#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 6.84 0.48 1.62 -4.77 -1.26 -5.10 116.67 114.47 3mu9 s ASP 2 Ca 0.00 2.24 0.19 0.00 -3.30 0.00 0.00 52.55 51.69 3mu9 s ASP 2 Cb 0.00 -2.58 1.20 0.00 -1.09 0.00 0.00 42.92 40.45 3mu9 s ASP 2 CO 0.00 -0.68 2.04 -0.65 0.70 0.00 0.00 175.17 176.58 3mu9 h PRO 3 N 7.23 0.00 -6.29 2.11 0.11 -1.95 -3.43 132.00 129.78 3mu9 h PRO 3 Ca -0.41 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.20 3mu9 h PRO 3 Cb 1.20 0.00 0.24 0.00 0.11 0.00 0.00 31.00 32.55 3mu9 h PRO 3 CO 0.88 0.15 -1.81 -2.30 -0.21 0.00 0.00 178.00 174.71 3mu9 n PRO 4 N -4.09 -0.46 -1.44 1.05 -0.02 -1.26 -4.98 135.00 123.80 3mu9 n PRO 4 Ca -0.02 -0.12 -0.30 0.00 -2.02 0.00 0.00 63.50 61.04 3mu9 n PRO 4 Cb 0.23 -1.30 0.11 0.00 -0.02 0.00 0.00 33.50 32.51 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 -2.12 1.98 -0.30 3.55 0.00 -1.26 -5.00 121.76 118.62 3mu9 s ALA 5 Ca 0.45 -0.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.06 3mu9 s ALA 5 Cb -0.06 -3.13 0.18 0.00 0.00 0.00 0.00 23.12 20.11 3mu9 s ALA 5 CO 0.70 -1.97 1.14 0.00 0.00 0.00 0.00 175.76 175.62 3mu9 n GLY 7 N 3.66 -1.89 2.97 0.00 0.00 -1.26 -4.83 105.19 103.84 3mu9 n GLY 7 Ca -0.16 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 3mu9 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mu9 s SER 8 N -6.65 2.00 -0.07 1.61 0.01 -1.26 -5.12 113.70 104.22 3mu9 s SER 8 Ca 0.00 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 56.99 3mu9 s SER 8 Cb 0.00 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.38 3mu9 s SER 8 CO 0.00 -0.04 -0.19 -0.63 0.41 0.00 0.00 173.24 172.80 3mu9 s ILE 9 N 1.16 1.61 -0.34 1.44 1.01 -1.26 -4.30 121.20 120.51 3mu9 s ILE 9 Ca -0.05 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3mu9 s ILE 9 Cb -0.14 -1.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.92 3mu9 s ILE 9 CO -0.02 0.46 1.46 -0.69 0.00 0.00 0.00 174.94 176.14 3mu9 s VAL 10 N 0.29 3.89 0.61 2.92 1.01 0.10 -4.91 120.40 124.30 3mu9 s VAL 10 Ca -0.12 0.95 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 3mu9 s VAL 10 Cb -0.15 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3mu9 s VAL 10 CO 0.05 -0.56 1.20 -2.16 0.00 0.00 0.00 175.10 173.63 3mu9 s PRO 11 N 4.75 2.91 0.17 2.72 0.05 -1.26 -1.17 135.00 143.18 3mu9 s PRO 11 Ca 0.64 1.80 -0.27 0.00 0.05 0.00 0.00 61.00 63.21 3mu9 s PRO 11 Cb -0.17 -1.92 0.02 0.00 0.05 0.00 0.00 34.50 32.47 3mu9 s PRO 11 CO 0.29 -1.25 1.55 0.00 0.05 0.00 0.00 177.00 177.65 3mu9 h ARG 12 N 0.76 -0.11 -0.83 4.56 3.08 -1.94 -0.08 114.38 119.82 3mu9 h ARG 12 Ca -0.50 0.01 0.14 0.00 0.07 0.00 0.00 59.98 59.70 3mu9 h ARG 12 Cb 1.29 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.31 3mu9 h ARG 12 CO 0.55 -0.07 0.54 0.00 -1.07 0.00 0.00 179.97 179.92 3mu9 h ARG 13 N -0.11 0.57 -0.36 0.04 3.08 -1.92 -1.27 114.38 114.41 3mu9 h ARG 13 Ca 0.19 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 3mu9 h ARG 13 Cb 0.51 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3mu9 h ARG 13 CO -0.84 0.38 -0.13 1.49 -1.07 0.00 0.00 179.97 179.79 3mu9 h GLU 14 N 0.59 0.63 -0.60 0.04 4.81 -1.37 -1.69 114.58 117.00 3mu9 h GLU 14 Ca 0.41 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3mu9 h GLU 14 Cb 0.76 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3mu9 h GLU 14 CO -0.17 0.75 0.00 -2.67 -0.73 0.00 0.00 179.01 176.19 3mu9 n TRP 15 N -4.17 0.99 -3.56 0.92 4.27 -0.83 -4.93 117.44 110.14 3mu9 n TRP 15 Ca 0.01 -0.42 -0.22 0.00 -3.89 0.00 0.00 57.50 52.98 3mu9 n TRP 15 Cb 0.35 -0.13 0.08 0.00 -1.36 0.00 0.00 31.31 30.25 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 0.90 -7.14 -2.15 -2.67 1.74 -0.64 -4.47 116.66 102.23 3mu9 n ARG 16 Ca 0.19 0.81 -0.37 0.00 -0.77 0.00 0.00 57.85 57.71 3mu9 n ARG 16 Cb 0.62 -5.82 0.00 0.00 -1.02 0.00 0.00 32.46 26.25 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 -3.35 2.91 0.51 7.54 0.00 -0.54 -4.97 121.76 123.85 3mu9 s ALA 17 Ca 0.33 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 53.11 3mu9 s ALA 17 Cb -0.15 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 3mu9 s ALA 17 CO 0.74 -0.83 1.07 -0.51 0.00 0.00 0.00 175.76 176.24 3mu9 s LEU 18 N -3.21 3.81 0.55 0.00 1.43 -1.26 -4.80 118.68 115.20 3mu9 s LEU 18 Ca 0.66 2.03 -0.21 0.00 -1.03 0.00 0.00 54.13 55.57 3mu9 s LEU 18 Cb -0.31 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.30 3mu9 s LEU 18 CO 0.37 -0.95 1.29 0.00 0.23 0.00 0.00 176.35 177.29 3mu9 n ALA 19 N -1.08 1.31 -2.10 4.21 0.00 -1.26 -4.96 120.51 116.63 3mu9 n ALA 19 Ca 0.10 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 3mu9 n ALA 19 Cb 0.52 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 3mu9 n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mu9 s SER 20 N -0.95 7.24 0.00 0.00 0.15 -1.26 -4.95 113.70 113.93 3mu9 s SER 20 Ca 0.72 1.49 0.16 0.00 0.70 0.00 0.00 55.95 59.01 3mu9 s SER 20 Cb -0.43 -2.44 0.23 0.00 -1.71 0.00 0.00 66.02 61.68 3mu9 s SER 20 CO 0.49 0.22 1.13 -0.62 1.20 0.00 0.00 173.24 175.65 3mu9 n GLU 21 N 1.54 1.77 -2.33 5.44 -0.58 -0.75 -5.00 120.64 120.73 3mu9 n GLU 21 Ca -0.07 -1.74 -0.38 0.00 -0.42 0.00 0.00 57.16 54.56 3mu9 n GLU 21 Cb 0.50 -1.33 -0.02 0.00 -0.57 0.00 0.00 31.44 30.02 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 -0.07 3.65 -2.50 0.00 5.12 -1.26 -5.06 116.66 116.53 3mu9 n ARG 23 Ca 0.05 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.54 3mu9 n ARG 23 Cb 0.47 -0.36 -0.02 0.00 -1.16 0.00 0.00 32.46 31.39 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 -0.16 3.79 0.54 5.56 2.02 -1.26 -5.01 118.70 124.18 3mu9 s GLU 24 Ca 0.00 0.90 -0.05 0.00 0.02 0.00 0.00 54.97 55.84 3mu9 s GLU 24 Cb 0.00 -3.90 -0.01 0.00 0.10 0.00 0.00 34.13 30.32 3mu9 s GLU 24 CO 0.00 -1.29 0.84 1.03 0.02 0.00 0.00 175.26 175.86 3mu9 s ARG 25 N 4.38 3.16 0.23 1.61 0.52 -1.26 -1.24 118.95 126.34 3mu9 s ARG 25 Ca 0.53 0.04 -0.00 0.00 -0.52 0.00 0.00 55.73 55.77 3mu9 s ARG 25 Cb -0.12 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 3mu9 s ARG 25 CO 0.27 -0.49 0.42 -0.51 0.02 0.00 0.00 175.30 175.01 3mu9 s LEU 26 N -4.87 4.20 -0.38 2.53 1.43 -0.53 -4.52 118.68 116.55 3mu9 s LEU 26 Ca 0.51 0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.83 3mu9 s LEU 26 Cb -0.10 -3.18 0.01 0.00 0.03 0.00 0.00 46.19 42.94 3mu9 s LEU 26 CO 0.45 -0.09 0.46 -0.89 0.23 0.00 0.00 176.35 176.51 3mu9 s THR 27 N -1.95 5.06 0.38 5.49 2.01 -1.26 -4.91 115.64 120.46 3mu9 s THR 27 Ca 0.38 0.01 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 3mu9 s THR 27 Cb -0.11 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 3mu9 s THR 27 CO 0.30 -0.29 0.95 0.00 -0.69 0.00 0.00 174.62 174.89 3mu9 s ARG 28 N 2.25 4.38 0.22 4.92 1.70 -1.26 -3.82 118.95 127.35 3mu9 s ARG 28 Ca 0.15 1.23 -0.05 0.00 -0.47 0.00 0.00 55.73 56.59 3mu9 s ARG 28 Cb -0.16 -2.47 -0.06 0.00 -0.57 0.00 0.00 34.95 31.69 3mu9 s ARG 28 CO 0.14 0.10 0.48 -1.25 -1.08 0.00 0.00 175.30 173.69 3mu9 s PRO 29 N -2.65 3.65 0.04 3.89 0.04 -1.26 -5.10 135.00 133.62 3mu9 s PRO 29 Ca 0.57 -0.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.42 3mu9 s PRO 29 Cb -0.14 -2.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.61 3mu9 s PRO 29 CO 0.18 0.33 0.53 0.08 0.04 0.00 0.00 177.00 178.17 3mu9 s VAL 30 N -1.87 4.84 -0.01 -0.36 1.01 0.12 -4.59 120.40 119.54 3mu9 s VAL 30 Ca 0.43 1.12 0.10 0.00 0.00 0.00 0.00 61.98 63.63 3mu9 s VAL 30 Cb -0.11 -3.85 -0.23 0.00 0.00 0.00 0.00 36.38 32.19 3mu9 s VAL 30 CO 0.26 0.54 0.79 -0.09 0.00 0.00 0.00 175.10 176.61 3mu9 h ARG 31 N 4.74 0.03 -6.76 2.72 2.43 -1.88 0.12 114.38 115.78 3mu9 h ARG 31 Ca -0.49 -0.04 -0.69 0.00 -0.81 0.00 0.00 59.98 57.94 3mu9 h ARG 31 Cb 1.21 0.02 -0.23 0.00 -0.42 0.00 0.00 29.97 30.55 3mu9 h ARG 31 CO 0.64 0.66 -0.85 0.71 -1.51 0.00 0.00 179.97 179.62 3mu9 s TYR 32 N -2.62 2.41 -0.14 2.20 1.51 -1.22 -1.10 117.35 118.39 3mu9 s TYR 32 Ca -0.04 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 3mu9 s TYR 32 Cb 0.08 -1.35 0.02 0.00 -0.11 0.00 0.00 41.96 40.60 3mu9 s TYR 32 CO 0.82 0.27 -0.15 0.08 -1.11 0.00 0.00 175.55 175.47 3mu9 s VAL 33 N -0.98 1.56 -0.23 0.71 1.01 -0.04 -0.37 120.40 122.07 3mu9 s VAL 33 Ca 0.14 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 3mu9 s VAL 33 Cb -0.10 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3mu9 s VAL 33 CO 0.05 0.46 0.05 -0.69 0.00 0.00 0.00 175.10 174.97 3mu9 s VAL 34 N 1.35 4.27 -0.23 2.92 1.01 -0.44 -0.41 120.40 128.88 3mu9 s VAL 34 Ca 0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 3mu9 s VAL 34 Cb -0.13 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3mu9 s VAL 34 CO -0.08 0.38 0.20 -0.69 0.00 0.00 0.00 175.10 174.90 3mu9 s VAL 35 N 1.29 5.34 0.45 2.92 1.01 0.17 -1.04 120.40 130.54 3mu9 s VAL 35 Ca 0.05 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3mu9 s VAL 35 Cb -0.15 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 3mu9 s VAL 35 CO 0.03 0.34 0.04 -0.94 0.00 0.00 0.00 175.10 174.57 3mu9 s SER 36 N 0.97 3.61 0.22 3.32 1.04 0.17 -0.32 113.70 122.70 3mu9 s SER 36 Ca 0.09 -1.58 0.11 0.00 0.48 0.00 0.00 55.95 55.05 3mu9 s SER 36 Cb -0.13 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 3mu9 s SER 36 CO 0.04 -0.77 -0.16 -1.38 0.98 0.00 0.00 173.24 171.96 3mu9 s HIS 37 N -2.96 2.45 0.02 5.02 -3.43 -1.26 -1.75 115.29 113.37 3mu9 s HIS 37 Ca 0.18 -0.29 0.21 0.00 -0.80 0.00 0.00 55.06 54.36 3mu9 s HIS 37 Cb 0.04 -1.15 0.65 0.00 -1.43 0.00 0.00 32.58 30.70 3mu9 s HIS 37 CO 0.10 0.58 1.71 1.79 -2.00 0.00 0.00 174.74 176.92 3mu9 h THR 38 N 2.63 0.61 -0.23 -5.38 1.35 -1.31 -3.46 112.91 107.11 3mu9 h THR 38 Ca -0.44 -1.41 -0.10 0.00 -0.55 0.00 0.00 66.41 63.91 3mu9 h THR 38 Cb 1.23 1.96 -0.04 0.00 -1.73 0.00 0.00 68.15 69.56 3mu9 h THR 38 CO 0.55 0.28 -0.09 0.00 -0.25 0.00 0.00 175.52 176.01 3mu9 n ALA 39 N -2.22 -0.08 -3.29 6.62 0.00 0.34 -4.91 120.51 116.97 3mu9 n ALA 39 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 3mu9 n ALA 39 Cb 0.52 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.19 2.54 3.76 0.00 0.00 -1.22 -4.72 105.19 104.35 3mu9 n GLY 40 Ca -0.05 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.28 5.47 0.57 1.61 0.01 -1.26 -3.20 113.70 115.61 3mu9 s SER 41 Ca 0.04 2.31 0.04 0.00 1.31 0.00 0.00 55.95 59.65 3mu9 s SER 41 Cb -0.00 -2.59 0.07 0.00 0.21 0.00 0.00 66.02 63.70 3mu9 s SER 41 CO 0.02 -1.40 0.79 -1.38 0.41 0.00 0.00 173.24 171.68 3mu9 s HIS 42 N -1.65 2.17 -0.07 2.43 -0.00 -1.26 -3.77 115.29 113.13 3mu9 s HIS 42 Ca 0.75 -0.34 -0.19 0.00 -0.00 0.00 0.00 55.06 55.28 3mu9 s HIS 42 Cb -0.28 -2.60 0.04 0.00 -0.00 0.00 0.00 32.58 29.74 3mu9 s HIS 42 CO 0.31 -1.06 0.44 0.00 -0.00 0.00 0.00 174.74 174.43 3mu9 n ASP 44 N 1.67 1.23 -3.96 0.00 5.68 -1.26 -2.51 116.55 117.40 3mu9 n ASP 44 Ca -0.19 -2.73 -0.09 0.00 -0.50 0.00 0.00 54.79 51.28 3mu9 n ASP 44 Cb 0.56 -0.37 -0.11 0.00 -1.14 0.00 0.00 41.12 40.07 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 -1.41 0.11 0.34 2.12 -4.23 -1.26 -4.44 115.64 106.86 3mu9 s THR 45 Ca 0.28 -0.87 0.07 0.00 -1.18 0.00 0.00 61.69 59.99 3mu9 s THR 45 Cb 0.29 -0.29 0.31 0.00 1.34 0.00 0.00 72.50 74.15 3mu9 s THR 45 CO -0.08 -0.48 1.86 -0.65 -0.54 0.00 0.00 174.62 174.73 3mu9 h PRO 46 N 4.58 0.75 0.04 3.99 0.11 -1.96 0.15 132.00 139.66 3mu9 h PRO 46 Ca -0.32 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 3mu9 h PRO 46 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3mu9 h PRO 46 CO 0.41 0.50 -0.02 0.00 -0.21 0.00 0.00 178.00 178.68 3mu9 h ALA 47 N 1.58 -0.05 -0.15 -0.75 0.00 -1.99 -1.03 119.26 116.87 3mu9 h ALA 47 Ca 0.46 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3mu9 h ALA 47 Cb 0.65 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3mu9 h ALA 47 CO -0.22 -0.37 -0.34 0.66 0.00 0.00 0.00 179.25 178.98 3mu9 h SER 48 N -0.37 0.31 0.67 0.00 4.64 -1.83 -2.68 113.55 114.28 3mu9 h SER 48 Ca -0.01 -0.11 -0.19 0.00 -0.47 0.00 0.00 61.79 61.01 3mu9 h SER 48 Cb 0.34 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3mu9 h SER 48 CO 0.01 0.63 -0.87 0.00 -0.87 0.00 0.00 176.83 175.73 3mu9 h ALA 50 N 1.03 0.99 -0.44 0.00 0.00 -1.08 -0.62 119.26 119.13 3mu9 h ALA 50 Ca -0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3mu9 h ALA 50 Cb 1.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3mu9 h ALA 50 CO 0.13 0.64 -0.03 0.37 0.00 0.00 0.00 179.25 180.36 3mu9 h GLN 51 N 0.97 0.79 -0.54 0.00 5.75 -1.33 -1.89 115.11 118.86 3mu9 h GLN 51 Ca 0.19 -0.27 -0.06 0.00 -0.15 0.00 0.00 58.65 58.37 3mu9 h GLN 51 Cb 0.42 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 3mu9 h GLN 51 CO 0.01 0.87 0.11 0.37 -2.65 0.00 0.00 178.83 177.55 3mu9 h GLN 52 N 0.63 0.84 -0.55 1.69 5.75 -0.77 0.54 115.11 123.24 3mu9 h GLN 52 Ca 0.12 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3mu9 h GLN 52 Cb 0.53 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3mu9 h GLN 52 CO 0.03 0.77 0.21 0.00 -2.65 0.00 0.00 178.83 177.19 3mu9 h ALA 53 N 1.31 0.71 -0.81 3.38 0.00 -0.94 0.16 119.26 123.07 3mu9 h ALA 53 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3mu9 h ALA 53 Cb 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3mu9 h ALA 53 CO 0.00 0.33 0.43 0.37 0.00 0.00 0.00 179.25 180.38 3mu9 h GLN 54 N 0.74 1.13 -0.46 0.00 4.15 -0.73 -1.12 115.11 118.83 3mu9 h GLN 54 Ca 0.18 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3mu9 h GLN 54 Cb 0.21 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3mu9 h GLN 54 CO -0.01 0.84 0.16 -0.91 -1.93 0.00 0.00 178.83 176.98 3mu9 h ASN 55 N 1.13 0.65 -0.51 -0.69 2.35 -0.29 0.13 115.58 118.35 3mu9 h ASN 55 Ca 0.28 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3mu9 h ASN 55 Cb 0.05 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3mu9 h ASN 55 CO -0.04 0.66 0.16 0.58 -1.65 0.00 0.00 177.43 177.14 3mu9 h VAL 56 N 0.60 1.23 -0.43 2.81 2.07 -0.70 -1.49 116.25 120.34 3mu9 h VAL 56 Ca 0.15 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3mu9 h VAL 56 Cb 0.23 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3mu9 h VAL 56 CO -0.01 0.29 0.11 -0.61 0.02 0.00 0.00 177.57 177.37 3mu9 h GLN 57 N 0.70 0.69 -0.57 1.57 4.15 -1.03 -1.87 115.11 118.75 3mu9 h GLN 57 Ca 0.16 -0.16 0.11 0.00 0.77 0.00 0.00 58.65 59.53 3mu9 h GLN 57 Cb 0.28 -0.09 -0.09 0.00 0.21 0.00 0.00 27.48 27.79 3mu9 h GLN 57 CO -0.00 0.69 0.06 1.03 -1.93 0.00 0.00 178.83 178.67 3mu9 h SER 58 N 0.56 -0.13 0.03 -0.69 0.87 -0.48 0.24 113.55 113.96 3mu9 h SER 58 Ca 0.14 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3mu9 h SER 58 Cb 0.31 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3mu9 h SER 58 CO 0.00 -0.04 -0.01 0.22 -0.53 0.00 0.00 176.83 176.46 3mu9 h TYR 59 N 0.18 -0.04 -0.16 2.24 3.20 -0.99 0.19 116.97 121.59 3mu9 h TYR 59 Ca 0.29 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3mu9 h TYR 59 Cb 0.45 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3mu9 h TYR 59 CO -0.29 0.08 0.09 0.45 -1.64 0.00 0.00 178.16 176.85 3mu9 h HIS 60 N -0.15 0.18 0.08 -3.82 3.86 -0.52 0.40 115.15 115.18 3mu9 h HIS 60 Ca -0.00 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mu9 h HIS 60 Cb 0.14 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3mu9 h HIS 60 CO -0.04 0.11 -0.04 0.28 0.86 0.00 0.00 177.93 179.10 3mu9 h VAL 61 N 0.20 0.94 -0.31 2.45 2.07 -0.55 -0.94 116.25 120.11 3mu9 h VAL 61 Ca 0.06 -1.44 -0.18 0.00 0.82 0.00 0.00 66.70 65.96 3mu9 h VAL 61 Cb -0.01 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3mu9 h VAL 61 CO -0.02 0.28 -0.51 0.03 0.02 0.00 0.00 177.57 177.37 3mu9 h ARG 62 N -0.92 0.89 0.01 1.57 2.47 -0.71 -2.74 114.38 114.95 3mu9 h ARG 62 Ca -0.01 -0.55 -0.40 0.00 -1.26 0.00 0.00 59.98 57.76 3mu9 h ARG 62 Cb 0.55 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.86 3mu9 h ARG 62 CO 0.02 1.19 -2.43 0.09 0.56 0.00 0.00 179.97 179.40 3mu9 n ASN 63 N -4.03 1.99 0.08 7.04 3.02 0.04 -4.45 115.26 118.95 3mu9 n ASN 63 Ca -0.04 -0.01 0.13 0.00 -0.03 0.00 0.00 54.58 54.63 3mu9 n ASN 63 Cb 0.61 -0.54 0.31 0.00 -0.61 0.00 0.00 39.78 39.55 3mu9 n ASN 63 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3mu9 n LEU 64 N -3.49 0.76 -0.49 3.41 4.77 -0.63 -4.94 117.00 116.39 3mu9 n LEU 64 Ca -0.46 0.42 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 3mu9 n LEU 64 Cb 0.97 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.77 3mu9 n LEU 64 CO 0.23 -0.12 -0.06 0.61 -1.33 0.00 0.00 177.39 176.72 3mu9 n GLY 65 N 1.32 0.84 3.84 -0.72 0.00 -0.67 -4.97 105.19 104.83 3mu9 n GLY 65 Ca 0.05 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.24 3.31 0.22 1.61 0.51 -0.45 -4.94 118.94 116.97 3mu9 s TRP 66 Ca 0.00 1.40 0.34 0.00 -2.12 0.00 0.00 56.10 55.71 3mu9 s TRP 66 Cb 0.00 -2.83 1.49 0.00 -0.81 0.00 0.00 33.47 31.31 3mu9 s TRP 66 CO 0.00 -0.91 2.03 0.00 -0.51 0.00 0.00 176.95 177.56 3mu9 s ASP 68 N -5.72 -0.05 0.32 0.00 2.15 -1.26 -1.81 116.67 110.30 3mu9 s ASP 68 Ca -0.00 -0.59 -0.28 0.00 0.43 0.00 0.00 52.55 52.11 3mu9 s ASP 68 Cb 0.10 0.49 -0.13 0.00 -0.30 0.00 0.00 42.92 43.08 3mu9 s ASP 68 CO 0.54 -0.95 1.14 0.55 -0.17 0.00 0.00 175.17 176.28 3mu9 n VAL 69 N -0.63 2.02 0.22 1.11 3.14 -1.26 -4.55 118.33 118.38 3mu9 n VAL 69 Ca -0.04 -0.50 0.06 0.00 -2.96 0.00 0.00 64.34 60.90 3mu9 n VAL 69 Cb 0.60 -1.27 0.51 0.00 -1.06 0.00 0.00 33.84 32.62 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 2.23 0.00 -2.36 7.55 0.00 -1.91 -3.40 103.07 105.18 3mu9 h GLY 70 Ca -0.43 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.42 3mu9 h GLY 70 CO 0.61 0.00 0.19 -0.19 0.00 0.00 0.00 176.54 177.15 3mu9 s TYR 71 N -4.39 3.43 0.12 5.60 2.02 -1.26 -1.24 117.35 121.63 3mu9 s TYR 71 Ca -0.03 1.23 -0.01 0.00 -0.37 0.00 0.00 57.07 57.88 3mu9 s TYR 71 Cb 0.15 -2.58 -0.14 0.00 -0.40 0.00 0.00 41.96 38.99 3mu9 s TYR 71 CO 0.68 -0.12 1.27 -0.91 -1.57 0.00 0.00 175.55 174.90 3mu9 h ASN 72 N 1.46 0.37 -4.85 2.29 4.21 -1.52 -0.86 115.58 116.69 3mu9 h ASN 72 Ca -0.47 -0.34 -0.12 0.00 1.21 0.00 0.00 56.30 56.58 3mu9 h ASN 72 Cb 1.18 -0.12 -0.21 0.00 -1.12 0.00 0.00 38.32 38.06 3mu9 h ASN 72 CO 0.63 1.19 -0.26 -0.36 -1.29 0.00 0.00 177.43 177.34 3mu9 s PHE 73 N -3.01 -0.23 0.14 1.19 0.40 -1.15 -0.03 117.98 115.29 3mu9 s PHE 73 Ca -0.04 0.39 0.10 0.00 -0.60 0.00 0.00 56.93 56.78 3mu9 s PHE 73 Cb 0.09 0.12 -0.04 0.00 0.51 0.00 0.00 43.02 43.69 3mu9 s PHE 73 CO 0.86 -0.38 -0.23 -0.51 0.70 0.00 0.00 175.22 175.66 3mu9 s LEU 74 N -1.14 2.35 -0.10 -0.37 1.02 -0.14 -2.52 118.68 117.79 3mu9 s LEU 74 Ca -0.12 -0.77 0.04 0.00 0.02 0.00 0.00 54.13 53.30 3mu9 s LEU 74 Cb -0.05 -1.06 0.00 0.00 0.02 0.00 0.00 46.19 45.10 3mu9 s LEU 74 CO 0.04 0.10 -0.24 -0.63 0.02 0.00 0.00 176.35 175.65 3mu9 s ILE 75 N -1.34 2.02 0.17 -0.59 -1.09 0.21 0.15 121.20 120.73 3mu9 s ILE 75 Ca 0.13 -1.00 0.04 0.00 -2.23 0.00 0.00 60.65 57.60 3mu9 s ILE 75 Cb -0.09 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 3mu9 s ILE 75 CO 0.06 0.55 0.23 -0.83 -1.23 0.00 0.00 174.94 173.72 3mu9 s GLY 76 N 0.33 1.65 0.00 6.18 0.00 -0.26 -1.55 107.32 113.66 3mu9 s GLY 76 Ca -0.18 -1.15 0.23 0.00 0.00 0.00 0.00 44.72 43.62 3mu9 s GLY 76 CO 0.08 -1.16 1.76 1.18 0.00 0.00 0.00 173.10 174.97 3mu9 n GLU 77 N -0.59 0.61 0.00 2.90 1.02 -1.04 -1.59 120.64 121.94 3mu9 n GLU 77 Ca -0.08 0.02 0.15 0.00 -0.02 0.00 0.00 57.16 57.23 3mu9 n GLU 77 Cb 0.55 -1.50 0.78 0.00 -0.02 0.00 0.00 31.44 31.25 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 -1.09 0.00 0.00 1.62 5.75 -1.23 -4.70 116.55 116.89 3mu9 n ASP 78 Ca 0.15 -0.30 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 3mu9 n ASP 78 Cb 0.11 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 1.18 0.63 3.65 6.12 0.00 -0.62 -4.89 105.19 111.25 3mu9 n GLY 79 Ca 0.16 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 3.35 -0.09 0.99 1.43 -1.25 -4.67 118.68 118.44 3mu9 s LEU 80 Ca 0.00 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 3mu9 s LEU 80 Cb 0.00 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 3mu9 s LEU 80 CO 0.00 0.20 0.37 -0.69 0.23 0.00 0.00 176.35 176.45 3mu9 s VAL 81 N -1.24 5.19 -0.15 -1.59 1.01 -1.26 -1.10 120.40 121.25 3mu9 s VAL 81 Ca 0.23 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 3mu9 s VAL 81 Cb -0.11 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3mu9 s VAL 81 CO 0.16 0.46 -0.08 -0.31 0.00 0.00 0.00 175.10 175.33 3mu9 s TYR 82 N -0.19 2.91 0.05 5.22 2.02 0.12 -0.72 117.35 126.76 3mu9 s TYR 82 Ca 0.21 -0.57 -0.31 0.00 -0.37 0.00 0.00 57.07 56.03 3mu9 s TYR 82 Cb -0.15 -1.93 -0.08 0.00 -0.40 0.00 0.00 41.96 39.40 3mu9 s TYR 82 CO 0.09 -0.21 1.66 -2.00 -1.57 0.00 0.00 175.55 173.52 3mu9 s GLU 83 N 0.55 4.19 0.00 -0.62 2.12 -0.31 -0.97 118.70 123.66 3mu9 s GLU 83 Ca -0.06 2.32 0.00 0.00 0.36 0.00 0.00 54.97 57.60 3mu9 s GLU 83 Cb -0.15 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.58 3mu9 s GLU 83 CO 0.03 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.41 3mu9 n GLY 84 N 4.03 0.96 0.18 -1.50 0.00 0.96 -4.56 105.19 105.26 3mu9 n GLY 84 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.72 -3.47 114.38 114.88 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 -0.04 -2.27 0.17 0.04 0.00 -0.49 -4.07 105.19 98.53 3mu9 n GLY 86 Ca 0.01 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.11 1.61 4.06 -1.95 -3.33 115.95 116.23 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 0.42 0.00 0.09 -3.56 0.00 0.00 178.44 175.39 3mu9 n ASN 88 N -3.49 2.45 -4.37 -3.49 3.02 -1.26 -4.83 115.26 103.29 3mu9 n ASN 88 Ca 0.00 -1.70 -0.33 0.00 -0.03 0.00 0.00 54.58 52.52 3mu9 n ASN 88 Cb 0.56 -0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.21 2.91 0.29 2.41 -1.09 -1.25 -1.45 121.20 121.81 3mu9 s ILE 89 Ca 0.20 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.60 3mu9 s ILE 89 Cb 0.13 -2.19 -0.11 0.00 -1.58 0.00 0.00 42.46 38.71 3mu9 s ILE 89 CO 0.19 0.54 1.61 -0.75 -1.23 0.00 0.00 174.94 175.30 3mu9 s LYS 90 N 0.14 4.11 0.62 2.79 2.20 -0.38 -4.73 119.74 124.50 3mu9 s LYS 90 Ca -0.08 2.59 0.05 0.00 -0.36 0.00 0.00 55.97 58.17 3mu9 s LYS 90 Cb -0.15 -3.02 0.09 0.00 -1.51 0.00 0.00 37.83 33.24 3mu9 s LYS 90 CO 0.05 -0.65 0.86 0.20 -0.36 0.00 0.00 175.35 175.45 3mu9 s GLY 91 N 0.52 1.77 -0.50 5.54 0.00 -1.26 -4.94 107.32 108.46 3mu9 s GLY 91 Ca 0.64 -1.89 0.03 0.00 0.00 0.00 0.00 44.72 43.50 3mu9 s GLY 91 CO 0.48 -1.42 0.33 0.00 0.00 0.00 0.00 173.10 172.49 3mu9 s ALA 92 N -2.84 2.36 0.00 3.20 0.00 -0.37 -4.76 121.76 119.34 3mu9 s ALA 92 Ca 0.63 -2.86 0.00 0.00 0.00 0.00 0.00 51.96 49.73 3mu9 s ALA 92 Cb -0.06 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3mu9 s ALA 92 CO 0.41 -2.05 0.00 -2.39 0.00 0.00 0.00 175.76 171.73 3mu9 n HIS 93 N 2.99 0.00 -2.23 0.00 1.44 -1.26 -4.32 115.22 111.84 3mu9 n HIS 93 Ca 0.17 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.91 3mu9 n HIS 93 Cb 0.38 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.52 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 2.33 0.00 1.59 0.00 -1.26 -5.05 120.51 118.12 3mu9 n ALA 94 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.45 3mu9 n ALA 94 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.17 -0.49 0.28 0.00 0.00 -1.26 -4.13 105.19 99.76 3mu9 n GLY 95 Ca 0.05 -1.68 0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 0.22 1.61 0.13 -1.99 0.16 132.00 132.13 3mu9 h PRO 96 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 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 -1.34 1.15 -0.23 0.00 0.00 178.00 177.58 3mu9 h THR 97 N 0.00 1.32 0.00 1.56 2.02 -1.99 -3.39 112.91 112.42 3mu9 h THR 97 Ca 0.00 -2.63 -0.30 0.00 0.77 0.00 0.00 66.41 64.24 3mu9 h THR 97 Cb 0.30 3.02 -0.06 0.00 -1.74 0.00 0.00 68.15 69.67 3mu9 h THR 97 CO 0.00 0.79 -2.06 0.79 0.37 0.00 0.00 175.52 175.41 3mu9 n TRP 98 N -3.80 0.40 -0.25 3.16 7.02 -1.13 -4.40 117.44 118.44 3mu9 n TRP 98 Ca -0.16 0.14 0.06 0.00 -1.02 0.00 0.00 57.50 56.52 3mu9 n TRP 98 Cb 1.04 -1.03 0.18 0.00 -2.42 0.00 0.00 31.31 29.08 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 -0.06 0.91 -0.99 2.35 -0.88 -1.94 115.58 114.98 3mu9 h ASN 99 Ca -0.39 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3mu9 h ASN 99 Cb 2.03 0.23 0.00 0.00 0.05 0.00 0.00 38.32 40.62 3mu9 h ASN 99 CO 0.04 -0.07 0.00 -0.81 -1.65 0.00 0.00 177.43 174.94 3mu9 n PRO 100 N -5.20 0.15 -0.13 0.81 -0.04 -1.26 -3.39 135.00 125.94 3mu9 n PRO 100 Ca 0.14 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.98 3mu9 n PRO 100 Cb 0.46 -1.74 0.13 0.00 -0.04 0.00 0.00 33.50 32.31 3mu9 n PRO 100 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3mu9 n ILE 101 N -2.02 1.74 -4.04 0.52 -5.35 -0.75 -4.70 119.36 104.76 3mu9 n ILE 101 Ca 0.04 -2.12 -0.10 0.00 -0.27 0.00 0.00 62.75 60.30 3mu9 n ILE 101 Cb 0.28 -0.17 -0.07 0.00 -1.74 0.00 0.00 39.64 37.94 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 -2.74 -0.00 -0.22 7.28 1.04 -1.08 -3.39 113.70 114.60 3mu9 s SER 102 Ca 0.30 -1.03 -0.05 0.00 0.48 0.00 0.00 55.95 55.64 3mu9 s SER 102 Cb 0.26 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.86 3mu9 s SER 102 CO 0.02 -1.01 0.01 -0.63 0.98 0.00 0.00 173.24 172.61 3mu9 s ILE 103 N -4.04 3.97 -0.19 -1.02 -1.09 0.50 -4.71 121.20 114.62 3mu9 s ILE 103 Ca 0.26 -0.30 -0.15 0.00 -2.23 0.00 0.00 60.65 58.23 3mu9 s ILE 103 Cb 0.02 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 3mu9 s ILE 103 CO 0.08 0.41 0.34 -0.83 -1.23 0.00 0.00 174.94 173.70 3mu9 s GLY 104 N 1.22 2.13 0.11 6.18 0.00 -1.26 -1.32 107.32 114.37 3mu9 s GLY 104 Ca 0.03 -0.53 0.10 0.00 0.00 0.00 0.00 44.72 44.32 3mu9 s GLY 104 CO 0.01 0.63 -0.25 -0.26 0.00 0.00 0.00 173.10 173.24 3mu9 s ILE 105 N 0.97 2.05 -0.05 0.90 -4.36 -0.21 -1.36 121.20 119.14 3mu9 s ILE 105 Ca 0.17 -1.63 -0.00 0.00 -0.26 0.00 0.00 60.65 58.93 3mu9 s ILE 105 Cb -0.14 -1.82 0.03 0.00 1.25 0.00 0.00 42.46 41.77 3mu9 s ILE 105 CO 0.06 0.08 -0.01 -0.55 0.24 0.00 0.00 174.94 174.76 3mu9 s SER 106 N -1.89 1.10 -0.12 4.36 0.15 -1.05 0.41 113.70 116.66 3mu9 s SER 106 Ca 0.11 -0.08 -0.25 0.00 0.70 0.00 0.00 55.95 56.44 3mu9 s SER 106 Cb -0.10 -0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 63.81 3mu9 s SER 106 CO 0.05 -0.13 0.80 -0.36 1.20 0.00 0.00 173.24 174.80 3mu9 s PHE 107 N 1.44 3.49 -0.59 3.44 0.40 -0.72 -0.62 117.98 124.82 3mu9 s PHE 107 Ca -0.03 1.28 -0.27 0.00 -0.60 0.00 0.00 56.93 57.30 3mu9 s PHE 107 Cb -0.13 -2.95 0.01 0.00 0.51 0.00 0.00 43.02 40.45 3mu9 s PHE 107 CO -0.03 -0.12 1.53 -1.64 0.70 0.00 0.00 175.22 175.66 3mu9 s MET 108 N 1.64 3.11 0.00 0.44 -1.94 -0.59 -1.68 119.30 120.28 3mu9 s MET 108 Ca 0.39 0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.81 3mu9 s MET 108 Cb -0.17 -4.20 0.00 0.00 2.01 0.00 0.00 34.83 32.46 3mu9 s MET 108 CO 0.15 -2.17 0.00 0.41 -0.01 0.00 0.00 175.02 173.40 3mu9 n GLY 109 N 5.40 -1.13 3.15 -0.03 0.00 -1.24 -4.19 105.19 107.15 3mu9 n GLY 109 Ca 0.13 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.16 4.21 -0.54 1.61 3.84 -1.20 -0.51 114.94 121.20 3mu9 s ASN 110 Ca 0.00 -1.00 0.01 0.00 0.21 0.00 0.00 52.86 52.08 3mu9 s ASN 110 Cb 0.00 -1.61 0.49 0.00 -0.55 0.00 0.00 41.25 39.57 3mu9 s ASN 110 CO 0.00 -0.13 1.83 -1.22 -2.79 0.00 0.00 177.10 174.78 3mu9 n TYR 111 N 4.60 2.97 0.03 0.43 4.02 -1.26 -4.39 117.16 123.56 3mu9 n TYR 111 Ca -0.16 -2.62 -0.20 0.00 -0.01 0.00 0.00 57.90 54.91 3mu9 n TYR 111 Cb 0.46 -1.11 -0.11 0.00 -0.02 0.00 0.00 39.34 38.56 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 1.82 0.62 0.00 -0.72 2.86 -1.84 -1.41 114.93 116.26 3mu9 h MET 112 Ca 0.54 -0.68 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3mu9 h MET 112 Cb 1.29 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.14 3mu9 h MET 112 CO 1.29 1.27 -0.03 0.09 1.06 0.00 0.00 176.91 180.59 3mu9 n ASN 113 N -3.95 1.71 -4.06 1.22 4.13 -1.26 -3.74 115.26 109.31 3mu9 n ASN 113 Ca -0.11 -2.15 -0.07 0.00 1.68 0.00 0.00 54.58 53.93 3mu9 n ASN 113 Cb 0.83 -0.12 -0.10 0.00 -1.54 0.00 0.00 39.78 38.85 3mu9 n ASN 113 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3mu9 s ARG 114 N -1.29 0.58 0.23 3.52 0.52 -1.26 -5.05 118.95 116.20 3mu9 s ARG 114 Ca 0.08 -1.12 0.10 0.00 -0.52 0.00 0.00 55.73 54.27 3mu9 s ARG 114 Cb 0.07 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 3mu9 s ARG 114 CO 0.01 -0.11 -0.08 0.14 0.02 0.00 0.00 175.30 175.28 3mu9 s VAL 115 N -3.57 3.15 0.64 3.52 -7.23 -1.26 -4.38 120.40 111.27 3mu9 s VAL 115 Ca 0.04 -1.90 -0.15 0.00 -1.81 0.00 0.00 61.98 58.15 3mu9 s VAL 115 Cb 0.05 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 3mu9 s VAL 115 CO -0.09 -0.27 1.10 -2.84 -0.31 0.00 0.00 175.10 172.69 3mu9 s PRO 116 N -3.28 2.92 0.74 4.82 0.02 -1.26 -4.98 135.00 133.97 3mu9 s PRO 116 Ca 0.28 1.34 -0.11 0.00 0.02 0.00 0.00 61.00 62.53 3mu9 s PRO 116 Cb -0.07 -1.97 0.04 0.00 0.02 0.00 0.00 34.50 32.52 3mu9 s PRO 116 CO 0.17 -1.15 1.08 -1.25 -0.33 0.00 0.00 177.00 175.52 3mu9 s PRO 117 N -4.10 2.50 0.35 5.54 0.04 -1.26 -4.84 135.00 133.23 3mu9 s PRO 117 Ca 0.66 1.14 0.09 0.00 0.04 0.00 0.00 61.00 62.93 3mu9 s PRO 117 Cb -0.19 -1.93 0.83 0.00 0.04 0.00 0.00 34.50 33.25 3mu9 s PRO 117 CO 0.41 -1.45 1.83 -1.35 0.04 0.00 0.00 177.00 176.47 3mu9 h PRO 118 N -0.88 0.66 -0.24 0.56 0.11 -1.97 -1.61 132.00 128.63 3mu9 h PRO 118 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3mu9 h PRO 118 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3mu9 h PRO 118 CO 0.53 0.43 0.12 0.07 -0.21 0.00 0.00 178.00 178.95 3mu9 h ARG 119 N 0.68 0.32 -0.23 1.05 0.11 -1.91 0.66 114.38 115.05 3mu9 h ARG 119 Ca 0.51 -0.03 -0.20 0.00 0.10 0.00 0.00 59.98 60.36 3mu9 h ARG 119 Cb 0.88 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.90 3mu9 h ARG 119 CO -0.26 0.24 -0.65 0.00 0.10 0.00 0.00 179.97 179.40 3mu9 h ALA 120 N 1.81 0.42 -0.55 0.08 0.00 -1.52 -2.16 119.26 117.34 3mu9 h ALA 120 Ca 0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3mu9 h ALA 120 Cb 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3mu9 h ALA 120 CO -0.01 0.69 -0.02 -0.07 0.00 0.00 0.00 179.25 179.83 3mu9 h LEU 121 N 0.60 0.97 -0.40 0.00 3.38 -1.06 -2.02 115.31 116.78 3mu9 h LEU 121 Ca -0.01 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3mu9 h LEU 121 Cb 1.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3mu9 h LEU 121 CO 0.14 1.05 0.21 0.03 0.09 0.00 0.00 178.44 179.96 3mu9 h ARG 122 N 0.86 0.56 -0.64 1.13 3.08 -0.85 -1.87 114.38 116.64 3mu9 h ARG 122 Ca 0.15 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.15 3mu9 h ARG 122 Cb 0.57 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 3mu9 h ARG 122 CO 0.03 0.46 0.41 0.00 -1.07 0.00 0.00 179.97 179.81 3mu9 h ALA 123 N 1.07 0.82 0.14 0.04 0.00 -1.24 0.28 119.26 120.37 3mu9 h ALA 123 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3mu9 h ALA 123 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3mu9 h ALA 123 CO -0.02 0.21 -0.07 0.00 0.00 0.00 0.00 179.25 179.37 3mu9 h ALA 124 N 1.25 -0.19 -0.45 0.00 0.00 -1.15 0.35 119.26 119.08 3mu9 h ALA 124 Ca 0.24 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3mu9 h ALA 124 Cb -0.06 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3mu9 h ALA 124 CO -0.07 -0.58 -0.04 1.96 0.00 0.00 0.00 179.25 180.52 3mu9 h GLN 125 N -0.23 0.76 -0.29 0.00 4.20 -1.18 -2.35 115.11 116.02 3mu9 h GLN 125 Ca -0.02 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 3mu9 h GLN 125 Cb 0.18 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3mu9 h GLN 125 CO 0.03 0.80 -0.20 -0.91 -0.67 0.00 0.00 178.83 177.88 3mu9 h ASN 126 N 0.70 0.52 -0.34 1.46 2.35 -0.78 -1.79 115.58 117.71 3mu9 h ASN 126 Ca 0.13 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3mu9 h ASN 126 Cb 0.49 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3mu9 h ASN 126 CO 0.03 0.73 0.21 0.25 -1.65 0.00 0.00 177.43 176.99 3mu9 h LEU 127 N 0.47 0.41 -0.17 1.61 5.85 -0.48 -1.76 115.31 121.24 3mu9 h LEU 127 Ca 0.08 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3mu9 h LEU 127 Cb 0.61 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3mu9 h LEU 127 CO 0.04 0.33 0.10 -0.07 -0.34 0.00 0.00 178.44 178.50 3mu9 h LEU 128 N 0.45 0.21 -0.95 2.25 3.38 -1.10 -0.43 115.31 119.11 3mu9 h LEU 128 Ca 0.12 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.18 3mu9 h LEU 128 Cb -0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.60 3mu9 h LEU 128 CO -0.02 0.22 0.55 0.00 0.09 0.00 0.00 178.44 179.28 3mu9 h ALA 129 N 1.00 1.48 -0.67 1.53 0.00 -1.14 0.13 119.26 121.61 3mu9 h ALA 129 Ca 0.06 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3mu9 h ALA 129 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3mu9 h ALA 129 CO -0.01 0.01 0.10 0.00 0.00 0.00 0.00 179.25 179.35 3mu9 h GLY 131 N 1.05 1.38 0.83 0.00 0.00 0.88 -0.24 103.07 106.97 3mu9 h GLY 131 Ca 0.20 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3mu9 h GLY 131 CO 0.01 0.31 0.04 -2.08 0.00 0.00 0.00 176.54 174.82 3mu9 h VAL 132 N 1.07 1.19 -0.64 4.60 2.07 -0.90 0.12 116.25 123.77 3mu9 h VAL 132 Ca 0.39 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.40 3mu9 h VAL 132 Cb 0.14 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3mu9 h VAL 132 CO -0.16 0.18 0.42 0.00 0.02 0.00 0.00 177.57 178.02 3mu9 h ALA 133 N 0.84 1.83 0.00 1.67 0.00 -0.71 -0.04 119.26 122.85 3mu9 h ALA 133 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mu9 h ALA 133 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3mu9 h ALA 133 CO -0.00 0.06 -0.03 1.28 0.00 0.00 0.00 179.25 180.56 3mu9 n LEU 134 N -4.48 0.60 0.00 0.00 4.77 -0.16 -4.76 117.00 112.97 3mu9 n LEU 134 Ca 0.09 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 3mu9 n LEU 134 Cb 0.27 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3mu9 n LEU 134 CO 0.34 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3mu9 n GLY 135 N 1.36 0.59 0.14 -0.72 0.00 -0.03 -4.90 105.19 101.64 3mu9 n GLY 135 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 0.34 -3.74 4.61 0.00 -1.22 -3.37 119.26 115.88 3mu9 h ALA 136 Ca 0.00 -0.74 -0.68 0.00 0.00 0.00 0.00 54.91 53.49 3mu9 h ALA 136 Cb 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.58 3mu9 h ALA 136 CO 0.00 0.86 -0.77 -0.51 0.00 0.00 0.00 179.25 178.83 3mu9 s LEU 137 N -7.56 2.83 0.55 0.00 1.43 -0.86 0.14 118.68 115.21 3mu9 s LEU 137 Ca -0.05 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 52.43 3mu9 s LEU 137 Cb 0.09 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3mu9 s LEU 137 CO 0.86 0.21 1.26 -0.13 0.23 0.00 0.00 176.35 178.78 3mu9 s ARG 138 N -1.86 3.17 0.50 1.70 0.52 0.43 -4.30 118.95 119.12 3mu9 s ARG 138 Ca 0.18 1.97 0.15 0.00 -0.52 0.00 0.00 55.73 57.50 3mu9 s ARG 138 Cb -0.11 -2.14 1.20 0.00 0.52 0.00 0.00 34.95 34.43 3mu9 s ARG 138 CO 0.09 -1.09 2.13 0.66 0.02 0.00 0.00 175.30 177.12 3mu9 h SER 139 N 1.31 0.08 -1.07 0.23 4.64 -1.91 -1.24 113.55 115.59 3mu9 h SER 139 Ca -0.50 -0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.16 3mu9 h SER 139 Cb 1.29 -0.02 -0.33 0.00 -0.31 0.00 0.00 62.40 63.03 3mu9 h SER 139 CO 0.57 0.06 0.37 -0.46 -0.87 0.00 0.00 176.83 176.50 3mu9 n ASN 140 N -4.53 6.82 -4.65 4.97 6.94 -1.26 -5.02 115.26 118.53 3mu9 n ASN 140 Ca -0.02 -3.78 -0.31 0.00 -0.02 0.00 0.00 54.58 50.45 3mu9 n ASN 140 Cb 0.09 -0.80 0.18 0.00 -2.36 0.00 0.00 39.78 36.89 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 -0.80 0.62 -5.08 -2.53 0.18 -0.47 -5.03 117.16 104.05 3mu9 n TYR 141 Ca 0.56 0.35 -0.29 0.00 1.88 0.00 0.00 57.90 60.39 3mu9 n TYR 141 Cb 0.69 -1.97 -0.16 0.00 -0.38 0.00 0.00 39.34 37.52 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 -4.60 2.18 -0.16 -3.48 2.02 -0.26 -4.80 118.70 109.60 3mu9 s GLU 142 Ca 0.67 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.81 3mu9 s GLU 142 Cb -0.23 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 3mu9 s GLU 142 CO 0.59 0.33 0.08 0.08 0.02 0.00 0.00 175.26 176.36 3mu9 s VAL 143 N -0.10 4.96 0.14 2.63 1.01 0.13 -0.86 120.40 128.31 3mu9 s VAL 143 Ca -0.03 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3mu9 s VAL 143 Cb -0.12 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3mu9 s VAL 143 CO 0.03 0.50 -0.17 -0.54 0.00 0.00 0.00 175.10 174.92 3mu9 s LYS 144 N -0.05 1.15 0.40 2.72 1.02 0.45 -2.44 119.74 122.99 3mu9 s LYS 144 Ca 0.07 -1.30 -0.16 0.00 0.02 0.00 0.00 55.97 54.60 3mu9 s LYS 144 Cb -0.12 -1.16 -0.09 0.00 -0.52 0.00 0.00 37.83 35.95 3mu9 s LYS 144 CO 0.01 0.24 0.84 0.20 -0.92 0.00 0.00 175.35 175.71 3mu9 s GLY 145 N -2.48 2.23 0.27 -3.33 0.00 -1.26 -0.65 107.32 102.10 3mu9 s GLY 145 Ca 0.12 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.95 3mu9 s GLY 145 CO 0.05 0.34 1.73 0.84 0.00 0.00 0.00 173.10 176.06 3mu9 h HIS 146 N 1.75 0.68 0.00 1.90 2.76 -0.82 0.21 115.15 121.62 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 1.18 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.97 3mu9 h HIS 146 CO 0.62 0.06 0.00 0.07 -1.30 0.00 0.00 177.93 177.38 3mu9 h ARG 147 N 0.50 0.00 0.00 5.26 0.11 -1.44 -1.44 114.38 117.36 3mu9 h ARG 147 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 3mu9 h ARG 147 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 3mu9 h ARG 147 CO -0.44 0.00 0.00 -0.44 0.10 0.00 0.00 179.97 179.19 3mu9 h ASP 148 N 0.00 0.00 0.00 0.08 3.32 -0.89 -3.33 116.42 115.60 3mu9 h ASP 148 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mu9 h ASP 148 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3mu9 h ASP 148 CO 0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 3mu9 n VAL 149 N -2.47 0.00 -3.94 -1.35 0.24 -0.74 -5.01 118.33 105.07 3mu9 n VAL 149 Ca 0.03 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.34 61.95 3mu9 n VAL 149 Cb 0.35 1.27 -0.10 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.21 0.55 -0.54 7.34 -0.21 -0.62 -4.99 119.66 120.98 3mu9 s GLN 150 Ca 0.00 -0.75 -0.26 0.00 0.02 0.00 0.00 55.36 54.37 3mu9 s GLN 150 Cb 0.00 0.21 0.03 0.00 1.00 0.00 0.00 33.01 34.26 3mu9 s GLN 150 CO 0.00 -0.13 1.04 -1.25 -2.12 0.00 0.00 175.29 172.83 3mu9 s PRO 151 N -2.49 3.45 -0.01 2.91 0.04 -1.26 -4.22 135.00 133.42 3mu9 s PRO 151 Ca -0.06 0.04 -0.29 0.00 0.04 0.00 0.00 61.00 60.73 3mu9 s PRO 151 Cb -0.02 -4.01 0.10 0.00 0.04 0.00 0.00 34.50 30.62 3mu9 s PRO 151 CO -0.04 -1.50 0.89 -0.08 0.04 0.00 0.00 177.00 176.31 3mu9 s THR 152 N 4.30 0.00 -0.18 1.26 -1.32 -1.26 -5.02 115.64 113.42 3mu9 s THR 152 Ca 0.37 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.01 3mu9 s THR 152 Cb -0.10 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.94 3mu9 s THR 152 CO 0.23 0.00 1.34 -0.07 -2.21 0.00 0.00 174.62 173.91 3mu9 h LEU 153 N 2.01 0.00 -9.53 9.08 3.38 -1.98 -3.41 115.31 114.87 3mu9 h LEU 153 Ca -0.22 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.15 3mu9 h LEU 153 Cb 1.24 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.11 3mu9 h LEU 153 CO 0.31 0.45 0.06 -0.24 0.09 0.00 0.00 178.44 179.12 3mu9 n SER 154 N -3.14 0.95 -1.36 -0.43 2.88 -1.26 0.15 113.62 111.43 3mu9 n SER 154 Ca 0.00 1.07 -0.06 0.00 -1.33 0.00 0.00 58.87 58.56 3mu9 n SER 154 Cb 0.73 -1.29 0.10 0.00 -0.75 0.00 0.00 64.21 63.00 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 0.44 1.85 0.00 -1.46 -0.04 -1.26 -1.51 135.00 133.01 3mu9 n PRO 155 Ca 0.10 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 3mu9 n PRO 155 Cb 0.36 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.03 0.45 0.37 0.55 0.00 0.12 -4.21 105.19 102.44 3mu9 n GLY 156 Ca 0.20 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.30 -0.64 1.61 3.32 -1.69 0.12 116.42 117.84 3mu9 h ASP 157 Ca 0.00 0.28 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3mu9 h ASP 157 Cb 0.00 0.68 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 3mu9 h ASP 157 CO 0.00 -0.29 0.25 0.03 -1.72 0.00 0.00 179.24 177.51 3mu9 h ARG 158 N -0.06 0.96 -0.15 3.56 2.47 -1.34 -1.68 114.38 118.14 3mu9 h ARG 158 Ca 0.31 -0.18 -0.18 0.00 -1.26 0.00 0.00 59.98 58.68 3mu9 h ARG 158 Cb 0.59 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3mu9 h ARG 158 CO -0.88 0.81 -0.66 1.25 0.56 0.00 0.00 179.97 181.05 3mu9 h LEU 159 N 0.90 0.65 -0.44 3.04 5.85 -1.37 -3.09 115.31 120.85 3mu9 h LEU 159 Ca 0.21 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3mu9 h LEU 159 Cb 0.21 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3mu9 h LEU 159 CO -0.02 1.13 0.20 0.22 -0.34 0.00 0.00 178.44 179.64 3mu9 h TYR 160 N 0.41 0.65 -0.68 1.25 3.20 -0.59 -1.34 116.97 119.86 3mu9 h TYR 160 Ca -0.02 -0.04 0.17 0.00 3.14 0.00 0.00 58.73 61.98 3mu9 h TYR 160 Cb 1.23 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 3mu9 h TYR 160 CO 0.05 0.54 0.47 0.93 -1.64 0.00 0.00 178.16 178.51 3mu9 h GLU 161 N 0.57 0.18 0.19 1.82 5.08 -1.24 -1.11 114.58 120.08 3mu9 h GLU 161 Ca 0.15 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.24 3mu9 h GLU 161 Cb 0.15 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.38 3mu9 h GLU 161 CO -0.02 0.12 -1.15 0.82 -1.00 0.00 0.00 179.01 177.79 3mu9 h ILE 162 N 0.19 1.39 0.00 3.13 2.04 -1.37 -3.34 117.51 119.55 3mu9 h ILE 162 Ca 0.33 -2.61 -0.07 0.00 1.00 0.00 0.00 64.86 63.52 3mu9 h ILE 162 Cb 1.03 3.10 -0.01 0.00 -0.74 0.00 0.00 36.82 40.20 3mu9 h ILE 162 CO -0.06 0.76 -0.31 0.16 0.00 0.00 0.00 178.15 178.70 3mu9 h ILE 163 N -0.09 0.98 -0.58 -0.67 3.07 -0.09 -1.27 117.51 118.86 3mu9 h ILE 163 Ca -0.20 -1.18 0.17 0.00 1.55 0.00 0.00 64.86 65.20 3mu9 h ILE 163 Cb 1.90 1.68 -0.02 0.00 -0.27 0.00 0.00 36.82 40.11 3mu9 h ILE 163 CO 0.22 0.31 0.53 1.56 -1.05 0.00 0.00 178.15 179.71 3mu9 h GLN 164 N 0.00 0.00 -0.00 0.16 4.20 -1.53 0.41 115.11 118.35 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 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3mu9 h GLN 164 CO 0.04 0.00 -0.52 0.25 -0.67 0.00 0.00 178.83 177.94 3mu9 n THR 165 N -3.89 0.00 -2.18 -0.54 -2.24 -0.48 -4.88 114.28 100.07 3mu9 n THR 165 Ca 0.11 -0.02 -0.38 0.00 -2.27 0.00 0.00 64.05 61.49 3mu9 n THR 165 Cb 0.75 0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 69.32 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 -2.93 2.89 0.22 4.78 0.52 0.14 -4.93 118.94 119.64 3mu9 s TRP 166 Ca 0.12 1.50 -0.13 0.00 0.02 0.00 0.00 56.10 57.61 3mu9 s TRP 166 Cb 0.18 -3.50 0.27 0.00 -1.15 0.00 0.00 33.47 29.27 3mu9 s TRP 166 CO 0.69 -1.70 1.60 0.77 0.02 0.00 0.00 176.95 178.34 3mu9 h SER 167 N 2.42 -0.77 -0.30 2.95 0.02 -1.92 -1.60 113.55 114.35 3mu9 h SER 167 Ca -0.49 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3mu9 h SER 167 Cb 1.25 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.27 3mu9 h SER 167 CO 0.62 -0.25 0.00 1.41 -1.14 0.00 0.00 176.83 177.46 3mu9 n HIS 168 N -5.48 0.50 -2.45 3.45 8.25 -1.26 -4.92 115.22 113.31 3mu9 n HIS 168 Ca 0.09 -0.23 -0.41 0.00 -0.26 0.00 0.00 57.72 56.91 3mu9 n HIS 168 Cb 0.37 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.61 3.51 -0.26 4.41 5.04 -0.60 0.19 117.35 128.02 3mu9 s TYR 169 Ca 0.21 1.50 -0.03 0.00 -2.44 0.00 0.00 57.07 56.31 3mu9 s TYR 169 Cb 0.12 -3.35 0.15 0.00 0.35 0.00 0.00 41.96 39.23 3mu9 s TYR 169 CO 0.13 -0.90 0.48 0.50 -1.34 0.00 0.00 175.55 174.42 3mu9 s ARG 170 N -0.20 0.44 0.00 4.97 6.06 -1.02 -4.86 118.95 124.34 3mu9 s ARG 170 Ca 0.52 0.85 0.00 0.00 -2.50 0.00 0.00 55.73 54.60 3mu9 s ARG 170 Cb -0.31 0.11 0.00 0.00 0.06 0.00 0.00 34.95 34.82 3mu9 s ARG 170 CO 0.35 -0.53 0.38 0.00 -2.50 0.00 0.00 175.30 173.00