#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mu9 s ASP 2 N 0.00 2.43 -0.03 1.62 3.84 -1.26 -5.15 116.67 118.12 3mu9 s ASP 2 Ca 0.00 -1.19 -0.32 0.00 -0.00 0.00 0.00 52.55 51.04 3mu9 s ASP 2 Cb 0.00 -0.11 -0.10 0.00 -1.38 0.00 0.00 42.92 41.34 3mu9 s ASP 2 CO 0.00 -0.39 1.96 -2.65 -0.00 0.00 0.00 175.17 174.09 3mu9 n PRO 3 N -0.51 2.54 0.00 2.11 -0.02 -1.26 -5.07 135.00 132.79 3mu9 n PRO 3 Ca -0.06 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3mu9 n PRO 3 Cb 0.63 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3mu9 n PRO 3 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3mu9 n PRO 4 N 7.30 1.64 -3.64 0.52 -0.02 -1.26 -5.09 135.00 134.45 3mu9 n PRO 4 Ca 0.22 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.62 3mu9 n PRO 4 Cb 0.36 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.78 3mu9 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mu9 s ALA 5 N -2.31 -1.99 0.00 3.55 0.00 -1.26 -5.07 121.76 114.68 3mu9 s ALA 5 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.00 3mu9 s ALA 5 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3mu9 s ALA 5 CO 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 175.76 175.47 3mu9 n GLY 7 N 0.00 -1.54 2.58 0.00 0.00 -1.26 -5.00 105.19 99.97 3mu9 n GLY 7 Ca 0.00 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 3mu9 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mu9 n SER 8 N 0.92 6.36 -4.40 1.61 2.88 -1.26 -5.02 113.62 114.70 3mu9 n SER 8 Ca -0.00 -2.85 -0.31 0.00 -1.33 0.00 0.00 58.87 54.38 3mu9 n SER 8 Cb 0.34 -1.55 -0.14 0.00 -0.75 0.00 0.00 64.21 62.11 3mu9 n SER 8 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3mu9 s ILE 9 N 1.68 2.53 -0.30 2.46 1.01 -1.26 -4.45 121.20 122.87 3mu9 s ILE 9 Ca 0.54 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 3mu9 s ILE 9 Cb 0.15 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 3mu9 s ILE 9 CO -0.06 0.45 1.50 -0.69 0.00 0.00 0.00 174.94 176.13 3mu9 s VAL 10 N -0.79 3.84 0.55 2.92 1.01 0.14 -4.89 120.40 123.18 3mu9 s VAL 10 Ca 0.12 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.82 3mu9 s VAL 10 Cb -0.10 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3mu9 s VAL 10 CO 0.02 -0.47 1.26 -2.16 0.00 0.00 0.00 175.10 173.76 3mu9 s PRO 11 N 4.71 3.19 0.37 2.72 0.04 -1.26 -1.35 135.00 143.42 3mu9 s PRO 11 Ca 0.66 1.99 0.15 0.00 0.04 0.00 0.00 61.00 63.83 3mu9 s PRO 11 Cb -0.20 -2.16 1.01 0.00 0.04 0.00 0.00 34.50 33.19 3mu9 s PRO 11 CO 0.29 -1.07 1.75 0.00 0.04 0.00 0.00 177.00 178.01 3mu9 h ARG 12 N 1.36 0.46 0.00 4.56 3.08 -1.94 -0.07 114.38 121.83 3mu9 h ARG 12 Ca -0.50 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.46 3mu9 h ARG 12 Cb 1.29 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3mu9 h ARG 12 CO 0.57 0.30 -0.30 -0.09 -1.07 0.00 0.00 179.97 179.39 3mu9 h ARG 13 N 0.47 0.00 -0.17 0.04 2.43 -1.90 0.17 114.38 115.43 3mu9 h ARG 13 Ca 0.62 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.56 3mu9 h ARG 13 Cb 1.39 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.95 3mu9 h ARG 13 CO -0.37 0.30 -0.76 1.49 -1.51 0.00 0.00 179.97 179.12 3mu9 h GLU 14 N 0.00 0.81 -0.41 0.20 4.81 -1.37 -2.74 114.58 115.88 3mu9 h GLU 14 Ca -0.00 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 3mu9 h GLU 14 Cb 0.55 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3mu9 h GLU 14 CO 0.04 1.26 0.00 -2.67 -0.73 0.00 0.00 179.01 176.91 3mu9 n TRP 15 N -3.94 0.55 -3.50 0.92 4.27 -0.98 -4.94 117.44 109.81 3mu9 n TRP 15 Ca -0.07 -0.27 -0.23 0.00 -3.89 0.00 0.00 57.50 53.03 3mu9 n TRP 15 Cb 0.74 0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.74 3mu9 n TRP 15 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3mu9 n ARG 16 N 0.94 -2.17 -2.63 -2.67 1.74 -0.09 -4.66 116.66 107.12 3mu9 n ARG 16 Ca 0.17 0.65 -0.34 0.00 -0.77 0.00 0.00 57.85 57.57 3mu9 n ARG 16 Cb 0.44 -4.99 -0.05 0.00 -1.02 0.00 0.00 32.46 26.85 3mu9 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mu9 s ALA 17 N -3.45 2.93 0.60 7.54 0.00 0.41 -4.96 121.76 124.82 3mu9 s ALA 17 Ca 0.41 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 3mu9 s ALA 17 Cb -0.10 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3mu9 s ALA 17 CO 0.80 -0.17 1.08 -0.51 0.00 0.00 0.00 175.76 176.96 3mu9 s LEU 18 N -3.40 3.51 0.51 0.00 1.43 -1.26 -4.87 118.68 114.59 3mu9 s LEU 18 Ca 0.65 1.92 -0.23 0.00 -1.03 0.00 0.00 54.13 55.44 3mu9 s LEU 18 Cb -0.14 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.47 3mu9 s LEU 18 CO 0.18 -1.30 1.38 0.00 0.23 0.00 0.00 176.35 176.84 3mu9 s ALA 19 N -2.32 2.98 0.27 4.21 0.00 -1.26 -4.98 121.76 120.66 3mu9 s ALA 19 Ca 0.66 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.82 3mu9 s ALA 19 Cb -0.18 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.28 3mu9 s ALA 19 CO 0.36 -1.29 0.73 0.45 0.00 0.00 0.00 175.76 176.01 3mu9 s SER 20 N -0.80 6.91 0.00 0.00 0.15 -1.26 -4.91 113.70 113.79 3mu9 s SER 20 Ca 0.68 1.34 0.10 0.00 0.70 0.00 0.00 55.95 58.77 3mu9 s SER 20 Cb -0.41 -2.39 0.14 0.00 -1.71 0.00 0.00 66.02 61.64 3mu9 s SER 20 CO 0.51 -0.09 0.95 -0.62 1.20 0.00 0.00 173.24 175.18 3mu9 n GLU 21 N 0.17 1.14 -2.77 5.44 1.02 0.49 -5.01 120.64 121.12 3mu9 n GLU 21 Ca 0.01 -1.38 -0.37 0.00 -0.02 0.00 0.00 57.16 55.40 3mu9 n GLU 21 Cb 0.52 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.66 3mu9 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mu9 n ARG 23 N 0.40 2.78 -2.00 0.00 5.12 -1.26 -5.08 116.66 116.63 3mu9 n ARG 23 Ca 0.03 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 3mu9 n ARG 23 Cb 0.50 -0.26 -0.03 0.00 -1.16 0.00 0.00 32.46 31.51 3mu9 n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3mu9 s GLU 24 N -0.11 4.25 0.03 5.56 2.02 -1.26 -4.95 118.70 124.24 3mu9 s GLU 24 Ca 0.00 2.30 0.00 0.00 0.02 0.00 0.00 54.97 57.29 3mu9 s GLU 24 Cb 0.00 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 3mu9 s GLU 24 CO 0.00 -0.49 0.13 1.03 0.02 0.00 0.00 175.26 175.95 3mu9 s ARG 25 N 0.36 3.18 0.45 1.61 0.52 -1.26 -0.74 118.95 123.07 3mu9 s ARG 25 Ca 0.64 -0.50 -0.09 0.00 -0.52 0.00 0.00 55.73 55.27 3mu9 s ARG 25 Cb -0.42 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 3mu9 s ARG 25 CO 0.37 0.62 0.80 -0.51 0.02 0.00 0.00 175.30 176.60 3mu9 s LEU 26 N -2.14 3.71 -0.38 2.53 1.43 0.16 -4.61 118.68 119.39 3mu9 s LEU 26 Ca 0.28 1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 54.34 3mu9 s LEU 26 Cb -0.12 -4.00 0.02 0.00 0.03 0.00 0.00 46.19 42.11 3mu9 s LEU 26 CO 0.21 -0.50 0.24 -0.89 0.23 0.00 0.00 176.35 175.63 3mu9 s THR 27 N -2.56 4.90 0.20 5.49 2.01 -1.26 -4.86 115.64 119.55 3mu9 s THR 27 Ca 0.50 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 3mu9 s THR 27 Cb -0.10 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 3mu9 s THR 27 CO 0.38 -0.21 0.62 0.00 -0.69 0.00 0.00 174.62 174.72 3mu9 s ARG 28 N 1.62 4.04 -0.02 4.92 1.70 -1.26 -3.38 118.95 126.58 3mu9 s ARG 28 Ca 0.04 0.60 -0.30 0.00 -0.47 0.00 0.00 55.73 55.60 3mu9 s ARG 28 Cb -0.19 -2.83 -0.03 0.00 -0.57 0.00 0.00 34.95 31.34 3mu9 s ARG 28 CO 0.08 0.40 1.04 -1.25 -1.08 0.00 0.00 175.30 174.49 3mu9 s PRO 29 N -2.18 4.49 0.23 3.89 0.04 -1.25 -5.05 135.00 135.17 3mu9 s PRO 29 Ca 0.42 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 3mu9 s PRO 29 Cb -0.14 -3.47 -0.09 0.00 0.04 0.00 0.00 34.50 30.84 3mu9 s PRO 29 CO 0.20 -0.18 1.11 0.08 0.04 0.00 0.00 177.00 178.25 3mu9 s VAL 30 N 1.36 3.65 -0.01 -0.36 1.01 0.12 -4.49 120.40 121.67 3mu9 s VAL 30 Ca 0.53 1.52 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 3mu9 s VAL 30 Cb -0.22 -3.97 -0.28 0.00 0.00 0.00 0.00 36.38 31.91 3mu9 s VAL 30 CO 0.25 0.31 0.80 -0.09 0.00 0.00 0.00 175.10 176.37 3mu9 h ARG 31 N 4.50 0.25 -6.43 2.72 2.43 -1.88 -0.37 114.38 115.61 3mu9 h ARG 31 Ca -0.45 -0.43 -0.62 0.00 -0.81 0.00 0.00 59.98 57.67 3mu9 h ARG 31 Cb 1.21 0.16 -0.14 0.00 -0.42 0.00 0.00 29.97 30.78 3mu9 h ARG 31 CO 0.70 1.11 -0.71 0.71 -1.51 0.00 0.00 179.97 180.26 3mu9 s TYR 32 N -2.61 2.68 -0.07 2.20 1.51 -1.10 -0.84 117.35 119.11 3mu9 s TYR 32 Ca -0.10 -0.20 -0.00 0.00 -1.01 0.00 0.00 57.07 55.75 3mu9 s TYR 32 Cb 0.07 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 3mu9 s TYR 32 CO 0.85 0.51 -0.03 0.08 -1.11 0.00 0.00 175.55 175.84 3mu9 s VAL 33 N -1.69 0.57 -0.20 0.71 1.01 -0.20 -0.94 120.40 119.66 3mu9 s VAL 33 Ca 0.25 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3mu9 s VAL 33 Cb -0.09 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3mu9 s VAL 33 CO 0.16 0.27 -0.02 -0.69 0.00 0.00 0.00 175.10 174.81 3mu9 s VAL 34 N 1.54 3.71 -0.23 2.92 1.01 -0.14 0.02 120.40 129.22 3mu9 s VAL 34 Ca -0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 3mu9 s VAL 34 Cb -0.13 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3mu9 s VAL 34 CO -0.04 0.44 0.17 -0.69 0.00 0.00 0.00 175.10 174.98 3mu9 s VAL 35 N 1.04 5.36 0.40 2.92 1.01 0.11 -1.80 120.40 129.44 3mu9 s VAL 35 Ca 0.01 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3mu9 s VAL 35 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3mu9 s VAL 35 CO 0.01 0.35 0.11 -0.94 0.00 0.00 0.00 175.10 174.63 3mu9 s SER 36 N 0.96 2.77 0.07 3.32 1.04 -0.66 -0.81 113.70 120.39 3mu9 s SER 36 Ca 0.08 -1.62 0.05 0.00 0.48 0.00 0.00 55.95 54.94 3mu9 s SER 36 Cb -0.13 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 3mu9 s SER 36 CO 0.04 -0.87 -0.13 -1.38 0.98 0.00 0.00 173.24 171.87 3mu9 s HIS 37 N -3.22 1.17 -1.07 5.02 -3.43 -1.26 -1.50 115.29 111.01 3mu9 s HIS 37 Ca 0.25 -0.49 0.25 0.00 -0.80 0.00 0.00 55.06 54.27 3mu9 s HIS 37 Cb 0.04 -0.66 1.09 0.00 -1.43 0.00 0.00 32.58 31.62 3mu9 s HIS 37 CO 0.14 0.05 1.80 0.25 -2.00 0.00 0.00 174.74 174.98 3mu9 n THR 38 N 1.18 0.29 -0.69 -5.38 -2.24 -0.46 -4.86 114.28 102.12 3mu9 n THR 38 Ca -0.20 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3mu9 n THR 38 Cb 0.55 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 3mu9 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mu9 n ALA 39 N -1.46 0.00 -2.14 6.98 0.00 0.13 -4.86 120.51 119.15 3mu9 n ALA 39 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3mu9 n ALA 39 Cb 0.27 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3mu9 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mu9 n GLY 40 N -1.40 2.38 3.76 0.00 0.00 -1.08 -4.41 105.19 104.43 3mu9 n GLY 40 Ca 0.00 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 3mu9 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mu9 s SER 41 N -0.72 7.16 0.64 1.61 1.04 -1.26 -2.06 113.70 120.11 3mu9 s SER 41 Ca 0.00 2.20 0.02 0.00 0.48 0.00 0.00 55.95 58.65 3mu9 s SER 41 Cb 0.00 -2.62 0.09 0.00 0.10 0.00 0.00 66.02 63.59 3mu9 s SER 41 CO 0.00 -0.21 0.88 -1.38 0.98 0.00 0.00 173.24 173.51 3mu9 s HIS 42 N -1.28 1.92 -0.08 5.02 -0.00 -1.26 -3.72 115.29 115.89 3mu9 s HIS 42 Ca 0.47 -0.30 -0.14 0.00 -0.00 0.00 0.00 55.06 55.10 3mu9 s HIS 42 Cb -0.29 -2.76 0.03 0.00 -0.00 0.00 0.00 32.58 29.55 3mu9 s HIS 42 CO 0.38 -1.35 0.35 0.00 -0.00 0.00 0.00 174.74 174.12 3mu9 n ASP 44 N 2.20 1.35 -3.73 0.00 5.68 -1.26 -1.85 116.55 118.94 3mu9 n ASP 44 Ca -0.17 -2.93 -0.14 0.00 -0.50 0.00 0.00 54.79 51.06 3mu9 n ASP 44 Cb 0.57 -0.40 -0.08 0.00 -1.14 0.00 0.00 41.12 40.06 3mu9 n ASP 44 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3mu9 s THR 45 N -1.69 0.05 0.41 2.12 -4.23 -1.26 -4.47 115.64 106.55 3mu9 s THR 45 Ca 0.32 -0.38 0.07 0.00 -1.18 0.00 0.00 61.69 60.52 3mu9 s THR 45 Cb 0.33 -0.65 0.26 0.00 1.34 0.00 0.00 72.50 73.77 3mu9 s THR 45 CO -0.09 -0.21 2.05 -0.65 -0.54 0.00 0.00 174.62 175.18 3mu9 h PRO 46 N 3.89 0.53 0.01 3.99 0.11 -1.96 0.22 132.00 138.80 3mu9 h PRO 46 Ca -0.29 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 3mu9 h PRO 46 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3mu9 h PRO 46 CO 0.39 0.37 -0.01 0.00 -0.21 0.00 0.00 178.00 178.54 3mu9 h ALA 47 N 1.73 -0.01 -0.01 -0.75 0.00 -1.99 -2.01 119.26 116.22 3mu9 h ALA 47 Ca 0.15 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3mu9 h ALA 47 Cb -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3mu9 h ALA 47 CO -0.03 -0.41 -0.77 0.66 0.00 0.00 0.00 179.25 178.70 3mu9 h SER 48 N -0.21 0.10 0.84 0.00 4.64 -1.85 -2.94 113.55 114.14 3mu9 h SER 48 Ca -0.00 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 3mu9 h SER 48 Cb 0.21 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3mu9 h SER 48 CO 0.00 0.83 -0.70 0.00 -0.87 0.00 0.00 176.83 176.09 3mu9 h ALA 50 N 1.30 0.53 -0.40 0.00 0.00 -1.34 0.05 119.26 119.39 3mu9 h ALA 50 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 3mu9 h ALA 50 Cb 1.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3mu9 h ALA 50 CO 0.09 0.32 -0.22 0.37 0.00 0.00 0.00 179.25 179.82 3mu9 h GLN 51 N 0.52 0.86 -0.73 0.00 5.75 -1.39 -2.12 115.11 117.99 3mu9 h GLN 51 Ca 0.11 -0.38 -0.00 0.00 -0.15 0.00 0.00 58.65 58.22 3mu9 h GLN 51 Cb 0.50 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 3mu9 h GLN 51 CO 0.02 1.03 0.46 0.37 -2.65 0.00 0.00 178.83 178.06 3mu9 h GLN 52 N 0.67 0.99 -0.88 1.69 5.75 -0.71 0.34 115.11 122.96 3mu9 h GLN 52 Ca 0.09 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3mu9 h GLN 52 Cb 0.78 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.08 3mu9 h GLN 52 CO 0.06 0.68 0.50 0.00 -2.65 0.00 0.00 178.83 177.43 3mu9 h ALA 53 N 1.25 1.12 -0.57 3.38 0.00 -0.89 0.57 119.26 124.12 3mu9 h ALA 53 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3mu9 h ALA 53 Cb -0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 3mu9 h ALA 53 CO -0.05 0.60 0.30 0.37 0.00 0.00 0.00 179.25 180.47 3mu9 h GLN 54 N 1.21 0.80 -0.46 0.00 4.15 -0.53 0.10 115.11 120.39 3mu9 h GLN 54 Ca 0.31 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 3mu9 h GLN 54 Cb -0.01 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 3mu9 h GLN 54 CO -0.05 0.63 0.08 -0.91 -1.93 0.00 0.00 178.83 176.65 3mu9 h ASN 55 N 0.76 0.73 -0.38 -0.69 2.35 0.47 0.14 115.58 118.95 3mu9 h ASN 55 Ca 0.20 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3mu9 h ASN 55 Cb 0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3mu9 h ASN 55 CO -0.03 0.80 0.19 0.58 -1.65 0.00 0.00 177.43 177.32 3mu9 h VAL 56 N 0.63 1.16 -0.57 2.81 2.07 -0.68 -0.97 116.25 120.70 3mu9 h VAL 56 Ca 0.14 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 3mu9 h VAL 56 Cb 0.38 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3mu9 h VAL 56 CO 0.01 0.17 0.12 -0.61 0.02 0.00 0.00 177.57 177.28 3mu9 h GLN 57 N 0.49 0.89 -0.68 1.57 4.15 -0.77 -2.36 115.11 118.40 3mu9 h GLN 57 Ca 0.13 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.36 3mu9 h GLN 57 Cb 0.10 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3mu9 h GLN 57 CO -0.02 0.81 0.45 1.03 -1.93 0.00 0.00 178.83 179.17 3mu9 h SER 58 N 0.85 0.77 -0.16 -0.69 0.87 -0.21 0.18 113.55 115.17 3mu9 h SER 58 Ca 0.18 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3mu9 h SER 58 Cb 0.34 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3mu9 h SER 58 CO 0.00 0.56 0.11 0.22 -0.53 0.00 0.00 176.83 177.19 3mu9 h TYR 59 N 0.91 0.21 -0.45 2.24 3.20 -0.82 0.34 116.97 122.59 3mu9 h TYR 59 Ca 0.25 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.02 3mu9 h TYR 59 Cb -0.09 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3mu9 h TYR 59 CO -0.03 0.13 -0.13 0.45 -1.64 0.00 0.00 178.16 176.94 3mu9 h HIS 60 N 0.22 1.00 0.12 -3.82 3.86 -0.95 -0.46 115.15 115.12 3mu9 h HIS 60 Ca 0.06 -0.22 -0.20 0.00 -1.16 0.00 0.00 60.37 58.84 3mu9 h HIS 60 Cb -0.02 -0.24 0.01 0.00 1.06 0.00 0.00 27.41 28.22 3mu9 h HIS 60 CO -0.07 0.99 -0.95 0.28 0.86 0.00 0.00 177.93 179.04 3mu9 h VAL 61 N 0.72 1.38 0.13 2.45 2.07 -0.58 0.13 116.25 122.55 3mu9 h VAL 61 Ca 0.11 -2.48 -0.25 0.00 0.82 0.00 0.00 66.70 64.90 3mu9 h VAL 61 Cb 0.68 3.05 0.01 0.00 -1.52 0.00 0.00 31.29 33.51 3mu9 h VAL 61 CO 0.05 0.70 -1.23 0.03 0.02 0.00 0.00 177.57 177.14 3mu9 h ARG 62 N -0.40 0.27 0.03 1.57 -0.00 -0.45 -2.69 114.38 112.70 3mu9 h ARG 62 Ca -0.19 -0.46 -0.30 0.00 -0.50 0.00 0.00 59.98 58.54 3mu9 h ARG 62 Cb 1.64 0.17 -0.04 0.00 0.00 0.00 0.00 29.97 31.74 3mu9 h ARG 62 CO 0.11 1.22 -1.64 0.09 0.00 0.00 0.00 179.97 179.74 3mu9 n ASN 63 N -3.98 1.94 0.14 7.04 5.03 -0.71 -4.19 115.26 120.52 3mu9 n ASN 63 Ca -0.21 0.34 0.13 0.00 0.87 0.00 0.00 54.58 55.71 3mu9 n ASN 63 Cb 0.88 -0.90 0.31 0.00 -1.02 0.00 0.00 39.78 39.05 3mu9 n ASN 63 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3mu9 h LEU 64 N -0.72 0.00 0.92 3.41 3.38 -1.10 -3.48 115.31 117.72 3mu9 h LEU 64 Ca -0.42 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 3mu9 h LEU 64 Cb 1.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 3mu9 h LEU 64 CO -0.17 0.01 -0.18 0.61 0.09 0.00 0.00 178.44 178.80 3mu9 n GLY 65 N 1.25 0.21 3.90 0.83 0.00 -0.80 -4.95 105.19 105.63 3mu9 n GLY 65 Ca 0.05 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 3mu9 n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mu9 s TRP 66 N -2.35 3.44 0.32 1.61 0.51 0.40 -4.95 118.94 117.92 3mu9 s TRP 66 Ca 0.00 0.82 0.36 0.00 -2.12 0.00 0.00 56.10 55.16 3mu9 s TRP 66 Cb 0.00 -2.57 1.68 0.00 -0.81 0.00 0.00 33.47 31.78 3mu9 s TRP 66 CO 0.00 -0.59 2.11 0.00 -0.51 0.00 0.00 176.95 177.96 3mu9 s ASP 68 N -5.61 -0.05 0.41 0.00 2.15 -1.26 -0.38 116.67 111.93 3mu9 s ASP 68 Ca -0.01 -0.19 -0.25 0.00 0.43 0.00 0.00 52.55 52.53 3mu9 s ASP 68 Cb 0.11 0.19 -0.11 0.00 -0.30 0.00 0.00 42.92 42.81 3mu9 s ASP 68 CO 0.51 -0.36 1.10 0.55 -0.17 0.00 0.00 175.17 176.80 3mu9 n VAL 69 N -0.58 2.43 0.23 1.11 3.14 -1.26 -4.63 118.33 118.77 3mu9 n VAL 69 Ca -0.06 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 60.93 3mu9 n VAL 69 Cb 0.62 -1.28 0.45 0.00 -1.06 0.00 0.00 33.84 32.57 3mu9 n VAL 69 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3mu9 h GLY 70 N 1.77 0.00 -2.89 7.55 0.00 -1.92 -3.42 103.07 104.16 3mu9 h GLY 70 Ca -0.45 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.39 3mu9 h GLY 70 CO 0.58 0.00 0.11 -0.19 0.00 0.00 0.00 176.54 177.04 3mu9 s TYR 71 N -3.59 3.39 0.13 5.60 1.51 -1.26 -0.16 117.35 122.97 3mu9 s TYR 71 Ca 0.01 1.25 -0.03 0.00 -1.01 0.00 0.00 57.07 57.29 3mu9 s TYR 71 Cb 0.10 -2.56 -0.11 0.00 -0.11 0.00 0.00 41.96 39.28 3mu9 s TYR 71 CO 0.63 0.10 1.29 -0.91 -1.11 0.00 0.00 175.55 175.55 3mu9 h ASN 72 N 2.31 0.47 -5.00 2.29 4.21 -0.96 -1.71 115.58 117.19 3mu9 h ASN 72 Ca -0.48 -0.40 -0.11 0.00 1.21 0.00 0.00 56.30 56.52 3mu9 h ASN 72 Cb 1.18 -0.15 -0.19 0.00 -1.12 0.00 0.00 38.32 38.03 3mu9 h ASN 72 CO 0.65 1.21 -0.23 -0.36 -1.29 0.00 0.00 177.43 177.41 3mu9 s PHE 73 N -3.16 -0.21 0.03 1.19 0.40 -0.99 -0.99 117.98 114.26 3mu9 s PHE 73 Ca -0.05 0.29 0.09 0.00 -0.60 0.00 0.00 56.93 56.66 3mu9 s PHE 73 Cb 0.09 0.12 -0.03 0.00 0.51 0.00 0.00 43.02 43.71 3mu9 s PHE 73 CO 0.86 -0.43 -0.25 -0.51 0.70 0.00 0.00 175.22 175.60 3mu9 s LEU 74 N -1.42 2.24 -0.17 -0.37 1.02 -0.47 -1.35 118.68 118.16 3mu9 s LEU 74 Ca -0.12 -0.54 -0.03 0.00 0.02 0.00 0.00 54.13 53.46 3mu9 s LEU 74 Cb -0.04 -1.34 -0.02 0.00 0.02 0.00 0.00 46.19 44.81 3mu9 s LEU 74 CO 0.04 0.27 -0.05 -0.63 0.02 0.00 0.00 176.35 175.99 3mu9 s ILE 75 N -0.80 3.63 0.22 -0.59 -1.09 0.23 -0.05 121.20 122.75 3mu9 s ILE 75 Ca 0.12 -0.44 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 3mu9 s ILE 75 Cb -0.10 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 3mu9 s ILE 75 CO 0.02 0.48 0.39 -0.83 -1.23 0.00 0.00 174.94 173.76 3mu9 s GLY 76 N 0.65 1.59 0.00 6.18 0.00 -0.19 -1.37 107.32 114.18 3mu9 s GLY 76 Ca -0.03 -0.96 0.25 0.00 0.00 0.00 0.00 44.72 43.97 3mu9 s GLY 76 CO 0.02 -0.94 1.83 1.18 0.00 0.00 0.00 173.10 175.20 3mu9 n GLU 77 N -0.95 0.74 -0.05 2.90 1.02 -0.77 -1.75 120.64 121.77 3mu9 n GLU 77 Ca -0.06 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.19 3mu9 n GLU 77 Cb 0.55 -1.50 0.44 0.00 -0.02 0.00 0.00 31.44 30.91 3mu9 n GLU 77 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3mu9 n ASP 78 N -1.02 1.31 -0.02 1.62 5.75 -1.20 -4.68 116.55 118.31 3mu9 n ASP 78 Ca 0.18 -1.61 -0.00 0.00 -0.01 0.00 0.00 54.79 53.35 3mu9 n ASP 78 Cb 0.09 -0.07 -0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3mu9 n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mu9 n GLY 79 N 1.08 0.47 3.62 6.12 0.00 -0.72 -4.90 105.19 110.86 3mu9 n GLY 79 Ca 0.16 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3mu9 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mu9 s LEU 80 N -0.06 3.18 -0.14 0.99 1.43 -1.25 -4.62 118.68 118.20 3mu9 s LEU 80 Ca 0.00 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 3mu9 s LEU 80 Cb 0.00 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3mu9 s LEU 80 CO 0.00 0.13 0.08 -0.69 0.23 0.00 0.00 176.35 176.10 3mu9 s VAL 81 N -1.52 4.98 -0.15 -1.59 1.01 -1.26 -1.02 120.40 120.85 3mu9 s VAL 81 Ca 0.25 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 3mu9 s VAL 81 Cb -0.10 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3mu9 s VAL 81 CO 0.16 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.45 3mu9 s TYR 82 N -0.41 2.99 0.01 5.22 1.51 0.93 0.28 117.35 127.89 3mu9 s TYR 82 Ca 0.10 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 3mu9 s TYR 82 Cb -0.12 -1.93 -0.06 0.00 -0.11 0.00 0.00 41.96 39.74 3mu9 s TYR 82 CO 0.02 -0.04 1.54 -2.00 -1.11 0.00 0.00 175.55 173.97 3mu9 s GLU 83 N 0.28 4.23 0.00 -0.62 2.12 -0.46 -1.37 118.70 122.88 3mu9 s GLU 83 Ca -0.04 2.14 0.00 0.00 0.36 0.00 0.00 54.97 57.43 3mu9 s GLU 83 Cb -0.14 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.58 3mu9 s GLU 83 CO 0.03 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.47 3mu9 n GLY 84 N 3.87 0.89 0.14 -1.50 0.00 -0.16 -4.47 105.19 103.97 3mu9 n GLY 84 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3mu9 n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mu9 h ARG 85 N 0.00 0.00 0.00 1.61 3.08 -0.98 -3.47 114.38 114.62 3mu9 h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mu9 h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3mu9 h ARG 85 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3mu9 n GLY 86 N 0.43 -1.87 0.18 0.04 0.00 -0.21 -3.92 105.19 99.84 3mu9 n GLY 86 Ca 0.03 -1.43 0.07 0.00 0.00 0.00 0.00 46.02 44.69 3mu9 n GLY 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3mu9 h TRP 87 N 0.00 0.00 0.00 1.61 4.06 -1.94 -3.36 115.95 116.31 3mu9 h TRP 87 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3mu9 h TRP 87 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3mu9 h TRP 87 CO 0.00 0.32 -0.82 0.09 -3.56 0.00 0.00 178.44 174.47 3mu9 n ASN 88 N -3.28 0.82 -4.47 -3.49 3.02 -1.26 -4.79 115.26 101.82 3mu9 n ASN 88 Ca 0.01 -0.91 -0.33 0.00 -0.03 0.00 0.00 54.58 53.33 3mu9 n ASN 88 Cb 0.58 1.00 -0.13 0.00 -0.61 0.00 0.00 39.78 40.63 3mu9 n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mu9 s ILE 89 N -2.64 3.44 0.20 2.41 -1.09 -1.25 -0.66 121.20 121.61 3mu9 s ILE 89 Ca 0.06 -0.54 -0.31 0.00 -2.23 0.00 0.00 60.65 57.63 3mu9 s ILE 89 Cb 0.13 -2.45 -0.11 0.00 -1.58 0.00 0.00 42.46 38.46 3mu9 s ILE 89 CO 0.71 0.54 1.57 -0.75 -1.23 0.00 0.00 174.94 175.78 3mu9 s LYS 90 N -0.02 4.20 0.60 2.79 2.20 0.08 -4.69 119.74 124.89 3mu9 s LYS 90 Ca -0.01 2.42 -0.03 0.00 -0.36 0.00 0.00 55.97 57.99 3mu9 s LYS 90 Cb -0.14 -3.12 0.12 0.00 -1.51 0.00 0.00 37.83 33.19 3mu9 s LYS 90 CO 0.03 -0.60 0.82 0.41 -0.36 0.00 0.00 175.35 175.65 3mu9 n GLY 91 N 3.31 0.27 2.36 5.54 0.00 -1.26 -4.89 105.19 110.52 3mu9 n GLY 91 Ca 0.12 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 3mu9 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mu9 n ALA 92 N -3.07 3.03 -0.06 4.61 0.00 0.78 -4.81 120.51 120.99 3mu9 n ALA 92 Ca -0.13 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.50 3mu9 n ALA 92 Cb 0.45 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3mu9 n ALA 92 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3mu9 n HIS 93 N 1.61 0.00 -1.54 0.00 1.44 -1.26 -4.55 115.22 110.91 3mu9 n HIS 93 Ca 0.25 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.96 3mu9 n HIS 93 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 3mu9 n HIS 93 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mu9 n ALA 94 N -0.08 1.49 0.00 1.59 0.00 -1.26 -5.05 120.51 117.20 3mu9 n ALA 94 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3mu9 n ALA 94 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3mu9 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mu9 n GLY 95 N 0.00 -0.61 0.25 0.00 0.00 -1.26 -4.17 105.19 99.39 3mu9 n GLY 95 Ca 0.00 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.42 3mu9 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mu9 h PRO 96 N 0.00 0.00 0.23 1.61 0.13 -1.99 -1.57 132.00 130.41 3mu9 h PRO 96 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 3mu9 h PRO 96 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 3mu9 h PRO 96 CO 0.00 0.10 -1.51 1.15 -0.23 0.00 0.00 178.00 177.51 3mu9 h THR 97 N 0.00 1.25 0.00 1.56 2.02 -1.99 -3.40 112.91 112.35 3mu9 h THR 97 Ca -0.00 -2.72 -0.17 0.00 0.77 0.00 0.00 66.41 64.29 3mu9 h THR 97 Cb 0.69 2.98 -0.03 0.00 -1.74 0.00 0.00 68.15 70.05 3mu9 h THR 97 CO 0.01 0.83 -1.60 0.79 0.37 0.00 0.00 175.52 175.92 3mu9 n TRP 98 N -3.67 0.74 0.25 3.16 7.02 -1.07 -4.23 117.44 119.65 3mu9 n TRP 98 Ca -0.17 0.25 0.15 0.00 -1.02 0.00 0.00 57.50 56.70 3mu9 n TRP 98 Cb 1.09 -1.01 0.49 0.00 -2.42 0.00 0.00 31.31 29.46 3mu9 n TRP 98 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3mu9 h ASN 99 N 0.00 0.00 -0.46 -0.99 2.35 -1.50 -2.44 115.58 112.54 3mu9 h ASN 99 Ca -0.19 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3mu9 h ASN 99 Cb 1.59 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.94 3mu9 h ASN 99 CO 0.04 0.01 0.24 -0.65 -1.65 0.00 0.00 177.43 175.42 3mu9 h PRO 100 N 0.00 0.66 -0.36 0.81 0.11 -1.78 -3.33 132.00 128.11 3mu9 h PRO 100 Ca -0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3mu9 h PRO 100 Cb 0.70 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3mu9 h PRO 100 CO 0.00 0.54 0.00 0.44 -0.21 0.00 0.00 178.00 178.77 3mu9 n ILE 101 N -4.66 2.03 -4.13 4.15 -5.35 -1.08 -4.50 119.36 105.83 3mu9 n ILE 101 Ca 0.01 -1.57 -0.10 0.00 -0.27 0.00 0.00 62.75 60.82 3mu9 n ILE 101 Cb 0.10 -0.06 -0.09 0.00 -1.74 0.00 0.00 39.64 37.85 3mu9 n ILE 101 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3mu9 s SER 102 N -1.50 0.18 -0.15 7.28 1.04 -0.94 -2.71 113.70 116.91 3mu9 s SER 102 Ca 0.41 -1.20 -0.03 0.00 0.48 0.00 0.00 55.95 55.61 3mu9 s SER 102 Cb 0.30 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 3mu9 s SER 102 CO 0.13 -0.82 -0.06 -0.63 0.98 0.00 0.00 173.24 172.84 3mu9 s ILE 103 N -4.07 3.70 -0.26 -1.02 -1.09 -0.12 -4.74 121.20 113.59 3mu9 s ILE 103 Ca 0.28 -0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.19 3mu9 s ILE 103 Cb 0.06 -2.61 -0.03 0.00 -1.58 0.00 0.00 42.46 38.31 3mu9 s ILE 103 CO 0.05 0.50 0.10 -0.83 -1.23 0.00 0.00 174.94 173.53 3mu9 s GLY 104 N 0.37 1.80 -0.08 6.18 0.00 -1.26 -0.97 107.32 113.36 3mu9 s GLY 104 Ca -0.06 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.53 3mu9 s GLY 104 CO 0.04 0.57 -0.14 -0.26 0.00 0.00 0.00 173.10 173.31 3mu9 s ILE 105 N 1.63 3.02 -0.08 0.90 -4.36 -0.75 -0.31 121.20 121.26 3mu9 s ILE 105 Ca 0.06 -0.71 0.03 0.00 -0.26 0.00 0.00 60.65 59.76 3mu9 s ILE 105 Cb -0.15 -2.21 0.01 0.00 1.25 0.00 0.00 42.46 41.35 3mu9 s ILE 105 CO 0.05 0.57 -0.15 -0.55 0.24 0.00 0.00 174.94 175.10 3mu9 s SER 106 N -0.32 2.12 -0.06 4.36 0.15 -0.46 -1.65 113.70 117.84 3mu9 s SER 106 Ca 0.03 -0.37 -0.27 0.00 0.70 0.00 0.00 55.95 56.05 3mu9 s SER 106 Cb -0.13 -0.98 -0.03 0.00 -1.71 0.00 0.00 66.02 63.18 3mu9 s SER 106 CO 0.02 0.06 0.85 -0.36 1.20 0.00 0.00 173.24 175.01 3mu9 s PHE 107 N 0.62 3.58 -0.62 3.44 0.40 -0.56 -0.60 117.98 124.23 3mu9 s PHE 107 Ca -0.15 1.44 -0.28 0.00 -0.60 0.00 0.00 56.93 57.34 3mu9 s PHE 107 Cb -0.16 -2.98 0.03 0.00 0.51 0.00 0.00 43.02 40.41 3mu9 s PHE 107 CO 0.05 -0.03 1.24 -1.64 0.70 0.00 0.00 175.22 175.53 3mu9 s MET 108 N 1.20 3.41 0.00 0.44 -1.94 -0.47 -1.35 119.30 120.59 3mu9 s MET 108 Ca 0.44 0.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.55 3mu9 s MET 108 Cb -0.19 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.58 3mu9 s MET 108 CO 0.21 -1.83 0.00 0.41 -0.01 0.00 0.00 175.02 173.79 3mu9 n GLY 109 N 5.17 0.20 3.03 -0.03 0.00 -1.24 -4.05 105.19 108.26 3mu9 n GLY 109 Ca 0.07 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 3mu9 n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mu9 s ASN 110 N -4.00 3.37 -0.42 1.61 3.84 -0.88 0.20 114.94 118.67 3mu9 s ASN 110 Ca 0.00 -0.85 0.05 0.00 0.21 0.00 0.00 52.86 52.27 3mu9 s ASN 110 Cb 0.00 -1.31 0.57 0.00 -0.55 0.00 0.00 41.25 39.96 3mu9 s ASN 110 CO 0.00 -0.11 1.75 -1.22 -2.79 0.00 0.00 177.10 174.73 3mu9 n TYR 111 N 4.65 2.42 -0.03 0.43 4.02 -1.26 -4.40 117.16 122.98 3mu9 n TYR 111 Ca -0.16 -1.96 -0.15 0.00 -0.01 0.00 0.00 57.90 55.62 3mu9 n TYR 111 Cb 0.47 -0.84 -0.09 0.00 -0.02 0.00 0.00 39.34 38.86 3mu9 n TYR 111 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 176.86 176.37 3mu9 h MET 112 N 1.20 0.32 -0.38 -0.72 2.86 -1.85 -2.44 114.93 113.92 3mu9 h MET 112 Ca 0.48 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3mu9 h MET 112 Cb 2.11 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.82 3mu9 h MET 112 CO 0.92 0.89 0.00 0.09 1.06 0.00 0.00 176.91 179.87 3mu9 n ASN 113 N -4.45 4.32 -3.68 1.22 3.02 -1.26 -4.02 115.26 110.41 3mu9 n ASN 113 Ca -0.08 -2.83 -0.14 0.00 -0.03 0.00 0.00 54.58 51.49 3mu9 n ASN 113 Cb 0.48 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 39.02 3mu9 n ASN 113 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3mu9 s ARG 114 N -2.52 0.72 0.13 3.52 0.52 -1.26 -5.08 118.95 114.98 3mu9 s ARG 114 Ca 0.44 0.28 0.04 0.00 -0.52 0.00 0.00 55.73 55.97 3mu9 s ARG 114 Cb 0.34 0.34 -0.04 0.00 0.52 0.00 0.00 34.95 36.10 3mu9 s ARG 114 CO 0.13 -0.17 0.13 0.14 0.02 0.00 0.00 175.30 175.55 3mu9 s VAL 115 N -0.63 4.61 0.66 3.52 -7.23 -1.26 -4.37 120.40 115.70 3mu9 s VAL 115 Ca -0.07 -0.91 -0.14 0.00 -1.81 0.00 0.00 61.98 59.05 3mu9 s VAL 115 Cb -0.03 -3.31 -0.00 0.00 0.56 0.00 0.00 36.38 33.59 3mu9 s VAL 115 CO 0.04 -0.02 1.08 -2.16 -0.31 0.00 0.00 175.10 173.73 3mu9 s PRO 116 N -2.85 2.93 0.78 4.82 0.04 -1.26 -4.99 135.00 134.48 3mu9 s PRO 116 Ca 0.31 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 3mu9 s PRO 116 Cb -0.11 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.52 3mu9 s PRO 116 CO 0.24 -1.12 1.14 -1.25 0.04 0.00 0.00 177.00 176.05 3mu9 s PRO 117 N -4.36 1.95 0.42 0.56 0.04 -1.26 -4.78 135.00 127.57 3mu9 s PRO 117 Ca 0.63 1.48 0.20 0.00 0.04 0.00 0.00 61.00 63.34 3mu9 s PRO 117 Cb -0.17 -1.84 1.13 0.00 0.04 0.00 0.00 34.50 33.66 3mu9 s PRO 117 CO 0.44 -1.92 1.81 -1.35 0.04 0.00 0.00 177.00 176.02 3mu9 h PRO 118 N -0.93 0.36 0.00 0.56 0.11 -1.97 0.43 132.00 130.56 3mu9 h PRO 118 Ca -0.45 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3mu9 h PRO 118 Cb 1.26 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3mu9 h PRO 118 CO 0.48 0.24 -0.28 0.07 -0.21 0.00 0.00 178.00 178.30 3mu9 h ARG 119 N 0.37 0.00 0.05 1.05 0.11 -1.92 -0.16 114.38 113.88 3mu9 h ARG 119 Ca 0.54 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 60.35 3mu9 h ARG 119 Cb 1.42 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.53 3mu9 h ARG 119 CO -0.22 0.28 -1.07 0.00 0.10 0.00 0.00 179.97 179.05 3mu9 h ALA 120 N 1.72 0.06 -0.63 0.08 0.00 -1.13 -1.95 119.26 117.41 3mu9 h ALA 120 Ca -0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 3mu9 h ALA 120 Cb 0.69 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3mu9 h ALA 120 CO 0.04 0.64 0.11 -0.07 0.00 0.00 0.00 179.25 179.96 3mu9 h LEU 121 N 0.27 0.99 -0.72 0.00 3.38 -1.19 -1.72 115.31 116.33 3mu9 h LEU 121 Ca -0.15 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 3mu9 h LEU 121 Cb 1.75 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 3mu9 h LEU 121 CO 0.21 1.00 0.28 0.03 0.09 0.00 0.00 178.44 180.05 3mu9 h ARG 122 N 0.95 1.07 -0.47 1.13 3.08 -1.04 -1.52 114.38 117.59 3mu9 h ARG 122 Ca 0.19 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.06 3mu9 h ARG 122 Cb 0.42 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3mu9 h ARG 122 CO 0.01 0.89 0.28 0.00 -1.07 0.00 0.00 179.97 180.08 3mu9 h ALA 123 N 1.13 0.60 -0.05 0.04 0.00 -1.00 0.57 119.26 120.55 3mu9 h ALA 123 Ca 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3mu9 h ALA 123 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3mu9 h ALA 123 CO -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 179.25 179.22 3mu9 h ALA 124 N 1.21 0.06 -0.22 0.00 0.00 -1.06 -0.65 119.26 118.59 3mu9 h ALA 124 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3mu9 h ALA 124 Cb 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3mu9 h ALA 124 CO -0.09 -0.32 0.11 1.96 0.00 0.00 0.00 179.25 180.91 3mu9 h GLN 125 N -0.13 0.24 -0.62 0.00 1.08 -1.09 -1.36 115.11 113.22 3mu9 h GLN 125 Ca 0.02 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 3mu9 h GLN 125 Cb 0.22 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 3mu9 h GLN 125 CO -0.00 0.16 0.41 -0.97 -0.95 0.00 0.00 178.83 177.48 3mu9 h ASN 126 N 0.24 0.60 -0.41 1.46 -1.24 -0.85 -1.61 115.58 113.78 3mu9 h ASN 126 Ca 0.09 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 3mu9 h ASN 126 Cb 0.02 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 3mu9 h ASN 126 CO -0.06 0.41 0.04 0.25 -1.29 0.00 0.00 177.43 176.78 3mu9 h LEU 127 N 0.70 0.67 -0.50 0.34 5.85 -0.31 0.13 115.31 122.20 3mu9 h LEU 127 Ca 0.25 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 3mu9 h LEU 127 Cb 0.13 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3mu9 h LEU 127 CO -0.07 0.78 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.55 3mu9 h LEU 128 N 0.54 1.02 -0.57 2.25 3.38 -0.77 -1.28 115.31 119.88 3mu9 h LEU 128 Ca 0.12 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3mu9 h LEU 128 Cb 0.41 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3mu9 h LEU 128 CO 0.01 1.18 0.30 0.00 0.09 0.00 0.00 178.44 180.02 3mu9 h ALA 129 N 0.88 0.73 -0.61 1.53 0.00 -1.26 -1.43 119.26 119.10 3mu9 h ALA 129 Ca 0.12 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.03 3mu9 h ALA 129 Cb 0.76 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3mu9 h ALA 129 CO 0.06 0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.71 3mu9 h GLY 131 N 0.26 1.19 0.86 0.00 0.00 -0.64 -1.76 103.07 102.97 3mu9 h GLY 131 Ca 0.32 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3mu9 h GLY 131 CO -0.41 0.59 0.04 -2.08 0.00 0.00 0.00 176.54 174.68 3mu9 h VAL 132 N 1.08 1.22 -0.88 4.60 2.07 -0.93 0.01 116.25 123.43 3mu9 h VAL 132 Ca 0.25 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 67.14 3mu9 h VAL 132 Cb 0.18 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3mu9 h VAL 132 CO -0.02 0.23 0.57 0.00 0.02 0.00 0.00 177.57 178.36 3mu9 h ALA 133 N 0.86 1.64 0.00 1.67 0.00 -0.40 -0.89 119.26 122.13 3mu9 h ALA 133 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mu9 h ALA 133 Cb 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3mu9 h ALA 133 CO 0.00 0.19 -0.05 1.28 0.00 0.00 0.00 179.25 180.67 3mu9 n LEU 134 N -4.52 0.18 0.00 0.00 4.77 -0.73 -4.59 117.00 112.11 3mu9 n LEU 134 Ca 0.15 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3mu9 n LEU 134 Cb 0.30 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3mu9 n LEU 134 CO 0.31 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3mu9 n GLY 135 N 1.47 0.73 0.16 -0.72 0.00 -0.34 -4.92 105.19 101.57 3mu9 n GLY 135 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3mu9 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mu9 h ALA 136 N 0.00 0.61 -3.78 4.61 0.00 -1.24 -3.33 119.26 116.14 3mu9 h ALA 136 Ca 0.00 -0.62 -0.68 0.00 0.00 0.00 0.00 54.91 53.61 3mu9 h ALA 136 Cb 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 17.79 17.53 3mu9 h ALA 136 CO 0.00 0.79 -0.81 -0.51 0.00 0.00 0.00 179.25 178.72 3mu9 s LEU 137 N -7.83 2.65 0.44 0.00 1.43 -0.82 0.11 118.68 114.65 3mu9 s LEU 137 Ca -0.05 -0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 52.26 3mu9 s LEU 137 Cb 0.11 -1.51 -0.08 0.00 0.03 0.00 0.00 46.19 44.73 3mu9 s LEU 137 CO 0.83 0.19 1.21 -0.13 0.23 0.00 0.00 176.35 178.68 3mu9 s ARG 138 N -2.03 3.84 0.42 1.70 0.52 -0.15 -4.35 118.95 118.91 3mu9 s ARG 138 Ca 0.17 1.90 0.15 0.00 -0.52 0.00 0.00 55.73 57.43 3mu9 s ARG 138 Cb -0.10 -2.55 1.03 0.00 0.52 0.00 0.00 34.95 33.85 3mu9 s ARG 138 CO 0.09 -0.52 1.91 0.66 0.02 0.00 0.00 175.30 177.47 3mu9 h SER 139 N 2.31 0.42 -1.24 0.23 4.64 -1.91 -1.47 113.55 116.53 3mu9 h SER 139 Ca -0.49 0.02 -0.67 0.00 -0.47 0.00 0.00 61.79 60.19 3mu9 h SER 139 Cb 1.25 -0.06 -0.33 0.00 -0.31 0.00 0.00 62.40 62.95 3mu9 h SER 139 CO 0.61 0.21 0.41 -0.46 -0.87 0.00 0.00 176.83 176.74 3mu9 n ASN 140 N -4.49 6.80 -4.64 4.97 6.94 -1.26 -5.04 115.26 118.55 3mu9 n ASN 140 Ca 0.15 -3.79 -0.34 0.00 -0.02 0.00 0.00 54.58 50.58 3mu9 n ASN 140 Cb 0.53 -0.82 0.12 0.00 -2.36 0.00 0.00 39.78 37.25 3mu9 n ASN 140 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mu9 n TYR 141 N -0.74 0.82 -4.70 -2.53 0.18 -0.55 -4.99 117.16 104.64 3mu9 n TYR 141 Ca 0.55 0.39 -0.33 0.00 1.88 0.00 0.00 57.90 60.38 3mu9 n TYR 141 Cb 0.62 -2.07 -0.13 0.00 -0.38 0.00 0.00 39.34 37.38 3mu9 n TYR 141 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3mu9 s GLU 142 N -3.83 3.25 -0.17 -3.48 2.02 -0.02 -4.75 118.70 111.71 3mu9 s GLU 142 Ca 0.72 -0.63 -0.11 0.00 0.02 0.00 0.00 54.97 54.96 3mu9 s GLU 142 Cb -0.30 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 3mu9 s GLU 142 CO 0.52 0.33 0.20 0.08 0.02 0.00 0.00 175.26 176.42 3mu9 s VAL 143 N 0.06 5.37 0.12 2.63 1.01 0.61 -1.04 120.40 129.17 3mu9 s VAL 143 Ca -0.04 0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.39 3mu9 s VAL 143 Cb -0.14 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3mu9 s VAL 143 CO 0.04 0.44 -0.25 -0.54 0.00 0.00 0.00 175.10 174.79 3mu9 s LYS 144 N 0.21 1.34 0.27 2.72 -0.14 0.10 -2.02 119.74 122.23 3mu9 s LYS 144 Ca 0.12 -1.30 -0.12 0.00 -1.36 0.00 0.00 55.97 53.31 3mu9 s LYS 144 Cb -0.12 -1.78 -0.08 0.00 -1.68 0.00 0.00 37.83 34.17 3mu9 s LYS 144 CO 0.01 0.42 0.64 0.20 -0.76 0.00 0.00 175.35 175.86 3mu9 s GLY 145 N -2.01 2.31 0.27 -3.33 0.00 -1.26 -0.71 107.32 102.59 3mu9 s GLY 145 Ca 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 44.72 44.72 3mu9 s GLY 145 CO 0.05 0.05 1.79 0.84 0.00 0.00 0.00 173.10 175.84 3mu9 h HIS 146 N 2.43 0.93 0.00 1.90 2.76 -1.12 0.90 115.15 122.95 3mu9 h HIS 146 Ca -0.47 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3mu9 h HIS 146 Cb 1.17 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.85 3mu9 h HIS 146 CO 0.62 0.30 0.00 2.89 -1.30 0.00 0.00 177.93 180.44 3mu9 n ARG 147 N -4.76 0.03 0.02 5.26 1.85 -0.65 -1.39 116.66 117.02 3mu9 n ARG 147 Ca 0.18 0.30 0.13 0.00 -1.00 0.00 0.00 57.85 57.46 3mu9 n ARG 147 Cb 0.39 -1.57 0.48 0.00 -1.05 0.00 0.00 32.46 30.72 3mu9 n ARG 147 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3mu9 n ASP 148 N -1.63 0.25 0.00 2.89 8.00 0.31 -4.22 116.55 122.14 3mu9 n ASP 148 Ca 0.03 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.84 3mu9 n ASP 148 Cb 0.17 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 3mu9 n ASP 148 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3mu9 n VAL 149 N -1.62 0.00 -3.89 2.53 0.24 -0.78 -5.00 118.33 109.81 3mu9 n VAL 149 Ca 0.06 -0.15 -0.09 0.00 -2.04 0.00 0.00 64.34 62.12 3mu9 n VAL 149 Cb 0.35 0.90 -0.08 0.00 -1.47 0.00 0.00 33.84 33.54 3mu9 n VAL 149 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3mu9 s GLN 150 N -0.39 0.73 -0.44 7.34 -1.52 -0.49 -4.97 119.66 119.92 3mu9 s GLN 150 Ca 0.00 -0.85 -0.29 0.00 -1.95 0.00 0.00 55.36 52.27 3mu9 s GLN 150 Cb 0.00 0.29 0.03 0.00 -0.22 0.00 0.00 33.01 33.11 3mu9 s GLN 150 CO 0.00 -0.21 1.10 -1.25 -0.25 0.00 0.00 175.29 174.68 3mu9 s PRO 151 N -3.25 3.78 -0.12 2.91 0.04 -1.26 -4.14 135.00 132.95 3mu9 s PRO 151 Ca 0.00 0.63 -0.33 0.00 0.04 0.00 0.00 61.00 61.34 3mu9 s PRO 151 Cb 0.02 -3.87 0.13 0.00 0.04 0.00 0.00 34.50 30.82 3mu9 s PRO 151 CO -0.08 -1.26 1.20 -0.08 0.04 0.00 0.00 177.00 176.82 3mu9 s THR 152 N 4.20 0.00 -0.08 1.26 -1.32 -1.26 -5.01 115.64 113.44 3mu9 s THR 152 Ca 0.46 -0.08 0.13 0.00 -1.21 0.00 0.00 61.69 61.00 3mu9 s THR 152 Cb -0.09 -1.27 -0.07 0.00 -1.51 0.00 0.00 72.50 69.56 3mu9 s THR 152 CO 0.28 0.00 1.18 -0.07 -2.21 0.00 0.00 174.62 173.79 3mu9 h LEU 153 N 2.00 0.00 -9.29 9.08 3.38 -1.97 -3.40 115.31 115.11 3mu9 h LEU 153 Ca -0.16 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.19 3mu9 h LEU 153 Cb 1.18 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.05 3mu9 h LEU 153 CO 0.25 0.67 -0.25 -0.24 0.09 0.00 0.00 178.44 178.96 3mu9 n SER 154 N -3.15 -0.20 -1.25 -0.43 2.88 -1.26 -0.87 113.62 109.34 3mu9 n SER 154 Ca -0.03 1.07 -0.01 0.00 -1.33 0.00 0.00 58.87 58.57 3mu9 n SER 154 Cb 0.83 -1.13 0.15 0.00 -0.75 0.00 0.00 64.21 63.31 3mu9 n SER 154 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3mu9 n PRO 155 N 0.77 2.35 0.00 -1.46 -0.04 -1.26 -1.63 135.00 133.73 3mu9 n PRO 155 Ca 0.12 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 3mu9 n PRO 155 Cb 0.33 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 3mu9 n PRO 155 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mu9 n GLY 156 N 0.12 1.21 0.28 0.55 0.00 -0.05 -4.33 105.19 102.97 3mu9 n GLY 156 Ca 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3mu9 n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mu9 h ASP 157 N 0.00 -0.74 -0.20 1.61 3.32 -1.72 0.35 116.42 119.04 3mu9 h ASP 157 Ca 0.00 0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3mu9 h ASP 157 Cb 0.00 0.47 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3mu9 h ASP 157 CO 0.00 -0.25 0.05 0.03 -1.72 0.00 0.00 179.24 177.36 3mu9 h ARG 158 N -0.02 0.31 -0.37 3.56 2.47 -1.57 -0.10 114.38 118.66 3mu9 h ARG 158 Ca 0.33 -0.07 -0.12 0.00 -1.26 0.00 0.00 59.98 58.86 3mu9 h ARG 158 Cb 0.53 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 3mu9 h ARG 158 CO -0.74 0.43 -0.25 1.25 0.56 0.00 0.00 179.97 181.21 3mu9 h LEU 159 N 0.14 0.87 -0.87 3.04 5.85 -1.54 -2.65 115.31 120.15 3mu9 h LEU 159 Ca 0.06 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3mu9 h LEU 159 Cb 0.25 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3mu9 h LEU 159 CO -0.00 1.11 0.55 0.22 -0.34 0.00 0.00 178.44 179.99 3mu9 h TYR 160 N 0.63 1.03 -0.79 1.25 3.20 -0.16 -0.53 116.97 121.61 3mu9 h TYR 160 Ca 0.07 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3mu9 h TYR 160 Cb 0.82 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 3mu9 h TYR 160 CO 0.06 0.56 0.39 1.49 -1.64 0.00 0.00 178.16 179.02 3mu9 h GLU 161 N 1.04 1.13 0.26 1.82 4.81 -0.84 -2.42 114.58 120.38 3mu9 h GLU 161 Ca 0.36 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3mu9 h GLU 161 Cb 0.09 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3mu9 h GLU 161 CO -0.14 0.86 -0.13 0.82 -0.73 0.00 0.00 179.01 179.69 3mu9 h ILE 162 N 1.12 0.78 -0.15 2.32 2.04 -0.92 -3.21 117.51 119.49 3mu9 h ILE 162 Ca 0.27 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3mu9 h ILE 162 Cb 0.10 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3mu9 h ILE 162 CO -0.04 0.12 0.10 0.16 0.00 0.00 0.00 178.15 178.49 3mu9 h ILE 163 N -0.67 1.02 0.00 -0.67 3.07 -1.02 -0.23 117.51 119.01 3mu9 h ILE 163 Ca -0.04 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.31 3mu9 h ILE 163 Cb 0.47 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 3mu9 h ILE 163 CO 0.06 0.03 0.00 1.56 -1.05 0.00 0.00 178.15 178.75 3mu9 h GLN 164 N 0.17 0.00 0.00 0.16 4.20 -1.44 -0.95 115.11 117.25 3mu9 h GLN 164 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3mu9 h GLN 164 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3mu9 h GLN 164 CO -0.01 0.00 -0.62 0.25 -0.67 0.00 0.00 178.83 177.78 3mu9 n THR 165 N -2.43 0.24 -1.94 -0.54 -2.24 -0.10 -4.89 114.28 102.39 3mu9 n THR 165 Ca -0.01 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.18 3mu9 n THR 165 Cb 0.10 -0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.33 3mu9 n THR 165 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3mu9 s TRP 166 N -3.13 2.60 0.25 4.78 0.52 -0.36 -4.92 118.94 118.68 3mu9 s TRP 166 Ca 0.07 1.37 -0.04 0.00 0.02 0.00 0.00 56.10 57.53 3mu9 s TRP 166 Cb 0.15 -3.74 0.48 0.00 -1.15 0.00 0.00 33.47 29.20 3mu9 s TRP 166 CO 0.72 -2.45 1.73 1.03 0.02 0.00 0.00 176.95 177.99 3mu9 h SER 167 N 2.22 0.27 0.19 2.95 0.87 -1.93 -1.08 113.55 117.05 3mu9 h SER 167 Ca -0.50 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 3mu9 h SER 167 Cb 1.26 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 3mu9 h SER 167 CO 0.61 0.09 -0.07 1.41 -0.53 0.00 0.00 176.83 178.34 3mu9 n HIS 168 N -5.01 0.00 -2.07 2.24 8.25 -1.26 -4.89 115.22 112.47 3mu9 n HIS 168 Ca 0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.20 3mu9 n HIS 168 Cb 0.43 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 3mu9 n HIS 168 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3mu9 s TYR 169 N -2.26 2.99 -0.14 4.41 5.04 -0.41 -0.28 117.35 126.70 3mu9 s TYR 169 Ca 0.35 1.35 -0.03 0.00 -2.44 0.00 0.00 57.07 56.30 3mu9 s TYR 169 Cb 0.21 -3.73 0.05 0.00 0.35 0.00 0.00 41.96 38.83 3mu9 s TYR 169 CO 0.42 -2.06 0.04 0.50 -1.34 0.00 0.00 175.55 173.11 3mu9 s ARG 170 N -1.68 0.47 0.00 4.97 6.06 -0.85 -4.78 118.95 123.14 3mu9 s ARG 170 Ca 0.50 -0.13 0.00 0.00 -2.50 0.00 0.00 55.73 53.61 3mu9 s ARG 170 Cb -0.41 -1.58 0.00 0.00 0.06 0.00 0.00 34.95 33.03 3mu9 s ARG 170 CO 0.53 -0.52 0.00 0.00 -2.50 0.00 0.00 175.30 172.81