#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qi9 s ILE 3 N 0.00 3.85 -2.80 -1.33 1.01 -1.26 0.11 121.20 120.79 2qi9 s ILE 3 Ca 0.00 1.00 0.24 0.00 0.00 0.00 0.00 60.65 61.89 2qi9 s ILE 3 Cb 0.00 -3.77 0.29 0.00 0.01 0.00 0.00 42.46 38.99 2qi9 s ILE 3 CO 0.00 -0.22 1.33 0.52 0.00 0.00 0.00 174.94 176.56 2qi9 n VAL 4 N 5.93 0.18 -3.65 2.92 0.31 0.89 -4.84 118.33 120.07 2qi9 n VAL 4 Ca 0.17 -0.58 -0.02 0.00 -0.01 0.00 0.00 64.34 63.90 2qi9 n VAL 4 Cb 0.45 1.28 -0.07 0.00 -0.91 0.00 0.00 33.84 34.59 2qi9 n VAL 4 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2qi9 s GLN 6 N -1.82 0.16 -0.03 5.55 -0.21 -0.33 -0.99 119.66 121.99 2qi9 s GLN 6 Ca 0.32 0.24 0.06 0.00 0.02 0.00 0.00 55.36 56.00 2qi9 s GLN 6 Cb 0.21 0.06 -0.01 0.00 1.00 0.00 0.00 33.01 34.27 2qi9 s GLN 6 CO 0.31 -0.03 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.73 2qi9 s LEU 7 N 0.64 2.01 -0.16 2.90 1.43 -0.27 -0.11 118.68 125.12 2qi9 s LEU 7 Ca -0.01 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2qi9 s LEU 7 Cb -0.04 -1.13 0.04 0.00 0.03 0.00 0.00 46.19 45.09 2qi9 s LEU 7 CO -0.12 0.23 -0.03 -1.10 0.23 0.00 0.00 176.35 175.55 2qi9 s GLN 8 N -0.25 1.21 -1.46 1.70 1.11 -0.07 -1.91 119.66 119.99 2qi9 s GLN 8 Ca 0.02 -0.41 -0.03 0.00 0.01 0.00 0.00 55.36 54.94 2qi9 s GLN 8 Cb -0.11 -1.87 0.01 0.00 -1.01 0.00 0.00 33.01 30.04 2qi9 s GLN 8 CO 0.01 -0.44 0.29 -0.25 0.01 0.00 0.00 175.29 174.91 2qi9 n ASP 9 N 4.94 -5.15 -4.69 5.90 8.00 -0.44 -1.73 116.55 123.38 2qi9 n ASP 9 Ca -0.11 -0.13 -0.42 0.00 0.71 0.00 0.00 54.79 54.85 2qi9 n ASP 9 Cb 0.48 -4.25 -0.03 0.00 -0.02 0.00 0.00 41.12 37.30 2qi9 n ASP 9 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qi9 s VAL 10 N -2.97 2.78 0.05 2.53 1.01 -0.77 -3.25 120.40 119.78 2qi9 s VAL 10 Ca 0.17 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 2qi9 s VAL 10 Cb -0.08 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.17 2qi9 s VAL 10 CO 0.21 -0.00 0.36 0.00 0.00 0.00 0.00 175.10 175.68 2qi9 s ALA 11 N 2.80 -0.86 -0.44 5.51 0.00 -0.45 -1.99 121.76 126.33 2qi9 s ALA 11 Ca 0.78 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.94 2qi9 s ALA 11 Cb -0.43 0.37 0.21 0.00 0.00 0.00 0.00 23.12 23.27 2qi9 s ALA 11 CO 0.35 -0.46 0.46 -1.91 0.00 0.00 0.00 175.76 174.20 2qi9 n GLU 12 N 0.45 0.70 0.00 0.00 2.13 -0.95 -2.08 120.64 120.88 2qi9 n GLU 12 Ca -0.18 -3.40 0.00 0.00 0.66 0.00 0.00 57.16 54.24 2qi9 n GLU 12 Cb 0.60 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.74 2qi9 n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2qi9 n SER 13 N 2.04 0.00 0.23 4.31 2.88 -1.26 -1.61 113.62 120.21 2qi9 n SER 13 Ca 0.26 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.95 2qi9 n SER 13 Cb 0.49 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.55 2qi9 n SER 13 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qi9 h THR 14 N 0.00 0.00 0.00 2.46 2.02 -1.98 -3.29 112.91 112.12 2qi9 h THR 14 Ca 0.00 -0.45 -0.14 0.00 0.77 0.00 0.00 66.41 66.60 2qi9 h THR 14 Cb 0.00 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2qi9 h THR 14 CO 0.00 0.00 -0.72 0.03 0.37 0.00 0.00 175.52 175.20 2qi9 h ARG 15 N 0.00 0.00 -2.10 6.66 3.08 -1.63 -3.38 114.38 117.01 2qi9 h ARG 15 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2qi9 h ARG 15 Cb 0.49 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.14 2qi9 h ARG 15 CO 0.00 0.58 -0.88 -0.11 -1.07 0.00 0.00 179.97 178.49 2qi9 n LEU 16 N -3.21 2.04 -4.38 3.04 0.00 -1.14 -3.92 117.00 109.43 2qi9 n LEU 16 Ca 0.00 -5.12 -0.44 0.00 0.00 0.00 0.00 56.01 50.45 2qi9 n LEU 16 Cb 0.79 0.04 -0.01 0.00 0.00 0.00 0.00 43.42 44.24 2qi9 n LEU 16 CO 0.42 2.12 -0.12 0.61 0.00 0.00 0.00 177.39 180.42 2qi9 n GLY 17 N 0.89 -1.99 3.47 -3.96 0.00 -0.93 -2.25 105.19 100.41 2qi9 n GLY 17 Ca 0.26 0.14 -0.62 0.00 0.00 0.00 0.00 46.02 45.80 2qi9 n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qi9 n PRO 18 N 1.03 0.00 -4.17 1.61 -0.04 -1.25 -4.59 135.00 127.59 2qi9 n PRO 18 Ca 0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.43 2qi9 n PRO 18 Cb 0.34 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 2qi9 n PRO 18 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qi9 s LEU 19 N 2.05 2.32 0.03 1.53 1.43 -0.84 -4.88 118.68 120.33 2qi9 s LEU 19 Ca 0.95 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2qi9 s LEU 19 Cb -1.35 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2qi9 s LEU 19 CO 0.71 -0.15 0.01 -0.44 0.23 0.00 0.00 176.35 176.70 2qi9 s SER 20 N -1.99 0.29 0.00 2.29 0.01 -1.26 -1.33 113.70 111.70 2qi9 s SER 20 Ca 0.00 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2qi9 s SER 20 Cb -0.07 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2qi9 s SER 20 CO 0.02 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2qi9 n GLY 21 N 0.97 -0.29 3.15 3.44 0.00 -0.80 -4.97 105.19 106.69 2qi9 n GLY 21 Ca -0.20 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 2qi9 n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qi9 s GLU 22 N -2.00 0.78 -0.16 1.61 2.02 -1.26 -1.11 118.70 118.58 2qi9 s GLU 22 Ca 0.00 -1.13 0.01 0.00 0.02 0.00 0.00 54.97 53.87 2qi9 s GLU 22 Cb 0.00 -0.38 0.01 0.00 0.10 0.00 0.00 34.13 33.86 2qi9 s GLU 22 CO 0.00 0.04 -0.18 0.08 0.02 0.00 0.00 175.26 175.22 2qi9 s VAL 23 N -2.60 2.38 -0.07 2.63 1.01 -1.26 -5.00 120.40 117.49 2qi9 s VAL 23 Ca 0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 2qi9 s VAL 23 Cb -0.02 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2qi9 s VAL 23 CO -0.01 0.53 0.19 -0.13 0.00 0.00 0.00 175.10 175.67 2qi9 s ARG 24 N 0.93 3.49 0.44 2.72 0.52 -1.26 -0.08 118.95 125.72 2qi9 s ARG 24 Ca -0.04 -0.12 -0.25 0.00 -0.52 0.00 0.00 55.73 54.80 2qi9 s ARG 24 Cb -0.15 -3.16 -0.09 0.00 0.52 0.00 0.00 34.95 32.08 2qi9 s ARG 24 CO -0.03 0.73 1.39 0.00 0.02 0.00 0.00 175.30 177.41 2qi9 n ALA 25 N 1.63 1.83 -0.88 2.13 0.00 0.31 -2.39 120.51 123.14 2qi9 n ALA 25 Ca -0.16 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2qi9 n ALA 25 Cb 0.54 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2qi9 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qi9 n GLY 26 N 0.65 0.62 3.68 0.00 0.00 -0.82 -4.88 105.19 104.44 2qi9 n GLY 26 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2qi9 n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qi9 s GLU 27 N -0.37 2.82 -0.29 1.61 2.02 -1.01 -4.62 118.70 118.86 2qi9 s GLU 27 Ca 0.00 -0.58 -0.13 0.00 0.02 0.00 0.00 54.97 54.28 2qi9 s GLU 27 Cb 0.00 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 2qi9 s GLU 27 CO 0.00 0.64 0.28 0.42 0.02 0.00 0.00 175.26 176.62 2qi9 s ILE 28 N -1.06 5.24 -0.15 -1.63 1.01 -1.26 -1.53 121.20 121.82 2qi9 s ILE 28 Ca 0.19 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 61.07 2qi9 s ILE 28 Cb -0.11 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2qi9 s ILE 28 CO 0.09 0.14 -0.09 -0.22 0.00 0.00 0.00 174.94 174.86 2qi9 s LEU 29 N 1.90 2.86 -0.01 2.97 2.96 0.25 -1.09 118.68 128.53 2qi9 s LEU 29 Ca 0.10 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2qi9 s LEU 29 Cb -0.16 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2qi9 s LEU 29 CO 0.11 0.13 0.07 -1.00 -1.32 0.00 0.00 176.35 174.33 2qi9 s HIS 30 N 0.59 3.26 -0.23 5.38 3.76 -0.84 -4.03 115.29 123.17 2qi9 s HIS 30 Ca -0.06 0.19 -0.08 0.00 -0.15 0.00 0.00 55.06 54.97 2qi9 s HIS 30 Cb -0.15 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 2qi9 s HIS 30 CO 0.03 0.54 0.08 -0.51 -0.85 0.00 0.00 174.74 174.03 2qi9 s LEU 31 N -1.69 3.61 0.06 0.89 1.43 -1.26 -1.16 118.68 120.55 2qi9 s LEU 31 Ca 0.22 -0.10 0.09 0.00 -1.03 0.00 0.00 54.13 53.31 2qi9 s LEU 31 Cb -0.12 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2qi9 s LEU 31 CO 0.13 0.03 -0.25 -0.69 0.23 0.00 0.00 176.35 175.80 2qi9 s VAL 32 N 1.26 2.01 0.00 -1.59 1.01 0.08 -0.71 120.40 122.47 2qi9 s VAL 32 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.64 2qi9 s VAL 32 Cb -0.15 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2qi9 s VAL 32 CO 0.04 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2qi9 n GLY 33 N 1.67 2.66 3.70 4.51 0.00 -1.26 0.09 105.19 116.57 2qi9 n GLY 33 Ca -0.17 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 2qi9 n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qi9 s PRO 34 N -2.07 0.32 0.34 1.61 0.04 -1.26 -4.89 135.00 129.10 2qi9 s PRO 34 Ca 0.00 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.05 2qi9 s PRO 34 Cb 0.00 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 2qi9 s PRO 34 CO 0.00 -2.75 1.46 0.09 0.04 0.00 0.00 177.00 175.84 2qi9 n ASN 35 N -4.15 3.48 0.00 6.66 3.02 -1.26 -1.72 115.26 121.29 2qi9 n ASN 35 Ca 0.07 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.82 2qi9 n ASN 35 Cb 0.58 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 2qi9 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qi9 n GLY 36 N 1.10 0.76 0.18 7.41 0.00 -1.26 -4.90 105.19 108.48 2qi9 n GLY 36 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 2qi9 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi9 h ALA 37 N 0.00 1.00 0.00 4.61 0.00 -1.68 -3.34 119.26 119.85 2qi9 h ALA 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qi9 h ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qi9 h ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2qi9 n GLY 38 N 0.18 0.93 0.18 0.00 0.00 -1.26 -0.02 105.19 105.19 2qi9 n GLY 38 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2qi9 n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qi9 h LYS 39 N 0.36 0.55 -0.06 1.61 1.57 -1.92 -1.65 116.57 117.04 2qi9 h LYS 39 Ca 0.00 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2qi9 h LYS 39 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2qi9 h LYS 39 CO 0.00 0.82 0.03 0.77 -0.57 0.00 0.00 179.45 180.50 2qi9 h SER 40 N 0.27 0.07 -0.76 0.86 0.02 -2.00 -1.26 113.55 110.75 2qi9 h SER 40 Ca 0.05 -0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2qi9 h SER 40 Cb 0.66 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.12 2qi9 h SER 40 CO 0.04 0.14 0.41 0.74 -1.14 0.00 0.00 176.83 177.03 2qi9 h THR 41 N -0.01 0.89 -0.28 -2.27 2.02 -1.96 -1.48 112.91 109.81 2qi9 h THR 41 Ca 0.02 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 2qi9 h THR 41 Cb 0.09 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2qi9 h THR 41 CO -0.00 0.13 0.01 0.25 0.37 0.00 0.00 175.52 176.27 2qi9 h LEU 42 N 0.70 0.47 -0.30 2.58 5.85 -1.07 -2.09 115.31 121.46 2qi9 h LEU 42 Ca 0.37 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2qi9 h LEU 42 Cb 0.35 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2qi9 h LEU 42 CO -0.25 0.66 0.19 -0.07 -0.34 0.00 0.00 178.44 178.62 2qi9 h LEU 43 N 0.27 0.35 -1.37 2.25 3.38 -0.74 -2.19 115.31 117.27 2qi9 h LEU 43 Ca 0.08 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2qi9 h LEU 43 Cb 0.41 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2qi9 h LEU 43 CO 0.01 0.28 0.47 0.00 0.09 0.00 0.00 178.44 179.29 2qi9 h ALA 44 N 1.09 1.65 0.00 1.53 0.00 -1.26 -1.79 119.26 120.47 2qi9 h ALA 44 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qi9 h ALA 44 Cb -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2qi9 h ALA 44 CO -0.02 0.26 0.00 -2.13 0.00 0.00 0.00 179.25 177.36 2qi9 n ARG 45 N -4.47 0.45 0.00 0.00 3.00 -0.79 -2.78 116.66 112.07 2qi9 n ARG 45 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 2qi9 n ARG 45 Cb 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.35 2qi9 n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qi9 n ALA 47 N 0.89 0.00 -1.43 5.13 0.00 -0.68 -4.69 120.51 119.74 2qi9 n ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qi9 n ALA 47 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2qi9 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qi9 n GLY 48 N 0.03 -0.25 0.27 0.00 0.00 -1.12 -5.05 105.19 99.07 2qi9 n GLY 48 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 2qi9 n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qi9 n THR 50 N -0.95 0.00 -4.03 2.61 -1.04 -1.20 -5.13 114.28 104.55 2qi9 n THR 50 Ca 0.00 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2qi9 n THR 50 Cb 0.48 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.90 2qi9 n THR 50 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2qi9 s SER 51 N -0.09 0.19 0.00 8.00 1.04 -1.26 -4.75 113.70 116.83 2qi9 s SER 51 Ca 0.03 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2qi9 s SER 51 Cb 0.01 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2qi9 s SER 51 CO 0.06 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2qi9 n GLY 52 N -0.12 -0.57 3.75 7.32 0.00 -1.26 -5.06 105.19 109.25 2qi9 n GLY 52 Ca -0.08 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2qi9 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qi9 s LYS 53 N -1.09 3.08 0.00 1.61 -0.14 -0.88 -4.84 119.74 117.47 2qi9 s LYS 53 Ca 0.00 2.13 0.00 0.00 -1.36 0.00 0.00 55.97 56.74 2qi9 s LYS 53 Cb 0.00 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.98 2qi9 s LYS 53 CO 0.00 -1.21 0.00 0.41 -0.76 0.00 0.00 175.35 173.79 2qi9 n GLY 54 N 0.71 -0.95 3.33 -3.33 0.00 -1.20 -1.34 105.19 102.40 2qi9 n GLY 54 Ca 0.11 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 2qi9 n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qi9 s SER 55 N -2.96 2.88 -0.03 1.61 1.04 -0.70 -4.82 113.70 110.72 2qi9 s SER 55 Ca 0.00 -0.68 0.04 0.00 0.48 0.00 0.00 55.95 55.78 2qi9 s SER 55 Cb 0.00 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 2qi9 s SER 55 CO 0.00 0.13 -0.14 -0.63 0.98 0.00 0.00 173.24 173.59 2qi9 s ILE 56 N -1.05 1.14 -0.16 -1.02 1.01 -1.26 -0.89 121.20 118.98 2qi9 s ILE 56 Ca 0.10 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.19 2qi9 s ILE 56 Cb -0.10 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.39 2qi9 s ILE 56 CO 0.04 0.34 -0.18 -1.10 0.00 0.00 0.00 174.94 174.04 2qi9 s GLN 57 N 0.02 3.13 -0.22 2.79 1.11 0.84 -0.95 119.66 126.39 2qi9 s GLN 57 Ca -0.02 -0.79 -0.04 0.00 0.01 0.00 0.00 55.36 54.53 2qi9 s GLN 57 Cb -0.09 -2.57 -0.01 0.00 -1.01 0.00 0.00 33.01 29.33 2qi9 s GLN 57 CO 0.01 -0.03 -0.05 0.12 0.01 0.00 0.00 175.29 175.36 2qi9 s PHE 58 N 0.89 2.95 -1.44 0.91 5.36 -0.09 -1.19 117.98 125.38 2qi9 s PHE 58 Ca -0.04 -0.93 -0.09 0.00 -0.96 0.00 0.00 56.93 54.91 2qi9 s PHE 58 Cb -0.15 -2.10 0.03 0.00 -0.34 0.00 0.00 43.02 40.46 2qi9 s PHE 58 CO -0.02 -0.54 1.00 0.00 -1.46 0.00 0.00 175.22 174.20 2qi9 n ALA 59 N 4.75 -1.23 0.00 11.12 0.00 -0.16 -2.28 120.51 132.71 2qi9 n ALA 59 Ca -0.18 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2qi9 n ALA 59 Cb 0.51 -4.88 0.00 0.00 0.00 0.00 0.00 19.45 15.08 2qi9 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qi9 n GLY 60 N -1.81 3.15 3.61 0.00 0.00 -1.26 -5.02 105.19 103.85 2qi9 n GLY 60 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2qi9 n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qi9 s GLN 61 N -0.34 2.81 0.33 1.61 -1.52 -0.97 -5.02 119.66 116.55 2qi9 s GLN 61 Ca 0.00 -0.51 -0.28 0.00 -1.95 0.00 0.00 55.36 52.61 2qi9 s GLN 61 Cb 0.00 -2.65 -0.12 0.00 -0.22 0.00 0.00 33.01 30.02 2qi9 s GLN 61 CO 0.00 0.67 1.30 -0.35 -0.25 0.00 0.00 175.29 176.66 2qi9 n PRO 62 N 2.17 2.10 -0.34 2.91 -0.04 -1.26 -0.91 135.00 139.63 2qi9 n PRO 62 Ca -0.18 0.74 0.18 0.00 -0.04 0.00 0.00 63.50 64.20 2qi9 n PRO 62 Cb 0.53 -2.32 0.39 0.00 -0.04 0.00 0.00 33.50 32.06 2qi9 n PRO 62 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2qi9 h LEU 63 N 2.73 0.64 -2.68 1.53 5.85 -1.38 0.13 115.31 122.13 2qi9 h LEU 63 Ca -0.46 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 2qi9 h LEU 63 Cb 1.28 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 2qi9 h LEU 63 CO 0.64 0.07 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.47 2qi9 h GLU 64 N 0.54 0.00 -0.00 1.25 3.07 -1.88 -1.42 114.58 116.13 2qi9 h GLU 64 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 2qi9 h GLU 64 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2qi9 h GLU 64 CO -0.50 0.01 -0.14 0.00 -1.40 0.00 0.00 179.01 176.99 2qi9 n ALA 65 N -2.13 2.75 -2.30 3.43 0.00 0.45 -4.85 120.51 117.86 2qi9 n ALA 65 Ca -0.03 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.86 2qi9 n ALA 65 Cb 0.11 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 2qi9 n ALA 65 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qi9 s TRP 66 N -2.73 3.48 0.08 0.00 0.52 -0.54 -5.04 118.94 114.71 2qi9 s TRP 66 Ca 0.21 1.06 -0.07 0.00 0.02 0.00 0.00 56.10 57.32 2qi9 s TRP 66 Cb 0.19 -2.39 -0.05 0.00 -1.15 0.00 0.00 33.47 30.07 2qi9 s TRP 66 CO 0.53 0.27 0.36 -1.54 0.02 0.00 0.00 176.95 176.59 2qi9 s SER 67 N -2.11 6.55 0.32 2.95 1.04 -1.26 -4.96 113.70 116.23 2qi9 s SER 67 Ca 0.46 0.66 0.10 0.00 0.48 0.00 0.00 55.95 57.65 2qi9 s SER 67 Cb -0.12 -2.12 0.91 0.00 0.10 0.00 0.00 66.02 64.78 2qi9 s SER 67 CO 0.20 0.16 1.70 0.00 0.98 0.00 0.00 173.24 176.27 2qi9 h ALA 68 N 3.50 1.76 -0.46 5.32 0.00 -1.98 -0.04 119.26 127.36 2qi9 h ALA 68 Ca -0.48 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2qi9 h ALA 68 Cb 1.18 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2qi9 h ALA 68 CO 0.68 -0.38 0.12 1.15 0.00 0.00 0.00 179.25 180.83 2qi9 h THR 69 N 0.46 1.23 -0.01 0.00 2.02 -2.00 -2.44 112.91 112.17 2qi9 h THR 69 Ca 0.65 -0.80 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 2qi9 h THR 69 Cb 1.32 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 2qi9 h THR 69 CO -0.53 0.28 -0.60 0.50 0.37 0.00 0.00 175.52 175.54 2qi9 h LYS 70 N 0.61 0.05 -0.25 6.66 3.64 -1.46 -3.09 116.57 122.74 2qi9 h LYS 70 Ca 0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2qi9 h LYS 70 Cb 0.30 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2qi9 h LYS 70 CO -0.00 0.64 0.12 -0.07 -2.27 0.00 0.00 179.45 177.87 2qi9 h LEU 71 N 0.04 0.32 -1.58 5.20 3.38 -1.02 -2.26 115.31 119.38 2qi9 h LEU 71 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qi9 h LEU 71 Cb 1.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2qi9 h LEU 71 CO 0.08 0.34 0.21 0.00 0.09 0.00 0.00 178.44 179.16 2qi9 h ALA 72 N 0.99 1.17 0.08 1.53 0.00 -1.35 0.35 119.26 122.03 2qi9 h ALA 72 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 2qi9 h ALA 72 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2qi9 h ALA 72 CO -0.01 -0.17 -1.91 1.28 0.00 0.00 0.00 179.25 178.43 2qi9 n LEU 73 N -2.47 2.02 0.03 0.00 4.77 -0.86 -4.39 117.00 116.10 2qi9 n LEU 73 Ca -0.02 0.27 0.11 0.00 -0.03 0.00 0.00 56.01 56.35 2qi9 n LEU 73 Cb 0.25 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 2qi9 n LEU 73 CO 0.11 0.70 -0.36 1.41 -1.33 0.00 0.00 177.39 177.91 2qi9 n HIS 74 N -3.32 0.33 -4.05 -1.77 8.25 -0.59 -3.19 115.22 110.87 2qi9 n HIS 74 Ca -0.27 0.09 -0.13 0.00 -0.26 0.00 0.00 57.72 57.16 2qi9 n HIS 74 Cb 1.05 -0.59 -0.13 0.00 1.12 0.00 0.00 29.99 31.44 2qi9 n HIS 74 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qi9 s ARG 75 N -3.39 0.38 0.02 -0.41 3.00 0.11 -0.77 118.95 117.89 2qi9 s ARG 75 Ca -0.03 -0.45 0.05 0.00 -1.00 0.00 0.00 55.73 54.30 2qi9 s ARG 75 Cb 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 34.95 34.85 2qi9 s ARG 75 CO 0.85 0.04 -0.14 0.00 0.00 0.00 0.00 175.30 176.05 2qi9 s ALA 76 N -0.83 1.20 -0.02 6.12 0.00 -0.45 -4.21 121.76 123.57 2qi9 s ALA 76 Ca -0.06 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2qi9 s ALA 76 Cb -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 2qi9 s ALA 76 CO -0.00 0.26 -0.08 -0.47 0.00 0.00 0.00 175.76 175.46 2qi9 s TYR 77 N -0.64 0.81 -0.24 0.00 5.04 -1.26 -0.99 117.35 120.07 2qi9 s TYR 77 Ca 0.03 -0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.49 2qi9 s TYR 77 Cb -0.07 -0.56 0.07 0.00 0.35 0.00 0.00 41.96 41.74 2qi9 s TYR 77 CO 0.01 -0.06 -0.03 -1.17 -1.34 0.00 0.00 175.55 172.96 2qi9 s LEU 78 N 0.04 2.56 0.94 6.97 0.20 -0.35 -5.00 118.68 124.04 2qi9 s LEU 78 Ca -0.00 -1.24 -0.12 0.00 0.69 0.00 0.00 54.13 53.46 2qi9 s LEU 78 Cb -0.06 -1.14 0.15 0.00 -0.43 0.00 0.00 46.19 44.72 2qi9 s LEU 78 CO -0.00 -0.26 1.12 -0.94 -0.29 0.00 0.00 176.35 175.98 2qi9 s SER 79 N 1.42 3.25 0.34 3.68 1.04 -1.26 -1.35 113.70 120.82 2qi9 s SER 79 Ca -0.03 1.07 0.17 0.00 0.48 0.00 0.00 55.95 57.64 2qi9 s SER 79 Cb -0.19 -1.69 0.47 0.00 0.10 0.00 0.00 66.02 64.71 2qi9 s SER 79 CO -0.08 -2.73 1.63 0.06 0.98 0.00 0.00 173.24 173.11 2qi9 h GLN 80 N -1.62 0.00 -3.72 4.02 3.07 -1.92 -3.43 115.11 111.51 2qi9 h GLN 80 Ca -0.52 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.02 2qi9 h GLN 80 Cb 1.33 0.00 -0.25 0.00 0.08 0.00 0.00 27.48 28.63 2qi9 h GLN 80 CO 0.60 0.44 -0.67 -1.14 0.09 0.00 0.00 178.83 178.16 2qi9 s GLN 81 N -3.39 0.15 -0.26 0.06 0.74 -1.26 -5.00 119.66 110.71 2qi9 s GLN 81 Ca 0.01 -0.17 -0.05 0.00 0.05 0.00 0.00 55.36 55.20 2qi9 s GLN 81 Cb 0.10 0.06 0.14 0.00 1.10 0.00 0.00 33.01 34.41 2qi9 s GLN 81 CO 0.71 -0.03 0.50 -0.65 -0.55 0.00 0.00 175.29 175.28 2qi9 s GLN 82 N -0.50 0.45 0.12 1.67 -0.21 -1.26 -5.12 119.66 114.80 2qi9 s GLN 82 Ca -0.06 0.99 -0.32 0.00 0.02 0.00 0.00 55.36 56.00 2qi9 s GLN 82 Cb -0.04 0.30 -0.11 0.00 1.00 0.00 0.00 33.01 34.16 2qi9 s GLN 82 CO -0.00 -0.44 1.80 2.41 -2.12 0.00 0.00 175.29 176.94 2qi9 n THR 83 N 5.41 0.31 -1.87 -0.19 -1.04 -1.26 -4.90 114.28 110.74 2qi9 n THR 83 Ca -0.06 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.05 61.49 2qi9 n THR 83 Cb 0.50 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 2qi9 n THR 83 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2qi9 s PRO 84 N 2.48 4.00 0.45 -2.82 0.04 -1.26 -4.96 135.00 132.93 2qi9 s PRO 84 Ca 0.82 2.44 -0.24 0.00 0.04 0.00 0.00 61.00 64.06 2qi9 s PRO 84 Cb -0.52 -2.87 -0.07 0.00 0.04 0.00 0.00 34.50 31.08 2qi9 s PRO 84 CO 0.38 -0.57 1.24 -1.25 0.04 0.00 0.00 177.00 176.84 2qi9 s PRO 85 N -2.18 3.74 0.27 0.56 0.04 -1.26 -4.86 135.00 131.31 2qi9 s PRO 85 Ca 0.55 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 63.37 2qi9 s PRO 85 Cb -0.44 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.50 2qi9 s PRO 85 CO 0.58 -0.62 0.75 -0.59 0.04 0.00 0.00 177.00 177.17 2qi9 s PHE 86 N -1.41 3.54 -0.84 0.56 -0.12 -1.26 -3.88 117.98 114.57 2qi9 s PHE 86 Ca 0.62 1.37 0.00 0.00 -0.05 0.00 0.00 56.93 58.87 2qi9 s PHE 86 Cb -0.34 -2.62 0.00 0.00 -0.63 0.00 0.00 43.02 39.43 2qi9 s PHE 86 CO 0.41 0.22 0.00 0.00 -0.05 0.00 0.00 175.22 175.81 2qi9 n ALA 87 N 0.28 -0.12 -2.65 1.99 0.00 -1.26 -4.95 120.51 113.80 2qi9 n ALA 87 Ca 0.00 0.13 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 2qi9 n ALA 87 Cb 0.52 -1.50 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 2qi9 n ALA 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qi9 s THR 88 N -1.58 5.30 0.28 0.00 2.01 -1.26 -4.97 115.64 115.42 2qi9 s THR 88 Ca 0.00 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.05 2qi9 s THR 88 Cb 0.00 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 2qi9 s THR 88 CO 0.00 0.29 1.09 -2.16 -0.69 0.00 0.00 174.62 173.16 2qi9 s PRO 89 N 1.29 4.64 0.25 4.92 0.04 -1.26 -0.65 135.00 144.23 2qi9 s PRO 89 Ca 0.11 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 2qi9 s PRO 89 Cb -0.14 -3.18 0.34 0.00 0.04 0.00 0.00 34.50 31.55 2qi9 s PRO 89 CO 0.07 0.22 1.51 0.28 0.04 0.00 0.00 177.00 179.11 2qi9 n VAL 90 N 1.18 -0.46 0.06 -0.36 0.31 0.75 -0.30 118.33 119.52 2qi9 n VAL 90 Ca -0.01 2.24 0.05 0.00 -0.01 0.00 0.00 64.34 66.61 2qi9 n VAL 90 Cb 0.45 -3.03 0.47 0.00 -0.91 0.00 0.00 33.84 30.81 2qi9 n VAL 90 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 2qi9 h TRP 91 N 0.00 0.39 -0.20 3.52 5.08 -1.47 -1.77 115.95 121.50 2qi9 h TRP 91 Ca 0.40 0.01 -0.16 0.00 1.08 0.00 0.00 58.89 60.22 2qi9 h TRP 91 Cb 0.64 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 26.68 2qi9 h TRP 91 CO -0.80 0.26 -0.49 1.25 -1.28 0.00 0.00 178.44 177.38 2qi9 h HIS 92 N 0.42 0.87 -0.79 0.12 2.76 -0.93 -2.20 115.15 115.40 2qi9 h HIS 92 Ca 0.11 -0.33 0.05 0.00 -2.20 0.00 0.00 60.37 58.00 2qi9 h HIS 92 Cb -0.02 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 28.73 2qi9 h HIS 92 CO 0.00 1.12 0.52 -0.92 -1.30 0.00 0.00 177.93 177.35 2qi9 h TYR 93 N 0.38 0.89 -0.11 5.26 3.20 -0.69 -2.20 116.97 123.69 2qi9 h TYR 93 Ca -0.01 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.66 2qi9 h TYR 93 Cb 1.10 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 39.09 2qi9 h TYR 93 CO 0.09 0.48 -0.80 -0.07 -1.64 0.00 0.00 178.16 176.22 2qi9 h LEU 94 N 0.89 0.90 -0.76 2.82 3.38 -1.23 -3.28 115.31 118.03 2qi9 h LEU 94 Ca 0.33 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 2qi9 h LEU 94 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2qi9 h LEU 94 CO -0.11 1.42 0.33 0.71 0.09 0.00 0.00 178.44 180.88 2qi9 h THR 95 N 0.45 1.25 0.00 0.22 1.35 -0.99 -1.64 112.91 113.55 2qi9 h THR 95 Ca -0.07 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2qi9 h THR 95 Cb 1.44 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2qi9 h THR 95 CO 0.16 0.31 0.15 -0.07 -0.25 0.00 0.00 175.52 175.82 2qi9 h LEU 96 N 1.08 0.00 -0.18 3.87 3.38 -1.46 0.21 115.31 122.21 2qi9 h LEU 96 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2qi9 h LEU 96 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2qi9 h LEU 96 CO -0.03 0.00 -0.67 1.41 0.09 0.00 0.00 178.44 179.24 2qi9 n HIS 97 N -2.49 0.00 -3.28 1.13 8.25 -0.62 -4.91 115.22 113.31 2qi9 n HIS 97 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 2qi9 n HIS 97 Cb 0.19 -0.10 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 2qi9 n HIS 97 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2qi9 s GLN 98 N -2.88 4.32 0.13 -0.41 -0.21 0.73 -3.23 119.66 118.11 2qi9 s GLN 98 Ca 0.12 0.55 0.01 0.00 0.02 0.00 0.00 55.36 56.06 2qi9 s GLN 98 Cb 0.17 -3.40 -0.11 0.00 1.00 0.00 0.00 33.01 30.67 2qi9 s GLN 98 CO 0.73 0.23 1.30 0.45 -2.12 0.00 0.00 175.29 175.88 2qi9 h HIS 99 N 6.37 0.31 -3.47 0.91 3.86 -1.85 -3.36 115.15 117.92 2qi9 h HIS 99 Ca -0.43 -0.19 -0.69 0.00 -1.16 0.00 0.00 60.37 57.90 2qi9 h HIS 99 Cb 1.19 -0.03 -0.37 0.00 1.06 0.00 0.00 27.41 29.27 2qi9 h HIS 99 CO 0.64 1.06 -0.38 0.34 0.86 0.00 0.00 177.93 180.45 2qi9 s ASP 100 N -6.96 5.17 0.00 2.45 -1.08 -1.26 -4.93 116.67 110.06 2qi9 s ASP 100 Ca -0.03 -3.06 0.01 0.00 -0.52 0.00 0.00 52.55 48.96 2qi9 s ASP 100 Cb 0.09 -1.82 0.07 0.00 -1.46 0.00 0.00 42.92 39.80 2qi9 s ASP 100 CO 0.84 -0.31 0.51 0.29 0.52 0.00 0.00 175.17 177.03 2qi9 n LYS 101 N 3.18 0.45 -0.07 4.34 5.02 -1.26 -2.64 118.16 127.18 2qi9 n LYS 101 Ca 0.10 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.25 2qi9 n LYS 101 Cb 0.37 -1.04 -0.13 0.00 -0.02 0.00 0.00 35.03 34.21 2qi9 n LYS 101 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2qi9 h THR 102 N 0.00 1.78 -0.09 -0.18 2.02 -1.95 -3.42 112.91 111.07 2qi9 h THR 102 Ca 0.00 -2.30 -0.01 0.00 0.77 0.00 0.00 66.41 64.87 2qi9 h THR 102 Cb 0.00 3.34 -0.00 0.00 -1.74 0.00 0.00 68.15 69.75 2qi9 h THR 102 CO 0.00 0.60 0.27 0.54 0.37 0.00 0.00 175.52 177.30 2qi9 n ARG 103 N -4.62 0.12 0.09 6.66 5.12 -1.08 -4.64 116.66 118.31 2qi9 n ARG 103 Ca -0.10 -1.21 -0.02 0.00 -1.93 0.00 0.00 57.85 54.60 2qi9 n ARG 103 Cb 0.47 -3.23 -0.05 0.00 -1.16 0.00 0.00 32.46 28.49 2qi9 n ARG 103 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2qi9 h THR 104 N 6.89 1.10 -0.10 0.55 2.02 -1.89 -3.19 112.91 118.29 2qi9 h THR 104 Ca 0.00 -2.62 -0.01 0.00 0.77 0.00 0.00 66.41 64.56 2qi9 h THR 104 Cb 1.00 2.51 -0.00 0.00 -1.74 0.00 0.00 68.15 69.92 2qi9 h THR 104 CO 1.02 0.62 0.04 -0.33 0.37 0.00 0.00 175.52 177.24 2qi9 h GLU 105 N 0.00 0.15 -0.07 6.66 3.07 -1.99 -2.16 114.58 120.24 2qi9 h GLU 105 Ca -0.04 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 2qi9 h GLU 105 Cb 1.58 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 29.41 2qi9 h GLU 105 CO 0.08 0.28 -0.24 -0.07 -1.40 0.00 0.00 179.01 177.67 2qi9 h LEU 106 N -0.01 -0.73 -0.97 1.33 3.38 -1.95 0.64 115.31 117.00 2qi9 h LEU 106 Ca 0.03 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2qi9 h LEU 106 Cb 0.19 0.31 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 2qi9 h LEU 106 CO -0.00 -0.30 -0.58 0.25 0.09 0.00 0.00 178.44 177.90 2qi9 h LEU 107 N -0.34 -2.12 -0.48 1.67 7.12 -1.50 0.23 115.31 119.90 2qi9 h LEU 107 Ca 0.08 0.32 -0.01 0.00 0.13 0.00 0.00 57.88 58.41 2qi9 h LEU 107 Cb 0.46 0.94 -0.02 0.00 -0.53 0.00 0.00 40.66 41.50 2qi9 h LEU 107 CO -0.26 -0.24 0.27 0.78 -0.13 0.00 0.00 178.44 178.86 2qi9 h ASN 108 N -0.02 0.59 -0.01 1.25 2.35 -0.62 -0.48 115.58 118.63 2qi9 h ASN 108 Ca 0.16 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2qi9 h ASN 108 Cb 0.43 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 2qi9 h ASN 108 CO -0.92 0.50 -0.15 0.44 -1.65 0.00 0.00 177.43 175.65 2qi9 h ASP 109 N 0.64 -0.43 -0.57 5.81 3.32 0.26 0.39 116.42 125.83 2qi9 h ASP 109 Ca 0.17 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2qi9 h ASP 109 Cb 0.03 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2qi9 h ASP 109 CO -0.03 -0.20 0.27 0.58 -1.72 0.00 0.00 179.24 178.14 2qi9 h VAL 110 N -0.24 1.21 -0.58 -1.35 2.07 -0.58 0.17 116.25 116.95 2qi9 h VAL 110 Ca 0.05 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.02 2qi9 h VAL 110 Cb 0.31 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2qi9 h VAL 110 CO -0.15 0.24 0.34 0.00 0.02 0.00 0.00 177.57 178.01 2qi9 h ALA 111 N 1.11 0.75 -0.40 1.67 0.00 -0.66 -2.42 119.26 119.30 2qi9 h ALA 111 Ca 0.20 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2qi9 h ALA 111 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2qi9 h ALA 111 CO -0.02 0.04 0.08 0.78 0.00 0.00 0.00 179.25 180.13 2qi9 h GLY 112 N 0.65 0.70 0.86 0.00 0.00 0.41 0.38 103.07 106.07 2qi9 h GLY 112 Ca 0.24 -0.45 0.14 0.00 0.00 0.00 0.00 47.33 47.26 2qi9 h GLY 112 CO -0.12 0.42 0.43 0.00 0.00 0.00 0.00 176.54 177.27 2qi9 h ALA 113 N 0.94 2.29 -0.43 3.60 0.00 -0.31 0.20 119.26 125.55 2qi9 h ALA 113 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qi9 h ALA 113 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2qi9 h ALA 113 CO 0.00 -0.46 0.01 1.28 0.00 0.00 0.00 179.25 180.09 2qi9 n LEU 114 N -4.43 4.90 -3.54 0.00 4.77 -0.95 -4.88 117.00 112.86 2qi9 n LEU 114 Ca 0.11 -3.00 -0.26 0.00 -0.03 0.00 0.00 56.01 52.84 2qi9 n LEU 114 Cb 0.54 -0.62 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2qi9 n LEU 114 CO 0.35 0.66 -0.03 0.00 -1.33 0.00 0.00 177.39 177.04 2qi9 n ALA 115 N 0.05 -2.54 -0.38 -1.18 0.00 0.71 -4.93 120.51 112.23 2qi9 n ALA 115 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2qi9 n ALA 115 Cb 1.07 -4.34 0.00 0.00 0.00 0.00 0.00 19.45 16.18 2qi9 n ALA 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qi9 n LEU 116 N -3.77 0.95 -0.25 0.00 4.77 0.13 -4.85 117.00 113.97 2qi9 n LEU 116 Ca -0.09 -0.95 0.04 0.00 -0.03 0.00 0.00 56.01 54.98 2qi9 n LEU 116 Cb 0.60 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.82 2qi9 n LEU 116 CO 0.64 0.24 0.80 0.44 -1.33 0.00 0.00 177.39 178.18 2qi9 h ASP 117 N 0.00 -0.42 -0.18 -1.43 3.32 -1.88 0.13 116.42 115.96 2qi9 h ASP 117 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2qi9 h ASP 117 Cb 0.46 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2qi9 h ASP 117 CO 0.00 -0.19 0.00 -0.90 -1.72 0.00 0.00 179.24 176.43 2qi9 n ASP 118 N -5.37 1.58 0.00 6.45 5.75 -1.26 -3.82 116.55 119.88 2qi9 n ASP 118 Ca 0.12 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 2qi9 n ASP 118 Cb 0.43 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 2qi9 n ASP 118 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qi9 n LYS 119 N 0.12 0.46 0.29 0.11 5.02 0.43 -4.75 118.16 119.86 2qi9 n LYS 119 Ca 0.07 -0.64 0.18 0.00 -2.02 0.00 0.00 58.31 55.90 2qi9 n LYS 119 Cb 0.31 -0.78 0.99 0.00 -0.02 0.00 0.00 35.03 35.53 2qi9 n LYS 119 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qi9 h LEU 120 N 0.00 0.00 0.03 -0.35 3.38 -1.62 -2.44 115.31 114.32 2qi9 h LEU 120 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2qi9 h LEU 120 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2qi9 h LEU 120 CO 0.00 0.00 -1.42 1.23 0.09 0.00 0.00 178.44 178.34 2qi9 h GLY 121 N 0.00 0.07 -1.28 0.83 0.00 -1.88 -1.21 103.07 99.60 2qi9 h GLY 121 Ca 0.02 -0.19 -0.52 0.00 0.00 0.00 0.00 47.33 46.64 2qi9 h GLY 121 CO -0.00 0.16 0.25 0.50 0.00 0.00 0.00 176.54 177.46 2qi9 s ARG 122 N -2.64 1.39 0.08 4.80 0.52 -0.92 -4.60 118.95 117.57 2qi9 s ARG 122 Ca -0.04 1.43 -0.08 0.00 -0.52 0.00 0.00 55.73 56.52 2qi9 s ARG 122 Cb 0.08 -1.78 -0.06 0.00 0.52 0.00 0.00 34.95 33.72 2qi9 s ARG 122 CO 0.83 -2.34 0.37 -1.54 0.02 0.00 0.00 175.30 172.64 2qi9 s SER 123 N -2.89 6.57 0.65 0.23 1.04 -1.26 -0.18 113.70 117.86 2qi9 s SER 123 Ca 0.65 0.69 0.20 0.00 0.48 0.00 0.00 55.95 57.97 2qi9 s SER 123 Cb -0.21 -2.14 1.04 0.00 0.10 0.00 0.00 66.02 64.82 2qi9 s SER 123 CO 0.57 0.16 1.58 0.71 0.98 0.00 0.00 173.24 177.24 2qi9 h THR 124 N 2.69 0.04 0.00 2.02 1.35 -1.11 0.39 112.91 118.29 2qi9 h THR 124 Ca -0.48 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.31 2qi9 h THR 124 Cb 1.19 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 2qi9 h THR 124 CO 0.68 0.00 -0.41 0.78 -0.25 0.00 0.00 175.52 176.32 2qi9 h ASN 125 N 0.00 0.00 -0.42 5.36 2.35 -1.82 -3.29 115.58 117.76 2qi9 h ASN 125 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2qi9 h ASN 125 Cb 1.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 2qi9 h ASN 125 CO -0.00 0.30 0.02 0.00 -1.65 0.00 0.00 177.43 176.10 2qi9 n GLN 126 N -3.13 3.74 -4.01 0.81 6.02 0.14 -4.95 117.38 116.00 2qi9 n GLN 126 Ca 0.02 -2.26 -0.24 0.00 -0.01 0.00 0.00 57.00 54.51 2qi9 n GLN 126 Cb 0.66 -2.05 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 2qi9 n GLN 126 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2qi9 s LEU 127 N -1.99 4.15 0.68 1.08 1.43 -1.24 -4.93 118.68 117.86 2qi9 s LEU 127 Ca 0.39 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2qi9 s LEU 127 Cb 0.30 -2.71 0.05 0.00 0.03 0.00 0.00 46.19 43.86 2qi9 s LEU 127 CO 0.11 0.00 0.98 -0.94 0.23 0.00 0.00 176.35 176.74 2qi9 s SER 128 N -3.53 4.94 0.24 2.29 1.04 -1.26 -4.83 113.70 112.59 2qi9 s SER 128 Ca 0.33 0.44 -0.05 0.00 0.48 0.00 0.00 55.95 57.16 2qi9 s SER 128 Cb -0.10 -1.15 0.38 0.00 0.10 0.00 0.00 66.02 65.25 2qi9 s SER 128 CO 0.27 -1.50 1.81 1.23 0.98 0.00 0.00 173.24 176.03 2qi9 h GLY 129 N -0.49 1.24 1.58 7.32 0.00 -1.99 -0.14 103.07 110.58 2qi9 h GLY 129 Ca -0.44 -0.30 -0.18 0.00 0.00 0.00 0.00 47.33 46.40 2qi9 h GLY 129 CO 0.60 0.12 -0.73 -1.33 0.00 0.00 0.00 176.54 175.20 2qi9 h GLY 130 N 0.77 0.46 0.96 4.60 0.00 -1.91 -2.40 103.07 105.55 2qi9 h GLY 130 Ca 0.39 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 2qi9 h GLY 130 CO -0.25 0.58 -0.17 0.83 0.00 0.00 0.00 176.54 177.53 2qi9 h GLU 131 N 0.28 0.72 -0.62 4.80 5.08 -1.78 -2.18 114.58 120.89 2qi9 h GLU 131 Ca -0.03 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 2qi9 h GLU 131 Cb 1.30 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 2qi9 h GLU 131 CO 0.13 0.92 0.27 2.35 -1.00 0.00 0.00 179.01 181.68 2qi9 h TRP 132 N 0.49 0.91 -0.45 4.33 -0.00 -1.05 -0.33 115.95 119.86 2qi9 h TRP 132 Ca 0.08 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.89 2qi9 h TRP 132 Cb 0.71 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.57 2qi9 h TRP 132 CO 0.06 0.71 0.22 0.37 -0.00 0.00 0.00 178.44 179.80 2qi9 h GLN 133 N 0.85 0.64 -0.51 2.65 5.75 -1.38 -0.01 115.11 123.10 2qi9 h GLN 133 Ca 0.21 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 2qi9 h GLN 133 Cb 0.16 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2qi9 h GLN 133 CO -0.02 0.54 0.05 0.00 -2.65 0.00 0.00 178.83 176.76 2qi9 h ARG 134 N 0.58 0.82 -0.63 1.69 3.08 -1.10 -0.35 114.38 118.47 2qi9 h ARG 134 Ca 0.15 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2qi9 h ARG 134 Cb 0.11 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2qi9 h ARG 134 CO -0.02 0.79 0.13 0.28 -1.07 0.00 0.00 179.97 180.08 2qi9 h VAL 135 N 0.78 1.26 -0.53 2.04 2.07 -0.64 0.51 116.25 121.74 2qi9 h VAL 135 Ca 0.16 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 2qi9 h VAL 135 Cb 0.39 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2qi9 h VAL 135 CO 0.01 0.37 0.20 0.03 0.02 0.00 0.00 177.57 178.20 2qi9 h ARG 136 N 0.95 0.80 -0.51 1.57 3.08 -0.55 -1.55 114.38 118.18 2qi9 h ARG 136 Ca 0.20 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2qi9 h ARG 136 Cb 0.40 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2qi9 h ARG 136 CO 0.01 0.71 0.25 -0.07 -1.07 0.00 0.00 179.97 179.81 2qi9 h LEU 137 N 0.72 0.66 -0.65 3.04 3.38 -0.76 -2.29 115.31 119.43 2qi9 h LEU 137 Ca 0.18 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2qi9 h LEU 137 Cb 0.22 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2qi9 h LEU 137 CO -0.01 0.60 0.42 0.00 0.09 0.00 0.00 178.44 179.54 2qi9 h ALA 138 N 1.09 0.83 0.56 1.53 0.00 -0.63 -0.35 119.26 122.28 2qi9 h ALA 138 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2qi9 h ALA 138 Cb 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qi9 h ALA 138 CO -0.02 0.22 -0.31 0.00 0.00 0.00 0.00 179.25 179.14 2qi9 h ALA 139 N 1.25 -1.17 -1.04 0.00 0.00 -1.09 0.27 119.26 117.48 2qi9 h ALA 139 Ca 0.24 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.25 2qi9 h ALA 139 Cb -0.07 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 2qi9 h ALA 139 CO -0.06 -1.13 0.67 0.28 0.00 0.00 0.00 179.25 179.01 2qi9 h VAL 140 N -0.80 0.52 -0.06 0.00 2.07 -1.33 0.26 116.25 116.91 2qi9 h VAL 140 Ca -0.08 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.16 2qi9 h VAL 140 Cb 0.63 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2qi9 h VAL 140 CO 0.10 0.07 -0.63 0.58 0.02 0.00 0.00 177.57 177.70 2qi9 h VAL 141 N 0.38 1.40 -0.05 2.57 2.07 -0.66 -3.07 116.25 118.88 2qi9 h VAL 141 Ca 0.59 -2.05 -0.18 0.00 0.82 0.00 0.00 66.70 65.88 2qi9 h VAL 141 Cb 1.52 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 2qi9 h VAL 141 CO -0.28 0.60 -0.75 -0.07 0.02 0.00 0.00 177.57 177.10 2qi9 h LEU 142 N 0.18 0.36 -2.44 2.57 3.38 0.16 -0.94 115.31 118.58 2qi9 h LEU 142 Ca -0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2qi9 h LEU 142 Cb 1.15 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2qi9 h LEU 142 CO 0.10 0.98 -0.02 -0.61 0.09 0.00 0.00 178.44 178.98 2qi9 h GLN 143 N 0.20 0.00 0.00 1.13 4.15 -0.96 -3.34 115.11 116.28 2qi9 h GLN 143 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2qi9 h GLN 143 Cb 1.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.01 2qi9 h GLN 143 CO 0.12 0.02 0.00 1.51 -1.93 0.00 0.00 178.83 178.55 2qi9 n ILE 144 N -3.29 0.00 -1.63 2.39 3.06 -1.16 -4.79 119.36 113.94 2qi9 n ILE 144 Ca -0.02 -0.16 -0.53 0.00 -2.50 0.00 0.00 62.75 59.53 2qi9 n ILE 144 Cb 0.15 1.05 -0.06 0.00 0.54 0.00 0.00 39.64 41.31 2qi9 n ILE 144 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 2qi9 n THR 145 N -0.31 0.10 0.00 9.51 5.66 -0.37 -4.43 114.28 124.44 2qi9 n THR 145 Ca 0.00 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2qi9 n THR 145 Cb 0.01 -0.98 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 2qi9 n THR 145 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2qi9 n PRO 146 N 3.43 0.00 0.11 1.09 -0.02 -1.26 -1.51 135.00 136.85 2qi9 n PRO 146 Ca 0.21 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 2qi9 n PRO 146 Cb 0.18 -1.53 0.37 0.00 -0.02 0.00 0.00 33.50 32.50 2qi9 n PRO 146 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2qi9 h GLN 147 N 0.00 0.00 0.00 -0.52 4.20 -1.98 -3.35 115.11 113.45 2qi9 h GLN 147 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qi9 h GLN 147 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2qi9 h GLN 147 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 2qi9 n ALA 148 N -1.81 0.60 -3.64 3.87 0.00 -0.64 -4.98 120.51 113.92 2qi9 n ALA 148 Ca 0.05 -0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 2qi9 n ALA 148 Cb 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.74 2qi9 n ALA 148 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qi9 s ASN 149 N -0.25 3.62 0.00 0.00 3.84 -0.57 -4.66 114.94 116.92 2qi9 s ASN 149 Ca 0.00 -1.35 0.19 0.00 0.21 0.00 0.00 52.86 51.90 2qi9 s ASN 149 Cb 0.00 -0.57 1.00 0.00 -0.55 0.00 0.00 41.25 41.13 2qi9 s ASN 149 CO 0.00 -0.41 1.55 -0.81 -2.79 0.00 0.00 177.10 174.64 2qi9 n PRO 150 N 5.08 0.37 0.00 0.43 -0.04 -1.26 -2.41 135.00 137.17 2qi9 n PRO 150 Ca -0.05 0.08 0.09 0.00 -0.04 0.00 0.00 63.50 63.58 2qi9 n PRO 150 Cb 0.43 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.41 2qi9 n PRO 150 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qi9 n ALA 151 N -1.19 3.08 -2.07 0.55 0.00 -1.26 -4.97 120.51 114.64 2qi9 n ALA 151 Ca 0.11 -0.60 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 2qi9 n ALA 151 Cb 0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 2qi9 n ALA 151 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qi9 s GLY 152 N -1.98 1.85 0.00 0.00 0.00 -1.01 -3.84 107.32 102.34 2qi9 s GLY 152 Ca 0.17 1.21 0.00 0.00 0.00 0.00 0.00 44.72 46.11 2qi9 s GLY 152 CO 0.41 2.43 0.00 -1.06 0.00 0.00 0.00 173.10 174.88 2qi9 n GLN 153 N 3.87 0.94 -4.15 2.90 6.02 0.05 -4.85 117.38 122.16 2qi9 n GLN 153 Ca 0.12 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.92 2qi9 n GLN 153 Cb 0.41 -0.61 -0.16 0.00 1.02 0.00 0.00 30.24 30.90 2qi9 n GLN 153 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2qi9 s LEU 154 N -1.62 1.48 -0.14 1.08 2.96 -0.30 -0.01 118.68 122.13 2qi9 s LEU 154 Ca 0.00 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2qi9 s LEU 154 Cb 0.00 -0.38 0.01 0.00 0.50 0.00 0.00 46.19 46.32 2qi9 s LEU 154 CO 0.00 -0.03 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.58 2qi9 s LEU 155 N 0.65 2.02 -0.23 -0.68 2.96 -0.21 -1.34 118.68 121.85 2qi9 s LEU 155 Ca -0.08 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.24 2qi9 s LEU 155 Cb -0.11 -1.37 0.02 0.00 0.50 0.00 0.00 46.19 45.23 2qi9 s LEU 155 CO -0.00 0.05 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.24 2qi9 s LEU 156 N 0.94 2.95 -0.14 -0.68 1.43 -0.16 -1.35 118.68 121.67 2qi9 s LEU 156 Ca -0.05 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2qi9 s LEU 156 Cb -0.15 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2qi9 s LEU 156 CO -0.04 -0.09 -0.20 -0.76 0.23 0.00 0.00 176.35 175.50 2qi9 s LEU 157 N 1.34 2.24 -0.44 1.79 1.43 -0.18 -1.21 118.68 123.66 2qi9 s LEU 157 Ca 0.02 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2qi9 s LEU 157 Cb -0.16 -1.48 0.09 0.00 0.03 0.00 0.00 46.19 44.67 2qi9 s LEU 157 CO -0.06 0.09 0.31 -0.62 0.23 0.00 0.00 176.35 176.30 2qi9 s ASP 158 N 0.78 5.76 -1.17 2.29 -1.08 -0.45 -3.03 116.67 119.76 2qi9 s ASP 158 Ca -0.07 -1.55 -0.05 0.00 -0.52 0.00 0.00 52.55 50.36 2qi9 s ASP 158 Cb -0.16 -2.03 -0.02 0.00 -1.46 0.00 0.00 42.92 39.25 2qi9 s ASP 158 CO -0.01 -0.59 0.87 -0.62 0.52 0.00 0.00 175.17 175.34 2qi9 n GLU 159 N 4.98 -4.05 -0.13 4.34 1.02 -1.26 -3.52 120.64 122.02 2qi9 n GLU 159 Ca -0.10 0.74 -0.01 0.00 -0.02 0.00 0.00 57.16 57.77 2qi9 n GLU 159 Cb 0.43 -5.45 -0.01 0.00 -0.02 0.00 0.00 31.44 26.39 2qi9 n GLU 159 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2qi9 n PRO 160 N -3.88 0.26 -1.50 3.49 -0.04 -1.26 -4.93 135.00 127.13 2qi9 n PRO 160 Ca -0.20 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 2qi9 n PRO 160 Cb 0.65 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2qi9 n PRO 160 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qi9 n ASN 162 N 2.24 -8.04 0.00 3.54 3.02 -1.26 -4.90 115.26 109.86 2qi9 n ASN 162 Ca 0.03 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 2qi9 n ASN 162 Cb 0.12 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 2qi9 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2qi9 n SER 163 N 0.08 0.00 -4.87 6.41 7.64 -1.26 -4.88 113.62 116.74 2qi9 n SER 163 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2qi9 n SER 163 Cb 0.00 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 2qi9 n SER 163 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qi9 s LEU 164 N 0.00 4.39 0.00 -3.43 1.43 -1.26 -4.10 118.68 115.71 2qi9 s LEU 164 Ca 0.00 0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 53.67 2qi9 s LEU 164 Cb 0.00 -2.54 0.14 0.00 0.03 0.00 0.00 46.19 43.82 2qi9 s LEU 164 CO 0.00 0.30 0.88 -0.90 0.23 0.00 0.00 176.35 176.86 2qi9 n ASP 165 N 1.44 0.50 -0.17 2.29 5.68 -1.26 -4.78 116.55 120.24 2qi9 n ASP 165 Ca -0.13 -1.58 -0.02 0.00 -0.50 0.00 0.00 54.79 52.55 2qi9 n ASP 165 Cb 0.53 -0.63 0.07 0.00 -1.14 0.00 0.00 41.12 39.95 2qi9 n ASP 165 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2qi9 h VAL 166 N -1.11 0.78 -0.09 2.12 2.07 -1.99 0.96 116.25 119.00 2qi9 h VAL 166 Ca -0.29 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2qi9 h VAL 166 Cb 0.90 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2qi9 h VAL 166 CO 0.24 0.06 0.01 0.00 0.02 0.00 0.00 177.57 177.90 2qi9 h ALA 167 N 1.37 0.12 0.00 1.67 0.00 -2.00 -1.98 119.26 118.45 2qi9 h ALA 167 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qi9 h ALA 167 Cb 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qi9 h ALA 167 CO -0.28 -0.21 -0.05 1.96 0.00 0.00 0.00 179.25 180.67 2qi9 h GLN 168 N -0.09 0.00 -0.25 0.00 4.20 -1.84 0.32 115.11 117.45 2qi9 h GLN 168 Ca 0.03 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 2qi9 h GLN 168 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2qi9 h GLN 168 CO 0.00 0.05 -0.34 1.96 -0.67 0.00 0.00 178.83 179.83 2qi9 h GLN 169 N 0.00 0.68 -0.62 1.46 4.20 -0.38 -2.13 115.11 118.31 2qi9 h GLN 169 Ca -0.00 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 2qi9 h GLN 169 Cb 0.13 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 2qi9 h GLN 169 CO 0.01 1.01 0.33 0.77 -0.67 0.00 0.00 178.83 180.27 2qi9 h SER 170 N 0.39 0.79 -0.56 1.46 0.02 -0.48 0.52 113.55 115.70 2qi9 h SER 170 Ca 0.03 -0.10 0.10 0.00 -0.84 0.00 0.00 61.79 60.97 2qi9 h SER 170 Cb 0.93 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.19 2qi9 h SER 170 CO 0.08 0.67 0.14 0.00 -1.14 0.00 0.00 176.83 176.57 2qi9 h ALA 171 N 1.15 0.66 -0.53 3.77 0.00 -0.82 -0.05 119.26 123.43 2qi9 h ALA 171 Ca 0.22 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2qi9 h ALA 171 Cb 0.06 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qi9 h ALA 171 CO -0.03 -0.28 -0.08 1.25 0.00 0.00 0.00 179.25 180.10 2qi9 h LEU 172 N 0.28 0.97 -0.75 0.00 5.85 -0.69 -2.81 115.31 118.16 2qi9 h LEU 172 Ca 0.28 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2qi9 h LEU 172 Cb 0.39 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2qi9 h LEU 172 CO -0.35 1.07 0.46 0.44 -0.34 0.00 0.00 178.44 179.73 2qi9 h ASP 173 N 0.88 0.74 -0.94 1.25 3.32 0.32 -1.07 116.42 120.92 2qi9 h ASP 173 Ca 0.14 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.22 2qi9 h ASP 173 Cb 0.63 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 2qi9 h ASP 173 CO 0.04 0.49 0.62 0.11 -1.72 0.00 0.00 179.24 178.78 2qi9 h LYS 174 N 0.88 1.22 -0.15 3.56 1.57 -0.83 -1.80 116.57 121.01 2qi9 h LYS 174 Ca 0.32 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.88 2qi9 h LYS 174 Cb 0.09 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2qi9 h LYS 174 CO -0.14 0.81 -0.50 0.82 -0.57 0.00 0.00 179.45 179.86 2qi9 h ILE 175 N 1.25 1.33 -0.10 1.86 2.04 -1.17 -2.88 117.51 119.85 2qi9 h ILE 175 Ca 0.35 -1.74 -0.11 0.00 1.00 0.00 0.00 64.86 64.36 2qi9 h ILE 175 Cb -0.12 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2qi9 h ILE 175 CO -0.08 0.53 -0.35 -0.07 0.00 0.00 0.00 178.15 178.18 2qi9 h LEU 176 N 0.33 0.48 -1.21 1.44 3.38 -0.66 -2.00 115.31 117.07 2qi9 h LEU 176 Ca 0.01 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 2qi9 h LEU 176 Cb 1.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2qi9 h LEU 176 CO 0.09 1.02 -0.03 0.77 0.09 0.00 0.00 178.44 180.38 2qi9 h SER 177 N -0.03 0.48 -0.69 -0.43 4.64 -1.42 -0.31 113.55 115.78 2qi9 h SER 177 Ca -0.02 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 2qi9 h SER 177 Cb 0.99 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 2qi9 h SER 177 CO 0.07 0.57 0.17 0.00 -0.87 0.00 0.00 176.83 176.77 2qi9 h ALA 178 N 1.49 0.98 -0.29 5.18 0.00 -1.48 0.26 119.26 125.41 2qi9 h ALA 178 Ca 0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2qi9 h ALA 178 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2qi9 h ALA 178 CO 0.01 0.66 -0.03 -0.07 0.00 0.00 0.00 179.25 179.82 2qi9 h LEU 179 N 1.05 0.54 -1.23 0.00 3.38 -0.57 -2.54 115.31 115.94 2qi9 h LEU 179 Ca 0.22 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2qi9 h LEU 179 Cb 0.37 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qi9 h LEU 179 CO 0.00 0.74 -0.17 0.77 0.09 0.00 0.00 178.44 179.88 2qi9 h SER 180 N 0.32 0.00 0.95 -0.43 4.64 -0.80 -1.33 113.55 116.90 2qi9 h SER 180 Ca 0.08 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 2qi9 h SER 180 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2qi9 h SER 180 CO 0.02 0.17 -0.26 1.56 -0.87 0.00 0.00 176.83 177.45 2qi9 h GLN 181 N 0.00 0.00 -0.55 4.77 4.20 -0.24 -2.35 115.11 120.94 2qi9 h GLN 181 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qi9 h GLN 181 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2qi9 h GLN 181 CO 0.02 0.26 0.00 1.04 -0.67 0.00 0.00 178.83 179.48 2qi9 n GLN 182 N -3.41 2.50 -0.39 1.46 6.02 -0.57 -4.91 117.38 118.09 2qi9 n GLN 182 Ca 0.00 -1.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 2qi9 n GLN 182 Cb 0.46 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2qi9 n GLN 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qi9 n GLY 183 N 1.00 0.70 3.74 1.08 0.00 -0.88 -4.95 105.19 105.87 2qi9 n GLY 183 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2qi9 n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qi9 s LEU 184 N 0.00 4.52 -0.10 0.99 2.96 -0.82 -1.95 118.68 124.28 2qi9 s LEU 184 Ca 0.00 1.99 -0.18 0.00 -0.22 0.00 0.00 54.13 55.72 2qi9 s LEU 184 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2qi9 s LEU 184 CO 0.00 -0.11 0.49 0.00 -1.32 0.00 0.00 176.35 175.41 2qi9 s ALA 185 N -0.38 3.48 -0.09 5.97 0.00 0.98 -2.65 121.76 129.08 2qi9 s ALA 185 Ca 0.47 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.31 2qi9 s ALA 185 Cb -0.27 -2.65 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 2qi9 s ALA 185 CO 0.33 0.04 -0.24 0.42 0.00 0.00 0.00 175.76 176.31 2qi9 s ILE 186 N 0.47 2.09 0.03 0.00 1.01 -0.58 -1.04 121.20 123.18 2qi9 s ILE 186 Ca 0.26 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.94 2qi9 s ILE 186 Cb -0.15 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2qi9 s ILE 186 CO 0.11 0.56 -0.15 -0.69 0.00 0.00 0.00 174.94 174.77 2qi9 s VAL 187 N 0.20 1.17 0.18 2.92 1.01 -0.46 0.87 120.40 126.30 2qi9 s VAL 187 Ca -0.15 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 60.98 2qi9 s VAL 187 Cb -0.17 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2qi9 s VAL 187 CO 0.07 0.11 0.09 -0.94 0.00 0.00 0.00 175.10 174.43 2qi9 s SER 189 N -0.93 5.22 0.36 3.32 1.04 -1.17 -1.01 113.70 120.54 2qi9 s SER 189 Ca 0.03 -0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 2qi9 s SER 189 Cb -0.07 -1.26 -0.08 0.00 0.10 0.00 0.00 66.02 64.71 2qi9 s SER 189 CO 0.01 0.06 0.75 -0.44 0.98 0.00 0.00 173.24 174.60 2qi9 s SER 190 N -3.16 6.65 0.00 7.02 0.01 0.12 -4.70 113.70 119.64 2qi9 s SER 190 Ca 0.30 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.76 2qi9 s SER 190 Cb -0.09 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2qi9 s SER 190 CO 0.22 -0.30 0.33 0.00 0.41 0.00 0.00 173.24 173.90 2qi9 n HIS 191 N -0.81 0.00 -3.64 2.43 1.44 -1.26 -4.96 115.22 108.41 2qi9 n HIS 191 Ca 0.03 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.69 2qi9 n HIS 191 Cb 0.54 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.58 2qi9 n HIS 191 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2qi9 s ASP 192 N -0.17 -0.64 0.12 4.39 -1.08 -1.26 -5.05 116.67 112.98 2qi9 s ASP 192 Ca 0.00 1.04 -0.19 0.00 -0.52 0.00 0.00 52.55 52.88 2qi9 s ASP 192 Cb 0.00 1.23 -0.06 0.00 -1.46 0.00 0.00 42.92 42.63 2qi9 s ASP 192 CO 0.00 -0.17 1.74 -0.07 0.52 0.00 0.00 175.17 177.19 2qi9 h LEU 193 N 6.09 0.27 -1.07 -1.34 3.38 -1.99 -1.95 115.31 118.69 2qi9 h LEU 193 Ca -0.29 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 2qi9 h LEU 193 Cb 1.20 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2qi9 h LEU 193 CO 0.17 0.24 0.12 0.78 0.09 0.00 0.00 178.44 179.85 2qi9 h ASN 194 N 0.27 0.73 -0.90 -0.43 2.35 -1.92 -0.54 115.58 115.15 2qi9 h ASN 194 Ca 0.08 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2qi9 h ASN 194 Cb 0.02 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 2qi9 h ASN 194 CO -0.01 0.72 0.55 -0.74 -1.65 0.00 0.00 177.43 176.30 2qi9 h HIS 195 N 0.76 1.17 -0.26 1.19 -0.00 -1.90 -0.97 115.15 115.14 2qi9 h HIS 195 Ca 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.50 2qi9 h HIS 195 Cb 0.29 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 2qi9 h HIS 195 CO 0.02 0.77 -0.00 1.15 -0.00 0.00 0.00 177.93 179.86 2qi9 h THR 196 N 1.23 1.26 -0.82 6.26 2.02 -0.50 0.17 112.91 122.52 2qi9 h THR 196 Ca 0.32 -0.92 0.07 0.00 0.77 0.00 0.00 66.41 66.65 2qi9 h THR 196 Cb -0.07 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 2qi9 h THR 196 CO -0.06 0.29 0.50 -0.07 0.37 0.00 0.00 175.52 176.54 2qi9 h LEU 197 N 0.24 0.76 0.06 2.58 3.38 -0.67 -1.38 115.31 120.29 2qi9 h LEU 197 Ca 0.07 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qi9 h LEU 197 Cb 0.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2qi9 h LEU 197 CO 0.01 0.48 -0.03 -0.09 0.09 0.00 0.00 178.44 178.91 2qi9 h ARG 198 N 0.89 -0.07 -0.01 1.13 2.43 -1.01 -3.40 114.38 114.34 2qi9 h ARG 198 Ca 0.37 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2qi9 h ARG 198 Cb 0.21 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2qi9 h ARG 198 CO -0.19 0.52 -0.31 0.72 -1.51 0.00 0.00 179.97 179.21 2qi9 n HIS 199 N -4.77 0.00 -4.20 2.20 8.25 0.60 -4.96 115.22 112.33 2qi9 n HIS 199 Ca -0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.11 2qi9 n HIS 199 Cb 0.31 -0.09 -0.08 0.00 1.12 0.00 0.00 29.99 31.25 2qi9 n HIS 199 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qi9 s ALA 200 N -2.48 3.17 -0.17 -1.41 0.00 -0.52 -4.88 121.76 115.47 2qi9 s ALA 200 Ca 0.23 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.75 2qi9 s ALA 200 Cb 0.19 -1.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.22 2qi9 s ALA 200 CO 0.53 0.54 -0.09 0.72 0.00 0.00 0.00 175.76 177.46 2qi9 n HIS 201 N 0.12 0.83 -3.99 0.00 8.25 -0.25 -4.69 115.22 115.49 2qi9 n HIS 201 Ca -0.10 0.36 -0.24 0.00 -0.26 0.00 0.00 57.72 57.48 2qi9 n HIS 201 Cb 0.54 -0.86 -0.06 0.00 1.12 0.00 0.00 29.99 30.74 2qi9 n HIS 201 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2qi9 s ARG 202 N -2.35 2.30 -0.27 -0.41 1.81 -0.96 -0.79 118.95 118.28 2qi9 s ARG 202 Ca -0.21 -1.78 -0.23 0.00 -1.72 0.00 0.00 55.73 51.79 2qi9 s ARG 202 Cb 0.04 -2.08 0.08 0.00 -0.45 0.00 0.00 34.95 32.54 2qi9 s ARG 202 CO 0.36 -0.16 0.73 0.00 -0.68 0.00 0.00 175.30 175.55 2qi9 s ALA 203 N -2.58 -1.82 -0.19 2.13 0.00 -0.44 -1.99 121.76 116.87 2qi9 s ALA 203 Ca 0.42 2.11 -0.03 0.00 0.00 0.00 0.00 51.96 54.46 2qi9 s ALA 203 Cb 0.02 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 2qi9 s ALA 203 CO 0.24 -0.34 -0.06 -1.58 0.00 0.00 0.00 175.76 174.01 2qi9 s TRP 204 N 0.66 2.94 -0.29 0.00 0.51 -0.31 -2.68 118.94 119.77 2qi9 s TRP 204 Ca -0.02 -0.78 -0.13 0.00 -2.12 0.00 0.00 56.10 53.04 2qi9 s TRP 204 Cb -0.05 -2.03 -0.04 0.00 -0.81 0.00 0.00 33.47 30.54 2qi9 s TRP 204 CO -0.04 -0.40 0.30 -1.17 -0.51 0.00 0.00 176.95 175.12 2qi9 s LEU 205 N 1.08 4.14 0.27 2.99 0.20 -0.81 -0.74 118.68 125.82 2qi9 s LEU 205 Ca 0.01 0.03 0.11 0.00 0.69 0.00 0.00 54.13 54.97 2qi9 s LEU 205 Cb -0.15 -2.28 -0.05 0.00 -0.43 0.00 0.00 46.19 43.29 2qi9 s LEU 205 CO -0.01 -0.17 -0.15 -0.76 -0.29 0.00 0.00 176.35 174.97 2qi9 s LEU 206 N 1.93 2.74 -0.25 -0.68 1.43 0.11 -0.37 118.68 123.60 2qi9 s LEU 206 Ca 0.11 -0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 52.23 2qi9 s LEU 206 Cb -0.16 -1.28 0.12 0.00 0.03 0.00 0.00 46.19 44.90 2qi9 s LEU 206 CO 0.11 0.04 0.51 -0.75 0.23 0.00 0.00 176.35 176.49 2qi9 s LYS 207 N -3.47 0.43 -1.58 1.70 2.20 0.38 -4.25 119.74 115.15 2qi9 s LYS 207 Ca 0.30 1.14 -0.00 0.00 -0.36 0.00 0.00 55.97 57.05 2qi9 s LYS 207 Cb -0.06 0.48 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 2qi9 s LYS 207 CO 0.16 -0.29 0.02 0.41 -0.36 0.00 0.00 175.35 175.29 2qi9 n GLY 208 N 5.41 -0.50 1.11 5.54 0.00 -1.25 -0.85 105.19 114.64 2qi9 n GLY 208 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2qi9 n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi9 n GLY 209 N -0.98 1.49 0.00 -0.02 0.00 0.97 -4.58 105.19 102.07 2qi9 n GLY 209 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2qi9 n GLY 209 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qi9 n LYS 210 N -2.00 0.94 0.00 1.61 4.76 -0.03 -2.19 118.16 121.25 2qi9 n LYS 210 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2qi9 n LYS 210 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2qi9 n LYS 210 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qi9 n LEU 212 N 0.00 0.00 -3.97 -0.35 4.32 0.50 -0.47 117.00 117.03 2qi9 n LEU 212 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 2qi9 n LEU 212 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 2qi9 n LEU 212 CO 0.00 0.00 -0.21 0.00 -1.22 0.00 0.00 177.39 175.96 2qi9 s ALA 213 N -0.97 0.12 -0.28 -1.18 0.00 -1.19 -5.00 121.76 113.26 2qi9 s ALA 213 Ca 0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 2qi9 s ALA 213 Cb 0.00 0.41 0.08 0.00 0.00 0.00 0.00 23.12 23.61 2qi9 s ALA 213 CO 0.00 -0.45 0.72 0.45 0.00 0.00 0.00 175.76 176.48 2qi9 s SER 214 N -2.89 -0.86 0.00 0.00 0.15 -1.26 -1.92 113.70 106.92 2qi9 s SER 214 Ca 0.07 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2qi9 s SER 214 Cb 0.06 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 2qi9 s SER 214 CO -0.10 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2qi9 n GLY 215 N 3.76 0.62 3.71 9.45 0.00 -1.09 -4.92 105.19 116.71 2qi9 n GLY 215 Ca -0.18 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 2qi9 n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qi9 n ARG 216 N 0.00 1.87 -0.33 1.61 1.74 -1.26 -1.33 116.66 118.96 2qi9 n ARG 216 Ca 0.00 0.67 0.06 0.00 -0.77 0.00 0.00 57.85 57.81 2qi9 n ARG 216 Cb 0.00 -2.43 0.22 0.00 -1.02 0.00 0.00 32.46 29.23 2qi9 n ARG 216 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2qi9 h ARG 217 N 1.92 0.85 0.00 5.56 -0.00 -1.22 -1.43 114.38 120.06 2qi9 h ARG 217 Ca -0.49 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.98 59.40 2qi9 h ARG 217 Cb 1.30 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.97 31.07 2qi9 h ARG 217 CO 0.59 0.56 -0.20 0.93 -0.00 0.00 0.00 179.97 181.85 2qi9 h GLU 218 N 0.88 0.00 0.00 0.08 3.07 -1.90 -1.31 114.58 115.40 2qi9 h GLU 218 Ca 0.47 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.25 2qi9 h GLU 218 Cb 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2qi9 h GLU 218 CO -0.28 0.20 -0.74 0.93 -1.40 0.00 0.00 179.01 177.72 2qi9 h GLU 219 N 0.00 0.00 0.05 2.33 5.08 -1.63 -3.38 114.58 117.02 2qi9 h GLU 219 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 2qi9 h GLU 219 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2qi9 h GLU 219 CO 0.03 0.24 -1.19 0.28 -1.00 0.00 0.00 179.01 177.36 2qi9 h VAL 220 N 0.00 1.05 -0.43 3.13 2.07 -0.91 -3.40 116.25 117.76 2qi9 h VAL 220 Ca -0.04 -2.29 -0.71 0.00 0.82 0.00 0.00 66.70 64.48 2qi9 h VAL 220 Cb 1.28 2.56 -0.06 0.00 -1.52 0.00 0.00 31.29 33.56 2qi9 h VAL 220 CO 0.03 0.53 3.00 0.18 0.02 0.00 0.00 177.57 181.33 2qi9 n LEU 221 N -4.22 7.44 -4.63 2.57 4.77 -0.54 -4.56 117.00 117.83 2qi9 n LEU 221 Ca -0.27 -4.39 -0.30 0.00 -0.03 0.00 0.00 56.01 51.02 2qi9 n LEU 221 Cb 0.75 -1.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.19 2qi9 n LEU 221 CO 0.30 1.52 -0.38 0.42 -1.33 0.00 0.00 177.39 177.92 2qi9 s THR 222 N 1.84 3.71 0.30 -5.08 -4.23 -1.26 -4.94 115.64 105.98 2qi9 s THR 222 Ca 0.52 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 2qi9 s THR 222 Cb 0.15 -2.74 0.31 0.00 1.34 0.00 0.00 72.50 71.55 2qi9 s THR 222 CO -0.06 0.15 1.67 1.55 -0.54 0.00 0.00 174.62 177.38 2qi9 h PRO 223 N 3.64 0.29 -0.49 3.99 0.13 -1.91 0.33 132.00 137.98 2qi9 h PRO 223 Ca -0.48 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 2qi9 h PRO 223 Cb 1.17 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2qi9 h PRO 223 CO 0.56 0.19 -0.08 -1.00 -0.23 0.00 0.00 178.00 177.44 2qi9 h PRO 224 N 0.30 0.92 -0.29 1.56 0.13 -1.96 0.13 132.00 132.79 2qi9 h PRO 224 Ca 0.59 -0.34 -0.05 0.00 -0.87 0.00 0.00 66.00 65.33 2qi9 h PRO 224 Cb 1.20 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2qi9 h PRO 224 CO -0.60 0.99 -0.00 -0.91 -0.23 0.00 0.00 178.00 177.25 2qi9 h ASN 225 N 0.78 0.51 0.29 1.44 2.35 -1.59 -2.83 115.58 116.54 2qi9 h ASN 225 Ca 0.13 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 2qi9 h ASN 225 Cb 0.63 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2qi9 h ASN 225 CO 0.04 0.70 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.32 2qi9 h LEU 226 N 0.31 0.00 -0.27 1.61 3.38 -0.90 -2.26 115.31 117.18 2qi9 h LEU 226 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 2qi9 h LEU 226 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2qi9 h LEU 226 CO 0.02 0.13 -0.47 0.00 0.09 0.00 0.00 178.44 178.20 2qi9 h ALA 227 N 1.87 0.42 -0.48 1.53 0.00 -0.73 -1.52 119.26 120.36 2qi9 h ALA 227 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2qi9 h ALA 227 Cb 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2qi9 h ALA 227 CO 0.02 0.58 -0.02 1.96 0.00 0.00 0.00 179.25 181.79 2qi9 h GLN 228 N 0.55 0.80 0.00 0.00 4.20 -1.22 0.30 115.11 119.75 2qi9 h GLN 228 Ca 0.02 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 2qi9 h GLN 228 Cb 1.07 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2qi9 h GLN 228 CO 0.11 0.82 -0.00 0.00 -0.67 0.00 0.00 178.83 179.09 2qi9 h ALA 229 N 1.23 -0.00 0.00 3.87 0.00 -1.37 -3.37 119.26 119.62 2qi9 h ALA 229 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qi9 h ALA 229 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2qi9 h ALA 229 CO 0.02 -0.12 -0.99 0.66 0.00 0.00 0.00 179.25 178.82 2qi9 n TYR 230 N -4.73 0.00 -2.68 0.00 4.02 -0.58 -4.71 117.16 108.48 2qi9 n TYR 230 Ca -0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.71 2qi9 n TYR 230 Cb 0.37 -0.04 0.04 0.00 -0.02 0.00 0.00 39.34 39.69 2qi9 n TYR 230 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qi9 n GLY 231 N 1.49 -0.56 3.28 2.72 0.00 0.11 -5.04 105.19 107.18 2qi9 n GLY 231 Ca 0.04 0.31 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 2qi9 n GLY 231 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qi9 s ASN 233 N -3.20 2.58 0.12 1.61 0.01 -1.26 -5.06 114.94 109.74 2qi9 s ASN 233 Ca 0.28 -0.62 0.04 0.00 -0.71 0.00 0.00 52.86 51.84 2qi9 s ASN 233 Cb -0.04 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.41 2qi9 s ASN 233 CO 0.51 0.11 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.74 2qi9 s PHE 234 N -1.01 1.19 -0.03 2.20 0.40 -1.26 -0.86 117.98 118.61 2qi9 s PHE 234 Ca 0.07 -0.70 0.07 0.00 -0.60 0.00 0.00 56.93 55.77 2qi9 s PHE 234 Cb -0.10 -0.62 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 2qi9 s PHE 234 CO 0.03 0.05 -0.23 0.50 0.70 0.00 0.00 175.22 176.27 2qi9 s ARG 235 N -3.23 1.97 -0.16 0.44 3.52 0.69 -4.64 118.95 117.54 2qi9 s ARG 235 Ca 0.11 -0.82 -0.06 0.00 -0.13 0.00 0.00 55.73 54.84 2qi9 s ARG 235 Cb -0.00 -1.84 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 2qi9 s ARG 235 CO 0.00 0.46 0.04 0.50 -0.81 0.00 0.00 175.30 175.49 2qi9 s ARG 236 N -0.43 3.73 -0.37 5.12 3.52 -1.26 -1.70 118.95 127.56 2qi9 s ARG 236 Ca 0.06 -0.38 0.03 0.00 -0.13 0.00 0.00 55.73 55.31 2qi9 s ARG 236 Cb -0.10 -3.08 0.11 0.00 -1.56 0.00 0.00 34.95 30.31 2qi9 s ARG 236 CO 0.00 0.36 0.10 -0.51 -0.81 0.00 0.00 175.30 174.45 2qi9 s LEU 237 N 0.09 4.08 -0.55 -0.88 1.43 -1.26 -5.02 118.68 116.57 2qi9 s LEU 237 Ca 0.04 -2.22 -0.20 0.00 -1.03 0.00 0.00 54.13 50.71 2qi9 s LEU 237 Cb -0.13 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 44.72 2qi9 s LEU 237 CO 0.01 -0.36 0.74 -1.81 0.23 0.00 0.00 176.35 175.17 2qi9 s ASP 238 N 0.82 6.23 -0.05 2.29 1.01 -1.26 -4.64 116.67 121.06 2qi9 s ASP 238 Ca 0.12 -0.94 0.01 0.00 0.71 0.00 0.00 52.55 52.45 2qi9 s ASP 238 Cb -0.20 -2.34 0.02 0.00 1.01 0.00 0.00 42.92 41.41 2qi9 s ASP 238 CO -0.10 -1.07 -0.06 -0.63 0.21 0.00 0.00 175.17 173.52 2qi9 s ILE 239 N 3.07 0.69 -1.22 0.77 1.01 -0.74 -4.79 121.20 119.99 2qi9 s ILE 239 Ca 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.58 2qi9 s ILE 239 Cb -0.19 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.59 2qi9 s ILE 239 CO 0.12 0.26 0.63 -0.62 0.00 0.00 0.00 174.94 175.33 2qi9 n GLU 240 N 4.07 -4.71 0.00 2.79 1.02 -1.26 -2.90 120.64 119.65 2qi9 n GLU 240 Ca -0.23 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2qi9 n GLU 240 Cb 0.51 -5.24 0.00 0.00 -0.02 0.00 0.00 31.44 26.69 2qi9 n GLU 240 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qi9 n GLY 241 N -1.48 1.89 3.61 0.62 0.00 -1.26 -4.96 105.19 103.61 2qi9 n GLY 241 Ca -0.06 -0.21 -0.48 0.00 0.00 0.00 0.00 46.02 45.26 2qi9 n GLY 241 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qi9 n HIS 242 N 0.00 1.69 -3.69 1.61 8.25 -1.14 -5.01 115.22 116.92 2qi9 n HIS 242 Ca 0.00 0.55 -0.20 0.00 -0.26 0.00 0.00 57.72 57.81 2qi9 n HIS 242 Cb 0.00 -2.37 -0.03 0.00 1.12 0.00 0.00 29.99 28.71 2qi9 n HIS 242 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2qi9 s ARG 243 N 0.04 2.82 0.02 -0.41 0.52 -1.26 -1.79 118.95 118.89 2qi9 s ARG 243 Ca 0.76 -1.23 -0.25 0.00 -0.52 0.00 0.00 55.73 54.49 2qi9 s ARG 243 Cb -0.81 -2.57 0.06 0.00 0.52 0.00 0.00 34.95 32.15 2qi9 s ARG 243 CO 0.48 0.06 0.57 -0.51 0.02 0.00 0.00 175.30 175.93 2qi9 s LEU 245 N -4.06 -0.28 -0.17 2.53 1.43 -1.26 -4.72 118.68 112.15 2qi9 s LEU 245 Ca 0.43 0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.79 2qi9 s LEU 245 Cb -0.07 2.27 0.06 0.00 0.03 0.00 0.00 46.19 48.49 2qi9 s LEU 245 CO 0.28 -0.69 0.41 -0.63 0.23 0.00 0.00 176.35 175.95 2qi9 s ILE 246 N -2.05 -0.04 0.52 -0.59 1.01 -0.69 -4.92 121.20 114.44 2qi9 s ILE 246 Ca -0.07 0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.46 2qi9 s ILE 246 Cb -0.01 -0.61 -0.06 0.00 0.01 0.00 0.00 42.46 41.80 2qi9 s ILE 246 CO 0.02 0.04 1.26 -0.94 0.00 0.00 0.00 174.94 175.31 2qi9 s SER 247 N 1.43 5.61 -0.07 3.58 1.04 -1.26 -0.22 113.70 123.81 2qi9 s SER 247 Ca -0.09 2.52 -0.11 0.00 0.48 0.00 0.00 55.95 58.75 2qi9 s SER 247 Cb -0.08 -2.62 -0.30 0.00 0.10 0.00 0.00 66.02 63.12 2qi9 s SER 247 CO -0.13 -1.32 0.61 0.74 0.98 0.00 0.00 173.24 174.12 2qi9 h THR 248 N 1.52 0.89 0.00 2.02 2.02 -1.33 -3.45 112.91 114.58 2qi9 h THR 248 Ca -0.50 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.21 2qi9 h THR 248 Cb 1.28 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.41 2qi9 h THR 248 CO 0.58 0.85 0.00 -0.38 0.37 0.00 0.00 175.52 176.94