0.00 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1be3 h LEU 38 Cb 0.75 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1be3 h LEU 38 CO 0.00 0.97 0.30 0.58 -0.34 0.00 0.00 178.44 179.95 1be3 h VAL 39 N 0.49 1.16 0.21 1.05 2.07 -0.92 -2.17 116.25 118.15 1be3 h VAL 39 Ca 0.08 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1be3 h VAL 39 Cb 0.69 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1be3 h VAL 39 CO 0.05 0.17 -0.38 0.74 0.02 0.00 0.00 177.57 178.17 1be3 h THR 40 N 0.68 0.23 -0.92 2.57 2.02 -1.15 -2.08 112.91 114.25 1be3 h THR 40 Ca 0.18 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.63 1be3 h THR 40 Cb 0.01 0.23 -0.16 0.00 -1.74 0.00 0.00 68.15 66.49 1be3 h THR 40 CO -0.03 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.04 1be3 h ALA 41 N -0.16 1.30 0.26 6.16 0.00 -0.58 0.10 119.26 126.35 1be3 h ALA 41 Ca 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1be3 h ALA 41 Cb 0.66 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1be3 h ALA 41 CO -0.16 -0.56 -0.12 1.15 0.00 0.00 0.00 179.25 179.56 1be3 h THR 42 N 0.11 0.00 -0.38 0.00 2.02 -1.15 -1.78 112.91 111.73 1be3 h THR 42 Ca 0.59 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.63 1be3 h THR 42 Cb 1.25 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1be3 h THR 42 CO -0.77 0.00 -0.22 0.41 0.37 0.00 0.00 175.52 175.31 1be3 n THR 43 N -3.43 -0.26 -0.33 3.16 -1.04 -0.75 0.35 114.28 111.99 1be3 n THR 43 Ca -0.04 1.08 0.03 0.00 -2.04 0.00 0.00 64.05 63.09 1be3 n THR 43 Cb 0.14 -1.36 0.18 0.00 -1.82 0.00 0.00 70.33 67.47 1be3 n THR 43 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1be3 h THR 44 N 0.00 0.97 -0.07 12.58 2.02 -0.83 -2.55 112.91 125.03 1be3 h THR 44 Ca 0.06 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 1be3 h THR 44 Cb 0.15 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 1be3 h THR 44 CO -0.35 0.17 -0.62 0.58 0.37 0.00 0.00 175.52 175.67 1be3 h VAL 45 N 0.95 1.39 -0.13 3.16 2.07 0.69 -1.39 116.25 123.00 1be3 h VAL 45 Ca 0.42 -2.02 -0.13 0.00 0.82 0.00 0.00 66.70 65.80 1be3 h VAL 45 Cb 0.32 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1be3 h VAL 45 CO -0.22 0.60 -0.42 1.23 0.02 0.00 0.00 177.57 178.77 1be3 h GLY 46 N 1.50 0.57 1.89 2.17 0.00 -0.62 -3.03 103.07 105.55 1be3 h GLY 46 Ca -0.01 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 1be3 h GLY 46 CO 0.10 0.66 -0.09 -2.08 0.00 0.00 0.00 176.54 175.12 1be3 h VAL 47 N 0.13 1.13 -0.61 4.60 2.07 -1.38 -0.62 116.25 121.56 1be3 h VAL 47 Ca -0.02 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1be3 h VAL 47 Cb 1.05 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1be3 h VAL 47 CO 0.09 0.17 0.26 0.00 0.02 0.00 0.00 177.57 178.11 1be3 h ALA 48 N 1.77 1.31 -0.16 1.67 0.00 -1.13 -1.89 119.26 120.83 1be3 h ALA 48 Ca 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1be3 h ALA 48 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1be3 h ALA 48 CO 0.01 0.52 -0.02 -0.92 0.00 0.00 0.00 179.25 178.85 1be3 h TYR 49 N 0.87 0.33 0.29 0.00 3.20 -1.04 -1.13 116.97 119.50 1be3 h TYR 49 Ca 0.21 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1be3 h TYR 49 Cb 0.14 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1be3 h TYR 49 CO 0.01 0.54 -0.47 0.00 -1.64 0.00 0.00 178.16 176.60 1be3 h ALA 50 N 0.74 -0.95 -0.96 1.82 0.00 -1.27 0.99 119.26 119.63 1be3 h ALA 50 Ca 0.04 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.98 1be3 h ALA 50 Cb 0.42 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1be3 h ALA 50 CO 0.01 -1.09 0.57 0.00 0.00 0.00 0.00 179.25 178.74 1be3 h ALA 51 N -0.52 1.51 0.25 0.00 0.00 -1.40 -1.18 119.26 117.92 1be3 h ALA 51 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1be3 h ALA 51 Cb 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1be3 h ALA 51 CO -0.17 0.03 -0.12 -0.22 0.00 0.00 0.00 179.25 178.77 1be3 h LYS 52 N 0.80 -0.32 -0.00 0.00 3.64 0.45 -0.12 116.57 121.01 1be3 h LYS 52 Ca 0.52 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1be3 h LYS 52 Cb 0.70 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1be3 h LYS 52 CO -0.34 -0.17 0.00 -0.91 -2.27 0.00 0.00 179.45 175.76 1be3 h ASN 53 N -0.39 0.00 -0.68 4.20 4.21 -0.49 -0.97 115.58 121.46 1be3 h ASN 53 Ca -0.03 -0.18 0.06 0.00 1.21 0.00 0.00 56.30 57.36 1be3 h ASN 53 Cb 0.30 -0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 37.41 1be3 h ASN 53 CO 0.06 0.18 -0.48 0.58 -1.29 0.00 0.00 177.43 176.48 1be3 h VAL 54 N -0.18 0.00 -0.52 2.81 2.07 -1.00 0.65 116.25 120.08 1be3 h VAL 54 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1be3 h VAL 54 Cb 0.18 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 1be3 h VAL 54 CO -0.00 0.00 0.29 0.58 0.02 0.00 0.00 177.57 178.46 1be3 h VAL 55 N -0.10 1.02 0.00 2.57 2.07 -1.00 -1.52 116.25 119.29 1be3 h VAL 55 Ca 0.11 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1be3 h VAL 55 Cb 0.38 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1be3 h VAL 55 CO -0.69 0.11 0.00 0.28 0.02 0.00 0.00 177.57 177.29 1be3 h SER 56 N 0.58 0.00 -0.13 0.57 0.02 -0.09 -2.31 113.55 112.17 1be3 h SER 56 Ca 0.22 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 1be3 h SER 56 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1be3 h SER 56 CO -0.12 0.00 -0.29 1.56 -1.14 0.00 0.00 176.83 176.84 1be3 h GLN 57 N 0.00 0.43 -0.24 3.45 4.20 0.89 -2.45 115.11 121.40 1be3 h GLN 57 Ca 0.00 -0.29 0.07 0.00 0.06 0.00 0.00 58.65 58.49 1be3 h GLN 57 Cb 0.66 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1be3 h GLN 57 CO 0.00 0.89 0.22 0.74 -0.67 0.00 0.00 178.83 180.01 1be3 h PHE 58 N 0.03 0.00 0.00 2.96 0.04 -0.95 -2.56 116.94 116.46 1be3 h PHE 58 Ca 0.00 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.50 1be3 h PHE 58 Cb 0.89 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.99 1be3 h PHE 58 CO 0.10 0.00 -1.83 0.28 -0.60 0.00 0.00 178.31 176.26 1be3 n VAL 59 N -4.01 1.41 -0.10 -0.55 0.31 -0.90 -3.40 118.33 111.08 1be3 n VAL 59 Ca 0.03 -0.78 -0.05 0.00 -0.01 0.00 0.00 64.34 63.53 1be3 n VAL 59 Cb 0.36 -0.79 0.15 0.00 -0.91 0.00 0.00 33.84 32.65 1be3 n VAL 59 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1be3 h SER 60 N 0.00 0.76 0.00 4.52 0.87 -1.07 -2.45 113.55 116.18 1be3 h SER 60 Ca -0.32 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1be3 h SER 60 Cb 1.95 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1be3 h SER 60 CO 0.06 0.86 0.00 -1.54 -0.53 0.00 0.00 176.83 175.68 1be3 n SER 61 N -4.19 0.00 -0.00 6.23 3.41 -1.00 -0.44 113.62 117.62 1be3 n SER 61 Ca 0.02 0.11 0.05 0.00 -0.26 0.00 0.00 58.87 58.79 1be3 n SER 61 Cb 0.33 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 64.09 1be3 n SER 61 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1be3 n MET 62 N -1.10 2.13 -0.02 4.33 2.81 -0.92 -4.77 117.12 119.57 1be3 n MET 62 Ca 0.00 -0.04 -0.17 0.00 -1.81 0.00 0.00 57.70 55.68 1be3 n MET 62 Cb 0.00 -1.11 -0.08 0.00 -0.71 0.00 0.00 33.22 31.32 1be3 n MET 62 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1be3 h SER 63 N 0.00 0.83 -0.46 7.83 0.87 -0.84 -3.48 113.55 118.30 1be3 h SER 63 Ca 0.00 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1be3 h SER 63 Cb 0.36 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1be3 h SER 63 CO 0.00 1.34 0.00 0.00 -0.53 0.00 0.00 176.83 177.64 1be3 n ALA 64 N -2.59 0.00 -3.14 6.23 0.00 -1.26 -5.13 120.51 114.62 1be3 n ALA 64 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 1be3 n ALA 64 Cb 0.70 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.05 1be3 n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1be3 s SER 65 N -0.08 -0.07 0.21 0.00 0.15 -1.26 -4.90 113.70 107.75 1be3 s SER 65 Ca 0.00 -0.04 -0.09 0.00 0.70 0.00 0.00 55.95 56.51 1be3 s SER 65 Cb 0.00 0.27 0.27 0.00 -1.71 0.00 0.00 66.02 64.85 1be3 s SER 65 CO 0.00 -0.35 1.75 0.00 1.20 0.00 0.00 173.24 175.84 1be3 h ALA 66 N 4.36 0.80 0.70 5.45 0.00 -2.02 0.46 119.26 129.00 1be3 h ALA 66 Ca -0.30 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1be3 h ALA 66 Cb 1.19 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1be3 h ALA 66 CO 0.40 -0.16 -0.33 0.22 0.00 0.00 0.00 179.25 179.37 1be3 h ASP 67 N 0.44 -0.79 -0.81 0.00 3.58 -2.01 -2.49 116.42 114.34 1be3 h ASP 67 Ca 0.31 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.75 1be3 h ASP 67 Cb 0.36 0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 1be3 h ASP 67 CO -0.29 -0.53 0.38 0.58 -2.88 0.00 0.00 179.24 176.50 1be3 h VAL 68 N -1.02 1.26 0.00 2.25 2.07 -1.87 -3.16 116.25 115.77 1be3 h VAL 68 Ca -0.10 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1be3 h VAL 68 Cb 0.72 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1be3 h VAL 68 CO 0.16 0.31 0.00 -0.11 0.02 0.00 0.00 177.57 177.95 1be3 n LEU 69 N -4.30 0.00 0.00 2.57 7.94 0.16 -2.79 117.00 120.57 1be3 n LEU 69 Ca 0.08 0.62 0.00 0.00 -1.11 0.00 0.00 56.01 55.60 1be3 n LEU 69 Cb 0.15 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1be3 n LEU 69 CO 0.40 -0.12 0.00 0.00 -1.11 0.00 0.00 177.39 176.56 1be3 n ALA 70 N -1.20 0.00 0.00 1.96 0.00 -0.94 0.18 120.51 120.51 1be3 n ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1be3 n ALA 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1be3 n ALA 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1be3 n MET 71 N -0.32 0.00 -0.07 0.00 0.00 -1.22 -2.82 117.12 112.69 1be3 n MET 71 Ca 0.00 0.10 -0.11 0.00 -0.00 0.00 0.00 57.70 57.69 1be3 n MET 71 Cb 0.00 -1.83 -0.10 0.00 0.00 0.00 0.00 33.22 31.29 1be3 n MET 71 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1be3 h SER 72 N 0.00 0.00 -0.47 6.12 0.02 0.21 -3.36 113.55 116.07 1be3 h SER 72 Ca 0.00 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1be3 h SER 72 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1be3 h SER 72 CO 0.00 0.93 0.00 1.17 -1.14 0.00 0.00 176.83 177.79 1be3 n LYS 73 N -4.63 2.52 -2.03 3.45 4.81 -1.21 -4.80 118.16 116.26 1be3 n LYS 73 Ca -0.10 -2.32 -0.33 0.00 -0.87 0.00 0.00 58.31 54.69 1be3 n LYS 73 Cb 0.39 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 33.91 1be3 n LYS 73 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1be3 s ILE 74 N -1.23 3.38 -0.28 3.15 -1.16 -1.13 -4.68 121.20 119.25 1be3 s ILE 74 Ca 0.38 -0.05 -0.17 0.00 -0.51 0.00 0.00 60.65 60.31 1be3 s ILE 74 Cb 0.21 -3.94 0.10 0.00 0.61 0.00 0.00 42.46 39.45 1be3 s ILE 74 CO 0.29 -0.90 0.80 -0.70 -2.81 0.00 0.00 174.94 171.62 1be3 s GLU 75 N 7.08 0.60 0.15 3.50 2.56 -1.26 -4.98 118.70 126.34 1be3 s GLU 75 Ca 0.69 1.01 0.03 0.00 0.00 0.00 0.00 54.97 56.70 1be3 s GLU 75 Cb -0.10 0.13 -0.04 0.00 2.00 0.00 0.00 34.13 36.11 1be3 s GLU 75 CO 0.11 -0.12 -0.05 0.96 -0.56 0.00 0.00 175.26 175.60 1be3 s ILE 76 N 1.46 0.83 0.03 -3.70 -4.36 -1.25 -2.14 121.20 112.06 1be3 s ILE 76 Ca -0.09 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.32 1be3 s ILE 76 Cb -0.05 -1.92 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 1be3 s ILE 76 CO -0.17 -0.66 -0.05 -0.54 0.24 0.00 0.00 174.94 173.75 1be3 s LYS 77 N -3.84 0.43 0.48 0.37 1.02 -0.81 -4.93 119.74 112.46 1be3 s LYS 77 Ca 0.18 -0.72 -0.02 0.00 0.02 0.00 0.00 55.97 55.43 1be3 s LYS 77 Cb 0.05 -0.06 0.10 0.00 -0.52 0.00 0.00 37.83 37.40 1be3 s LYS 77 CO 0.01 -0.01 0.66 1.28 -0.92 0.00 0.00 175.35 176.36 1be3 n LEU 78 N 1.42 0.00 -0.99 3.17 4.77 -1.26 -3.88 117.00 120.22 1be3 n LEU 78 Ca -0.23 -1.20 0.01 0.00 -0.03 0.00 0.00 56.01 54.57 1be3 n LEU 78 Cb 0.55 -0.45 0.22 0.00 -2.33 0.00 0.00 43.42 41.41 1be3 n LEU 78 CO 0.21 -0.86 0.69 -1.54 -1.33 0.00 0.00 177.39 174.56 1be3 n SER 79 N -3.08 2.95 0.05 -1.43 3.41 -1.26 -4.65 113.62 109.62 1be3 n SER 79 Ca 0.10 -3.47 -0.07 0.00 -0.26 0.00 0.00 58.87 55.17 1be3 n SER 79 Cb 0.36 -0.59 0.09 0.00 -0.26 0.00 0.00 64.21 63.81 1be3 n SER 79 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1be3 h ASP 80 N 1.20 0.42 -0.65 4.04 2.03 -1.96 -3.43 116.42 118.06 1be3 h ASP 80 Ca 0.13 -0.23 -0.54 0.00 -0.73 0.00 0.00 57.03 55.66 1be3 h ASP 80 Cb 1.54 -0.12 -0.04 0.00 -0.83 0.00 0.00 39.33 39.88 1be3 h ASP 80 CO 0.31 0.91 1.63 -0.38 -1.03 0.00 0.00 179.24 180.67 1be3 n ILE 81 N -3.91 0.01 -2.50 4.15 5.41 -1.26 -4.87 119.36 116.40 1be3 n ILE 81 Ca -0.03 -0.28 -0.40 0.00 1.00 0.00 0.00 62.75 63.04 1be3 n ILE 81 Cb 0.61 -1.36 -0.04 0.00 -0.71 0.00 0.00 39.64 38.14 1be3 n ILE 81 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1be3 s PRO 82 N 8.06 4.64 0.18 0.38 0.02 -1.26 -4.69 135.00 142.32 1be3 s PRO 82 Ca 1.19 1.77 -0.31 0.00 0.02 0.00 0.00 61.00 63.67 1be3 s PRO 82 Cb -0.90 -3.22 -0.16 0.00 0.02 0.00 0.00 34.50 30.24 1be3 s PRO 82 CO 0.44 0.19 0.95 0.39 -0.33 0.00 0.00 177.00 178.64 1be3 n GLU 83 N 1.54 0.76 0.00 5.54 4.71 -1.26 -2.69 120.64 129.24 1be3 n GLU 83 Ca -0.00 0.27 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 1be3 n GLU 83 Cb 0.45 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 1be3 n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1be3 n GLY 84 N 1.79 2.40 3.74 0.62 0.00 -1.12 -4.97 105.19 107.64 1be3 n GLY 84 Ca 0.15 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1be3 n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1be3 n LYS 85 N 0.00 1.58 -3.68 1.61 4.76 -1.09 -4.85 118.16 116.49 1be3 n LYS 85 Ca 0.00 0.59 -0.38 0.00 -2.87 0.00 0.00 58.31 55.65 1be3 n LYS 85 Cb 0.00 -2.57 -0.09 0.00 -1.84 0.00 0.00 35.03 30.53 1be3 n LYS 85 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1be3 s ASN 86 N -1.00 5.42 1.02 4.39 2.47 -1.26 -3.73 114.94 122.25 1be3 s ASN 86 Ca 0.74 -2.52 -0.01 0.00 0.42 0.00 0.00 52.86 51.48 1be3 s ASN 86 Cb -0.41 -1.90 0.02 0.00 -1.45 0.00 0.00 41.25 37.51 1be3 s ASN 86 CO 0.47 -0.47 0.04 0.80 -3.72 0.00 0.00 177.10 174.22 1be3 n MET 87 N 3.97 -2.06 -3.59 0.43 0.00 0.12 -4.82 117.12 111.18 1be3 n MET 87 Ca 0.04 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.70 57.65 1be3 n MET 87 Cb 0.40 -0.08 -0.06 0.00 0.00 0.00 0.00 33.22 33.47 1be3 n MET 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1be3 s ALA 88 N -2.08 -2.31 0.23 -5.12 0.00 -1.26 -3.42 121.76 107.80 1be3 s ALA 88 Ca 0.03 2.21 0.11 0.00 0.00 0.00 0.00 51.96 54.31 1be3 s ALA 88 Cb -0.01 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1be3 s ALA 88 CO 0.03 -0.53 -0.17 -0.06 0.00 0.00 0.00 175.76 175.03 1be3 s PHE 89 N 1.74 2.42 -0.71 0.00 0.40 0.97 -4.93 117.98 117.86 1be3 s PHE 89 Ca -0.07 -0.30 -0.08 0.00 -0.60 0.00 0.00 56.93 55.87 1be3 s PHE 89 Cb -0.05 -1.13 0.19 0.00 0.51 0.00 0.00 43.02 42.53 1be3 s PHE 89 CO -0.16 0.58 0.59 0.21 0.70 0.00 0.00 175.22 177.14 1be3 s LYS 90 N -3.08 3.03 -0.10 0.44 2.20 -1.26 0.97 119.74 121.93 1be3 s LYS 90 Ca 0.26 -2.48 0.04 0.00 -0.36 0.00 0.00 55.97 53.42 1be3 s LYS 90 Cb -0.07 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.20 1be3 s LYS 90 CO 0.14 -1.23 -0.24 -0.46 -0.36 0.00 0.00 175.35 173.20 1be3 s TRP 91 N 0.07 2.51 -1.33 4.03 -0.00 -0.57 -4.73 118.94 118.92 1be3 s TRP 91 Ca 0.17 -1.02 -0.03 0.00 -0.00 0.00 0.00 56.10 55.22 1be3 s TRP 91 Cb -0.16 -1.68 0.02 0.00 -0.00 0.00 0.00 33.47 31.64 1be3 s TRP 91 CO -0.06 -0.41 0.82 0.54 -0.00 0.00 0.00 176.95 177.84 1be3 n ARG 92 N 3.53 -5.43 -1.35 5.86 1.74 -1.26 -2.02 116.66 117.73 1be3 n ARG 92 Ca -0.19 0.66 -0.12 0.00 -0.77 0.00 0.00 57.85 57.43 1be3 n ARG 92 Cb 0.53 -5.36 -0.05 0.00 -1.02 0.00 0.00 32.46 26.55 1be3 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1be3 n GLY 93 N -1.56 1.16 3.29 -0.13 0.00 -1.26 -4.94 105.19 101.75 1be3 n GLY 93 Ca -0.22 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1be3 n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1be3 s LYS 94 N -2.98 1.54 -0.14 1.61 -0.14 -0.86 -5.14 119.74 113.64 1be3 s LYS 94 Ca 0.00 -1.87 -0.29 0.00 -1.36 0.00 0.00 55.97 52.45 1be3 s LYS 94 Cb 0.00 0.08 -0.02 0.00 -1.68 0.00 0.00 37.83 36.21 1be3 s LYS 94 CO 0.00 -0.48 1.27 -2.14 -0.76 0.00 0.00 175.35 173.24 1be3 s PRO 95 N -3.82 4.25 -0.47 -1.68 0.02 -1.26 -1.51 135.00 130.53 1be3 s PRO 95 Ca 0.38 1.69 -0.04 0.00 0.02 0.00 0.00 61.00 63.05 1be3 s PRO 95 Cb 0.05 -3.73 0.13 0.00 0.02 0.00 0.00 34.50 30.97 1be3 s PRO 95 CO 0.18 -0.66 0.28 -1.17 -0.33 0.00 0.00 177.00 175.31 1be3 s LEU 96 N 3.24 5.30 -0.12 -5.54 2.96 0.27 -0.21 118.68 124.58 1be3 s LEU 96 Ca 0.56 -2.24 -0.30 0.00 -0.22 0.00 0.00 54.13 51.93 1be3 s LEU 96 Cb -0.23 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1be3 s LEU 96 CO 0.17 -0.51 1.19 -0.36 -1.32 0.00 0.00 176.35 175.52 1be3 s PHE 97 N 0.84 3.10 -0.22 5.38 0.40 -0.78 -0.02 117.98 126.68 1be3 s PHE 97 Ca 0.10 1.19 0.02 0.00 -0.60 0.00 0.00 56.93 57.64 1be3 s PHE 97 Cb -0.22 -3.42 0.05 0.00 0.51 0.00 0.00 43.02 39.93 1be3 s PHE 97 CO -0.04 -1.30 -0.12 0.08 0.70 0.00 0.00 175.22 174.54 1be3 s VAL 98 N 2.77 1.86 -0.28 -0.44 1.01 -1.22 -1.17 120.40 122.93 1be3 s VAL 98 Ca 0.54 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1be3 s VAL 98 Cb -0.22 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.27 1be3 s VAL 98 CO 0.17 0.14 -0.01 -0.60 0.00 0.00 0.00 175.10 174.81 1be3 s ARG 99 N 1.29 2.63 0.15 2.72 3.52 -0.80 0.11 118.95 128.57 1be3 s ARG 99 Ca -0.03 -1.13 -0.29 0.00 -0.13 0.00 0.00 55.73 54.15 1be3 s ARG 99 Cb -0.17 -3.14 -0.07 0.00 -1.56 0.00 0.00 34.95 30.01 1be3 s ARG 99 CO -0.08 -0.53 0.92 -1.58 -0.81 0.00 0.00 175.30 173.22 1be3 s HIS 100 N 1.30 3.87 0.39 5.12 5.65 -1.24 -1.99 115.29 128.39 1be3 s HIS 100 Ca -0.03 1.79 0.05 0.00 0.25 0.00 0.00 55.06 57.12 1be3 s HIS 100 Cb -0.18 -2.98 -0.07 0.00 -1.18 0.00 0.00 32.58 28.17 1be3 s HIS 100 CO -0.02 0.32 0.03 -0.98 -0.65 0.00 0.00 174.74 173.44 1be3 s ARG 101 N -0.48 1.87 0.04 2.88 1.70 0.12 -2.80 118.95 122.28 1be3 s ARG 101 Ca 0.43 -2.07 0.08 0.00 -0.47 0.00 0.00 55.73 53.70 1be3 s ARG 101 Cb -0.24 -1.30 -0.03 0.00 -0.57 0.00 0.00 34.95 32.81 1be3 s ARG 101 CO 0.29 -0.15 -0.23 0.95 -1.08 0.00 0.00 175.30 175.09 1be3 s THR 102 N -2.96 2.40 0.32 4.99 -4.23 -1.26 -4.82 115.64 110.08 1be3 s THR 102 Ca 0.32 -1.28 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 1be3 s THR 102 Cb 0.08 -1.96 0.35 0.00 1.34 0.00 0.00 72.50 72.31 1be3 s THR 102 CO 0.16 0.38 1.62 0.50 -0.54 0.00 0.00 174.62 176.73 1be3 h LYS 103 N 4.76 0.14 -0.20 3.99 1.63 -1.99 4.85 116.57 129.76 1be3 h LYS 103 Ca -0.47 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.37 1be3 h LYS 103 Cb 1.15 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.69 1be3 h LYS 103 CO 0.45 0.10 -0.12 -0.22 -3.45 0.00 0.00 179.45 176.21 1be3 h LYS 104 N 0.15 -0.10 0.00 1.90 3.11 -1.98 0.36 116.57 120.01 1be3 h LYS 104 Ca 0.68 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.52 1be3 h LYS 104 Cb 1.54 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.79 1be3 h LYS 104 CO -0.72 -0.07 0.00 -1.91 -2.81 0.00 0.00 179.45 173.94 1be3 n GLU 105 N -5.27 0.00 -0.14 1.90 2.13 1.58 -1.36 120.64 119.47 1be3 n GLU 105 Ca -0.02 0.52 -0.04 0.00 0.66 0.00 0.00 57.16 58.29 1be3 n GLU 105 Cb 0.19 -1.44 -0.03 0.00 0.27 0.00 0.00 31.44 30.43 1be3 n GLU 105 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1be3 n ILE 106 N -1.97 -0.23 -0.36 6.31 5.41 -0.58 -1.13 119.36 126.81 1be3 n ILE 106 Ca 0.00 1.46 -0.01 0.00 1.00 0.00 0.00 62.75 65.20 1be3 n ILE 106 Cb 0.00 -1.87 0.04 0.00 -0.71 0.00 0.00 39.64 37.09 1be3 n ILE 106 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1be3 n ASP 107 N -3.72 -0.60 -0.02 4.38 9.92 0.12 -0.07 116.55 126.55 1be3 n ASP 107 Ca 0.01 1.61 -0.13 0.00 -0.53 0.00 0.00 54.79 55.75 1be3 n ASP 107 Cb 0.09 -0.37 -0.10 0.00 -0.64 0.00 0.00 41.12 40.10 1be3 n ASP 107 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1be3 h GLN 108 N 0.00 0.03 -0.97 -1.24 4.15 0.15 -3.15 115.11 114.06 1be3 h GLN 108 Ca 0.32 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.83 1be3 h GLN 108 Cb 0.55 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.17 1be3 h GLN 108 CO -0.92 0.56 0.62 0.93 -1.93 0.00 0.00 178.83 178.10 1be3 h GLU 109 N -0.51 0.96 -0.40 1.69 4.39 -0.50 0.39 114.58 120.61 1be3 h GLU 109 Ca 0.00 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.71 1be3 h GLU 109 Cb 0.56 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1be3 h GLU 109 CO 0.00 0.64 0.27 0.00 -1.16 0.00 0.00 179.01 178.76 1be3 h ALA 110 N 1.53 2.04 -0.43 3.43 0.00 -0.49 -2.54 119.26 122.80 1be3 h ALA 110 Ca 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1be3 h ALA 110 Cb 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1be3 h ALA 110 CO -0.22 -0.12 0.01 0.00 0.00 0.00 0.00 179.25 178.92 1be3 n ALA 111 N -2.54 3.55 -1.82 0.00 0.00 0.12 -4.89 120.51 114.94 1be3 n ALA 111 Ca 0.05 -1.42 -0.33 0.00 0.00 0.00 0.00 53.44 51.74 1be3 n ALA 111 Cb 0.28 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 1be3 n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1be3 s VAL 112 N -2.30 4.29 -0.00 0.00 1.01 -0.96 -5.03 120.40 117.41 1be3 s VAL 112 Ca 0.40 1.44 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 1be3 s VAL 112 Cb 0.31 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1be3 s VAL 112 CO 0.12 -0.30 1.02 -1.61 0.00 0.00 0.00 175.10 174.32 1be3 s GLU 113 N -3.17 4.52 0.27 2.72 8.01 -1.26 -4.94 118.70 124.85 1be3 s GLU 113 Ca 0.63 1.47 0.03 0.00 0.01 0.00 0.00 54.97 57.11 1be3 s GLU 113 Cb -0.10 -3.45 0.39 0.00 -4.31 0.00 0.00 34.13 26.65 1be3 s GLU 113 CO 0.14 -0.11 1.69 -0.39 0.01 0.00 0.00 175.26 176.60 1be3 h VAL 114 N 4.79 1.28 0.00 2.63 -1.51 -1.96 -3.21 116.25 118.28 1be3 h VAL 114 Ca -0.40 -1.39 -0.02 0.00 -1.23 0.00 0.00 66.70 63.66 1be3 h VAL 114 Cb 1.21 1.48 -0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1be3 h VAL 114 CO 0.77 0.43 -0.09 -1.28 -1.23 0.00 0.00 177.57 176.17 1be3 h SER 115 N 0.37 0.00 -0.01 4.19 0.87 -2.00 -3.29 113.55 113.69 1be3 h SER 115 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1be3 h SER 115 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1be3 h SER 115 CO 0.06 0.09 -0.13 1.67 -0.53 0.00 0.00 176.83 177.99 1be3 n GLN 116 N -3.32 1.76 -1.77 2.24 -0.06 -1.21 -5.04 117.38 109.97 1be3 n GLN 116 Ca -0.01 -0.64 -0.39 0.00 -2.00 0.00 0.00 57.00 53.97 1be3 n GLN 116 Cb 0.29 -1.05 0.03 0.00 -4.06 0.00 0.00 30.24 25.45 1be3 n GLN 116 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1be3 s LEU 117 N -1.30 3.94 0.33 1.69 1.43 -1.24 -4.91 118.68 118.63 1be3 s LEU 117 Ca 0.07 2.84 0.03 0.00 -1.03 0.00 0.00 54.13 56.04 1be3 s LEU 117 Cb 0.07 -4.15 0.58 0.00 0.03 0.00 0.00 46.19 42.72 1be3 s LEU 117 CO 0.18 -1.44 1.89 -0.09 0.23 0.00 0.00 176.35 177.12 1be3 h ARG 118 N 1.77 0.63 -2.90 1.70 2.43 -1.93 -3.28 114.38 112.80 1be3 h ARG 118 Ca -0.51 -0.11 -0.61 0.00 -0.81 0.00 0.00 59.98 57.94 1be3 h ARG 118 Cb 1.29 -0.10 -0.40 0.00 -0.42 0.00 0.00 29.97 30.34 1be3 h ARG 118 CO 0.59 0.58 -0.75 0.34 -1.51 0.00 0.00 179.97 179.22 1be3 s ASP 119 N -6.67 3.47 -0.27 -3.80 2.15 -1.26 -4.95 116.67 105.34 1be3 s ASP 119 Ca -0.08 -2.92 -0.31 0.00 0.43 0.00 0.00 52.55 49.66 1be3 s ASP 119 Cb 0.16 -1.04 -0.08 0.00 -0.30 0.00 0.00 42.92 41.66 1be3 s ASP 119 CO 0.77 -0.22 2.21 -2.65 -0.17 0.00 0.00 175.17 175.11 1be3 n PRO 120 N 3.14 1.58 -3.05 4.34 -0.02 -1.24 -4.84 135.00 134.91 1be3 n PRO 120 Ca 0.14 0.43 -0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1be3 n PRO 120 Cb 0.37 -2.90 -0.00 0.00 -0.02 0.00 0.00 33.50 30.95 1be3 n PRO 120 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1be3 s GLN 121 N 6.29 0.82 -0.28 -0.52 0.74 -1.26 -5.08 119.66 120.37 1be3 s GLN 121 Ca 1.05 -0.45 -0.26 0.00 0.05 0.00 0.00 55.36 55.75 1be3 s GLN 121 Cb -0.56 0.05 -0.11 0.00 1.10 0.00 0.00 33.01 33.49 1be3 s GLN 121 CO 0.41 -1.14 1.06 1.58 -0.55 0.00 0.00 175.29 176.65 1be3 n HIS 122 N 3.95 0.83 -0.12 1.67 -0.00 -1.26 -4.79 115.22 115.50 1be3 n HIS 122 Ca 0.12 0.55 -0.03 0.00 -0.00 0.00 0.00 57.72 58.36 1be3 n HIS 122 Cb 0.57 -1.28 -0.03 0.00 -0.00 0.00 0.00 29.99 29.25 1be3 n HIS 122 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1be3 n ASP 123 N 3.23 -0.30 0.03 0.26 2.03 -1.26 -0.24 116.55 120.30 1be3 n ASP 123 Ca 0.24 0.79 0.00 0.00 0.52 0.00 0.00 54.79 56.35 1be3 n ASP 123 Cb -0.03 -0.21 0.02 0.00 -0.72 0.00 0.00 41.12 40.19 1be3 n ASP 123 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1be3 n LEU 124 N -3.65 0.02 -0.01 -2.67 0.00 -1.26 0.31 117.00 109.74 1be3 n LEU 124 Ca 0.01 0.14 0.10 0.00 0.00 0.00 0.00 56.01 56.25 1be3 n LEU 124 Cb 0.07 -0.11 -0.11 0.00 0.00 0.00 0.00 43.42 43.28 1be3 n LEU 124 CO -0.05 -0.15 -0.04 -1.84 0.00 0.00 0.00 177.39 175.31 1be3 n GLU 125 N -1.24 0.25 -0.01 1.96 0.28 0.66 -4.64 120.64 117.91 1be3 n GLU 125 Ca -0.00 -0.02 -0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1be3 n GLU 125 Cb 0.45 -1.47 -0.00 0.00 1.43 0.00 0.00 31.44 31.85 1be3 n GLU 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1be3 h ARG 126 N 0.04 0.00 -6.96 3.44 2.47 -0.29 -3.47 114.38 109.62 1be3 h ARG 126 Ca 0.00 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.18 1be3 h ARG 126 Cb 0.49 0.00 0.10 0.00 -1.65 0.00 0.00 29.97 28.91 1be3 h ARG 126 CO 0.00 0.00 0.69 0.14 0.56 0.00 0.00 179.97 181.36 1be3 s VAL 127 N -1.09 2.27 -0.20 2.04 -7.23 -1.26 -4.89 120.40 110.04 1be3 s VAL 127 Ca -0.01 0.25 0.19 0.00 -1.81 0.00 0.00 61.98 60.60 1be3 s VAL 127 Cb 0.00 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.80 1be3 s VAL 127 CO 0.01 0.05 1.15 0.11 -0.31 0.00 0.00 175.10 176.10 1be3 h LYS 128 N 2.70 0.00 -5.32 4.82 1.57 -1.91 -3.45 116.57 114.98 1be3 h LYS 128 Ca -0.50 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.69 1be3 h LYS 128 Cb 1.25 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.24 1be3 h LYS 128 CO 0.63 0.23 -0.85 0.15 -0.57 0.00 0.00 179.45 179.04 1be3 s LYS 129 N -3.09 2.04 0.08 3.15 1.02 -1.26 -5.04 119.74 116.64 1be3 s LYS 129 Ca 0.01 -0.66 -0.19 0.00 0.02 0.00 0.00 55.97 55.15 1be3 s LYS 129 Cb 0.08 -1.71 -0.06 0.00 -0.52 0.00 0.00 37.83 35.62 1be3 s LYS 129 CO 0.77 0.23 1.31 -1.35 -0.92 0.00 0.00 175.35 175.39 1be3 h PRO 130 N 6.37 -0.18 -1.10 -1.68 0.11 -1.98 -2.25 132.00 131.28 1be3 h PRO 130 Ca -0.31 0.01 0.30 0.00 0.11 0.00 0.00 66.00 66.12 1be3 h PRO 130 Cb 1.18 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 1be3 h PRO 130 CO 0.48 -0.12 0.73 1.05 -0.21 0.00 0.00 178.00 179.92 1be3 h GLU 131 N -0.19 0.26 -5.56 1.05 9.09 -1.96 -3.41 114.58 113.85 1be3 h GLU 131 Ca 0.05 -0.02 -0.66 0.00 0.05 0.00 0.00 59.36 58.78 1be3 h GLU 131 Cb 0.32 -0.06 -0.24 0.00 -1.65 0.00 0.00 28.75 27.12 1be3 h GLU 131 CO -0.38 0.17 -0.73 -1.58 0.05 0.00 0.00 179.01 176.54 1be3 s TRP 132 N -5.33 2.86 -0.19 2.06 0.52 -0.85 -0.70 118.94 117.31 1be3 s TRP 132 Ca -0.08 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 55.64 1be3 s TRP 132 Cb 0.25 -1.82 0.02 0.00 -1.15 0.00 0.00 33.47 30.77 1be3 s TRP 132 CO 0.80 -0.05 -0.19 0.54 0.02 0.00 0.00 176.95 178.08 1be3 s VAL 133 N 0.05 2.09 -0.18 4.03 0.11 -0.84 -4.34 120.40 121.31 1be3 s VAL 133 Ca -0.03 -0.99 -0.05 0.00 -2.93 0.00 0.00 61.98 57.97 1be3 s VAL 133 Cb -0.14 -1.91 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 1be3 s VAL 133 CO 0.04 0.49 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.66 1be3 s ILE 134 N 1.28 4.01 0.28 7.04 1.01 -1.26 -1.91 121.20 131.65 1be3 s ILE 134 Ca 0.04 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1be3 s ILE 134 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1be3 s ILE 134 CO -0.12 0.45 0.12 -0.76 0.00 0.00 0.00 174.94 174.63 1be3 s LEU 135 N 0.72 1.66 -0.19 2.97 1.02 -0.32 -4.50 118.68 120.04 1be3 s LEU 135 Ca -0.00 -1.46 -0.06 0.00 0.02 0.00 0.00 54.13 52.63 1be3 s LEU 135 Cb -0.14 0.09 -0.03 0.00 0.02 0.00 0.00 46.19 46.13 1be3 s LEU 135 CO 0.02 -0.80 0.02 -0.63 0.02 0.00 0.00 176.35 174.98 1be3 s ILE 136 N -3.68 4.21 -1.22 -0.59 -1.09 -0.86 -1.87 121.20 116.10 1be3 s ILE 136 Ca 0.36 -0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1be3 s ILE 136 Cb 0.06 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 1be3 s ILE 136 CO 0.15 0.44 0.47 0.61 -1.23 0.00 0.00 174.94 175.38 1be3 n GLY 137 N 4.01 0.73 3.41 6.18 0.00 0.70 -4.38 105.19 115.84 1be3 n GLY 137 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1be3 n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1be3 s VAL 138 N -1.22 3.50 0.09 1.61 1.01 -1.26 -3.86 120.40 120.27 1be3 s VAL 138 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 1be3 s VAL 138 Cb 0.00 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 1be3 s VAL 138 CO 0.00 0.48 1.79 0.00 0.00 0.00 0.00 175.10 177.37 1be3 n THR 140 N 4.89 0.00 0.00 0.00 -2.24 -1.26 -2.27 114.28 113.40 1be3 n THR 140 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1be3 n THR 140 Cb 0.39 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1be3 n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1be3 n HIS 141 N -0.52 0.00 -0.97 4.78 -0.00 -1.26 -4.27 115.22 112.98 1be3 n HIS 141 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.81 1be3 n HIS 141 Cb 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 29.99 30.26 1be3 n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1be3 n LEU 142 N 0.00 3.99 0.00 0.27 4.77 -1.26 -4.99 117.00 119.77 1be3 n LEU 142 Ca 0.00 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 52.99 1be3 n LEU 142 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1be3 n LEU 142 CO 0.00 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1be3 n GLY 143 N -0.42 0.73 0.00 -0.72 0.00 -0.96 -5.06 105.19 98.77 1be3 n GLY 143 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1be3 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1be3 s VAL 145 N -0.58 1.94 0.46 0.00 1.01 -1.26 -0.34 120.40 121.63 1be3 s VAL 145 Ca 0.00 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 1be3 s VAL 145 Cb 0.00 -1.80 -0.12 0.00 0.00 0.00 0.00 36.38 34.45 1be3 s VAL 145 CO 0.00 0.45 0.40 -2.65 0.00 0.00 0.00 175.10 173.30 1be3 n PRO 146 N 4.64 0.41 -3.60 2.72 -0.02 -1.25 -4.72 135.00 133.18 1be3 n PRO 146 Ca -0.19 0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 61.07 1be3 n PRO 146 Cb 0.49 -1.42 -0.09 0.00 -0.02 0.00 0.00 33.50 32.47 1be3 n PRO 146 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1be3 s ILE 147 N -1.62 5.33 0.31 4.25 1.01 0.28 -4.61 121.20 126.14 1be3 s ILE 147 Ca 0.63 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 61.32 1be3 s ILE 147 Cb -0.56 -3.56 -0.13 0.00 0.01 0.00 0.00 42.46 38.22 1be3 s ILE 147 CO 0.59 0.34 1.33 0.00 0.00 0.00 0.00 174.94 177.20 1be3 n ALA 148 N 4.16 1.23 -3.13 9.38 0.00 -1.26 -0.33 120.51 130.56 1be3 n ALA 148 Ca -0.13 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 1be3 n ALA 148 Cb 0.52 -2.26 0.01 0.00 0.00 0.00 0.00 19.45 17.72 1be3 n ALA 148 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1be3 n ASN 149 N 1.26 -3.47 -0.82 0.00 2.85 0.11 -4.80 115.26 110.39 1be3 n ASN 149 Ca 0.07 -0.46 0.00 0.00 -0.11 0.00 0.00 54.58 54.09 1be3 n ASN 149 Cb 0.34 -1.09 0.00 0.00 1.24 0.00 0.00 39.78 40.27 1be3 n ASN 149 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1be3 n ALA 150 N -1.24 0.00 -1.36 5.20 0.00 -1.15 -4.91 120.51 117.05 1be3 n ALA 150 Ca -0.16 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.45 1be3 n ALA 150 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 1be3 n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1be3 n GLY 151 N 0.00 -2.30 0.72 0.00 0.00 -1.26 -3.97 105.19 98.39 1be3 n GLY 151 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1be3 n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1be3 n ASP 152 N -4.32 1.02 -0.42 1.61 9.92 -1.26 -3.95 116.55 119.15 1be3 n ASP 152 Ca -0.03 -1.08 0.00 0.00 -0.53 0.00 0.00 54.79 53.15 1be3 n ASP 152 Cb 0.67 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1be3 n ASP 152 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1be3 n PHE 153 N 0.46 0.00 -1.40 1.24 3.72 -1.26 -5.01 117.46 115.20 1be3 n PHE 153 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1be3 n PHE 153 Cb 0.20 0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.75 1be3 n PHE 153 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1be3 n GLY 154 N 0.00 1.37 0.00 1.37 0.00 -1.25 -3.95 105.19 102.73 1be3 n GLY 154 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1be3 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1be3 n GLY 155 N -0.39 0.57 3.24 -0.02 0.00 -1.06 -4.18 105.19 103.35 1be3 n GLY 155 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1be3 n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1be3 s TYR 156 N 0.85 1.30 -0.04 1.61 1.51 -0.75 0.07 117.35 121.89 1be3 s TYR 156 Ca 0.00 -1.34 -0.01 0.00 -1.01 0.00 0.00 57.07 54.71 1be3 s TYR 156 Cb 0.00 -0.67 0.03 0.00 -0.11 0.00 0.00 41.96 41.22 1be3 s TYR 156 CO 0.00 -0.56 0.07 -0.47 -1.11 0.00 0.00 175.55 173.48 1be3 s TYR 157 N -4.01 -0.02 -0.52 2.71 5.04 0.55 -3.23 117.35 117.88 1be3 s TYR 157 Ca 0.39 0.28 -0.23 0.00 -2.44 0.00 0.00 57.07 55.07 1be3 s TYR 157 Cb 0.07 -0.27 0.04 0.00 0.35 0.00 0.00 41.96 42.15 1be3 s TYR 157 CO 0.13 -0.15 0.84 0.00 -1.34 0.00 0.00 175.55 175.04 1be3 n PRO 159 N 7.03 0.79 -0.02 0.00 -0.04 -1.26 -2.81 135.00 138.69 1be3 n PRO 159 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1be3 n PRO 159 Cb 0.47 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.75 1be3 n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1be3 n HIS 161 N -3.03 0.00 -0.54 0.00 8.25 -1.24 -5.03 115.22 113.62 1be3 n HIS 161 Ca -0.09 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1be3 n HIS 161 Cb 0.57 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1be3 n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1be3 n GLY 162 N -0.05 0.85 3.17 -1.41 0.00 -1.14 -4.84 105.19 101.76 1be3 n GLY 162 Ca 0.00 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1be3 n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1be3 s SER 163 N -2.32 5.06 -0.17 1.61 0.01 -1.13 -3.74 113.70 113.03 1be3 s SER 163 Ca 0.00 -1.51 -0.15 0.00 1.31 0.00 0.00 55.95 55.60 1be3 s SER 163 Cb 0.00 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1be3 s SER 163 CO 0.00 -0.36 0.36 -1.00 0.41 0.00 0.00 173.24 172.65 1be3 s HIS 164 N 1.23 3.44 -0.11 2.43 0.09 0.37 -1.48 115.29 121.26 1be3 s HIS 164 Ca -0.00 0.66 0.04 0.00 -0.00 0.00 0.00 55.06 55.75 1be3 s HIS 164 Cb -0.21 -2.45 0.00 0.00 -0.00 0.00 0.00 32.58 29.93 1be3 s HIS 164 CO -0.02 0.13 -0.24 0.71 -0.00 0.00 0.00 174.74 175.33 1be3 s TYR 165 N 0.81 2.57 1.15 1.40 2.02 -1.20 0.31 117.35 124.40 1be3 s TYR 165 Ca 0.19 -1.09 -0.18 0.00 -0.37 0.00 0.00 57.07 55.62 1be3 s TYR 165 Cb -0.14 -1.72 0.26 0.00 -0.40 0.00 0.00 41.96 39.96 1be3 s TYR 165 CO 0.07 -0.45 1.15 0.16 -1.57 0.00 0.00 175.55 174.91 1be3 s ASP 166 N 0.41 1.44 0.41 2.29 -4.77 -0.47 -1.81 116.67 114.16 1be3 s ASP 166 Ca -0.17 0.58 0.08 0.00 -3.30 0.00 0.00 52.55 49.73 1be3 s ASP 166 Cb -0.18 -0.81 0.85 0.00 -1.09 0.00 0.00 42.92 41.70 1be3 s ASP 166 CO 0.07 -3.80 2.03 0.00 0.70 0.00 0.00 175.17 174.18 1be3 h ALA 167 N -2.36 1.67 -0.64 2.11 0.00 -1.73 -3.14 119.26 115.18 1be3 h ALA 167 Ca -0.45 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1be3 h ALA 167 Cb 1.28 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1be3 h ALA 167 CO 0.36 0.28 0.22 0.66 0.00 0.00 0.00 179.25 180.76 1be3 h SER 168 N 0.49 0.92 0.00 0.00 4.64 -1.94 -3.47 113.55 114.19 1be3 h SER 168 Ca 0.13 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1be3 h SER 168 Cb 0.02 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1be3 h SER 168 CO -0.02 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1be3 n GLY 169 N -0.75 0.77 3.72 -0.77 0.00 -1.19 -4.99 105.19 101.98 1be3 n GLY 169 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1be3 n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1be3 s ARG 170 N 0.00 4.20 -0.07 1.61 0.52 -1.26 -2.77 118.95 121.18 1be3 s ARG 170 Ca 0.00 2.40 -0.30 0.00 -0.52 0.00 0.00 55.73 57.32 1be3 s ARG 170 Cb 0.00 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1be3 s ARG 170 CO 0.00 -0.64 1.30 -1.50 0.02 0.00 0.00 175.30 174.48 1be3 s ILE 171 N 1.25 4.07 0.00 1.52 1.10 -1.26 -1.37 121.20 126.51 1be3 s ILE 171 Ca 0.71 1.39 0.00 0.00 -0.51 0.00 0.00 60.65 62.24 1be3 s ILE 171 Cb -0.45 -3.89 0.00 0.00 0.15 0.00 0.00 42.46 38.27 1be3 s ILE 171 CO 0.31 -0.04 0.38 0.54 -2.11 0.00 0.00 174.94 174.03 1be3 n ARG 172 N 5.71 -0.20 -3.64 3.50 5.12 0.15 -4.27 116.66 123.02 1be3 n ARG 172 Ca 0.13 -0.43 -0.04 0.00 -1.93 0.00 0.00 57.85 55.57 1be3 n ARG 172 Cb 0.45 -0.80 -0.07 0.00 -1.16 0.00 0.00 32.46 30.88 1be3 n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1be3 s LYS 173 N -0.10 0.43 0.00 5.56 2.20 -0.96 -4.91 119.74 121.97 1be3 s LYS 173 Ca 0.00 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1be3 s LYS 173 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1be3 s LYS 173 CO 0.00 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 1be3 n GLY 174 N 3.49 1.68 0.38 5.54 0.00 -1.25 0.14 105.19 115.17 1be3 n GLY 174 Ca -0.18 -2.15 0.15 0.00 0.00 0.00 0.00 46.02 43.84 1be3 n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1be3 h PRO 175 N 0.00 0.49 -2.09 1.61 0.13 -1.88 -3.44 132.00 126.82 1be3 h PRO 175 Ca 0.00 -0.03 -0.28 0.00 -0.87 0.00 0.00 66.00 64.82 1be3 h PRO 175 Cb 0.00 -0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.03 1be3 h PRO 175 CO 0.00 0.33 0.07 0.00 -0.23 0.00 0.00 178.00 178.17 1be3 n ALA 176 N -2.49 -1.35 -1.06 -0.56 0.00 -1.26 -4.89 120.51 108.90 1be3 n ALA 176 Ca 0.17 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1be3 n ALA 176 Cb 0.55 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1be3 n ALA 176 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1be3 n PRO 177 N 0.72 0.00 -3.40 0.00 -0.04 -1.26 -4.98 135.00 126.04 1be3 n PRO 177 Ca 0.08 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.22 1be3 n PRO 177 Cb 0.02 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.42 1be3 n PRO 177 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1be3 s LEU 178 N 0.00 4.17 0.59 1.53 2.34 -1.26 -4.61 118.68 121.44 1be3 s LEU 178 Ca 0.00 0.95 -0.20 0.00 0.06 0.00 0.00 54.13 54.94 1be3 s LEU 178 Cb 0.00 -3.68 -0.04 0.00 -0.56 0.00 0.00 46.19 41.91 1be3 s LEU 178 CO 0.00 -0.07 1.30 0.59 -1.06 0.00 0.00 176.35 177.11 1be3 n ASN 179 N -0.10 2.30 -4.45 1.48 3.02 -1.26 -4.69 115.26 111.55 1be3 n ASN 179 Ca 0.00 0.91 -0.49 0.00 -0.03 0.00 0.00 54.58 54.97 1be3 n ASN 179 Cb 0.52 -1.55 -0.04 0.00 -0.61 0.00 0.00 39.78 38.10 1be3 n ASN 179 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1be3 n LEU 180 N -1.30 -0.43 -4.86 3.41 4.77 -1.12 -4.88 117.00 112.59 1be3 n LEU 180 Ca 0.13 1.14 -0.34 0.00 -0.03 0.00 0.00 56.01 56.91 1be3 n LEU 180 Cb 0.46 -1.01 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 1be3 n LEU 180 CO 0.51 -2.48 0.22 -1.83 -1.33 0.00 0.00 177.39 172.47 1be3 s GLU 181 N -0.88 3.89 -0.33 3.23 -1.05 -1.26 -4.84 118.70 117.45 1be3 s GLU 181 Ca 0.68 0.38 -0.11 0.00 -0.15 0.00 0.00 54.97 55.77 1be3 s GLU 181 Cb -0.94 -2.82 -0.00 0.00 -0.44 0.00 0.00 34.13 29.93 1be3 s GLU 181 CO 0.56 0.42 0.19 0.08 0.95 0.00 0.00 175.26 177.46 1be3 s VAL 182 N -1.60 4.79 1.12 1.83 1.01 -1.26 -2.02 120.40 124.27 1be3 s VAL 182 Ca 0.41 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1be3 s VAL 182 Cb -0.13 -3.50 0.21 0.00 0.00 0.00 0.00 36.38 32.95 1be3 s VAL 182 CO 0.20 -0.03 0.70 -2.65 0.00 0.00 0.00 175.10 173.32 1be3 n PRO 183 N 5.02 -1.87 -3.72 2.72 -0.02 -1.26 -4.99 135.00 130.88 1be3 n PRO 183 Ca -0.13 -0.51 -0.37 0.00 -2.02 0.00 0.00 63.50 60.47 1be3 n PRO 183 Cb 0.49 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 1be3 n PRO 183 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1be3 s SER 184 N -2.24 6.56 -0.22 2.55 0.01 -1.26 -4.98 113.70 114.12 1be3 s SER 184 Ca 0.64 0.67 -0.31 0.00 1.31 0.00 0.00 55.95 58.26 1be3 s SER 184 Cb -0.21 -2.14 0.16 0.00 0.21 0.00 0.00 66.02 64.04 1be3 s SER 184 CO 0.65 0.35 1.20 -0.72 0.41 0.00 0.00 173.24 175.12 1be3 s TYR 185 N -1.11 -0.17 0.05 2.43 1.13 -1.26 0.10 117.35 118.51 1be3 s TYR 185 Ca 0.21 0.26 0.08 0.00 -1.41 0.00 0.00 57.07 56.21 1be3 s TYR 185 Cb -0.14 0.49 -0.03 0.00 -1.10 0.00 0.00 41.96 41.18 1be3 s TYR 185 CO 0.10 -0.19 -0.23 -1.83 -2.51 0.00 0.00 175.55 170.89 1be3 s GLU 186 N -1.42 1.55 -0.12 -3.49 -1.05 -1.03 -4.95 118.70 108.20 1be3 s GLU 186 Ca 0.05 -1.02 -0.27 0.00 -0.15 0.00 0.00 54.97 53.59 1be3 s GLU 186 Cb -0.01 -1.70 -0.02 0.00 -0.44 0.00 0.00 34.13 31.97 1be3 s GLU 186 CO -0.04 0.43 0.88 -0.06 0.95 0.00 0.00 175.26 177.43 1be3 s PHE 187 N -0.81 3.50 0.00 4.83 0.40 -1.26 -0.96 117.98 123.67 1be3 s PHE 187 Ca 0.09 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.83 1be3 s PHE 187 Cb -0.09 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.39 1be3 s PHE 187 CO 0.02 -0.17 0.00 0.25 0.70 0.00 0.00 175.22 176.02 1be3 n THR 188 N 4.46 0.00 -0.50 0.64 -2.24 -0.51 -4.94 114.28 111.18 1be3 n THR 188 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 1be3 n THR 188 Cb 0.49 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.97 1be3 n THR 188 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1be3 s SER 189 N -1.00 1.09 0.42 3.42 1.04 -1.26 -4.74 113.70 112.66 1be3 s SER 189 Ca 0.00 1.67 0.23 0.00 0.48 0.00 0.00 55.95 58.33 1be3 s SER 189 Cb 0.00 -2.39 1.22 0.00 0.10 0.00 0.00 66.02 64.95 1be3 s SER 189 CO 0.00 -4.16 1.73 0.44 0.98 0.00 0.00 173.24 172.23 1be3 h ASP 190 N -2.59 0.36 0.38 7.02 5.19 -2.03 0.20 116.42 124.94 1be3 h ASP 190 Ca -0.59 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1be3 h ASP 190 Cb 1.32 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1be3 h ASP 190 CO 0.48 0.01 -0.82 -0.90 -3.12 0.00 0.00 179.24 174.89 1be3 n ASP 191 N -4.61 0.66 -4.64 6.45 5.75 -1.26 -4.92 116.55 113.97 1be3 n ASP 191 Ca 0.28 -0.39 -0.35 0.00 -0.01 0.00 0.00 54.79 54.33 1be3 n ASP 191 Cb 1.05 0.63 -0.10 0.00 -1.03 0.00 0.00 41.12 41.67 1be3 n ASP 191 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1be3 s MET 192 N -3.08 3.15 -0.05 0.11 -1.94 0.71 -4.34 119.30 113.86 1be3 s MET 192 Ca 0.07 -0.43 -0.01 0.00 -1.71 0.00 0.00 55.69 53.62 1be3 s MET 192 Cb 0.16 -2.83 0.03 0.00 2.01 0.00 0.00 34.83 34.19 1be3 s MET 192 CO 0.78 0.60 0.00 0.54 -0.01 0.00 0.00 175.02 176.92 1be3 s VAL 193 N -0.59 0.29 -0.45 -6.03 0.11 -1.25 -1.42 120.40 111.06 1be3 s VAL 193 Ca 0.10 0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 59.17 1be3 s VAL 193 Cb -0.12 -0.42 0.11 0.00 -1.53 0.00 0.00 36.38 34.42 1be3 s VAL 193 CO 0.02 0.22 0.31 -0.63 -3.33 0.00 0.00 175.10 171.69 1be3 s ILE 194 N 1.59 4.15 0.14 7.04 -1.09 -0.14 -1.92 121.20 130.97 1be3 s ILE 194 Ca -0.01 -1.71 -0.30 0.00 -2.23 0.00 0.00 60.65 56.40 1be3 s ILE 194 Cb -0.13 -3.69 -0.07 0.00 -1.58 0.00 0.00 42.46 37.00 1be3 s ILE 194 CO -0.03 -0.70 1.01 -0.69 -1.23 0.00 0.00 174.94 173.30 1be3 s VAL 195 N 1.36 4.25 0.00 2.92 1.01 -0.91 -2.46 120.40 126.57 1be3 s VAL 195 Ca 0.05 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.94 1be3 s VAL 195 Cb -0.25 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1be3 s VAL 195 CO -0.00 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.02