#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu9 s SER 3 N 0.00 5.60 1.01 3.54 0.01 -1.26 -5.01 113.70 117.59 3iu9 s SER 3 Ca 0.00 -0.39 -0.12 0.00 1.31 0.00 0.00 55.95 56.75 3iu9 s SER 3 Cb 0.00 -0.99 0.20 0.00 0.21 0.00 0.00 66.02 65.43 3iu9 s SER 3 CO 0.00 -0.48 1.08 0.00 0.41 0.00 0.00 173.24 174.25 3iu9 s ARG 4 N -4.13 0.32 0.37 12.44 1.70 -1.26 -5.05 118.95 123.34 3iu9 s ARG 4 Ca 0.45 0.75 -0.03 0.00 -0.47 0.00 0.00 55.73 56.43 3iu9 s ARG 4 Cb -0.08 -1.71 0.08 0.00 -0.57 0.00 0.00 34.95 32.68 3iu9 s ARG 4 CO 0.29 -2.86 0.51 0.25 -1.08 0.00 0.00 175.30 172.41 3iu9 n THR 5 N -4.30 0.00 -1.76 4.99 -2.24 -1.26 -5.02 114.28 104.69 3iu9 n THR 5 Ca 0.05 -0.57 -0.41 0.00 -2.27 0.00 0.00 64.05 60.85 3iu9 n THR 5 Cb 0.56 -1.46 -0.00 0.00 -2.10 0.00 0.00 70.33 67.33 3iu9 n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iu9 n ALA 6 N -3.16 2.32 -1.70 6.98 0.00 -1.26 -4.98 120.51 118.72 3iu9 n ALA 6 Ca -0.08 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 3iu9 n ALA 6 Cb 0.26 -2.41 0.02 0.00 0.00 0.00 0.00 19.45 17.31 3iu9 n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iu9 s LEU 7 N -1.71 3.64 0.14 0.00 1.43 -1.26 -5.10 118.68 115.83 3iu9 s LEU 7 Ca 0.55 2.14 0.07 0.00 -1.03 0.00 0.00 54.13 55.86 3iu9 s LEU 7 Cb -0.49 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.12 3iu9 s LEU 7 CO 0.61 -1.36 -0.16 -0.44 0.23 0.00 0.00 176.35 175.24 3iu9 s SER 8 N -1.99 2.28 0.41 2.29 0.01 -1.26 -5.15 113.70 110.29 3iu9 s SER 8 Ca 0.71 -0.85 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 3iu9 s SER 8 Cb -0.23 -0.10 -0.08 0.00 0.21 0.00 0.00 66.02 65.81 3iu9 s SER 8 CO 0.31 -0.11 1.19 -2.16 0.41 0.00 0.00 173.24 172.88 3iu9 s PRO 9 N -2.81 4.01 0.00 12.44 0.04 -1.26 -4.95 135.00 142.48 3iu9 s PRO 9 Ca 0.12 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.05 3iu9 s PRO 9 Cb -0.05 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3iu9 s PRO 9 CO 0.04 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.13 3iu9 n GLY 10 N 0.63 3.25 3.71 0.56 0.00 -1.26 -5.05 105.19 107.03 3iu9 n GLY 10 Ca 0.04 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 3iu9 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iu9 s VAL 11 N 2.43 4.44 0.25 1.61 0.11 -1.26 -4.80 120.40 123.19 3iu9 s VAL 11 Ca 0.00 -0.26 -0.15 0.00 -2.93 0.00 0.00 61.98 58.64 3iu9 s VAL 11 Cb 0.00 -2.90 -0.08 0.00 -1.53 0.00 0.00 36.38 31.87 3iu9 s VAL 11 CO 0.00 0.56 0.67 -0.76 -3.33 0.00 0.00 175.10 172.24 3iu9 s LEU 12 N -1.04 4.19 0.87 2.54 1.43 -1.26 -1.69 118.68 123.72 3iu9 s LEU 12 Ca 0.15 1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 54.35 3iu9 s LEU 12 Cb -0.11 -3.76 0.11 0.00 0.03 0.00 0.00 46.19 42.46 3iu9 s LEU 12 CO 0.04 -0.08 1.10 -0.94 0.23 0.00 0.00 176.35 176.70 3iu9 s SER 13 N -2.06 3.75 0.69 2.29 1.04 -1.26 -5.01 113.70 113.14 3iu9 s SER 13 Ca 0.48 1.35 -0.17 0.00 0.48 0.00 0.00 55.95 58.09 3iu9 s SER 13 Cb -0.13 -2.04 -0.00 0.00 0.10 0.00 0.00 66.02 63.95 3iu9 s SER 13 CO 0.19 -2.44 1.07 -2.65 0.98 0.00 0.00 173.24 170.39 3iu9 n PRO 14 N -3.74 0.71 -1.82 4.02 -0.02 -1.26 -4.90 135.00 127.99 3iu9 n PRO 14 Ca 0.07 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 3iu9 n PRO 14 Cb 0.56 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 3iu9 n PRO 14 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iu9 s THR 15 N -1.67 2.18 -0.08 3.45 2.01 -1.26 -4.96 115.64 115.31 3iu9 s THR 15 Ca 0.77 0.15 -0.23 0.00 0.31 0.00 0.00 61.69 62.69 3iu9 s THR 15 Cb -0.36 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 3iu9 s THR 15 CO 0.47 0.03 0.68 -0.13 -0.69 0.00 0.00 174.62 174.97 3iu9 s ARG 16 N -0.57 4.41 0.57 4.92 0.52 -1.26 -5.04 118.95 122.50 3iu9 s ARG 16 Ca 0.62 0.83 -0.11 0.00 -0.52 0.00 0.00 55.73 56.55 3iu9 s ARG 16 Cb -0.47 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 31.50 3iu9 s ARG 16 CO 0.48 0.05 0.98 -1.25 0.02 0.00 0.00 175.30 175.57 3iu9 s PRO 17 N 0.87 3.65 -0.09 3.54 0.04 -1.26 -5.08 135.00 136.67 3iu9 s PRO 17 Ca 0.36 0.69 0.02 0.00 0.04 0.00 0.00 61.00 62.11 3iu9 s PRO 17 Cb -0.17 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3iu9 s PRO 17 CO 0.17 -0.45 -0.16 0.08 0.04 0.00 0.00 177.00 176.68 3iu9 s VAL 18 N -3.00 1.47 0.45 -0.36 1.01 -1.26 -5.08 120.40 113.64 3iu9 s VAL 18 Ca 0.54 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 3iu9 s VAL 18 Cb -0.11 -1.32 -0.11 0.00 0.00 0.00 0.00 36.38 34.84 3iu9 s VAL 18 CO 0.48 0.43 0.74 -2.65 0.00 0.00 0.00 175.10 174.10 3iu9 n PRO 19 N 3.90 0.85 0.27 2.72 -0.02 -1.26 -4.87 135.00 136.59 3iu9 n PRO 19 Ca -0.21 0.31 0.16 0.00 -2.02 0.00 0.00 63.50 61.75 3iu9 n PRO 19 Cb 0.52 -1.77 0.61 0.00 -0.02 0.00 0.00 33.50 32.84 3iu9 n PRO 19 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3iu9 h ASN 20 N 0.96 0.00 0.38 2.55 2.35 -2.03 -2.40 115.58 117.38 3iu9 h ASN 20 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3iu9 h ASN 20 Cb 1.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.75 3iu9 h ASN 20 CO 0.53 0.02 0.00 -2.67 -1.65 0.00 0.00 177.43 173.65 3iu9 n TRP 21 N -3.11 0.00 -3.16 1.19 4.27 -1.26 -4.55 117.44 110.82 3iu9 n TRP 21 Ca 0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.20 3iu9 n TRP 21 Cb 0.34 -0.37 -0.07 0.00 -1.36 0.00 0.00 31.31 29.85 3iu9 n TRP 21 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3iu9 s ILE 22 N -2.74 4.94 0.34 -1.67 1.01 -0.91 -5.03 121.20 117.15 3iu9 s ILE 22 Ca 0.12 0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.92 3iu9 s ILE 22 Cb 0.10 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 3iu9 s ILE 22 CO 0.25 -0.30 1.44 0.00 0.00 0.00 0.00 174.94 176.34 3iu9 s ALA 23 N 2.59 3.58 0.23 9.38 0.00 -1.26 -4.95 121.76 131.32 3iu9 s ALA 23 Ca 0.22 1.47 -0.15 0.00 0.00 0.00 0.00 51.96 53.50 3iu9 s ALA 23 Cb -0.15 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 3iu9 s ALA 23 CO 0.15 -0.91 0.65 1.03 0.00 0.00 0.00 175.76 176.67 3iu9 s ARG 24 N -1.69 4.02 0.80 0.00 3.00 -1.26 -4.68 118.95 119.14 3iu9 s ARG 24 Ca 0.53 0.60 -0.12 0.00 0.00 0.00 0.00 55.73 56.74 3iu9 s ARG 24 Cb -0.44 -2.73 0.08 0.00 0.00 0.00 0.00 34.95 31.86 3iu9 s ARG 24 CO 0.57 0.34 1.15 -1.25 0.00 0.00 0.00 175.30 176.11 3iu9 s PRO 25 N -2.41 1.84 0.53 3.54 0.04 -1.26 -4.90 135.00 132.39 3iu9 s PRO 25 Ca 0.45 1.52 0.29 0.00 0.04 0.00 0.00 61.00 63.30 3iu9 s PRO 25 Cb -0.13 -1.82 1.50 0.00 0.04 0.00 0.00 34.50 34.08 3iu9 s PRO 25 CO 0.20 -2.01 2.08 1.05 0.04 0.00 0.00 177.00 178.35 3iu9 h GLU 26 N -1.00 0.00 0.00 4.56 -0.00 -1.97 -2.81 114.58 113.35 3iu9 h GLU 26 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 3iu9 h GLU 26 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 3iu9 h GLU 26 CO 0.48 0.10 -0.11 2.48 -0.00 0.00 0.00 179.01 181.96 3iu9 n TYR 27 N -3.55 0.03 -2.02 2.06 0.18 -1.26 -4.73 117.16 107.87 3iu9 n TYR 27 Ca -0.02 0.01 -0.42 0.00 1.88 0.00 0.00 57.90 59.35 3iu9 n TYR 27 Cb 0.24 -0.46 -0.03 0.00 -0.38 0.00 0.00 39.34 38.71 3iu9 n TYR 27 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3iu9 s VAL 28 N -3.00 3.05 0.00 -3.48 1.01 -1.06 -1.72 120.40 115.19 3iu9 s VAL 28 Ca 0.13 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.76 3iu9 s VAL 28 Cb 0.18 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3iu9 s VAL 28 CO 0.57 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3iu9 n GLY 29 N 3.76 0.87 3.59 4.51 0.00 -1.26 -5.04 105.19 111.62 3iu9 n GLY 29 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3iu9 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iu9 s LYS 30 N -0.62 2.11 0.20 1.61 1.02 -0.70 -5.07 119.74 118.30 3iu9 s LYS 30 Ca 0.00 -1.36 0.25 0.00 0.02 0.00 0.00 55.97 54.87 3iu9 s LYS 30 Cb 0.00 -2.13 0.47 0.00 -0.52 0.00 0.00 37.83 35.65 3iu9 s LYS 30 CO 0.00 0.40 1.49 -1.00 -0.92 0.00 0.00 175.35 175.32 3iu9 h PRO 31 N 2.50 0.00 0.00 -1.68 0.13 -1.96 -3.41 132.00 127.58 3iu9 h PRO 31 Ca -0.45 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.27 3iu9 h PRO 31 Cb 1.22 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 3iu9 h PRO 31 CO 0.57 0.00 -0.36 0.00 -0.23 0.00 0.00 178.00 177.98 3iu9 n ALA 32 N -1.88 0.48 -2.42 -0.56 0.00 -1.26 -4.50 120.51 110.37 3iu9 n ALA 32 Ca 0.04 -1.56 -0.28 0.00 0.00 0.00 0.00 53.44 51.64 3iu9 n ALA 32 Cb 0.46 1.12 -0.14 0.00 0.00 0.00 0.00 19.45 20.89 3iu9 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iu9 s ALA 33 N -2.91 2.04 -0.98 0.00 0.00 -1.26 -4.77 121.76 113.88 3iu9 s ALA 33 Ca 0.20 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 3iu9 s ALA 33 Cb 0.01 -0.39 0.09 0.00 0.00 0.00 0.00 23.12 22.82 3iu9 s ALA 33 CO 0.14 0.47 1.31 -0.65 0.00 0.00 0.00 175.76 177.03 3iu9 s GLN 34 N -1.37 3.59 -0.08 0.00 -0.21 -1.26 -4.95 119.66 115.39 3iu9 s GLN 34 Ca 0.10 -1.41 -0.31 0.00 0.02 0.00 0.00 55.36 53.77 3iu9 s GLN 34 Cb -0.10 -5.16 0.08 0.00 1.00 0.00 0.00 33.01 28.83 3iu9 s GLN 34 CO 0.03 -2.02 0.72 -1.83 -2.12 0.00 0.00 175.29 170.07 3iu9 s GLU 35 N 3.96 0.99 0.00 2.91 -1.05 -1.26 -4.92 118.70 119.33 3iu9 s GLU 35 Ca 0.40 0.29 0.00 0.00 -0.15 0.00 0.00 54.97 55.51 3iu9 s GLU 35 Cb -0.02 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 3iu9 s GLU 35 CO -0.10 -0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.22 3iu9 n GLY 36 N 0.99 1.10 0.92 -3.83 0.00 -1.07 -4.90 105.19 98.41 3iu9 n GLY 36 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 3iu9 n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iu9 n SER 37 N 0.00 1.19 -4.94 1.61 3.41 -1.10 -4.07 113.62 109.72 3iu9 n SER 37 Ca 0.00 -2.67 -0.24 0.00 -0.26 0.00 0.00 58.87 55.69 3iu9 n SER 37 Cb 0.00 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 3iu9 n SER 37 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3iu9 s GLU 38 N -1.26 3.50 0.78 4.33 8.01 -1.07 -5.06 118.70 127.93 3iu9 s GLU 38 Ca 0.29 -0.29 -0.14 0.00 0.01 0.00 0.00 54.97 54.84 3iu9 s GLU 38 Cb 0.31 -2.66 0.07 0.00 -4.31 0.00 0.00 34.13 27.54 3iu9 s GLU 38 CO -0.09 0.15 1.20 -2.14 0.01 0.00 0.00 175.26 174.39 3iu9 s PRO 39 N -4.23 1.85 -0.09 0.39 0.02 -1.26 -4.87 135.00 126.81 3iu9 s PRO 39 Ca 0.40 1.72 0.18 0.00 0.02 0.00 0.00 61.00 63.33 3iu9 s PRO 39 Cb -0.10 -1.80 -0.24 0.00 0.02 0.00 0.00 34.50 32.38 3iu9 s PRO 39 CO 0.36 -2.04 0.38 0.91 -0.33 0.00 0.00 177.00 176.27 3iu9 n TRP 40 N -3.10 0.29 -3.18 6.54 8.01 -1.26 -4.81 117.44 119.92 3iu9 n TRP 40 Ca 0.13 0.10 -0.39 0.00 -1.31 0.00 0.00 57.50 56.03 3iu9 n TRP 40 Cb 0.51 -0.91 -0.06 0.00 -2.01 0.00 0.00 31.31 28.84 3iu9 n TRP 40 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3iu9 s VAL 41 N -2.85 5.11 0.30 -0.99 1.01 -1.26 -3.32 120.40 118.39 3iu9 s VAL 41 Ca -0.08 1.16 -0.03 0.00 0.00 0.00 0.00 61.98 63.04 3iu9 s VAL 41 Cb 0.09 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3iu9 s VAL 41 CO 0.84 0.25 0.54 -1.10 0.00 0.00 0.00 175.10 175.64 3iu9 s GLN 42 N 0.96 3.58 0.67 2.72 -1.52 0.07 -4.94 119.66 121.21 3iu9 s GLN 42 Ca 0.30 -0.10 -0.11 0.00 -1.95 0.00 0.00 55.36 53.50 3iu9 s GLN 42 Cb -0.16 -2.66 -0.01 0.00 -0.22 0.00 0.00 33.01 29.96 3iu9 s GLN 42 CO 0.13 0.21 1.05 0.95 -0.25 0.00 0.00 175.29 177.38 3iu9 s THR 43 N -2.13 4.19 0.35 -0.19 -4.23 -1.26 -4.82 115.64 107.56 3iu9 s THR 43 Ca 0.43 0.71 0.04 0.00 -1.18 0.00 0.00 61.69 61.69 3iu9 s THR 43 Cb -0.10 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.43 3iu9 s THR 43 CO 0.32 -0.93 1.97 -0.65 -0.54 0.00 0.00 174.62 174.78 3iu9 h PRO 44 N -0.57 0.79 -0.36 3.99 0.11 -1.98 -0.53 132.00 133.44 3iu9 h PRO 44 Ca -0.44 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3iu9 h PRO 44 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3iu9 h PRO 44 CO 0.60 0.52 -0.03 0.93 -0.21 0.00 0.00 178.00 179.81 3iu9 h GLU 45 N 0.81 0.67 -0.67 1.05 3.07 -2.00 -1.65 114.58 115.85 3iu9 h GLU 45 Ca 0.30 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 3iu9 h GLU 45 Cb 0.15 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3iu9 h GLU 45 CO -0.09 0.80 0.28 0.28 -1.40 0.00 0.00 179.01 178.87 3iu9 h VAL 46 N 0.47 1.24 -0.95 3.13 2.07 -1.79 -2.38 116.25 118.04 3iu9 h VAL 46 Ca 0.10 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3iu9 h VAL 46 Cb 0.52 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3iu9 h VAL 46 CO 0.03 0.29 0.63 0.40 0.02 0.00 0.00 177.57 178.94 3iu9 h ILE 47 N 0.95 1.22 -0.49 4.57 2.04 -0.85 0.19 117.51 125.15 3iu9 h ILE 47 Ca 0.23 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 3iu9 h ILE 47 Cb 0.19 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 3iu9 h ILE 47 CO -0.02 0.23 0.01 -0.08 0.00 0.00 0.00 178.15 178.29 3iu9 h GLU 48 N 1.27 0.85 -0.44 2.37 4.57 -1.09 -1.32 114.58 120.78 3iu9 h GLU 48 Ca 0.36 -0.27 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 3iu9 h GLU 48 Cb -0.10 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 3iu9 h GLU 48 CO -0.09 0.89 -0.00 0.87 -1.18 0.00 0.00 179.01 179.50 3iu9 h LYS 49 N 0.71 0.72 0.00 1.92 1.57 -0.82 -2.64 116.57 118.02 3iu9 h LYS 49 Ca 0.14 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3iu9 h LYS 49 Cb 0.50 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3iu9 h LYS 49 CO 0.02 0.73 -0.29 0.52 -0.57 0.00 0.00 179.45 179.87 3iu9 h MET 50 N 0.67 0.00 -0.63 3.15 2.86 0.17 -1.59 114.93 119.56 3iu9 h MET 50 Ca 0.13 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3iu9 h MET 50 Cb 0.42 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3iu9 h MET 50 CO 0.02 0.29 0.28 0.00 1.06 0.00 0.00 176.91 178.55 3iu9 h ARG 51 N 0.00 0.91 0.26 1.72 3.08 -0.91 0.49 114.38 119.92 3iu9 h ARG 51 Ca -0.00 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3iu9 h ARG 51 Cb 0.52 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3iu9 h ARG 51 CO 0.04 0.72 -0.12 0.28 -1.07 0.00 0.00 179.97 179.81 3iu9 h VAL 52 N 0.90 0.80 -0.70 2.04 2.07 -1.31 -1.66 116.25 118.38 3iu9 h VAL 52 Ca 0.22 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3iu9 h VAL 52 Cb 0.13 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3iu9 h VAL 52 CO -0.02 0.10 0.40 0.00 0.02 0.00 0.00 177.57 178.06 3iu9 h ALA 53 N 0.06 0.94 -0.51 1.67 0.00 -1.22 -2.03 119.26 118.17 3iu9 h ALA 53 Ca -0.04 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3iu9 h ALA 53 Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3iu9 h ALA 53 CO 0.06 0.08 0.04 0.78 0.00 0.00 0.00 179.25 180.21 3iu9 h GLY 54 N 0.73 0.94 1.28 0.00 0.00 -0.83 -1.26 103.07 103.92 3iu9 h GLY 54 Ca 0.31 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3iu9 h GLY 54 CO -0.18 0.61 0.05 -0.09 0.00 0.00 0.00 176.54 176.93 3iu9 h ARG 55 N 0.74 0.89 -0.43 4.80 2.43 -1.08 -0.71 114.38 121.01 3iu9 h ARG 55 Ca 0.15 -0.23 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 3iu9 h ARG 55 Cb 0.46 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3iu9 h ARG 55 CO 0.02 0.85 -0.27 0.82 -1.51 0.00 0.00 179.97 179.88 3iu9 h ILE 56 N 0.83 1.27 -0.65 1.20 2.04 -1.20 -0.90 117.51 120.11 3iu9 h ILE 56 Ca 0.17 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 3iu9 h ILE 56 Cb 0.42 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3iu9 h ILE 56 CO 0.01 0.49 0.33 0.00 0.00 0.00 0.00 178.15 178.97 3iu9 h ALA 57 N 0.82 0.83 -0.46 1.87 0.00 -1.11 -1.24 119.26 119.97 3iu9 h ALA 57 Ca 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3iu9 h ALA 57 Cb 0.85 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3iu9 h ALA 57 CO 0.07 0.38 0.01 0.00 0.00 0.00 0.00 179.25 179.72 3iu9 h ALA 58 N 1.15 1.16 0.14 0.00 0.00 -0.88 -1.02 119.26 119.81 3iu9 h ALA 58 Ca 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iu9 h ALA 58 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3iu9 h ALA 58 CO -0.03 0.55 -0.10 0.78 0.00 0.00 0.00 179.25 180.45 3iu9 h GLY 59 N 0.96 -0.23 1.03 0.00 0.00 -0.76 -0.50 103.07 103.57 3iu9 h GLY 59 Ca 0.14 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 3iu9 h GLY 59 CO 0.02 -0.10 0.32 0.00 0.00 0.00 0.00 176.54 176.77 3iu9 h ALA 60 N 0.62 0.97 -0.52 3.60 0.00 -0.91 -0.46 119.26 122.56 3iu9 h ALA 60 Ca -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3iu9 h ALA 60 Cb 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3iu9 h ALA 60 CO -0.00 0.58 0.16 1.25 0.00 0.00 0.00 179.25 181.24 3iu9 h LEU 61 N 1.07 0.76 -0.37 0.00 5.85 -1.07 -0.40 115.31 121.14 3iu9 h LEU 61 Ca 0.25 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3iu9 h LEU 61 Cb 0.18 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3iu9 h LEU 61 CO -0.02 0.76 0.03 0.00 -0.34 0.00 0.00 178.44 178.87 3iu9 h ALA 62 N 1.02 0.50 -0.10 1.25 0.00 -0.74 0.11 119.26 121.30 3iu9 h ALA 62 Ca 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iu9 h ALA 62 Cb 0.27 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3iu9 h ALA 62 CO -0.01 0.24 0.06 0.93 0.00 0.00 0.00 179.25 180.47 3iu9 h GLU 63 N 0.47 0.13 -0.77 0.00 4.39 -1.00 -0.33 114.58 117.48 3iu9 h GLU 63 Ca 0.11 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3iu9 h GLU 63 Cb 0.42 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 3iu9 h GLU 63 CO 0.01 0.14 0.46 0.00 -1.16 0.00 0.00 179.01 178.46 3iu9 h ALA 64 N 0.99 1.36 -0.18 3.43 0.00 -1.00 -2.94 119.26 120.92 3iu9 h ALA 64 Ca 0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3iu9 h ALA 64 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3iu9 h ALA 64 CO -0.01 0.55 -0.39 0.78 0.00 0.00 0.00 179.25 180.19 3iu9 h GLY 65 N 1.08 0.44 2.00 0.00 0.00 -0.57 -1.88 103.07 104.14 3iu9 h GLY 65 Ca 0.28 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3iu9 h GLY 65 CO -0.05 0.38 -0.08 1.70 0.00 0.00 0.00 176.54 178.49 3iu9 h LYS 66 N 0.34 0.00 0.00 4.80 3.64 -0.89 -1.59 116.57 122.87 3iu9 h LYS 66 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3iu9 h LYS 66 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3iu9 h LYS 66 CO 0.07 0.08 0.00 0.00 -2.27 0.00 0.00 179.45 177.32 3iu9 n ALA 67 N -2.48 2.40 -2.33 5.00 0.00 -0.71 -4.85 120.51 117.55 3iu9 n ALA 67 Ca -0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 3iu9 n ALA 67 Cb 0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 3iu9 n ALA 67 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iu9 s VAL 68 N -2.68 3.92 -0.09 0.00 1.01 -0.60 -4.90 120.40 117.06 3iu9 s VAL 68 Ca 0.24 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 3iu9 s VAL 68 Cb 0.19 -3.84 0.12 0.00 0.00 0.00 0.00 36.38 32.85 3iu9 s VAL 68 CO 0.46 0.02 0.97 0.00 0.00 0.00 0.00 175.10 176.54 3iu9 s ALA 69 N 2.10 -1.89 0.35 5.51 0.00 -1.26 -4.90 121.76 121.66 3iu9 s ALA 69 Ca 0.60 1.32 -0.28 0.00 0.00 0.00 0.00 51.96 53.60 3iu9 s ALA 69 Cb -0.29 -0.12 -0.12 0.00 0.00 0.00 0.00 23.12 22.59 3iu9 s ALA 69 CO 0.25 -0.52 1.43 -2.30 0.00 0.00 0.00 175.76 174.63 3iu9 n PRO 70 N 0.19 2.48 0.00 0.00 -0.02 -1.26 -2.32 135.00 134.07 3iu9 n PRO 70 Ca -0.08 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3iu9 n PRO 70 Cb 0.60 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3iu9 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu9 n GLY 71 N 0.80 3.25 3.79 -1.23 0.00 0.28 -4.97 105.19 107.10 3iu9 n GLY 71 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3iu9 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iu9 s VAL 72 N -2.89 4.37 0.41 1.61 1.01 -0.98 -4.76 120.40 119.17 3iu9 s VAL 72 Ca 0.00 1.64 -0.02 0.00 0.00 0.00 0.00 61.98 63.60 3iu9 s VAL 72 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 3iu9 s VAL 72 CO 0.00 0.38 0.65 0.42 0.00 0.00 0.00 175.10 176.55 3iu9 s THR 73 N -1.32 4.91 0.35 3.92 -4.23 -1.26 -0.63 115.64 117.38 3iu9 s THR 73 Ca 0.40 -0.21 0.13 0.00 -1.18 0.00 0.00 61.69 60.83 3iu9 s THR 73 Cb -0.21 -3.82 0.08 0.00 1.34 0.00 0.00 72.50 69.89 3iu9 s THR 73 CO 0.25 -0.65 1.80 0.71 -0.54 0.00 0.00 174.62 176.19 3iu9 h THR 74 N 0.51 1.25 -0.60 3.99 1.35 -1.20 -2.02 112.91 116.19 3iu9 h THR 74 Ca -0.48 -1.39 0.02 0.00 -0.55 0.00 0.00 66.41 64.00 3iu9 h THR 74 Cb 1.22 1.76 -0.03 0.00 -1.73 0.00 0.00 68.15 69.36 3iu9 h THR 74 CO 0.61 0.39 0.40 -0.78 -0.25 0.00 0.00 175.52 175.89 3iu9 h ASP 75 N 0.00 0.66 -0.79 5.36 3.58 -1.46 -1.65 116.42 122.12 3iu9 h ASP 75 Ca -0.00 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 3iu9 h ASP 75 Cb 0.73 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.58 3iu9 h ASP 75 CO 0.05 0.47 0.42 -0.33 -2.88 0.00 0.00 179.24 176.97 3iu9 h GLU 76 N 0.78 1.12 -0.56 0.28 5.08 -1.65 -0.60 114.58 119.04 3iu9 h GLU 76 Ca 0.23 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3iu9 h GLU 76 Cb -0.03 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3iu9 h GLU 76 CO -0.05 0.83 0.00 -0.07 -1.00 0.00 0.00 179.01 178.72 3iu9 h LEU 77 N 1.12 0.96 -0.59 1.33 3.38 -1.16 -2.51 115.31 117.85 3iu9 h LEU 77 Ca 0.28 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3iu9 h LEU 77 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3iu9 h LEU 77 CO -0.04 1.03 0.30 -0.78 0.09 0.00 0.00 178.44 179.04 3iu9 h ASP 78 N 0.86 0.75 -0.68 -0.43 3.58 -0.84 -0.99 116.42 118.68 3iu9 h ASP 78 Ca 0.16 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 3iu9 h ASP 78 Cb 0.54 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 3iu9 h ASP 78 CO 0.03 0.66 0.28 -0.09 -2.88 0.00 0.00 179.24 177.23 3iu9 h ARG 79 N 0.80 1.04 -0.26 0.28 2.43 -0.91 0.81 114.38 118.56 3iu9 h ARG 79 Ca 0.20 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3iu9 h ARG 79 Cb 0.09 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3iu9 h ARG 79 CO -0.03 0.84 0.13 0.82 -1.51 0.00 0.00 179.97 180.22 3iu9 h ILE 80 N 1.01 1.15 -0.48 1.20 2.04 -1.08 -1.18 117.51 120.17 3iu9 h ILE 80 Ca 0.24 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 3iu9 h ILE 80 Cb 0.20 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3iu9 h ILE 80 CO -0.02 0.15 0.04 0.00 0.00 0.00 0.00 178.15 178.32 3iu9 h ALA 81 N 0.98 0.65 -0.47 1.87 0.00 -0.85 -1.88 119.26 119.56 3iu9 h ALA 81 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3iu9 h ALA 81 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3iu9 h ALA 81 CO -0.01 0.41 0.18 1.25 0.00 0.00 0.00 179.25 181.08 3iu9 h HIS 82 N 0.69 0.72 -0.15 0.00 -0.00 -0.68 -1.43 115.15 114.30 3iu9 h HIS 82 Ca 0.14 -0.06 -0.13 0.00 -0.00 0.00 0.00 60.37 60.32 3iu9 h HIS 82 Cb 0.45 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 3iu9 h HIS 82 CO 0.03 0.62 -0.48 0.93 -0.00 0.00 0.00 177.93 179.03 3iu9 h GLU 83 N 0.61 0.39 -0.47 5.26 5.08 -1.17 0.68 114.58 124.97 3iu9 h GLU 83 Ca 0.15 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3iu9 h GLU 83 Cb 0.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3iu9 h GLU 83 CO -0.01 0.79 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.86 3iu9 h TYR 84 N 0.31 0.90 0.32 4.33 5.03 -0.99 -0.11 116.97 126.77 3iu9 h TYR 84 Ca 0.02 -0.16 -0.02 0.00 2.58 0.00 0.00 58.73 61.16 3iu9 h TYR 84 Cb 0.96 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.01 3iu9 h TYR 84 CO 0.03 0.86 -0.16 -0.07 -1.32 0.00 0.00 178.16 177.51 3iu9 h LEU 85 N 0.68 -0.37 -1.02 2.82 3.38 -1.00 -2.20 115.31 117.60 3iu9 h LEU 85 Ca 0.13 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3iu9 h LEU 85 Cb 0.50 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3iu9 h LEU 85 CO 0.02 -0.09 0.15 0.58 0.09 0.00 0.00 178.44 179.19 3iu9 h VAL 86 N -0.65 1.23 0.00 1.22 2.07 -0.78 -0.87 116.25 118.47 3iu9 h VAL 86 Ca -0.04 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3iu9 h VAL 86 Cb 0.46 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3iu9 h VAL 86 CO 0.07 0.30 -0.08 0.44 0.02 0.00 0.00 177.57 178.33 3iu9 h ASP 87 N 0.82 0.00 -0.32 0.57 3.32 -1.00 -0.94 116.42 118.88 3iu9 h ASP 87 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3iu9 h ASP 87 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3iu9 h ASP 87 CO -0.00 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 178.19 3iu9 n ASN 88 N -3.27 2.09 -1.13 6.45 3.02 -0.62 -4.94 115.26 116.85 3iu9 n ASN 88 Ca -0.00 -2.10 -0.14 0.00 -0.03 0.00 0.00 54.58 52.31 3iu9 n ASN 88 Cb 0.29 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.10 3iu9 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iu9 n GLY 89 N 0.86 1.31 3.78 7.41 0.00 -0.36 -5.02 105.19 113.17 3iu9 n GLY 89 Ca 0.11 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 3iu9 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu9 s ALA 90 N -2.54 3.58 -0.02 4.61 0.00 -0.43 -4.84 121.76 122.12 3iu9 s ALA 90 Ca 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 50.94 3iu9 s ALA 90 Cb 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 3iu9 s ALA 90 CO 0.00 0.69 0.42 -0.47 0.00 0.00 0.00 175.76 176.39 3iu9 s TYR 91 N -1.18 3.69 -0.40 0.00 5.04 -0.42 -3.67 117.35 120.41 3iu9 s TYR 91 Ca 0.22 0.97 -0.29 0.00 -2.44 0.00 0.00 57.07 55.54 3iu9 s TYR 91 Cb -0.12 -2.33 0.02 0.00 0.35 0.00 0.00 41.96 39.88 3iu9 s TYR 91 CO 0.13 0.57 1.25 -2.14 -1.34 0.00 0.00 175.55 174.02 3iu9 s PRO 92 N -0.80 3.76 0.50 4.97 0.02 -1.26 -0.51 135.00 141.67 3iu9 s PRO 92 Ca 0.24 0.88 0.15 0.00 0.02 0.00 0.00 61.00 62.29 3iu9 s PRO 92 Cb -0.16 -3.92 1.19 0.00 0.02 0.00 0.00 34.50 31.63 3iu9 s PRO 92 CO 0.13 -1.33 2.11 0.77 -0.33 0.00 0.00 177.00 178.35 3iu9 h SER 93 N 9.57 0.10 0.47 2.53 0.02 -1.67 0.08 113.55 124.65 3iu9 h SER 93 Ca -0.25 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3iu9 h SER 93 Cb 1.08 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 3iu9 h SER 93 CO 1.08 0.07 -0.10 0.71 -1.14 0.00 0.00 176.83 177.45 3iu9 h THR 94 N 0.12 0.44 -3.32 -2.27 1.35 -1.83 -3.39 112.91 104.01 3iu9 h THR 94 Ca 0.06 -0.54 -0.56 0.00 -0.55 0.00 0.00 66.41 64.82 3iu9 h THR 94 Cb 0.09 1.38 -0.06 0.00 -1.73 0.00 0.00 68.15 67.83 3iu9 h THR 94 CO -0.01 0.10 1.04 -0.22 -0.25 0.00 0.00 175.52 176.18 3iu9 s LEU 95 N -6.97 3.56 0.00 3.87 2.96 0.01 -1.65 118.68 120.46 3iu9 s LEU 95 Ca -0.02 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 3iu9 s LEU 95 Cb 0.12 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 43.36 3iu9 s LEU 95 CO 0.57 -1.44 0.00 0.61 -1.32 0.00 0.00 176.35 174.77 3iu9 n GLY 96 N 5.06 0.69 3.64 7.98 0.00 0.39 -4.88 105.19 118.07 3iu9 n GLY 96 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3iu9 n GLY 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iu9 s TYR 97 N -2.62 2.67 -1.05 1.61 5.04 -0.66 -2.92 117.35 119.42 3iu9 s TYR 97 Ca 0.00 0.87 -0.06 0.00 -2.44 0.00 0.00 57.07 55.44 3iu9 s TYR 97 Cb 0.00 -3.74 0.05 0.00 0.35 0.00 0.00 41.96 38.62 3iu9 s TYR 97 CO 0.00 -1.91 0.28 1.63 -1.34 0.00 0.00 175.55 174.21 3iu9 n LYS 98 N 7.04 -2.87 -0.86 4.97 5.02 -1.26 -0.90 118.16 129.30 3iu9 n LYS 98 Ca 0.15 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 3iu9 n LYS 98 Cb 0.46 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.41 3iu9 n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iu9 n GLY 99 N -0.96 0.57 3.72 0.72 0.00 -1.15 -4.99 105.19 103.11 3iu9 n GLY 99 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3iu9 n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3iu9 s PHE 100 N -2.01 2.96 -1.89 1.61 5.36 -0.08 -4.74 117.98 119.19 3iu9 s PHE 100 Ca 0.00 0.56 0.27 0.00 -0.96 0.00 0.00 56.93 56.80 3iu9 s PHE 100 Cb 0.00 -4.02 0.89 0.00 -0.34 0.00 0.00 43.02 39.55 3iu9 s PHE 100 CO 0.00 -3.76 1.65 -0.35 -1.46 0.00 0.00 175.22 171.30 3iu9 n PRO 101 N 3.65 0.98 -2.06 10.12 -0.04 -1.26 -0.46 135.00 145.93 3iu9 n PRO 101 Ca 0.13 -0.54 -0.01 0.00 -0.04 0.00 0.00 63.50 63.05 3iu9 n PRO 101 Cb 0.37 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 3iu9 n PRO 101 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3iu9 n LYS 102 N -0.54 1.13 -0.03 0.54 4.76 -1.26 -4.76 118.16 118.00 3iu9 n LYS 102 Ca 0.14 -0.08 0.03 0.00 -2.87 0.00 0.00 58.31 55.53 3iu9 n LYS 102 Cb 0.34 0.04 0.05 0.00 -1.84 0.00 0.00 35.03 33.61 3iu9 n LYS 102 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3iu9 n SER 103 N -1.85 1.85 -3.54 4.39 7.64 -1.26 -3.16 113.62 117.69 3iu9 n SER 103 Ca -0.00 -1.50 -0.06 0.00 1.01 0.00 0.00 58.87 58.31 3iu9 n SER 103 Cb 0.01 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.17 3iu9 n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iu9 s THR 106 N -0.12 1.82 -0.39 0.00 -4.23 -0.53 -0.71 115.64 111.48 3iu9 s THR 106 Ca -0.02 -1.29 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 3iu9 s THR 106 Cb -0.14 -1.95 0.11 0.00 1.34 0.00 0.00 72.50 71.86 3iu9 s THR 106 CO 0.04 0.04 0.12 -0.44 -0.54 0.00 0.00 174.62 173.83 3iu9 s SER 107 N 1.28 4.54 0.29 3.99 0.01 0.42 -3.88 113.70 120.35 3iu9 s SER 107 Ca -0.05 -2.39 -0.17 0.00 1.31 0.00 0.00 55.95 54.64 3iu9 s SER 107 Cb -0.18 -1.56 -0.09 0.00 0.21 0.00 0.00 66.02 64.40 3iu9 s SER 107 CO -0.07 -0.33 0.75 -0.76 0.41 0.00 0.00 173.24 173.24 3iu9 s LEU 108 N 0.58 4.18 0.00 2.44 1.02 -1.26 -1.34 118.68 124.29 3iu9 s LEU 108 Ca 0.13 1.37 0.00 0.00 0.02 0.00 0.00 54.13 55.65 3iu9 s LEU 108 Cb -0.21 -3.90 0.00 0.00 0.02 0.00 0.00 46.19 42.09 3iu9 s LEU 108 CO -0.06 -0.11 0.00 0.59 0.02 0.00 0.00 176.35 176.78 3iu9 n ASN 109 N 0.08 0.00 -0.10 2.29 3.02 -0.52 -0.60 115.26 119.43 3iu9 n ASN 109 Ca 0.01 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.72 3iu9 n ASN 109 Cb 0.52 0.00 0.85 0.00 -0.61 0.00 0.00 39.78 40.54 3iu9 n ASN 109 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3iu9 n GLU 110 N 3.69 1.12 -2.64 3.52 0.00 -1.26 -1.73 120.64 123.34 3iu9 n GLU 110 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 57.16 56.52 3iu9 n GLU 110 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.92 3iu9 n GLU 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3iu9 s VAL 111 N -2.03 4.47 0.07 3.84 1.01 0.23 -1.51 120.40 126.48 3iu9 s VAL 111 Ca 0.45 1.67 -0.20 0.00 0.00 0.00 0.00 61.98 63.89 3iu9 s VAL 111 Cb 0.22 -4.44 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 3iu9 s VAL 111 CO 0.37 -0.55 1.51 0.40 0.00 0.00 0.00 175.10 176.82 3iu9 h ILE 112 N 5.80 1.25 -2.30 2.22 2.04 -0.76 -3.41 117.51 122.34 3iu9 h ILE 112 Ca -0.21 -0.84 0.18 0.00 1.00 0.00 0.00 64.86 64.99 3iu9 h ILE 112 Cb 1.06 1.44 -0.09 0.00 -0.74 0.00 0.00 36.82 38.49 3iu9 h ILE 112 CO 1.05 0.25 0.50 0.00 0.00 0.00 0.00 178.15 179.95 3iu9 n HIS 114 N -0.45 -0.14 -1.86 0.00 8.25 -1.26 -2.18 115.22 117.58 3iu9 n HIS 114 Ca -0.06 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.01 3iu9 n HIS 114 Cb 0.61 -2.19 0.03 0.00 1.12 0.00 0.00 29.99 29.56 3iu9 n HIS 114 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3iu9 s GLY 115 N -2.79 2.87 -0.26 -1.41 0.00 -1.25 -3.70 107.32 100.79 3iu9 s GLY 115 Ca 0.00 1.27 -0.09 0.00 0.00 0.00 0.00 44.72 45.90 3iu9 s GLY 115 CO 0.00 1.78 0.12 -0.42 0.00 0.00 0.00 173.10 174.58 3iu9 s ILE 116 N -1.34 4.76 0.23 0.90 1.01 -1.26 -1.45 121.20 124.05 3iu9 s ILE 116 Ca 0.70 -0.02 -0.31 0.00 0.00 0.00 0.00 60.65 61.02 3iu9 s ILE 116 Cb -0.39 -3.24 -0.14 0.00 0.01 0.00 0.00 42.46 38.70 3iu9 s ILE 116 CO 0.46 0.31 1.24 -2.65 0.00 0.00 0.00 174.94 174.30 3iu9 n PRO 117 N 4.88 1.58 0.00 2.79 -0.02 -1.26 -4.86 135.00 138.11 3iu9 n PRO 117 Ca -0.15 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3iu9 n PRO 117 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3iu9 n PRO 117 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3iu9 n ASP 118 N 1.87 0.00 0.00 2.55 5.75 -1.26 -4.66 116.55 120.80 3iu9 n ASP 118 Ca 0.12 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.99 3iu9 n ASP 118 Cb 0.29 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 40.90 3iu9 n ASP 118 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3iu9 n SER 119 N 0.00 0.00 -4.68 -1.12 3.41 -0.68 -1.29 113.62 109.26 3iu9 n SER 119 Ca 0.00 -0.44 -0.46 0.00 -0.26 0.00 0.00 58.87 57.71 3iu9 n SER 119 Cb 0.00 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 3iu9 n SER 119 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3iu9 n THR 120 N -1.06 0.20 -3.59 6.66 -1.04 -1.26 -4.84 114.28 109.35 3iu9 n THR 120 Ca 0.13 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.73 3iu9 n THR 120 Cb 0.08 -1.71 -0.09 0.00 -1.82 0.00 0.00 70.33 66.79 3iu9 n THR 120 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3iu9 s VAL 121 N 1.96 5.31 0.38 12.58 1.01 -1.26 -1.21 120.40 139.17 3iu9 s VAL 121 Ca 0.83 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.83 3iu9 s VAL 121 Cb -0.65 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 3iu9 s VAL 121 CO 0.41 0.30 1.11 -0.63 0.00 0.00 0.00 175.10 176.29 3iu9 s ILE 122 N 1.32 3.43 0.22 2.22 1.01 0.20 -4.90 121.20 124.70 3iu9 s ILE 122 Ca 0.10 1.19 0.02 0.00 0.00 0.00 0.00 60.65 61.96 3iu9 s ILE 122 Cb -0.14 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 3iu9 s ILE 122 CO 0.07 0.10 0.03 0.28 0.00 0.00 0.00 174.94 175.42 3iu9 s THR 123 N -1.47 0.77 0.21 2.92 -1.32 -1.26 -0.56 115.64 114.93 3iu9 s THR 123 Ca 0.55 -2.00 -0.32 0.00 -1.21 0.00 0.00 61.69 58.71 3iu9 s THR 123 Cb -0.27 -2.39 -0.14 0.00 -1.51 0.00 0.00 72.50 68.19 3iu9 s THR 123 CO 0.35 -0.25 1.35 0.47 -2.21 0.00 0.00 174.62 174.32 3iu9 n ASP 124 N -0.39 2.35 0.00 8.08 8.00 -1.26 -1.85 116.55 131.48 3iu9 n ASP 124 Ca -0.04 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.60 3iu9 n ASP 124 Cb 0.65 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 3iu9 n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iu9 n GLY 125 N 2.18 0.83 3.78 0.44 0.00 0.64 -4.64 105.19 108.41 3iu9 n GLY 125 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3iu9 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iu9 s ASP 126 N -2.60 5.16 -0.09 1.61 1.01 -0.77 -4.60 116.67 116.40 3iu9 s ASP 126 Ca 0.00 1.92 0.03 0.00 0.71 0.00 0.00 52.55 55.21 3iu9 s ASP 126 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3iu9 s ASP 126 CO 0.00 -1.59 -0.18 0.27 0.21 0.00 0.00 175.17 173.88 3iu9 s ILE 127 N -2.48 2.69 -0.21 0.77 -4.36 -1.26 -1.21 121.20 115.13 3iu9 s ILE 127 Ca 0.65 -0.82 0.01 0.00 -0.26 0.00 0.00 60.65 60.22 3iu9 s ILE 127 Cb -0.19 -2.06 0.05 0.00 1.25 0.00 0.00 42.46 41.51 3iu9 s ILE 127 CO 0.43 0.56 -0.07 -0.69 0.24 0.00 0.00 174.94 175.41 3iu9 s VAL 128 N -0.08 1.51 -0.09 8.37 1.01 0.40 -1.44 120.40 130.08 3iu9 s VAL 128 Ca -0.04 -1.07 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 3iu9 s VAL 128 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3iu9 s VAL 128 CO 0.04 0.01 0.72 0.21 0.00 0.00 0.00 175.10 176.09 3iu9 s ASN 129 N 1.43 6.97 -0.12 3.32 3.84 -0.45 -0.86 114.94 129.06 3iu9 s ASN 129 Ca -0.04 1.18 0.02 0.00 0.21 0.00 0.00 52.86 54.23 3iu9 s ASN 129 Cb -0.18 -2.42 -0.00 0.00 -0.55 0.00 0.00 41.25 38.10 3iu9 s ASN 129 CO -0.07 -0.17 -0.18 -0.63 -2.79 0.00 0.00 177.10 173.26 3iu9 s ILE 130 N 1.07 2.51 -0.20 -5.21 1.01 -0.66 -0.44 121.20 119.28 3iu9 s ILE 130 Ca 0.37 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3iu9 s ILE 130 Cb -0.18 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.30 3iu9 s ILE 130 CO 0.17 0.54 -0.15 -0.62 0.00 0.00 0.00 174.94 174.88 3iu9 s ASP 131 N 0.49 3.59 -0.07 3.58 -1.08 0.11 -2.32 116.67 120.98 3iu9 s ASP 131 Ca -0.12 -0.73 0.05 0.00 -0.52 0.00 0.00 52.55 51.23 3iu9 s ASP 131 Cb -0.17 -1.55 -0.01 0.00 -1.46 0.00 0.00 42.92 39.74 3iu9 s ASP 131 CO 0.05 -0.04 -0.23 -0.69 0.52 0.00 0.00 175.17 174.78 3iu9 s VAL 132 N 1.30 1.95 -0.01 1.11 1.01 -0.15 -1.71 120.40 123.90 3iu9 s VAL 132 Ca 0.03 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3iu9 s VAL 132 Cb -0.14 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 3iu9 s VAL 132 CO -0.10 0.54 -0.11 0.42 0.00 0.00 0.00 175.10 175.85 3iu9 s THR 133 N 0.01 0.90 -0.04 3.92 -4.23 -1.26 -1.83 115.64 113.12 3iu9 s THR 133 Ca -0.08 -0.49 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 3iu9 s THR 133 Cb -0.15 -0.75 -0.01 0.00 1.34 0.00 0.00 72.50 72.93 3iu9 s THR 133 CO 0.05 0.25 -0.21 0.00 -0.54 0.00 0.00 174.62 174.18 3iu9 s ALA 134 N -0.27 1.77 -0.20 3.99 0.00 -0.47 -1.86 121.76 124.72 3iu9 s ALA 134 Ca 0.04 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3iu9 s ALA 134 Cb -0.04 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.58 3iu9 s ALA 134 CO -0.00 0.37 -0.16 -0.47 0.00 0.00 0.00 175.76 175.50 3iu9 s TYR 135 N -0.23 2.90 -0.19 0.00 5.04 0.34 -1.26 117.35 123.95 3iu9 s TYR 135 Ca 0.01 -1.70 -0.26 0.00 -2.44 0.00 0.00 57.07 52.69 3iu9 s TYR 135 Cb -0.11 -1.95 0.07 0.00 0.35 0.00 0.00 41.96 40.32 3iu9 s TYR 135 CO 0.01 -0.79 0.67 -1.50 -1.34 0.00 0.00 175.55 172.60 3iu9 s ILE 136 N 1.28 0.00 -1.09 3.14 2.07 -0.58 -1.31 121.20 124.71 3iu9 s ILE 136 Ca 0.02 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3iu9 s ILE 136 Cb -0.15 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.49 3iu9 s ILE 136 CO -0.10 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.53 3iu9 n GLY 137 N 2.17 1.16 2.27 1.50 0.00 -1.26 -2.59 105.19 108.44 3iu9 n GLY 137 Ca -0.16 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3iu9 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iu9 n GLY 138 N -1.51 0.46 3.16 -0.02 0.00 -1.26 -4.98 105.19 101.05 3iu9 n GLY 138 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 3iu9 n GLY 138 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iu9 s VAL 139 N -2.02 0.61 0.13 1.61 -7.23 -1.07 -4.40 120.40 108.03 3iu9 s VAL 139 Ca 0.00 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 3iu9 s VAL 139 Cb 0.00 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 3iu9 s VAL 139 CO 0.00 -0.84 0.02 -1.00 -0.31 0.00 0.00 175.10 172.97 3iu9 s HIS 140 N -3.68 2.96 0.02 2.82 0.09 -0.43 -1.53 115.29 115.54 3iu9 s HIS 140 Ca 0.13 -0.07 0.06 0.00 -0.00 0.00 0.00 55.06 55.18 3iu9 s HIS 140 Cb 0.06 -1.48 -0.02 0.00 -0.00 0.00 0.00 32.58 31.14 3iu9 s HIS 140 CO -0.04 0.50 -0.17 0.20 -0.00 0.00 0.00 174.74 175.23 3iu9 s GLY 141 N -2.65 0.87 -0.03 -2.22 0.00 -0.39 -4.69 107.32 98.21 3iu9 s GLY 141 Ca 0.27 -0.83 -0.00 0.00 0.00 0.00 0.00 44.72 44.16 3iu9 s GLY 141 CO 0.19 -0.75 0.02 -0.35 0.00 0.00 0.00 173.10 172.21 3iu9 s ASP 142 N -0.81 0.51 0.02 1.64 3.68 -1.26 -1.37 116.67 119.08 3iu9 s ASP 142 Ca 0.05 0.00 -0.25 0.00 2.13 0.00 0.00 52.55 54.48 3iu9 s ASP 142 Cb -0.07 -0.19 0.06 0.00 -1.45 0.00 0.00 42.92 41.27 3iu9 s ASP 142 CO 0.01 -0.13 0.58 0.28 0.13 0.00 0.00 175.17 176.03 3iu9 s THR 143 N 1.25 0.02 0.10 1.71 -1.32 -0.76 -2.89 115.64 113.74 3iu9 s THR 143 Ca -0.07 -0.13 -0.22 0.00 -1.21 0.00 0.00 61.69 60.06 3iu9 s THR 143 Cb -0.13 -0.97 0.06 0.00 -1.51 0.00 0.00 72.50 69.95 3iu9 s THR 143 CO -0.02 -0.07 0.54 0.54 -2.21 0.00 0.00 174.62 173.40 3iu9 s ASN 144 N -1.76 -0.47 0.08 8.08 2.20 -0.70 -0.98 114.94 121.40 3iu9 s ASN 144 Ca -0.07 0.06 -0.17 0.00 -0.94 0.00 0.00 52.86 51.74 3iu9 s ASN 144 Cb -0.01 0.54 0.03 0.00 -2.00 0.00 0.00 41.25 39.81 3iu9 s ASN 144 CO 0.01 -0.84 0.40 0.00 -2.94 0.00 0.00 177.10 173.74 3iu9 s ALA 145 N -3.12 -0.96 -0.18 3.54 0.00 -0.98 -1.53 121.76 118.53 3iu9 s ALA 145 Ca -0.02 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.01 3iu9 s ALA 145 Cb -0.00 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 3iu9 s ALA 145 CO -0.07 -0.55 0.01 0.99 0.00 0.00 0.00 175.76 176.14 3iu9 s THR 146 N -3.14 4.17 -0.11 0.00 2.01 -1.15 -1.65 115.64 115.77 3iu9 s THR 146 Ca -0.01 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.76 3iu9 s THR 146 Cb 0.01 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 3iu9 s THR 146 CO -0.07 0.45 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.76 3iu9 s PHE 147 N 0.66 2.67 0.42 4.92 0.40 -0.04 -4.88 117.98 122.13 3iu9 s PHE 147 Ca 0.00 -0.89 -0.23 0.00 -0.60 0.00 0.00 56.93 55.21 3iu9 s PHE 147 Cb -0.14 -1.77 -0.09 0.00 0.51 0.00 0.00 43.02 41.53 3iu9 s PHE 147 CO 0.02 -0.34 1.06 -1.25 0.70 0.00 0.00 175.22 175.41 3iu9 s PRO 148 N 0.37 4.08 -0.28 0.24 0.04 -1.26 -0.46 135.00 137.72 3iu9 s PRO 148 Ca -0.15 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.39 3iu9 s PRO 148 Cb -0.17 -2.48 0.03 0.00 0.04 0.00 0.00 34.50 31.92 3iu9 s PRO 148 CO 0.07 -0.22 -0.00 0.00 0.04 0.00 0.00 177.00 176.89 3iu9 s ALA 149 N -1.68 2.83 0.00 8.56 0.00 -0.35 -4.83 121.76 126.29 3iu9 s ALA 149 Ca 0.59 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3iu9 s ALA 149 Cb -0.22 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.00 3iu9 s ALA 149 CO 0.28 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3iu9 n GLY 150 N 4.70 0.56 3.63 0.00 0.00 -1.26 -0.26 105.19 112.56 3iu9 n GLY 150 Ca -0.15 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 3iu9 n GLY 150 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iu9 s ASP 151 N -4.00 6.62 -0.05 1.61 1.01 -1.26 -4.69 116.67 115.91 3iu9 s ASP 151 Ca 0.00 0.74 -0.06 0.00 0.71 0.00 0.00 52.55 53.94 3iu9 s ASP 151 Cb 0.00 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 3iu9 s ASP 151 CO 0.00 -0.42 0.20 -0.69 0.21 0.00 0.00 175.17 174.47 3iu9 s VAL 152 N 2.59 5.41 0.55 -1.27 1.01 -1.26 -3.55 120.40 123.89 3iu9 s VAL 152 Ca 0.28 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.17 3iu9 s VAL 152 Cb -0.15 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3iu9 s VAL 152 CO 0.09 0.47 1.22 0.00 0.00 0.00 0.00 175.10 176.87 3iu9 n ALA 153 N 1.46 1.05 -0.25 5.51 0.00 -1.26 -4.60 120.51 122.41 3iu9 n ALA 153 Ca -0.15 0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.40 3iu9 n ALA 153 Cb 0.54 -2.26 0.14 0.00 0.00 0.00 0.00 19.45 17.86 3iu9 n ALA 153 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3iu9 h ASP 154 N 1.14 0.51 -0.82 0.00 3.32 -1.99 0.04 116.42 118.63 3iu9 h ASP 154 Ca -0.49 0.05 0.08 0.00 0.02 0.00 0.00 57.03 56.69 3iu9 h ASP 154 Cb 1.33 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.77 3iu9 h ASP 154 CO 0.55 0.30 0.48 -0.08 -1.72 0.00 0.00 179.24 178.77 3iu9 h GLU 155 N 0.64 0.80 0.13 3.56 4.81 -1.99 -0.23 114.58 122.31 3iu9 h GLU 155 Ca 0.35 -0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 59.24 3iu9 h GLU 155 Cb 0.35 -0.18 0.03 0.00 0.63 0.00 0.00 28.75 29.57 3iu9 h GLU 155 CO -0.25 0.53 -1.25 0.45 -0.73 0.00 0.00 179.01 177.75 3iu9 h HIS 156 N 0.83 0.96 -0.54 0.92 3.86 -1.70 -2.41 115.15 117.06 3iu9 h HIS 156 Ca 0.38 -0.61 0.05 0.00 -1.16 0.00 0.00 60.37 59.03 3iu9 h HIS 156 Cb 0.30 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.65 3iu9 h HIS 156 CO -0.05 1.46 0.27 -0.09 0.86 0.00 0.00 177.93 180.38 3iu9 h ARG 157 N 0.25 0.51 -0.25 2.45 2.43 -0.81 -1.97 114.38 116.99 3iu9 h ARG 157 Ca -0.19 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.80 3iu9 h ARG 157 Cb 1.93 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 3iu9 h ARG 157 CO 0.24 0.34 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.48 3iu9 h LEU 158 N 0.53 0.74 -0.44 3.80 3.38 -1.08 -0.50 115.31 121.74 3iu9 h LEU 158 Ca 0.24 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3iu9 h LEU 158 Cb 0.16 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3iu9 h LEU 158 CO -0.17 1.10 0.18 0.25 0.09 0.00 0.00 178.44 179.88 3iu9 h LEU 159 N 0.54 0.21 -0.12 1.67 5.85 -1.22 -0.68 115.31 121.57 3iu9 h LEU 159 Ca 0.03 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3iu9 h LEU 159 Cb 1.03 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3iu9 h LEU 159 CO 0.10 0.16 0.01 0.58 -0.34 0.00 0.00 178.44 178.94 3iu9 h VAL 160 N 0.36 1.24 -0.31 1.05 2.07 -0.97 -0.39 116.25 119.29 3iu9 h VAL 160 Ca 0.20 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 3iu9 h VAL 160 Cb 0.17 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3iu9 h VAL 160 CO -0.18 0.22 -0.07 0.44 0.02 0.00 0.00 177.57 178.00 3iu9 h ASP 161 N -0.05 0.48 0.62 0.57 3.32 -0.89 -1.34 116.42 119.14 3iu9 h ASP 161 Ca 0.03 -0.11 -0.24 0.00 0.02 0.00 0.00 57.03 56.73 3iu9 h ASP 161 Cb 0.33 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3iu9 h ASP 161 CO 0.00 0.60 -1.08 0.03 -1.72 0.00 0.00 179.24 177.07 3iu9 h ARG 162 N 0.48 0.24 -0.55 3.56 3.08 -0.98 -0.96 114.38 119.25 3iu9 h ARG 162 Ca 0.10 -0.35 -0.09 0.00 0.07 0.00 0.00 59.98 59.71 3iu9 h ARG 162 Cb 0.42 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3iu9 h ARG 162 CO 0.02 1.12 -0.00 1.15 -1.07 0.00 0.00 179.97 181.19 3iu9 h THR 163 N 0.10 1.26 -0.55 2.04 2.02 -0.68 0.20 112.91 117.30 3iu9 h THR 163 Ca -0.09 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 3iu9 h THR 163 Cb 1.78 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.05 3iu9 h THR 163 CO 0.17 0.40 0.32 -0.09 0.37 0.00 0.00 175.52 176.69 3iu9 h ARG 164 N 0.86 0.76 -0.70 6.66 2.43 -1.14 -1.43 114.38 121.82 3iu9 h ARG 164 Ca 0.16 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3iu9 h ARG 164 Cb 0.54 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3iu9 h ARG 164 CO 0.03 0.57 0.23 1.49 -1.51 0.00 0.00 179.97 180.78 3iu9 h GLU 165 N 0.74 1.08 -0.87 0.20 4.57 -0.83 -0.44 114.58 119.03 3iu9 h GLU 165 Ca 0.20 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3iu9 h GLU 165 Cb 0.02 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 3iu9 h GLU 165 CO -0.03 0.93 0.44 0.00 -1.18 0.00 0.00 179.01 179.17 3iu9 h ALA 166 N 1.10 1.13 -0.36 2.92 0.00 -0.36 0.89 119.26 124.59 3iu9 h ALA 166 Ca 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3iu9 h ALA 166 Cb 0.29 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3iu9 h ALA 166 CO -0.01 0.67 0.10 1.15 0.00 0.00 0.00 179.25 181.15 3iu9 h THR 167 N 1.23 1.22 -0.57 0.00 2.02 -0.79 -1.39 112.91 114.63 3iu9 h THR 167 Ca 0.30 -0.74 -0.11 0.00 0.77 0.00 0.00 66.41 66.63 3iu9 h THR 167 Cb 0.08 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3iu9 h THR 167 CO -0.04 0.25 -0.07 0.24 0.37 0.00 0.00 175.52 176.27 3iu9 h MET 168 N 0.43 1.06 -0.91 6.66 2.07 -0.65 -0.07 114.93 123.53 3iu9 h MET 168 Ca 0.11 -0.37 -0.00 0.00 -2.07 0.00 0.00 59.70 57.37 3iu9 h MET 168 Cb 0.29 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 29.90 3iu9 h MET 168 CO -0.00 1.08 0.56 0.00 1.07 0.00 0.00 176.91 179.61 3iu9 h ARG 169 N 0.95 1.22 -0.43 1.72 3.08 -0.72 -1.45 114.38 118.75 3iu9 h ARG 169 Ca 0.15 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3iu9 h ARG 169 Cb 0.64 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3iu9 h ARG 169 CO 0.04 0.85 0.05 0.00 -1.07 0.00 0.00 179.97 179.84 3iu9 h ALA 170 N 1.37 0.58 -0.62 0.04 0.00 -0.88 -2.75 119.26 116.99 3iu9 h ALA 170 Ca 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iu9 h ALA 170 Cb -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3iu9 h ALA 170 CO -0.06 0.31 0.38 0.82 0.00 0.00 0.00 179.25 180.70 3iu9 h ILE 171 N 0.58 1.17 0.00 0.00 2.04 -0.72 -2.41 117.51 118.17 3iu9 h ILE 171 Ca 0.13 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3iu9 h ILE 171 Cb 0.41 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3iu9 h ILE 171 CO 0.01 0.18 0.00 0.59 0.00 0.00 0.00 178.15 178.93 3iu9 n ASN 172 N -4.42 0.00 -0.09 1.72 3.02 -0.57 -1.33 115.26 113.58 3iu9 n ASN 172 Ca 0.06 0.37 0.13 0.00 -0.03 0.00 0.00 54.58 55.12 3iu9 n ASN 172 Cb 0.06 -0.45 0.45 0.00 -0.61 0.00 0.00 39.78 39.23 3iu9 n ASN 172 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3iu9 n THR 173 N -1.45 0.00 -2.61 3.41 -2.24 -0.91 -4.92 114.28 105.56 3iu9 n THR 173 Ca 0.07 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 3iu9 n THR 173 Cb 0.25 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 3iu9 n THR 173 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3iu9 s VAL 174 N -2.72 4.60 -0.20 2.28 1.01 -0.45 -4.96 120.40 119.97 3iu9 s VAL 174 Ca 0.20 1.88 -0.28 0.00 0.00 0.00 0.00 61.98 63.78 3iu9 s VAL 174 Cb 0.19 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.48 3iu9 s VAL 174 CO 0.56 0.06 0.95 -0.75 0.00 0.00 0.00 175.10 175.93 3iu9 s LYS 175 N 1.62 0.64 0.40 2.72 2.20 -1.26 -3.44 119.74 122.62 3iu9 s LYS 175 Ca 0.52 0.40 -0.27 0.00 -0.36 0.00 0.00 55.97 56.26 3iu9 s LYS 175 Cb -0.22 0.30 -0.10 0.00 -1.51 0.00 0.00 37.83 36.30 3iu9 s LYS 175 CO 0.23 -0.15 1.49 -1.25 -0.36 0.00 0.00 175.35 175.31 3iu9 s PRO 176 N -0.49 4.00 0.00 4.03 0.04 -1.26 -2.60 135.00 138.71 3iu9 s PRO 176 Ca -0.01 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3iu9 s PRO 176 Cb -0.02 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.62 3iu9 s PRO 176 CO -0.00 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.83 3iu9 n GLY 177 N 0.46 2.99 3.76 0.56 0.00 0.41 -5.00 105.19 108.38 3iu9 n GLY 177 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3iu9 n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iu9 s ARG 178 N -0.71 4.48 0.23 1.61 6.06 -1.07 -4.79 118.95 124.77 3iu9 s ARG 178 Ca 0.00 1.74 -0.30 0.00 -2.50 0.00 0.00 55.73 54.67 3iu9 s ARG 178 Cb 0.00 -3.00 -0.09 0.00 0.06 0.00 0.00 34.95 31.92 3iu9 s ARG 178 CO 0.00 0.09 1.36 0.00 -2.50 0.00 0.00 175.30 174.25 3iu9 s ALA 179 N -1.30 3.56 0.48 6.12 0.00 -1.26 -0.81 121.76 128.55 3iu9 s ALA 179 Ca 0.49 1.20 0.19 0.00 0.00 0.00 0.00 51.96 53.84 3iu9 s ALA 179 Cb -0.30 -3.51 1.20 0.00 0.00 0.00 0.00 23.12 20.52 3iu9 s ALA 179 CO 0.38 -0.62 1.99 1.25 0.00 0.00 0.00 175.76 178.76 3iu9 h LEU 180 N 5.04 0.19 -0.67 0.00 5.85 -1.32 -1.34 115.31 123.06 3iu9 h LEU 180 Ca -0.46 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3iu9 h LEU 180 Cb 1.22 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3iu9 h LEU 180 CO 0.76 0.11 0.00 -1.54 -0.34 0.00 0.00 178.44 177.43 3iu9 n SER 181 N -4.44 0.33 0.22 1.25 3.41 -1.26 -1.95 113.62 111.17 3iu9 n SER 181 Ca 0.09 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.39 3iu9 n SER 181 Cb 0.46 -0.68 0.49 0.00 -0.26 0.00 0.00 64.21 64.22 3iu9 n SER 181 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3iu9 h VAL 182 N 0.00 1.04 0.55 -3.33 -1.51 -1.62 -2.29 116.25 109.08 3iu9 h VAL 182 Ca 0.00 -0.89 -0.02 0.00 -1.23 0.00 0.00 66.70 64.56 3iu9 h VAL 182 Cb 0.09 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 3iu9 h VAL 182 CO 0.00 0.24 -0.36 0.40 -1.23 0.00 0.00 177.57 176.63 3iu9 h ILE 183 N 0.00 0.27 -0.00 7.19 2.04 -1.61 -0.52 117.51 124.87 3iu9 h ILE 183 Ca -0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 3iu9 h ILE 183 Cb 0.48 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3iu9 h ILE 183 CO 0.03 0.00 -0.42 1.23 0.00 0.00 0.00 178.15 179.00 3iu9 h GLY 184 N -0.87 0.01 0.76 5.37 0.00 -1.40 -1.35 103.07 105.58 3iu9 h GLY 184 Ca -0.06 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.29 3iu9 h GLY 184 CO 0.05 0.01 0.05 -0.09 0.00 0.00 0.00 176.54 176.55 3iu9 h ARG 185 N 0.01 0.13 -0.23 4.80 2.43 -1.18 -1.25 114.38 119.09 3iu9 h ARG 185 Ca -0.00 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3iu9 h ARG 185 Cb 0.74 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3iu9 h ARG 185 CO 0.05 0.09 -0.05 0.28 -1.51 0.00 0.00 179.97 178.83 3iu9 h VAL 186 N 0.14 1.28 -0.16 0.20 2.07 -0.90 -1.51 116.25 117.37 3iu9 h VAL 186 Ca 0.10 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 3iu9 h VAL 186 Cb 0.09 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3iu9 h VAL 186 CO -0.13 0.32 0.08 0.40 0.02 0.00 0.00 177.57 178.26 3iu9 h ILE 187 N 0.17 1.13 -0.26 4.57 2.04 -1.23 -1.90 117.51 122.03 3iu9 h ILE 187 Ca 0.06 -0.38 -0.14 0.00 1.00 0.00 0.00 64.86 65.40 3iu9 h ILE 187 Cb 0.50 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3iu9 h ILE 187 CO 0.02 0.12 -0.39 -0.08 0.00 0.00 0.00 178.15 177.82 3iu9 h GLU 188 N 0.13 0.62 -0.14 2.37 4.81 -1.25 0.14 114.58 121.27 3iu9 h GLU 188 Ca 0.06 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3iu9 h GLU 188 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3iu9 h GLU 188 CO -0.01 0.91 0.08 1.03 -0.73 0.00 0.00 179.01 180.29 3iu9 h SER 189 N 0.51 0.17 0.01 1.04 0.87 -1.23 0.56 113.55 115.48 3iu9 h SER 189 Ca 0.04 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3iu9 h SER 189 Cb 0.91 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3iu9 h SER 189 CO 0.08 0.16 -0.00 0.22 -0.53 0.00 0.00 176.83 176.76 3iu9 h TYR 190 N 0.15 -0.01 -0.87 2.24 3.20 -1.12 -2.83 116.97 117.74 3iu9 h TYR 190 Ca 0.05 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.97 3iu9 h TYR 190 Cb 0.03 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 3iu9 h TYR 190 CO -0.05 0.16 0.55 0.00 -1.64 0.00 0.00 178.16 177.18 3iu9 h ALA 191 N 0.81 1.17 -0.06 1.82 0.00 -0.84 -2.17 119.26 119.99 3iu9 h ALA 191 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3iu9 h ALA 191 Cb 0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3iu9 h ALA 191 CO 0.00 0.34 0.05 -0.91 0.00 0.00 0.00 179.25 178.73 3iu9 h ASN 192 N 1.03 0.00 -0.90 0.00 2.35 -0.69 -1.70 115.58 115.67 3iu9 h ASN 192 Ca 0.36 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 56.36 3iu9 h ASN 192 Cb 0.09 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 3iu9 h ASN 192 CO -0.15 0.00 0.63 0.03 -1.65 0.00 0.00 177.43 176.29 3iu9 h ARG 193 N 0.00 0.14 -0.21 0.81 3.08 -1.15 -2.13 114.38 114.92 3iu9 h ARG 193 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3iu9 h ARG 193 Cb 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3iu9 h ARG 193 CO -0.00 0.09 0.00 1.19 -1.07 0.00 0.00 179.97 180.18 3iu9 n PHE 194 N -4.36 0.28 -2.10 3.04 3.01 -0.69 -4.96 117.46 111.68 3iu9 n PHE 194 Ca 0.19 -0.39 -0.17 0.00 1.01 0.00 0.00 57.45 58.09 3iu9 n PHE 194 Cb 0.88 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 40.30 3iu9 n PHE 194 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iu9 n GLY 195 N 0.32 0.22 3.86 1.37 0.00 -0.80 -5.03 105.19 105.12 3iu9 n GLY 195 Ca 0.08 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3iu9 n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iu9 s TYR 196 N -2.80 3.53 -0.19 1.61 2.02 -0.92 -4.96 117.35 115.65 3iu9 s TYR 196 Ca 0.00 1.37 -0.04 0.00 -0.37 0.00 0.00 57.07 58.03 3iu9 s TYR 196 Cb 0.00 -2.74 -0.02 0.00 -0.40 0.00 0.00 41.96 38.79 3iu9 s TYR 196 CO 0.00 -0.49 -0.02 -0.80 -1.57 0.00 0.00 175.55 172.67 3iu9 s ASN 197 N -3.55 4.73 -0.09 2.29 0.01 -0.63 -4.31 114.94 113.39 3iu9 s ASN 197 Ca 0.57 -0.20 -0.21 0.00 -0.71 0.00 0.00 52.86 52.31 3iu9 s ASN 197 Cb -0.10 -1.80 -0.04 0.00 0.41 0.00 0.00 41.25 39.72 3iu9 s ASN 197 CO 0.41 0.09 0.58 -0.69 -1.51 0.00 0.00 177.10 175.98 3iu9 s VAL 198 N 0.84 5.11 0.31 1.60 1.01 -1.26 -1.05 120.40 126.96 3iu9 s VAL 198 Ca -0.00 1.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.87 3iu9 s VAL 198 Cb -0.14 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 3iu9 s VAL 198 CO 0.02 0.30 1.39 -0.69 0.00 0.00 0.00 175.10 176.11 3iu9 s VAL 199 N 0.65 2.56 -0.20 2.92 1.01 -0.17 -4.93 120.40 122.23 3iu9 s VAL 199 Ca 0.31 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.87 3iu9 s VAL 199 Cb -0.16 -3.34 -0.15 0.00 0.00 0.00 0.00 36.38 32.72 3iu9 s VAL 199 CO 0.14 0.11 -0.12 0.54 0.00 0.00 0.00 175.10 175.77 3iu9 n ARG 200 N 1.22 0.74 0.01 2.72 1.74 -1.26 -4.61 116.66 117.21 3iu9 n ARG 200 Ca 0.02 0.09 0.14 0.00 -0.77 0.00 0.00 57.85 57.33 3iu9 n ARG 200 Cb 0.41 -1.42 0.59 0.00 -1.02 0.00 0.00 32.46 31.02 3iu9 n ARG 200 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3iu9 n ASP 201 N -2.98 0.06 -4.31 0.55 8.00 -1.26 -4.63 116.55 111.98 3iu9 n ASP 201 Ca -0.34 0.51 -0.29 0.00 0.71 0.00 0.00 54.79 55.37 3iu9 n ASP 201 Cb 0.93 -0.52 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 3iu9 n ASP 201 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3iu9 s PHE 202 N -3.01 2.21 0.22 1.24 0.40 -1.26 -5.13 117.98 112.64 3iu9 s PHE 202 Ca 0.13 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 56.05 3iu9 s PHE 202 Cb 0.18 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 3iu9 s PHE 202 CO 0.52 0.06 0.16 0.95 0.70 0.00 0.00 175.22 177.61 3iu9 s THR 203 N -0.72 0.00 0.89 0.64 -4.23 -1.26 -4.80 115.64 106.16 3iu9 s THR 203 Ca 0.10 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.51 3iu9 s THR 203 Cb -0.10 -2.49 0.13 0.00 1.34 0.00 0.00 72.50 71.38 3iu9 s THR 203 CO 0.01 0.00 1.16 -0.83 -0.54 0.00 0.00 174.62 174.41 3iu9 s GLY 204 N -3.18 1.59 -0.06 3.99 0.00 -0.06 -4.87 107.32 104.73 3iu9 s GLY 204 Ca 0.39 -0.60 -0.19 0.00 0.00 0.00 0.00 44.72 44.31 3iu9 s GLY 204 CO 0.14 -0.04 0.44 -2.38 0.00 0.00 0.00 173.10 171.26 3iu9 s HIS 205 N -3.38 -0.38 0.64 1.90 -3.43 -1.25 -1.50 115.29 107.89 3iu9 s HIS 205 Ca 0.64 0.71 -0.18 0.00 -0.80 0.00 0.00 55.06 55.43 3iu9 s HIS 205 Cb -0.13 0.19 -0.02 0.00 -1.43 0.00 0.00 32.58 31.20 3iu9 s HIS 205 CO 0.52 -0.41 1.25 0.41 -2.00 0.00 0.00 174.74 174.51 3iu9 n GLY 206 N 1.53 0.45 3.29 -1.38 0.00 0.02 -0.91 105.19 108.18 3iu9 n GLY 206 Ca -0.19 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 3iu9 n GLY 206 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3iu9 s ILE 207 N -1.40 0.00 0.00 -0.61 2.07 -1.06 -1.43 121.20 118.78 3iu9 s ILE 207 Ca 0.82 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 60.02 3iu9 s ILE 207 Cb -0.39 -0.56 0.00 0.00 0.13 0.00 0.00 42.46 41.64 3iu9 s ILE 207 CO 0.41 -0.02 0.00 0.61 -1.91 0.00 0.00 174.94 174.03 3iu9 n GLY 208 N 2.74 0.63 0.00 1.50 0.00 -1.26 -4.61 105.19 104.18 3iu9 n GLY 208 Ca -0.14 0.44 0.12 0.00 0.00 0.00 0.00 46.02 46.45 3iu9 n GLY 208 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iu9 n THR 209 N 0.00 0.28 -4.30 2.61 -2.24 -1.26 -1.31 114.28 108.05 3iu9 n THR 209 Ca 0.00 0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 3iu9 n THR 209 Cb 0.00 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 67.48 3iu9 n THR 209 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iu9 s THR 210 N -3.00 1.57 -0.10 4.28 -4.23 -1.26 -4.75 115.64 108.15 3iu9 s THR 210 Ca 0.12 -1.97 -0.25 0.00 -1.18 0.00 0.00 61.69 58.41 3iu9 s THR 210 Cb 0.16 -1.81 -0.28 0.00 1.34 0.00 0.00 72.50 71.91 3iu9 s THR 210 CO 0.46 -0.49 0.79 0.15 -0.54 0.00 0.00 174.62 174.98 3iu9 h PHE 211 N 3.05 0.24 -3.54 3.99 3.57 -1.87 -3.40 116.94 118.99 3iu9 h PHE 211 Ca -0.39 -0.18 -0.71 0.00 3.53 0.00 0.00 57.97 60.22 3iu9 h PHE 211 Cb 1.21 -0.01 -0.34 0.00 2.79 0.00 0.00 35.95 39.60 3iu9 h PHE 211 CO 0.68 1.17 -0.36 -1.01 -2.23 0.00 0.00 178.31 176.57 3iu9 s HIS 212 N -2.32 3.47 -2.07 0.41 3.76 -1.26 -4.32 115.29 112.96 3iu9 s HIS 212 Ca -0.17 -2.53 0.26 0.00 -0.15 0.00 0.00 55.06 52.46 3iu9 s HIS 212 Cb -0.01 -3.28 1.47 0.00 1.11 0.00 0.00 32.58 31.87 3iu9 s HIS 212 CO 0.75 -0.89 1.96 0.27 -0.85 0.00 0.00 174.74 175.97 3iu9 n ASN 213 N 3.82 0.27 0.00 1.40 0.23 -0.51 -2.58 115.26 117.88 3iu9 n ASN 213 Ca 0.05 -1.24 0.00 0.00 -0.53 0.00 0.00 54.58 52.86 3iu9 n ASN 213 Cb 0.39 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 3iu9 n ASN 213 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3iu9 n GLY 214 N 0.95 2.83 3.71 4.83 0.00 -1.26 -2.58 105.19 113.68 3iu9 n GLY 214 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3iu9 n GLY 214 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iu9 s LEU 215 N 0.00 4.37 -0.08 0.99 2.96 -1.26 -4.93 118.68 120.72 3iu9 s LEU 215 Ca 0.00 2.40 0.01 0.00 -0.22 0.00 0.00 54.13 56.32 3iu9 s LEU 215 Cb 0.00 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 3iu9 s LEU 215 CO 0.00 -0.71 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.52 3iu9 s VAL 216 N 1.24 3.35 -0.33 1.68 1.01 -1.26 -0.80 120.40 125.28 3iu9 s VAL 216 Ca 0.66 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3iu9 s VAL 216 Cb -0.39 -2.37 0.08 0.00 0.00 0.00 0.00 36.38 33.71 3iu9 s VAL 216 CO 0.30 0.57 0.05 -0.69 0.00 0.00 0.00 175.10 175.34 3iu9 s VAL 217 N -0.45 2.74 0.37 2.92 1.01 -0.56 -4.93 120.40 121.50 3iu9 s VAL 217 Ca 0.06 -1.88 -0.25 0.00 0.00 0.00 0.00 61.98 59.91 3iu9 s VAL 217 Cb -0.12 -2.79 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 3iu9 s VAL 217 CO 0.02 -0.39 1.03 -0.76 0.00 0.00 0.00 175.10 175.00 3iu9 s LEU 218 N 1.10 4.22 0.00 3.92 1.43 -1.26 -0.88 118.68 127.20 3iu9 s LEU 218 Ca 0.02 2.01 0.23 0.00 -1.03 0.00 0.00 54.13 55.37 3iu9 s LEU 218 Cb -0.20 -4.10 0.31 0.00 0.03 0.00 0.00 46.19 42.23 3iu9 s LEU 218 CO -0.05 -0.37 1.32 1.41 0.23 0.00 0.00 176.35 178.89 3iu9 n HIS 219 N 0.17 0.28 -3.85 0.29 8.25 -1.26 -2.98 115.22 116.12 3iu9 n HIS 219 Ca 0.04 -0.14 -0.23 0.00 -0.26 0.00 0.00 57.72 57.12 3iu9 n HIS 219 Cb 0.49 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 3iu9 n HIS 219 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3iu9 s TYR 220 N -1.66 2.44 -0.23 4.41 -0.85 -1.26 -3.85 117.35 116.36 3iu9 s TYR 220 Ca 0.33 -0.60 -0.25 0.00 -0.52 0.00 0.00 57.07 56.03 3iu9 s TYR 220 Cb 0.21 -2.04 -0.01 0.00 0.38 0.00 0.00 41.96 40.51 3iu9 s TYR 220 CO 0.30 -0.08 0.84 0.34 -1.52 0.00 0.00 175.55 175.43 3iu9 s ASP 221 N -4.07 6.86 -0.41 -0.18 3.68 -1.22 -4.01 116.67 117.31 3iu9 s ASP 221 Ca 0.42 1.07 0.05 0.00 2.13 0.00 0.00 52.55 56.22 3iu9 s ASP 221 Cb -0.00 -2.44 0.17 0.00 -1.45 0.00 0.00 42.92 39.19 3iu9 s ASP 221 CO 0.24 -0.51 0.49 -1.58 0.13 0.00 0.00 175.17 173.95 3iu9 s GLN 222 N 2.78 0.79 0.00 4.34 2.00 -1.26 -4.97 119.66 123.33 3iu9 s GLN 222 Ca 0.36 -0.89 0.21 0.00 -2.00 0.00 0.00 55.36 53.04 3iu9 s GLN 222 Cb -0.15 -0.49 1.08 0.00 0.80 0.00 0.00 33.01 34.25 3iu9 s GLN 222 CO 0.08 -1.24 1.67 -0.35 -0.50 0.00 0.00 175.29 174.95 3iu9 n PRO 223 N 3.91 0.33 0.24 1.67 -0.04 -1.26 -2.64 135.00 137.22 3iu9 n PRO 223 Ca 0.14 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 3iu9 n PRO 223 Cb 0.50 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.95 3iu9 n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iu9 h ALA 224 N 3.02 0.99 -2.24 0.55 0.00 -2.00 -3.43 119.26 116.15 3iu9 h ALA 224 Ca 0.00 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 54.24 3iu9 h ALA 224 Cb 0.18 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 17.99 3iu9 h ALA 224 CO 0.00 0.12 1.03 0.28 0.00 0.00 0.00 179.25 180.68 3iu9 n VAL 225 N -3.20 0.37 1.06 0.00 0.31 -1.08 -4.90 118.33 110.90 3iu9 n VAL 225 Ca 0.01 -0.07 0.12 0.00 -0.01 0.00 0.00 64.34 64.39 3iu9 n VAL 225 Cb 0.41 -1.88 0.14 0.00 -0.91 0.00 0.00 33.84 31.60 3iu9 n VAL 225 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3iu9 n GLU 226 N 5.53 0.44 -1.72 5.55 0.00 -1.26 -4.66 120.64 124.52 3iu9 n GLU 226 Ca 0.20 -0.31 -0.43 0.00 0.00 0.00 0.00 57.16 56.62 3iu9 n GLU 226 Cb 0.32 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.24 3iu9 n GLU 226 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3iu9 n THR 227 N -1.01 0.31 -4.24 3.84 -1.04 -1.26 -4.89 114.28 105.98 3iu9 n THR 227 Ca 0.08 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.05 61.68 3iu9 n THR 227 Cb 0.36 -1.89 -0.08 0.00 -1.82 0.00 0.00 70.33 66.89 3iu9 n THR 227 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3iu9 s ILE 228 N 0.78 4.24 0.11 12.58 -1.09 -1.26 -0.85 121.20 135.71 3iu9 s ILE 228 Ca 0.72 -0.60 -0.30 0.00 -2.23 0.00 0.00 60.65 58.24 3iu9 s ILE 228 Cb -0.53 -2.91 -0.06 0.00 -1.58 0.00 0.00 42.46 37.37 3iu9 s ILE 228 CO 0.38 0.35 1.14 -0.04 -1.23 0.00 0.00 174.94 175.54 3iu9 s MET 229 N -1.64 4.51 0.11 2.79 -1.94 0.01 -4.84 119.30 118.29 3iu9 s MET 229 Ca 0.21 1.73 0.05 0.00 -1.71 0.00 0.00 55.69 55.97 3iu9 s MET 229 Cb -0.12 -3.32 -0.04 0.00 2.01 0.00 0.00 34.83 33.37 3iu9 s MET 229 CO 0.11 -0.10 -0.13 -0.65 -0.01 0.00 0.00 175.02 174.24 3iu9 s GLN 230 N 0.38 0.95 0.29 2.03 -0.21 -1.26 -0.44 119.66 121.39 3iu9 s GLN 230 Ca 0.54 -1.17 -0.30 0.00 0.02 0.00 0.00 55.36 54.45 3iu9 s GLN 230 Cb -0.29 -0.83 -0.12 0.00 1.00 0.00 0.00 33.01 32.77 3iu9 s GLN 230 CO 0.32 0.16 1.58 -2.30 -2.12 0.00 0.00 175.29 172.93 3iu9 n PRO 231 N 0.70 2.64 0.00 2.91 -0.02 -1.26 -1.75 135.00 138.22 3iu9 n PRO 231 Ca -0.17 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3iu9 n PRO 231 Cb 0.56 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3iu9 n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu9 n GLY 232 N 2.23 1.48 3.76 -1.23 0.00 -0.00 -4.85 105.19 106.58 3iu9 n GLY 232 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3iu9 n GLY 232 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iu9 s MET 233 N -0.80 4.37 -0.10 1.61 -1.94 -0.72 -0.75 119.30 120.97 3iu9 s MET 233 Ca 0.00 2.16 0.03 0.00 -1.71 0.00 0.00 55.69 56.17 3iu9 s MET 233 Cb 0.00 -3.11 0.01 0.00 2.01 0.00 0.00 34.83 33.73 3iu9 s MET 233 CO 0.00 -0.20 -0.20 0.95 -0.01 0.00 0.00 175.02 175.56 3iu9 s THR 234 N -0.72 1.83 0.27 2.05 -4.23 -1.21 -1.27 115.64 112.36 3iu9 s THR 234 Ca 0.52 -0.87 -0.21 0.00 -1.18 0.00 0.00 61.69 59.95 3iu9 s THR 234 Cb -0.39 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 71.87 3iu9 s THR 234 CO 0.47 0.51 0.72 0.72 -0.54 0.00 0.00 174.62 176.50 3iu9 s PHE 235 N 0.60 -0.20 0.21 3.99 -0.71 -0.71 -2.55 117.98 118.61 3iu9 s PHE 235 Ca -0.14 -0.25 0.06 0.00 -1.04 0.00 0.00 56.93 55.57 3iu9 s PHE 235 Cb -0.17 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 3iu9 s PHE 235 CO 0.04 -1.22 0.14 0.95 -1.34 0.00 0.00 175.22 173.79 3iu9 s THR 236 N -3.90 4.33 -0.09 -4.49 -4.23 -0.09 -0.79 115.64 106.38 3iu9 s THR 236 Ca 0.11 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 3iu9 s THR 236 Cb -0.06 -3.27 0.01 0.00 1.34 0.00 0.00 72.50 70.52 3iu9 s THR 236 CO 0.06 -0.24 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.10 3iu9 s ILE 237 N -1.97 1.56 -0.42 2.99 1.01 -0.95 -3.88 121.20 119.55 3iu9 s ILE 237 Ca 0.32 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 60.33 3iu9 s ILE 237 Cb -0.09 -1.38 0.37 0.00 0.01 0.00 0.00 42.46 41.37 3iu9 s ILE 237 CO 0.23 0.45 1.21 -1.84 0.00 0.00 0.00 174.94 174.99 3iu9 n GLU 238 N 3.76 1.11 -2.02 2.79 0.28 -1.26 -2.15 120.64 123.15 3iu9 n GLU 238 Ca -0.21 -2.04 -0.41 0.00 -0.16 0.00 0.00 57.16 54.34 3iu9 n GLU 238 Cb 0.52 -0.59 -0.02 0.00 1.43 0.00 0.00 31.44 32.78 3iu9 n GLU 238 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3iu9 s PRO 239 N -0.14 4.28 -0.20 3.44 0.04 -1.23 -4.76 135.00 136.43 3iu9 s PRO 239 Ca 0.23 2.32 -0.06 0.00 0.04 0.00 0.00 61.00 63.53 3iu9 s PRO 239 Cb 0.36 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 3iu9 s PRO 239 CO -0.07 -0.30 0.03 -1.64 0.04 0.00 0.00 177.00 175.07 3iu9 s MET 240 N -1.69 3.74 -0.05 4.56 -1.94 -1.26 -3.69 119.30 118.97 3iu9 s MET 240 Ca 0.51 -0.46 0.03 0.00 -1.71 0.00 0.00 55.69 54.07 3iu9 s MET 240 Cb -0.42 -3.17 0.00 0.00 2.01 0.00 0.00 34.83 33.26 3iu9 s MET 240 CO 0.54 0.06 -0.14 0.42 -0.01 0.00 0.00 175.02 175.89 3iu9 s ILE 241 N 0.92 1.24 -0.08 2.53 1.01 -0.33 -1.00 121.20 125.49 3iu9 s ILE 241 Ca 0.02 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3iu9 s ILE 241 Cb -0.14 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3iu9 s ILE 241 CO 0.02 0.37 -0.12 0.20 0.00 0.00 0.00 174.94 175.41 3iu9 s ASN 242 N 0.30 4.16 0.29 3.58 -0.87 -0.22 -1.74 114.94 120.44 3iu9 s ASN 242 Ca -0.08 -0.20 0.05 0.00 -1.57 0.00 0.00 52.86 51.07 3iu9 s ASN 242 Cb -0.13 -1.13 0.45 0.00 -0.02 0.00 0.00 41.25 40.42 3iu9 s ASN 242 CO 0.03 0.30 1.71 -0.07 -2.57 0.00 0.00 177.10 176.49 3iu9 h LEU 243 N 5.72 0.32 0.00 0.60 3.38 -1.74 -1.68 115.31 121.90 3iu9 h LEU 243 Ca -0.41 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3iu9 h LEU 243 Cb 1.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3iu9 h LEU 243 CO 0.52 0.66 0.00 0.61 0.09 0.00 0.00 178.44 180.33 3iu9 n GLY 244 N -0.25 2.87 3.83 0.83 0.00 -1.26 -4.80 105.19 106.41 3iu9 n GLY 244 Ca -0.01 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.70 3iu9 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iu9 s ALA 245 N -2.17 2.60 -0.46 4.61 0.00 -1.26 -4.48 121.76 120.60 3iu9 s ALA 245 Ca 0.00 -0.15 0.26 0.00 0.00 0.00 0.00 51.96 52.07 3iu9 s ALA 245 Cb 0.00 -3.10 0.95 0.00 0.00 0.00 0.00 23.12 20.97 3iu9 s ALA 245 CO 0.00 -1.35 1.76 -0.07 0.00 0.00 0.00 175.76 176.10 3iu9 h LEU 246 N -0.81 0.00 -9.86 0.00 3.38 -1.96 -3.45 115.31 102.60 3iu9 h LEU 246 Ca -0.45 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.98 3iu9 h LEU 246 Cb 1.24 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.09 3iu9 h LEU 246 CO 0.60 0.00 0.82 0.47 0.09 0.00 0.00 178.44 180.42 3iu9 n ASP 247 N -2.43 3.80 -4.20 -0.43 9.92 -1.26 -4.88 116.55 117.07 3iu9 n ASP 247 Ca 0.03 1.19 -0.12 0.00 -0.53 0.00 0.00 54.79 55.36 3iu9 n ASP 247 Cb 0.32 -1.60 -0.10 0.00 -0.64 0.00 0.00 41.12 39.09 3iu9 n ASP 247 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3iu9 s TYR 248 N -0.55 1.11 0.15 1.24 -0.85 -1.26 -0.77 117.35 116.42 3iu9 s TYR 248 Ca 0.59 -1.28 0.03 0.00 -0.52 0.00 0.00 57.07 55.89 3iu9 s TYR 248 Cb -0.49 -0.59 -0.04 0.00 0.38 0.00 0.00 41.96 41.22 3iu9 s TYR 248 CO 0.56 -0.53 -0.06 -1.21 -1.52 0.00 0.00 175.55 172.79 3iu9 s GLU 249 N -4.09 1.04 -0.09 -3.49 2.02 -0.12 -4.75 118.70 109.22 3iu9 s GLU 249 Ca 0.33 -1.46 0.04 0.00 0.02 0.00 0.00 54.97 53.89 3iu9 s GLU 249 Cb 0.07 -0.44 -0.01 0.00 0.10 0.00 0.00 34.13 33.85 3iu9 s GLU 249 CO 0.08 -0.01 -0.22 0.42 0.02 0.00 0.00 175.26 175.55 3iu9 s ILE 250 N -3.48 2.28 0.86 -1.63 1.01 -1.26 -0.49 121.20 118.49 3iu9 s ILE 250 Ca 0.18 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 3iu9 s ILE 250 Cb 0.04 -1.88 0.11 0.00 0.01 0.00 0.00 42.46 40.74 3iu9 s ILE 250 CO 0.01 0.56 1.12 0.26 0.00 0.00 0.00 174.94 176.88 3iu9 s TRP 251 N 0.20 2.04 0.63 3.97 0.51 -0.07 -4.88 118.94 121.34 3iu9 s TRP 251 Ca -0.13 1.66 0.29 0.00 -2.12 0.00 0.00 56.10 55.80 3iu9 s TRP 251 Cb -0.16 -3.21 1.56 0.00 -0.81 0.00 0.00 33.47 30.84 3iu9 s TRP 251 CO 0.07 -2.39 1.92 -0.44 -0.51 0.00 0.00 176.95 175.60 3iu9 h ASP 252 N -1.57 0.00 0.20 2.95 3.32 -2.00 -0.92 116.42 118.41 3iu9 h ASP 252 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3iu9 h ASP 252 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3iu9 h ASP 252 CO 0.46 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.08 3iu9 n ASP 253 N -3.32 0.25 0.00 6.45 5.68 -1.26 -4.88 116.55 119.47 3iu9 n ASP 253 Ca 0.03 0.60 0.00 0.00 -0.50 0.00 0.00 54.79 54.92 3iu9 n ASP 253 Cb 0.50 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 3iu9 n ASP 253 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iu9 n GLY 254 N -0.95 0.84 1.19 6.12 0.00 -0.35 -4.82 105.19 107.21 3iu9 n GLY 254 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3iu9 n GLY 254 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iu9 n TRP 255 N -2.25 -0.01 -1.95 1.61 7.02 -1.26 -4.97 117.44 115.62 3iu9 n TRP 255 Ca 0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.06 3iu9 n TRP 255 Cb 0.00 0.09 -0.03 0.00 -2.42 0.00 0.00 31.31 28.96 3iu9 n TRP 255 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3iu9 s THR 256 N -2.00 3.47 -0.23 -0.99 2.01 -1.24 -4.64 115.64 112.02 3iu9 s THR 256 Ca 0.00 0.54 -0.07 0.00 0.31 0.00 0.00 61.69 62.47 3iu9 s THR 256 Cb 0.00 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 3iu9 s THR 256 CO 0.00 -0.15 0.07 -0.69 -0.69 0.00 0.00 174.62 173.16 3iu9 s VAL 257 N 5.18 4.44 0.12 3.82 1.01 -0.93 -0.89 120.40 133.16 3iu9 s VAL 257 Ca 0.78 -0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.73 3iu9 s VAL 257 Cb -0.31 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3iu9 s VAL 257 CO 0.32 0.37 -0.25 -0.69 0.00 0.00 0.00 175.10 174.86 3iu9 s VAL 258 N 1.25 2.07 0.31 2.92 1.01 0.35 -0.05 120.40 128.25 3iu9 s VAL 258 Ca 0.05 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.03 3iu9 s VAL 258 Cb -0.15 -1.85 -0.11 0.00 0.00 0.00 0.00 36.38 34.28 3iu9 s VAL 258 CO 0.03 0.02 1.49 0.42 0.00 0.00 0.00 175.10 177.06 3iu9 s THR 259 N -1.15 2.28 0.28 3.92 -4.23 -0.57 -0.94 115.64 115.23 3iu9 s THR 259 Ca 0.12 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 3iu9 s THR 259 Cb -0.10 -3.16 0.11 0.00 1.34 0.00 0.00 72.50 70.69 3iu9 s THR 259 CO 0.06 0.05 1.77 0.50 -0.54 0.00 0.00 174.62 176.46 3iu9 h LYS 260 N 4.18 0.68 -0.06 3.99 3.64 -1.24 -2.52 116.57 125.24 3iu9 h LYS 260 Ca -0.48 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 3iu9 h LYS 260 Cb 1.23 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3iu9 h LYS 260 CO 0.73 0.73 0.00 -0.40 -2.27 0.00 0.00 179.45 178.24 3iu9 n ASP 261 N -4.21 1.12 -0.47 4.20 5.68 -1.26 -4.92 116.55 116.69 3iu9 n ASP 261 Ca 0.02 -1.47 -0.06 0.00 -0.50 0.00 0.00 54.79 52.78 3iu9 n ASP 261 Cb 0.31 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.24 3iu9 n ASP 261 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3iu9 n ARG 262 N -0.10 -1.51 -2.13 0.11 5.12 -0.95 -4.99 116.66 112.21 3iu9 n ARG 262 Ca 0.18 0.66 -0.33 0.00 -1.93 0.00 0.00 57.85 56.44 3iu9 n ARG 262 Cb 0.27 -4.91 0.00 0.00 -1.16 0.00 0.00 32.46 26.67 3iu9 n ARG 262 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3iu9 s LYS 263 N -2.30 3.42 0.72 5.56 1.02 -1.26 -4.62 119.74 122.27 3iu9 s LYS 263 Ca 0.00 1.22 -0.07 0.00 0.02 0.00 0.00 55.97 57.14 3iu9 s LYS 263 Cb 0.00 -2.05 0.07 0.00 -0.52 0.00 0.00 37.83 35.33 3iu9 s LYS 263 CO 0.00 -0.73 1.03 -1.58 -0.92 0.00 0.00 175.35 173.15 3iu9 s TRP 264 N -2.39 2.85 -0.01 3.18 0.52 -1.26 -4.42 118.94 117.40 3iu9 s TRP 264 Ca 0.64 0.44 -0.20 0.00 0.02 0.00 0.00 56.10 57.00 3iu9 s TRP 264 Cb -0.16 -3.23 0.04 0.00 -1.15 0.00 0.00 33.47 28.97 3iu9 s TRP 264 CO 0.34 -1.47 0.43 -0.08 0.02 0.00 0.00 176.95 176.19 3iu9 s THR 265 N -3.28 0.04 0.05 2.01 -1.32 -0.70 -2.17 115.64 110.28 3iu9 s THR 265 Ca 0.61 -0.35 -0.02 0.00 -1.21 0.00 0.00 61.69 60.72 3iu9 s THR 265 Cb -0.10 -0.79 -0.03 0.00 -1.51 0.00 0.00 72.50 70.07 3iu9 s THR 265 CO 0.45 -0.19 0.01 0.00 -2.21 0.00 0.00 174.62 172.68 3iu9 s ALA 266 N -1.54 0.35 -0.05 11.08 0.00 -0.71 -4.63 121.76 126.26 3iu9 s ALA 266 Ca -0.11 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.60 3iu9 s ALA 266 Cb -0.03 0.30 0.04 0.00 0.00 0.00 0.00 23.12 23.43 3iu9 s ALA 266 CO 0.04 -0.38 0.44 -1.14 0.00 0.00 0.00 175.76 174.72 3iu9 s GLN 267 N -3.74 0.75 0.09 0.00 0.74 -1.26 -1.19 119.66 115.05 3iu9 s GLN 267 Ca 0.05 0.08 0.02 0.00 0.05 0.00 0.00 55.36 55.57 3iu9 s GLN 267 Cb 0.06 0.34 -0.04 0.00 1.10 0.00 0.00 33.01 34.48 3iu9 s GLN 267 CO -0.10 -0.20 -0.08 -0.06 -0.55 0.00 0.00 175.29 174.31 3iu9 s PHE 268 N -1.00 0.89 -0.18 1.67 0.40 -1.24 -2.94 117.98 115.58 3iu9 s PHE 268 Ca -0.10 -0.77 -0.11 0.00 -0.60 0.00 0.00 56.93 55.35 3iu9 s PHE 268 Cb -0.03 -0.51 0.06 0.00 0.51 0.00 0.00 43.02 43.05 3iu9 s PHE 268 CO 0.05 -0.10 0.44 -2.00 0.70 0.00 0.00 175.22 174.32 3iu9 s GLU 269 N -3.13 0.44 0.09 0.44 2.12 -0.58 -3.57 118.70 114.52 3iu9 s GLU 269 Ca 0.06 0.80 0.03 0.00 0.36 0.00 0.00 54.97 56.23 3iu9 s GLU 269 Cb 0.00 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 3iu9 s GLU 269 CO -0.02 -0.14 -0.09 -1.01 -0.54 0.00 0.00 175.26 173.45 3iu9 s HIS 270 N 1.25 1.00 -0.06 5.30 3.76 -0.91 -1.72 115.29 123.90 3iu9 s HIS 270 Ca -0.08 -0.68 -0.15 0.00 -0.15 0.00 0.00 55.06 54.00 3iu9 s HIS 270 Cb -0.07 -0.55 -0.05 0.00 1.11 0.00 0.00 32.58 33.01 3iu9 s HIS 270 CO -0.11 -0.03 0.40 0.99 -0.85 0.00 0.00 174.74 175.13 3iu9 s THR 271 N -2.51 5.13 0.10 1.30 2.01 -1.14 -2.24 115.64 118.30 3iu9 s THR 271 Ca 0.05 0.80 0.08 0.00 0.31 0.00 0.00 61.69 62.93 3iu9 s THR 271 Cb -0.02 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3iu9 s THR 271 CO -0.01 0.48 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.44 3iu9 s LEU 272 N -0.35 2.30 -0.05 4.42 1.43 0.03 -0.19 118.68 126.28 3iu9 s LEU 272 Ca 0.23 -0.68 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 3iu9 s LEU 272 Cb -0.15 -0.83 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 3iu9 s LEU 272 CO 0.11 0.04 -0.24 -0.22 0.23 0.00 0.00 176.35 176.26 3iu9 s LEU 273 N -1.91 2.11 -0.06 1.79 2.96 0.32 -1.74 118.68 122.15 3iu9 s LEU 273 Ca 0.05 -0.49 -0.25 0.00 -0.22 0.00 0.00 54.13 53.23 3iu9 s LEU 273 Cb -0.10 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 3iu9 s LEU 273 CO 0.04 0.26 0.75 -0.69 -1.32 0.00 0.00 176.35 175.39 3iu9 s VAL 274 N -0.24 5.01 0.29 1.68 1.01 -0.40 -0.87 120.40 126.87 3iu9 s VAL 274 Ca -0.01 1.55 0.03 0.00 0.00 0.00 0.00 61.98 63.55 3iu9 s VAL 274 Cb -0.13 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.19 3iu9 s VAL 274 CO 0.03 0.22 0.28 0.35 0.00 0.00 0.00 175.10 175.98 3iu9 n THR 275 N 3.87 0.00 0.30 3.92 -2.24 -0.07 -0.82 114.28 119.24 3iu9 n THR 275 Ca 0.00 -1.09 0.18 0.00 -2.27 0.00 0.00 64.05 60.87 3iu9 n THR 275 Cb 0.51 -0.41 0.80 0.00 -2.10 0.00 0.00 70.33 69.12 3iu9 n THR 275 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3iu9 h ASP 276 N 0.25 0.00 0.00 3.42 3.45 -1.97 -3.31 116.42 118.26 3iu9 h ASP 276 Ca -0.17 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.29 3iu9 h ASP 276 Cb 0.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3iu9 h ASP 276 CO 0.26 0.00 -0.27 0.35 -1.57 0.00 0.00 179.24 178.00 3iu9 n THR 277 N -2.90 0.00 0.00 0.35 -2.24 -1.26 -4.78 114.28 103.45 3iu9 n THR 277 Ca -0.00 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3iu9 n THR 277 Cb 0.21 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 3iu9 n THR 277 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iu9 n GLY 278 N 1.36 -0.80 3.01 3.38 0.00 -1.25 -4.73 105.19 106.17 3iu9 n GLY 278 Ca 0.00 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 3iu9 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iu9 s VAL 279 N -1.85 0.26 -0.09 1.61 0.11 -1.22 -0.89 120.40 118.33 3iu9 s VAL 279 Ca 0.00 -0.97 0.02 0.00 -2.93 0.00 0.00 61.98 58.11 3iu9 s VAL 279 Cb 0.00 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 3iu9 s VAL 279 CO 0.00 -0.45 -0.16 -0.70 -3.33 0.00 0.00 175.10 170.46 3iu9 s GLU 280 N -1.49 2.17 -0.16 1.54 2.12 -0.05 -4.86 118.70 117.96 3iu9 s GLU 280 Ca -0.14 -0.56 -0.28 0.00 0.36 0.00 0.00 54.97 54.35 3iu9 s GLU 280 Cb -0.10 -1.78 -0.01 0.00 0.26 0.00 0.00 34.13 32.50 3iu9 s GLU 280 CO -0.00 0.01 0.95 0.42 -0.54 0.00 0.00 175.26 176.10 3iu9 s ILE 281 N 0.77 4.79 -0.36 -3.70 1.01 -1.26 -0.52 121.20 121.92 3iu9 s ILE 281 Ca -0.11 1.89 0.23 0.00 0.00 0.00 0.00 60.65 62.66 3iu9 s ILE 281 Cb -0.16 -4.25 0.22 0.00 0.01 0.00 0.00 42.46 38.28 3iu9 s ILE 281 CO 0.02 -0.03 1.41 -0.07 0.00 0.00 0.00 174.94 176.27 3iu9 h LEU 282 N 8.47 0.00 -5.44 2.97 3.38 -0.92 -3.36 115.31 120.42 3iu9 h LEU 282 Ca -0.27 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 56.93 3iu9 h LEU 282 Cb 1.12 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.58 3iu9 h LEU 282 CO 0.88 0.01 0.86 0.35 0.09 0.00 0.00 178.44 180.63 3iu9 n THR 283 N -2.95 4.42 -4.30 0.22 -2.24 -1.23 -3.20 114.28 105.00 3iu9 n THR 283 Ca 0.03 -5.02 -0.27 0.00 -2.27 0.00 0.00 64.05 56.52 3iu9 n THR 283 Cb 0.54 -1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 67.31 3iu9 n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50