#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lb2 h THR 10 N 0.00 1.50 -0.87 0.52 2.02 -2.04 -3.32 112.91 110.72 1lb2 h THR 10 Ca 0.00 -2.35 0.23 0.00 0.77 0.00 0.00 66.41 65.06 1lb2 h THR 10 Cb 0.00 2.99 -0.14 0.00 -1.74 0.00 0.00 68.15 69.26 1lb2 h THR 10 CO 0.00 0.67 0.23 0.25 0.37 0.00 0.00 175.52 177.04 1lb2 h LEU 11 N -0.31 -0.00 -0.27 2.58 6.46 -2.02 0.41 115.31 122.15 1lb2 h LEU 11 Ca -0.11 0.19 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1lb2 h LEU 11 Cb 1.48 0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 41.62 1lb2 h LEU 11 CO 0.13 -0.15 -0.08 -0.33 -0.62 0.00 0.00 178.44 177.39 1lb2 h GLU 12 N 0.21 -0.02 0.31 1.25 4.39 -2.00 0.98 114.58 119.70 1lb2 h GLU 12 Ca 0.54 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.24 1lb2 h GLU 12 Cb 1.08 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 1lb2 h GLU 12 CO -0.65 -0.01 -0.50 2.35 -1.16 0.00 0.00 179.01 179.04 1lb2 h TRP 13 N -0.02 -1.40 -0.60 4.33 7.01 -0.41 -1.49 115.95 123.37 1lb2 h TRP 13 Ca 0.13 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.23 1lb2 h TRP 13 Cb 0.23 0.57 -0.10 0.00 -2.10 0.00 0.00 29.16 27.76 1lb2 h TRP 13 CO -0.28 -0.61 -0.54 0.35 -2.79 0.00 0.00 178.44 174.57 1lb2 h PHE 14 N -0.85 -1.66 -0.82 2.65 3.57 -0.47 -1.49 116.94 117.87 1lb2 h PHE 14 Ca -0.04 0.09 0.11 0.00 3.53 0.00 0.00 57.97 61.67 1lb2 h PHE 14 Cb 0.79 0.80 -0.08 0.00 2.79 0.00 0.00 35.95 40.25 1lb2 h PHE 14 CO -0.34 -0.45 0.45 -0.07 -2.23 0.00 0.00 178.31 175.68 1lb2 h LEU 15 N -0.26 0.62 -0.45 0.59 3.38 -0.66 -0.47 115.31 118.06 1lb2 h LEU 15 Ca 0.12 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1lb2 h LEU 15 Cb 0.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1lb2 h LEU 15 CO -0.71 0.33 0.20 -1.54 0.09 0.00 0.00 178.44 176.81 1lb2 n SER 16 N -4.78 0.18 -0.23 -0.43 3.41 -0.56 0.99 113.62 112.18 1lb2 n SER 16 Ca 0.14 0.46 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 1lb2 n SER 16 Cb 0.32 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1lb2 n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1lb2 n HIS 17 N -1.68 0.00 -3.36 7.33 8.25 -0.19 -4.99 115.22 120.57 1lb2 n HIS 17 Ca -0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 1lb2 n HIS 17 Cb 0.21 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 1lb2 n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lb2 s HIS 19 N -2.15 3.47 -0.04 0.00 5.65 -0.28 -4.82 115.29 117.12 1lb2 s HIS 19 Ca 0.42 0.70 0.04 0.00 0.25 0.00 0.00 55.06 56.47 1lb2 s HIS 19 Cb -0.10 -2.15 -0.00 0.00 -1.18 0.00 0.00 32.58 29.15 1lb2 s HIS 19 CO 0.32 0.18 -0.17 0.42 -0.65 0.00 0.00 174.74 174.85 1lb2 s ILE 20 N -2.04 1.38 0.02 0.89 1.01 -1.26 0.11 121.20 121.31 1lb2 s ILE 20 Ca 0.45 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1lb2 s ILE 20 Cb -0.11 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1lb2 s ILE 20 CO 0.28 0.40 -0.04 -2.28 0.00 0.00 0.00 174.94 173.30 1lb2 s HIS 21 N 0.03 0.37 -0.18 3.97 2.46 -0.51 -5.00 115.29 116.44 1lb2 s HIS 21 Ca -0.03 -0.32 -0.09 0.00 0.47 0.00 0.00 55.06 55.09 1lb2 s HIS 21 Cb -0.11 -0.24 -0.05 0.00 -0.13 0.00 0.00 32.58 32.05 1lb2 s HIS 21 CO 0.02 -0.08 0.13 0.15 -2.47 0.00 0.00 174.74 172.49 1lb2 s LYS 22 N -0.91 4.00 -0.20 2.88 1.02 -1.26 -0.84 119.74 124.43 1lb2 s LYS 22 Ca -0.07 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 1lb2 s LYS 22 Cb -0.06 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1lb2 s LYS 22 CO -0.00 0.41 -0.10 0.71 -0.92 0.00 0.00 175.35 175.45 1lb2 s TYR 23 N 0.03 2.88 0.39 3.18 1.51 -0.00 -4.98 117.35 120.36 1lb2 s TYR 23 Ca 0.09 -1.15 -0.26 0.00 -1.01 0.00 0.00 57.07 54.74 1lb2 s TYR 23 Cb -0.11 -2.02 -0.09 0.00 -0.11 0.00 0.00 41.96 39.63 1lb2 s TYR 23 CO -0.01 -0.61 1.22 -1.25 -1.11 0.00 0.00 175.55 173.80 1lb2 s PRO 24 N 1.32 4.09 0.17 -1.71 0.04 -1.26 -0.51 135.00 137.14 1lb2 s PRO 24 Ca 0.04 1.97 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 1lb2 s PRO 24 Cb -0.14 -2.77 -0.17 0.00 0.04 0.00 0.00 34.50 31.47 1lb2 s PRO 24 CO -0.06 -0.33 0.83 0.45 0.04 0.00 0.00 177.00 177.93 1lb2 n SER 25 N 0.22 -0.07 0.00 6.66 2.88 -1.25 -1.25 113.62 120.80 1lb2 n SER 25 Ca 0.03 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1lb2 n SER 25 Cb 0.45 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1lb2 n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1lb2 n LYS 26 N 1.20 0.00 -1.67 -1.46 5.02 0.06 -4.91 118.16 116.39 1lb2 n LYS 26 Ca 0.16 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.15 1lb2 n LYS 26 Cb 0.23 -1.70 0.06 0.00 -0.02 0.00 0.00 35.03 33.60 1lb2 n LYS 26 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1lb2 s SER 27 N -3.39 5.12 -0.26 4.39 1.04 -0.38 -4.63 113.70 115.59 1lb2 s SER 27 Ca 0.00 1.35 -0.09 0.00 0.48 0.00 0.00 55.95 57.69 1lb2 s SER 27 Cb 0.00 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 1lb2 s SER 27 CO 0.00 -1.57 0.13 -0.89 0.98 0.00 0.00 173.24 171.88 1lb2 s THR 28 N -3.18 4.83 -0.16 2.02 2.01 -1.26 -0.65 115.64 119.24 1lb2 s THR 28 Ca 0.59 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.38 1lb2 s THR 28 Cb -0.13 -3.28 -0.19 0.00 0.01 0.00 0.00 72.50 68.91 1lb2 s THR 28 CO 0.54 0.31 0.40 -0.07 -0.69 0.00 0.00 174.62 175.11 1lb2 h LEU 29 N 8.15 0.00 -8.71 4.42 4.07 -1.15 -3.46 115.31 118.63 1lb2 h LEU 29 Ca -0.37 -0.63 -0.68 0.00 0.08 0.00 0.00 57.88 56.29 1lb2 h LEU 29 Cb 1.18 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.66 1lb2 h LEU 29 CO 0.58 1.14 -0.78 -0.63 -1.08 0.00 0.00 178.44 177.66 1lb2 s ILE 30 N -2.22 2.91 -0.39 1.22 -1.09 -1.13 -4.97 121.20 115.52 1lb2 s ILE 30 Ca -0.21 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 57.44 1lb2 s ILE 30 Cb 0.01 -2.17 0.10 0.00 -1.58 0.00 0.00 42.46 38.83 1lb2 s ILE 30 CO 0.55 0.56 0.18 -2.28 -1.23 0.00 0.00 174.94 172.71 1lb2 s HIS 31 N -0.15 3.57 -0.02 3.97 5.65 -1.26 -1.07 115.29 125.98 1lb2 s HIS 31 Ca -0.01 -2.39 -0.40 0.00 0.25 0.00 0.00 55.06 52.51 1lb2 s HIS 31 Cb -0.14 -3.10 -0.20 0.00 -1.18 0.00 0.00 32.58 27.97 1lb2 s HIS 31 CO 0.03 -0.95 1.14 0.94 -0.65 0.00 0.00 174.74 175.25 1lb2 n GLN 32 N 4.58 0.16 0.00 2.88 7.27 -1.23 -1.73 117.38 129.31 1lb2 n GLN 32 Ca -0.03 0.06 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1lb2 n GLN 32 Cb 0.42 -1.58 0.00 0.00 2.41 0.00 0.00 30.24 31.49 1lb2 n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1lb2 n GLY 33 N 1.79 2.24 3.74 1.69 0.00 -0.92 -4.91 105.19 108.81 1lb2 n GLY 33 Ca 0.20 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1lb2 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lb2 s GLU 34 N 0.00 1.87 0.05 1.61 2.02 -0.70 -4.47 118.70 119.07 1lb2 s GLU 34 Ca 0.00 1.27 -0.30 0.00 0.02 0.00 0.00 54.97 55.96 1lb2 s GLU 34 Cb 0.00 -1.84 -0.08 0.00 0.10 0.00 0.00 34.13 32.31 1lb2 s GLU 34 CO 0.00 -1.95 1.68 0.15 0.02 0.00 0.00 175.26 175.16 1lb2 s LYS 35 N -4.83 4.19 -0.43 1.61 1.02 -1.26 -1.30 119.74 118.74 1lb2 s LYS 35 Ca 0.63 2.33 -0.24 0.00 0.02 0.00 0.00 55.97 58.71 1lb2 s LYS 35 Cb -0.19 -3.71 0.02 0.00 -0.52 0.00 0.00 37.83 33.43 1lb2 s LYS 35 CO 0.57 -0.77 0.83 0.00 -0.92 0.00 0.00 175.35 175.05 1lb2 s ALA 36 N 3.03 3.31 0.00 5.17 0.00 -0.81 -4.80 121.76 127.67 1lb2 s ALA 36 Ca 0.75 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1lb2 s ALA 36 Cb -0.39 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1lb2 s ALA 36 CO 0.33 -1.84 0.03 0.39 0.00 0.00 0.00 175.76 174.67 1lb2 n GLU 37 N 6.77 2.99 -4.33 0.00 1.02 -1.26 -4.58 120.64 121.25 1lb2 n GLU 37 Ca 0.04 -0.03 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1lb2 n GLU 37 Cb 0.48 -0.31 -0.12 0.00 -0.02 0.00 0.00 31.44 31.48 1lb2 n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1lb2 s THR 38 N -0.44 1.87 -0.03 2.62 2.01 -1.26 -0.25 115.64 120.16 1lb2 s THR 38 Ca 0.00 -1.81 0.03 0.00 0.31 0.00 0.00 61.69 60.21 1lb2 s THR 38 Cb 0.00 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1lb2 s THR 38 CO 0.00 -0.20 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.42 1lb2 s LEU 39 N -2.42 3.06 0.21 4.42 2.96 0.11 -4.81 118.68 122.21 1lb2 s LEU 39 Ca 0.13 -0.12 0.11 0.00 -0.22 0.00 0.00 54.13 54.04 1lb2 s LEU 39 Cb -0.07 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 1lb2 s LEU 39 CO 0.06 0.32 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.89 1lb2 s TYR 40 N -0.87 2.19 -0.04 5.38 4.12 -0.28 -1.07 117.35 126.79 1lb2 s TYR 40 Ca 0.14 -0.38 -0.01 0.00 0.02 0.00 0.00 57.07 56.84 1lb2 s TYR 40 Cb -0.11 -1.05 0.03 0.00 -1.52 0.00 0.00 41.96 39.32 1lb2 s TYR 40 CO 0.04 0.52 0.07 -0.47 0.02 0.00 0.00 175.55 175.73 1lb2 s TYR 41 N -2.00 -0.04 -0.50 2.71 6.14 0.29 0.04 117.35 123.99 1lb2 s TYR 41 Ca 0.22 0.26 -0.27 0.00 0.64 0.00 0.00 57.07 57.92 1lb2 s TYR 41 Cb -0.07 -0.19 0.03 0.00 0.42 0.00 0.00 41.96 42.15 1lb2 s TYR 41 CO 0.10 -0.12 1.07 0.42 0.64 0.00 0.00 175.55 177.66 1lb2 s ILE 42 N 1.15 4.26 -0.10 3.14 1.01 -0.13 0.02 121.20 130.54 1lb2 s ILE 42 Ca -0.09 0.92 -0.26 0.00 0.00 0.00 0.00 60.65 61.23 1lb2 s ILE 42 Cb -0.12 -4.58 -0.22 0.00 0.01 0.00 0.00 42.46 37.55 1lb2 s ILE 42 CO -0.04 -1.05 0.84 0.58 0.00 0.00 0.00 174.94 175.27 1lb2 h VAL 43 N 6.16 1.50 -3.88 2.92 2.07 -1.17 -1.13 116.25 122.72 1lb2 h VAL 43 Ca -0.24 -1.88 -0.23 0.00 0.82 0.00 0.00 66.70 65.17 1lb2 h VAL 43 Cb 1.06 2.72 -0.25 0.00 -1.52 0.00 0.00 31.29 33.31 1lb2 h VAL 43 CO 1.11 0.46 -0.72 -0.54 0.02 0.00 0.00 177.57 177.90 1lb2 s LYS 44 N -2.74 0.24 0.00 1.57 1.02 -1.02 -4.63 119.74 114.17 1lb2 s LYS 44 Ca -0.16 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1lb2 s LYS 44 Cb -0.01 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 1lb2 s LYS 44 CO 0.62 0.00 0.00 0.41 -0.92 0.00 0.00 175.35 175.47 1lb2 n GLY 45 N 2.32 -1.56 3.17 -3.33 0.00 -1.26 -0.57 105.19 103.95 1lb2 n GLY 45 Ca -0.18 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.52 1lb2 n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lb2 s SER 46 N -0.84 0.89 0.20 1.61 1.04 -1.26 -2.45 113.70 112.88 1lb2 s SER 46 Ca 0.00 -1.07 -0.13 0.00 0.48 0.00 0.00 55.95 55.22 1lb2 s SER 46 Cb 0.00 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1lb2 s SER 46 CO 0.00 -0.56 0.43 0.54 0.98 0.00 0.00 173.24 174.63 1lb2 s VAL 47 N -3.76 0.03 -0.11 5.02 0.11 0.19 -1.38 120.40 120.51 1lb2 s VAL 47 Ca 0.15 -1.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.06 1lb2 s VAL 47 Cb 0.06 -1.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.12 1lb2 s VAL 47 CO -0.03 -0.16 -0.11 0.00 -3.33 0.00 0.00 175.10 171.47 1lb2 s ALA 48 N -3.94 1.48 -0.08 1.54 0.00 0.22 -1.54 121.76 119.43 1lb2 s ALA 48 Ca 0.15 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.27 1lb2 s ALA 48 Cb 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1lb2 s ALA 48 CO 0.01 -0.23 0.68 0.08 0.00 0.00 0.00 175.76 176.30 1lb2 s VAL 49 N 1.30 5.06 0.12 0.00 1.01 0.19 -1.59 120.40 126.48 1lb2 s VAL 49 Ca -0.02 1.38 -0.19 0.00 0.00 0.00 0.00 61.98 63.16 1lb2 s VAL 49 Cb -0.14 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.28 1lb2 s VAL 49 CO -0.05 0.24 0.47 -1.48 0.00 0.00 0.00 175.10 174.28 1lb2 s LEU 50 N 0.90 0.10 0.08 3.92 0.05 -0.02 -0.44 118.68 123.27 1lb2 s LEU 50 Ca 0.36 -0.14 0.04 0.00 0.05 0.00 0.00 54.13 54.43 1lb2 s LEU 50 Cb -0.17 2.05 -0.03 0.00 -2.05 0.00 0.00 46.19 45.99 1lb2 s LEU 50 CO 0.17 -0.85 -0.12 0.27 -0.55 0.00 0.00 176.35 175.27 1lb2 s ILE 51 N -3.49 0.97 0.47 1.48 -4.36 -0.91 -0.61 121.20 114.76 1lb2 s ILE 51 Ca 0.01 -1.42 0.05 0.00 -0.26 0.00 0.00 60.65 59.03 1lb2 s ILE 51 Cb 0.01 -1.13 -0.03 0.00 1.25 0.00 0.00 42.46 42.56 1lb2 s ILE 51 CO -0.10 -0.39 0.14 -0.54 0.24 0.00 0.00 174.94 174.30 1lb2 s LYS 52 N -2.16 2.18 0.47 0.37 1.02 -1.26 -0.66 119.74 119.70 1lb2 s LYS 52 Ca 0.00 -2.10 0.03 0.00 0.02 0.00 0.00 55.97 53.92 1lb2 s LYS 52 Cb -0.07 -1.81 0.03 0.00 -0.52 0.00 0.00 37.83 35.46 1lb2 s LYS 52 CO 0.01 -0.29 0.25 -0.40 -0.92 0.00 0.00 175.35 174.01 1lb2 n ASP 53 N -1.31 2.73 -0.09 2.83 5.75 -0.83 -4.93 116.55 120.70 1lb2 n ASP 53 Ca -0.08 -2.73 -0.13 0.00 -0.01 0.00 0.00 54.79 51.84 1lb2 n ASP 53 Cb 0.66 0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.72 1lb2 n ASP 53 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1lb2 h GLU 54 N 0.00 -0.42 -0.87 0.11 9.09 -2.02 -0.54 114.58 119.95 1lb2 h GLU 54 Ca -0.32 0.03 0.11 0.00 0.05 0.00 0.00 59.36 59.23 1lb2 h GLU 54 Cb 1.11 0.09 -0.08 0.00 -1.65 0.00 0.00 28.75 28.22 1lb2 h GLU 54 CO 0.51 -0.28 0.50 0.93 0.05 0.00 0.00 179.01 180.72 1lb2 h GLU 55 N -0.43 0.77 0.00 1.06 3.07 -2.06 -3.45 114.58 113.53 1lb2 h GLU 55 Ca 0.05 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1lb2 h GLU 55 Cb 0.58 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1lb2 h GLU 55 CO -0.51 0.51 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1lb2 n GLY 56 N -1.33 0.39 3.66 -3.84 0.00 -0.21 -5.09 105.19 98.77 1lb2 n GLY 56 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1lb2 n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lb2 s LYS 57 N 0.00 4.12 0.58 1.61 2.20 -1.26 -4.55 119.74 122.44 1lb2 s LYS 57 Ca 0.00 2.42 -0.12 0.00 -0.36 0.00 0.00 55.97 57.91 1lb2 s LYS 57 Cb 0.00 -4.10 -0.05 0.00 -1.51 0.00 0.00 37.83 32.17 1lb2 s LYS 57 CO 0.00 -0.95 1.00 -1.21 -0.36 0.00 0.00 175.35 173.83 1lb2 s GLU 58 N 4.36 3.68 -0.14 4.03 2.02 -1.26 -1.96 118.70 129.42 1lb2 s GLU 58 Ca 0.83 0.76 -0.04 0.00 0.02 0.00 0.00 54.97 56.54 1lb2 s GLU 58 Cb -0.39 -2.12 0.06 0.00 0.10 0.00 0.00 34.13 31.79 1lb2 s GLU 58 CO 0.37 -0.47 0.14 1.41 0.02 0.00 0.00 175.26 176.73 1lb2 s MET 59 N -4.88 0.08 -0.21 1.61 -2.45 0.17 -4.75 119.30 108.86 1lb2 s MET 59 Ca 0.55 0.22 -0.29 0.00 -1.25 0.00 0.00 55.69 54.92 1lb2 s MET 59 Cb -0.11 -1.11 -0.02 0.00 1.25 0.00 0.00 34.83 34.85 1lb2 s MET 59 CO 0.48 -0.54 1.45 0.42 1.05 0.00 0.00 175.02 177.88 1lb2 s ILE 60 N 2.24 3.94 0.01 10.11 1.01 0.32 -2.14 121.20 136.68 1lb2 s ILE 60 Ca 0.04 1.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.69 1lb2 s ILE 60 Cb -0.14 -3.87 -0.31 0.00 0.01 0.00 0.00 42.46 38.14 1lb2 s ILE 60 CO -0.08 -0.29 0.89 -0.07 0.00 0.00 0.00 174.94 175.38 1lb2 h LEU 61 N 10.86 0.59 -7.00 2.97 -0.00 -1.07 -3.43 115.31 118.24 1lb2 h LEU 61 Ca -0.30 -0.74 0.26 0.00 -0.00 0.00 0.00 57.88 57.10 1lb2 h LEU 61 Cb 1.13 -0.19 -0.21 0.00 -0.00 0.00 0.00 40.66 41.39 1lb2 h LEU 61 CO 1.00 1.60 0.86 -0.55 -0.00 0.00 0.00 178.44 181.35 1lb2 s SER 62 N -7.26 -0.10 -0.15 -0.43 0.15 -0.82 -4.98 113.70 100.10 1lb2 s SER 62 Ca -0.10 0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 1lb2 s SER 62 Cb 0.06 0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 1lb2 s SER 62 CO 0.89 -0.16 -0.09 -0.31 1.20 0.00 0.00 173.24 174.76 1lb2 s TYR 63 N -2.09 2.90 -0.07 3.44 2.02 -1.26 0.53 117.35 122.81 1lb2 s TYR 63 Ca 0.09 -0.56 0.05 0.00 -0.37 0.00 0.00 57.07 56.28 1lb2 s TYR 63 Cb -0.01 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1lb2 s TYR 63 CO -0.04 -0.19 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.03 1lb2 s LEU 64 N 0.46 2.28 0.00 -1.29 1.43 -0.59 -4.98 118.68 115.99 1lb2 s LEU 64 Ca -0.07 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1lb2 s LEU 64 Cb -0.15 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1lb2 s LEU 64 CO 0.04 0.24 0.00 0.59 0.23 0.00 0.00 176.35 177.45 1lb2 n ASN 65 N 2.99 0.69 -4.76 2.29 3.02 -1.26 -0.64 115.26 117.58 1lb2 n ASN 65 Ca -0.18 -0.86 -0.37 0.00 -0.03 0.00 0.00 54.58 53.15 1lb2 n ASN 65 Cb 0.52 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 1lb2 n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lb2 s GLN 66 N -1.39 3.48 0.00 3.52 -2.07 -1.03 -2.59 119.66 119.59 1lb2 s GLN 66 Ca 0.00 1.85 0.00 0.00 -1.82 0.00 0.00 55.36 55.39 1lb2 s GLN 66 Cb 0.00 -2.26 0.00 0.00 -1.09 0.00 0.00 33.01 29.66 1lb2 s GLN 66 CO 0.00 -0.80 0.00 0.41 -1.32 0.00 0.00 175.29 173.58 1lb2 n GLY 67 N 0.47 3.32 3.84 2.60 0.00 -0.43 -5.02 105.19 109.97 1lb2 n GLY 67 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1lb2 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lb2 s ASP 68 N -0.84 6.68 0.28 1.61 1.01 -1.07 -4.83 116.67 119.50 1lb2 s ASP 68 Ca 0.00 1.48 0.01 0.00 0.71 0.00 0.00 52.55 54.75 1lb2 s ASP 68 Cb 0.00 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1lb2 s ASP 68 CO 0.00 -0.47 0.46 -0.36 0.21 0.00 0.00 175.17 175.01 1lb2 s PHE 69 N -2.42 3.48 -0.01 4.23 0.40 -1.26 -0.96 117.98 121.44 1lb2 s PHE 69 Ca 0.58 0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 57.14 1lb2 s PHE 69 Cb -0.10 -1.81 -0.00 0.00 0.51 0.00 0.00 43.02 41.62 1lb2 s PHE 69 CO 0.26 0.27 0.07 0.42 0.70 0.00 0.00 175.22 176.94 1lb2 s ILE 70 N -2.10 0.05 -0.86 0.64 1.01 0.11 -4.85 121.20 115.19 1lb2 s ILE 70 Ca 0.38 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1lb2 s ILE 70 Cb -0.10 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1lb2 s ILE 70 CO 0.32 -0.22 0.75 0.61 0.00 0.00 0.00 174.94 176.40 1lb2 n GLY 71 N 2.29 -0.04 0.08 6.18 0.00 -1.26 -1.12 105.19 111.31 1lb2 n GLY 71 Ca -0.18 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 1lb2 n GLY 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1lb2 h GLU 72 N -1.64 0.00 -0.83 1.61 9.09 -1.89 -3.38 114.58 117.54 1lb2 h GLU 72 Ca -0.38 0.00 0.21 0.00 0.05 0.00 0.00 59.36 59.24 1lb2 h GLU 72 Cb 1.24 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.29 1lb2 h GLU 72 CO 0.36 0.62 0.57 -0.07 0.05 0.00 0.00 179.01 180.53 1lb2 h LEU 73 N 0.00 0.24 -1.15 3.06 3.38 -1.97 -0.97 115.31 117.90 1lb2 h LEU 73 Ca -0.21 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1lb2 h LEU 73 Cb 1.95 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 1lb2 h LEU 73 CO 0.09 0.10 -0.38 1.23 0.09 0.00 0.00 178.44 179.57 1lb2 h GLY 74 N 0.25 0.08 -0.39 0.83 0.00 -1.90 -3.34 103.07 98.59 1lb2 h GLY 74 Ca 0.42 -0.07 0.31 0.00 0.00 0.00 0.00 47.33 47.98 1lb2 h GLY 74 CO -0.10 0.07 0.69 -2.00 0.00 0.00 0.00 176.54 175.19 1lb2 h LEU 75 N 0.07 0.43 0.05 3.11 5.85 -1.42 -3.24 115.31 120.15 1lb2 h LEU 75 Ca 0.01 0.11 -0.28 0.00 0.84 0.00 0.00 57.88 58.55 1lb2 h LEU 75 Cb 0.71 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1lb2 h LEU 75 CO 0.05 0.01 -1.50 -0.26 -0.34 0.00 0.00 178.44 176.40 1lb2 h PHE 76 N 0.33 0.20 -3.32 1.25 -1.00 -1.77 -3.45 116.94 109.18 1lb2 h PHE 76 Ca 0.66 -0.15 -0.65 0.00 2.81 0.00 0.00 57.97 60.65 1lb2 h PHE 76 Cb 1.73 -0.01 -0.25 0.00 3.61 0.00 0.00 35.95 41.04 1lb2 h PHE 76 CO -0.00 1.19 -0.72 -2.00 -1.61 0.00 0.00 178.31 175.17 1lb2 s GLU 77 N -2.63 3.50 0.28 1.51 2.12 -1.22 -5.08 118.70 117.17 1lb2 s GLU 77 Ca -0.06 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 1lb2 s GLU 77 Cb 0.08 -2.78 -0.10 0.00 0.26 0.00 0.00 34.13 31.58 1lb2 s GLU 77 CO 0.83 0.18 1.46 -2.00 -0.54 0.00 0.00 175.26 175.19 1lb2 s GLU 78 N 0.48 4.23 -0.88 4.30 -6.30 -1.26 -4.18 118.70 115.09 1lb2 s GLU 78 Ca -0.06 2.37 -0.03 0.00 -2.50 0.00 0.00 54.97 54.75 1lb2 s GLU 78 Cb -0.15 -3.08 -0.03 0.00 0.00 0.00 0.00 34.13 30.87 1lb2 s GLU 78 CO 0.04 -0.44 0.80 0.41 0.02 0.00 0.00 175.26 176.08 1lb2 n GLY 79 N 1.88 -1.21 3.83 -1.50 0.00 -1.26 -5.07 105.19 101.86 1lb2 n GLY 79 Ca 0.06 0.52 -0.31 0.00 0.00 0.00 0.00 46.02 46.29 1lb2 n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lb2 s GLN 80 N -3.64 2.23 0.19 1.61 -0.21 -1.26 -5.01 119.66 113.57 1lb2 s GLN 80 Ca 0.21 -2.32 0.07 0.00 0.02 0.00 0.00 55.36 53.34 1lb2 s GLN 80 Cb -0.03 -1.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.23 1lb2 s GLN 80 CO 0.75 -0.51 0.03 -1.21 -2.12 0.00 0.00 175.29 172.23 1lb2 s GLU 81 N -4.05 2.50 0.22 2.91 2.02 -1.26 -1.92 118.70 119.12 1lb2 s GLU 81 Ca 0.12 -1.10 -0.32 0.00 0.02 0.00 0.00 54.97 53.69 1lb2 s GLU 81 Cb -0.01 -2.39 -0.13 0.00 0.10 0.00 0.00 34.13 31.70 1lb2 s GLU 81 CO 0.07 0.45 1.62 0.54 0.02 0.00 0.00 175.26 177.96 1lb2 n ARG 82 N -0.31 2.50 0.20 1.61 5.12 -0.42 -4.79 116.66 120.58 1lb2 n ARG 82 Ca -0.09 0.90 0.15 0.00 -1.93 0.00 0.00 57.85 56.87 1lb2 n ARG 82 Cb 0.56 -2.69 0.65 0.00 -1.16 0.00 0.00 32.46 29.82 1lb2 n ARG 82 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1lb2 h SER 83 N 5.79 0.00 -5.59 0.55 4.64 -1.94 -2.44 113.55 114.56 1lb2 h SER 83 Ca -0.45 0.00 0.32 0.00 -0.47 0.00 0.00 61.79 61.20 1lb2 h SER 83 Cb 1.23 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.19 1lb2 h SER 83 CO 0.88 0.00 0.84 0.00 -0.87 0.00 0.00 176.83 177.67 1lb2 s ALA 84 N -3.55 -2.23 0.40 5.18 0.00 -1.26 -4.96 121.76 115.34 1lb2 s ALA 84 Ca 0.01 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 1lb2 s ALA 84 Cb 0.09 0.29 -0.09 0.00 0.00 0.00 0.00 23.12 23.41 1lb2 s ALA 84 CO 0.41 -1.00 0.84 -1.58 0.00 0.00 0.00 175.76 174.43 1lb2 s TRP 85 N -2.40 3.39 -0.23 0.00 0.52 0.22 -3.55 118.94 116.89 1lb2 s TRP 85 Ca 0.14 1.32 -0.02 0.00 0.02 0.00 0.00 56.10 57.55 1lb2 s TRP 85 Cb 0.04 -2.64 0.07 0.00 -1.15 0.00 0.00 33.47 29.80 1lb2 s TRP 85 CO -0.04 -0.08 0.06 0.08 0.02 0.00 0.00 176.95 176.99 1lb2 s VAL 86 N -2.22 0.54 -0.11 4.03 1.01 -0.23 -0.84 120.40 122.58 1lb2 s VAL 86 Ca 0.56 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1lb2 s VAL 86 Cb -0.10 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1lb2 s VAL 86 CO 0.22 -0.38 0.08 -0.60 0.00 0.00 0.00 175.10 174.41 1lb2 s ARG 87 N 1.83 3.32 -0.17 2.72 3.52 -0.62 -0.48 118.95 129.07 1lb2 s ARG 87 Ca 0.03 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.08 1lb2 s ARG 87 Cb -0.17 -3.04 -0.05 0.00 -1.56 0.00 0.00 34.95 30.13 1lb2 s ARG 87 CO -0.15 0.69 1.95 0.00 -0.81 0.00 0.00 175.30 176.98 1lb2 s ALA 88 N -0.81 3.09 0.20 6.12 0.00 0.17 0.70 121.76 131.23 1lb2 s ALA 88 Ca 0.13 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1lb2 s ALA 88 Cb -0.12 -3.95 0.15 0.00 0.00 0.00 0.00 23.12 19.20 1lb2 s ALA 88 CO 0.03 -2.26 1.54 -0.22 0.00 0.00 0.00 175.76 174.84 1lb2 h LYS 89 N 12.58 0.55 -4.86 0.00 3.64 -1.50 0.20 116.57 127.18 1lb2 h LYS 89 Ca -0.40 -0.32 -0.44 0.00 -1.27 0.00 0.00 60.65 58.21 1lb2 h LYS 89 Cb 1.21 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.92 1lb2 h LYS 89 CO 0.98 0.92 -0.50 0.95 -2.27 0.00 0.00 179.45 179.53 1lb2 s THR 90 N -4.07 0.00 0.37 1.00 -4.23 -1.13 -4.63 115.64 102.94 1lb2 s THR 90 Ca -0.07 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.18 1lb2 s THR 90 Cb 0.12 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.36 1lb2 s THR 90 CO 0.83 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 176.10 1lb2 s ALA 91 N -3.51 3.26 -0.12 3.99 0.00 -1.26 -3.92 121.76 120.21 1lb2 s ALA 91 Ca 0.40 1.01 -0.27 0.00 0.00 0.00 0.00 51.96 53.11 1lb2 s ALA 91 Cb 0.03 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1lb2 s ALA 91 CO 0.26 -0.49 0.64 0.00 0.00 0.00 0.00 175.76 176.17 1lb2 s GLU 93 N -0.65 4.34 -0.04 0.00 2.12 0.26 -0.82 118.70 123.92 1lb2 s GLU 93 Ca -0.07 0.77 0.02 0.00 0.36 0.00 0.00 54.97 56.04 1lb2 s GLU 93 Cb -0.02 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 31.03 1lb2 s GLU 93 CO 0.06 0.35 -0.07 0.08 -0.54 0.00 0.00 175.26 175.14 1lb2 s VAL 94 N -0.13 0.65 -0.05 3.70 1.01 -0.02 -0.56 120.40 125.01 1lb2 s VAL 94 Ca 0.32 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 1lb2 s VAL 94 Cb -0.18 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1lb2 s VAL 94 CO 0.18 0.23 0.46 0.00 0.00 0.00 0.00 175.10 175.97 1lb2 s ALA 95 N 0.58 3.58 0.18 5.51 0.00 0.10 -1.43 121.76 130.28 1lb2 s ALA 95 Ca -0.08 -0.17 0.10 0.00 0.00 0.00 0.00 51.96 51.81 1lb2 s ALA 95 Cb -0.12 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1lb2 s ALA 95 CO 0.01 0.24 -0.23 -1.21 0.00 0.00 0.00 175.76 174.57 1lb2 s GLU 96 N -0.27 1.42 -0.22 0.00 2.02 0.12 -0.55 118.70 121.22 1lb2 s GLU 96 Ca 0.25 -1.46 -0.14 0.00 0.02 0.00 0.00 54.97 53.64 1lb2 s GLU 96 Cb -0.16 -1.69 0.06 0.00 0.10 0.00 0.00 34.13 32.45 1lb2 s GLU 96 CO 0.13 0.36 0.54 0.42 0.02 0.00 0.00 175.26 176.73 1lb2 s ILE 97 N -1.69 -0.01 0.35 -1.63 1.01 -0.23 -1.13 121.20 117.88 1lb2 s ILE 97 Ca 0.18 0.04 -0.28 0.00 0.00 0.00 0.00 60.65 60.58 1lb2 s ILE 97 Cb -0.08 -0.78 -0.11 0.00 0.01 0.00 0.00 42.46 41.50 1lb2 s ILE 97 CO 0.08 0.02 1.47 -1.54 0.00 0.00 0.00 174.94 174.97 1lb2 n SER 98 N 3.89 3.60 -0.32 3.58 3.41 -1.26 0.07 113.62 126.59 1lb2 n SER 98 Ca -0.20 1.21 0.11 0.00 -0.26 0.00 0.00 58.87 59.73 1lb2 n SER 98 Cb 0.57 -1.59 0.33 0.00 -0.26 0.00 0.00 64.21 63.26 1lb2 n SER 98 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1lb2 h TYR 99 N 3.22 0.96 0.00 7.33 0.05 -0.94 -0.97 116.97 126.63 1lb2 h TYR 99 Ca -0.49 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1lb2 h TYR 99 Cb 1.25 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.69 1lb2 h TYR 99 CO 0.53 0.32 0.00 1.17 -1.05 0.00 0.00 178.16 179.14 1lb2 n LYS 100 N -4.62 0.00 -0.35 4.88 4.81 -1.26 -0.86 118.16 120.76 1lb2 n LYS 100 Ca 0.19 0.61 0.25 0.00 -0.87 0.00 0.00 58.31 58.49 1lb2 n LYS 100 Cb 0.48 -1.42 0.52 0.00 0.02 0.00 0.00 35.03 34.62 1lb2 n LYS 100 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1lb2 h LYS 101 N 0.00 0.34 -0.65 1.64 1.57 -1.85 0.17 116.57 117.79 1lb2 h LYS 101 Ca 0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1lb2 h LYS 101 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1lb2 h LYS 101 CO 0.00 0.22 0.18 0.35 -0.57 0.00 0.00 179.45 179.64 1lb2 h PHE 102 N 0.35 1.07 -0.06 -1.35 3.57 -0.54 -0.29 116.94 119.69 1lb2 h PHE 102 Ca 0.66 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 62.06 1lb2 h PHE 102 Cb 1.70 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 1lb2 h PHE 102 CO -0.00 0.88 -0.02 0.00 -2.23 0.00 0.00 178.31 176.93 1lb2 h ARG 103 N 0.96 -0.01 -0.34 1.11 3.08 0.13 -0.97 114.38 118.34 1lb2 h ARG 103 Ca 0.21 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.33 1lb2 h ARG 103 Cb 0.33 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 1lb2 h ARG 103 CO -0.00 -0.01 -0.28 1.96 -1.07 0.00 0.00 179.97 180.57 1lb2 h GLN 104 N -0.01 -0.23 -1.02 0.04 4.20 -0.93 0.26 115.11 117.42 1lb2 h GLN 104 Ca 0.03 0.02 0.26 0.00 0.06 0.00 0.00 58.65 59.02 1lb2 h GLN 104 Cb 0.06 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.77 1lb2 h GLN 104 CO -0.07 -0.15 0.62 -0.07 -0.67 0.00 0.00 178.83 178.48 1lb2 h LEU 105 N -0.24 0.61 -0.70 1.46 3.38 -0.43 -0.37 115.31 119.03 1lb2 h LEU 105 Ca 0.16 0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 1lb2 h LEU 105 Cb 0.50 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1lb2 h LEU 105 CO -0.48 0.08 -0.07 0.40 0.09 0.00 0.00 178.44 178.46 1lb2 h ILE 106 N 0.51 1.26 0.01 1.22 2.04 0.83 -1.93 117.51 121.46 1lb2 h ILE 106 Ca 0.64 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 65.35 1lb2 h ILE 106 Cb 1.35 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 1lb2 h ILE 106 CO -0.44 0.42 -0.24 1.56 0.00 0.00 0.00 178.15 179.44 1lb2 h GLN 107 N 0.84 -0.37 0.00 2.37 4.20 -0.43 0.77 115.11 122.49 1lb2 h GLN 107 Ca 0.14 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1lb2 h GLN 107 Cb 0.60 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 1lb2 h GLN 107 CO 0.04 -0.25 -0.05 -0.39 -0.67 0.00 0.00 178.83 177.51 1lb2 h VAL 108 N -0.38 0.71 -0.80 -0.54 -1.51 -1.38 -3.40 116.25 108.94 1lb2 h VAL 108 Ca 0.06 -0.21 0.10 0.00 -1.23 0.00 0.00 66.70 65.42 1lb2 h VAL 108 Cb 0.46 1.13 -0.21 0.00 -2.13 0.00 0.00 31.29 30.54 1lb2 h VAL 108 CO -0.21 0.05 -0.22 0.21 -1.23 0.00 0.00 177.57 176.17 1lb2 s ASN 109 N -6.45 -1.22 0.54 4.19 2.47 0.15 -5.00 114.94 109.63 1lb2 s ASN 109 Ca -0.04 0.41 0.33 0.00 0.42 0.00 0.00 52.86 53.98 1lb2 s ASN 109 Cb 0.15 1.89 1.27 0.00 -1.45 0.00 0.00 41.25 43.10 1lb2 s ASN 109 CO 0.60 -0.23 1.95 1.55 -3.72 0.00 0.00 177.10 177.25 1lb2 h PRO 110 N 7.90 0.00 -0.88 0.43 0.13 -1.48 -3.10 132.00 134.99 1lb2 h PRO 110 Ca -0.11 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.22 1lb2 h PRO 110 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1lb2 h PRO 110 CO 0.12 0.00 -0.07 0.22 -0.23 0.00 0.00 178.00 178.05 1lb2 h ASP 111 N 0.00 -0.56 -0.36 1.44 1.82 -1.94 0.77 116.42 117.60 1lb2 h ASP 111 Ca -0.00 0.25 0.04 0.00 -0.39 0.00 0.00 57.03 56.93 1lb2 h ASP 111 Cb 0.56 0.46 -0.04 0.00 0.68 0.00 0.00 39.33 40.99 1lb2 h ASP 111 CO 0.00 -0.27 0.12 -0.29 -1.61 0.00 0.00 179.24 177.19 1lb2 h ILE 112 N 0.04 0.89 -0.42 2.25 -0.00 -1.92 -0.45 117.51 117.91 1lb2 h ILE 112 Ca 0.48 -0.09 0.02 0.00 -0.00 0.00 0.00 64.86 65.27 1lb2 h ILE 112 Cb 0.86 0.60 -0.03 0.00 -0.00 0.00 0.00 36.82 38.25 1lb2 h ILE 112 CO -0.84 0.05 0.23 0.25 -0.00 0.00 0.00 178.15 177.85 1lb2 h LEU 113 N 0.27 0.37 -0.53 2.19 5.85 0.11 -0.63 115.31 122.94 1lb2 h LEU 113 Ca 0.16 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.00 1lb2 h LEU 113 Cb 0.14 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.00 1lb2 h LEU 113 CO -0.17 0.26 -0.25 -0.03 -0.34 0.00 0.00 178.44 177.91 1lb2 h MET 114 N 0.47 -0.12 -0.32 1.25 4.05 0.76 0.16 114.93 121.18 1lb2 h MET 114 Ca 0.17 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.65 1lb2 h MET 114 Cb 0.04 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.82 1lb2 h MET 114 CO -0.10 -0.08 0.02 0.00 0.23 0.00 0.00 176.91 176.98 1lb2 h ARG 115 N -0.13 0.11 0.81 0.39 3.08 0.06 -0.34 114.38 118.37 1lb2 h ARG 115 Ca 0.24 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 1lb2 h ARG 115 Cb 0.50 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1lb2 h ARG 115 CO -0.61 0.07 -0.47 1.25 -1.07 0.00 0.00 179.97 179.15 1lb2 h LEU 116 N 0.12 -1.16 -0.73 3.04 5.85 0.54 -2.73 115.31 120.23 1lb2 h LEU 116 Ca 0.15 0.06 0.16 0.00 0.84 0.00 0.00 57.88 59.09 1lb2 h LEU 116 Cb 0.20 0.33 -0.11 0.00 0.37 0.00 0.00 40.66 41.44 1lb2 h LEU 116 CO -0.24 -0.74 0.14 0.28 -0.34 0.00 0.00 178.44 177.54 1lb2 h SER 117 N -1.19 -0.06 -1.12 1.25 0.02 -0.68 0.46 113.55 112.23 1lb2 h SER 117 Ca -0.11 0.16 0.35 0.00 -0.84 0.00 0.00 61.79 61.35 1lb2 h SER 117 Cb 0.94 0.23 -0.13 0.00 0.14 0.00 0.00 62.40 63.58 1lb2 h SER 117 CO 0.13 -0.07 0.69 0.00 -1.14 0.00 0.00 176.83 176.44 1lb2 h ALA 118 N 1.62 2.30 0.01 3.77 0.00 -0.75 0.20 119.26 126.43 1lb2 h ALA 118 Ca 0.41 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 1lb2 h ALA 118 Cb 0.71 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1lb2 h ALA 118 CO -0.54 -0.88 -0.00 1.96 0.00 0.00 0.00 179.25 179.78 1lb2 h GLN 119 N 0.24 -0.01 -0.78 0.00 4.20 0.06 -2.84 115.11 115.98 1lb2 h GLN 119 Ca 0.74 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.61 1lb2 h GLN 119 Cb 1.98 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.66 1lb2 h GLN 119 CO -0.47 0.59 0.29 0.52 -0.67 0.00 0.00 178.83 179.09 1lb2 h MET 120 N -0.63 0.38 -0.18 1.46 2.86 -0.52 0.32 114.93 118.63 1lb2 h MET 120 Ca -0.00 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1lb2 h MET 120 Cb 0.61 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 1lb2 h MET 120 CO 0.00 0.25 -0.30 0.00 1.06 0.00 0.00 176.91 177.93 1lb2 h ALA 121 N 1.60 -0.59 -0.34 6.32 0.00 -0.67 0.62 119.26 126.18 1lb2 h ALA 121 Ca 0.44 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.40 1lb2 h ALA 121 Cb 0.73 0.90 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 1lb2 h ALA 121 CO -0.46 -0.72 -0.51 -0.09 0.00 0.00 0.00 179.25 177.48 1lb2 h ARG 122 N -0.24 -0.40 -0.94 0.00 9.65 -0.77 -0.33 114.38 121.36 1lb2 h ARG 122 Ca 0.03 0.03 0.21 0.00 -1.10 0.00 0.00 59.98 59.15 1lb2 h ARG 122 Cb 0.33 0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.92 1lb2 h ARG 122 CO -0.29 -0.27 0.61 0.00 2.80 0.00 0.00 179.97 182.82 1lb2 h ARG 123 N -0.41 0.47 0.34 0.20 3.08 0.49 -0.88 114.38 117.66 1lb2 h ARG 123 Ca 0.09 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1lb2 h ARG 123 Cb 0.61 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1lb2 h ARG 123 CO -0.55 0.31 -0.16 1.25 -1.07 0.00 0.00 179.97 179.75 1lb2 h LEU 124 N 0.48 -0.38 -0.46 3.04 5.85 0.19 -1.08 115.31 122.94 1lb2 h LEU 124 Ca 0.50 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 59.10 1lb2 h LEU 124 Cb 1.14 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 1lb2 h LEU 124 CO -0.23 0.03 -0.27 0.00 -0.34 0.00 0.00 178.44 177.63 1lb2 n GLN 125 N -5.12 -0.20 0.18 1.25 6.02 -0.44 0.21 117.38 119.27 1lb2 n GLN 125 Ca -0.09 1.17 -0.14 0.00 -0.01 0.00 0.00 57.00 57.92 1lb2 n GLN 125 Cb 0.27 -1.73 -0.07 0.00 1.02 0.00 0.00 30.24 29.74 1lb2 n GLN 125 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1lb2 h VAL 126 N 0.00 0.38 -0.76 5.09 -1.51 -1.30 -0.70 116.25 117.44 1lb2 h VAL 126 Ca 0.07 0.00 0.21 0.00 -1.23 0.00 0.00 66.70 65.75 1lb2 h VAL 126 Cb 0.19 0.38 -0.04 0.00 -2.13 0.00 0.00 31.29 29.69 1lb2 h VAL 126 CO -0.44 0.00 0.54 0.74 -1.23 0.00 0.00 177.57 177.18 1lb2 h THR 127 N -0.60 0.65 -0.17 7.19 2.02 -0.12 0.57 112.91 122.45 1lb2 h THR 127 Ca -0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1lb2 h THR 127 Cb 0.56 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1lb2 h THR 127 CO -0.08 0.02 -0.02 0.28 0.37 0.00 0.00 175.52 176.08 1lb2 h SER 128 N 0.09 0.31 -0.40 4.18 0.02 0.12 -1.71 113.55 116.15 1lb2 h SER 128 Ca 0.37 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1lb2 h SER 128 Cb 1.34 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1lb2 h SER 128 CO -0.04 0.57 0.27 -0.33 -1.14 0.00 0.00 176.83 176.16 1lb2 h GLU 129 N 0.03 0.45 -0.51 3.45 5.08 0.11 0.11 114.58 123.31 1lb2 h GLU 129 Ca 0.04 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1lb2 h GLU 129 Cb 0.43 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1lb2 h GLU 129 CO 0.01 0.30 0.32 -0.22 -1.00 0.00 0.00 179.01 178.43 1lb2 h LYS 130 N 0.47 0.63 -0.05 2.33 1.63 0.23 -0.96 116.57 120.85 1lb2 h LYS 130 Ca 0.16 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1lb2 h LYS 130 Cb 0.05 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1lb2 h LYS 130 CO -0.04 0.42 0.03 0.28 -3.45 0.00 0.00 179.45 176.69 1lb2 h VAL 131 N 0.65 1.08 -0.30 2.00 2.07 0.07 -2.10 116.25 119.72 1lb2 h VAL 131 Ca 0.20 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1lb2 h VAL 131 Cb -0.03 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1lb2 h VAL 131 CO -0.07 0.07 0.21 1.23 0.02 0.00 0.00 177.57 179.04 1lb2 h GLY 132 N -0.02 0.10 0.48 2.17 0.00 -0.92 -0.10 103.07 104.78 1lb2 h GLY 132 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1lb2 h GLY 132 CO -0.00 0.02 -0.07 3.43 0.00 0.00 0.00 176.54 179.92 1lb2 h ASN 133 N 0.08 -0.16 -0.02 0.19 -0.26 -0.57 0.65 115.58 115.49 1lb2 h ASN 133 Ca 0.14 -0.37 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1lb2 h ASN 133 Cb 0.46 0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.76 1lb2 h ASN 133 CO -0.01 0.33 0.03 -0.07 -1.06 0.00 0.00 177.43 176.65 1lb2 h LEU 134 N -0.71 0.00 0.00 1.61 3.38 -1.07 -1.36 115.31 117.17 1lb2 h LEU 134 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1lb2 h LEU 134 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1lb2 h LEU 134 CO 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.34 1lb2 h ALA 135 N 1.95 0.04 0.07 1.53 0.00 -0.55 -3.43 119.26 118.86 1lb2 h ALA 135 Ca 0.01 -0.49 -0.37 0.00 0.00 0.00 0.00 54.91 54.05 1lb2 h ALA 135 Cb 0.07 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1lb2 h ALA 135 CO -0.00 0.13 -2.15 1.19 0.00 0.00 0.00 179.25 178.42 1lb2 n PHE 136 N -4.62 0.76 -2.20 0.00 3.72 0.22 -5.00 117.46 110.34 1lb2 n PHE 136 Ca -0.11 0.17 -0.27 0.00 -0.05 0.00 0.00 57.45 57.19 1lb2 n PHE 136 Cb 0.39 -1.10 0.05 0.00 -0.94 0.00 0.00 39.48 37.88 1lb2 n PHE 136 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1lb2 s LEU 137 N -6.92 3.01 0.43 4.37 1.02 -0.54 -5.07 118.68 114.97 1lb2 s LEU 137 Ca -0.28 0.76 0.08 0.00 0.02 0.00 0.00 54.13 54.71 1lb2 s LEU 137 Cb 0.08 -3.52 -0.00 0.00 0.02 0.00 0.00 46.19 42.76 1lb2 s LEU 137 CO 0.69 -1.30 0.47 1.51 0.02 0.00 0.00 176.35 177.74 1lb2 s ASP 138 N -4.38 5.28 0.20 2.29 -4.77 -1.26 -4.77 116.67 109.25 1lb2 s ASP 138 Ca 0.57 -0.64 -0.16 0.00 -3.30 0.00 0.00 52.55 49.02 1lb2 s ASP 138 Cb -0.11 -0.53 0.19 0.00 -1.09 0.00 0.00 42.92 41.38 1lb2 s ASP 138 CO 0.47 -0.74 1.62 0.58 0.70 0.00 0.00 175.17 177.80 1lb2 h VAL 139 N 0.83 0.36 -0.69 2.11 2.07 -1.97 0.56 116.25 119.52 1lb2 h VAL 139 Ca -0.40 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.19 1lb2 h VAL 139 Cb 1.27 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1lb2 h VAL 139 CO 0.52 0.00 0.37 0.74 0.02 0.00 0.00 177.57 179.22 1lb2 h THR 140 N -0.04 0.93 0.50 2.57 2.02 -1.96 0.20 112.91 117.13 1lb2 h THR 140 Ca 0.27 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1lb2 h THR 140 Cb 0.46 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1lb2 h THR 140 CO -0.61 0.12 -0.32 1.23 0.37 0.00 0.00 175.52 176.31 1lb2 h GLY 141 N 0.67 -0.84 0.83 2.16 0.00 -0.48 0.20 103.07 105.60 1lb2 h GLY 141 Ca 0.32 0.36 0.03 0.00 0.00 0.00 0.00 47.33 48.03 1lb2 h GLY 141 CO -0.21 -0.31 0.19 3.21 0.00 0.00 0.00 176.54 179.42 1lb2 h ARG 142 N -0.78 0.37 -0.70 4.80 3.08 0.11 0.41 114.38 121.67 1lb2 h ARG 142 Ca -0.06 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1lb2 h ARG 142 Cb 0.65 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1lb2 h ARG 142 CO 0.05 0.25 0.46 0.82 -1.07 0.00 0.00 179.97 180.48 1lb2 h ILE 143 N 0.39 1.18 0.09 2.04 2.04 -0.53 0.55 117.51 123.27 1lb2 h ILE 143 Ca 0.16 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1lb2 h ILE 143 Cb 0.06 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.24 1lb2 h ILE 143 CO -0.11 0.17 -0.43 0.00 0.00 0.00 0.00 178.15 177.78 1lb2 h ALA 144 N 1.26 -0.76 -0.45 1.87 0.00 0.16 -1.55 119.26 119.79 1lb2 h ALA 144 Ca 0.26 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1lb2 h ALA 144 Cb -0.11 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1lb2 h ALA 144 CO -0.06 -1.00 0.01 1.96 0.00 0.00 0.00 179.25 180.17 1lb2 h GLN 145 N -0.65 0.12 -0.93 0.00 1.08 -0.31 -2.57 115.11 111.86 1lb2 h GLN 145 Ca 0.02 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1lb2 h GLN 145 Cb 0.69 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.04 1lb2 h GLN 145 CO -0.27 0.08 0.54 1.15 -0.95 0.00 0.00 178.83 179.38 1lb2 h THR 146 N 0.13 1.26 -0.27 -0.54 2.02 -0.57 -0.13 112.91 114.82 1lb2 h THR 146 Ca 0.22 -0.60 0.06 0.00 0.77 0.00 0.00 66.41 66.86 1lb2 h THR 146 Cb 0.32 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1lb2 h THR 146 CO -0.36 0.28 0.19 -0.07 0.37 0.00 0.00 175.52 175.93 1lb2 h LEU 147 N 1.29 0.07 0.14 2.58 3.38 -0.87 0.65 115.31 122.55 1lb2 h LEU 147 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1lb2 h LEU 147 Cb -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1lb2 h LEU 147 CO -0.06 0.04 -0.07 -0.07 0.09 0.00 0.00 178.44 178.38 1lb2 h LEU 148 N 0.07 -0.16 -0.06 1.67 -0.00 -0.97 -2.35 115.31 113.51 1lb2 h LEU 148 Ca 0.12 -0.37 0.03 0.00 -0.00 0.00 0.00 57.88 57.66 1lb2 h LEU 148 Cb 0.40 0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.06 1lb2 h LEU 148 CO -0.01 0.34 -0.15 0.78 -0.00 0.00 0.00 178.44 179.40 1lb2 h ASN 149 N -0.73 -0.44 -0.18 -0.43 2.35 0.39 -0.66 115.58 115.88 1lb2 h ASN 149 Ca -0.02 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1lb2 h ASN 149 Cb 0.52 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1lb2 h ASN 149 CO 0.03 -0.20 0.13 -0.07 -1.65 0.00 0.00 177.43 175.68 1lb2 h LEU 150 N -0.21 0.00 -1.41 1.61 3.38 0.17 0.60 115.31 119.44 1lb2 h LEU 150 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1lb2 h LEU 150 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1lb2 h LEU 150 CO -0.19 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.11 1lb2 h ALA 151 N 1.90 1.16 -0.07 1.53 0.00 -0.57 -2.95 119.26 120.26 1lb2 h ALA 151 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1lb2 h ALA 151 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1lb2 h ALA 151 CO -0.00 0.29 -0.19 0.87 0.00 0.00 0.00 179.25 180.22 1lb2 h LYS 152 N 0.00 0.25 -4.57 0.00 1.57 0.93 -3.45 116.57 111.30 1lb2 h LYS 152 Ca -0.00 -0.18 -0.43 0.00 -1.87 0.00 0.00 60.65 58.17 1lb2 h LYS 152 Cb 0.61 0.03 0.17 0.00 0.08 0.00 0.00 32.23 33.11 1lb2 h LYS 152 CO 0.03 0.79 -1.23 1.04 -0.57 0.00 0.00 179.45 179.51 1lb2 n GLN 153 N -4.56 0.00 0.29 3.15 1.13 -0.97 -4.84 117.38 111.58 1lb2 n GLN 153 Ca -0.08 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.82 1lb2 n GLN 153 Cb 0.41 -0.76 -0.08 0.00 0.11 0.00 0.00 30.24 29.92 1lb2 n GLN 153 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1lb2 h PRO 154 N -0.50 -0.68 0.00 -1.09 0.13 -1.90 -2.85 132.00 125.11 1lb2 h PRO 154 Ca -0.33 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1lb2 h PRO 154 Cb 1.03 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1lb2 h PRO 154 CO 0.23 -0.43 0.00 -0.40 -0.23 0.00 0.00 178.00 177.17 1lb2 n ASP 155 N -5.37 0.00 -4.73 1.44 3.85 -1.26 -4.70 116.55 105.77 1lb2 n ASP 155 Ca -0.12 0.00 -0.35 0.00 -0.71 0.00 0.00 54.79 53.61 1lb2 n ASP 155 Cb 0.30 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 40.15 1lb2 n ASP 155 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1lb2 s ALA 156 N -1.87 2.27 -0.13 2.12 0.00 -1.08 -4.94 121.76 118.14 1lb2 s ALA 156 Ca 0.00 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 1lb2 s ALA 156 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1lb2 s ALA 156 CO 0.00 -1.65 -0.12 1.41 0.00 0.00 0.00 175.76 175.40 1lb2 s MET 157 N -3.66 3.38 0.16 0.00 1.75 -0.40 -4.96 119.30 115.57 1lb2 s MET 157 Ca 0.77 -0.66 -0.31 0.00 -1.25 0.00 0.00 55.69 54.24 1lb2 s MET 157 Cb -0.32 -2.66 -0.09 0.00 2.84 0.00 0.00 34.83 34.61 1lb2 s MET 157 CO 0.41 0.24 1.44 0.95 -0.65 0.00 0.00 175.02 177.41 1lb2 s THR 158 N 0.30 3.01 0.03 10.11 -4.23 -1.26 -1.11 115.64 122.49 1lb2 s THR 158 Ca -0.09 0.75 0.03 0.00 -1.18 0.00 0.00 61.69 61.19 1lb2 s THR 158 Cb -0.15 -3.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.19 1lb2 s THR 158 CO 0.05 0.07 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.84 1lb2 s HIS 159 N 0.86 0.74 0.16 3.99 5.04 0.50 -4.85 115.29 121.73 1lb2 s HIS 159 Ca 0.65 -0.39 -0.24 0.00 -1.54 0.00 0.00 55.06 53.54 1lb2 s HIS 159 Cb -0.39 -0.45 0.05 0.00 0.04 0.00 0.00 32.58 31.83 1lb2 s HIS 159 CO 0.33 -0.04 1.59 -1.00 -2.34 0.00 0.00 174.74 173.28 1lb2 h PRO 160 N 4.86 -0.26 -0.68 2.88 0.13 -1.99 -0.53 132.00 136.41 1lb2 h PRO 160 Ca -0.35 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1lb2 h PRO 160 Cb 1.20 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1lb2 h PRO 160 CO 0.43 -0.17 0.00 -0.25 -0.23 0.00 0.00 178.00 177.78 1lb2 n ASP 161 N -5.42 0.68 0.00 1.44 8.00 -1.26 -4.97 116.55 115.03 1lb2 n ASP 161 Ca 0.01 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1lb2 n ASP 161 Cb 0.34 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1lb2 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lb2 n GLY 162 N 0.16 0.41 3.55 0.44 0.00 -0.21 -3.70 105.19 105.85 1lb2 n GLY 162 Ca 0.00 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 1lb2 n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1lb2 s MET 163 N -0.08 2.49 -0.03 1.61 -1.94 -1.04 -0.37 119.30 119.94 1lb2 s MET 163 Ca 0.00 -0.74 0.07 0.00 -1.71 0.00 0.00 55.69 53.31 1lb2 s MET 163 Cb 0.00 -2.44 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 1lb2 s MET 163 CO 0.00 0.60 -0.23 -1.14 -0.01 0.00 0.00 175.02 174.24 1lb2 s GLN 164 N -1.24 2.24 0.01 2.03 0.74 -0.26 -0.43 119.66 122.74 1lb2 s GLN 164 Ca 0.15 -0.87 -0.07 0.00 0.05 0.00 0.00 55.36 54.62 1lb2 s GLN 164 Cb -0.11 -2.13 0.00 0.00 1.10 0.00 0.00 33.01 31.87 1lb2 s GLN 164 CO 0.05 0.56 0.13 0.96 -0.55 0.00 0.00 175.29 176.45 1lb2 s ILE 165 N -0.61 0.09 -0.16 -2.34 -4.36 0.19 -1.27 121.20 112.74 1lb2 s ILE 165 Ca 0.09 -0.72 -0.03 0.00 -0.26 0.00 0.00 60.65 59.73 1lb2 s ILE 165 Cb -0.10 -0.46 -0.02 0.00 1.25 0.00 0.00 42.46 43.13 1lb2 s ILE 165 CO -0.00 -0.40 -0.06 -0.54 0.24 0.00 0.00 174.94 174.18 1lb2 s LYS 166 N -1.47 3.55 -0.29 0.37 1.02 -1.26 -0.19 119.74 121.47 1lb2 s LYS 166 Ca -0.14 -0.58 -0.25 0.00 0.02 0.00 0.00 55.97 55.02 1lb2 s LYS 166 Cb -0.07 -2.87 0.15 0.00 -0.52 0.00 0.00 37.83 34.52 1lb2 s LYS 166 CO 0.01 0.15 1.18 -1.50 -0.92 0.00 0.00 175.35 174.27 1lb2 s ILE 167 N 0.59 0.00 0.77 2.17 2.07 0.07 -5.00 121.20 121.86 1lb2 s ILE 167 Ca -0.04 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.08 1lb2 s ILE 167 Cb -0.15 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.49 1lb2 s ILE 167 CO 0.03 0.00 1.13 0.42 -1.91 0.00 0.00 174.94 174.60 1lb2 s THR 168 N 0.19 2.86 0.14 4.00 -4.23 -1.26 -4.68 115.64 112.66 1lb2 s THR 168 Ca 0.04 0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 60.76 1lb2 s THR 168 Cb -0.05 -3.22 -0.13 0.00 1.34 0.00 0.00 72.50 70.44 1lb2 s THR 168 CO -0.10 -0.37 1.37 0.03 -0.54 0.00 0.00 174.62 175.01 1lb2 h ARG 169 N -0.90 0.64 -0.42 3.99 3.08 -1.93 -2.30 114.38 116.53 1lb2 h ARG 169 Ca -0.46 -0.51 0.06 0.00 0.07 0.00 0.00 59.98 59.14 1lb2 h ARG 169 Cb 1.28 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.39 1lb2 h ARG 169 CO 0.64 1.13 0.12 1.96 -1.07 0.00 0.00 179.97 182.75 1lb2 h GLN 170 N 0.44 0.26 0.09 0.04 4.20 -1.94 0.44 115.11 118.64 1lb2 h GLN 170 Ca -0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1lb2 h GLN 170 Cb 1.35 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 1lb2 h GLN 170 CO 0.14 0.17 -0.09 0.93 -0.67 0.00 0.00 178.83 179.32 1lb2 h GLU 171 N 0.27 -0.17 -1.60 1.46 5.08 -1.91 -0.46 114.58 117.25 1lb2 h GLU 171 Ca 0.20 0.01 0.46 0.00 -1.00 0.00 0.00 59.36 59.03 1lb2 h GLU 171 Cb 0.21 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1lb2 h GLU 171 CO -0.23 -0.11 1.20 0.82 -1.00 0.00 0.00 179.01 179.69 1lb2 h ILE 172 N -0.17 0.14 0.64 3.13 2.04 -1.10 1.04 117.51 123.24 1lb2 h ILE 172 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1lb2 h ILE 172 Cb 0.15 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1lb2 h ILE 172 CO -0.01 0.00 -0.31 1.23 0.00 0.00 0.00 178.15 179.06 1lb2 h GLY 173 N 0.00 -0.90 2.00 5.37 0.00 0.72 -0.92 103.07 109.34 1lb2 h GLY 173 Ca 0.76 0.33 0.00 0.00 0.00 0.00 0.00 47.33 48.42 1lb2 h GLY 173 CO -0.01 -0.33 0.00 1.46 0.00 0.00 0.00 176.54 177.66 1lb2 h GLN 174 N -0.89 0.00 0.03 4.80 4.20 0.18 0.73 115.11 124.17 1lb2 h GLN 174 Ca -0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1lb2 h GLN 174 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1lb2 h GLN 174 CO 0.14 0.00 -0.02 0.82 -0.67 0.00 0.00 178.83 179.11 1lb2 h ILE 175 N 0.00 0.00 0.00 2.54 1.08 -0.83 0.92 117.51 121.22 1lb2 h ILE 175 Ca 0.00 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1lb2 h ILE 175 Cb 0.16 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.91 1lb2 h ILE 175 CO 0.00 0.00 0.00 1.33 -0.69 0.00 0.00 178.15 178.79 1lb2 n VAL 176 N -3.11 0.68 -2.24 1.67 0.24 -0.39 -4.72 118.33 110.45 1lb2 n VAL 176 Ca -0.01 0.07 -0.05 0.00 -2.04 0.00 0.00 64.34 62.31 1lb2 n VAL 176 Cb 0.02 -0.88 0.02 0.00 -1.47 0.00 0.00 33.84 31.53 1lb2 n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lb2 n GLY 177 N 0.57 -0.20 3.66 7.63 0.00 0.25 -4.98 105.19 112.13 1lb2 n GLY 177 Ca 0.04 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1lb2 n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lb2 s SER 179 N -3.17 6.11 0.33 0.00 1.04 -1.26 -4.48 113.70 112.27 1lb2 s SER 179 Ca 0.23 1.60 0.08 0.00 0.48 0.00 0.00 55.95 58.34 1lb2 s SER 179 Cb -0.03 -2.50 0.59 0.00 0.10 0.00 0.00 66.02 64.17 1lb2 s SER 179 CO 0.16 -0.95 1.78 0.08 0.98 0.00 0.00 173.24 175.30 1lb2 h ARG 180 N 0.21 0.19 0.46 4.02 0.11 -1.89 -1.92 114.38 115.57 1lb2 h ARG 180 Ca -0.46 -0.07 -0.02 0.00 0.10 0.00 0.00 59.98 59.53 1lb2 h ARG 180 Cb 1.20 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1lb2 h ARG 180 CO 0.60 0.51 -0.22 0.93 0.10 0.00 0.00 179.97 181.88 1lb2 h GLU 181 N 0.17 -0.60 -0.81 0.08 3.07 -1.93 -1.92 114.58 112.63 1lb2 h GLU 181 Ca 0.02 0.04 0.24 0.00 -0.50 0.00 0.00 59.36 59.16 1lb2 h GLU 181 Cb 0.68 0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 1lb2 h GLU 181 CO 0.05 -0.30 0.63 1.15 -1.40 0.00 0.00 179.01 179.13 1lb2 h THR 182 N -0.88 0.51 -0.09 1.13 2.02 -1.91 0.40 112.91 114.08 1lb2 h THR 182 Ca -0.06 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 1lb2 h THR 182 Cb 0.58 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1lb2 h THR 182 CO 0.10 0.00 -0.39 0.58 0.37 0.00 0.00 175.52 176.19 1lb2 h VAL 183 N 0.00 1.39 -0.45 3.16 2.07 -0.95 -1.92 116.25 119.56 1lb2 h VAL 183 Ca 0.39 -1.75 0.08 0.00 0.82 0.00 0.00 66.70 66.24 1lb2 h VAL 183 Cb 1.63 2.24 -0.07 0.00 -1.52 0.00 0.00 31.29 33.57 1lb2 h VAL 183 CO -0.00 0.51 0.05 1.23 0.02 0.00 0.00 177.57 179.38 1lb2 h GLY 184 N -0.02 0.50 0.11 2.17 0.00 0.48 0.25 103.07 106.55 1lb2 h GLY 184 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1lb2 h GLY 184 CO 0.08 -0.08 -0.08 3.21 0.00 0.00 0.00 176.54 179.67 1lb2 h ARG 185 N 0.17 -0.17 -0.36 4.80 3.08 -1.00 0.69 114.38 121.58 1lb2 h ARG 185 Ca 0.22 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.39 1lb2 h ARG 185 Cb 0.30 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1lb2 h ARG 185 CO -0.33 -0.12 0.55 0.82 -1.07 0.00 0.00 179.97 179.83 1lb2 h ILE 186 N -0.18 0.20 0.07 2.04 5.03 -1.19 0.32 117.51 123.80 1lb2 h ILE 186 Ca -0.01 0.00 -0.19 0.00 -0.12 0.00 0.00 64.86 64.54 1lb2 h ILE 186 Cb 0.15 0.53 0.02 0.00 -3.03 0.00 0.00 36.82 34.48 1lb2 h ILE 186 CO 0.00 0.00 -0.77 0.25 -0.68 0.00 0.00 178.15 176.96 1lb2 h LEU 187 N 0.00 0.55 -0.11 1.44 5.85 0.33 -2.06 115.31 121.31 1lb2 h LEU 187 Ca 0.17 -0.84 -0.00 0.00 0.84 0.00 0.00 57.88 58.05 1lb2 h LEU 187 Cb 1.28 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1lb2 h LEU 187 CO -0.00 1.34 0.07 0.11 -0.34 0.00 0.00 178.44 179.61 1lb2 h LYS 188 N -0.15 0.16 -0.73 1.25 1.57 0.19 -2.24 116.57 116.61 1lb2 h LYS 188 Ca -0.12 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.81 1lb2 h LYS 188 Cb 1.52 -0.03 -0.12 0.00 0.08 0.00 0.00 32.23 33.68 1lb2 h LYS 188 CO 0.15 0.15 0.09 1.98 -0.57 0.00 0.00 179.45 181.24 1lb2 h MET 189 N 0.12 0.17 0.00 3.15 4.05 -1.00 0.31 114.93 121.72 1lb2 h MET 189 Ca 0.04 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1lb2 h MET 189 Cb 0.03 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.79 1lb2 h MET 189 CO -0.01 0.11 -0.14 -0.07 0.23 0.00 0.00 176.91 177.04 1lb2 h LEU 190 N 0.18 0.00 -0.01 3.39 3.38 -0.94 -2.07 115.31 119.23 1lb2 h LEU 190 Ca 0.40 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.11 1lb2 h LEU 190 Cb 0.70 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.47 1lb2 h LEU 190 CO -0.58 0.14 -1.06 -0.33 0.09 0.00 0.00 178.44 176.71 1lb2 h GLU 191 N 0.00 0.65 0.57 1.13 5.08 0.12 -0.96 114.58 121.17 1lb2 h GLU 191 Ca -0.00 -0.72 -0.03 0.00 -1.00 0.00 0.00 59.36 57.61 1lb2 h GLU 191 Cb 0.57 0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1lb2 h GLU 191 CO 0.02 1.30 -0.27 -0.44 -1.00 0.00 0.00 179.01 178.62 1lb2 h ASP 192 N 0.36 -0.65 0.00 1.42 3.32 -0.85 -0.41 116.42 119.60 1lb2 h ASP 192 Ca -0.13 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1lb2 h ASP 192 Cb 1.71 0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.43 1lb2 h ASP 192 CO 0.20 -0.40 0.00 0.00 -1.72 0.00 0.00 179.24 177.32 1lb2 n GLN 193 N -5.38 0.00 -3.55 3.56 6.02 -0.81 -4.78 117.38 112.44 1lb2 n GLN 193 Ca -0.12 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.57 1lb2 n GLN 193 Cb 0.33 -1.02 0.02 0.00 1.02 0.00 0.00 30.24 30.59 1lb2 n GLN 193 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1lb2 n ASN 194 N -0.47 -4.78 0.00 1.08 5.15 -0.16 -4.88 115.26 111.20 1lb2 n ASN 194 Ca 0.00 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 1lb2 n ASN 194 Cb 0.00 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 37.76 1lb2 n ASN 194 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1lb2 n LEU 195 N -1.38 0.00 -4.02 1.20 4.77 -0.38 -5.02 117.00 112.17 1lb2 n LEU 195 Ca -0.20 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.69 1lb2 n LEU 195 Cb 0.65 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.65 1lb2 n LEU 195 CO 0.56 0.00 -0.19 0.27 -1.33 0.00 0.00 177.39 176.70 1lb2 s ILE 196 N -1.38 0.12 0.07 -0.08 -4.36 -1.20 -1.82 121.20 112.55 1lb2 s ILE 196 Ca 0.00 -1.60 0.09 0.00 -0.26 0.00 0.00 60.65 58.88 1lb2 s ILE 196 Cb 0.00 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 1lb2 s ILE 196 CO 0.00 -0.57 -0.23 -0.55 0.24 0.00 0.00 174.94 173.83 1lb2 s SER 197 N -2.96 3.47 -0.19 4.36 0.15 -0.11 -4.27 113.70 114.15 1lb2 s SER 197 Ca 0.15 -0.57 -0.04 0.00 0.70 0.00 0.00 55.95 56.19 1lb2 s SER 197 Cb 0.06 -0.40 0.09 0.00 -1.71 0.00 0.00 66.02 64.06 1lb2 s SER 197 CO -0.04 0.23 0.24 0.00 1.20 0.00 0.00 173.24 174.87 1lb2 s ALA 198 N -0.93 -0.37 -0.36 5.45 0.00 -1.26 -0.48 121.76 123.82 1lb2 s ALA 198 Ca 0.14 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1lb2 s ALA 198 Cb -0.10 -1.26 0.11 0.00 0.00 0.00 0.00 23.12 21.86 1lb2 s ALA 198 CO 0.05 -1.08 0.11 -1.01 0.00 0.00 0.00 175.76 173.83 1lb2 s HIS 199 N 2.36 2.61 0.00 0.00 3.76 0.69 -5.00 115.29 119.70 1lb2 s HIS 199 Ca 0.06 -2.42 0.00 0.00 -0.15 0.00 0.00 55.06 52.56 1lb2 s HIS 199 Cb -0.15 -2.27 0.00 0.00 1.11 0.00 0.00 32.58 31.27 1lb2 s HIS 199 CO -0.11 -0.88 0.00 0.41 -0.85 0.00 0.00 174.74 173.31 1lb2 n GLY 200 N 4.30 2.69 0.00 -2.22 0.00 -1.26 -1.08 105.19 107.62 1lb2 n GLY 200 Ca 0.02 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.79 1lb2 n GLY 200 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lb2 n LYS 201 N 13.57 0.09 -3.27 1.61 4.81 -1.26 -4.66 118.16 129.04 1lb2 n LYS 201 Ca 0.00 0.14 -0.42 0.00 -0.87 0.00 0.00 58.31 57.17 1lb2 n LYS 201 Cb 0.00 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.47 1lb2 n LYS 201 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1lb2 s THR 202 N -2.87 5.04 0.03 3.15 2.01 -0.24 -0.75 115.64 122.01 1lb2 s THR 202 Ca 0.12 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.34 1lb2 s THR 202 Cb 0.13 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1lb2 s THR 202 CO 0.34 -0.26 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.18 1lb2 s ILE 203 N 2.32 2.66 -0.24 1.82 1.01 0.73 -0.23 121.20 129.27 1lb2 s ILE 203 Ca 0.17 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1lb2 s ILE 203 Cb -0.16 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.28 1lb2 s ILE 203 CO 0.14 0.37 -0.05 -0.69 0.00 0.00 0.00 174.94 174.70 1lb2 s VAL 204 N -0.88 1.56 -0.51 2.92 1.01 0.37 0.56 120.40 125.43 1lb2 s VAL 204 Ca 0.14 -1.25 -0.24 0.00 0.00 0.00 0.00 61.98 60.62 1lb2 s VAL 204 Cb -0.10 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.49 1lb2 s VAL 204 CO 0.04 -0.10 0.92 0.68 0.00 0.00 0.00 175.10 176.63 1lb2 s VAL 205 N 1.38 4.45 0.92 2.92 -7.23 0.42 -0.93 120.40 122.33 1lb2 s VAL 205 Ca -0.06 0.45 -0.11 0.00 -1.81 0.00 0.00 61.98 60.45 1lb2 s VAL 205 Cb -0.19 -4.48 0.14 0.00 0.56 0.00 0.00 36.38 32.42 1lb2 s VAL 205 CO -0.06 -0.97 1.09 -0.31 -0.31 0.00 0.00 175.10 174.54 1lb2 s TYR 206 N 3.80 2.09 0.00 2.82 2.02 -0.75 -2.49 117.35 124.84 1lb2 s TYR 206 Ca 0.33 1.40 0.00 0.00 -0.37 0.00 0.00 57.07 58.42 1lb2 s TYR 206 Cb -0.12 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.28 1lb2 s TYR 206 CO 0.22 -2.58 0.00 0.41 -1.57 0.00 0.00 175.55 172.03 1lb2 n GLY 207 N -0.62 2.94 3.73 0.71 0.00 -1.24 -4.90 105.19 105.80 1lb2 n GLY 207 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1lb2 n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lb2 s THR 208 N -2.22 3.80 0.00 2.61 2.01 -1.25 -5.05 115.64 115.53 1lb2 s THR 208 Ca 0.00 1.47 0.00 0.00 0.31 0.00 0.00 61.69 63.47 1lb2 s THR 208 Cb 0.00 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1lb2 s THR 208 CO 0.00 0.22 0.00 0.54 -0.69 0.00 0.00 174.62 174.69