#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxh s ASP 2 N 0.00 5.73 -0.25 0.00 1.01 -1.26 -5.07 116.67 116.83 1bxh s ASP 2 Ca 0.00 0.43 -0.04 0.00 0.71 0.00 0.00 52.55 53.66 1bxh s ASP 2 Cb 0.00 -1.58 0.01 0.00 1.01 0.00 0.00 42.92 42.36 1bxh s ASP 2 CO 0.00 -0.84 -0.02 -0.89 0.21 0.00 0.00 175.17 173.63 1bxh s THR 3 N -2.72 3.32 -0.03 -1.27 2.01 -1.26 -5.02 115.64 110.67 1bxh s THR 3 Ca 0.51 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.82 1bxh s THR 3 Cb -0.10 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 1bxh s THR 3 CO 0.41 0.25 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.70 1bxh s ILE 4 N 1.42 2.04 -0.08 1.82 -1.09 -1.26 -3.34 121.20 120.72 1bxh s ILE 4 Ca 0.03 -1.09 0.01 0.00 -2.23 0.00 0.00 60.65 57.37 1bxh s ILE 4 Cb -0.16 -1.70 0.02 0.00 -1.58 0.00 0.00 42.46 39.04 1bxh s ILE 4 CO -0.02 0.57 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.47 1bxh s VAL 5 N -0.47 1.06 0.09 2.92 1.01 -0.95 0.20 120.40 124.26 1bxh s VAL 5 Ca 0.06 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1bxh s VAL 5 Cb -0.11 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1bxh s VAL 5 CO 0.00 0.35 0.29 0.00 0.00 0.00 0.00 175.10 175.74 1bxh s ALA 6 N 0.97 -0.59 -0.24 5.51 0.00 0.12 -1.14 121.76 126.39 1bxh s ALA 6 Ca -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1bxh s ALA 6 Cb -0.15 0.51 0.04 0.00 0.00 0.00 0.00 23.12 23.52 1bxh s ALA 6 CO 0.00 -0.53 -0.11 0.08 0.00 0.00 0.00 175.76 175.21 1bxh s VAL 7 N -3.49 2.41 -0.01 0.00 1.01 -0.49 0.43 120.40 120.26 1bxh s VAL 7 Ca 0.02 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 1bxh s VAL 7 Cb 0.02 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1bxh s VAL 7 CO -0.09 0.15 0.14 -1.83 0.00 0.00 0.00 175.10 173.47 1bxh s GLU 8 N 1.22 3.29 -0.68 2.72 -1.05 0.09 -1.63 118.70 122.66 1bxh s GLU 8 Ca -0.03 -0.37 -0.03 0.00 -0.15 0.00 0.00 54.97 54.38 1bxh s GLU 8 Cb -0.17 -3.01 0.18 0.00 -0.44 0.00 0.00 34.13 30.68 1bxh s GLU 8 CO -0.06 0.67 0.52 -0.51 0.95 0.00 0.00 175.26 176.82 1bxh s LEU 9 N -1.80 5.39 -0.39 1.83 1.02 0.93 -1.41 118.68 124.26 1bxh s LEU 9 Ca 0.25 -2.99 -0.23 0.00 0.02 0.00 0.00 54.13 51.18 1bxh s LEU 9 Cb -0.12 -1.89 0.01 0.00 0.02 0.00 0.00 46.19 44.21 1bxh s LEU 9 CO 0.16 -0.35 0.76 -0.62 0.02 0.00 0.00 176.35 176.32 1bxh s ASP 10 N 0.64 6.50 0.14 2.29 -1.08 0.53 -1.80 116.67 123.88 1bxh s ASP 10 Ca 0.19 0.20 0.23 0.00 -0.52 0.00 0.00 52.55 52.64 1bxh s ASP 10 Cb -0.18 -2.38 0.04 0.00 -1.46 0.00 0.00 42.92 38.94 1bxh s ASP 10 CO -0.05 -0.77 1.04 0.35 0.52 0.00 0.00 175.17 176.27 1bxh n THR 11 N 5.86 0.43 -4.22 1.71 -2.24 -1.05 -1.10 114.28 113.68 1bxh n THR 11 Ca 0.02 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 61.03 1bxh n THR 11 Cb 0.48 -0.16 -0.16 0.00 -2.10 0.00 0.00 70.33 68.39 1bxh n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bxh s TYR 12 N -3.31 2.80 -0.55 4.78 5.04 -1.24 -4.53 117.35 120.34 1bxh s TYR 12 Ca 0.01 -1.36 -0.28 0.00 -2.44 0.00 0.00 57.07 53.01 1bxh s TYR 12 Cb 0.12 -1.94 0.00 0.00 0.35 0.00 0.00 41.96 40.49 1bxh s TYR 12 CO 0.79 -0.67 1.55 -2.14 -1.34 0.00 0.00 175.55 173.74 1bxh s PRO 13 N 1.18 3.16 -1.06 4.97 0.02 -1.26 -4.91 135.00 137.09 1bxh s PRO 13 Ca 0.02 0.57 -0.04 0.00 0.02 0.00 0.00 61.00 61.57 1bxh s PRO 13 Cb -0.14 -4.19 0.30 0.00 0.02 0.00 0.00 34.50 30.49 1bxh s PRO 13 CO -0.07 -2.11 1.41 0.09 -0.33 0.00 0.00 177.00 175.99 1bxh n ASN 14 N 10.33 6.20 -0.25 2.53 4.13 -1.26 -4.85 115.26 132.10 1bxh n ASN 14 Ca 0.15 -3.38 0.24 0.00 1.68 0.00 0.00 54.58 53.26 1bxh n ASN 14 Cb 0.49 -1.25 0.59 0.00 -1.54 0.00 0.00 39.78 38.07 1bxh n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1bxh h THR 15 N 3.44 0.59 0.00 3.41 1.35 -1.82 -0.01 112.91 119.87 1bxh h THR 15 Ca 0.20 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1bxh h THR 15 Cb 0.64 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1bxh h THR 15 CO 1.28 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 175.70 1bxh n ASP 16 N -4.44 0.00 -0.12 5.36 3.85 -1.26 -1.55 116.55 118.39 1bxh n ASP 16 Ca 0.21 -0.21 0.06 0.00 -0.71 0.00 0.00 54.79 54.14 1bxh n ASP 16 Cb 0.85 -0.14 0.09 0.00 -1.35 0.00 0.00 41.12 40.57 1bxh n ASP 16 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.20 178.49 1bxh n ILE 17 N -1.14 1.39 0.00 2.12 -5.35 -0.04 -4.99 119.36 111.36 1bxh n ILE 17 Ca 0.09 -1.64 0.00 0.00 -0.27 0.00 0.00 62.75 60.93 1bxh n ILE 17 Cb 0.08 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 1bxh n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bxh n GLY 18 N -1.02 1.42 3.76 3.28 0.00 -0.59 -4.69 105.19 107.35 1bxh n GLY 18 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1bxh n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bxh s ASP 19 N -1.78 5.52 1.08 1.61 1.01 -1.10 -4.93 116.67 118.09 1bxh s ASP 19 Ca 0.00 2.84 -0.15 0.00 0.71 0.00 0.00 52.55 55.95 1bxh s ASP 19 Cb 0.00 -2.64 0.23 0.00 1.01 0.00 0.00 42.92 41.52 1bxh s ASP 19 CO 0.00 -1.41 1.09 -2.84 0.21 0.00 0.00 175.17 172.22 1bxh s PRO 20 N -2.71 -0.24 -0.45 8.23 0.02 -1.26 -4.03 135.00 134.55 1bxh s PRO 20 Ca 0.67 0.34 -0.03 0.00 0.02 0.00 0.00 61.00 62.00 1bxh s PRO 20 Cb -0.42 -1.67 0.11 0.00 0.02 0.00 0.00 34.50 32.54 1bxh s PRO 20 CO 0.51 -3.14 2.59 -1.13 -0.33 0.00 0.00 177.00 175.50 1bxh n SER 21 N -4.43 6.56 -3.56 2.53 3.41 -1.26 -4.59 113.62 112.28 1bxh n SER 21 Ca 0.07 -3.23 -0.07 0.00 -0.26 0.00 0.00 58.87 55.38 1bxh n SER 21 Cb 0.58 -1.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 1bxh n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1bxh s TYR 22 N -1.91 -0.26 0.36 7.33 -0.85 -1.26 -5.00 117.35 115.77 1bxh s TYR 22 Ca 0.54 0.27 -0.26 0.00 -0.52 0.00 0.00 57.07 57.10 1bxh s TYR 22 Cb 0.37 0.51 -0.12 0.00 0.38 0.00 0.00 41.96 43.09 1bxh s TYR 22 CO -0.19 -0.35 0.94 -2.30 -1.52 0.00 0.00 175.55 172.13 1bxh n PRO 23 N 0.11 1.24 -3.74 -3.49 -0.02 -1.26 -4.74 135.00 123.10 1bxh n PRO 23 Ca -0.06 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.77 1bxh n PRO 23 Cb 0.59 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 1bxh n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1bxh s HIS 24 N -1.21 -0.16 -0.01 6.00 -3.43 -0.26 -1.54 115.29 114.68 1bxh s HIS 24 Ca 0.61 -0.19 0.05 0.00 -0.80 0.00 0.00 55.06 54.74 1bxh s HIS 24 Cb -0.63 0.47 -0.03 0.00 -1.43 0.00 0.00 32.58 30.96 1bxh s HIS 24 CO 0.58 -0.98 -0.17 0.96 -2.00 0.00 0.00 174.74 173.13 1bxh s ILE 25 N -3.88 2.83 0.19 -5.38 -4.36 -0.77 -0.34 121.20 109.50 1bxh s ILE 25 Ca 0.09 -0.95 -0.08 0.00 -0.26 0.00 0.00 60.65 59.45 1bxh s ILE 25 Cb -0.02 -2.13 -0.01 0.00 1.25 0.00 0.00 42.46 41.55 1bxh s ILE 25 CO -0.01 0.49 0.30 -0.83 0.24 0.00 0.00 174.94 175.13 1bxh s GLY 26 N -0.99 0.71 -0.25 6.27 0.00 -0.50 -1.36 107.32 111.20 1bxh s GLY 26 Ca 0.13 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 1bxh s GLY 26 CO 0.02 -0.91 -0.02 -0.42 0.00 0.00 0.00 173.10 171.77 1bxh s ILE 27 N -4.02 3.32 -0.24 0.90 1.01 -0.77 -0.73 121.20 120.67 1bxh s ILE 27 Ca 0.23 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1bxh s ILE 27 Cb 0.03 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1bxh s ILE 27 CO 0.05 0.25 0.07 -1.81 0.00 0.00 0.00 174.94 173.50 1bxh s ASP 28 N 1.42 5.12 -0.42 3.58 1.01 0.17 -1.07 116.67 126.48 1bxh s ASP 28 Ca 0.03 -0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.04 1bxh s ASP 28 Cb -0.16 -1.92 0.11 0.00 1.01 0.00 0.00 42.92 41.97 1bxh s ASP 28 CO -0.02 -0.02 0.24 -0.63 0.21 0.00 0.00 175.17 174.94 1bxh s ILE 29 N 1.55 3.52 -2.06 0.77 -1.09 -1.26 -0.70 121.20 121.93 1bxh s ILE 29 Ca 0.06 -1.99 0.00 0.00 -2.23 0.00 0.00 60.65 56.50 1bxh s ILE 29 Cb -0.15 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1bxh s ILE 29 CO 0.03 -0.71 0.00 0.29 -1.23 0.00 0.00 174.94 173.32 1bxh n LYS 30 N 4.67 -1.46 -3.60 2.79 5.02 0.13 -4.93 118.16 120.78 1bxh n LYS 30 Ca -0.04 1.15 -0.13 0.00 -2.02 0.00 0.00 58.31 57.27 1bxh n LYS 30 Cb 0.41 -5.54 -0.07 0.00 -0.02 0.00 0.00 35.03 29.82 1bxh n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1bxh s SER 31 N -2.62 -0.59 0.19 4.39 0.15 -1.26 -4.94 113.70 109.01 1bxh s SER 31 Ca 0.00 0.98 0.22 0.00 0.70 0.00 0.00 55.95 57.85 1bxh s SER 31 Cb 0.00 0.94 0.90 0.00 -1.71 0.00 0.00 66.02 66.15 1bxh s SER 31 CO 0.00 -0.31 1.68 0.55 1.20 0.00 0.00 173.24 176.36 1bxh n VAL 32 N 1.90 0.79 -2.75 4.45 3.14 -1.26 -4.19 118.33 120.40 1bxh n VAL 32 Ca -0.14 0.15 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1bxh n VAL 32 Cb 0.56 -1.02 -0.03 0.00 -1.06 0.00 0.00 33.84 32.30 1bxh n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1bxh s ARG 33 N -3.21 3.59 0.13 1.45 0.52 -1.26 -4.97 118.95 115.20 1bxh s ARG 33 Ca 0.06 -1.45 -0.33 0.00 -0.52 0.00 0.00 55.73 53.49 1bxh s ARG 33 Cb 0.10 -5.13 -0.18 0.00 0.52 0.00 0.00 34.95 30.26 1bxh s ARG 33 CO 0.40 -1.99 0.91 0.43 0.02 0.00 0.00 175.30 175.08 1bxh n SER 34 N 7.70 0.03 0.22 0.23 7.64 -1.26 -4.84 113.62 123.34 1bxh n SER 34 Ca 0.28 1.15 0.10 0.00 1.01 0.00 0.00 58.87 61.40 1bxh n SER 34 Cb 0.50 -1.03 0.47 0.00 -1.01 0.00 0.00 64.21 63.14 1bxh n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1bxh h LYS 35 N 2.42 0.00 -1.92 1.43 1.79 -1.44 -3.45 116.57 115.40 1bxh h LYS 35 Ca -0.41 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.06 1bxh h LYS 35 Cb 1.40 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.83 1bxh h LYS 35 CO 0.64 0.23 0.16 0.21 -1.08 0.00 0.00 179.45 179.61 1bxh s LYS 36 N -3.71 0.74 0.34 3.15 2.20 -1.25 -5.02 119.74 116.19 1bxh s LYS 36 Ca 0.00 0.98 0.03 0.00 -0.36 0.00 0.00 55.97 56.63 1bxh s LYS 36 Cb 0.11 0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 36.68 1bxh s LYS 36 CO 0.64 -0.11 0.08 0.95 -0.36 0.00 0.00 175.35 176.55 1bxh s THR 37 N 0.70 0.95 -0.12 3.43 -4.23 -1.26 -1.84 115.64 113.26 1bxh s THR 37 Ca -0.02 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.36 1bxh s THR 37 Cb -0.05 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 71.17 1bxh s THR 37 CO -0.06 0.00 0.35 0.00 -0.54 0.00 0.00 174.62 174.37 1bxh s ALA 38 N -3.34 -0.87 0.32 3.99 0.00 -0.46 -4.99 121.76 116.41 1bxh s ALA 38 Ca 0.33 0.94 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 1bxh s ALA 38 Cb 0.07 -0.52 -0.11 0.00 0.00 0.00 0.00 23.12 22.56 1bxh s ALA 38 CO 0.15 -0.18 1.43 0.21 0.00 0.00 0.00 175.76 177.37 1bxh s LYS 39 N 0.06 4.23 -0.15 0.00 2.20 -1.26 -1.85 119.74 122.96 1bxh s LYS 39 Ca -0.01 2.39 -0.00 0.00 -0.36 0.00 0.00 55.97 57.98 1bxh s LYS 39 Cb -0.03 -3.04 0.04 0.00 -1.51 0.00 0.00 37.83 33.29 1bxh s LYS 39 CO 0.01 -0.41 -0.06 -0.46 -0.36 0.00 0.00 175.35 174.07 1bxh s TRP 40 N -0.70 1.67 -1.21 4.03 -0.00 -0.59 -4.74 118.94 117.39 1bxh s TRP 40 Ca 0.54 -1.01 -0.17 0.00 -0.00 0.00 0.00 56.10 55.47 1bxh s TRP 40 Cb -0.43 -1.31 0.12 0.00 -0.00 0.00 0.00 33.47 31.85 1bxh s TRP 40 CO 0.53 -0.59 1.54 -0.80 -0.00 0.00 0.00 176.95 177.63 1bxh s ASN 41 N 1.65 6.90 0.33 5.86 0.01 -1.26 -4.34 114.94 124.08 1bxh s ASN 41 Ca 0.02 -2.58 -0.29 0.00 -0.71 0.00 0.00 52.86 49.30 1bxh s ASN 41 Cb -0.15 -2.49 -0.11 0.00 0.41 0.00 0.00 41.25 38.92 1bxh s ASN 41 CO -0.08 -1.00 1.41 -0.32 -1.51 0.00 0.00 177.10 175.60 1bxh s MET 42 N 3.02 4.24 -0.34 -0.60 -2.45 -1.26 -5.00 119.30 116.91 1bxh s MET 42 Ca 0.47 2.38 -0.01 0.00 -1.25 0.00 0.00 55.69 57.28 1bxh s MET 42 Cb 0.00 -3.04 0.08 0.00 1.25 0.00 0.00 34.83 33.12 1bxh s MET 42 CO 0.02 -0.38 0.07 -0.65 1.05 0.00 0.00 175.02 175.13 1bxh s GLN 43 N -1.56 2.11 0.18 4.11 -0.21 -1.26 -5.09 119.66 117.94 1bxh s GLN 43 Ca 0.53 -1.57 -0.33 0.00 0.02 0.00 0.00 55.36 54.01 1bxh s GLN 43 Cb -0.43 -3.30 -0.14 0.00 1.00 0.00 0.00 33.01 30.13 1bxh s GLN 43 CO 0.54 -0.83 1.42 -1.71 -2.12 0.00 0.00 175.29 172.60 1bxh n ASN 44 N 4.54 2.51 0.00 5.90 2.85 -1.26 -2.39 115.26 127.41 1bxh n ASN 44 Ca -0.07 1.12 0.00 0.00 -0.11 0.00 0.00 54.58 55.52 1bxh n ASN 44 Cb 0.42 -1.36 0.00 0.00 1.24 0.00 0.00 39.78 40.08 1bxh n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bxh n GLY 45 N 2.61 2.68 3.82 8.20 0.00 -0.27 -5.00 105.19 117.23 1bxh n GLY 45 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1bxh n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bxh s LYS 46 N -0.00 3.09 -0.00 1.61 1.02 -1.01 -4.94 119.74 119.51 1bxh s LYS 46 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1bxh s LYS 46 Cb 0.00 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1bxh s LYS 46 CO 0.00 0.60 1.03 0.08 -0.92 0.00 0.00 175.35 176.14 1bxh s VAL 47 N -1.37 4.69 0.43 3.17 1.01 -1.26 -4.25 120.40 122.82 1bxh s VAL 47 Ca 0.29 1.93 0.04 0.00 0.00 0.00 0.00 61.98 64.24 1bxh s VAL 47 Cb -0.12 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1bxh s VAL 47 CO 0.21 0.13 0.02 -0.83 0.00 0.00 0.00 175.10 174.64 1bxh s GLY 48 N 1.04 2.65 0.02 4.51 0.00 -0.12 -4.58 107.32 110.85 1bxh s GLY 48 Ca 0.53 -1.52 0.04 0.00 0.00 0.00 0.00 44.72 43.77 1bxh s GLY 48 CO 0.27 -2.08 -0.11 -1.59 0.00 0.00 0.00 173.10 169.59 1bxh s THR 49 N -2.88 0.89 -0.02 0.90 2.01 -0.07 -1.37 115.64 115.10 1bxh s THR 49 Ca 0.24 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.52 1bxh s THR 49 Cb 0.06 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 1bxh s THR 49 CO 0.12 0.03 -0.18 0.00 -0.69 0.00 0.00 174.62 173.91 1bxh s ALA 50 N -0.68 1.49 -0.08 7.40 0.00 -0.61 -1.04 121.76 128.24 1bxh s ALA 50 Ca 0.01 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1bxh s ALA 50 Cb -0.06 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1bxh s ALA 50 CO 0.01 0.35 -0.10 -1.01 0.00 0.00 0.00 175.76 175.01 1bxh s HIS 51 N -0.37 1.43 -0.07 0.00 3.76 0.67 -2.55 115.29 118.16 1bxh s HIS 51 Ca 0.06 -0.58 0.05 0.00 -0.15 0.00 0.00 55.06 54.43 1bxh s HIS 51 Cb -0.07 -1.10 -0.00 0.00 1.11 0.00 0.00 32.58 32.52 1bxh s HIS 51 CO -0.00 -0.35 -0.21 0.42 -0.85 0.00 0.00 174.74 173.74 1bxh s ILE 52 N 1.00 1.81 0.06 0.60 1.09 -0.18 -0.97 121.20 124.61 1bxh s ILE 52 Ca -0.08 -0.91 0.02 0.00 -1.10 0.00 0.00 60.65 58.58 1bxh s ILE 52 Cb -0.15 -1.56 -0.03 0.00 -1.06 0.00 0.00 42.46 39.67 1bxh s ILE 52 CO -0.00 0.51 -0.07 0.27 -0.10 0.00 0.00 174.94 175.54 1bxh s ILE 53 N 0.13 0.59 -0.21 2.92 -4.36 0.01 -0.97 121.20 119.31 1bxh s ILE 53 Ca -0.10 -1.45 -0.27 0.00 -0.26 0.00 0.00 60.65 58.58 1bxh s ILE 53 Cb -0.15 -1.07 0.09 0.00 1.25 0.00 0.00 42.46 42.59 1bxh s ILE 53 CO 0.05 -0.60 0.84 -0.47 0.24 0.00 0.00 174.94 175.01 1bxh s TYR 54 N -2.36 -0.60 -0.05 1.37 5.04 -0.93 -1.73 117.35 118.10 1bxh s TYR 54 Ca -0.01 1.33 -0.09 0.00 -2.44 0.00 0.00 57.07 55.86 1bxh s TYR 54 Cb -0.03 0.36 0.02 0.00 0.35 0.00 0.00 41.96 42.65 1bxh s TYR 54 CO -0.02 -0.38 0.22 0.54 -1.34 0.00 0.00 175.55 174.56 1bxh s ASN 55 N -0.25 -0.15 0.27 4.32 2.20 -1.26 -1.54 114.94 118.53 1bxh s ASN 55 Ca -0.02 0.19 0.23 0.00 -0.94 0.00 0.00 52.86 52.33 1bxh s ASN 55 Cb -0.03 0.36 1.01 0.00 -2.00 0.00 0.00 41.25 40.59 1bxh s ASN 55 CO 0.01 -0.23 1.70 -1.54 -2.94 0.00 0.00 177.10 174.10 1bxh n SER 56 N 2.21 0.65 -0.03 3.54 3.41 0.61 -0.91 113.62 123.09 1bxh n SER 56 Ca -0.17 0.68 -0.13 0.00 -0.26 0.00 0.00 58.87 58.99 1bxh n SER 56 Cb 0.57 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.60 1bxh n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1bxh h VAL 57 N 0.00 1.52 0.00 -3.33 2.07 -1.90 -3.31 116.25 111.30 1bxh h VAL 57 Ca 0.00 -1.56 -0.14 0.00 0.82 0.00 0.00 66.70 65.82 1bxh h VAL 57 Cb 0.30 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1bxh h VAL 57 CO 0.00 0.41 -0.88 0.44 0.02 0.00 0.00 177.57 177.56 1bxh h ASP 58 N -0.62 0.00 -5.98 0.57 3.32 -1.96 -3.48 116.42 108.27 1bxh h ASP 58 Ca -0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 1bxh h ASP 58 Cb 0.68 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.33 1bxh h ASP 58 CO 0.00 0.57 -0.87 0.29 -1.72 0.00 0.00 179.24 177.51 1bxh n LYS 59 N -3.11 -3.02 -3.68 3.56 5.02 -0.09 -4.88 118.16 111.96 1bxh n LYS 59 Ca -0.02 0.62 -0.20 0.00 -2.02 0.00 0.00 58.31 56.69 1bxh n LYS 59 Cb 0.79 -4.98 -0.18 0.00 -0.02 0.00 0.00 35.03 30.65 1bxh n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1bxh s ARG 60 N -5.59 -0.05 -0.31 1.97 3.52 -1.25 -1.62 118.95 115.61 1bxh s ARG 60 Ca 0.27 0.35 -0.14 0.00 -0.13 0.00 0.00 55.73 56.08 1bxh s ARG 60 Cb -0.07 -0.51 -0.02 0.00 -1.56 0.00 0.00 34.95 32.78 1bxh s ARG 60 CO 0.81 -0.32 0.34 -1.17 -0.81 0.00 0.00 175.30 174.15 1bxh s LEU 61 N 2.08 4.27 0.14 -0.88 2.96 -0.51 -4.19 118.68 122.56 1bxh s LEU 61 Ca 0.04 -0.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.98 1bxh s LEU 61 Cb -0.12 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 1bxh s LEU 61 CO -0.03 -0.26 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.09 1bxh s SER 62 N 1.71 2.90 -0.01 3.68 0.01 -0.70 -1.58 113.70 119.70 1bxh s SER 62 Ca 0.12 -0.79 -0.04 0.00 1.31 0.00 0.00 55.95 56.55 1bxh s SER 62 Cb -0.16 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1bxh s SER 62 CO 0.11 0.06 0.09 0.00 0.41 0.00 0.00 173.24 173.92 1bxh s ALA 63 N -1.51 -0.22 -0.04 1.44 0.00 -0.27 -0.81 121.76 120.35 1bxh s ALA 63 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1bxh s ALA 63 Cb -0.08 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.05 1bxh s ALA 63 CO 0.06 -0.13 -0.01 0.08 0.00 0.00 0.00 175.76 175.76 1bxh s VAL 64 N -0.76 0.31 -0.01 0.00 1.01 -0.15 -1.88 120.40 118.92 1bxh s VAL 64 Ca -0.08 0.02 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1bxh s VAL 64 Cb -0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1bxh s VAL 64 CO 0.00 0.18 -0.21 -0.69 0.00 0.00 0.00 175.10 174.38 1bxh s VAL 65 N 1.05 1.67 0.23 2.92 1.01 -0.55 -0.24 120.40 126.50 1bxh s VAL 65 Ca -0.09 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 1bxh s VAL 65 Cb -0.14 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.89 1bxh s VAL 65 CO -0.01 0.47 0.65 -0.94 0.00 0.00 0.00 175.10 175.26 1bxh s SER 66 N -0.51 -0.36 0.15 3.32 1.04 -0.21 -1.41 113.70 115.72 1bxh s SER 66 Ca 0.08 -0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.20 1bxh s SER 66 Cb -0.08 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1bxh s SER 66 CO -0.01 -1.18 -0.19 -0.31 0.98 0.00 0.00 173.24 172.53 1bxh s TYR 67 N -3.86 1.84 0.32 5.02 2.02 -1.26 -0.90 117.35 120.54 1bxh s TYR 67 Ca 0.08 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.04 1bxh s TYR 67 Cb -0.04 -0.95 -0.12 0.00 -0.40 0.00 0.00 41.96 40.45 1bxh s TYR 67 CO -0.01 0.30 1.32 -2.30 -1.57 0.00 0.00 175.55 173.29 1bxh n PRO 68 N 0.55 2.13 -3.56 -1.71 -0.02 -1.26 -3.22 135.00 127.92 1bxh n PRO 68 Ca -0.15 0.75 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 1bxh n PRO 68 Cb 0.56 -2.35 0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1bxh n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1bxh n ASN 69 N 1.05 -5.49 -3.61 2.55 4.13 -1.26 -4.98 115.26 107.64 1bxh n ASN 69 Ca 0.06 -0.40 -0.05 0.00 1.68 0.00 0.00 54.58 55.87 1bxh n ASN 69 Cb 0.35 -2.01 -0.03 0.00 -1.54 0.00 0.00 39.78 36.55 1bxh n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bxh s ALA 70 N -2.13 -2.07 0.59 5.41 0.00 -1.20 -5.15 121.76 117.22 1bxh s ALA 70 Ca 0.23 1.72 -0.18 0.00 0.00 0.00 0.00 51.96 53.73 1bxh s ALA 70 Cb -0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1bxh s ALA 70 CO 0.87 -0.40 1.16 -0.51 0.00 0.00 0.00 175.76 176.89 1bxh s ASP 71 N -1.50 5.33 -0.00 0.00 1.01 -1.26 -4.68 116.67 115.57 1bxh s ASP 71 Ca 0.07 2.25 0.03 0.00 0.71 0.00 0.00 52.55 55.61 1bxh s ASP 71 Cb -0.01 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1bxh s ASP 71 CO -0.05 -1.49 -0.06 -0.94 0.21 0.00 0.00 175.17 172.84 1bxh s SER 72 N -1.83 4.68 0.02 0.27 1.04 -1.26 -4.59 113.70 112.03 1bxh s SER 72 Ca 0.74 -0.12 -0.17 0.00 0.48 0.00 0.00 55.95 56.88 1bxh s SER 72 Cb -0.26 -1.11 -0.06 0.00 0.10 0.00 0.00 66.02 64.68 1bxh s SER 72 CO 0.32 0.29 0.47 0.00 0.98 0.00 0.00 173.24 175.30 1bxh s ALA 73 N -0.99 3.65 0.07 5.32 0.00 -0.50 -4.93 121.76 124.38 1bxh s ALA 73 Ca 0.17 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1bxh s ALA 73 Cb -0.11 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1bxh s ALA 73 CO 0.07 0.44 -0.14 0.99 0.00 0.00 0.00 175.76 177.12 1bxh s THR 74 N -1.04 1.10 -0.20 0.00 2.01 -1.26 -1.48 115.64 114.76 1bxh s THR 74 Ca 0.26 -1.25 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 1bxh s THR 74 Cb -0.18 -1.05 0.05 0.00 0.01 0.00 0.00 72.50 71.34 1bxh s THR 74 CO 0.15 -0.19 0.52 0.54 -0.69 0.00 0.00 174.62 174.95 1bxh s VAL 75 N -1.21 -0.00 0.11 3.82 0.11 -0.79 -4.74 120.40 117.70 1bxh s VAL 75 Ca -0.02 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1bxh s VAL 75 Cb -0.10 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1bxh s VAL 75 CO 0.02 0.01 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.31 1bxh s SER 76 N 0.58 1.14 -0.28 3.54 0.01 -1.26 -1.12 113.70 116.31 1bxh s SER 76 Ca -0.02 -1.04 -0.17 0.00 1.31 0.00 0.00 55.95 56.02 1bxh s SER 76 Cb -0.05 0.10 0.09 0.00 0.21 0.00 0.00 66.02 66.38 1bxh s SER 76 CO -0.03 -0.49 0.73 -0.47 0.41 0.00 0.00 173.24 173.39 1bxh s TYR 77 N -3.64 -0.96 -0.05 2.43 5.04 -0.61 -4.98 117.35 114.58 1bxh s TYR 77 Ca 0.15 1.98 -0.30 0.00 -2.44 0.00 0.00 57.07 56.45 1bxh s TYR 77 Cb 0.05 0.55 -0.03 0.00 0.35 0.00 0.00 41.96 42.89 1bxh s TYR 77 CO -0.03 -0.47 1.11 -0.51 -1.34 0.00 0.00 175.55 174.31 1bxh s ASP 78 N 1.40 7.15 -0.28 4.32 1.01 -1.26 -1.42 116.67 127.59 1bxh s ASP 78 Ca -0.08 1.73 -0.17 0.00 0.71 0.00 0.00 52.55 54.74 1bxh s ASP 78 Cb -0.05 -2.56 0.11 0.00 1.01 0.00 0.00 42.92 41.43 1bxh s ASP 78 CO -0.16 -0.49 0.84 0.54 0.21 0.00 0.00 175.17 176.11 1bxh s VAL 79 N 1.88 0.00 -0.46 -1.27 0.11 -0.64 -4.96 120.40 115.06 1bxh s VAL 79 Ca 0.53 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.40 1bxh s VAL 79 Cb -0.23 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1bxh s VAL 79 CO 0.22 0.00 0.55 -0.62 -3.33 0.00 0.00 175.10 171.92 1bxh s ASP 80 N 1.39 6.23 0.51 3.54 -1.08 -1.26 -4.08 116.67 121.93 1bxh s ASP 80 Ca -0.09 -0.70 0.34 0.00 -0.52 0.00 0.00 52.55 51.59 1bxh s ASP 80 Cb -0.04 -2.27 1.73 0.00 -1.46 0.00 0.00 42.92 40.88 1bxh s ASP 80 CO -0.16 -0.74 2.04 -0.07 0.52 0.00 0.00 175.17 176.76 1bxh h LEU 81 N 9.43 0.00 -1.57 -1.34 3.38 -1.97 -2.28 115.31 120.95 1bxh h LEU 81 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1bxh h LEU 81 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1bxh h LEU 81 CO 0.88 0.00 0.21 0.44 0.09 0.00 0.00 178.44 180.06 1bxh h ASP 82 N 0.00 0.43 0.06 -0.43 3.32 -1.92 -0.93 116.42 116.96 1bxh h ASP 82 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1bxh h ASP 82 Cb 0.16 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1bxh h ASP 82 CO 0.00 0.35 -0.04 0.59 -1.72 0.00 0.00 179.24 178.41 1bxh n ASN 83 N -4.45 1.12 -0.01 6.45 3.02 -0.86 -4.38 115.26 116.16 1bxh n ASN 83 Ca 0.02 -1.26 -0.01 0.00 -0.03 0.00 0.00 54.58 53.30 1bxh n ASN 83 Cb 0.09 0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1bxh n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1bxh n VAL 84 N -0.21 0.07 -4.11 2.41 0.31 -0.71 -5.08 118.33 111.01 1bxh n VAL 84 Ca 0.18 -0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 64.20 1bxh n VAL 84 Cb 0.31 -0.59 -0.07 0.00 -0.91 0.00 0.00 33.84 32.58 1bxh n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1bxh s LEU 85 N -5.12 3.60 0.90 7.52 1.43 -0.43 -4.98 118.68 121.60 1bxh s LEU 85 Ca -0.02 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1bxh s LEU 85 Cb 0.00 -2.28 0.13 0.00 0.03 0.00 0.00 46.19 44.08 1bxh s LEU 85 CO 0.03 0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.67 1bxh s PRO 86 N -2.63 1.20 0.40 1.29 0.04 -1.26 -4.77 135.00 129.26 1bxh s PRO 86 Ca 0.28 0.95 0.09 0.00 0.04 0.00 0.00 61.00 62.37 1bxh s PRO 86 Cb -0.11 -1.79 0.88 0.00 0.04 0.00 0.00 34.50 33.51 1bxh s PRO 86 CO 0.20 -2.32 1.97 1.49 0.04 0.00 0.00 177.00 178.39 1bxh h GLU 87 N -1.61 0.57 -5.95 4.56 4.81 -1.94 -3.41 114.58 111.61 1bxh h GLU 87 Ca -0.49 -0.03 -0.68 0.00 -0.13 0.00 0.00 59.36 58.03 1bxh h GLU 87 Cb 1.28 -0.13 -0.27 0.00 0.63 0.00 0.00 28.75 30.26 1bxh h GLU 87 CO 0.52 0.38 -0.80 -1.58 -0.73 0.00 0.00 179.01 176.80 1bxh s TRP 88 N -5.54 2.65 0.34 0.92 0.52 -1.26 -2.13 118.94 114.44 1bxh s TRP 88 Ca -0.09 -0.47 -0.01 0.00 0.02 0.00 0.00 56.10 55.56 1bxh s TRP 88 Cb 0.19 -1.68 -0.00 0.00 -1.15 0.00 0.00 33.47 30.83 1bxh s TRP 88 CO 0.76 -0.05 0.43 0.14 0.02 0.00 0.00 176.95 178.25 1bxh s VAL 89 N -0.25 0.00 0.08 4.03 -7.23 -0.61 -4.31 120.40 112.12 1bxh s VAL 89 Ca 0.00 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 58.58 1bxh s VAL 89 Cb -0.13 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1bxh s VAL 89 CO 0.03 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.46 1bxh s ARG 90 N -3.13 1.31 0.07 4.82 0.52 -0.42 0.25 118.95 122.37 1bxh s ARG 90 Ca 0.33 -1.13 0.07 0.00 -0.52 0.00 0.00 55.73 54.48 1bxh s ARG 90 Cb 0.00 -1.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.87 1bxh s ARG 90 CO 0.22 0.38 -0.13 0.14 0.02 0.00 0.00 175.30 175.93 1bxh s VAL 91 N -1.00 3.18 0.22 3.52 -7.23 -1.26 -1.53 120.40 116.29 1bxh s VAL 91 Ca 0.09 -1.20 -0.16 0.00 -1.81 0.00 0.00 61.98 58.90 1bxh s VAL 91 Cb -0.10 -2.43 0.06 0.00 0.56 0.00 0.00 36.38 34.48 1bxh s VAL 91 CO 0.04 0.22 0.79 0.61 -0.31 0.00 0.00 175.10 176.44 1bxh n GLY 92 N 1.09 0.88 3.32 2.32 0.00 -0.19 -1.27 105.19 111.33 1bxh n GLY 92 Ca -0.15 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1bxh n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxh s LEU 93 N 0.00 2.11 0.03 0.99 1.43 0.16 -0.72 118.68 122.68 1bxh s LEU 93 Ca 0.17 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1bxh s LEU 93 Cb -0.03 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 1bxh s LEU 93 CO 0.07 0.28 -0.06 -0.55 0.23 0.00 0.00 176.35 176.32 1bxh s SER 94 N -0.91 0.58 0.19 2.29 0.15 0.64 -1.04 113.70 115.62 1bxh s SER 94 Ca 0.11 -0.55 -0.18 0.00 0.70 0.00 0.00 55.95 56.02 1bxh s SER 94 Cb -0.10 0.07 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1bxh s SER 94 CO 0.00 -0.26 0.53 0.00 1.20 0.00 0.00 173.24 174.71 1bxh s ALA 95 N -1.55 -1.02 0.30 5.45 0.00 -0.77 0.75 121.76 124.93 1bxh s ALA 95 Ca -0.12 -0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.52 1bxh s ALA 95 Cb -0.09 0.84 0.03 0.00 0.00 0.00 0.00 23.12 23.90 1bxh s ALA 95 CO -0.01 -0.80 0.72 -1.54 0.00 0.00 0.00 175.76 174.14 1bxh s SER 96 N -2.86 -0.19 0.05 0.00 1.04 -1.09 -1.99 113.70 108.67 1bxh s SER 96 Ca 0.08 -0.74 -0.07 0.00 0.48 0.00 0.00 55.95 55.70 1bxh s SER 96 Cb -0.01 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.85 1bxh s SER 96 CO -0.04 -1.41 0.13 0.42 0.98 0.00 0.00 173.24 173.32 1bxh s THR 97 N -3.60 0.14 0.00 2.02 -4.23 -0.24 -0.70 115.64 109.03 1bxh s THR 97 Ca 0.13 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1bxh s THR 97 Cb -0.06 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1bxh s THR 97 CO 0.08 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1bxh n GLY 98 N 0.42 2.98 0.21 3.99 0.00 -1.26 -1.58 105.19 109.95 1bxh n GLY 98 Ca -0.17 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 1bxh n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bxh h LEU 99 N 0.00 0.71-10.06 0.99 5.85 -1.97 -0.41 115.31 110.42 1bxh h LEU 99 Ca 0.00 -0.47 -0.54 0.00 0.84 0.00 0.00 57.88 57.72 1bxh h LEU 99 Cb 0.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1bxh h LEU 99 CO 0.00 1.04 -0.39 -0.31 -0.34 0.00 0.00 178.44 178.44 1bxh s TYR 100 N -4.37 3.48 0.25 1.25 2.02 -1.26 -4.88 117.35 113.84 1bxh s TYR 100 Ca -0.12 0.24 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 1bxh s TYR 100 Cb 0.08 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1bxh s TYR 100 CO 0.82 0.43 0.13 0.36 -1.57 0.00 0.00 175.55 175.72 1bxh n LYS 101 N -0.65 0.54 -3.61 -0.62 0.00 -1.26 -4.45 118.16 108.12 1bxh n LYS 101 Ca -0.06 -2.20 -0.02 0.00 -0.00 0.00 0.00 58.31 56.04 1bxh n LYS 101 Cb 0.54 1.41 -0.01 0.00 -0.00 0.00 0.00 35.03 36.96 1bxh n LYS 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1bxh s GLU 102 N -2.96 0.30 0.23 -1.58 -1.05 -1.08 -3.17 118.70 109.39 1bxh s GLU 102 Ca 0.18 -0.13 -0.18 0.00 -0.15 0.00 0.00 54.97 54.69 1bxh s GLU 102 Cb 0.01 0.12 -0.08 0.00 -0.44 0.00 0.00 34.13 33.74 1bxh s GLU 102 CO 0.13 -0.13 0.70 0.95 0.95 0.00 0.00 175.26 177.85 1bxh s THR 103 N -2.37 4.64 -0.56 1.83 -4.23 0.05 -4.73 115.64 110.28 1bxh s THR 103 Ca 0.11 1.13 0.07 0.00 -1.18 0.00 0.00 61.69 61.82 1bxh s THR 103 Cb 0.01 -3.78 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1bxh s THR 103 CO -0.04 0.13 0.72 0.59 -0.54 0.00 0.00 174.62 175.47 1bxh n ASN 104 N 0.50 2.89 -4.71 3.99 4.13 -1.26 -3.58 115.26 117.20 1bxh n ASN 104 Ca -0.02 -3.28 -0.40 0.00 1.68 0.00 0.00 54.58 52.57 1bxh n ASN 104 Cb 0.52 -0.65 -0.05 0.00 -1.54 0.00 0.00 39.78 38.06 1bxh n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1bxh s THR 105 N -2.42 5.06 -0.24 3.41 2.01 -1.13 -2.07 115.64 120.25 1bxh s THR 105 Ca 0.40 1.38 -0.07 0.00 0.31 0.00 0.00 61.69 63.72 1bxh s THR 105 Cb 0.18 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1bxh s THR 105 CO -0.05 0.24 0.04 -0.63 -0.69 0.00 0.00 174.62 173.54 1bxh s ILE 106 N 0.89 4.11 -0.12 1.82 -1.09 0.70 -0.61 121.20 126.90 1bxh s ILE 106 Ca 0.36 -0.24 0.16 0.00 -2.23 0.00 0.00 60.65 58.70 1bxh s ILE 106 Cb -0.17 -2.91 -0.11 0.00 -1.58 0.00 0.00 42.46 37.68 1bxh s ILE 106 CO 0.17 0.36 0.90 -0.07 -1.23 0.00 0.00 174.94 175.07 1bxh h LEU 107 N 8.16 0.00 -7.00 2.97 4.07 -1.47 -1.58 115.31 120.46 1bxh h LEU 107 Ca -0.39 0.00 0.10 0.00 0.08 0.00 0.00 57.88 57.67 1bxh h LEU 107 Cb 1.17 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.75 1bxh h LEU 107 CO 0.59 0.57 0.49 -0.94 -1.08 0.00 0.00 178.44 178.07 1bxh s SER 108 N -5.86 -0.37 -0.25 -0.43 1.04 -1.23 -4.53 113.70 102.07 1bxh s SER 108 Ca -0.02 0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.34 1bxh s SER 108 Cb 0.09 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.66 1bxh s SER 108 CO 0.80 -0.59 0.60 0.86 0.98 0.00 0.00 173.24 175.90 1bxh s TRP 109 N -2.83 -0.93 0.10 5.02 -0.00 0.18 -2.08 118.94 118.40 1bxh s TRP 109 Ca 0.04 1.88 0.04 0.00 -0.00 0.00 0.00 56.10 58.06 1bxh s TRP 109 Cb -0.01 0.53 -0.04 0.00 -0.00 0.00 0.00 33.47 33.95 1bxh s TRP 109 CO -0.07 -0.48 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.76 1bxh s SER 110 N 1.60 1.49 -0.10 5.86 1.04 0.10 -0.41 113.70 123.28 1bxh s SER 110 Ca -0.10 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.39 1bxh s SER 110 Cb -0.06 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.09 1bxh s SER 110 CO -0.18 -0.27 0.31 0.12 0.98 0.00 0.00 173.24 174.21 1bxh s PHE 111 N -2.50 -0.31 -0.01 5.02 5.36 -0.45 -1.32 117.98 123.78 1bxh s PHE 111 Ca 0.06 0.73 0.01 0.00 -0.96 0.00 0.00 56.93 56.77 1bxh s PHE 111 Cb -0.02 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.77 1bxh s PHE 111 CO 0.00 -0.20 -0.03 0.99 -1.46 0.00 0.00 175.22 174.52 1bxh s THR 112 N -0.09 0.26 -0.01 0.12 2.01 0.22 -1.85 115.64 116.30 1bxh s THR 112 Ca -0.02 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1bxh s THR 112 Cb -0.03 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.24 1bxh s THR 112 CO 0.01 0.10 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.48 1bxh s SER 113 N 0.22 0.23 -0.00 3.53 0.15 0.22 -1.07 113.70 116.97 1bxh s SER 113 Ca -0.02 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.62 1bxh s SER 113 Cb -0.05 -0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1bxh s SER 113 CO -0.00 -0.02 -0.03 -0.54 1.20 0.00 0.00 173.24 173.84 1bxh s LYS 114 N 0.31 0.28 -0.15 5.44 1.02 -0.41 -0.89 119.74 125.34 1bxh s LYS 114 Ca -0.03 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 55.85 1bxh s LYS 114 Cb -0.05 -0.28 0.03 0.00 -0.52 0.00 0.00 37.83 37.01 1bxh s LYS 114 CO -0.01 0.06 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.87 1bxh s LEU 115 N -0.02 1.59 -0.27 3.17 1.43 0.21 -1.66 118.68 123.12 1bxh s LEU 115 Ca 0.01 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 1bxh s LEU 115 Cb -0.02 -1.03 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 1bxh s LEU 115 CO -0.00 -0.11 0.16 -0.54 0.23 0.00 0.00 176.35 176.09 1bxh s LYS 116 N 1.57 3.89 0.54 1.70 -0.14 0.92 -1.07 119.74 127.15 1bxh s LYS 116 Ca 0.04 -0.35 0.09 0.00 -1.36 0.00 0.00 55.97 54.38 1bxh s LYS 116 Cb -0.14 -3.58 0.07 0.00 -1.68 0.00 0.00 37.83 32.51 1bxh s LYS 116 CO -0.09 -0.17 0.74 0.45 -0.76 0.00 0.00 175.35 175.51 1bxh s SER 117 N 1.70 5.19 -0.81 2.83 0.15 -0.98 0.30 113.70 122.09 1bxh s SER 117 Ca 0.07 -0.78 -0.23 0.00 0.70 0.00 0.00 55.95 55.71 1bxh s SER 117 Cb -0.16 0.12 -0.16 0.00 -1.71 0.00 0.00 66.02 64.11 1bxh s SER 117 CO 0.09 -1.22 1.91 0.59 1.20 0.00 0.00 173.24 175.81 1bxh n ASN 118 N -2.15 2.54 -3.63 5.45 4.13 -1.20 -4.67 115.26 115.72 1bxh n ASN 118 Ca 0.14 -2.67 -0.02 0.00 1.68 0.00 0.00 54.58 53.70 1bxh n ASN 118 Cb 0.61 -1.20 -0.00 0.00 -1.54 0.00 0.00 39.78 37.65 1bxh n ASN 118 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1bxh s SER 119 N 5.39 -0.10 -0.11 6.41 0.01 -1.26 -5.09 113.70 118.94 1bxh s SER 119 Ca 0.60 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 57.16 1bxh s SER 119 Cb 0.12 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.73 1bxh s SER 119 CO 0.13 -0.78 1.36 0.42 0.41 0.00 0.00 173.24 174.78 1bxh s THR 120 N -2.79 4.06 -1.39 1.44 -4.23 -1.26 -3.71 115.64 107.76 1bxh s THR 120 Ca 0.16 1.32 -0.02 0.00 -1.18 0.00 0.00 61.69 61.96 1bxh s THR 120 Cb -0.00 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 70.01 1bxh s THR 120 CO 0.02 -0.09 0.05 1.57 -0.54 0.00 0.00 174.62 175.62 1bxh n HIS 121 N 6.47 -1.10 -3.39 3.99 -0.00 -1.26 -4.84 115.22 115.09 1bxh n HIS 121 Ca 0.14 0.54 -0.40 0.00 -0.00 0.00 0.00 57.72 58.00 1bxh n HIS 121 Cb 0.44 -2.38 -0.03 0.00 -0.00 0.00 0.00 29.99 28.03 1bxh n HIS 121 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1bxh n GLU 122 N -4.10 3.34 -4.15 1.57 -0.58 -1.24 -5.03 120.64 110.45 1bxh n GLU 122 Ca -0.25 -4.50 -0.35 0.00 -0.42 0.00 0.00 57.16 51.64 1bxh n GLU 122 Cb 0.59 -2.47 -0.08 0.00 -0.57 0.00 0.00 31.44 28.91 1bxh n GLU 122 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1bxh s THR 123 N -1.72 4.77 -0.09 2.62 2.01 -1.26 -2.32 115.64 119.64 1bxh s THR 123 Ca 0.30 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1bxh s THR 123 Cb -0.04 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 1bxh s THR 123 CO -0.05 0.52 -0.10 0.20 -0.69 0.00 0.00 174.62 174.49 1bxh s ASN 124 N -1.23 4.33 0.05 3.53 -0.87 -0.24 -4.95 114.94 115.56 1bxh s ASN 124 Ca 0.17 -0.17 0.01 0.00 -1.57 0.00 0.00 52.86 51.30 1bxh s ASN 124 Cb -0.12 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.25 39.80 1bxh s ASN 124 CO 0.07 0.28 -0.05 0.00 -2.57 0.00 0.00 177.10 174.83 1bxh s ALA 125 N -0.32 0.55 -0.01 0.60 0.00 -1.26 -0.62 121.76 120.69 1bxh s ALA 125 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1bxh s ALA 125 Cb -0.13 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1bxh s ALA 125 CO 0.02 -0.20 0.01 -1.17 0.00 0.00 0.00 175.76 174.42 1bxh s LEU 126 N -2.28 1.46 -0.12 0.00 2.96 -0.06 -4.99 118.68 115.65 1bxh s LEU 126 Ca -0.01 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.82 1bxh s LEU 126 Cb -0.01 -0.09 0.04 0.00 0.50 0.00 0.00 46.19 46.63 1bxh s LEU 126 CO -0.04 -0.07 0.30 -2.28 -1.32 0.00 0.00 176.35 172.94 1bxh s HIS 127 N 0.63 -0.38 0.01 5.38 5.65 -1.26 -0.61 115.29 124.70 1bxh s HIS 127 Ca -0.05 0.88 -0.02 0.00 0.25 0.00 0.00 55.06 56.12 1bxh s HIS 127 Cb -0.08 0.12 -0.01 0.00 -1.18 0.00 0.00 32.58 31.43 1bxh s HIS 127 CO -0.02 -0.22 0.03 -0.59 -0.65 0.00 0.00 174.74 173.29 1bxh s PHE 128 N 0.85 0.14 -0.04 3.88 -0.12 -0.77 -5.01 117.98 116.91 1bxh s PHE 128 Ca -0.06 -0.29 -0.02 0.00 -0.05 0.00 0.00 56.93 56.51 1bxh s PHE 128 Cb -0.07 -0.11 0.03 0.00 -0.63 0.00 0.00 43.02 42.24 1bxh s PHE 128 CO -0.06 -0.18 0.05 1.41 -0.05 0.00 0.00 175.22 176.39 1bxh s MET 129 N -1.15 -0.07 -0.20 1.99 1.75 -1.26 -1.34 119.30 119.02 1bxh s MET 129 Ca -0.13 0.34 -0.02 0.00 -1.25 0.00 0.00 55.69 54.63 1bxh s MET 129 Cb -0.07 -0.45 -0.00 0.00 2.84 0.00 0.00 34.83 37.14 1bxh s MET 129 CO -0.00 -0.30 -0.09 -0.06 -0.65 0.00 0.00 175.02 173.92 1bxh s PHE 130 N 1.94 2.89 -0.02 4.11 0.08 0.45 -4.92 117.98 122.52 1bxh s PHE 130 Ca 0.02 -1.08 0.02 0.00 0.12 0.00 0.00 56.93 56.02 1bxh s PHE 130 Cb -0.12 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 1bxh s PHE 130 CO -0.03 -0.57 0.06 0.09 -0.10 0.00 0.00 175.22 174.67 1bxh n ASN 131 N 4.58 3.65 -3.77 1.36 3.02 -1.26 -0.65 115.26 122.20 1bxh n ASN 131 Ca -0.19 -0.10 -0.19 0.00 -0.03 0.00 0.00 54.58 54.07 1bxh n ASN 131 Cb 0.51 1.09 -0.17 0.00 -0.61 0.00 0.00 39.78 40.60 1bxh n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1bxh s GLN 132 N -1.99 0.27 -0.22 3.52 2.00 -1.26 -4.69 119.66 117.29 1bxh s GLN 132 Ca -0.01 0.17 -0.08 0.00 -2.00 0.00 0.00 55.36 53.44 1bxh s GLN 132 Cb 0.02 -0.61 -0.04 0.00 0.80 0.00 0.00 33.01 33.18 1bxh s GLN 132 CO 0.10 -0.23 0.08 -0.06 -0.50 0.00 0.00 175.29 174.68 1bxh s PHE 133 N 1.56 3.19 0.44 1.67 0.08 0.24 -5.04 117.98 120.12 1bxh s PHE 133 Ca -0.02 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 56.97 1bxh s PHE 133 Cb -0.13 -2.17 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 1bxh s PHE 133 CO -0.03 -0.06 0.64 -1.54 -0.10 0.00 0.00 175.22 174.13 1bxh s SER 134 N 0.96 5.72 0.26 1.36 1.04 -1.26 -3.75 113.70 118.03 1bxh s SER 134 Ca 0.04 0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.48 1bxh s SER 134 Cb -0.14 -1.22 0.41 0.00 0.10 0.00 0.00 66.02 65.17 1bxh s SER 134 CO 0.03 -0.74 1.88 0.50 0.98 0.00 0.00 173.24 175.88 1bxh h LYS 135 N 0.47 1.12 -3.07 4.02 3.64 -1.90 -3.22 116.57 117.63 1bxh h LYS 135 Ca -0.44 -0.07 -0.65 0.00 -1.27 0.00 0.00 60.65 58.21 1bxh h LYS 135 Cb 1.27 -0.25 -0.39 0.00 -0.41 0.00 0.00 32.23 32.44 1bxh h LYS 135 CO 0.54 0.74 -0.35 -3.47 -2.27 0.00 0.00 179.45 174.63 1bxh n ASP 136 N -4.52 3.66 -4.48 4.20 2.03 -1.26 -4.79 116.55 111.38 1bxh n ASP 136 Ca 0.15 -3.22 -0.43 0.00 0.52 0.00 0.00 54.79 51.81 1bxh n ASP 136 Cb 0.19 -0.87 -0.02 0.00 -0.72 0.00 0.00 41.12 39.69 1bxh n ASP 136 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bxh s GLN 137 N -1.60 3.65 0.17 -0.67 2.00 -1.21 -4.88 119.66 117.12 1bxh s GLN 137 Ca 0.28 -1.68 0.21 0.00 -2.00 0.00 0.00 55.36 52.17 1bxh s GLN 137 Cb -0.03 -5.05 0.87 0.00 0.80 0.00 0.00 33.01 29.60 1bxh s GLN 137 CO -0.13 -1.89 1.64 1.63 -0.50 0.00 0.00 175.29 176.04 1bxh n LYS 138 N 7.08 0.13 -0.19 1.67 5.02 -1.26 -2.69 118.16 127.92 1bxh n LYS 138 Ca 0.28 0.36 0.11 0.00 -2.02 0.00 0.00 58.31 57.03 1bxh n LYS 138 Cb 0.49 -1.75 0.27 0.00 -0.02 0.00 0.00 35.03 34.02 1bxh n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1bxh n ASP 139 N -2.00 2.84 -4.37 4.39 5.68 -1.26 -4.86 116.55 116.97 1bxh n ASP 139 Ca 0.03 -1.92 -0.31 0.00 -0.50 0.00 0.00 54.79 52.08 1bxh n ASP 139 Cb 0.22 -0.25 -0.15 0.00 -1.14 0.00 0.00 41.12 39.80 1bxh n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1bxh s LEU 140 N -1.35 2.28 -0.31 -2.12 1.43 -1.09 -0.62 118.68 116.90 1bxh s LEU 140 Ca 0.37 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 1bxh s LEU 140 Cb 0.20 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.02 1bxh s LEU 140 CO 0.28 0.30 0.15 -0.63 0.23 0.00 0.00 176.35 176.69 1bxh s ILE 141 N -0.72 4.63 -0.14 -0.59 1.01 0.62 -4.86 121.20 121.15 1bxh s ILE 141 Ca 0.11 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 1bxh s ILE 141 Cb -0.10 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1bxh s ILE 141 CO 0.01 0.07 0.26 -0.76 0.00 0.00 0.00 174.94 174.52 1bxh s LEU 142 N 1.62 4.29 0.12 2.97 1.43 -1.26 -1.01 118.68 126.84 1bxh s LEU 142 Ca 0.05 0.52 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 1bxh s LEU 142 Cb -0.17 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1bxh s LEU 142 CO 0.06 0.20 -0.19 -1.10 0.23 0.00 0.00 176.35 175.55 1bxh s GLN 143 N -0.02 1.13 6.29 1.70 -0.21 -0.29 -4.99 119.66 123.27 1bxh s GLN 143 Ca 0.16 -1.21 0.00 0.00 0.02 0.00 0.00 55.36 54.33 1bxh s GLN 143 Cb -0.13 -1.30 0.00 0.00 1.00 0.00 0.00 33.01 32.58 1bxh s GLN 143 CO 0.04 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 1bxh n GLY 144 N 0.89 2.52 0.40 3.09 0.00 -1.26 -1.83 105.19 109.00 1bxh n GLY 144 Ca -0.18 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.51 1bxh n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bxh n ASP 145 N 3.24 1.19 -4.74 1.61 8.00 0.09 -4.94 116.55 120.99 1bxh n ASP 145 Ca 0.00 -1.79 -0.41 0.00 0.71 0.00 0.00 54.79 53.29 1bxh n ASP 145 Cb 0.00 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1bxh n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bxh s ALA 146 N -1.78 3.54 0.09 2.24 0.00 -1.10 -4.26 121.76 120.50 1bxh s ALA 146 Ca 0.24 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 1bxh s ALA 146 Cb 0.12 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1bxh s ALA 146 CO 0.18 -0.57 0.09 0.95 0.00 0.00 0.00 175.76 176.40 1bxh s THR 147 N 0.05 0.16 0.25 0.00 -4.23 -0.46 -4.75 115.64 106.66 1bxh s THR 147 Ca 0.57 -1.58 0.05 0.00 -1.18 0.00 0.00 61.69 59.55 1bxh s THR 147 Cb -0.38 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 1bxh s THR 147 CO 0.40 -0.73 -0.04 0.42 -0.54 0.00 0.00 174.62 174.13 1bxh s THR 148 N -3.93 1.35 0.00 3.99 -4.23 -1.26 -0.82 115.64 110.74 1bxh s THR 148 Ca 0.10 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1bxh s THR 148 Cb 0.06 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1bxh s THR 148 CO -0.07 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1bxh n GLY 149 N -0.49 3.23 3.56 3.99 0.00 -1.13 -4.57 105.19 109.78 1bxh n GLY 149 Ca -0.05 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 1bxh n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxh s THR 150 N -0.09 3.06 0.00 2.61 2.01 -1.26 -1.09 115.64 120.88 1bxh s THR 150 Ca 0.00 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1bxh s THR 150 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1bxh s THR 150 CO 0.00 -0.13 0.00 0.47 -0.69 0.00 0.00 174.62 174.27 1bxh n ASP 151 N 17.96 -3.06 -0.08 3.53 8.00 -1.26 -2.87 116.55 138.77 1bxh n ASP 151 Ca 0.45 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.94 1bxh n ASP 151 Cb 0.44 -0.61 -0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1bxh n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bxh n GLY 152 N -2.83 0.47 3.92 0.44 0.00 -0.25 -4.95 105.19 101.99 1bxh n GLY 152 Ca 0.00 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 1bxh n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bxh s ASN 153 N -2.90 5.26 -0.25 1.61 0.01 -1.14 -0.59 114.94 116.94 1bxh s ASN 153 Ca 0.00 -0.63 -0.05 0.00 -0.71 0.00 0.00 52.86 51.47 1bxh s ASN 153 Cb 0.00 -0.63 -0.00 0.00 0.41 0.00 0.00 41.25 41.03 1bxh s ASN 153 CO 0.00 -0.67 0.02 -0.22 -1.51 0.00 0.00 177.10 174.72 1bxh s LEU 154 N -4.19 3.34 -0.43 0.60 2.96 -0.60 -2.81 118.68 117.55 1bxh s LEU 154 Ca 0.50 -0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 53.75 1bxh s LEU 154 Cb -0.05 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.86 1bxh s LEU 154 CO 0.29 -0.09 0.32 -1.61 -1.32 0.00 0.00 176.35 173.95 1bxh s GLU 155 N 1.50 2.97 0.08 1.98 0.41 -0.00 -0.22 118.70 125.42 1bxh s GLU 155 Ca 0.04 -1.11 -0.17 0.00 -0.41 0.00 0.00 54.97 53.33 1bxh s GLU 155 Cb -0.16 -4.02 -0.10 0.00 -1.78 0.00 0.00 34.13 28.07 1bxh s GLU 155 CO -0.00 -0.82 1.41 -0.07 -0.49 0.00 0.00 175.26 175.28 1bxh h LEU 156 N 8.66 0.61 -9.75 1.80 3.38 -1.69 -1.22 115.31 117.11 1bxh h LEU 156 Ca -0.27 -0.46 -0.53 0.00 0.09 0.00 0.00 57.88 56.70 1bxh h LEU 156 Cb 1.12 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1bxh h LEU 156 CO 0.77 0.95 -0.57 0.42 0.09 0.00 0.00 178.44 180.09 1bxh s THR 157 N -4.39 3.72 0.32 0.22 -4.23 -1.26 -2.70 115.64 107.31 1bxh s THR 157 Ca -0.13 -1.66 -0.29 0.00 -1.18 0.00 0.00 61.69 58.43 1bxh s THR 157 Cb 0.08 -3.08 -0.12 0.00 1.34 0.00 0.00 72.50 70.72 1bxh s THR 157 CO 0.80 -0.32 1.53 -1.14 -0.54 0.00 0.00 174.62 174.95 1bxh n ARG 158 N -1.07 2.61 -3.84 3.99 0.63 -1.26 -4.78 116.66 112.94 1bxh n ARG 158 Ca -0.06 0.92 -0.20 0.00 -0.92 0.00 0.00 57.85 57.59 1bxh n ARG 158 Cb 0.59 -2.67 -0.17 0.00 0.45 0.00 0.00 32.46 30.66 1bxh n ARG 158 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1bxh s VAL 159 N -0.48 0.24 0.80 5.15 1.01 -1.26 -2.08 120.40 123.78 1bxh s VAL 159 Ca 0.60 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.60 1bxh s VAL 159 Cb -0.50 -0.38 0.08 0.00 0.00 0.00 0.00 36.38 35.58 1bxh s VAL 159 CO 0.55 0.20 1.15 -0.94 0.00 0.00 0.00 175.10 176.06 1bxh s SER 160 N 1.58 3.88 0.41 3.32 1.04 -0.04 -4.81 113.70 119.08 1bxh s SER 160 Ca -0.02 2.13 0.18 0.00 0.48 0.00 0.00 55.95 58.73 1bxh s SER 160 Cb -0.13 -2.56 1.10 0.00 0.10 0.00 0.00 66.02 64.53 1bxh s SER 160 CO -0.03 -2.46 1.82 0.77 0.98 0.00 0.00 173.24 174.32 1bxh h SER 161 N -1.06 0.42 0.83 7.02 4.64 -2.01 0.70 113.55 124.09 1bxh h SER 161 Ca -0.45 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1bxh h SER 161 Cb 1.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1bxh h SER 161 CO 0.47 0.14 0.00 -0.55 -0.87 0.00 0.00 176.83 176.02 1bxh h ASN 162 N 0.40 0.00 0.00 4.97 7.08 -2.06 -3.46 115.58 122.51 1bxh h ASN 162 Ca 0.52 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.74 1bxh h ASN 162 Cb 1.32 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.56 1bxh h ASN 162 CO -0.22 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.74 1bxh n GLY 163 N 0.05 0.89 3.81 9.14 0.00 0.24 -5.10 105.19 114.21 1bxh n GLY 163 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1bxh n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bxh s SER 164 N -2.00 6.81 0.67 1.61 1.04 -1.25 -4.78 113.70 115.80 1bxh s SER 164 Ca 0.00 0.97 -0.16 0.00 0.48 0.00 0.00 55.95 57.24 1bxh s SER 164 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1bxh s SER 164 CO 0.00 0.25 1.18 -2.16 0.98 0.00 0.00 173.24 173.49 1bxh s PRO 165 N -0.70 2.59 0.11 4.02 0.04 -1.26 -0.86 135.00 138.94 1bxh s PRO 165 Ca 0.25 1.68 0.05 0.00 0.04 0.00 0.00 61.00 63.02 1bxh s PRO 165 Cb -0.17 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1bxh s PRO 165 CO 0.13 -1.47 -0.01 -0.65 0.04 0.00 0.00 177.00 175.04 1bxh s GLN 166 N -3.77 2.48 0.58 4.56 -1.52 -0.88 -4.85 119.66 116.26 1bxh s GLN 166 Ca 0.73 -0.90 -0.01 0.00 -1.95 0.00 0.00 55.36 53.23 1bxh s GLN 166 Cb -0.27 -2.49 0.04 0.00 -0.22 0.00 0.00 33.01 30.07 1bxh s GLN 166 CO 0.40 0.52 0.84 0.20 -0.25 0.00 0.00 175.29 177.00 1bxh s GLY 167 N -2.41 1.76 -1.38 3.09 0.00 -1.26 -4.37 107.32 102.75 1bxh s GLY 167 Ca 0.26 -1.16 -0.05 0.00 0.00 0.00 0.00 44.72 43.76 1bxh s GLY 167 CO 0.18 -0.86 0.85 1.44 0.00 0.00 0.00 173.10 174.71 1bxh n SER 168 N -2.49 -2.79 -4.37 1.64 7.64 -0.16 -4.88 113.62 108.21 1bxh n SER 168 Ca 0.07 -0.77 -0.29 0.00 1.01 0.00 0.00 58.87 58.89 1bxh n SER 168 Cb 0.60 -4.15 -0.13 0.00 -1.01 0.00 0.00 64.21 59.52 1bxh n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1bxh s SER 169 N -3.94 3.19 -0.10 6.43 0.15 -1.13 -4.95 113.70 113.33 1bxh s SER 169 Ca 0.26 -0.71 -0.06 0.00 0.70 0.00 0.00 55.95 56.14 1bxh s SER 169 Cb -0.13 -0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.00 1bxh s SER 169 CO 0.81 0.18 0.25 0.54 1.20 0.00 0.00 173.24 176.21 1bxh s VAL 170 N -1.02 -0.03 0.06 4.45 0.11 -1.26 -1.08 120.40 121.63 1bxh s VAL 170 Ca 0.13 0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 59.18 1bxh s VAL 170 Cb -0.10 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 1bxh s VAL 170 CO 0.05 0.05 0.23 -0.83 -3.33 0.00 0.00 175.10 171.26 1bxh s GLY 171 N 0.99 0.00 0.05 6.54 0.00 -0.84 -0.73 107.32 113.33 1bxh s GLY 171 Ca -0.07 -0.32 -0.11 0.00 0.00 0.00 0.00 44.72 44.22 1bxh s GLY 171 CO -0.07 -0.51 0.23 0.50 0.00 0.00 0.00 173.10 173.26 1bxh s ARG 172 N -3.05 0.75 -0.05 2.90 0.52 -0.76 -1.84 118.95 117.42 1bxh s ARG 172 Ca -0.01 -0.62 -0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1bxh s ARG 172 Cb 0.01 0.31 0.03 0.00 0.52 0.00 0.00 34.95 35.83 1bxh s ARG 172 CO -0.07 -0.23 0.05 0.00 0.02 0.00 0.00 175.30 175.08 1bxh s ALA 173 N -2.69 0.29 0.03 2.13 0.00 -0.20 -1.14 121.76 120.19 1bxh s ALA 173 Ca -0.04 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.12 1bxh s ALA 173 Cb -0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1bxh s ALA 173 CO -0.04 -0.52 -0.18 -0.51 0.00 0.00 0.00 175.76 174.51 1bxh s LEU 174 N 2.15 2.61 0.29 0.00 1.02 -0.18 -0.67 118.68 123.91 1bxh s LEU 174 Ca 0.05 -0.41 -0.29 0.00 0.02 0.00 0.00 54.13 53.50 1bxh s LEU 174 Cb -0.12 -1.52 -0.10 0.00 0.02 0.00 0.00 46.19 44.47 1bxh s LEU 174 CO -0.03 0.26 1.24 0.12 0.02 0.00 0.00 176.35 177.96 1bxh s PHE 175 N -0.91 3.25 0.12 0.29 5.36 -0.40 -0.28 117.98 125.41 1bxh s PHE 175 Ca 0.14 1.47 -0.23 0.00 -0.96 0.00 0.00 56.93 57.35 1bxh s PHE 175 Cb -0.10 -3.54 -0.06 0.00 -0.34 0.00 0.00 43.02 38.97 1bxh s PHE 175 CO 0.05 -1.46 1.68 -0.92 -1.46 0.00 0.00 175.22 173.12 1bxh h TYR 176 N 3.89 -0.32 -3.81 10.12 3.20 -1.20 -3.43 116.97 125.42 1bxh h TYR 176 Ca -0.47 0.01 -0.50 0.00 3.14 0.00 0.00 58.73 60.91 1bxh h TYR 176 Cb 1.22 0.15 0.01 0.00 1.54 0.00 0.00 36.73 39.65 1bxh h TYR 176 CO 0.58 -0.19 0.46 0.00 -1.64 0.00 0.00 178.16 177.37 1bxh s ALA 177 N -6.15 3.39 0.47 1.82 0.00 -1.26 -5.01 121.76 115.00 1bxh s ALA 177 Ca -0.14 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.45 1bxh s ALA 177 Cb 0.09 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 1bxh s ALA 177 CO 0.67 -0.12 1.17 -2.14 0.00 0.00 0.00 175.76 175.34 1bxh s PRO 178 N -1.46 3.72 -0.12 0.00 0.02 -1.26 -4.81 135.00 131.09 1bxh s PRO 178 Ca 0.45 1.79 -0.02 0.00 0.02 0.00 0.00 61.00 63.24 1bxh s PRO 178 Cb -0.31 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 31.79 1bxh s PRO 178 CO 0.39 -0.59 -0.06 0.08 -0.33 0.00 0.00 177.00 176.50 1bxh s VAL 179 N -1.54 3.74 -0.85 3.83 1.01 0.14 -4.93 120.40 121.79 1bxh s VAL 179 Ca 0.64 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 1bxh s VAL 179 Cb -0.29 -2.59 0.10 0.00 0.00 0.00 0.00 36.38 33.60 1bxh s VAL 179 CO 0.35 0.54 1.11 -2.28 0.00 0.00 0.00 175.10 174.82 1bxh s HIS 180 N -0.08 2.92 -0.17 5.22 2.46 -1.26 -1.57 115.29 122.81 1bxh s HIS 180 Ca 0.01 -1.07 0.26 0.00 0.47 0.00 0.00 55.06 54.73 1bxh s HIS 180 Cb -0.13 -4.33 0.72 0.00 -0.13 0.00 0.00 32.58 28.71 1bxh s HIS 180 CO 0.03 -1.59 1.74 0.97 -2.47 0.00 0.00 174.74 173.43 1bxh h ILE 181 N 5.98 0.15 -2.23 0.89 6.09 -1.75 -3.47 117.51 123.17 1bxh h ILE 181 Ca 0.02 -0.97 0.14 0.00 -1.37 0.00 0.00 64.86 62.69 1bxh h ILE 181 Cb 1.04 1.85 -0.13 0.00 0.47 0.00 0.00 36.82 40.05 1bxh h ILE 181 CO 1.16 0.07 0.52 -1.66 -3.07 0.00 0.00 178.15 175.18 1bxh s TRP 182 N -3.39 -0.26 -0.15 2.19 1.48 -1.24 -4.80 118.94 112.77 1bxh s TRP 182 Ca 0.04 0.08 -0.14 0.00 -1.06 0.00 0.00 56.10 55.02 1bxh s TRP 182 Cb 0.07 0.57 0.04 0.00 -1.16 0.00 0.00 33.47 32.99 1bxh s TRP 182 CO 0.63 -0.60 0.40 -2.00 -4.06 0.00 0.00 176.95 171.32 1bxh s GLU 183 N -3.11 0.47 0.22 3.25 2.12 -1.26 -4.76 118.70 115.64 1bxh s GLU 183 Ca 0.08 0.54 -0.14 0.00 0.36 0.00 0.00 54.97 55.81 1bxh s GLU 183 Cb -0.01 0.23 0.26 0.00 0.26 0.00 0.00 34.13 34.88 1bxh s GLU 183 CO -0.05 -0.06 1.60 0.66 -0.54 0.00 0.00 175.26 176.87 1bxh h SER 184 N 5.47 -0.82 -0.79 -1.70 4.64 -2.02 -1.45 113.55 116.88 1bxh h SER 184 Ca -0.27 0.23 -0.46 0.00 -0.47 0.00 0.00 61.79 60.82 1bxh h SER 184 Cb 1.18 0.50 -0.18 0.00 -0.31 0.00 0.00 62.40 63.59 1bxh h SER 184 CO 0.26 -0.26 0.54 -1.20 -0.87 0.00 0.00 176.83 175.29 1bxh n SER 185 N -5.48 6.78 -4.71 4.97 7.64 -1.26 -4.94 113.62 116.62 1bxh n SER 185 Ca 0.09 -3.28 -0.35 0.00 1.01 0.00 0.00 58.87 56.34 1bxh n SER 185 Cb 0.38 -1.08 -0.08 0.00 -1.01 0.00 0.00 64.21 62.41 1bxh n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bxh s ALA 186 N -2.31 3.60 0.03 -0.43 0.00 -0.55 -3.27 121.76 118.82 1bxh s ALA 186 Ca 0.45 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 1bxh s ALA 186 Cb 0.34 -2.04 -0.31 0.00 0.00 0.00 0.00 23.12 21.10 1bxh s ALA 186 CO -0.08 0.22 1.04 0.28 0.00 0.00 0.00 175.76 177.23 1bxh h VAL 187 N 4.66 1.32 -2.59 0.00 2.07 -0.43 -3.46 116.25 117.81 1bxh h VAL 187 Ca -0.41 -2.52 -0.10 0.00 0.82 0.00 0.00 66.70 64.49 1bxh h VAL 187 Cb 1.16 2.87 -0.25 0.00 -1.52 0.00 0.00 31.29 33.56 1bxh h VAL 187 CO 0.72 0.75 -0.23 -0.69 0.02 0.00 0.00 177.57 178.14 1bxh s VAL 188 N -2.80 -0.01 0.01 2.57 1.01 -1.16 -4.88 120.40 115.13 1bxh s VAL 188 Ca -0.10 0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1bxh s VAL 188 Cb 0.04 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1bxh s VAL 188 CO 0.92 0.02 -0.09 0.00 0.00 0.00 0.00 175.10 175.95 1bxh s ALA 189 N 0.94 0.74 0.05 5.51 0.00 -1.26 -0.05 121.76 127.69 1bxh s ALA 189 Ca -0.06 -0.49 -0.27 0.00 0.00 0.00 0.00 51.96 51.15 1bxh s ALA 189 Cb -0.06 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.00 1bxh s ALA 189 CO -0.08 0.15 0.69 -1.54 0.00 0.00 0.00 175.76 174.98 1bxh s SER 190 N -0.55 -0.55 0.10 0.00 1.04 -0.66 -0.29 113.70 112.79 1bxh s SER 190 Ca 0.01 0.24 -0.05 0.00 0.48 0.00 0.00 55.95 56.62 1bxh s SER 190 Cb -0.05 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 1bxh s SER 190 CO 0.00 -0.78 0.13 0.72 0.98 0.00 0.00 173.24 174.30 1bxh s PHE 191 N -2.75 0.41 -0.09 5.02 -0.12 -0.59 -1.29 117.98 118.58 1bxh s PHE 191 Ca -0.02 -0.85 -0.07 0.00 -0.05 0.00 0.00 56.93 55.94 1bxh s PHE 191 Cb -0.01 -0.21 0.03 0.00 -0.63 0.00 0.00 43.02 42.20 1bxh s PHE 191 CO -0.05 -0.53 0.22 -2.00 -0.05 0.00 0.00 175.22 172.81 1bxh s GLU 192 N -3.93 0.25 0.02 1.99 2.12 -0.24 -2.18 118.70 116.73 1bxh s GLU 192 Ca 0.11 0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.79 1bxh s GLU 192 Cb 0.06 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.52 1bxh s GLU 192 CO -0.07 -0.05 -0.04 0.00 -0.54 0.00 0.00 175.26 174.56 1bxh s ALA 193 N 0.31 0.30 -0.09 6.30 0.00 -0.14 -0.61 121.76 127.82 1bxh s ALA 193 Ca -0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 1bxh s ALA 193 Cb -0.03 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.15 1bxh s ALA 193 CO -0.01 -0.03 0.28 0.99 0.00 0.00 0.00 175.76 176.99 1bxh s THR 194 N -0.86 0.01 -0.12 0.00 2.01 -0.43 -1.01 115.64 115.23 1bxh s THR 194 Ca -0.07 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 1bxh s THR 194 Cb -0.06 -0.42 0.05 0.00 0.01 0.00 0.00 72.50 72.08 1bxh s THR 194 CO -0.00 -0.05 0.54 0.72 -0.69 0.00 0.00 174.62 175.14 1bxh s PHE 195 N -0.07 -0.53 -0.05 4.92 -0.71 -1.06 0.02 117.98 120.50 1bxh s PHE 195 Ca -0.02 1.13 0.00 0.00 -1.04 0.00 0.00 56.93 57.00 1bxh s PHE 195 Cb -0.03 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1bxh s PHE 195 CO 0.01 -0.40 -0.02 0.95 -1.34 0.00 0.00 175.22 174.42 1bxh s THR 196 N -0.46 4.05 0.16 -4.49 -4.23 -0.88 -1.57 115.64 108.22 1bxh s THR 196 Ca -0.06 -0.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.01 1bxh s THR 196 Cb -0.03 -2.73 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 1bxh s THR 196 CO 0.04 0.52 -0.02 0.72 -0.54 0.00 0.00 174.62 175.34 1bxh s PHE 197 N -0.93 1.20 -0.24 3.99 -0.12 -0.47 -1.24 117.98 120.16 1bxh s PHE 197 Ca 0.15 -0.96 -0.02 0.00 -0.05 0.00 0.00 56.93 56.04 1bxh s PHE 197 Cb -0.11 -0.68 0.08 0.00 -0.63 0.00 0.00 43.02 41.68 1bxh s PHE 197 CO 0.05 -0.15 0.07 -1.17 -0.05 0.00 0.00 175.22 173.96 1bxh s LEU 198 N -3.16 1.37 -0.32 -1.99 2.96 0.23 -0.94 118.68 116.83 1bxh s LEU 198 Ca 0.22 -1.11 -0.11 0.00 -0.22 0.00 0.00 54.13 52.91 1bxh s LEU 198 Cb 0.05 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 46.10 1bxh s LEU 198 CO 0.03 -0.35 0.18 -0.63 -1.32 0.00 0.00 176.35 174.26 1bxh s ILE 199 N 1.83 4.90 -0.14 6.68 1.01 -1.26 -2.84 121.20 131.38 1bxh s ILE 199 Ca 0.03 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1bxh s ILE 199 Cb -0.17 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1bxh s ILE 199 CO -0.17 0.07 -0.18 -0.75 0.00 0.00 0.00 174.94 173.91 1bxh s LYS 200 N 1.67 2.65 -0.26 2.79 2.20 -1.24 -1.12 119.74 126.44 1bxh s LYS 200 Ca 0.05 -0.71 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1bxh s LYS 200 Cb -0.17 -2.24 0.07 0.00 -1.51 0.00 0.00 37.83 33.98 1bxh s LYS 200 CO 0.08 -0.10 -0.06 0.45 -0.36 0.00 0.00 175.35 175.37 1bxh s SER 201 N 1.06 4.18 0.02 1.43 0.15 -1.26 -0.77 113.70 118.51 1bxh s SER 201 Ca -0.03 -1.39 -0.20 0.00 0.70 0.00 0.00 55.95 55.04 1bxh s SER 201 Cb -0.14 -1.35 -0.19 0.00 -1.71 0.00 0.00 66.02 62.63 1bxh s SER 201 CO -0.05 -0.24 1.20 1.55 1.20 0.00 0.00 173.24 176.89 1bxh h PRO 202 N 7.86 0.42 0.00 5.44 0.13 -1.95 -3.47 132.00 140.42 1bxh h PRO 202 Ca -0.17 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1bxh h PRO 202 Cb 1.05 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1bxh h PRO 202 CO 0.44 0.98 0.00 -0.40 -0.23 0.00 0.00 178.00 178.79 1bxh n ASP 203 N -4.34 0.00 0.00 1.44 5.75 -1.26 -5.03 116.55 113.11 1bxh n ASP 203 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 1bxh n ASP 203 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1bxh n ASP 203 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1bxh n SER 204 N 0.00 0.00 -4.92 -1.12 7.64 -1.26 -4.83 113.62 109.12 1bxh n SER 204 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1bxh n SER 204 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1bxh n SER 204 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1bxh s HIS 205 N 0.00 3.49 0.40 1.43 5.65 -1.26 -5.09 115.29 119.90 1bxh s HIS 205 Ca 0.00 0.33 -0.18 0.00 0.25 0.00 0.00 55.06 55.46 1bxh s HIS 205 Cb 0.00 -1.84 -0.10 0.00 -1.18 0.00 0.00 32.58 29.46 1bxh s HIS 205 CO 0.00 0.43 0.87 -2.14 -0.65 0.00 0.00 174.74 173.25 1bxh s PRO 206 N -3.12 4.11 -0.13 2.88 0.02 -1.26 -4.27 135.00 133.23 1bxh s PRO 206 Ca 0.38 0.93 -0.30 0.00 0.02 0.00 0.00 61.00 62.02 1bxh s PRO 206 Cb -0.11 -2.27 0.12 0.00 0.02 0.00 0.00 34.50 32.26 1bxh s PRO 206 CO 0.28 0.02 1.00 0.00 -0.33 0.00 0.00 177.00 177.97 1bxh s ALA 207 N -2.15 -1.93 -0.03 -1.55 0.00 -1.19 -4.05 121.76 110.86 1bxh s ALA 207 Ca 0.59 1.46 0.13 0.00 0.00 0.00 0.00 51.96 54.14 1bxh s ALA 207 Cb -0.10 -0.42 -0.19 0.00 0.00 0.00 0.00 23.12 22.41 1bxh s ALA 207 CO 0.17 -0.42 0.28 -0.25 0.00 0.00 0.00 175.76 175.53 1bxh n ASP 208 N 0.41 2.09 0.00 0.00 8.00 0.12 -2.63 116.55 124.53 1bxh n ASP 208 Ca -0.08 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1bxh n ASP 208 Cb 0.59 1.56 0.00 0.00 -0.02 0.00 0.00 41.12 43.25 1bxh n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bxh n GLY 209 N 1.77 2.07 3.29 0.44 0.00 -1.22 -2.51 105.19 109.03 1bxh n GLY 209 Ca -0.02 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 1bxh n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bxh s ILE 210 N -1.48 1.68 -0.06 -0.61 1.01 -0.75 -2.69 121.20 118.31 1bxh s ILE 210 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 60.65 58.90 1bxh s ILE 210 Cb 0.00 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.88 1bxh s ILE 210 CO 0.00 -0.17 0.24 0.00 0.00 0.00 0.00 174.94 175.01 1bxh s ALA 211 N -1.50 -0.60 -0.13 9.38 0.00 0.23 -0.05 121.76 129.09 1bxh s ALA 211 Ca 0.09 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 1bxh s ALA 211 Cb -0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 1bxh s ALA 211 CO 0.05 -0.16 0.28 0.12 0.00 0.00 0.00 175.76 176.05 1bxh s PHE 212 N -0.39 3.53 0.06 0.00 5.36 -0.65 -0.26 117.98 125.64 1bxh s PHE 212 Ca -0.05 0.65 -0.04 0.00 -0.96 0.00 0.00 56.93 56.52 1bxh s PHE 212 Cb -0.03 -2.26 -0.02 0.00 -0.34 0.00 0.00 43.02 40.36 1bxh s PHE 212 CO 0.01 0.39 0.06 -0.59 -1.46 0.00 0.00 175.22 173.63 1bxh s PHE 213 N -0.04 0.36 -0.04 10.12 -0.71 0.11 -1.40 117.98 126.37 1bxh s PHE 213 Ca 0.17 -0.84 0.05 0.00 -1.04 0.00 0.00 56.93 55.28 1bxh s PHE 213 Cb -0.13 -0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 41.42 1bxh s PHE 213 CO 0.05 -0.44 -0.20 0.42 -1.34 0.00 0.00 175.22 173.72 1bxh s ILE 214 N -3.75 1.64 0.34 -4.49 1.01 -0.29 -1.03 121.20 114.63 1bxh s ILE 214 Ca 0.05 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1bxh s ILE 214 Cb 0.06 -1.40 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1bxh s ILE 214 CO -0.10 0.47 0.54 -0.94 0.00 0.00 0.00 174.94 174.91 1bxh s SER 215 N -0.11 0.54 0.57 3.58 1.04 -0.58 -2.23 113.70 116.51 1bxh s SER 215 Ca -0.02 -1.31 -0.20 0.00 0.48 0.00 0.00 55.95 54.90 1bxh s SER 215 Cb -0.12 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1bxh s SER 215 CO 0.02 -1.36 1.22 0.54 0.98 0.00 0.00 173.24 174.64 1bxh s ASN 216 N -3.16 5.35 0.27 7.02 4.22 -1.21 -1.30 114.94 126.13 1bxh s ASN 216 Ca 0.26 2.41 -0.00 0.00 -2.14 0.00 0.00 52.86 53.39 1bxh s ASN 216 Cb -0.01 -2.60 0.62 0.00 1.28 0.00 0.00 41.25 40.54 1bxh s ASN 216 CO 0.16 -1.48 1.68 0.40 -2.04 0.00 0.00 177.10 175.82 1bxh h ILE 217 N 1.10 0.44 -0.51 0.54 2.04 -1.86 -2.29 117.51 116.97 1bxh h ILE 217 Ca -0.50 -0.10 -0.23 0.00 1.00 0.00 0.00 64.86 65.03 1bxh h ILE 217 Cb 1.29 0.12 -0.14 0.00 -0.74 0.00 0.00 36.82 37.35 1bxh h ILE 217 CO 0.56 0.05 0.29 -0.90 0.00 0.00 0.00 178.15 178.16 1bxh n ASP 218 N -5.14 3.47 -4.77 1.72 5.75 -1.26 -4.81 116.55 111.51 1bxh n ASP 218 Ca 0.19 -2.82 -0.38 0.00 -0.01 0.00 0.00 54.79 51.76 1bxh n ASP 218 Cb 0.59 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 40.00 1bxh n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1bxh s SER 219 N -0.31 6.31 0.15 -1.12 0.15 -0.86 -5.05 113.70 112.96 1bxh s SER 219 Ca 0.32 2.45 -0.04 0.00 0.70 0.00 0.00 55.95 59.37 1bxh s SER 219 Cb 0.26 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1bxh s SER 219 CO 0.07 -0.83 0.16 -0.94 1.20 0.00 0.00 173.24 172.90 1bxh s SER 220 N -1.06 0.19 0.10 5.45 1.04 -1.26 -5.08 113.70 113.08 1bxh s SER 220 Ca 0.59 -1.07 -0.31 0.00 0.48 0.00 0.00 55.95 55.64 1bxh s SER 220 Cb -0.33 0.36 -0.09 0.00 0.10 0.00 0.00 66.02 66.06 1bxh s SER 220 CO 0.41 -0.81 1.70 -0.63 0.98 0.00 0.00 173.24 174.89 1bxh s ILE 221 N -4.02 2.78 0.30 -1.02 1.01 -1.26 -4.97 121.20 114.03 1bxh s ILE 221 Ca 0.22 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.90 1bxh s ILE 221 Cb 0.06 -3.21 -0.10 0.00 0.01 0.00 0.00 42.46 39.22 1bxh s ILE 221 CO 0.01 0.00 1.23 -2.84 0.00 0.00 0.00 174.94 173.35 1bxh s PRO 222 N 2.40 4.46 0.34 2.79 0.02 -1.26 -4.95 135.00 138.79 1bxh s PRO 222 Ca 0.76 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 63.55 1bxh s PRO 222 Cb -0.43 -3.12 -0.11 0.00 0.02 0.00 0.00 34.50 30.86 1bxh s PRO 222 CO 0.33 -0.05 1.54 -1.12 -0.33 0.00 0.00 177.00 177.37 1bxh s SER 223 N -0.56 6.36 -0.57 2.53 0.01 -1.26 -2.12 113.70 118.10 1bxh s SER 223 Ca 0.48 3.00 0.00 0.00 1.31 0.00 0.00 55.95 60.74 1bxh s SER 223 Cb -0.37 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.21 1bxh s SER 223 CO 0.48 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1bxh n GLY 224 N 1.29 0.73 1.23 3.44 0.00 -1.26 -4.90 105.19 105.72 1bxh n GLY 224 Ca 0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 1bxh n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bxh n SER 225 N -0.10 3.12 -3.97 1.61 3.41 -0.90 -4.86 113.62 111.93 1bxh n SER 225 Ca -0.05 -2.32 -0.30 0.00 -0.26 0.00 0.00 58.87 55.94 1bxh n SER 225 Cb 0.30 -0.57 0.21 0.00 -0.26 0.00 0.00 64.21 63.89 1bxh n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1bxh s THR 226 N -0.68 2.00 0.00 6.66 -4.23 -1.26 -0.29 115.64 117.84 1bxh s THR 226 Ca 0.11 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1bxh s THR 226 Cb 0.10 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1bxh s THR 226 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1bxh n GLY 227 N -3.84 2.88 0.39 3.99 0.00 -0.61 -3.18 105.19 104.81 1bxh n GLY 227 Ca 0.17 -0.34 0.20 0.00 0.00 0.00 0.00 46.02 46.05 1bxh n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1bxh h ARG 228 N 0.00 0.00 -0.00 1.61 0.11 -1.90 -2.19 114.38 112.01 1bxh h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bxh h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1bxh h ARG 228 CO 0.00 0.00 -0.03 1.28 0.10 0.00 0.00 179.97 181.32 1bxh n LEU 229 N -3.51 0.10 -2.03 0.08 4.77 -1.19 -4.93 117.00 110.28 1bxh n LEU 229 Ca 0.07 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 1bxh n LEU 229 Cb 0.67 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1bxh n LEU 229 CO 0.24 0.02 -0.15 0.18 -1.33 0.00 0.00 177.39 176.35 1bxh n LEU 230 N -1.26 -1.12 -1.19 2.23 4.77 -0.82 -1.51 117.00 118.10 1bxh n LEU 230 Ca 0.13 0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 56.19 1bxh n LEU 230 Cb 0.26 -2.13 -0.07 0.00 -2.33 0.00 0.00 43.42 39.15 1bxh n LEU 230 CO 0.24 -0.35 -0.15 0.61 -1.33 0.00 0.00 177.39 176.41 1bxh n GLY 231 N -0.60 1.55 0.02 -0.72 0.00 0.60 -4.19 105.19 101.85 1bxh n GLY 231 Ca -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 1bxh n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bxh n LEU 232 N -1.77 2.42 -4.45 0.99 4.77 -0.57 -4.54 117.00 113.86 1bxh n LEU 232 Ca -0.16 -0.02 -0.31 0.00 -0.03 0.00 0.00 56.01 55.50 1bxh n LEU 232 Cb 0.55 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 1bxh n LEU 232 CO 0.24 0.49 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.93 1bxh s PHE 233 N -2.10 2.55 0.30 -1.77 0.08 -1.16 -4.81 117.98 111.07 1bxh s PHE 233 Ca -0.06 -0.26 0.12 0.00 0.12 0.00 0.00 56.93 56.85 1bxh s PHE 233 Cb 0.02 -1.45 0.52 0.00 -0.57 0.00 0.00 43.02 41.53 1bxh s PHE 233 CO 0.12 0.25 1.70 -1.00 -0.10 0.00 0.00 175.22 176.20 1bxh h PRO 234 N 4.50 0.00 0.00 0.24 0.13 -1.92 -3.43 132.00 131.53 1bxh h PRO 234 Ca -0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 1bxh h PRO 234 Cb 1.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1bxh h PRO 234 CO 0.47 0.51 -0.11 -0.40 -0.23 0.00 0.00 178.00 178.24 1bxh n ASP 235 N -3.88 -1.43 -2.02 1.44 5.68 -1.26 -4.88 116.55 110.19 1bxh n ASP 235 Ca -0.01 -2.88 -0.11 0.00 -0.50 0.00 0.00 54.79 51.29 1bxh n ASP 235 Cb 0.53 2.64 0.25 0.00 -1.14 0.00 0.00 41.12 43.40 1bxh n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bxh n ALA 236 N -0.69 4.80 1.89 2.12 0.00 -1.26 -4.71 120.51 122.65 1bxh n ALA 236 Ca -0.14 -2.36 0.15 0.00 0.00 0.00 0.00 53.44 51.10 1bxh n ALA 236 Cb 0.59 -1.31 0.90 0.00 0.00 0.00 0.00 19.45 19.63 1bxh n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59