#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a66 s LYS 2 N 0.00 0.15 -0.35 0.03 1.02 -1.26 -5.11 119.74 114.22 1a66 s LYS 2 Ca 0.00 0.66 0.04 0.00 0.02 0.00 0.00 55.97 56.69 1a66 s LYS 2 Cb 0.00 -0.09 0.17 0.00 -0.52 0.00 0.00 37.83 37.39 1a66 s LYS 2 CO 0.00 -0.25 0.46 -0.51 -0.92 0.00 0.00 175.35 174.13 1a66 s ASP 3 N 2.06 0.13 -0.37 2.83 1.01 -1.26 -5.00 116.67 116.06 1a66 s ASP 3 Ca -0.02 -0.87 0.06 0.00 0.71 0.00 0.00 52.55 52.43 1a66 s ASP 3 Cb -0.12 1.15 0.49 0.00 1.01 0.00 0.00 42.92 45.46 1a66 s ASP 3 CO -0.08 -0.28 1.52 1.87 0.21 0.00 0.00 175.17 178.42 1a66 n TRP 4 N 4.76 2.06 -3.19 4.23 -0.00 -1.26 -4.82 117.44 119.22 1a66 n TRP 4 Ca 0.07 -2.07 0.02 0.00 -0.00 0.00 0.00 57.50 55.51 1a66 n TRP 4 Cb 0.50 -0.66 -0.01 0.00 -0.00 0.00 0.00 31.31 31.14 1a66 n TRP 4 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1a66 s GLN 5 N -3.47 0.74 -0.43 5.87 -1.52 -1.26 -5.09 119.66 114.50 1a66 s GLN 5 Ca 0.51 -0.06 0.02 0.00 -1.95 0.00 0.00 55.36 53.89 1a66 s GLN 5 Cb 0.43 0.14 0.15 0.00 -0.22 0.00 0.00 33.01 33.51 1a66 s GLN 5 CO 0.01 -1.14 0.29 -0.48 -0.25 0.00 0.00 175.29 173.73 1a66 s LEU 6 N 2.10 1.95 0.00 2.90 2.34 -1.26 -4.93 118.68 121.78 1a66 s LEU 6 Ca 0.15 -2.79 0.00 0.00 0.06 0.00 0.00 54.13 51.55 1a66 s LEU 6 Cb -0.05 -0.69 0.00 0.00 -0.56 0.00 0.00 46.19 44.88 1a66 s LEU 6 CO -0.12 -0.22 0.00 -0.81 -1.06 0.00 0.00 176.35 174.14 1a66 n PRO 7 N 3.27 0.01 0.20 1.48 -0.04 -1.26 -4.91 135.00 133.75 1a66 n PRO 7 Ca 0.18 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.79 1a66 n PRO 7 Cb 0.40 0.00 0.64 0.00 -0.04 0.00 0.00 33.50 34.50 1a66 n PRO 7 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1a66 h SER 8 N -0.12 0.00 -1.27 3.54 0.02 -2.02 -3.43 113.55 110.26 1a66 h SER 8 Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 1a66 h SER 8 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1a66 h SER 8 CO 0.00 0.00 -0.28 -1.00 -1.14 0.00 0.00 176.83 174.41 1a66 s HIS 9 N -3.53 2.42 -0.84 3.45 3.76 -1.26 -5.03 115.29 114.26 1a66 s HIS 9 Ca 0.01 -0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 54.39 1a66 s HIS 9 Cb 0.09 -2.24 0.35 0.00 1.11 0.00 0.00 32.58 31.89 1a66 s HIS 9 CO 0.40 -0.45 1.83 0.43 -0.85 0.00 0.00 174.74 176.10 1a66 n SER 10 N -1.80 7.05 0.00 1.40 7.64 -1.14 -4.96 113.62 121.81 1a66 n SER 10 Ca 0.07 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.17 1a66 n SER 10 Cb 0.61 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1a66 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a66 n GLY 11 N -0.41 2.54 0.01 0.23 0.00 -1.26 -2.03 105.19 104.28 1a66 n GLY 11 Ca 0.50 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1a66 n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a66 n PRO 12 N 12.90 1.01 -4.17 1.61 -0.04 -1.26 -4.83 135.00 140.22 1a66 n PRO 12 Ca 0.00 -0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.19 1a66 n PRO 12 Cb 0.00 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 1a66 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1a66 s TYR 13 N -2.00 2.97 -0.30 0.54 2.02 -0.86 -4.62 117.35 115.10 1a66 s TYR 13 Ca 0.35 -0.11 -0.14 0.00 -0.37 0.00 0.00 57.07 56.80 1a66 s TYR 13 Cb 0.16 -1.39 0.15 0.00 -0.40 0.00 0.00 41.96 40.48 1a66 s TYR 13 CO 0.27 0.54 0.86 -1.83 -1.57 0.00 0.00 175.55 173.82 1a66 s GLU 14 N -3.32 0.42 -0.44 -0.62 -1.05 0.67 -2.88 118.70 111.48 1a66 s GLU 14 Ca 0.30 0.99 -0.14 0.00 -0.15 0.00 0.00 54.97 55.97 1a66 s GLU 14 Cb -0.09 0.52 0.06 0.00 -0.44 0.00 0.00 34.13 34.18 1a66 s GLU 14 CO 0.22 -0.13 0.33 -1.17 0.95 0.00 0.00 175.26 175.46 1a66 s LEU 15 N 2.41 5.35 0.09 1.83 2.96 -1.26 -0.97 118.68 129.10 1a66 s LEU 15 Ca -0.05 -1.26 0.08 0.00 -0.22 0.00 0.00 54.13 52.68 1a66 s LEU 15 Cb -0.08 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1a66 s LEU 15 CO -0.18 -0.56 -0.21 -0.13 -1.32 0.00 0.00 176.35 173.95 1a66 s ARG 16 N 1.59 1.14 0.11 1.98 0.52 -1.18 -4.86 118.95 118.26 1a66 s ARG 16 Ca 0.04 -1.12 -0.28 0.00 -0.52 0.00 0.00 55.73 53.85 1a66 s ARG 16 Cb -0.23 -1.38 -0.06 0.00 0.52 0.00 0.00 34.95 33.81 1a66 s ARG 16 CO 0.06 0.32 0.90 0.42 0.02 0.00 0.00 175.30 177.02 1a66 s ILE 17 N -1.11 4.50 0.00 1.52 1.09 -1.26 -2.91 121.20 123.02 1a66 s ILE 17 Ca 0.06 1.94 0.00 0.00 -1.10 0.00 0.00 60.65 61.55 1a66 s ILE 17 Cb -0.10 -4.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.04 1a66 s ILE 17 CO 0.04 0.36 0.00 -0.62 -0.10 0.00 0.00 174.94 174.62 1a66 n GLU 18 N 2.56 0.00 -1.58 2.79 -0.58 -1.04 -4.73 120.64 118.07 1a66 n GLU 18 Ca 0.00 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.30 1a66 n GLU 18 Cb 0.49 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.32 1a66 n GLU 18 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1a66 n VAL 19 N 0.00 0.33 -3.56 2.62 0.31 -1.26 -4.77 118.33 112.00 1a66 n VAL 19 Ca 0.00 -0.41 -0.33 0.00 -0.01 0.00 0.00 64.34 63.59 1a66 n VAL 19 Cb 0.00 -2.39 -0.05 0.00 -0.91 0.00 0.00 33.84 30.49 1a66 n VAL 19 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1a66 s GLN 20 N 6.24 3.73 1.01 5.55 -0.21 -1.26 -0.74 119.66 133.97 1a66 s GLN 20 Ca 1.02 0.11 -0.17 0.00 0.02 0.00 0.00 55.36 56.34 1a66 s GLN 20 Cb -0.44 -2.84 0.24 0.00 1.00 0.00 0.00 33.01 30.96 1a66 s GLN 20 CO 0.38 0.46 1.24 -0.35 -2.12 0.00 0.00 175.29 174.90 1a66 n PRO 21 N 0.31 -1.67 -2.21 2.91 -0.04 -1.26 -4.85 135.00 128.19 1a66 n PRO 21 Ca -0.03 -1.93 -0.26 0.00 -0.04 0.00 0.00 63.50 61.23 1a66 n PRO 21 Cb 0.52 -1.39 0.10 0.00 -0.04 0.00 0.00 33.50 32.69 1a66 n PRO 21 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1a66 s LYS 22 N -5.74 1.82 0.00 0.54 3.01 -1.26 -4.89 119.74 113.22 1a66 s LYS 22 Ca 0.72 -0.41 0.10 0.00 -1.01 0.00 0.00 55.97 55.37 1a66 s LYS 22 Cb -0.03 -2.13 0.49 0.00 -1.01 0.00 0.00 37.83 35.15 1a66 s LYS 22 CO 0.52 -1.50 1.33 0.43 0.51 0.00 0.00 175.35 176.64 1a66 n SER 23 N -3.07 0.37 -4.37 2.83 7.64 -1.26 -4.83 113.62 110.92 1a66 n SER 23 Ca 0.10 -1.77 -0.19 0.00 1.01 0.00 0.00 58.87 58.03 1a66 n SER 23 Cb 0.60 -0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 1a66 n SER 23 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1a66 s HIS 24 N -1.93 1.73 -0.00 1.43 3.76 -1.26 -1.25 115.29 117.77 1a66 s HIS 24 Ca 0.15 -1.08 -0.17 0.00 -0.15 0.00 0.00 55.06 53.81 1a66 s HIS 24 Cb 0.07 -1.07 0.05 0.00 1.11 0.00 0.00 32.58 32.75 1a66 s HIS 24 CO 0.12 -0.18 0.75 -2.39 -0.85 0.00 0.00 174.74 172.19 1a66 n HIS 25 N -0.57 -0.34 -3.86 1.40 1.44 -1.23 -4.79 115.22 107.28 1a66 n HIS 25 Ca -0.01 -0.45 -0.30 0.00 -2.01 0.00 0.00 57.72 54.95 1a66 n HIS 25 Cb 0.66 0.20 -0.15 0.00 0.12 0.00 0.00 29.99 30.83 1a66 n HIS 25 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1a66 s ARG 26 N -2.01 1.13 0.16 -1.40 6.06 -1.26 -4.71 118.95 116.92 1a66 s ARG 26 Ca 0.18 -1.56 -0.16 0.00 -2.50 0.00 0.00 55.73 51.69 1a66 s ARG 26 Cb -0.01 -2.57 -0.07 0.00 0.06 0.00 0.00 34.95 32.36 1a66 s ARG 26 CO -0.00 -0.99 0.60 0.00 -2.50 0.00 0.00 175.30 172.41 1a66 s ALA 27 N 1.12 3.53 0.58 6.12 0.00 -1.26 -4.35 121.76 127.50 1a66 s ALA 27 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1a66 s ALA 27 Cb -0.19 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1a66 s ALA 27 CO -0.15 0.42 0.00 0.54 0.00 0.00 0.00 175.76 176.57 1a66 n ARG 28 N 0.83 2.20 -4.37 0.00 5.12 -1.12 -4.42 116.66 114.91 1a66 n ARG 28 Ca -0.05 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.69 1a66 n ARG 28 Cb 0.52 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.71 1a66 n ARG 28 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1a66 s TYR 29 N 0.94 1.71 0.27 -1.55 1.51 -1.26 -0.37 117.35 118.60 1a66 s TYR 29 Ca 0.00 -0.80 0.08 0.00 -1.01 0.00 0.00 57.07 55.33 1a66 s TYR 29 Cb 0.00 -0.97 0.37 0.00 -0.11 0.00 0.00 41.96 41.24 1a66 s TYR 29 CO 0.00 0.12 1.63 1.49 -1.11 0.00 0.00 175.55 177.68 1a66 h GLU 30 N 2.41 0.13 -0.17 -0.62 4.22 -1.98 -1.44 114.58 117.14 1a66 h GLU 30 Ca -0.39 -0.08 -0.17 0.00 0.08 0.00 0.00 59.36 58.80 1a66 h GLU 30 Cb 1.22 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1a66 h GLU 30 CO 0.66 0.65 -0.59 1.15 -2.18 0.00 0.00 179.01 178.69 1a66 h THR 31 N 0.10 1.32 -0.80 0.32 2.02 -1.99 -3.07 112.91 110.81 1a66 h THR 31 Ca -0.00 -1.86 -0.38 0.00 0.77 0.00 0.00 66.41 64.94 1a66 h THR 31 Cb 1.01 1.83 -0.22 0.00 -1.74 0.00 0.00 68.15 69.03 1a66 h THR 31 CO 0.08 0.58 0.41 -1.84 0.37 0.00 0.00 175.52 175.12 1a66 n GLU 32 N -3.94 2.49 -1.44 6.66 0.28 -1.13 -5.00 120.64 118.56 1a66 n GLU 32 Ca -0.04 -3.06 -0.55 0.00 -0.16 0.00 0.00 57.16 53.35 1a66 n GLU 32 Cb 0.63 -2.11 -0.09 0.00 1.43 0.00 0.00 31.44 31.31 1a66 n GLU 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1a66 n GLY 33 N -0.92 0.36 0.22 -1.84 0.00 -0.55 -4.35 105.19 98.10 1a66 n GLY 33 Ca 0.50 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.51 1a66 n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a66 n SER 34 N 8.19 0.00 -0.70 1.61 3.41 -1.26 -5.10 113.62 119.77 1a66 n SER 34 Ca 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1a66 n SER 34 Cb 0.12 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1a66 n SER 34 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a66 n ARG 35 N -1.29 3.02 0.00 4.33 1.74 -1.26 -4.96 116.66 118.24 1a66 n ARG 35 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1a66 n ARG 35 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1a66 n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a66 n GLY 36 N 5.00 3.00 0.00 -0.13 0.00 -1.26 -4.72 105.19 107.09 1a66 n GLY 36 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1a66 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a66 n ALA 37 N -3.00 0.00 -2.73 4.61 0.00 -1.26 -4.41 120.51 113.72 1a66 n ALA 37 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1a66 n ALA 37 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1a66 n ALA 37 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1a66 n VAL 38 N 0.00 0.55 -4.46 0.00 3.14 -1.26 -3.99 118.33 112.31 1a66 n VAL 38 Ca 0.00 -2.00 -0.23 0.00 -2.96 0.00 0.00 64.34 59.15 1a66 n VAL 38 Cb 0.00 1.05 -0.06 0.00 -1.06 0.00 0.00 33.84 33.77 1a66 n VAL 38 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1a66 n LYS 39 N -0.86 0.68 -3.68 1.45 4.81 -1.26 -3.63 118.16 115.66 1a66 n LYS 39 Ca -0.03 -2.99 -0.13 0.00 -0.87 0.00 0.00 58.31 54.28 1a66 n LYS 39 Cb 0.84 1.50 -0.07 0.00 0.02 0.00 0.00 35.03 37.32 1a66 n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a66 s ALA 40 N -2.92 -1.01 0.32 3.14 0.00 -1.23 -4.40 121.76 115.67 1a66 s ALA 40 Ca 0.15 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.57 1a66 s ALA 40 Cb 0.01 0.22 0.68 0.00 0.00 0.00 0.00 23.12 24.02 1a66 s ALA 40 CO 0.11 -0.38 1.87 0.77 0.00 0.00 0.00 175.76 178.13 1a66 h SER 41 N 3.28 0.79 0.00 0.00 0.02 -1.96 -3.31 113.55 112.38 1a66 h SER 41 Ca -0.30 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1a66 h SER 41 Cb 1.19 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1a66 h SER 41 CO 0.42 0.43 -0.38 0.00 -1.14 0.00 0.00 176.83 176.16 1a66 n ALA 42 N -2.40 0.34 -1.47 3.77 0.00 -1.26 -5.01 120.51 114.47 1a66 n ALA 42 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1a66 n ALA 42 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1a66 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a66 n GLY 43 N 1.59 1.00 0.00 0.00 0.00 -1.25 -5.09 105.19 101.44 1a66 n GLY 43 Ca -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1a66 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a66 n GLY 44 N 5.00 0.00 0.00 -0.02 0.00 -1.26 -3.47 105.19 105.44 1a66 n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a66 n GLY 44 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1a66 n HIS 45 N 0.00 0.00 -2.61 1.61 1.44 -1.24 -4.44 115.22 109.99 1a66 n HIS 45 Ca 0.00 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.35 1a66 n HIS 45 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 1a66 n HIS 45 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1a66 s PRO 46 N 0.00 4.17 0.15 -1.40 0.04 -1.26 -4.70 135.00 132.00 1a66 s PRO 46 Ca 0.00 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1a66 s PRO 46 Cb 0.00 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1a66 s PRO 46 CO 0.00 -0.12 -0.07 0.42 0.04 0.00 0.00 177.00 177.26 1a66 s ILE 47 N -1.77 1.03 -0.07 0.56 -1.09 0.08 -0.57 121.20 119.37 1a66 s ILE 47 Ca 0.59 -2.03 -0.03 0.00 -2.23 0.00 0.00 60.65 56.95 1a66 s ILE 47 Cb -0.19 -1.90 0.04 0.00 -1.58 0.00 0.00 42.46 38.83 1a66 s ILE 47 CO 0.24 -0.70 0.13 -0.69 -1.23 0.00 0.00 174.94 172.69 1a66 s VAL 48 N -3.42 -0.21 -0.04 2.92 1.01 -0.32 -2.49 120.40 117.85 1a66 s VAL 48 Ca 0.18 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1a66 s VAL 48 Cb 0.04 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1a66 s VAL 48 CO 0.01 0.14 -0.05 -1.58 0.00 0.00 0.00 175.10 173.62 1a66 s GLN 49 N 2.25 0.85 -0.17 2.72 -0.44 -1.15 -1.38 119.66 122.35 1a66 s GLN 49 Ca 0.04 -0.13 -0.12 0.00 -2.50 0.00 0.00 55.36 52.66 1a66 s GLN 49 Cb -0.12 -0.84 -0.05 0.00 -1.64 0.00 0.00 33.01 30.36 1a66 s GLN 49 CO -0.05 -0.06 0.21 -1.17 0.50 0.00 0.00 175.29 174.72 1a66 s LEU 50 N 0.83 4.25 -0.41 3.68 0.20 -1.24 -3.12 118.68 122.87 1a66 s LEU 50 Ca -0.11 0.40 0.03 0.00 0.69 0.00 0.00 54.13 55.14 1a66 s LEU 50 Cb -0.14 -2.23 0.11 0.00 -0.43 0.00 0.00 46.19 43.50 1a66 s LEU 50 CO 0.00 0.17 0.15 -2.28 -0.29 0.00 0.00 176.35 174.10 1a66 s HIS 51 N 0.23 3.15 0.00 5.38 5.65 -0.14 -4.82 115.29 124.73 1a66 s HIS 51 Ca 0.13 -2.87 0.00 0.00 0.25 0.00 0.00 55.06 52.57 1a66 s HIS 51 Cb -0.12 -2.65 0.00 0.00 -1.18 0.00 0.00 32.58 28.63 1a66 s HIS 51 CO 0.02 -0.85 0.00 0.41 -0.65 0.00 0.00 174.74 173.67 1a66 n GLY 52 N 3.83 -2.01 3.54 1.59 0.00 -1.26 -0.24 105.19 110.64 1a66 n GLY 52 Ca 0.04 0.67 -0.34 0.00 0.00 0.00 0.00 46.02 46.39 1a66 n GLY 52 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1a66 n TYR 53 N 0.00 1.17 -1.50 1.61 9.36 -1.26 -4.76 117.16 121.78 1a66 n TYR 53 Ca 0.00 0.15 -0.34 0.00 3.32 0.00 0.00 57.90 61.03 1a66 n TYR 53 Cb 0.00 -2.51 0.07 0.00 -0.63 0.00 0.00 39.34 36.27 1a66 n TYR 53 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1a66 n LEU 54 N 14.89 7.30 -4.76 2.98 4.77 -1.26 -4.97 117.00 135.94 1a66 n LEU 54 Ca 0.45 -4.42 -0.23 0.00 -0.03 0.00 0.00 56.01 51.78 1a66 n LEU 54 Cb 0.42 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 1a66 n LEU 54 CO 0.75 1.60 -0.15 -0.70 -1.33 0.00 0.00 177.39 177.55 1a66 s GLU 55 N -3.82 2.39 0.00 3.23 2.12 -1.26 -5.01 118.70 116.35 1a66 s GLU 55 Ca 0.62 -1.59 0.08 0.00 0.36 0.00 0.00 54.97 54.43 1a66 s GLU 55 Cb 0.49 -2.18 0.32 0.00 0.26 0.00 0.00 34.13 33.02 1a66 s GLU 55 CO -0.05 0.01 1.23 -1.71 -0.54 0.00 0.00 175.26 174.21 1a66 n ASN 56 N -1.24 0.78 -4.82 -1.70 5.15 -1.26 -4.84 115.26 107.32 1a66 n ASN 56 Ca -0.02 -1.89 -0.37 0.00 -0.60 0.00 0.00 54.58 51.70 1a66 n ASN 56 Cb 0.62 -0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.72 1a66 n ASN 56 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1a66 s GLU 57 N -1.82 4.18 1.02 1.20 2.12 -1.26 -5.04 118.70 119.10 1a66 s GLU 57 Ca 0.15 0.75 -0.15 0.00 0.36 0.00 0.00 54.97 56.07 1a66 s GLU 57 Cb 0.07 -3.01 0.20 0.00 0.26 0.00 0.00 34.13 31.66 1a66 s GLU 57 CO 0.11 0.49 1.17 -1.25 -0.54 0.00 0.00 175.26 175.24 1a66 s PRO 58 N -1.70 0.23 0.09 4.30 0.04 -1.26 -5.01 135.00 131.69 1a66 s PRO 58 Ca 0.37 0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.47 1a66 s PRO 58 Cb -0.17 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1a66 s PRO 58 CO 0.20 -2.76 -0.11 -1.17 0.04 0.00 0.00 177.00 173.21 1a66 s LEU 59 N -6.31 2.39 -0.53 -3.56 2.96 -1.22 -4.97 118.68 107.43 1a66 s LEU 59 Ca 0.69 -0.79 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1a66 s LEU 59 Cb -0.11 -0.33 0.29 0.00 0.50 0.00 0.00 46.19 46.54 1a66 s LEU 59 CO 0.54 -0.24 0.75 0.80 -1.32 0.00 0.00 176.35 176.88 1a66 n MET 60 N 0.64 2.10 -1.74 1.98 0.00 -1.26 -0.07 117.12 118.77 1a66 n MET 60 Ca -0.17 -4.23 -0.41 0.00 -0.00 0.00 0.00 57.70 52.89 1a66 n MET 60 Cb 0.57 -1.95 0.01 0.00 0.00 0.00 0.00 33.22 31.85 1a66 n MET 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1a66 n LEU 61 N 0.63 4.62 -4.21 -0.89 7.94 -0.91 -4.45 117.00 119.72 1a66 n LEU 61 Ca 0.28 1.13 -0.24 0.00 -1.11 0.00 0.00 56.01 56.06 1a66 n LEU 61 Cb 0.46 -1.56 -0.14 0.00 0.53 0.00 0.00 43.42 42.71 1a66 n LEU 61 CO 0.32 -0.32 -0.50 -1.10 -1.11 0.00 0.00 177.39 174.67 1a66 s GLN 62 N -2.30 1.30 -0.03 1.96 1.11 -0.29 -1.05 119.66 120.36 1a66 s GLN 62 Ca 0.60 -0.83 -0.01 0.00 0.01 0.00 0.00 55.36 55.13 1a66 s GLN 62 Cb -0.48 -1.36 -0.04 0.00 -1.01 0.00 0.00 33.01 30.13 1a66 s GLN 62 CO 0.58 0.35 0.09 -1.17 0.01 0.00 0.00 175.29 175.16 1a66 s LEU 63 N -0.99 3.97 -0.04 2.90 1.98 0.64 -1.04 118.68 126.10 1a66 s LEU 63 Ca 0.06 0.20 -0.02 0.00 -2.89 0.00 0.00 54.13 51.48 1a66 s LEU 63 Cb -0.08 -2.24 0.03 0.00 0.66 0.00 0.00 46.19 44.56 1a66 s LEU 63 CO 0.01 0.30 0.06 0.12 -1.89 0.00 0.00 176.35 174.94 1a66 s PHE 64 N -1.16 0.08 0.21 5.38 5.36 0.28 -2.14 117.98 125.98 1a66 s PHE 64 Ca 0.21 0.24 -0.20 0.00 -0.96 0.00 0.00 56.93 56.22 1a66 s PHE 64 Cb -0.12 -0.47 -0.08 0.00 -0.34 0.00 0.00 43.02 42.01 1a66 s PHE 64 CO 0.12 -0.19 0.72 0.42 -1.46 0.00 0.00 175.22 174.83 1a66 s ILE 65 N 2.09 4.56 -0.17 3.12 -1.09 -1.20 -0.60 121.20 127.92 1a66 s ILE 65 Ca 0.04 1.31 -0.08 0.00 -2.23 0.00 0.00 60.65 59.69 1a66 s ILE 65 Cb -0.12 -3.89 0.06 0.00 -1.58 0.00 0.00 42.46 36.93 1a66 s ILE 65 CO -0.03 0.26 0.39 -0.83 -1.23 0.00 0.00 174.94 173.50 1a66 s GLY 66 N -1.57 -0.31 0.60 6.18 0.00 0.07 -4.71 107.32 107.59 1a66 s GLY 66 Ca 0.41 1.46 -0.14 0.00 0.00 0.00 0.00 44.72 46.45 1a66 s GLY 66 CO 0.21 1.74 -0.37 -1.30 0.00 0.00 0.00 173.10 173.38 1a66 n THR 67 N 4.43 0.00 -2.83 0.90 -2.24 -1.26 0.47 114.28 113.75 1a66 n THR 67 Ca -0.21 -0.40 -0.44 0.00 -2.27 0.00 0.00 64.05 60.73 1a66 n THR 67 Cb 0.54 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1a66 n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a66 s ALA 68 N -1.61 3.78 0.65 6.98 0.00 -1.03 -3.76 121.76 126.78 1a66 s ALA 68 Ca 0.39 -3.22 0.00 0.00 0.00 0.00 0.00 51.96 49.14 1a66 s ALA 68 Cb -0.27 -4.30 0.09 0.00 0.00 0.00 0.00 23.12 18.64 1a66 s ALA 68 CO 0.60 -2.94 0.90 -0.51 0.00 0.00 0.00 175.76 173.81 1a66 s ASP 69 N 3.28 4.74 0.00 0.00 1.01 -1.26 -4.88 116.67 119.57 1a66 s ASP 69 Ca 0.46 -0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.48 1a66 s ASP 69 Cb -0.01 -0.34 0.00 0.00 1.01 0.00 0.00 42.92 43.58 1a66 s ASP 69 CO 0.03 -1.56 0.11 0.47 0.21 0.00 0.00 175.17 174.43 1a66 n ASP 70 N -2.62 0.00 0.00 0.27 8.00 -1.26 -4.92 116.55 116.01 1a66 n ASP 70 Ca 0.12 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1a66 n ASP 70 Cb 0.60 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1a66 n ASP 70 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1a66 n ARG 71 N -0.62 0.00 -2.15 -1.24 3.00 -1.26 -4.96 116.66 109.42 1a66 n ARG 71 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 1a66 n ARG 71 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 32.46 32.41 1a66 n ARG 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1a66 s LEU 72 N -1.24 4.35 0.85 6.15 1.43 -1.26 -5.01 118.68 123.96 1a66 s LEU 72 Ca 0.00 2.60 -0.12 0.00 -1.03 0.00 0.00 54.13 55.58 1a66 s LEU 72 Cb 0.00 -3.76 0.10 0.00 0.03 0.00 0.00 46.19 42.56 1a66 s LEU 72 CO 0.00 -0.60 1.14 -1.48 0.23 0.00 0.00 176.35 175.64 1a66 s LEU 73 N -2.02 2.29 0.00 1.79 0.05 -1.26 -4.76 118.68 114.76 1a66 s LEU 73 Ca 0.52 0.96 0.01 0.00 0.05 0.00 0.00 54.13 55.66 1a66 s LEU 73 Cb -0.37 -3.40 -0.00 0.00 -2.05 0.00 0.00 46.19 40.37 1a66 s LEU 73 CO 0.49 -2.21 0.03 0.54 -0.55 0.00 0.00 176.35 174.65 1a66 n ARG 74 N -3.54 0.75 -2.26 1.48 1.74 -1.26 -5.05 116.66 108.52 1a66 n ARG 74 Ca 0.07 -3.62 -0.43 0.00 -0.77 0.00 0.00 57.85 53.10 1a66 n ARG 74 Cb 0.59 1.14 -0.02 0.00 -1.02 0.00 0.00 32.46 33.15 1a66 n ARG 74 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1a66 s PRO 75 N -3.76 3.77 0.30 5.56 0.04 -1.26 -4.44 135.00 135.21 1a66 s PRO 75 Ca 0.04 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.20 1a66 s PRO 75 Cb 0.00 -3.99 -0.16 0.00 0.04 0.00 0.00 34.50 30.39 1a66 s PRO 75 CO 0.03 -1.32 0.34 1.58 0.04 0.00 0.00 177.00 177.67 1a66 n HIS 76 N 8.34 -1.16 0.00 0.56 -0.00 -1.26 -4.75 115.22 116.95 1a66 n HIS 76 Ca 0.17 0.79 0.00 0.00 -0.00 0.00 0.00 57.72 58.68 1a66 n HIS 76 Cb 0.46 -1.89 0.00 0.00 -0.00 0.00 0.00 29.99 28.56 1a66 n HIS 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a66 n ALA 77 N -0.49 0.00 -2.71 1.57 0.00 -1.26 -4.79 120.51 112.82 1a66 n ALA 77 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 1a66 n ALA 77 Cb 0.33 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.87 1a66 n ALA 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1a66 n PHE 78 N 0.00 -0.87 -0.88 0.00 3.01 -1.26 -4.35 117.46 113.12 1a66 n PHE 78 Ca 0.00 -2.08 -0.18 0.00 1.01 0.00 0.00 57.45 56.21 1a66 n PHE 78 Cb 0.00 0.82 -0.09 0.00 -0.01 0.00 0.00 39.48 40.20 1a66 n PHE 78 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1a66 n TYR 79 N -0.78 0.73 -3.23 1.38 4.02 -1.26 -4.79 117.16 113.22 1a66 n TYR 79 Ca -0.03 -1.70 -0.38 0.00 -0.01 0.00 0.00 57.90 55.78 1a66 n TYR 79 Cb 0.84 -1.63 -0.06 0.00 -0.02 0.00 0.00 39.34 38.48 1a66 n TYR 79 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1a66 s GLN 80 N 1.95 4.22 0.06 -0.72 -2.07 -1.26 -4.70 119.66 117.15 1a66 s GLN 80 Ca 0.53 0.77 -0.16 0.00 -1.82 0.00 0.00 55.36 54.68 1a66 s GLN 80 Cb 0.21 -3.17 0.03 0.00 -1.09 0.00 0.00 33.01 28.98 1a66 s GLN 80 CO -0.02 0.59 0.38 0.08 -1.32 0.00 0.00 175.29 175.00 1a66 s VAL 81 N -1.19 0.07 0.00 3.63 1.01 -1.26 -4.50 120.40 118.16 1a66 s VAL 81 Ca 0.32 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1a66 s VAL 81 Cb -0.19 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1a66 s VAL 81 CO 0.20 -0.31 0.00 1.41 0.00 0.00 0.00 175.10 176.40 1a66 n HIS 82 N 0.39 0.00 -3.64 5.22 8.25 -1.26 -4.92 115.22 119.27 1a66 n HIS 82 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 1a66 n HIS 82 Cb 0.60 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.64 1a66 n HIS 82 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1a66 s ARG 83 N 0.19 0.65 -0.30 -0.41 1.04 -1.26 -4.52 118.95 114.33 1a66 s ARG 83 Ca 0.00 0.90 -0.12 0.00 -1.04 0.00 0.00 55.73 55.48 1a66 s ARG 83 Cb 0.00 0.24 0.18 0.00 -2.04 0.00 0.00 34.95 33.34 1a66 s ARG 83 CO 0.00 -0.10 1.07 -1.50 -0.04 0.00 0.00 175.30 174.73 1a66 s ILE 84 N 0.82 -0.20 0.00 4.99 1.10 -1.26 -4.86 121.20 121.80 1a66 s ILE 84 Ca -0.03 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.11 1a66 s ILE 84 Cb -0.05 -0.15 0.00 0.00 0.15 0.00 0.00 42.46 42.41 1a66 s ILE 84 CO -0.09 0.00 0.00 1.07 -2.11 0.00 0.00 174.94 173.81 1a66 n THR 85 N 4.76 0.00 0.00 4.00 5.66 -1.26 -4.23 114.28 123.21 1a66 n THR 85 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1a66 n THR 85 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1a66 n THR 85 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1a66 n GLY 86 N 0.00 0.48 0.00 1.09 0.00 -1.26 -4.32 105.19 101.18 1a66 n GLY 86 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1a66 n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a66 n LYS 87 N 0.00 3.14 -2.71 1.61 2.85 -1.26 -4.95 118.16 116.84 1a66 n LYS 87 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 1a66 n LYS 87 Cb 0.00 -0.98 0.09 0.00 -0.65 0.00 0.00 35.03 33.49 1a66 n LYS 87 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1a66 n THR 88 N -2.04 0.00 -3.72 0.58 5.66 -1.26 -5.06 114.28 108.43 1a66 n THR 88 Ca 0.00 -1.27 -0.33 0.00 -3.05 0.00 0.00 64.05 59.40 1a66 n THR 88 Cb 0.48 1.29 -0.08 0.00 -1.55 0.00 0.00 70.33 70.47 1a66 n THR 88 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1a66 s VAL 89 N 0.20 3.91 -0.61 1.08 1.01 -1.26 -4.91 120.40 119.82 1a66 s VAL 89 Ca 0.21 -4.03 0.03 0.00 0.00 0.00 0.00 61.98 58.19 1a66 s VAL 89 Cb 0.30 -3.46 0.38 0.00 0.00 0.00 0.00 36.38 33.60 1a66 s VAL 89 CO -0.09 -1.07 1.37 -1.20 0.00 0.00 0.00 175.10 174.11 1a66 n SER 90 N 2.18 5.59 0.45 3.32 7.64 -1.26 -4.23 113.62 127.31 1a66 n SER 90 Ca 0.21 -3.74 -0.18 0.00 1.01 0.00 0.00 58.87 56.17 1a66 n SER 90 Cb 0.36 -0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 62.80 1a66 n SER 90 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1a66 h THR 91 N 2.47 0.00 -1.50 0.44 2.02 -1.91 -3.43 112.91 111.00 1a66 h THR 91 Ca 0.36 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 67.32 1a66 h THR 91 Cb 0.58 0.00 -0.26 0.00 -1.74 0.00 0.00 68.15 66.73 1a66 h THR 91 CO 1.02 0.00 -0.51 -0.89 0.37 0.00 0.00 175.52 175.51 1a66 s THR 92 N -5.41 -0.73 0.06 3.16 2.01 -1.26 -5.05 115.64 108.42 1a66 s THR 92 Ca -0.17 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 1a66 s THR 92 Cb 0.02 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.67 1a66 s THR 92 CO 0.51 -0.22 0.36 -0.94 -0.69 0.00 0.00 174.62 173.64 1a66 s SER 93 N 2.46 -0.19 0.10 3.53 1.04 -1.26 -4.72 113.70 114.65 1a66 s SER 93 Ca 0.11 -0.16 -0.26 0.00 0.48 0.00 0.00 55.95 56.12 1a66 s SER 93 Cb -0.11 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.49 1a66 s SER 93 CO -0.25 -0.68 0.98 -2.28 0.98 0.00 0.00 173.24 171.99 1a66 s HIS 94 N -2.78 -0.17 0.06 5.02 2.46 -0.83 -4.90 115.29 114.16 1a66 s HIS 94 Ca -0.03 -0.08 -0.01 0.00 0.47 0.00 0.00 55.06 55.41 1a66 s HIS 94 Cb -0.00 0.61 -0.04 0.00 -0.13 0.00 0.00 32.58 33.02 1a66 s HIS 94 CO -0.05 -0.70 -0.02 -1.83 -2.47 0.00 0.00 174.74 169.67 1a66 s GLU 95 N -3.15 0.66 -0.42 2.88 -1.05 -1.26 -3.05 118.70 113.31 1a66 s GLU 95 Ca 0.11 -1.25 0.06 0.00 -0.15 0.00 0.00 54.97 53.73 1a66 s GLU 95 Cb -0.01 0.20 0.17 0.00 -0.44 0.00 0.00 34.13 34.05 1a66 s GLU 95 CO -0.01 -0.13 0.54 0.00 0.95 0.00 0.00 175.26 176.62 1a66 s ALA 96 N -3.92 -1.35 0.45 -0.84 0.00 0.93 -4.67 121.76 112.35 1a66 s ALA 96 Ca 0.09 -0.54 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 1a66 s ALA 96 Cb 0.08 -2.41 -0.08 0.00 0.00 0.00 0.00 23.12 20.71 1a66 s ALA 96 CO -0.08 -2.18 1.33 0.42 0.00 0.00 0.00 175.76 175.25 1a66 s ILE 97 N 1.35 2.42 0.19 0.00 -1.09 -1.26 -2.42 121.20 120.39 1a66 s ILE 97 Ca 0.21 0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 58.98 1a66 s ILE 97 Cb -0.06 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 1a66 s ILE 97 CO -0.06 0.04 0.10 -0.22 -1.23 0.00 0.00 174.94 173.57 1a66 s LEU 98 N -2.76 1.44 -0.81 2.97 0.20 0.13 -4.95 118.68 114.89 1a66 s LEU 98 Ca 0.61 -1.33 -0.22 0.00 0.69 0.00 0.00 54.13 53.88 1a66 s LEU 98 Cb -0.39 0.29 -0.18 0.00 -0.43 0.00 0.00 46.19 45.48 1a66 s LEU 98 CO 0.49 -0.78 2.37 -1.20 -0.29 0.00 0.00 176.35 176.94 1a66 n SER 99 N -0.24 1.08 -2.43 3.68 7.64 -1.26 -1.42 113.62 120.67 1a66 n SER 99 Ca -0.01 -1.13 -0.17 0.00 1.01 0.00 0.00 58.87 58.58 1a66 n SER 99 Cb 0.65 -1.38 0.04 0.00 -1.01 0.00 0.00 64.21 62.51 1a66 n SER 99 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1a66 n ASN 100 N 15.25 -5.04 -3.55 6.43 3.02 -1.26 -5.00 115.26 125.10 1a66 n ASN 100 Ca 0.51 -0.26 -0.11 0.00 -0.03 0.00 0.00 54.58 54.69 1a66 n ASN 100 Cb 0.36 -3.83 -0.03 0.00 -0.61 0.00 0.00 39.78 35.67 1a66 n ASN 100 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1a66 s THR 101 N -3.07 0.04 -0.02 3.41 2.01 -0.50 -4.42 115.64 113.08 1a66 s THR 101 Ca 0.28 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 1a66 s THR 101 Cb -0.12 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.28 1a66 s THR 101 CO 0.35 -0.18 0.25 -1.59 -0.69 0.00 0.00 174.62 172.75 1a66 s LYS 102 N -3.79 0.55 -0.05 4.92 -2.85 -1.26 0.17 119.74 117.43 1a66 s LYS 102 Ca 0.02 -0.15 -0.04 0.00 -1.00 0.00 0.00 55.97 54.80 1a66 s LYS 102 Cb 0.01 0.24 0.02 0.00 -2.06 0.00 0.00 37.83 36.04 1a66 s LYS 102 CO -0.12 -0.13 0.13 0.14 0.10 0.00 0.00 175.35 175.47 1a66 s VAL 103 N -1.07 -0.02 -0.45 1.79 -7.23 -1.01 -3.21 120.40 109.19 1a66 s VAL 103 Ca -0.11 0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 59.97 1a66 s VAL 103 Cb -0.05 -0.20 0.06 0.00 0.56 0.00 0.00 36.38 36.74 1a66 s VAL 103 CO 0.03 0.02 0.36 -0.76 -0.31 0.00 0.00 175.10 174.44 1a66 s LEU 104 N 0.41 5.44 0.45 1.32 1.43 -0.91 -0.05 118.68 126.77 1a66 s LEU 104 Ca -0.03 -1.25 -0.22 0.00 -1.03 0.00 0.00 54.13 51.61 1a66 s LEU 104 Cb -0.04 -2.15 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 1a66 s LEU 104 CO -0.02 -0.59 1.05 -1.61 0.23 0.00 0.00 176.35 175.41 1a66 s GLU 105 N 1.62 3.93 -0.32 1.70 2.02 -1.17 -0.26 118.70 126.23 1a66 s GLU 105 Ca 0.04 1.43 0.03 0.00 0.02 0.00 0.00 54.97 56.48 1a66 s GLU 105 Cb -0.23 -2.27 0.16 0.00 0.10 0.00 0.00 34.13 31.89 1a66 s GLU 105 CO 0.07 -0.33 0.41 0.96 0.02 0.00 0.00 175.26 176.39 1a66 s ILE 106 N -1.85 -0.58 0.00 -1.63 -4.36 -0.22 -1.95 121.20 110.62 1a66 s ILE 106 Ca 0.64 -0.44 -0.30 0.00 -0.26 0.00 0.00 60.65 60.28 1a66 s ILE 106 Cb -0.19 -0.84 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 1a66 s ILE 106 CO 0.23 -0.35 1.18 -2.16 0.24 0.00 0.00 174.94 174.08 1a66 s PRO 107 N 2.23 4.41 -0.06 0.37 0.04 -1.26 -2.14 135.00 138.59 1a66 s PRO 107 Ca 0.12 1.69 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 1a66 s PRO 107 Cb -0.12 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1a66 s PRO 107 CO -0.23 -0.32 0.68 -0.51 0.04 0.00 0.00 177.00 176.67 1a66 s LEU 108 N 1.55 4.33 1.01 -3.56 2.01 0.90 -4.92 118.68 119.99 1a66 s LEU 108 Ca 0.57 1.18 -0.15 0.00 0.01 0.00 0.00 54.13 55.73 1a66 s LEU 108 Cb -0.26 -3.06 0.20 0.00 0.01 0.00 0.00 46.19 43.08 1a66 s LEU 108 CO 0.26 -0.09 1.19 -0.76 1.01 0.00 0.00 176.35 177.96 1a66 s LEU 109 N 0.70 1.88 0.00 1.79 1.02 -1.26 -3.44 118.68 119.37 1a66 s LEU 109 Ca 0.37 0.63 0.00 0.00 0.02 0.00 0.00 54.13 55.15 1a66 s LEU 109 Cb -0.18 -2.70 0.00 0.00 0.02 0.00 0.00 46.19 43.33 1a66 s LEU 109 CO 0.18 -3.04 0.21 -0.81 0.02 0.00 0.00 176.35 172.90 1a66 n PRO 110 N -4.04 0.00 -2.51 1.29 -0.04 -1.26 -4.43 135.00 124.01 1a66 n PRO 110 Ca 0.11 0.23 -0.38 0.00 -0.04 0.00 0.00 63.50 63.42 1a66 n PRO 110 Cb 0.59 -0.87 0.01 0.00 -0.04 0.00 0.00 33.50 33.20 1a66 n PRO 110 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1a66 n GLU 111 N -1.19 4.39 -0.83 0.54 0.28 -1.26 -4.60 120.64 117.96 1a66 n GLU 111 Ca 0.00 -4.43 -0.05 0.00 -0.16 0.00 0.00 57.16 52.52 1a66 n GLU 111 Cb 0.00 -2.38 0.20 0.00 1.43 0.00 0.00 31.44 30.69 1a66 n GLU 111 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a66 n ASN 112 N -0.22 2.58 -2.27 -1.84 5.03 -1.26 -4.89 115.26 112.39 1a66 n ASN 112 Ca 0.46 -3.75 -0.21 0.00 0.87 0.00 0.00 54.58 51.94 1a66 n ASN 112 Cb 0.30 -0.65 -0.02 0.00 -1.02 0.00 0.00 39.78 38.38 1a66 n ASN 112 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1a66 n SER 113 N -1.11 -5.86 -4.11 6.41 7.64 -1.26 -2.61 113.62 112.71 1a66 n SER 113 Ca 0.35 0.07 -0.28 0.00 1.01 0.00 0.00 58.87 60.03 1a66 n SER 113 Cb 1.08 -4.93 -0.09 0.00 -1.01 0.00 0.00 64.21 59.26 1a66 n SER 113 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1a66 n MET 114 N -2.91 -0.95 -4.24 1.43 0.00 -1.26 -4.91 117.12 104.28 1a66 n MET 114 Ca -0.24 0.08 -0.28 0.00 0.00 0.00 0.00 57.70 57.26 1a66 n MET 114 Cb 0.69 -3.18 -0.09 0.00 0.00 0.00 0.00 33.22 30.64 1a66 n MET 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1a66 s ARG 115 N -6.89 2.19 -0.43 3.17 3.52 -1.07 -3.69 118.95 115.75 1a66 s ARG 115 Ca 0.00 -1.13 0.05 0.00 -0.13 0.00 0.00 55.73 54.53 1a66 s ARG 115 Cb -0.00 -2.27 0.17 0.00 -1.56 0.00 0.00 34.95 31.29 1a66 s ARG 115 CO 0.89 0.47 0.49 0.00 -0.81 0.00 0.00 175.30 176.34 1a66 s ALA 116 N -1.53 -0.52 0.32 6.12 0.00 -0.48 -4.84 121.76 120.84 1a66 s ALA 116 Ca 0.24 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.77 1a66 s ALA 116 Cb -0.10 -2.17 -0.10 0.00 0.00 0.00 0.00 23.12 20.76 1a66 s ALA 116 CO 0.16 -2.13 0.93 0.08 0.00 0.00 0.00 175.76 174.79 1a66 s VAL 117 N 0.86 4.25 -0.37 0.00 1.01 -1.26 -1.18 120.40 123.72 1a66 s VAL 117 Ca 0.26 1.76 -0.13 0.00 0.00 0.00 0.00 61.98 63.87 1a66 s VAL 117 Cb -0.04 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1a66 s VAL 117 CO -0.09 0.12 0.24 -0.63 0.00 0.00 0.00 175.10 174.74 1a66 s ILE 118 N -1.65 5.04 0.00 2.22 1.01 0.26 -4.50 121.20 123.58 1a66 s ILE 118 Ca 0.50 -0.53 0.10 0.00 0.00 0.00 0.00 60.65 60.73 1a66 s ILE 118 Cb -0.18 -3.70 0.17 0.00 0.01 0.00 0.00 42.46 38.76 1a66 s ILE 118 CO 0.23 -0.15 1.06 0.47 0.00 0.00 0.00 174.94 176.55 1a66 n ASP 119 N 5.09 -0.17 -1.14 3.58 8.00 -1.26 -4.14 116.55 126.51 1a66 n ASP 119 Ca -0.12 -1.98 -0.01 0.00 0.71 0.00 0.00 54.79 53.39 1a66 n ASP 119 Cb 0.48 0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 1a66 n ASP 119 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a66 s ALA 121 N 0.00 0.86 0.53 0.00 0.00 -1.26 -4.17 121.76 117.72 1a66 s ALA 121 Ca 0.14 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.00 1a66 s ALA 121 Cb 0.16 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.79 1a66 s ALA 121 CO -0.07 -0.11 0.72 0.20 0.00 0.00 0.00 175.76 176.50 1a66 s GLY 122 N 1.13 1.80 0.12 0.00 0.00 -1.26 -4.51 107.32 104.60 1a66 s GLY 122 Ca -0.07 -1.98 0.08 0.00 0.00 0.00 0.00 44.72 42.75 1a66 s GLY 122 CO -0.01 -1.61 -0.20 -1.50 0.00 0.00 0.00 173.10 169.78 1a66 s ILE 123 N -2.57 1.70 0.04 0.90 1.10 -1.26 -4.68 121.20 116.43 1a66 s ILE 123 Ca 0.60 -1.63 0.06 0.00 -0.51 0.00 0.00 60.65 59.16 1a66 s ILE 123 Cb -0.07 -1.60 -0.02 0.00 0.15 0.00 0.00 42.46 40.91 1a66 s ILE 123 CO 0.37 -0.14 -0.17 -0.22 -2.11 0.00 0.00 174.94 172.67 1a66 s LEU 124 N -2.10 2.17 0.26 8.50 0.20 -1.26 -2.81 118.68 123.64 1a66 s LEU 124 Ca 0.08 -0.48 -0.09 0.00 0.69 0.00 0.00 54.13 54.34 1a66 s LEU 124 Cb -0.09 -0.75 -0.07 0.00 -0.43 0.00 0.00 46.19 44.86 1a66 s LEU 124 CO 0.05 0.09 0.58 -0.75 -0.29 0.00 0.00 176.35 176.02 1a66 s LYS 125 N -1.13 3.77 -0.56 1.98 2.20 0.50 -4.68 119.74 121.83 1a66 s LYS 125 Ca 0.04 0.25 -0.18 0.00 -0.36 0.00 0.00 55.97 55.72 1a66 s LYS 125 Cb -0.08 -2.61 0.10 0.00 -1.51 0.00 0.00 37.83 33.72 1a66 s LYS 125 CO 0.01 0.25 0.64 -0.51 -0.36 0.00 0.00 175.35 175.39 1a66 s LEU 126 N -3.10 5.41 -0.72 5.43 2.01 -1.26 -4.69 118.68 121.77 1a66 s LEU 126 Ca 0.47 -1.36 -0.27 0.00 0.01 0.00 0.00 54.13 52.98 1a66 s LEU 126 Cb -0.11 -2.31 -0.14 0.00 0.01 0.00 0.00 46.19 43.64 1a66 s LEU 126 CO 0.24 -1.01 2.51 -1.14 1.01 0.00 0.00 176.35 177.96 1a66 n ARG 127 N 6.10 0.59 -0.11 1.70 0.63 -1.26 -4.78 116.66 119.53 1a66 n ARG 127 Ca -0.10 -0.07 -0.05 0.00 -0.92 0.00 0.00 57.85 56.71 1a66 n ARG 127 Cb 0.43 -2.67 0.01 0.00 0.45 0.00 0.00 32.46 30.68 1a66 n ARG 127 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1a66 h ASN 128 N 16.08 -0.50 -0.87 6.15 2.35 -1.95 -1.69 115.58 135.15 1a66 h ASN 128 Ca -0.14 0.13 0.23 0.00 -0.55 0.00 0.00 56.30 55.97 1a66 h ASN 128 Cb 1.26 0.29 -0.15 0.00 0.05 0.00 0.00 38.32 39.77 1a66 h ASN 128 CO 1.25 -0.18 0.15 0.77 -1.65 0.00 0.00 177.43 177.77 1a66 h SER 129 N -0.07 -0.16 0.47 5.81 4.64 -1.98 0.77 113.55 123.02 1a66 h SER 129 Ca 0.18 0.21 -0.15 0.00 -0.47 0.00 0.00 61.79 61.57 1a66 h SER 129 Cb 0.35 0.32 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1a66 h SER 129 CO -0.42 -0.20 -0.65 0.44 -0.87 0.00 0.00 176.83 175.12 1a66 h ASP 130 N 0.14 0.20 0.34 4.97 5.19 -1.74 -2.75 116.42 122.77 1a66 h ASP 130 Ca 0.53 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 1a66 h ASP 130 Cb 1.06 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1a66 h ASP 130 CO -0.71 0.79 0.00 -0.38 -3.12 0.00 0.00 179.24 175.83 1a66 n ILE 131 N -3.82 0.33 -0.08 0.35 2.08 0.25 0.20 119.36 118.67 1a66 n ILE 131 Ca -0.02 0.08 -0.21 0.00 0.56 0.00 0.00 62.75 63.16 1a66 n ILE 131 Cb 0.65 -0.75 -0.12 0.00 -0.75 0.00 0.00 39.64 38.67 1a66 n ILE 131 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1a66 h GLU 132 N 0.00 0.04 -0.00 0.38 5.08 -0.76 -3.37 114.58 115.94 1a66 h GLU 132 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1a66 h GLU 132 Cb 0.17 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1a66 h GLU 132 CO 0.00 1.04 -0.71 1.47 -1.00 0.00 0.00 179.01 179.80 1a66 n LEU 133 N -4.30 1.16 -2.69 1.33 -0.00 -1.19 -4.91 117.00 106.39 1a66 n LEU 133 Ca -0.31 -0.45 -0.38 0.00 -0.00 0.00 0.00 56.01 54.87 1a66 n LEU 133 Cb 0.73 -0.06 -0.07 0.00 -0.00 0.00 0.00 43.42 44.02 1a66 n LEU 133 CO 0.23 0.25 0.93 0.54 -0.00 0.00 0.00 177.39 179.34 1a66 n ARG 134 N -1.06 0.00 -1.71 1.47 1.74 0.13 -4.63 116.66 112.60 1a66 n ARG 134 Ca 0.06 0.00 -0.65 0.00 -0.77 0.00 0.00 57.85 56.49 1a66 n ARG 134 Cb 0.37 -0.91 -0.09 0.00 -1.02 0.00 0.00 32.46 30.80 1a66 n ARG 134 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1a66 n LYS 135 N 3.80 0.20 -3.61 5.56 5.02 -1.26 -1.39 118.16 126.49 1a66 n LYS 135 Ca 0.28 0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 56.41 1a66 n LYS 135 Cb -0.03 -1.61 0.04 0.00 -0.02 0.00 0.00 35.03 33.42 1a66 n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a66 n GLY 136 N 3.68 -0.74 3.29 0.72 0.00 -1.26 -5.00 105.19 105.86 1a66 n GLY 136 Ca 0.29 0.35 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 1a66 n GLY 136 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a66 s GLU 137 N -5.66 1.28 0.00 1.61 2.56 -0.49 -5.13 118.70 112.87 1a66 s GLU 137 Ca 0.28 -1.66 0.00 0.00 0.00 0.00 0.00 54.97 53.59 1a66 s GLU 137 Cb -0.08 -0.28 0.00 0.00 2.00 0.00 0.00 34.13 35.78 1a66 s GLU 137 CO 0.82 -0.22 0.00 2.41 -0.56 0.00 0.00 175.26 177.71 1a66 n THR 138 N -0.37 0.00 0.00 -1.70 -1.04 -1.26 -4.95 114.28 104.96 1a66 n THR 138 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1a66 n THR 138 Cb 0.65 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1a66 n THR 138 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1a66 n ASP 139 N 0.00 0.00 -0.99 8.00 2.03 -1.26 -4.88 116.55 119.45 1a66 n ASP 139 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 1a66 n ASP 139 Cb 0.00 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.57 1a66 n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a66 n ILE 140 N -0.54 0.42 -0.91 5.18 0.13 -1.26 -5.07 119.36 117.30 1a66 n ILE 140 Ca 0.00 -0.71 0.00 0.00 -1.10 0.00 0.00 62.75 60.94 1a66 n ILE 140 Cb 0.00 1.05 0.00 0.00 -0.84 0.00 0.00 39.64 39.85 1a66 n ILE 140 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1a66 n GLY 141 N 1.27 -4.02 0.08 4.50 0.00 -1.26 -3.85 105.19 101.91 1a66 n GLY 141 Ca 0.16 -0.83 0.10 0.00 0.00 0.00 0.00 46.02 45.45 1a66 n GLY 141 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a66 n ARG 142 N -0.60 0.11 -0.54 1.61 0.63 -1.26 -2.60 116.66 114.01 1a66 n ARG 142 Ca 0.00 0.36 0.04 0.00 -0.92 0.00 0.00 57.85 57.33 1a66 n ARG 142 Cb 0.00 -1.72 0.20 0.00 0.45 0.00 0.00 32.46 31.39 1a66 n ARG 142 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1a66 n LYS 143 N -1.93 1.76 -3.39 -0.14 5.02 -1.26 -4.81 118.16 113.41 1a66 n LYS 143 Ca 0.02 -3.06 -0.26 0.00 -2.02 0.00 0.00 58.31 52.99 1a66 n LYS 143 Cb 0.20 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 1a66 n LYS 143 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1a66 n ASN 144 N -1.11 1.97 -2.56 4.39 5.15 -1.07 -4.93 115.26 117.09 1a66 n ASN 144 Ca 0.23 -3.04 -0.35 0.00 -0.60 0.00 0.00 54.58 50.81 1a66 n ASN 144 Cb 0.81 -0.66 0.05 0.00 -0.53 0.00 0.00 39.78 39.46 1a66 n ASN 144 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1a66 n THR 145 N 1.36 3.41 -4.45 -0.44 -2.24 -1.26 -4.80 114.28 105.87 1a66 n THR 145 Ca 0.26 -3.80 -0.22 0.00 -2.27 0.00 0.00 64.05 58.02 1a66 n THR 145 Cb 0.45 -1.20 -0.16 0.00 -2.10 0.00 0.00 70.33 67.32 1a66 n THR 145 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a66 s ARG 146 N -3.89 1.23 0.50 -0.78 3.00 -1.26 -1.51 118.95 116.24 1a66 s ARG 146 Ca 0.57 -0.32 0.01 0.00 0.00 0.00 0.00 55.73 55.98 1a66 s ARG 146 Cb 0.46 -1.09 -0.00 0.00 0.00 0.00 0.00 34.95 34.31 1a66 s ARG 146 CO -0.19 0.06 0.03 1.33 0.00 0.00 0.00 175.30 176.53 1a66 n VAL 147 N 3.58 0.00 -4.13 3.52 0.24 -0.12 -2.46 118.33 118.97 1a66 n VAL 147 Ca -0.21 -2.44 -0.11 0.00 -2.04 0.00 0.00 64.34 59.54 1a66 n VAL 147 Cb 0.53 0.58 -0.10 0.00 -1.47 0.00 0.00 33.84 33.37 1a66 n VAL 147 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1a66 s ARG 148 N -3.80 0.71 -0.11 7.34 1.81 0.18 0.10 118.95 125.17 1a66 s ARG 148 Ca 0.05 -1.15 -0.03 0.00 -1.72 0.00 0.00 55.73 52.88 1a66 s ARG 148 Cb 0.00 -0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.30 1a66 s ARG 148 CO 0.03 -0.01 0.01 -0.51 -0.68 0.00 0.00 175.30 174.14 1a66 s LEU 149 N -2.60 3.58 -0.24 2.53 1.43 -1.25 -0.75 118.68 121.38 1a66 s LEU 149 Ca 0.05 0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1a66 s LEU 149 Cb 0.01 -1.84 0.07 0.00 0.03 0.00 0.00 46.19 44.46 1a66 s LEU 149 CO -0.04 0.32 -0.01 -0.69 0.23 0.00 0.00 176.35 176.16 1a66 s VAL 150 N -0.53 1.28 -0.29 -1.59 1.01 0.23 -0.86 120.40 119.64 1a66 s VAL 150 Ca 0.09 -1.16 -0.19 0.00 0.00 0.00 0.00 61.98 60.72 1a66 s VAL 150 Cb -0.12 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1a66 s VAL 150 CO 0.02 -0.22 0.56 -0.36 0.00 0.00 0.00 175.10 175.10 1a66 s PHE 151 N 1.49 3.23 -0.11 5.22 0.40 -0.15 -0.56 117.98 127.51 1a66 s PHE 151 Ca -0.02 0.53 0.03 0.00 -0.60 0.00 0.00 56.93 56.87 1a66 s PHE 151 Cb -0.18 -2.86 0.01 0.00 0.51 0.00 0.00 43.02 40.49 1a66 s PHE 151 CO -0.09 -0.41 -0.20 1.03 0.70 0.00 0.00 175.22 176.25 1a66 s ARG 152 N 2.44 2.70 0.17 0.44 0.52 -0.21 -0.92 118.95 124.10 1a66 s ARG 152 Ca 0.22 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 54.75 1a66 s ARG 152 Cb -0.15 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 1a66 s ARG 152 CO 0.11 0.07 0.01 0.08 0.02 0.00 0.00 175.30 175.60 1a66 s VAL 153 N 0.61 3.81 -0.24 3.52 1.01 -0.96 -1.14 120.40 127.01 1a66 s VAL 153 Ca -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 60.43 1a66 s VAL 153 Cb -0.17 -2.92 0.10 0.00 0.00 0.00 0.00 36.38 33.39 1a66 s VAL 153 CO 0.04 -0.11 0.19 -2.28 0.00 0.00 0.00 175.10 172.94 1a66 s HIS 154 N -1.73 -0.05 -0.02 5.22 5.04 -1.26 -1.43 115.29 121.05 1a66 s HIS 154 Ca 0.28 -0.28 0.03 0.00 -1.54 0.00 0.00 55.06 53.55 1a66 s HIS 154 Cb -0.09 -0.60 -0.00 0.00 0.04 0.00 0.00 32.58 31.92 1a66 s HIS 154 CO 0.19 -0.72 -0.12 0.54 -2.34 0.00 0.00 174.74 172.29 1a66 s VAL 155 N 2.23 1.01 -0.43 0.89 0.11 -0.53 -4.45 120.40 119.24 1a66 s VAL 155 Ca 0.07 -0.51 -0.29 0.00 -2.93 0.00 0.00 61.98 58.33 1a66 s VAL 155 Cb -0.15 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1a66 s VAL 155 CO -0.23 0.30 1.44 -2.16 -3.33 0.00 0.00 175.10 171.11 1a66 s PRO 156 N -0.01 3.52 0.11 1.54 0.04 -1.26 0.02 135.00 138.95 1a66 s PRO 156 Ca -0.00 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 61.67 1a66 s PRO 156 Cb -0.08 -4.05 -0.06 0.00 0.04 0.00 0.00 34.50 30.35 1a66 s PRO 156 CO 0.00 -1.64 0.84 -1.14 0.04 0.00 0.00 177.00 175.11 1a66 s GLN 157 N 5.07 4.61 -1.30 4.56 2.00 -1.24 -4.89 119.66 128.47 1a66 s GLN 157 Ca 0.61 1.25 -0.17 0.00 -2.00 0.00 0.00 55.36 55.05 1a66 s GLN 157 Cb -0.14 -3.34 0.02 0.00 0.80 0.00 0.00 33.01 30.35 1a66 s GLN 157 CO 0.32 0.35 1.99 -0.35 -0.50 0.00 0.00 175.29 177.10 1a66 n PRO 158 N 2.40 2.72 0.00 1.67 -0.04 -1.26 -4.19 135.00 136.29 1a66 n PRO 158 Ca -0.02 -2.75 0.00 0.00 -0.04 0.00 0.00 63.50 60.69 1a66 n PRO 158 Cb 0.49 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 1a66 n PRO 158 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a66 n SER 159 N 7.82 0.00 0.00 3.54 7.64 -1.26 -5.05 113.62 126.31 1a66 n SER 159 Ca 0.50 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1a66 n SER 159 Cb 0.42 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1a66 n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a66 n GLY 160 N -1.16 0.00 3.55 0.23 0.00 -1.26 -4.84 105.19 101.71 1a66 n GLY 160 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1a66 n GLY 160 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a66 s ARG 161 N 0.00 0.17 0.10 1.61 1.04 -1.26 -2.61 118.95 118.00 1a66 s ARG 161 Ca 0.00 0.33 -0.30 0.00 -1.04 0.00 0.00 55.73 54.72 1a66 s ARG 161 Cb 0.00 0.09 -0.06 0.00 -2.04 0.00 0.00 34.95 32.93 1a66 s ARG 161 CO 0.00 -0.04 1.20 0.99 -0.04 0.00 0.00 175.30 177.41 1a66 s THR 162 N 1.45 3.90 -0.89 4.99 2.01 -1.26 -3.69 115.64 122.15 1a66 s THR 162 Ca -0.06 1.42 -0.24 0.00 0.31 0.00 0.00 61.69 63.11 1a66 s THR 162 Cb -0.03 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.62 1a66 s THR 162 CO -0.13 0.14 1.35 -0.22 -0.69 0.00 0.00 174.62 175.08 1a66 s LEU 163 N 0.71 3.45 -0.00 4.42 1.98 0.10 -4.89 118.68 124.45 1a66 s LEU 163 Ca 0.57 -1.06 0.04 0.00 -2.89 0.00 0.00 54.13 50.80 1a66 s LEU 163 Cb -0.30 -2.55 -0.03 0.00 0.66 0.00 0.00 46.19 43.96 1a66 s LEU 163 CO 0.31 -1.62 -0.12 -0.94 -1.89 0.00 0.00 176.35 172.09 1a66 s SER 164 N 4.39 4.23 0.26 3.68 1.04 -1.26 -1.45 113.70 124.60 1a66 s SER 164 Ca 0.40 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.65 1a66 s SER 164 Cb -0.04 -0.89 -0.06 0.00 0.10 0.00 0.00 66.02 65.13 1a66 s SER 164 CO 0.01 0.30 -0.02 -0.76 0.98 0.00 0.00 173.24 173.74 1a66 s LEU 165 N -1.20 2.34 -0.37 2.42 1.43 -0.51 -4.91 118.68 117.88 1a66 s LEU 165 Ca 0.15 -1.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.09 1a66 s LEU 165 Cb -0.11 -0.47 0.18 0.00 0.03 0.00 0.00 46.19 45.83 1a66 s LEU 165 CO 0.05 -0.44 0.56 0.00 0.23 0.00 0.00 176.35 176.75 1a66 s GLN 166 N -3.80 0.70 0.33 1.70 0.00 -1.25 -2.26 119.66 115.08 1a66 s GLN 166 Ca 0.30 -0.16 0.07 0.00 -0.00 0.00 0.00 55.36 55.56 1a66 s GLN 166 Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 33.01 33.00 1a66 s GLN 166 CO 0.11 -1.15 0.36 0.08 0.00 0.00 0.00 175.29 174.69 1a66 s VAL 167 N 2.04 3.87 -0.09 3.63 1.01 -0.10 -4.91 120.40 125.85 1a66 s VAL 167 Ca 0.14 -1.21 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 1a66 s VAL 167 Cb -0.08 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1a66 s VAL 167 CO -0.12 -0.18 -0.06 0.00 0.00 0.00 0.00 175.10 174.74 1a66 s ALA 168 N -2.23 1.12 0.78 5.51 0.00 -1.26 -0.97 121.76 124.70 1a66 s ALA 168 Ca 0.42 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.88 1a66 s ALA 168 Cb -0.07 -0.81 0.09 0.00 0.00 0.00 0.00 23.12 22.32 1a66 s ALA 168 CO 0.28 -0.36 1.12 0.45 0.00 0.00 0.00 175.76 177.25 1a66 s SER 169 N 1.65 4.49 0.68 0.00 0.15 -0.04 -4.94 113.70 115.69 1a66 s SER 169 Ca 0.02 0.56 -0.17 0.00 0.70 0.00 0.00 55.95 57.07 1a66 s SER 169 Cb -0.13 -1.07 -0.05 0.00 -1.71 0.00 0.00 66.02 63.06 1a66 s SER 169 CO -0.06 -1.86 0.53 0.59 1.20 0.00 0.00 173.24 173.63 1a66 n ASN 170 N -3.19 -1.14 -4.64 5.45 3.02 -1.26 -3.94 115.26 109.57 1a66 n ASN 170 Ca 0.09 0.63 -0.43 0.00 -0.03 0.00 0.00 54.58 54.85 1a66 n ASN 170 Cb 0.61 -1.20 -0.02 0.00 -0.61 0.00 0.00 39.78 38.55 1a66 n ASN 170 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1a66 s PRO 171 N -2.56 4.01 0.22 3.52 0.04 -1.26 -4.17 135.00 134.80 1a66 s PRO 171 Ca 0.66 1.40 -0.32 0.00 0.04 0.00 0.00 61.00 62.79 1a66 s PRO 171 Cb -0.38 -3.85 -0.12 0.00 0.04 0.00 0.00 34.50 30.19 1a66 s PRO 171 CO 0.57 -1.00 1.67 -0.89 0.04 0.00 0.00 177.00 177.39 1a66 n ILE 172 N 5.96 0.27 -4.02 0.56 5.41 0.28 -4.56 119.36 123.26 1a66 n ILE 172 Ca 0.15 -0.07 -0.32 0.00 1.00 0.00 0.00 62.75 63.51 1a66 n ILE 172 Cb 0.46 -1.92 -0.15 0.00 -0.71 0.00 0.00 39.64 37.32 1a66 n ILE 172 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1a66 s GLU 173 N 0.70 1.90 -0.61 0.38 2.12 -0.38 -0.94 118.70 121.87 1a66 s GLU 173 Ca 0.73 -1.61 -0.02 0.00 0.36 0.00 0.00 54.97 54.42 1a66 s GLU 173 Cb -0.53 -3.10 0.29 0.00 0.26 0.00 0.00 34.13 31.06 1a66 s GLU 173 CO 0.37 -0.77 2.19 0.00 -0.54 0.00 0.00 175.26 176.51 1a66 s SER 175 N -0.77 3.63 0.08 0.00 0.01 -1.26 -4.95 113.70 110.44 1a66 s SER 175 Ca 0.54 -0.86 -0.16 0.00 1.31 0.00 0.00 55.95 56.78 1a66 s SER 175 Cb 0.41 -1.52 -0.13 0.00 0.21 0.00 0.00 66.02 64.99 1a66 s SER 175 CO -0.17 -0.06 1.34 -0.61 0.41 0.00 0.00 173.24 174.15 1a66 h GLN 176 N 7.91 0.65 -6.51 12.44 4.15 -1.96 -3.43 115.11 128.36 1a66 h GLN 176 Ca -0.37 -0.42 -0.53 0.00 0.77 0.00 0.00 58.65 58.09 1a66 h GLN 176 Cb 1.11 0.05 0.03 0.00 0.21 0.00 0.00 27.48 28.88 1a66 h GLN 176 CO 0.58 1.04 0.97 1.03 -1.93 0.00 0.00 178.83 180.53 1a66 s ARG 177 N -4.05 4.20 0.00 1.69 0.52 -1.26 -5.25 118.95 114.79 1a66 s ARG 177 Ca -0.12 2.36 0.30 0.00 -0.52 0.00 0.00 55.73 57.75 1a66 s ARG 177 Cb 0.08 -3.45 1.79 0.00 0.52 0.00 0.00 34.95 33.89 1a66 s ARG 177 CO 0.84 -0.70 2.12 -1.13 0.02 0.00 0.00 175.30 176.45