#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 0.58 0.11 4.31 3.84 -1.26 -5.16 116.67 119.09 3mu9 s ASP 2 Ca 0.00 0.31 -0.34 0.00 -0.00 0.00 0.00 52.55 52.52 3mu9 s ASP 2 Cb 0.00 0.23 -0.13 0.00 -1.38 0.00 0.00 42.92 41.64 3mu9 s ASP 2 CO 0.00 -0.22 1.67 -2.65 -0.00 0.00 0.00 175.17 173.96 3mu9 n PRO 3 N 5.08 2.24 -1.71 2.11 -0.02 -1.26 -5.00 135.00 136.44 3mu9 n PRO 3 Ca -0.09 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 3mu9 n PRO 3 Cb 0.50 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 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 4.28 2.44 -1.55 0.52 -0.02 -1.26 -4.98 135.00 134.44 3mu9 n PRO 4 Ca 0.18 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 62.24 3mu9 n PRO 4 Cb 0.30 -2.63 0.20 0.00 -0.02 0.00 0.00 33.50 31.35 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 0.40 1.52 1.13 3.55 0.00 -1.26 -5.01 121.76 122.11 3mu9 s ALA 5 Ca 0.70 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.45 3mu9 s ALA 5 Cb -0.57 -2.84 0.17 0.00 0.00 0.00 0.00 23.12 19.88 3mu9 s ALA 5 CO 0.43 -2.91 0.42 0.00 0.00 0.00 0.00 175.76 173.71 3mu9 n GLY 7 N 1.60 2.35 2.47 0.00 0.00 -1.26 -4.50 105.19 105.85 3mu9 n GLY 7 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3mu9 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mu9 n SER 8 N 0.00 -4.96 -4.75 1.61 7.64 -1.26 -4.75 113.62 107.14 3mu9 n SER 8 Ca 0.00 0.06 -0.41 0.00 1.01 0.00 0.00 58.87 59.53 3mu9 n SER 8 Cb 0.00 -4.15 -0.02 0.00 -1.01 0.00 0.00 64.21 59.02 3mu9 n SER 8 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3mu9 s ILE 9 N -2.85 2.69 -0.31 0.44 1.01 -1.26 -4.56 121.20 116.36 3mu9 s ILE 9 Ca 0.02 0.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 3mu9 s ILE 9 Cb -0.01 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 39.08 3mu9 s ILE 9 CO 0.03 0.12 1.05 -0.69 0.00 0.00 0.00 174.94 175.45 3mu9 s VAL 10 N -0.46 4.54 0.61 2.92 1.01 0.64 -4.92 120.40 124.74 3mu9 s VAL 10 Ca 0.55 1.73 -0.18 0.00 0.00 0.00 0.00 61.98 64.08 3mu9 s VAL 10 Cb -0.41 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 3mu9 s VAL 10 CO 0.47 -0.44 1.18 -2.84 0.00 0.00 0.00 175.10 173.47 3mu9 s PRO 11 N 3.56 2.92 0.29 2.72 0.02 -1.26 -0.73 135.00 142.52 3mu9 s PRO 11 Ca 0.44 1.71 0.03 0.00 0.02 0.00 0.00 61.00 63.21 3mu9 s PRO 11 Cb -0.13 -1.94 0.65 0.00 0.02 0.00 0.00 34.50 33.11 3mu9 s PRO 11 CO 0.14 -1.22 1.79 0.07 -0.33 0.00 0.00 177.00 177.45 3mu9 h ARG 12 N 0.67 0.80 0.00 5.54 0.11 -1.93 0.15 114.38 119.73 3mu9 h ARG 12 Ca -0.49 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 59.47 3mu9 h ARG 12 Cb 1.28 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 3mu9 h ARG 12 CO 0.55 0.53 -0.34 0.00 0.10 0.00 0.00 179.97 180.80 3mu9 h ARG 13 N 0.82 0.00 -0.27 0.08 3.08 -1.91 -1.25 114.38 114.93 3mu9 h ARG 13 Ca 0.54 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.53 3mu9 h ARG 13 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3mu9 h ARG 13 CO -0.34 0.34 -0.09 1.49 -1.07 0.00 0.00 179.97 180.30 3mu9 h GLU 14 N 0.00 0.44 -0.61 0.04 4.81 -1.05 -1.33 114.58 116.88 3mu9 h GLU 14 Ca -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3mu9 h GLU 14 Cb 0.69 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3mu9 h GLU 14 CO 0.04 0.54 0.00 -2.67 -0.73 0.00 0.00 179.01 176.20 3mu9 n TRP 15 N -4.24 1.08 -3.66 0.92 4.27 -0.91 -4.93 117.44 109.97 3mu9 n TRP 15 Ca 0.01 -0.43 -0.23 0.00 -3.89 0.00 0.00 57.50 52.95 3mu9 n TRP 15 Cb 0.29 -0.18 0.06 0.00 -1.36 0.00 0.00 31.31 30.11 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 0.79 -6.36 -2.21 -2.67 1.74 -0.50 -4.51 116.66 102.93 3mu9 n ARG 16 Ca 0.19 0.73 -0.38 0.00 -0.77 0.00 0.00 57.85 57.62 3mu9 n ARG 16 Cb 0.67 -5.62 -0.01 0.00 -1.02 0.00 0.00 32.46 26.48 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 -3.41 3.10 0.57 7.54 0.00 -0.52 -4.97 121.76 124.07 3mu9 s ALA 17 Ca 0.33 1.03 -0.19 0.00 0.00 0.00 0.00 51.96 53.13 3mu9 s ALA 17 Cb -0.16 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3mu9 s ALA 17 CO 0.77 -0.67 1.15 -0.51 0.00 0.00 0.00 175.76 176.50 3mu9 s LEU 18 N -2.70 3.68 0.45 0.00 1.43 -1.26 -4.83 118.68 115.46 3mu9 s LEU 18 Ca 0.60 2.21 -0.25 0.00 -1.03 0.00 0.00 54.13 55.67 3mu9 s LEU 18 Cb -0.32 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.24 3mu9 s LEU 18 CO 0.40 -1.38 1.35 0.00 0.23 0.00 0.00 176.35 176.95 3mu9 s ALA 19 N -1.79 3.14 0.35 4.21 0.00 -1.26 -4.98 121.76 121.43 3mu9 s ALA 19 Ca 0.73 1.31 -0.15 0.00 0.00 0.00 0.00 51.96 53.85 3mu9 s ALA 19 Cb -0.25 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.25 3mu9 s ALA 19 CO 0.30 -1.06 0.78 0.45 0.00 0.00 0.00 175.76 176.23 3mu9 s SER 20 N -0.75 6.77 0.00 0.00 0.15 -1.26 -4.92 113.70 113.69 3mu9 s SER 20 Ca 0.62 1.33 0.00 0.00 0.70 0.00 0.00 55.95 58.60 3mu9 s SER 20 Cb -0.40 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 3mu9 s SER 20 CO 0.50 -0.26 0.86 -0.62 1.20 0.00 0.00 173.24 174.92 3mu9 n GLU 21 N -0.53 1.94 -2.38 5.44 -0.58 -0.09 -5.04 120.64 119.40 3mu9 n GLU 21 Ca 0.04 -1.22 -0.36 0.00 -0.42 0.00 0.00 57.16 55.20 3mu9 n GLU 21 Cb 0.53 -0.97 -0.02 0.00 -0.57 0.00 0.00 31.44 30.41 3mu9 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mu9 n ARG 23 N -0.47 2.04 -1.67 0.00 1.74 -1.26 -5.06 116.66 111.98 3mu9 n ARG 23 Ca 0.07 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.70 3mu9 n ARG 23 Cb 0.49 -0.74 -0.04 0.00 -1.02 0.00 0.00 32.46 31.16 3mu9 n ARG 23 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3mu9 n GLU 24 N -1.16 2.54 -3.62 5.56 1.02 -1.26 -4.93 120.64 118.78 3mu9 n GLU 24 Ca 0.00 0.93 -0.34 0.00 -0.02 0.00 0.00 57.16 57.73 3mu9 n GLU 24 Cb 0.21 -2.83 -0.05 0.00 -0.02 0.00 0.00 31.44 28.75 3mu9 n GLU 24 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3mu9 s ARG 25 N 4.16 3.70 0.35 3.49 0.52 -1.26 -0.11 118.95 129.80 3mu9 s ARG 25 Ca 0.90 0.08 -0.10 0.00 -0.52 0.00 0.00 55.73 56.10 3mu9 s ARG 25 Cb -0.56 -2.97 -0.07 0.00 0.52 0.00 0.00 34.95 31.88 3mu9 s ARG 25 CO 0.46 0.54 0.69 -0.51 0.02 0.00 0.00 175.30 176.51 3mu9 s LEU 26 N -2.08 3.95 -0.36 2.53 1.43 0.11 -4.68 118.68 119.58 3mu9 s LEU 26 Ca 0.34 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.33 3mu9 s LEU 26 Cb -0.13 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 3mu9 s LEU 26 CO 0.19 -0.29 0.34 -0.89 0.23 0.00 0.00 176.35 175.93 3mu9 s THR 27 N -2.19 5.19 0.34 5.49 2.01 -1.26 -4.93 115.64 120.29 3mu9 s THR 27 Ca 0.50 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.32 3mu9 s THR 27 Cb -0.10 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 3mu9 s THR 27 CO 0.28 -0.13 0.64 0.00 -0.69 0.00 0.00 174.62 174.72 3mu9 s ARG 28 N 1.95 3.67 -0.09 4.92 1.70 -1.26 -3.60 118.95 126.23 3mu9 s ARG 28 Ca 0.10 0.16 -0.30 0.00 -0.47 0.00 0.00 55.73 55.22 3mu9 s ARG 28 Cb -0.17 -2.54 -0.02 0.00 -0.57 0.00 0.00 34.95 31.64 3mu9 s ARG 28 CO 0.12 0.10 1.17 -1.25 -1.08 0.00 0.00 175.30 174.35 3mu9 s PRO 29 N -3.76 4.35 0.30 3.89 0.04 -1.26 -5.08 135.00 133.48 3mu9 s PRO 29 Ca 0.46 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 3mu9 s PRO 29 Cb -0.10 -3.58 -0.10 0.00 0.04 0.00 0.00 34.50 30.75 3mu9 s PRO 29 CO 0.32 -0.46 1.39 0.08 0.04 0.00 0.00 177.00 178.36 3mu9 s VAL 30 N 2.38 2.61 0.01 -0.36 1.01 0.17 -4.39 120.40 121.82 3mu9 s VAL 30 Ca 0.54 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.09 3mu9 s VAL 30 Cb -0.23 -3.36 -0.26 0.00 0.00 0.00 0.00 36.38 32.53 3mu9 s VAL 30 CO 0.20 0.12 0.88 -0.09 0.00 0.00 0.00 175.10 176.20 3mu9 h ARG 31 N 4.04 0.18 -6.17 2.72 2.43 -1.88 -0.81 114.38 114.90 3mu9 h ARG 31 Ca -0.48 -0.31 -0.58 0.00 -0.81 0.00 0.00 59.98 57.80 3mu9 h ARG 31 Cb 1.22 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.77 3mu9 h ARG 31 CO 0.71 1.02 -0.69 0.71 -1.51 0.00 0.00 179.97 180.20 3mu9 s TYR 32 N -2.63 2.51 -0.06 2.20 1.51 -1.05 -0.83 117.35 119.00 3mu9 s TYR 32 Ca -0.07 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 3mu9 s TYR 32 Cb 0.07 -1.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 3mu9 s TYR 32 CO 0.84 0.63 -0.03 0.08 -1.11 0.00 0.00 175.55 175.97 3mu9 s VAL 33 N -2.44 0.49 -0.18 0.71 1.01 -0.22 -1.16 120.40 118.61 3mu9 s VAL 33 Ca 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 3mu9 s VAL 33 Cb -0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 3mu9 s VAL 33 CO 0.18 0.24 -0.06 -0.69 0.00 0.00 0.00 175.10 174.77 3mu9 s VAL 34 N 1.34 3.42 -0.20 2.92 1.01 -0.61 -0.21 120.40 128.07 3mu9 s VAL 34 Ca -0.04 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 3mu9 s VAL 34 Cb -0.13 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3mu9 s VAL 34 CO -0.02 0.47 0.20 -0.69 0.00 0.00 0.00 175.10 175.05 3mu9 s VAL 35 N 0.90 5.36 0.23 2.92 1.01 -0.15 -1.66 120.40 129.01 3mu9 s VAL 35 Ca -0.01 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.31 3mu9 s VAL 35 Cb -0.15 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3mu9 s VAL 35 CO 0.01 0.39 0.04 -0.94 0.00 0.00 0.00 175.10 174.60 3mu9 s SER 36 N 0.60 1.46 0.24 3.32 1.04 -0.32 -0.50 113.70 119.54 3mu9 s SER 36 Ca 0.11 -1.28 0.09 0.00 0.48 0.00 0.00 55.95 55.35 3mu9 s SER 36 Cb -0.12 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 3mu9 s SER 36 CO 0.02 -0.62 0.00 -1.38 0.98 0.00 0.00 173.24 172.24 3mu9 s HIS 37 N -3.60 2.74 -0.38 5.02 -3.43 -1.26 -0.81 115.29 113.56 3mu9 s HIS 37 Ca 0.31 -0.20 0.23 0.00 -0.80 0.00 0.00 55.06 54.60 3mu9 s HIS 37 Cb 0.07 -1.25 0.24 0.00 -1.43 0.00 0.00 32.58 30.21 3mu9 s HIS 37 CO 0.10 0.59 1.44 1.79 -2.00 0.00 0.00 174.74 176.66 3mu9 h THR 38 N 2.04 0.00 -0.58 -5.38 1.35 -1.04 -3.45 112.91 105.85 3mu9 h THR 38 Ca -0.45 -1.00 -0.25 0.00 -0.55 0.00 0.00 66.41 64.17 3mu9 h THR 38 Cb 1.24 1.85 -0.10 0.00 -1.73 0.00 0.00 68.15 69.41 3mu9 h THR 38 CO 0.59 0.00 -0.22 0.00 -0.25 0.00 0.00 175.52 175.64 3mu9 n ALA 39 N -2.12 -0.18 -2.89 6.62 0.00 0.22 -4.91 120.51 117.25 3mu9 n ALA 39 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3mu9 n ALA 39 Cb 0.54 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.51 5.04 3.77 0.00 0.00 -1.21 -4.72 105.19 106.55 3mu9 n GLY 40 Ca -0.12 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 3mu9 n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mu9 s SER 41 N -0.08 5.72 0.58 1.61 0.01 -1.26 -3.23 113.70 117.05 3mu9 s SER 41 Ca 0.00 2.34 0.08 0.00 1.31 0.00 0.00 55.95 59.69 3mu9 s SER 41 Cb 0.00 -2.60 0.09 0.00 0.21 0.00 0.00 66.02 63.72 3mu9 s SER 41 CO 0.00 -1.23 0.80 -1.38 0.41 0.00 0.00 173.24 171.84 3mu9 s HIS 42 N -1.59 1.54 -0.06 2.43 -0.00 -1.26 -3.76 115.29 112.58 3mu9 s HIS 42 Ca 0.70 -0.65 -0.25 0.00 -0.00 0.00 0.00 55.06 54.86 3mu9 s HIS 42 Cb -0.29 -2.30 0.05 0.00 -0.00 0.00 0.00 32.58 30.04 3mu9 s HIS 42 CO 0.34 -1.15 0.56 0.00 -0.00 0.00 0.00 174.74 174.48 3mu9 n ASP 44 N 1.27 1.10 -3.96 0.00 5.68 -1.26 -2.38 116.55 117.00 3mu9 n ASP 44 Ca -0.19 -2.56 -0.09 0.00 -0.50 0.00 0.00 54.79 51.44 3mu9 n ASP 44 Cb 0.57 -0.33 -0.10 0.00 -1.14 0.00 0.00 41.12 40.12 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 -1.29 0.13 0.23 2.12 -4.23 -1.26 -4.29 115.64 107.05 3mu9 s THR 45 Ca 0.19 -1.08 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 3mu9 s THR 45 Cb 0.19 -0.71 0.19 0.00 1.34 0.00 0.00 72.50 73.50 3mu9 s THR 45 CO -0.02 -0.59 1.76 -0.65 -0.54 0.00 0.00 174.62 174.58 3mu9 h PRO 46 N 3.99 0.54 -0.44 3.99 0.11 -1.97 0.69 132.00 138.91 3mu9 h PRO 46 Ca -0.32 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 3mu9 h PRO 46 Cb 1.19 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3mu9 h PRO 46 CO 0.48 0.35 0.25 0.00 -0.21 0.00 0.00 178.00 178.87 3mu9 h ALA 47 N 1.47 0.56 -0.03 -0.75 0.00 -1.99 -0.27 119.26 118.24 3mu9 h ALA 47 Ca 0.37 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 3mu9 h ALA 47 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3mu9 h ALA 47 CO -0.31 0.08 -0.77 0.66 0.00 0.00 0.00 179.25 178.91 3mu9 h SER 48 N 0.58 0.32 0.40 0.00 4.64 -1.85 -2.83 113.55 114.81 3mu9 h SER 48 Ca 0.16 -0.23 -0.18 0.00 -0.47 0.00 0.00 61.79 61.07 3mu9 h SER 48 Cb 0.04 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3mu9 h SER 48 CO -0.03 0.97 -0.78 0.00 -0.87 0.00 0.00 176.83 176.13 3mu9 h ALA 50 N 0.98 1.04 -0.56 0.00 0.00 -1.05 0.41 119.26 120.09 3mu9 h ALA 50 Ca -0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3mu9 h ALA 50 Cb 1.36 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3mu9 h ALA 50 CO 0.13 0.67 -0.04 0.37 0.00 0.00 0.00 179.25 180.38 3mu9 h GLN 51 N 1.17 0.99 -0.61 0.00 5.75 -1.25 -1.63 115.11 119.53 3mu9 h GLN 51 Ca 0.27 -0.32 -0.06 0.00 -0.15 0.00 0.00 58.65 58.39 3mu9 h GLN 51 Cb 0.23 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 3mu9 h GLN 51 CO -0.02 0.99 0.15 0.37 -2.65 0.00 0.00 178.83 177.68 3mu9 h GLN 52 N 0.90 0.97 -0.65 1.69 5.75 -0.42 0.12 115.11 123.47 3mu9 h GLN 52 Ca 0.16 -0.23 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3mu9 h GLN 52 Cb 0.57 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 3mu9 h GLN 52 CO 0.03 0.89 0.43 0.00 -2.65 0.00 0.00 178.83 177.53 3mu9 h ALA 53 N 1.04 0.83 -0.85 3.38 0.00 -0.72 0.95 119.26 123.90 3mu9 h ALA 53 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3mu9 h ALA 53 Cb 0.35 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3mu9 h ALA 53 CO 0.00 0.23 0.43 0.37 0.00 0.00 0.00 179.25 180.28 3mu9 h GLN 54 N 0.86 1.21 -0.35 0.00 4.15 -0.80 -1.54 115.11 118.64 3mu9 h GLN 54 Ca 0.24 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 3mu9 h GLN 54 Cb -0.08 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.38 3mu9 h GLN 54 CO -0.06 0.91 0.01 -0.91 -1.93 0.00 0.00 178.83 176.85 3mu9 h ASN 55 N 1.20 0.60 -0.26 -0.69 2.35 0.28 0.08 115.58 119.13 3mu9 h ASN 55 Ca 0.29 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3mu9 h ASN 55 Cb 0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3mu9 h ASN 55 CO -0.04 0.75 0.13 0.58 -1.65 0.00 0.00 177.43 177.20 3mu9 h VAL 56 N 0.42 1.14 -0.74 2.81 2.07 -0.65 -1.98 116.25 119.32 3mu9 h VAL 56 Ca 0.10 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3mu9 h VAL 56 Cb 0.44 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3mu9 h VAL 56 CO 0.02 0.14 0.34 -0.61 0.02 0.00 0.00 177.57 177.48 3mu9 h GLN 57 N 0.29 1.08 -0.67 1.57 4.15 -1.20 -2.16 115.11 118.17 3mu9 h GLN 57 Ca 0.09 -0.17 0.08 0.00 0.77 0.00 0.00 58.65 59.42 3mu9 h GLN 57 Cb 0.10 -0.19 -0.06 0.00 0.21 0.00 0.00 27.48 27.54 3mu9 h GLN 57 CO -0.01 0.86 0.35 1.03 -1.93 0.00 0.00 178.83 179.12 3mu9 h SER 58 N 1.05 0.48 -0.15 -0.69 0.87 -0.65 0.95 113.55 115.40 3mu9 h SER 58 Ca 0.25 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3mu9 h SER 58 Cb 0.14 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3mu9 h SER 58 CO -0.03 0.29 0.06 0.22 -0.53 0.00 0.00 176.83 176.84 3mu9 h TYR 59 N 0.62 0.24 -0.75 2.24 3.20 -0.98 0.71 116.97 122.25 3mu9 h TYR 59 Ca 0.32 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 3mu9 h TYR 59 Cb 0.28 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3mu9 h TYR 59 CO -0.10 0.33 0.33 0.45 -1.64 0.00 0.00 178.16 177.53 3mu9 h HIS 60 N 0.08 1.12 0.00 -3.82 3.86 -0.80 -0.80 115.15 114.78 3mu9 h HIS 60 Ca 0.05 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3mu9 h HIS 60 Cb 0.20 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.33 3mu9 h HIS 60 CO -0.01 0.84 -0.01 0.28 0.86 0.00 0.00 177.93 179.88 3mu9 h VAL 61 N 1.07 0.00 -0.10 2.45 2.07 -0.78 0.42 116.25 121.38 3mu9 h VAL 61 Ca 0.25 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 3mu9 h VAL 61 Cb 0.17 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3mu9 h VAL 61 CO -0.03 0.00 -0.36 0.03 0.02 0.00 0.00 177.57 177.24 3mu9 h ARG 62 N -0.83 0.21 0.00 1.57 3.08 -0.98 -2.31 114.38 115.12 3mu9 h ARG 62 Ca 0.00 -0.09 -0.41 0.00 0.07 0.00 0.00 59.98 59.56 3mu9 h ARG 62 Cb 0.01 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 3mu9 h ARG 62 CO 0.00 0.54 -2.36 0.09 -1.07 0.00 0.00 179.97 177.18 3mu9 n ASN 63 N -4.08 1.72 0.06 7.04 4.13 -0.42 -4.53 115.26 119.20 3mu9 n ASN 63 Ca -0.01 0.28 0.13 0.00 1.68 0.00 0.00 54.58 56.66 3mu9 n ASN 63 Cb 0.43 -0.70 0.41 0.00 -1.54 0.00 0.00 39.78 38.37 3mu9 n ASN 63 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3mu9 n LEU 64 N -4.06 0.57 -0.34 3.41 4.77 -0.55 -4.94 117.00 115.86 3mu9 n LEU 64 Ca -0.48 0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 55.91 3mu9 n LEU 64 Cb 0.84 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3mu9 n LEU 64 CO 0.03 -0.09 -0.04 0.61 -1.33 0.00 0.00 177.39 176.57 3mu9 n GLY 65 N 1.38 0.65 3.86 -0.72 0.00 -0.67 -4.97 105.19 104.71 3mu9 n GLY 65 Ca 0.06 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.16 3.51 -0.64 1.61 0.51 0.05 -4.95 118.94 116.87 3mu9 s TRP 66 Ca 0.00 1.32 0.21 0.00 -2.12 0.00 0.00 56.10 55.51 3mu9 s TRP 66 Cb 0.00 -2.76 0.87 0.00 -0.81 0.00 0.00 33.47 30.77 3mu9 s TRP 66 CO 0.00 -0.80 1.63 0.00 -0.51 0.00 0.00 176.95 177.27 3mu9 s ASP 68 N -3.86 -0.01 0.35 0.00 2.15 -1.26 -0.92 116.67 113.13 3mu9 s ASP 68 Ca 0.05 -0.05 -0.27 0.00 0.43 0.00 0.00 52.55 52.71 3mu9 s ASP 68 Cb 0.09 0.05 -0.12 0.00 -0.30 0.00 0.00 42.92 42.64 3mu9 s ASP 68 CO 0.35 -0.10 1.10 0.55 -0.17 0.00 0.00 175.17 176.90 3mu9 n VAL 69 N -0.63 2.16 0.19 1.11 3.14 -1.26 -4.66 118.33 118.38 3mu9 n VAL 69 Ca -0.05 -0.50 0.03 0.00 -2.96 0.00 0.00 64.34 60.86 3mu9 n VAL 69 Cb 0.62 -1.23 0.36 0.00 -1.06 0.00 0.00 33.84 32.53 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 1.99 0.00 -2.02 7.55 0.00 -1.92 -3.40 103.07 105.26 3mu9 h GLY 70 Ca -0.43 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.45 3mu9 h GLY 70 CO 0.60 0.00 0.34 -0.19 0.00 0.00 0.00 176.54 177.29 3mu9 s TYR 71 N -4.13 3.34 0.09 5.60 1.51 -1.26 -0.45 117.35 122.04 3mu9 s TYR 71 Ca -0.03 1.57 -0.12 0.00 -1.01 0.00 0.00 57.07 57.48 3mu9 s TYR 71 Cb 0.14 -2.83 -0.20 0.00 -0.11 0.00 0.00 41.96 38.96 3mu9 s TYR 71 CO 0.72 -0.16 1.21 -0.91 -1.11 0.00 0.00 175.55 175.31 3mu9 h ASN 72 N 1.71 0.84 -5.01 2.29 4.21 -0.79 -0.81 115.58 118.02 3mu9 h ASN 72 Ca -0.49 -0.67 -0.14 0.00 1.21 0.00 0.00 56.30 56.21 3mu9 h ASN 72 Cb 1.18 -0.26 -0.20 0.00 -1.12 0.00 0.00 38.32 37.93 3mu9 h ASN 72 CO 0.61 1.47 -0.49 -0.36 -1.29 0.00 0.00 177.43 177.38 3mu9 s PHE 73 N -3.30 0.07 0.11 1.19 0.40 -0.96 -0.83 117.98 114.67 3mu9 s PHE 73 Ca -0.09 -0.22 0.09 0.00 -0.60 0.00 0.00 56.93 56.12 3mu9 s PHE 73 Cb 0.07 -0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.50 3mu9 s PHE 73 CO 0.91 -0.32 -0.19 -0.51 0.70 0.00 0.00 175.22 175.81 3mu9 s LEU 74 N -1.59 2.63 -0.15 -0.37 1.02 -0.49 -1.59 118.68 118.15 3mu9 s LEU 74 Ca -0.12 -0.57 0.02 0.00 0.02 0.00 0.00 54.13 53.47 3mu9 s LEU 74 Cb -0.06 -1.50 0.01 0.00 0.02 0.00 0.00 46.19 44.66 3mu9 s LEU 74 CO -0.00 0.19 -0.20 -0.63 0.02 0.00 0.00 176.35 175.73 3mu9 s ILE 75 N -1.11 2.21 0.22 -0.59 -1.09 0.58 0.08 121.20 121.50 3mu9 s ILE 75 Ca 0.17 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.68 3mu9 s ILE 75 Cb -0.10 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 3mu9 s ILE 75 CO 0.09 0.54 0.39 -0.83 -1.23 0.00 0.00 174.94 173.90 3mu9 s GLY 76 N 0.94 1.58 0.00 6.18 0.00 -0.57 -0.83 107.32 114.62 3mu9 s GLY 76 Ca -0.04 -0.96 0.20 0.00 0.00 0.00 0.00 44.72 43.93 3mu9 s GLY 76 CO -0.04 -0.94 1.61 1.18 0.00 0.00 0.00 173.10 174.91 3mu9 n GLU 77 N -0.99 0.58 0.00 2.90 1.02 -1.00 -1.67 120.64 121.48 3mu9 n GLU 77 Ca -0.06 0.02 0.14 0.00 -0.02 0.00 0.00 57.16 57.24 3mu9 n GLU 77 Cb 0.55 -1.50 0.81 0.00 -0.02 0.00 0.00 31.44 31.28 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 -1.05 0.00 -0.06 1.62 5.75 -1.23 -4.72 116.55 116.86 3mu9 n ASP 78 Ca 0.14 -0.73 -0.01 0.00 -0.01 0.00 0.00 54.79 54.19 3mu9 n ASP 78 Cb 0.09 -0.06 -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 0.83 0.47 3.48 6.12 0.00 -0.67 -4.89 105.19 110.53 3mu9 n GLY 79 Ca 0.20 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.17 2.66 -0.18 0.99 1.43 -1.25 -4.63 118.68 117.54 3mu9 s LEU 80 Ca 0.00 -0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 3mu9 s LEU 80 Cb 0.00 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3mu9 s LEU 80 CO 0.00 0.14 0.11 -0.69 0.23 0.00 0.00 176.35 176.13 3mu9 s VAL 81 N -1.47 5.20 -0.21 -1.59 1.01 -1.26 -1.52 120.40 120.56 3mu9 s VAL 81 Ca 0.20 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 3mu9 s VAL 81 Cb -0.09 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 3mu9 s VAL 81 CO 0.11 0.48 0.18 -0.31 0.00 0.00 0.00 175.10 175.56 3mu9 s TYR 82 N 0.09 3.37 -0.02 5.22 1.51 0.11 -0.26 117.35 127.37 3mu9 s TYR 82 Ca 0.08 0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 56.17 3mu9 s TYR 82 Cb -0.12 -2.25 -0.06 0.00 -0.11 0.00 0.00 41.96 39.43 3mu9 s TYR 82 CO -0.00 0.17 1.52 -2.00 -1.11 0.00 0.00 175.55 174.13 3mu9 s GLU 83 N 0.72 4.23 0.00 -0.62 2.12 0.09 -1.39 118.70 123.84 3mu9 s GLU 83 Ca 0.09 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.50 3mu9 s GLU 83 Cb -0.12 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.54 3mu9 s GLU 83 CO 0.02 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 3mu9 n GLY 84 N 3.86 0.84 0.19 -1.50 0.00 -0.01 -4.42 105.19 104.16 3mu9 n GLY 84 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.73 -3.47 114.38 114.87 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 0.26 -1.94 0.14 0.04 0.00 -0.23 -4.08 105.19 99.38 3mu9 n GLY 86 Ca 0.02 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.95 -3.37 115.95 116.30 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 0.57 -0.73 0.09 -3.56 0.00 0.00 178.44 174.81 3mu9 n ASN 88 N -3.45 0.82 -4.58 -3.49 3.02 -1.26 -4.83 115.26 101.49 3mu9 n ASN 88 Ca 0.00 -0.91 -0.34 0.00 -0.03 0.00 0.00 54.58 53.30 3mu9 n ASN 88 Cb 0.67 0.96 -0.11 0.00 -0.61 0.00 0.00 39.78 40.70 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 -2.47 4.17 0.24 2.41 -1.09 -1.26 -0.71 121.20 122.48 3mu9 s ILE 89 Ca 0.07 -0.27 -0.31 0.00 -2.23 0.00 0.00 60.65 57.90 3mu9 s ILE 89 Cb 0.12 -2.82 -0.12 0.00 -1.58 0.00 0.00 42.46 38.07 3mu9 s ILE 89 CO 0.64 0.52 1.66 1.17 -1.23 0.00 0.00 174.94 177.70 3mu9 n LYS 90 N 3.12 2.68 -2.61 2.79 4.81 0.85 -4.71 118.16 125.10 3mu9 n LYS 90 Ca -0.18 0.96 -0.23 0.00 -0.87 0.00 0.00 58.31 57.99 3mu9 n LYS 90 Cb 0.53 -2.77 0.11 0.00 0.02 0.00 0.00 35.03 32.91 3mu9 n LYS 90 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3mu9 s GLY 91 N 0.89 1.76 -0.48 3.14 0.00 -1.26 -4.90 107.32 106.46 3mu9 s GLY 91 Ca 0.71 -1.77 0.03 0.00 0.00 0.00 0.00 44.72 43.69 3mu9 s GLY 91 CO 0.39 -1.20 0.31 0.00 0.00 0.00 0.00 173.10 172.60 3mu9 s ALA 92 N -3.14 2.25 0.00 3.20 0.00 0.40 -4.79 121.76 119.68 3mu9 s ALA 92 Ca 0.66 -2.77 0.00 0.00 0.00 0.00 0.00 51.96 49.85 3mu9 s ALA 92 Cb -0.05 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3mu9 s ALA 92 CO 0.44 -2.05 0.00 -2.39 0.00 0.00 0.00 175.76 171.76 3mu9 n HIS 93 N 3.10 0.00 -1.37 0.00 1.44 -1.26 -4.37 115.22 112.77 3mu9 n HIS 93 Ca 0.16 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.89 3mu9 n HIS 93 Cb 0.38 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.51 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 0.00 1.80 0.00 1.59 0.00 -1.26 -5.05 120.51 117.59 3mu9 n ALA 94 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.26 3mu9 n ALA 94 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.32 -0.30 0.31 0.00 0.00 -1.26 -4.11 105.19 99.50 3mu9 n GLY 95 Ca 0.03 -1.72 0.15 0.00 0.00 0.00 0.00 46.02 44.48 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 0.26 1.61 0.13 -1.99 0.02 132.00 132.03 3mu9 h PRO 96 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 3mu9 h PRO 96 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 3mu9 h PRO 96 CO 0.00 0.00 -1.50 1.15 -0.23 0.00 0.00 178.00 177.42 3mu9 h THR 97 N 0.00 1.26 0.00 1.56 2.02 -1.97 -3.40 112.91 112.38 3mu9 h THR 97 Ca 0.02 -2.69 -0.30 0.00 0.77 0.00 0.00 66.41 64.21 3mu9 h THR 97 Cb 0.12 3.03 -0.05 0.00 -1.74 0.00 0.00 68.15 69.52 3mu9 h THR 97 CO -0.00 0.81 -1.94 0.79 0.37 0.00 0.00 175.52 175.55 3mu9 n TRP 98 N -3.71 0.59 -0.18 3.16 7.02 -1.05 -4.18 117.44 119.08 3mu9 n TRP 98 Ca -0.17 0.21 0.13 0.00 -1.02 0.00 0.00 57.50 56.65 3mu9 n TRP 98 Cb 1.11 -1.08 0.46 0.00 -2.42 0.00 0.00 31.31 29.38 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 0.48 -0.89 -0.99 2.35 -1.20 -2.55 115.58 112.78 3mu9 h ASN 99 Ca -0.36 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.40 3mu9 h ASN 99 Cb 2.02 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 40.27 3mu9 h ASN 99 CO 0.05 0.26 0.51 -0.65 -1.65 0.00 0.00 177.43 175.96 3mu9 h PRO 100 N 0.52 1.22 -0.42 0.81 0.11 -1.77 -3.32 132.00 129.15 3mu9 h PRO 100 Ca 0.37 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3mu9 h PRO 100 Cb 0.72 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3mu9 h PRO 100 CO -0.13 0.87 0.00 0.44 -0.21 0.00 0.00 178.00 178.97 3mu9 n ILE 101 N -4.38 1.45 -4.18 4.15 -5.35 -1.08 -4.52 119.36 105.46 3mu9 n ILE 101 Ca 0.09 -1.24 -0.12 0.00 -0.27 0.00 0.00 62.75 61.22 3mu9 n ILE 101 Cb 0.08 0.26 -0.09 0.00 -1.74 0.00 0.00 39.64 38.14 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 -1.20 0.13 -0.23 7.28 1.04 -0.98 -2.53 113.70 117.21 3mu9 s SER 102 Ca 0.35 -1.34 -0.03 0.00 0.48 0.00 0.00 55.95 55.41 3mu9 s SER 102 Cb 0.22 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3mu9 s SER 102 CO 0.17 -0.88 -0.05 -0.63 0.98 0.00 0.00 173.24 172.84 3mu9 s ILE 103 N -4.14 3.20 -0.27 -1.02 -1.09 -0.31 -4.75 121.20 112.82 3mu9 s ILE 103 Ca 0.37 -0.65 -0.14 0.00 -2.23 0.00 0.00 60.65 58.00 3mu9 s ILE 103 Cb 0.06 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 3mu9 s ILE 103 CO 0.12 0.37 0.34 -0.83 -1.23 0.00 0.00 174.94 173.71 3mu9 s GLY 104 N 1.43 1.90 -0.06 6.18 0.00 -1.26 -1.58 107.32 113.94 3mu9 s GLY 104 Ca 0.04 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.96 3mu9 s GLY 104 CO -0.04 0.91 -0.16 -0.26 0.00 0.00 0.00 173.10 173.55 3mu9 s ILE 105 N 1.97 2.90 -0.07 0.90 -4.36 -0.66 -0.08 121.20 121.79 3mu9 s ILE 105 Ca 0.14 -0.78 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 3mu9 s ILE 105 Cb -0.16 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.44 3mu9 s ILE 105 CO 0.10 0.58 -0.07 -0.55 0.24 0.00 0.00 174.94 175.24 3mu9 s SER 106 N -0.55 1.57 -0.11 4.36 0.15 -0.62 -1.17 113.70 117.32 3mu9 s SER 106 Ca 0.08 -0.21 -0.30 0.00 0.70 0.00 0.00 55.95 56.22 3mu9 s SER 106 Cb -0.11 -0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 63.53 3mu9 s SER 106 CO 0.01 -0.06 1.02 -0.36 1.20 0.00 0.00 173.24 175.05 3mu9 s PHE 107 N 1.16 3.48 -0.74 3.44 0.40 0.01 -0.31 117.98 125.42 3mu9 s PHE 107 Ca -0.06 1.57 -0.27 0.00 -0.60 0.00 0.00 56.93 57.57 3mu9 s PHE 107 Cb -0.14 -3.21 0.02 0.00 0.51 0.00 0.00 43.02 40.20 3mu9 s PHE 107 CO -0.01 -0.30 1.39 -1.64 0.70 0.00 0.00 175.22 175.36 3mu9 s MET 108 N 2.11 3.11 0.00 0.44 -1.94 -0.01 -1.20 119.30 121.81 3mu9 s MET 108 Ca 0.48 -0.16 0.00 0.00 -1.71 0.00 0.00 55.69 54.31 3mu9 s MET 108 Cb -0.18 -4.30 0.00 0.00 2.01 0.00 0.00 34.83 32.36 3mu9 s MET 108 CO 0.17 -2.27 0.00 0.41 -0.01 0.00 0.00 175.02 173.33 3mu9 n GLY 109 N 5.55 -1.13 3.14 -0.03 0.00 -1.25 -4.13 105.19 107.34 3mu9 n GLY 109 Ca 0.08 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.86 3.63 -0.41 1.61 3.84 -1.20 -0.61 114.94 118.94 3mu9 s ASN 110 Ca 0.00 -0.77 0.05 0.00 0.21 0.00 0.00 52.86 52.35 3mu9 s ASN 110 Cb 0.00 -1.54 0.54 0.00 -0.55 0.00 0.00 41.25 39.70 3mu9 s ASN 110 CO 0.00 -0.05 1.68 -1.22 -2.79 0.00 0.00 177.10 174.72 3mu9 n TYR 111 N 4.62 2.24 -0.10 0.43 4.02 -1.26 -4.51 117.16 122.60 3mu9 n TYR 111 Ca -0.19 -2.01 -0.14 0.00 -0.01 0.00 0.00 57.90 55.56 3mu9 n TYR 111 Cb 0.48 -0.79 -0.03 0.00 -0.02 0.00 0.00 39.34 38.98 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 1.30 0.88 0.00 -0.72 2.86 -1.84 -0.83 114.93 116.58 3mu9 h MET 112 Ca 0.43 -0.49 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3mu9 h MET 112 Cb 1.87 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 33.46 3mu9 h MET 112 CO 0.86 1.13 -0.51 0.09 1.06 0.00 0.00 176.91 179.55 3mu9 n ASN 113 N -4.09 1.44 -3.51 1.22 4.13 -1.26 -3.83 115.26 109.35 3mu9 n ASN 113 Ca -0.03 -2.97 -0.14 0.00 1.68 0.00 0.00 54.58 53.12 3mu9 n ASN 113 Cb 0.55 -0.40 -0.04 0.00 -1.54 0.00 0.00 39.78 38.35 3mu9 n ASN 113 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mu9 s ARG 114 N -1.90 0.95 0.26 3.52 1.70 -1.26 -5.07 118.95 117.15 3mu9 s ARG 114 Ca 0.30 0.02 0.07 0.00 -0.47 0.00 0.00 55.73 55.64 3mu9 s ARG 114 Cb 0.30 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 35.09 3mu9 s ARG 114 CO -0.06 -0.34 0.23 0.14 -1.08 0.00 0.00 175.30 174.20 3mu9 s VAL 115 N -1.91 4.46 0.45 4.99 -7.23 -1.26 -4.43 120.40 115.46 3mu9 s VAL 115 Ca -0.04 -1.34 -0.22 0.00 -1.81 0.00 0.00 61.98 58.58 3mu9 s VAL 115 Cb -0.00 -3.44 -0.09 0.00 0.56 0.00 0.00 36.38 33.40 3mu9 s VAL 115 CO 0.01 -0.33 1.03 -2.84 -0.31 0.00 0.00 175.10 172.67 3mu9 s PRO 116 N -3.88 3.97 0.90 4.82 0.02 -1.26 -4.99 135.00 134.58 3mu9 s PRO 116 Ca 0.34 1.39 -0.11 0.00 0.02 0.00 0.00 61.00 62.64 3mu9 s PRO 116 Cb -0.08 -2.26 0.14 0.00 0.02 0.00 0.00 34.50 32.32 3mu9 s PRO 116 CO 0.26 -0.29 1.11 -1.25 -0.33 0.00 0.00 177.00 176.49 3mu9 s PRO 117 N -2.97 1.15 0.27 5.54 0.04 -1.26 -4.79 135.00 132.98 3mu9 s PRO 117 Ca 0.63 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.92 3mu9 s PRO 117 Cb -0.18 -1.76 0.59 0.00 0.04 0.00 0.00 34.50 33.19 3mu9 s PRO 117 CO 0.22 -2.44 1.74 -1.35 0.04 0.00 0.00 177.00 175.21 3mu9 h PRO 118 N -1.72 0.54 0.00 0.56 0.11 -1.97 -0.50 132.00 129.02 3mu9 h PRO 118 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3mu9 h PRO 118 Cb 1.27 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3mu9 h PRO 118 CO 0.47 0.36 -0.05 0.07 -0.21 0.00 0.00 178.00 178.64 3mu9 h ARG 119 N 0.55 0.00 -0.12 1.05 0.11 -1.93 0.25 114.38 114.30 3mu9 h ARG 119 Ca 0.49 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.37 3mu9 h ARG 119 Cb 0.78 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.87 3mu9 h ARG 119 CO -0.41 0.05 -0.70 0.00 0.10 0.00 0.00 179.97 179.00 3mu9 h ALA 120 N 1.95 0.24 -0.56 0.08 0.00 -1.33 -1.17 119.26 118.48 3mu9 h ALA 120 Ca -0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 3mu9 h ALA 120 Cb 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3mu9 h ALA 120 CO 0.01 0.57 -0.00 -0.07 0.00 0.00 0.00 179.25 179.75 3mu9 h LEU 121 N 0.36 0.94 -0.63 0.00 3.38 -0.91 -2.07 115.31 116.38 3mu9 h LEU 121 Ca -0.06 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3mu9 h LEU 121 Cb 1.35 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3mu9 h LEU 121 CO 0.14 1.00 0.20 0.03 0.09 0.00 0.00 178.44 179.91 3mu9 h ARG 122 N 0.89 0.98 -0.98 1.13 3.08 -0.51 -2.29 114.38 116.69 3mu9 h ARG 122 Ca 0.16 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3mu9 h ARG 122 Cb 0.53 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 3mu9 h ARG 122 CO 0.03 0.86 0.64 0.00 -1.07 0.00 0.00 179.97 180.43 3mu9 h ALA 123 N 1.07 1.25 -0.28 0.04 0.00 -0.87 0.30 119.26 120.77 3mu9 h ALA 123 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3mu9 h ALA 123 Cb 0.29 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3mu9 h ALA 123 CO -0.01 0.60 0.13 0.00 0.00 0.00 0.00 179.25 179.97 3mu9 h ALA 124 N 1.37 0.37 -0.52 0.00 0.00 -1.02 -1.14 119.26 118.32 3mu9 h ALA 124 Ca 0.36 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3mu9 h ALA 124 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3mu9 h ALA 124 CO -0.09 -0.06 0.11 1.96 0.00 0.00 0.00 179.25 181.17 3mu9 h GLN 125 N 0.32 0.84 -0.75 0.00 1.08 -1.01 -1.83 115.11 113.76 3mu9 h GLN 125 Ca 0.10 -0.21 0.08 0.00 -1.45 0.00 0.00 58.65 57.16 3mu9 h GLN 125 Cb 0.14 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.40 3mu9 h GLN 125 CO -0.01 0.82 0.42 -0.97 -0.95 0.00 0.00 178.83 178.14 3mu9 h ASN 126 N 0.73 0.61 -0.21 1.46 -0.73 -0.79 -0.29 115.58 116.35 3mu9 h ASN 126 Ca 0.16 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.36 3mu9 h ASN 126 Cb 0.36 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 3mu9 h ASN 126 CO 0.01 0.37 0.08 0.25 -0.37 0.00 0.00 177.43 177.77 3mu9 h LEU 127 N 0.74 0.30 -0.50 0.34 5.85 -0.81 -1.32 115.31 119.91 3mu9 h LEU 127 Ca 0.35 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 3mu9 h LEU 127 Cb 0.27 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3mu9 h LEU 127 CO -0.22 0.39 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.05 3mu9 h LEU 128 N 0.19 1.01 -1.51 2.25 3.38 -0.94 0.13 115.31 119.82 3mu9 h LEU 128 Ca 0.07 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.67 3mu9 h LEU 128 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3mu9 h LEU 128 CO -0.00 1.16 0.34 0.00 0.09 0.00 0.00 178.44 180.02 3mu9 h ALA 129 N 0.89 1.65 -0.49 1.53 0.00 -1.01 0.30 119.26 122.13 3mu9 h ALA 129 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3mu9 h ALA 129 Cb 0.73 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3mu9 h ALA 129 CO 0.06 0.32 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 3mu9 h GLY 131 N 0.76 1.45 0.72 0.00 0.00 0.13 -1.44 103.07 104.69 3mu9 h GLY 131 Ca 0.13 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 3mu9 h GLY 131 CO 0.04 0.43 -0.03 -2.08 0.00 0.00 0.00 176.54 174.90 3mu9 h VAL 132 N 1.26 1.14 -0.44 4.60 2.07 -1.05 -0.69 116.25 123.13 3mu9 h VAL 132 Ca 0.39 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.39 3mu9 h VAL 132 Cb -0.00 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3mu9 h VAL 132 CO -0.12 0.16 0.31 0.00 0.02 0.00 0.00 177.57 177.94 3mu9 h ALA 133 N 0.58 2.27 0.00 1.67 0.00 -1.05 0.48 119.26 123.21 3mu9 h ALA 133 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3mu9 h ALA 133 Cb 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3mu9 h ALA 133 CO 0.01 -0.39 -0.43 -0.07 0.00 0.00 0.00 179.25 178.37 3mu9 h LEU 134 N 0.11 0.00 0.00 0.00 3.38 -0.96 -3.47 115.31 114.37 3mu9 h LEU 134 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3mu9 h LEU 134 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3mu9 h LEU 134 CO -0.02 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.55 3mu9 n GLY 135 N 1.09 0.76 0.18 0.83 0.00 0.16 -4.94 105.19 103.27 3mu9 n GLY 135 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 0.21 -3.91 4.61 0.00 -1.37 -3.35 119.26 115.45 3mu9 h ALA 136 Ca 0.00 -0.72 -0.68 0.00 0.00 0.00 0.00 54.91 53.51 3mu9 h ALA 136 Cb 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 17.79 17.61 3mu9 h ALA 136 CO 0.00 0.75 -0.79 -0.51 0.00 0.00 0.00 179.25 178.70 3mu9 s LEU 137 N -7.90 2.69 0.48 0.00 1.43 -0.94 0.42 118.68 114.86 3mu9 s LEU 137 Ca -0.08 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.42 3mu9 s LEU 137 Cb 0.08 -1.56 -0.08 0.00 0.03 0.00 0.00 46.19 44.65 3mu9 s LEU 137 CO 0.90 0.25 1.06 0.00 0.23 0.00 0.00 176.35 178.79 3mu9 s ARG 138 N -1.49 3.77 0.27 1.70 1.70 -0.31 -4.16 118.95 120.43 3mu9 s ARG 138 Ca 0.15 1.43 -0.02 0.00 -0.47 0.00 0.00 55.73 56.83 3mu9 s ARG 138 Cb -0.11 -2.14 0.60 0.00 -0.57 0.00 0.00 34.95 32.73 3mu9 s ARG 138 CO 0.06 -0.47 1.64 0.66 -1.08 0.00 0.00 175.30 176.11 3mu9 h SER 139 N 1.62 -0.15 -1.35 -2.89 4.64 -1.92 -0.36 113.55 113.14 3mu9 h SER 139 Ca -0.49 0.20 -0.62 0.00 -0.47 0.00 0.00 61.79 60.40 3mu9 h SER 139 Cb 1.23 0.30 -0.23 0.00 -0.31 0.00 0.00 62.40 63.39 3mu9 h SER 139 CO 0.59 -0.17 0.77 -0.46 -0.87 0.00 0.00 176.83 176.69 3mu9 n ASN 140 N -5.28 7.16 -4.72 4.97 6.94 -1.26 -5.00 115.26 118.06 3mu9 n ASN 140 Ca 0.18 -3.56 -0.34 0.00 -0.02 0.00 0.00 54.58 50.84 3mu9 n ASN 140 Cb 0.60 -1.09 0.09 0.00 -2.36 0.00 0.00 39.78 37.02 3mu9 n ASN 140 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3mu9 s TYR 141 N -3.11 2.07 -0.12 -2.53 -0.85 -0.15 -5.01 117.35 107.65 3mu9 s TYR 141 Ca 0.54 1.61 -0.00 0.00 -0.52 0.00 0.00 57.07 58.70 3mu9 s TYR 141 Cb 0.42 -3.44 -0.02 0.00 0.38 0.00 0.00 41.96 39.30 3mu9 s TYR 141 CO -0.23 -2.55 -0.12 -1.21 -1.52 0.00 0.00 175.55 169.93 3mu9 s GLU 142 N -3.99 3.31 -0.15 -3.49 2.02 -0.01 -4.80 118.70 111.59 3mu9 s GLU 142 Ca 0.73 -0.65 -0.11 0.00 0.02 0.00 0.00 54.97 54.96 3mu9 s GLU 142 Cb -0.28 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 3mu9 s GLU 142 CO 0.46 0.28 0.21 0.08 0.02 0.00 0.00 175.26 176.31 3mu9 s VAL 143 N 0.18 5.37 0.13 2.63 1.01 0.43 -1.06 120.40 129.09 3mu9 s VAL 143 Ca -0.06 0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.36 3mu9 s VAL 143 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3mu9 s VAL 143 CO 0.05 0.48 -0.18 -0.54 0.00 0.00 0.00 175.10 174.91 3mu9 s LYS 144 N -0.07 1.13 0.19 2.72 -0.14 0.70 -1.68 119.74 122.59 3mu9 s LYS 144 Ca 0.14 -1.26 -0.14 0.00 -1.36 0.00 0.00 55.97 53.35 3mu9 s LYS 144 Cb -0.12 -1.21 -0.07 0.00 -1.68 0.00 0.00 37.83 34.74 3mu9 s LYS 144 CO 0.03 0.26 0.59 0.20 -0.76 0.00 0.00 175.35 175.67 3mu9 s GLY 145 N -2.31 2.43 0.28 -3.33 0.00 -1.26 -0.98 107.32 102.16 3mu9 s GLY 145 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.74 3mu9 s GLY 145 CO 0.05 0.16 1.72 0.84 0.00 0.00 0.00 173.10 175.86 3mu9 h HIS 146 N 3.21 0.70 0.00 1.90 2.76 -0.96 0.36 115.15 123.13 3mu9 h HIS 146 Ca -0.48 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3mu9 h HIS 146 Cb 1.19 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.97 3mu9 h HIS 146 CO 0.64 0.03 0.00 0.07 -1.30 0.00 0.00 177.93 177.37 3mu9 h ARG 147 N 0.48 0.00 0.00 5.26 0.11 -1.40 -1.42 114.38 117.41 3mu9 h ARG 147 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 3mu9 h ARG 147 Cb 0.93 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.01 3mu9 h ARG 147 CO -0.47 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.35 3mu9 n ASP 148 N -2.39 0.51 0.00 0.08 8.00 0.13 -4.01 116.55 118.86 3mu9 n ASP 148 Ca 0.02 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.09 3mu9 n ASP 148 Cb 0.23 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 -2.00 0.00 -3.79 2.53 0.24 -0.63 -5.00 118.33 109.69 3mu9 n VAL 149 Ca 0.05 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 3mu9 n VAL 149 Cb 0.33 1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.69 0.66 -0.72 7.34 -0.21 -0.65 -4.96 119.66 120.42 3mu9 s GLN 150 Ca 0.00 -0.32 -0.26 0.00 0.02 0.00 0.00 55.36 54.80 3mu9 s GLN 150 Cb 0.00 0.29 -0.00 0.00 1.00 0.00 0.00 33.01 34.29 3mu9 s GLN 150 CO 0.00 -0.18 1.67 -1.25 -2.12 0.00 0.00 175.29 173.41 3mu9 s PRO 151 N -1.63 2.86 0.17 2.91 0.04 -1.26 -4.25 135.00 133.85 3mu9 s PRO 151 Ca -0.12 0.10 -0.23 0.00 0.04 0.00 0.00 61.00 60.79 3mu9 s PRO 151 Cb -0.05 -4.50 0.06 0.00 0.04 0.00 0.00 34.50 30.06 3mu9 s PRO 151 CO 0.02 -2.61 0.63 -0.08 0.04 0.00 0.00 177.00 174.99 3mu9 s THR 152 N 7.92 0.00 -0.29 1.26 -1.32 -1.26 -5.02 115.64 116.93 3mu9 s THR 152 Ca 0.57 -0.15 0.23 0.00 -1.21 0.00 0.00 61.69 61.12 3mu9 s THR 152 Cb -0.09 -1.15 0.09 0.00 -1.51 0.00 0.00 72.50 69.83 3mu9 s THR 152 CO 0.14 0.00 1.19 -0.07 -2.21 0.00 0.00 174.62 173.67 3mu9 h LEU 153 N 2.00 0.00 -9.84 9.08 4.07 -1.96 -3.40 115.31 115.26 3mu9 h LEU 153 Ca -0.31 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.08 3mu9 h LEU 153 Cb 1.30 0.00 0.13 0.00 1.08 0.00 0.00 40.66 43.17 3mu9 h LEU 153 CO 0.36 0.01 0.40 -0.24 -1.08 0.00 0.00 178.44 177.88 3mu9 n SER 154 N -2.79 2.08 -1.15 -0.43 2.88 -1.26 -0.24 113.62 112.70 3mu9 n SER 154 Ca 0.01 1.02 -0.03 0.00 -1.33 0.00 0.00 58.87 58.54 3mu9 n SER 154 Cb 0.55 -1.47 0.06 0.00 -0.75 0.00 0.00 64.21 62.60 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 -0.30 1.53 0.00 -1.46 -0.04 -1.26 -1.39 135.00 132.08 3mu9 n PRO 155 Ca 0.09 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 3mu9 n PRO 155 Cb 0.42 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.11 -0.53 0.30 0.55 0.00 0.66 -4.31 105.19 101.98 3mu9 n GLY 156 Ca 0.12 -1.30 0.05 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.66 -0.34 1.61 3.32 -1.72 0.17 116.42 118.81 3mu9 h ASP 157 Ca 0.00 0.24 -0.17 0.00 0.02 0.00 0.00 57.03 57.12 3mu9 h ASP 157 Cb 0.00 0.48 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 3mu9 h ASP 157 CO 0.00 -0.26 -0.44 0.03 -1.72 0.00 0.00 179.24 176.84 3mu9 h ARG 158 N 0.02 0.91 -0.04 3.56 2.47 -1.25 -1.98 114.38 118.07 3mu9 h ARG 158 Ca 0.42 -0.51 -0.23 0.00 -1.26 0.00 0.00 59.98 58.40 3mu9 h ARG 158 Cb 0.69 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.05 3mu9 h ARG 158 CO -0.82 1.16 -0.90 1.25 0.56 0.00 0.00 179.97 181.22 3mu9 h LEU 159 N 0.72 0.68 -0.51 3.04 5.85 -1.40 -3.17 115.31 120.53 3mu9 h LEU 159 Ca 0.04 -0.51 0.07 0.00 0.84 0.00 0.00 57.88 58.33 3mu9 h LEU 159 Cb 1.04 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 3mu9 h LEU 159 CO 0.10 1.30 0.17 0.22 -0.34 0.00 0.00 178.44 179.89 3mu9 h TYR 160 N 0.33 0.29 -0.43 1.25 3.20 -0.58 -1.03 116.97 120.01 3mu9 h TYR 160 Ca -0.08 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.86 3mu9 h TYR 160 Cb 1.52 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.70 3mu9 h TYR 160 CO 0.07 0.08 0.21 1.05 -1.64 0.00 0.00 178.16 177.93 3mu9 h GLU 161 N 0.33 0.41 -0.36 1.82 4.11 -1.38 -2.03 114.58 117.48 3mu9 h GLU 161 Ca 0.25 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.65 3mu9 h GLU 161 Cb 0.28 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3mu9 h GLU 161 CO -0.26 0.27 0.22 0.82 0.07 0.00 0.00 179.01 180.12 3mu9 h ILE 162 N 0.42 1.12 -0.00 -1.06 2.04 -1.42 -2.81 117.51 115.80 3mu9 h ILE 162 Ca 0.19 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 3mu9 h ILE 162 Cb 0.10 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3mu9 h ILE 162 CO -0.14 0.12 -0.36 0.16 0.00 0.00 0.00 178.15 177.93 3mu9 h ILE 163 N 0.47 1.26 -0.14 -0.67 3.07 -0.86 0.45 117.51 121.09 3mu9 h ILE 163 Ca 0.13 -1.25 0.04 0.00 1.55 0.00 0.00 64.86 65.33 3mu9 h ILE 163 Cb 0.00 1.67 -0.01 0.00 -0.27 0.00 0.00 36.82 38.22 3mu9 h ILE 163 CO -0.02 0.36 0.35 1.56 -1.05 0.00 0.00 178.15 179.34 3mu9 h GLN 164 N 0.00 0.00 -0.01 0.16 4.20 -1.10 -0.87 115.11 117.49 3mu9 h GLN 164 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3mu9 h GLN 164 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3mu9 h GLN 164 CO 0.05 0.00 -0.32 0.25 -0.67 0.00 0.00 178.83 178.14 3mu9 n THR 165 N -3.21 0.00 -2.37 -0.54 -2.24 0.15 -4.91 114.28 101.16 3mu9 n THR 165 Ca 0.01 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 3mu9 n THR 165 Cb 0.44 0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.44 3.42 0.45 4.78 0.52 -0.33 -4.92 118.94 120.42 3mu9 s TRP 166 Ca 0.23 1.51 0.16 0.00 0.02 0.00 0.00 56.10 58.02 3mu9 s TRP 166 Cb 0.19 -3.42 1.10 0.00 -1.15 0.00 0.00 33.47 30.18 3mu9 s TRP 166 CO 0.52 -1.10 1.97 0.66 0.02 0.00 0.00 176.95 179.02 3mu9 h SER 167 N 4.49 0.31 0.19 2.95 4.64 -1.92 -0.20 113.55 124.01 3mu9 h SER 167 Ca -0.46 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3mu9 h SER 167 Cb 1.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3mu9 h SER 167 CO 0.71 0.18 -0.10 1.41 -0.87 0.00 0.00 176.83 178.16 3mu9 n HIS 168 N -4.46 0.00 -2.27 4.77 8.25 -1.26 -4.88 115.22 115.37 3mu9 n HIS 168 Ca 0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.16 3mu9 n HIS 168 Cb 0.44 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.29 3.28 -0.12 4.41 5.04 -0.09 -0.43 117.35 127.14 3mu9 s TYR 169 Ca 0.33 1.54 -0.02 0.00 -2.44 0.00 0.00 57.07 56.47 3mu9 s TYR 169 Cb 0.20 -3.51 0.04 0.00 0.35 0.00 0.00 41.96 39.05 3mu9 s TYR 169 CO 0.43 -1.29 0.03 1.03 -1.34 0.00 0.00 175.55 174.41 3mu9 s ARG 170 N -1.65 0.48 0.00 4.97 0.52 -0.68 -4.81 118.95 117.78 3mu9 s ARG 170 Ca 0.47 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 3mu9 s ARG 170 Cb -0.36 -1.42 0.00 0.00 0.52 0.00 0.00 34.95 33.69 3mu9 s ARG 170 CO 0.48 -0.47 0.46 0.00 0.02 0.00 0.00 175.30 175.79