#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixt s VAL 2 N 0.00 2.89 0.20 -0.39 1.01 -1.26 -4.52 120.40 118.33 3ixt s VAL 2 Ca 0.00 0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.64 3ixt s VAL 2 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3ixt s VAL 2 CO 0.00 0.03 -0.14 0.42 0.00 0.00 0.00 175.10 175.41 3ixt s THR 3 N 1.48 1.72 -0.10 3.92 -4.23 -0.76 -4.95 115.64 112.72 3ixt s THR 3 Ca 0.69 -2.21 -0.07 0.00 -1.18 0.00 0.00 61.69 58.93 3ixt s THR 3 Cb -0.41 -2.04 0.04 0.00 1.34 0.00 0.00 72.50 71.43 3ixt s THR 3 CO 0.31 -0.60 0.25 -0.76 -0.54 0.00 0.00 174.62 173.28 3ixt s LEU 4 N -3.31 0.69 -0.16 4.79 1.43 -1.26 -2.16 118.68 118.70 3ixt s LEU 4 Ca 0.22 0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.83 3ixt s LEU 4 Cb -0.01 0.78 0.04 0.00 0.03 0.00 0.00 46.19 47.04 3ixt s LEU 4 CO 0.07 -0.13 -0.03 -0.60 0.23 0.00 0.00 176.35 175.88 3ixt s ARG 5 N 0.78 1.23 0.51 1.70 3.52 -0.12 -3.82 118.95 122.75 3ixt s ARG 5 Ca -0.05 -0.42 -0.17 0.00 -0.13 0.00 0.00 55.73 54.96 3ixt s ARG 5 Cb -0.07 -1.88 -0.08 0.00 -1.56 0.00 0.00 34.95 31.37 3ixt s ARG 5 CO -0.05 -0.44 0.99 -1.21 -0.81 0.00 0.00 175.30 173.78 3ixt s GLU 6 N 1.71 3.90 -0.06 5.12 8.01 -1.26 -1.44 118.70 134.69 3ixt s GLU 6 Ca 0.01 1.01 -0.22 0.00 0.01 0.00 0.00 54.97 55.78 3ixt s GLU 6 Cb -0.15 -2.13 0.05 0.00 -4.31 0.00 0.00 34.13 27.59 3ixt s GLU 6 CO -0.07 -0.31 0.50 -1.54 0.01 0.00 0.00 175.26 173.85 3ixt s SER 7 N -2.91 -0.45 0.00 -0.19 1.04 0.23 -4.78 113.70 106.64 3ixt s SER 7 Ca 0.60 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.54 3ixt s SER 7 Cb -0.11 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3ixt s SER 7 CO 0.30 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3ixt n GLY 8 N 1.37 -2.16 3.76 7.32 0.00 -1.26 -1.00 105.19 113.22 3ixt n GLY 8 Ca -0.19 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 3ixt n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ixt s PRO 9 N -1.90 3.54 0.04 1.61 0.04 -1.26 -4.93 135.00 132.13 3ixt s PRO 9 Ca 0.00 2.14 0.13 0.00 0.04 0.00 0.00 61.00 63.31 3ixt s PRO 9 Cb 0.00 -2.46 -0.17 0.00 0.04 0.00 0.00 34.50 31.91 3ixt s PRO 9 CO 0.00 -0.84 0.87 0.00 0.04 0.00 0.00 177.00 177.07 3ixt h ALA 10 N 1.98 0.67 -4.40 8.56 0.00 -1.94 -3.42 119.26 120.71 3ixt h ALA 10 Ca -0.50 -1.10 -0.59 0.00 0.00 0.00 0.00 54.91 52.72 3ixt h ALA 10 Cb 1.27 0.28 -0.30 0.00 0.00 0.00 0.00 17.79 19.05 3ixt h ALA 10 CO 0.60 1.24 -0.85 -1.17 0.00 0.00 0.00 179.25 179.07 3ixt s LEU 11 N -6.11 2.04 -0.21 0.00 2.96 -1.26 -0.66 118.68 115.44 3ixt s LEU 11 Ca -0.03 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.40 3ixt s LEU 11 Cb 0.08 -1.02 0.06 0.00 0.50 0.00 0.00 46.19 45.82 3ixt s LEU 11 CO 0.81 0.24 0.51 0.54 -1.32 0.00 0.00 176.35 177.13 3ixt s VAL 12 N -0.46 -0.01 0.71 1.68 0.11 -0.77 -4.95 120.40 116.71 3ixt s VAL 12 Ca 0.08 0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 59.04 3ixt s VAL 12 Cb -0.08 -0.74 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3ixt s VAL 12 CO -0.01 0.02 1.13 -0.54 -3.33 0.00 0.00 175.10 172.37 3ixt s LYS 13 N 1.34 2.44 0.77 1.54 1.02 -1.26 -2.42 119.74 123.18 3ixt s LYS 13 Ca -0.09 1.43 -0.15 0.00 0.02 0.00 0.00 55.97 57.19 3ixt s LYS 13 Cb -0.07 -1.90 0.04 0.00 -0.52 0.00 0.00 37.83 35.38 3ixt s LYS 13 CO -0.13 -1.54 1.00 -2.30 -0.92 0.00 0.00 175.35 171.46 3ixt n PRO 14 N -2.82 0.33 0.00 -1.68 -0.02 -1.26 -2.33 135.00 127.22 3ixt n PRO 14 Ca 0.11 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3ixt n PRO 14 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3ixt n PRO 14 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ixt n THR 15 N -2.87 0.00 -1.39 3.45 -2.24 0.71 -4.83 114.28 107.10 3ixt n THR 15 Ca 0.13 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.60 3ixt n THR 15 Cb 0.50 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.83 3ixt n THR 15 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ixt s GLN 16 N 0.00 1.99 -0.09 -0.78 -0.21 -0.98 -3.27 119.66 116.32 3ixt s GLN 16 Ca 0.00 0.85 -0.12 0.00 0.02 0.00 0.00 55.36 56.11 3ixt s GLN 16 Cb 0.00 -1.89 -0.05 0.00 1.00 0.00 0.00 33.01 32.07 3ixt s GLN 16 CO 0.00 -1.74 0.30 0.99 -2.12 0.00 0.00 175.29 172.71 3ixt s THR 17 N -3.02 5.25 -0.12 -0.19 2.01 -1.26 -1.48 115.64 116.84 3ixt s THR 17 Ca 0.61 0.57 -0.14 0.00 0.31 0.00 0.00 61.69 63.04 3ixt s THR 17 Cb -0.16 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 3ixt s THR 17 CO 0.56 0.53 0.32 -0.22 -0.69 0.00 0.00 174.62 175.11 3ixt s LEU 18 N -0.57 4.31 -0.28 4.42 2.96 0.68 -4.93 118.68 125.28 3ixt s LEU 18 Ca 0.19 0.62 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 3ixt s LEU 18 Cb -0.14 -2.41 0.08 0.00 0.50 0.00 0.00 46.19 44.21 3ixt s LEU 18 CO 0.08 0.17 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.38 3ixt s THR 19 N 0.02 1.66 0.02 3.68 2.01 -1.26 -0.77 115.64 120.99 3ixt s THR 19 Ca 0.19 -1.57 -0.01 0.00 0.31 0.00 0.00 61.69 60.61 3ixt s THR 19 Cb -0.14 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3ixt s THR 19 CO 0.06 -0.32 0.14 -0.76 -0.69 0.00 0.00 174.62 173.06 3ixt s LEU 20 N 1.28 4.16 -0.05 4.42 1.43 0.27 -4.53 118.68 125.65 3ixt s LEU 20 Ca 0.01 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 3ixt s LEU 20 Cb -0.19 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.48 3ixt s LEU 20 CO -0.10 0.24 -0.11 -0.89 0.23 0.00 0.00 176.35 175.72 3ixt s THR 21 N -1.33 1.02 -0.33 5.49 2.01 -0.17 -1.19 115.64 121.13 3ixt s THR 21 Ca 0.28 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.81 3ixt s THR 21 Cb -0.12 -0.93 0.05 0.00 0.01 0.00 0.00 72.50 71.50 3ixt s THR 21 CO 0.20 0.32 0.08 0.00 -0.69 0.00 0.00 174.62 174.53 3ixt s THR 23 N 1.31 4.92 0.35 0.00 2.01 -0.52 -1.82 115.64 121.90 3ixt s THR 23 Ca -0.02 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.04 3ixt s THR 23 Cb -0.20 -3.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 3ixt s THR 23 CO 0.00 0.38 0.06 0.72 -0.69 0.00 0.00 174.62 175.10 3ixt s PHE 24 N 0.94 1.98 0.24 4.92 -0.12 -0.94 -0.94 117.98 124.05 3ixt s PHE 24 Ca 0.05 -0.98 -0.16 0.00 -0.05 0.00 0.00 56.93 55.79 3ixt s PHE 24 Cb -0.14 -1.32 0.01 0.00 -0.63 0.00 0.00 43.02 40.95 3ixt s PHE 24 CO 0.03 0.01 0.55 -1.54 -0.05 0.00 0.00 175.22 174.22 3ixt s SER 25 N -3.54 -0.18 0.00 1.98 1.04 -0.92 -4.88 113.70 107.20 3ixt s SER 25 Ca 0.33 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3ixt s SER 25 Cb 0.08 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3ixt s SER 25 CO 0.15 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3ixt n GLY 26 N -0.39 3.27 3.34 7.32 0.00 -1.26 -1.82 105.19 115.65 3ixt n GLY 26 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3ixt n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ixt s PHE 27 N -2.56 0.12 -0.03 1.61 -0.12 -1.26 -4.78 117.98 110.96 3ixt s PHE 27 Ca 0.00 -0.49 0.03 0.00 -0.05 0.00 0.00 56.93 56.42 3ixt s PHE 27 Cb 0.00 0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.45 3ixt s PHE 27 CO 0.00 -0.71 -0.09 0.45 -0.05 0.00 0.00 175.22 174.81 3ixt s SER 28 N -2.89 4.43 0.42 1.98 0.15 -1.26 -5.01 113.70 111.52 3ixt s SER 28 Ca 0.10 -0.13 0.26 0.00 0.70 0.00 0.00 55.95 56.87 3ixt s SER 28 Cb 0.03 -1.02 0.70 0.00 -1.71 0.00 0.00 66.02 64.01 3ixt s SER 28 CO -0.06 0.32 1.73 0.25 1.20 0.00 0.00 173.24 176.69 3ixt h LEU 29 N 4.97 0.00 -0.03 3.45 6.46 -1.94 -2.92 115.31 125.30 3ixt h LEU 29 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 3ixt h LEU 29 Cb 1.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 3ixt h LEU 29 CO 0.52 0.00 0.00 -1.54 -0.62 0.00 0.00 178.44 176.80 3ixt n SER 30 N -2.91 0.12 -4.74 1.25 3.41 -1.26 -4.06 113.62 105.44 3ixt n SER 30 Ca 0.03 0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 58.75 3ixt n SER 30 Cb 0.44 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 3ixt n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ixt s THR 31 N -3.02 3.53 0.29 6.66 2.01 -1.11 -4.96 115.64 119.04 3ixt s THR 31 Ca 0.12 1.30 -0.30 0.00 0.31 0.00 0.00 61.69 63.12 3ixt s THR 31 Cb 0.16 -3.83 -0.12 0.00 0.01 0.00 0.00 72.50 68.72 3ixt s THR 31 CO 0.48 0.21 1.58 0.00 -0.69 0.00 0.00 174.62 176.21 3ixt n ALA 32 N 2.42 2.44 0.00 7.40 0.00 -1.26 -2.32 120.51 129.19 3ixt n ALA 32 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3ixt n ALA 32 Cb 0.44 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.44 3ixt n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ixt n GLY 33 N 2.17 1.43 3.82 0.00 0.00 -1.26 -5.02 105.19 106.34 3ixt n GLY 33 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3ixt n GLY 33 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ixt s MET 34 N -0.79 4.15 0.05 1.61 -2.45 -0.98 -1.86 119.30 119.04 3ixt s MET 34 Ca 0.00 0.71 -0.11 0.00 -1.25 0.00 0.00 55.69 55.04 3ixt s MET 34 Cb 0.00 -3.01 0.01 0.00 1.25 0.00 0.00 34.83 33.07 3ixt s MET 34 CO 0.00 0.50 0.23 0.45 1.05 0.00 0.00 175.02 177.25 3ixt s SER 35 N -1.51 0.00 -0.04 1.11 0.15 0.34 -2.55 113.70 111.21 3ixt s SER 35 Ca 0.37 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.67 3ixt s SER 35 Cb -0.17 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.47 3ixt s SER 35 CO 0.20 -0.62 -0.12 -0.69 1.20 0.00 0.00 173.24 173.22 3ixt s VAL 35 N -2.86 1.04 0.16 4.45 1.01 -0.80 -0.50 120.40 122.90 3ixt s VAL 35 Ca -0.03 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.56 3ixt s VAL 35 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3ixt s VAL 35 CO -0.05 0.32 -0.19 -0.83 0.00 0.00 0.00 175.10 174.35 3ixt s GLY 35 N 0.32 1.40 -0.04 4.51 0.00 -0.13 -1.50 107.32 111.88 3ixt s GLY 35 Ca -0.07 -1.47 0.03 0.00 0.00 0.00 0.00 44.72 43.21 3ixt s GLY 35 CO 0.02 -1.51 -0.10 -0.98 0.00 0.00 0.00 173.10 170.53 3ixt s TRP 36 N -1.91 2.84 -0.06 1.90 0.52 0.30 -1.25 118.94 121.27 3ixt s TRP 36 Ca 0.15 -0.06 -0.06 0.00 0.02 0.00 0.00 56.10 56.15 3ixt s TRP 36 Cb -0.06 -1.65 0.02 0.00 -1.15 0.00 0.00 33.47 30.63 3ixt s TRP 36 CO 0.07 0.30 0.17 0.42 0.02 0.00 0.00 176.95 177.92 3ixt s ILE 37 N -0.84 -0.00 0.17 2.03 1.01 0.17 -1.48 121.20 122.25 3ixt s ILE 37 Ca 0.13 0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.86 3ixt s ILE 37 Cb -0.11 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 3ixt s ILE 37 CO 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 174.94 174.84 3ixt s ARG 38 N 0.17 1.19 -0.23 2.79 1.70 -0.65 0.15 118.95 124.06 3ixt s ARG 38 Ca -0.01 -1.47 -0.03 0.00 -0.47 0.00 0.00 55.73 53.76 3ixt s ARG 38 Cb -0.02 -0.94 0.07 0.00 -0.57 0.00 0.00 34.95 33.50 3ixt s ARG 38 CO -0.00 0.15 0.06 -1.14 -1.08 0.00 0.00 175.30 173.30 3ixt s GLN 39 N -3.45 0.57 0.73 3.89 0.74 0.32 -1.54 119.66 120.93 3ixt s GLN 39 Ca 0.18 -0.56 -0.13 0.00 0.05 0.00 0.00 55.36 54.89 3ixt s GLN 39 Cb -0.01 -1.95 0.04 0.00 1.10 0.00 0.00 33.01 32.20 3ixt s GLN 39 CO 0.04 -0.77 1.14 -2.14 -0.55 0.00 0.00 175.29 173.01 3ixt s PRO 40 N 1.85 2.29 0.14 1.67 0.02 -1.26 -1.80 135.00 137.90 3ixt s PRO 40 Ca 0.03 1.47 -0.35 0.00 0.02 0.00 0.00 61.00 62.17 3ixt s PRO 40 Cb -0.17 -1.88 -0.15 0.00 0.02 0.00 0.00 34.50 32.32 3ixt s PRO 40 CO -0.16 -1.66 1.48 -2.30 -0.33 0.00 0.00 177.00 174.03 3ixt n PRO 41 N -2.94 1.80 -3.40 5.54 -0.02 -1.26 -1.89 135.00 132.82 3ixt n PRO 41 Ca 0.11 0.65 -0.25 0.00 -2.02 0.00 0.00 63.50 61.99 3ixt n PRO 41 Cb 0.52 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3ixt n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ixt n GLY 42 N 3.04 -0.50 3.23 -1.23 0.00 -1.26 -4.97 105.19 103.51 3ixt n GLY 42 Ca 0.17 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 3ixt n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixt s LYS 43 N -6.07 1.10 1.13 1.61 1.02 -0.79 -5.16 119.74 112.57 3ixt s LYS 43 Ca 0.44 -1.53 -0.18 0.00 0.02 0.00 0.00 55.97 54.72 3ixt s LYS 43 Cb -0.22 -0.21 0.26 0.00 -0.52 0.00 0.00 37.83 37.13 3ixt s LYS 43 CO 0.54 -0.15 1.15 0.00 -0.92 0.00 0.00 175.35 175.96 3ixt s ALA 44 N -3.70 0.99 0.23 5.17 0.00 -1.26 -4.58 121.76 118.61 3ixt s ALA 44 Ca 0.24 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 3ixt s ALA 44 Cb 0.06 -2.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 3ixt s ALA 44 CO 0.04 -3.25 0.93 -0.51 0.00 0.00 0.00 175.76 172.97 3ixt s LEU 45 N -6.67 4.64 -0.12 0.00 1.43 -1.26 -4.41 118.68 112.29 3ixt s LEU 45 Ca 0.71 1.93 0.01 0.00 -1.03 0.00 0.00 54.13 55.75 3ixt s LEU 45 Cb -0.10 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.54 3ixt s LEU 45 CO 0.55 0.15 -0.14 -0.70 0.23 0.00 0.00 176.35 176.45 3ixt s GLU 46 N -1.12 2.11 0.38 1.70 2.12 -0.59 -5.01 118.70 118.29 3ixt s GLU 46 Ca 0.41 -0.51 -0.25 0.00 0.36 0.00 0.00 54.97 54.98 3ixt s GLU 46 Cb -0.26 -1.86 -0.09 0.00 0.26 0.00 0.00 34.13 32.18 3ixt s GLU 46 CO 0.32 -0.12 1.07 -0.46 -0.54 0.00 0.00 175.26 175.52 3ixt s TRP 47 N 1.17 3.29 -0.02 5.30 -0.00 -1.26 -1.64 118.94 125.79 3ixt s TRP 47 Ca -0.03 1.65 -0.01 0.00 -0.00 0.00 0.00 56.10 57.71 3ixt s TRP 47 Cb -0.14 -3.18 -0.01 0.00 -0.00 0.00 0.00 33.47 30.14 3ixt s TRP 47 CO -0.04 -0.68 -0.02 1.28 -0.00 0.00 0.00 176.95 177.49 3ixt n LEU 48 N 0.13 0.90 -3.60 5.86 4.32 -0.55 -4.68 117.00 119.38 3ixt n LEU 48 Ca 0.04 0.01 -0.04 0.00 -0.02 0.00 0.00 56.01 56.00 3ixt n LEU 48 Cb 0.49 -0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 42.22 3ixt n LEU 48 CO 0.47 0.17 0.88 0.00 -1.22 0.00 0.00 177.39 177.69 3ixt s ALA 49 N -2.03 -1.97 0.35 -1.18 0.00 -1.21 -0.88 121.76 114.84 3ixt s ALA 49 Ca -0.02 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 3ixt s ALA 49 Cb 0.01 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.41 3ixt s ALA 49 CO 0.03 -0.79 0.65 0.16 0.00 0.00 0.00 175.76 175.82 3ixt s ASP 50 N -2.55 0.27 -0.02 0.00 -4.77 -0.66 -0.54 116.67 108.41 3ixt s ASP 50 Ca 0.10 -1.19 -0.25 0.00 -3.30 0.00 0.00 52.55 47.91 3ixt s ASP 50 Cb 0.00 0.76 0.05 0.00 -1.09 0.00 0.00 42.92 42.64 3ixt s ASP 50 CO -0.05 -1.48 0.54 -0.51 0.70 0.00 0.00 175.17 174.37 3ixt s ILE 51 N -2.86 0.02 0.44 2.11 2.07 -0.56 -2.08 121.20 120.35 3ixt s ILE 51 Ca 0.21 -0.19 0.03 0.00 -1.41 0.00 0.00 60.65 59.29 3ixt s ILE 51 Cb -0.03 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 3ixt s ILE 51 CO 0.14 -0.10 0.04 0.26 -1.91 0.00 0.00 174.94 173.36 3ixt s TRP 52 N -1.50 2.02 0.36 3.50 0.52 -0.32 -1.90 118.94 121.62 3ixt s TRP 52 Ca -0.11 -0.95 0.28 0.00 0.02 0.00 0.00 56.10 55.34 3ixt s TRP 52 Cb -0.02 -1.52 1.40 0.00 -1.15 0.00 0.00 33.47 32.19 3ixt s TRP 52 CO 0.06 0.15 2.04 0.11 0.02 0.00 0.00 176.95 179.33 3ixt h TRP 53 N 1.63 0.00 -0.49 -1.98 0.09 -1.64 -0.86 115.95 112.70 3ixt h TRP 53 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.56 3ixt h TRP 53 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.52 3ixt h TRP 53 CO 1.21 0.12 0.00 -0.40 0.09 0.00 0.00 178.44 179.47 3ixt n ASP 54 N -3.54 3.47 -0.06 0.11 5.68 -1.26 -4.89 116.55 116.06 3ixt n ASP 54 Ca -0.01 -2.25 -0.01 0.00 -0.50 0.00 0.00 54.79 52.01 3ixt n ASP 54 Cb 0.27 -0.46 -0.00 0.00 -1.14 0.00 0.00 41.12 39.78 3ixt n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3ixt n ASP 55 N 0.84 -3.91 -4.75 -1.12 2.03 -0.33 -5.00 116.55 104.32 3ixt n ASP 55 Ca 0.19 0.02 -0.41 0.00 0.52 0.00 0.00 54.79 55.11 3ixt n ASP 55 Cb 0.64 -1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.53 3ixt n ASP 55 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ixt s LYS 56 N -0.86 4.33 0.06 -0.67 1.02 -1.26 -4.76 119.74 117.59 3ixt s LYS 56 Ca 0.00 2.19 0.07 0.00 0.02 0.00 0.00 55.97 58.25 3ixt s LYS 56 Cb 0.00 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3ixt s LYS 56 CO 0.00 -0.32 -0.19 0.15 -0.92 0.00 0.00 175.35 174.07 3ixt s LYS 57 N -0.46 1.19 0.04 1.68 1.02 -1.26 -1.17 119.74 120.78 3ixt s LYS 57 Ca 0.57 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.62 3ixt s LYS 57 Cb -0.39 -1.32 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 3ixt s LYS 57 CO 0.42 0.32 -0.09 -1.01 -0.92 0.00 0.00 175.35 174.07 3ixt s HIS 58 N -0.94 0.82 0.03 3.18 3.76 -0.88 -4.99 115.29 116.27 3ixt s HIS 58 Ca 0.05 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 3ixt s HIS 58 Cb -0.09 -0.48 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 3ixt s HIS 58 CO 0.02 -0.04 -0.06 0.71 -0.85 0.00 0.00 174.74 174.53 3ixt s TYR 59 N -1.22 0.51 -0.35 1.40 2.02 -1.26 -1.65 117.35 116.80 3ixt s TYR 59 Ca -0.06 -0.49 -0.29 0.00 -0.37 0.00 0.00 57.07 55.85 3ixt s TYR 59 Cb -0.09 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.17 3ixt s TYR 59 CO 0.01 -0.12 1.08 1.21 -1.57 0.00 0.00 175.55 176.16 3ixt s ASN 60 N -1.48 6.87 0.52 2.29 3.84 -0.06 -4.92 114.94 122.00 3ixt s ASN 60 Ca -0.12 0.94 0.33 0.00 0.21 0.00 0.00 52.86 54.22 3ixt s ASN 60 Cb -0.10 -2.54 1.47 0.00 -0.55 0.00 0.00 41.25 39.53 3ixt s ASN 60 CO -0.00 -0.94 1.83 -0.65 -2.79 0.00 0.00 177.10 174.55 3ixt h PRO 61 N 8.29 0.05 -0.65 0.43 0.11 -1.95 0.16 132.00 138.45 3ixt h PRO 61 Ca -0.21 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.94 3ixt h PRO 61 Cb 1.06 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 3ixt h PRO 61 CO 1.05 0.03 0.38 0.77 -0.21 0.00 0.00 178.00 180.02 3ixt h SER 62 N 0.05 0.59 -1.12 -2.05 0.02 -1.97 -2.69 113.55 106.38 3ixt h SER 62 Ca 0.52 0.01 -0.69 0.00 -0.84 0.00 0.00 61.79 60.79 3ixt h SER 62 Cb 1.97 -0.11 -0.29 0.00 0.14 0.00 0.00 62.40 64.11 3ixt h SER 62 CO -0.04 0.40 0.87 0.18 -1.14 0.00 0.00 176.83 177.10 3ixt n LEU 63 N -4.75 7.64 -4.43 5.07 4.77 0.04 -4.94 117.00 120.40 3ixt n LEU 63 Ca 0.07 -4.37 -0.30 0.00 -0.03 0.00 0.00 56.01 51.38 3ixt n LEU 63 Cb 0.12 -0.98 -0.13 0.00 -2.33 0.00 0.00 43.42 40.11 3ixt n LEU 63 CO 0.31 1.52 -0.52 -0.75 -1.33 0.00 0.00 177.39 176.62 3ixt s LYS 64 N -3.86 1.86 -1.00 3.23 2.47 -1.02 -2.42 119.74 119.01 3ixt s LYS 64 Ca 0.63 -1.10 -0.02 0.00 -1.56 0.00 0.00 55.97 53.92 3ixt s LYS 64 Cb 0.50 -2.09 0.30 0.00 -1.46 0.00 0.00 37.83 35.08 3ixt s LYS 64 CO -0.06 0.51 1.42 -0.40 0.16 0.00 0.00 175.35 176.97 3ixt n ASP 65 N 1.34 6.14 -0.66 1.43 5.68 -1.26 -5.01 116.55 124.21 3ixt n ASP 65 Ca -0.16 -3.47 0.08 0.00 -0.50 0.00 0.00 54.79 50.74 3ixt n ASP 65 Cb 0.52 -1.15 0.08 0.00 -1.14 0.00 0.00 41.12 39.43 3ixt n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ixt n ARG 66 N 1.01 1.32 -4.42 0.11 1.74 -1.02 -4.98 116.66 110.43 3ixt n ARG 66 Ca 0.30 -1.50 -0.35 0.00 -0.77 0.00 0.00 57.85 55.53 3ixt n ARG 66 Cb 0.33 -1.31 -0.10 0.00 -1.02 0.00 0.00 32.46 30.36 3ixt n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ixt s LEU 67 N -1.31 3.48 -0.08 0.55 1.02 -1.23 -1.41 118.68 119.70 3ixt s LEU 67 Ca 0.20 0.09 -0.03 0.00 0.02 0.00 0.00 54.13 54.40 3ixt s LEU 67 Cb 0.14 -1.79 0.04 0.00 0.02 0.00 0.00 46.19 44.59 3ixt s LEU 67 CO 0.20 0.35 0.08 -0.89 0.02 0.00 0.00 176.35 176.11 3ixt s THR 68 N -0.74 -0.12 -0.07 5.49 2.01 -0.70 -4.98 115.64 116.55 3ixt s THR 68 Ca 0.11 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.42 3ixt s THR 68 Cb -0.11 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 3ixt s THR 68 CO 0.02 0.05 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.30 3ixt s ILE 69 N 2.17 2.55 0.17 1.82 2.07 -1.26 -0.67 121.20 128.04 3ixt s ILE 69 Ca 0.04 -0.89 -0.08 0.00 -1.41 0.00 0.00 60.65 58.31 3ixt s ILE 69 Cb -0.13 -1.98 -0.01 0.00 0.13 0.00 0.00 42.46 40.47 3ixt s ILE 69 CO -0.05 0.57 0.26 -0.94 -1.91 0.00 0.00 174.94 172.87 3ixt s SER 70 N -0.27 0.07 0.17 4.50 1.04 -0.75 -5.01 113.70 113.45 3ixt s SER 70 Ca 0.01 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 55.54 3ixt s SER 70 Cb -0.13 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 3ixt s SER 70 CO 0.03 -0.89 -0.04 -1.59 0.98 0.00 0.00 173.24 171.73 3ixt s LYS 71 N -3.99 1.11 -0.37 4.02 -2.85 -1.26 -1.10 119.74 115.30 3ixt s LYS 71 Ca 0.19 -1.52 0.03 0.00 -1.00 0.00 0.00 55.97 53.67 3ixt s LYS 71 Cb 0.04 -0.44 0.15 0.00 -2.06 0.00 0.00 37.83 35.52 3ixt s LYS 71 CO 0.01 -0.05 0.35 0.34 0.10 0.00 0.00 175.35 176.10 3ixt s ASP 72 N -3.19 1.49 0.60 0.03 -1.08 -0.16 -5.00 116.67 109.37 3ixt s ASP 72 Ca 0.21 -1.79 0.30 0.00 -0.52 0.00 0.00 52.55 50.75 3ixt s ASP 72 Cb 0.05 0.35 1.75 0.00 -1.46 0.00 0.00 42.92 43.61 3ixt s ASP 72 CO 0.03 -0.26 2.16 0.74 0.52 0.00 0.00 175.17 178.36 3ixt h THR 73 N 5.00 0.45 -0.48 1.71 2.02 -1.96 -1.55 112.91 118.09 3ixt h THR 73 Ca 0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.27 3ixt h THR 73 Cb 1.03 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 3ixt h THR 73 CO 0.21 0.00 0.27 0.28 0.37 0.00 0.00 175.52 176.66 3ixt h SER 74 N 0.00 0.43 -0.56 4.18 0.02 -1.95 -2.83 113.55 112.85 3ixt h SER 74 Ca 0.05 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3ixt h SER 74 Cb 0.32 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3ixt h SER 74 CO -0.00 0.31 0.00 0.29 -1.14 0.00 0.00 176.83 176.28 3ixt n LYS 75 N -4.84 2.62 -3.79 3.45 5.02 -0.64 -4.97 118.16 115.01 3ixt n LYS 75 Ca 0.03 -2.47 -0.25 0.00 -2.02 0.00 0.00 58.31 53.60 3ixt n LYS 75 Cb 0.09 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 33.58 3ixt n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ixt n ASN 76 N 1.57 -2.24 -3.96 4.39 3.02 -0.85 -4.83 115.26 112.35 3ixt n ASN 76 Ca 0.22 -0.82 -0.09 0.00 -0.03 0.00 0.00 54.58 53.85 3ixt n ASN 76 Cb 0.61 -3.91 -0.10 0.00 -0.61 0.00 0.00 39.78 35.78 3ixt n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ixt s GLN 77 N -6.24 0.50 0.02 3.52 -2.07 -1.10 -2.21 119.66 112.08 3ixt s GLN 77 Ca 0.21 -0.74 0.07 0.00 -1.82 0.00 0.00 55.36 53.08 3ixt s GLN 77 Cb -0.11 0.19 -0.02 0.00 -1.09 0.00 0.00 33.01 31.98 3ixt s GLN 77 CO 0.82 -0.11 -0.20 0.08 -1.32 0.00 0.00 175.29 174.56 3ixt s VAL 78 N -2.33 1.61 -0.05 3.63 1.01 -0.76 -0.98 120.40 122.52 3ixt s VAL 78 Ca -0.07 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 60.90 3ixt s VAL 78 Cb -0.03 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 3ixt s VAL 78 CO -0.04 0.30 -0.20 -0.69 0.00 0.00 0.00 175.10 174.47 3ixt s VAL 79 N -0.67 1.69 -0.11 2.92 1.01 -0.26 -0.16 120.40 124.83 3ixt s VAL 79 Ca 0.07 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3ixt s VAL 79 Cb -0.08 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3ixt s VAL 79 CO 0.01 0.48 -0.21 -0.22 0.00 0.00 0.00 175.10 175.16 3ixt s LEU 80 N 0.02 2.29 -0.10 3.92 2.96 -0.33 -1.80 118.68 125.63 3ixt s LEU 80 Ca -0.06 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3ixt s LEU 80 Cb -0.13 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3ixt s LEU 80 CO 0.03 0.17 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.58 3ixt s LYS 81 N 0.32 3.11 -0.19 1.98 1.02 0.15 -0.56 119.74 125.57 3ixt s LYS 81 Ca -0.16 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.20 3ixt s LYS 81 Cb -0.17 -2.60 0.03 0.00 -0.52 0.00 0.00 37.83 34.56 3ixt s LYS 81 CO 0.08 0.39 -0.16 0.08 -0.92 0.00 0.00 175.35 174.82 3ixt s VAL 82 N -0.10 1.92 0.50 3.17 1.01 0.05 -1.71 120.40 125.24 3ixt s VAL 82 Ca -0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 3ixt s VAL 82 Cb -0.14 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3ixt s VAL 82 CO 0.03 0.37 0.77 0.42 0.00 0.00 0.00 175.10 176.70 3ixt s THR 82 N 1.31 4.27 -1.03 3.92 -4.23 -0.50 -0.23 115.64 119.15 3ixt s THR 82 Ca 0.02 -0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 60.26 3ixt s THR 82 Cb -0.15 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.07 3ixt s THR 82 CO -0.11 -0.56 0.72 -3.20 -0.54 0.00 0.00 174.62 170.93 3ixt n ASN 82 N -2.28 -5.35 -4.77 3.99 5.15 -1.20 -4.89 115.26 105.91 3ixt n ASN 82 Ca 0.02 -0.94 -0.37 0.00 -0.60 0.00 0.00 54.58 52.69 3ixt n ASN 82 Cb 0.57 -2.95 -0.01 0.00 -0.53 0.00 0.00 39.78 36.86 3ixt n ASN 82 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3ixt s MET 82 N -5.63 3.71 0.10 1.20 -1.94 -0.55 -4.59 119.30 111.61 3ixt s MET 82 Ca 0.32 1.80 0.06 0.00 -1.71 0.00 0.00 55.69 56.16 3ixt s MET 82 Cb -0.13 -2.39 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 3ixt s MET 82 CO 0.87 -0.60 -0.16 0.34 -0.01 0.00 0.00 175.02 175.47 3ixt s ASP 83 N -1.34 2.07 0.53 3.03 2.15 -1.26 -0.21 116.67 121.64 3ixt s ASP 83 Ca 0.64 -0.71 0.34 0.00 0.43 0.00 0.00 52.55 53.26 3ixt s ASP 83 Cb -0.29 -0.09 1.50 0.00 -0.30 0.00 0.00 42.92 43.74 3ixt s ASP 83 CO 0.35 -0.05 1.81 -0.65 -0.17 0.00 0.00 175.17 176.46 3ixt h PRO 84 N 3.95 0.04 0.00 4.34 0.11 -1.97 1.05 132.00 139.51 3ixt h PRO 84 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ixt h PRO 84 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ixt h PRO 84 CO 0.44 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 3ixt n ALA 85 N -2.73 1.82 1.12 -0.75 0.00 -1.26 -1.85 120.51 116.85 3ixt n ALA 85 Ca 0.25 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.85 3ixt n ALA 85 Cb 1.18 -1.38 0.57 0.00 0.00 0.00 0.00 19.45 19.82 3ixt n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ixt n ASP 86 N -2.06 0.17 -4.68 0.00 8.00 0.36 -4.84 116.55 113.51 3ixt n ASP 86 Ca 0.03 0.09 -0.46 0.00 0.71 0.00 0.00 54.79 55.16 3ixt n ASP 86 Cb 0.26 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3ixt n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3ixt n THR 87 N -1.38 0.41 -3.86 -3.53 -1.04 -0.77 -4.90 114.28 99.21 3ixt n THR 87 Ca 0.09 -0.07 0.02 0.00 -2.04 0.00 0.00 64.05 62.05 3ixt n THR 87 Cb 0.32 -1.85 0.01 0.00 -1.82 0.00 0.00 70.33 66.98 3ixt n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ixt s ALA 88 N 3.08 -2.42 -0.23 2.41 0.00 -0.14 -4.19 121.76 120.28 3ixt s ALA 88 Ca 0.87 0.28 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 3ixt s ALA 88 Cb -0.64 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 3ixt s ALA 88 CO 0.45 -1.12 0.15 0.99 0.00 0.00 0.00 175.76 176.23 3ixt s THR 89 N -2.12 5.37 -0.15 0.00 2.01 -0.75 -0.43 115.64 119.57 3ixt s THR 89 Ca 0.24 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 3ixt s THR 89 Cb 0.02 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3ixt s THR 89 CO -0.02 0.38 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.97 3ixt s TYR 90 N 0.83 3.11 0.10 4.92 1.51 0.61 -0.52 117.35 127.90 3ixt s TYR 90 Ca 0.08 -0.11 0.10 0.00 -1.01 0.00 0.00 57.07 56.12 3ixt s TYR 90 Cb -0.13 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 3ixt s TYR 90 CO 0.02 0.10 -0.23 0.71 -1.11 0.00 0.00 175.55 175.05 3ixt s TYR 91 N 0.15 2.42 0.25 2.71 1.51 0.40 -1.51 117.35 123.27 3ixt s TYR 91 Ca 0.01 -0.33 0.09 0.00 -1.01 0.00 0.00 57.07 55.83 3ixt s TYR 91 Cb -0.13 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 3ixt s TYR 91 CO 0.02 0.31 -0.02 0.00 -1.11 0.00 0.00 175.55 174.76 3ixt s ALA 93 N -2.18 -1.78 0.55 0.00 0.00 -0.38 -0.87 121.76 117.09 3ixt s ALA 93 Ca 0.30 1.69 -0.16 0.00 0.00 0.00 0.00 51.96 53.80 3ixt s ALA 93 Cb -0.07 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 3ixt s ALA 93 CO 0.19 -0.35 1.01 0.50 0.00 0.00 0.00 175.76 177.11 3ixt s ARG 94 N -0.37 3.74 0.03 0.00 3.00 -0.21 -0.95 118.95 124.20 3ixt s ARG 94 Ca -0.05 1.00 -0.13 0.00 -1.00 0.00 0.00 55.73 55.54 3ixt s ARG 94 Cb -0.03 -2.10 0.02 0.00 0.00 0.00 0.00 34.95 32.84 3ixt s ARG 94 CO 0.05 -0.45 0.29 0.34 0.00 0.00 0.00 175.30 175.53 3ixt s ASP 95 N -3.12 -0.11 0.08 -2.12 2.15 0.35 -3.24 116.67 110.65 3ixt s ASP 95 Ca 0.60 -0.18 0.03 0.00 0.43 0.00 0.00 52.55 53.43 3ixt s ASP 95 Cb -0.12 0.34 -0.03 0.00 -0.30 0.00 0.00 42.92 42.81 3ixt s ASP 95 CO 0.35 -0.58 -0.08 -0.04 -0.17 0.00 0.00 175.17 174.65 3ixt s MET 96 N -2.37 0.72 0.25 4.34 -1.94 -1.22 -0.51 119.30 118.58 3ixt s MET 96 Ca -0.06 -1.06 0.25 0.00 -1.71 0.00 0.00 55.69 53.11 3ixt s MET 96 Cb -0.02 -0.35 0.85 0.00 2.01 0.00 0.00 34.83 37.32 3ixt s MET 96 CO -0.02 0.04 1.76 0.97 -0.01 0.00 0.00 175.02 177.76 3ixt h ILE 97 N 3.75 0.00 0.00 2.53 2.10 -1.75 -1.89 117.51 122.25 3ixt h ILE 97 Ca -0.36 -0.44 -0.03 0.00 1.08 0.00 0.00 64.86 65.10 3ixt h ILE 97 Cb 1.19 1.37 -0.00 0.00 -1.09 0.00 0.00 36.82 38.28 3ixt h ILE 97 CO 0.52 0.00 -0.16 -0.26 -1.08 0.00 0.00 178.15 177.17 3ixt h PHE 98 N 0.00 0.00 -1.21 2.19 0.04 -1.96 -3.41 116.94 112.59 3ixt h PHE 98 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3ixt h PHE 98 Cb 0.64 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 38.56 3ixt h PHE 98 CO 0.00 0.16 -0.42 0.54 -0.60 0.00 0.00 178.31 177.99 3ixt s ASN 99 N -6.07 -1.03 -1.25 2.17 4.22 -0.72 -5.06 114.94 107.21 3ixt s ASN 99 Ca -0.00 0.08 -0.10 0.00 -2.14 0.00 0.00 52.86 50.70 3ixt s ASN 99 Cb 0.11 1.77 -0.07 0.00 1.28 0.00 0.00 41.25 44.34 3ixt s ASN 99 CO 0.60 -0.31 2.45 0.49 -2.04 0.00 0.00 177.10 178.29 3ixt n PHE 100 N 5.40 2.05 -3.99 1.54 3.01 -1.15 -3.40 117.46 120.92 3ixt n PHE 100 Ca 0.03 -2.51 -0.10 0.00 1.01 0.00 0.00 57.45 55.89 3ixt n PHE 100 Cb 0.52 -2.09 -0.07 0.00 -0.01 0.00 0.00 39.48 37.82 3ixt n PHE 100 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 3ixt s TYR 100 N 3.02 0.47 -0.58 1.38 1.13 -1.26 -5.05 117.35 116.46 3ixt s TYR 100 Ca 0.54 -0.83 -0.19 0.00 -1.41 0.00 0.00 57.07 55.18 3ixt s TYR 100 Cb 0.14 -0.12 0.10 0.00 -1.10 0.00 0.00 41.96 40.98 3ixt s TYR 100 CO -0.04 -0.69 0.69 -0.06 -2.51 0.00 0.00 175.55 172.95 3ixt s PHE 100 N -3.98 3.01 0.09 -3.49 0.40 -1.26 -4.33 117.98 108.42 3ixt s PHE 100 Ca 0.18 -0.94 0.03 0.00 -0.60 0.00 0.00 56.93 55.59 3ixt s PHE 100 Cb 0.04 -3.97 -0.24 0.00 0.51 0.00 0.00 43.02 39.36 3ixt s PHE 100 CO 0.00 -1.27 1.18 0.38 0.70 0.00 0.00 175.22 176.22 3ixt h ASP 101 N 9.16 0.17 -3.62 1.36 2.03 -1.92 -3.45 116.42 120.15 3ixt h ASP 101 Ca -0.29 -0.19 -0.51 0.00 -0.73 0.00 0.00 57.03 55.30 3ixt h ASP 101 Cb 1.09 -0.06 -0.32 0.00 -0.83 0.00 0.00 39.33 39.21 3ixt h ASP 101 CO 1.09 1.15 -0.82 -0.69 -1.03 0.00 0.00 179.24 178.95 3ixt s VAL 102 N -2.68 1.17 0.18 4.15 1.01 -1.26 -5.03 120.40 117.94 3ixt s VAL 102 Ca -0.02 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.55 3ixt s VAL 102 Cb 0.09 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3ixt s VAL 102 CO 0.85 0.35 -0.23 0.26 0.00 0.00 0.00 175.10 176.33 3ixt s TRP 103 N 0.40 2.33 0.94 5.22 0.52 -1.26 -1.05 118.94 126.04 3ixt s TRP 103 Ca -0.10 -0.35 -0.15 0.00 0.02 0.00 0.00 56.10 55.53 3ixt s TRP 103 Cb -0.13 -1.17 0.17 0.00 -1.15 0.00 0.00 33.47 31.19 3ixt s TRP 103 CO 0.03 0.48 1.25 0.20 0.02 0.00 0.00 176.95 178.93 3ixt s GLY 104 N -2.60 1.69 0.16 0.98 0.00 -0.05 -4.55 107.32 102.95 3ixt s GLY 104 Ca 0.20 -0.97 0.26 0.00 0.00 0.00 0.00 44.72 44.22 3ixt s GLY 104 CO 0.10 -0.28 1.73 -1.06 0.00 0.00 0.00 173.10 173.59 3ixt n GLN 105 N -3.74 0.22 0.00 2.90 6.02 -1.25 -4.80 117.38 116.72 3ixt n GLN 105 Ca 0.12 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 3ixt n GLN 105 Cb 0.60 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3ixt n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ixt n GLY 106 N 1.35 -0.59 3.03 1.08 0.00 -1.26 -5.03 105.19 103.78 3ixt n GLY 106 Ca 0.05 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 3ixt n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ixt s THR 107 N -3.08 0.64 -0.16 2.61 -1.32 -0.57 -4.84 115.64 108.92 3ixt s THR 107 Ca 0.00 -0.64 -0.10 0.00 -1.21 0.00 0.00 61.69 59.74 3ixt s THR 107 Cb 0.00 -0.59 -0.05 0.00 -1.51 0.00 0.00 72.50 70.35 3ixt s THR 107 CO 0.00 -0.03 0.17 -0.89 -2.21 0.00 0.00 174.62 171.66 3ixt s THR 108 N -0.63 5.41 -0.11 5.08 2.01 -1.26 -0.29 115.64 125.85 3ixt s THR 108 Ca -0.01 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.28 3ixt s THR 108 Cb -0.06 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.99 3ixt s THR 108 CO 0.00 0.50 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.60 3ixt s VAL 109 N -0.17 1.45 -0.12 3.82 1.01 0.43 -4.33 120.40 122.48 3ixt s VAL 109 Ca 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3ixt s VAL 109 Cb -0.12 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3ixt s VAL 109 CO 0.02 0.43 -0.13 -0.89 0.00 0.00 0.00 175.10 174.53 3ixt s THR 110 N 1.12 3.07 -0.37 3.92 2.01 0.16 -0.97 115.64 124.59 3ixt s THR 110 Ca -0.04 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 3ixt s THR 110 Cb -0.14 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.11 3ixt s THR 110 CO -0.03 0.53 0.21 -0.69 -0.69 0.00 0.00 174.62 173.94 3ixt s VAL 111 N 0.23 4.63 -0.01 3.82 1.01 -1.26 -1.84 120.40 126.98 3ixt s VAL 111 Ca -0.09 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 60.84 3ixt s VAL 111 Cb -0.15 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.73 3ixt s VAL 111 CO 0.05 -0.20 0.60 -0.55 0.00 0.00 0.00 175.10 175.00 3ixt s SER 112 N 1.57 -0.55 0.16 3.32 0.15 -1.01 -4.30 113.70 113.03 3ixt s SER 112 Ca 0.03 0.48 0.25 0.00 0.70 0.00 0.00 55.95 57.40 3ixt s SER 112 Cb -0.19 0.51 0.52 0.00 -1.71 0.00 0.00 66.02 65.15 3ixt s SER 112 CO 0.07 -0.64 1.50 0.77 1.20 0.00 0.00 173.24 176.13 3ixt h SER 113 N 2.97 0.00 -4.19 5.45 4.64 -1.96 -3.35 113.55 117.12 3ixt h SER 113 Ca -0.29 -0.13 -0.53 0.00 -0.47 0.00 0.00 61.79 60.38 3ixt h SER 113 Cb 1.17 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.42 3ixt h SER 113 CO 0.39 0.06 0.38 0.00 -0.87 0.00 0.00 176.83 176.80 3ixt s ALA 114 N -3.14 2.10 0.30 5.18 0.00 -1.26 -5.03 121.76 119.90 3ixt s ALA 114 Ca 0.08 0.83 0.05 0.00 0.00 0.00 0.00 51.96 52.91 3ixt s ALA 114 Cb 0.13 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3ixt s ALA 114 CO 0.67 -1.90 0.44 -1.54 0.00 0.00 0.00 175.76 173.43 3ixt s SER 115 N -2.14 6.17 0.44 0.00 1.04 -1.26 -5.01 113.70 112.95 3ixt s SER 115 Ca 0.73 0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.96 3ixt s SER 115 Cb -0.28 -1.66 -0.08 0.00 0.10 0.00 0.00 66.02 64.11 3ixt s SER 115 CO 0.46 -0.25 1.21 -0.89 0.98 0.00 0.00 173.24 174.75 3ixt s THR 116 N -2.12 2.95 -0.06 2.02 2.01 -1.26 -4.81 115.64 114.36 3ixt s THR 116 Ca 0.39 0.76 -0.04 0.00 0.31 0.00 0.00 61.69 63.11 3ixt s THR 116 Cb -0.09 -3.41 0.03 0.00 0.01 0.00 0.00 72.50 69.04 3ixt s THR 116 CO 0.31 0.04 0.15 -0.75 -0.69 0.00 0.00 174.62 173.67 3ixt s LYS 117 N -2.52 0.13 0.54 4.92 2.20 -0.37 -4.95 119.74 119.70 3ixt s LYS 117 Ca 0.61 0.30 -0.18 0.00 -0.36 0.00 0.00 55.97 56.34 3ixt s LYS 117 Cb -0.32 -0.06 -0.06 0.00 -1.51 0.00 0.00 37.83 35.89 3ixt s LYS 117 CO 0.39 -0.10 1.06 0.20 -0.36 0.00 0.00 175.35 176.55 3ixt s GLY 118 N 0.67 2.37 0.65 5.54 0.00 -1.26 -1.94 107.32 113.35 3ixt s GLY 118 Ca -0.05 0.56 -0.11 0.00 0.00 0.00 0.00 44.72 45.12 3ixt s GLY 118 CO -0.03 0.89 1.04 -4.14 0.00 0.00 0.00 173.10 170.86 3ixt s PRO 119 N -3.59 3.37 -0.13 2.90 0.02 -1.26 -4.51 135.00 131.80 3ixt s PRO 119 Ca 0.67 0.78 -0.04 0.00 0.02 0.00 0.00 61.00 62.43 3ixt s PRO 119 Cb -0.18 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.26 3ixt s PRO 119 CO 0.28 -0.74 0.01 -1.12 -0.33 0.00 0.00 177.00 175.10 3ixt s SER 120 N -4.10 5.22 -0.32 2.53 0.01 0.35 -4.92 113.70 112.48 3ixt s SER 120 Ca 0.56 0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.82 3ixt s SER 120 Cb -0.12 -1.71 0.04 0.00 0.21 0.00 0.00 66.02 64.44 3ixt s SER 120 CO 0.54 0.26 0.06 -0.69 0.41 0.00 0.00 173.24 173.82 3ixt s VAL 121 N -0.16 3.47 0.11 3.43 1.01 -1.26 -0.30 120.40 126.70 3ixt s VAL 121 Ca 0.05 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 60.89 3ixt s VAL 121 Cb -0.12 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3ixt s VAL 121 CO 0.02 -0.12 0.02 -0.36 0.00 0.00 0.00 175.10 174.66 3ixt s PHE 122 N 1.35 3.01 0.16 5.22 0.08 -0.02 -4.92 117.98 122.85 3ixt s PHE 122 Ca -0.03 -0.03 -0.27 0.00 0.12 0.00 0.00 56.93 56.72 3ixt s PHE 122 Cb -0.19 -1.52 -0.08 0.00 -0.57 0.00 0.00 43.02 40.66 3ixt s PHE 122 CO 0.01 0.49 0.84 -2.14 -0.10 0.00 0.00 175.22 174.32 3ixt s PRO 123 N -2.47 4.65 -0.55 0.24 0.02 -1.26 0.50 135.00 136.13 3ixt s PRO 123 Ca 0.27 1.27 -0.11 0.00 0.02 0.00 0.00 61.00 62.44 3ixt s PRO 123 Cb -0.11 -3.29 0.14 0.00 0.02 0.00 0.00 34.50 31.25 3ixt s PRO 123 CO 0.19 0.48 0.45 -0.51 -0.33 0.00 0.00 177.00 177.28 3ixt s LEU 124 N -0.88 5.94 0.27 -5.54 1.43 0.30 -4.81 118.68 115.39 3ixt s LEU 124 Ca 0.39 -2.06 -0.28 0.00 -1.03 0.00 0.00 54.13 51.14 3ixt s LEU 124 Cb -0.24 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 3ixt s LEU 124 CO 0.28 -0.70 0.94 0.00 0.23 0.00 0.00 176.35 177.10 3ixt s ALA 125 N 1.15 3.29 1.00 4.21 0.00 -1.26 -1.76 121.76 128.39 3ixt s ALA 125 Ca 0.07 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.61 3ixt s ALA 125 Cb -0.25 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3ixt s ALA 125 CO -0.01 0.20 0.01 -2.30 0.00 0.00 0.00 175.76 173.66 3ixt n PRO 126 N 1.11 -0.72 -0.20 0.00 -0.02 -1.26 -4.93 135.00 128.98 3ixt n PRO 126 Ca -0.00 -0.02 -0.07 0.00 -2.02 0.00 0.00 63.50 61.39 3ixt n PRO 126 Cb 0.48 -0.01 -0.01 0.00 -0.02 0.00 0.00 33.50 33.94 3ixt n PRO 126 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ixt n THR 135 N -2.37 0.12 -5.01 3.45 -1.04 -1.26 -4.57 114.28 103.59 3ixt n THR 135 Ca 0.00 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 3ixt n THR 135 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 3ixt n THR 135 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ixt s ALA 136 N -0.06 1.98 0.08 2.41 0.00 -0.47 -4.83 121.76 120.86 3ixt s ALA 136 Ca 0.11 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.03 3ixt s ALA 136 Cb -0.15 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3ixt s ALA 136 CO 0.08 0.48 0.02 0.00 0.00 0.00 0.00 175.76 176.34 3ixt s ALA 137 N -0.65 3.37 0.22 0.00 0.00 -1.26 -1.04 121.76 122.40 3ixt s ALA 137 Ca 0.09 -1.07 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 3ixt s ALA 137 Cb -0.09 -1.28 0.04 0.00 0.00 0.00 0.00 23.12 21.79 3ixt s ALA 137 CO 0.00 0.71 0.64 -0.48 0.00 0.00 0.00 175.76 176.63 3ixt s LEU 138 N -2.24 -0.34 0.00 0.00 0.05 -0.88 -4.16 118.68 111.11 3ixt s LEU 138 Ca 0.26 -0.34 0.00 0.00 0.05 0.00 0.00 54.13 54.10 3ixt s LEU 138 Cb -0.12 2.58 0.00 0.00 -2.05 0.00 0.00 46.19 46.61 3ixt s LEU 138 CO 0.18 -1.15 0.00 0.61 -0.55 0.00 0.00 176.35 175.45 3ixt n GLY 139 N -0.41 -1.11 3.16 -3.48 0.00 -0.72 -0.26 105.19 102.36 3ixt n GLY 139 Ca -0.10 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 3ixt n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixt s LEU 141 N -0.40 5.14 -0.57 0.00 2.96 0.18 -2.01 118.68 123.97 3ixt s LEU 141 Ca 0.06 -0.93 -0.18 0.00 -0.22 0.00 0.00 54.13 52.86 3ixt s LEU 141 Cb -0.07 -2.16 0.11 0.00 0.50 0.00 0.00 46.19 44.57 3ixt s LEU 141 CO -0.01 -0.46 0.63 -0.69 -1.32 0.00 0.00 176.35 174.50 3ixt s VAL 142 N 1.67 4.95 0.03 1.68 1.01 0.36 -0.84 120.40 129.26 3ixt s VAL 142 Ca 0.05 -1.11 0.06 0.00 0.00 0.00 0.00 61.98 60.98 3ixt s VAL 142 Cb -0.19 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.73 3ixt s VAL 142 CO 0.10 -1.01 -0.16 -0.75 0.00 0.00 0.00 175.10 173.28 3ixt s LYS 143 N 2.33 2.16 -0.65 2.72 2.20 0.59 -0.77 119.74 128.33 3ixt s LYS 143 Ca 0.09 -0.93 -0.00 0.00 -0.36 0.00 0.00 55.97 54.77 3ixt s LYS 143 Cb -0.26 -2.25 -0.00 0.00 -1.51 0.00 0.00 37.83 33.82 3ixt s LYS 143 CO 0.06 0.55 0.61 -0.25 -0.36 0.00 0.00 175.35 175.96 3ixt n ASP 144 N 1.54 -7.06 -4.17 1.43 8.00 -0.70 -0.50 116.55 115.09 3ixt n ASP 144 Ca -0.16 -0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.17 3ixt n ASP 144 Cb 0.52 -4.76 -0.10 0.00 -0.02 0.00 0.00 41.12 36.76 3ixt n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ixt s TYR 145 N -3.00 0.91 -0.24 1.24 1.13 -0.57 -4.05 117.35 112.76 3ixt s TYR 145 Ca 0.00 -0.93 -0.19 0.00 -1.41 0.00 0.00 57.07 54.55 3ixt s TYR 145 Cb -0.00 -0.53 0.07 0.00 -1.10 0.00 0.00 41.96 40.40 3ixt s TYR 145 CO 0.65 -0.16 0.63 0.12 -2.51 0.00 0.00 175.55 174.28 3ixt s PHE 146 N -3.63 -0.80 0.00 -3.49 2.19 -0.82 -0.79 117.98 110.65 3ixt s PHE 146 Ca 0.13 1.79 0.00 0.00 0.33 0.00 0.00 56.93 59.18 3ixt s PHE 146 Cb 0.05 0.36 0.00 0.00 -1.31 0.00 0.00 43.02 42.12 3ixt s PHE 146 CO -0.04 -0.39 0.00 -0.35 1.83 0.00 0.00 175.22 176.27 3ixt n PRO 147 N 3.35 3.25 -1.59 10.12 -0.05 -1.26 -1.24 135.00 147.59 3ixt n PRO 147 Ca -0.17 0.00 -0.32 0.00 -0.05 0.00 0.00 63.50 62.97 3ixt n PRO 147 Cb 0.57 0.00 0.06 0.00 -0.05 0.00 0.00 33.50 34.07 3ixt n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 3ixt s GLU 148 N 3.21 2.77 0.53 0.54 0.41 -1.26 -4.75 118.70 120.16 3ixt s GLU 148 Ca 0.00 1.13 0.03 0.00 -0.41 0.00 0.00 54.97 55.72 3ixt s GLU 148 Cb 0.00 -1.96 0.02 0.00 -1.78 0.00 0.00 34.13 30.40 3ixt s GLU 148 CO 0.00 -1.24 0.21 -1.25 -0.49 0.00 0.00 175.26 172.50 3ixt s PRO 149 N -4.68 2.23 -0.02 0.39 0.04 -1.26 -4.86 135.00 126.84 3ixt s PRO 149 Ca 0.61 -2.21 0.02 0.00 0.04 0.00 0.00 61.00 59.46 3ixt s PRO 149 Cb -0.16 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3ixt s PRO 149 CO 0.50 -0.51 -0.06 0.54 0.04 0.00 0.00 177.00 177.51 3ixt s VAL 150 N -2.83 0.51 -0.07 -0.36 0.11 -1.26 -4.56 120.40 111.94 3ixt s VAL 150 Ca 0.20 -0.23 -0.04 0.00 -2.93 0.00 0.00 61.98 58.98 3ixt s VAL 150 Cb -0.01 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 3ixt s VAL 150 CO 0.12 0.16 0.13 0.42 -3.33 0.00 0.00 175.10 172.60 3ixt s THR 151 N 0.15 5.22 -0.01 5.04 -4.23 -0.71 -4.95 115.64 116.16 3ixt s THR 151 Ca -0.02 -0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.52 3ixt s THR 151 Cb -0.06 -3.33 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 3ixt s THR 151 CO -0.00 0.49 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.65 3ixt s VAL 152 N -1.12 1.86 0.21 2.29 1.01 -1.26 -1.29 120.40 122.10 3ixt s VAL 152 Ca 0.19 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 3ixt s VAL 152 Cb -0.12 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3ixt s VAL 152 CO 0.09 0.48 0.18 -0.94 0.00 0.00 0.00 175.10 174.92 3ixt s SER 153 N -0.67 0.12 -0.03 3.32 1.04 -0.65 -4.96 113.70 111.87 3ixt s SER 153 Ca 0.09 -1.32 0.03 0.00 0.48 0.00 0.00 55.95 55.23 3ixt s SER 153 Cb -0.09 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3ixt s SER 153 CO -0.00 -0.88 -0.11 0.26 0.98 0.00 0.00 173.24 173.49 3ixt s TRP 154 N -4.14 1.12 -1.42 5.02 0.52 -1.26 0.86 118.94 119.63 3ixt s TRP 154 Ca 0.36 -0.30 -0.15 0.00 0.02 0.00 0.00 56.10 56.04 3ixt s TRP 154 Cb 0.06 -0.79 0.13 0.00 -1.15 0.00 0.00 33.47 31.72 3ixt s TRP 154 CO 0.11 -0.12 0.58 0.09 0.02 0.00 0.00 176.95 177.63 3ixt n ASN 155 N 3.30 -3.01 -0.46 2.95 4.13 -0.29 0.16 115.26 122.04 3ixt n ASN 155 Ca -0.19 -0.68 -0.06 0.00 1.68 0.00 0.00 54.58 55.33 3ixt n ASN 155 Cb 0.54 -2.51 -0.03 0.00 -1.54 0.00 0.00 39.78 36.24 3ixt n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3ixt n SER 156 N -2.38 -4.21 0.00 6.41 7.64 -1.26 -2.58 113.62 117.24 3ixt n SER 156 Ca 0.05 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.07 3ixt n SER 156 Cb 0.50 -2.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.46 3ixt n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ixt n GLY 157 N -1.60 0.80 0.20 0.23 0.00 0.12 -4.97 105.19 99.98 3ixt n GLY 157 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3ixt n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixt h ALA 158 N 0.00 0.50 -2.42 4.61 0.00 -1.21 -3.41 119.26 117.33 3ixt h ALA 158 Ca 0.00 -0.58 -0.70 0.00 0.00 0.00 0.00 54.91 53.62 3ixt h ALA 158 Cb 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 17.55 3ixt h ALA 158 CO 0.00 0.72 -0.29 -1.17 0.00 0.00 0.00 179.25 178.51 3ixt s LEU 159 N -8.24 4.95 0.00 0.00 2.96 -1.09 -4.88 118.68 112.38 3ixt s LEU 159 Ca -0.08 -0.76 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 3ixt s LEU 159 Cb 0.10 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.48 3ixt s LEU 159 CO 0.87 -0.53 0.00 0.35 -1.32 0.00 0.00 176.35 175.72 3ixt n THR 160 N 5.34 0.00 -3.05 3.68 -2.24 -1.26 -4.25 114.28 112.50 3ixt n THR 160 Ca -0.09 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 3ixt n THR 160 Cb 0.47 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.28 3ixt n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ixt s SER 161 N -2.11 7.05 0.00 3.42 1.04 -1.26 -3.44 113.70 118.39 3ixt s SER 161 Ca 0.00 1.47 0.00 0.00 0.48 0.00 0.00 55.95 57.90 3ixt s SER 161 Cb 0.00 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.68 3ixt s SER 161 CO 0.00 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.79 3ixt n GLY 162 N 0.46 2.35 3.67 7.32 0.00 -1.26 -4.76 105.19 112.98 3ixt n GLY 162 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3ixt n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixt s VAL 163 N -3.04 4.77 -0.18 1.61 1.01 -1.22 -3.05 120.40 120.30 3ixt s VAL 163 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.89 3ixt s VAL 163 Cb 0.00 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.13 3ixt s VAL 163 CO 0.00 -0.07 -0.17 -1.00 0.00 0.00 0.00 175.10 173.86 3ixt s HIS 164 N 2.56 2.81 -0.26 5.22 3.76 0.33 -5.00 115.29 124.70 3ixt s HIS 164 Ca 0.43 -1.48 -0.05 0.00 -0.15 0.00 0.00 55.06 53.82 3ixt s HIS 164 Cb -0.16 -1.95 0.01 0.00 1.11 0.00 0.00 32.58 31.59 3ixt s HIS 164 CO 0.11 -0.74 0.01 0.99 -0.85 0.00 0.00 174.74 174.27 3ixt s THR 165 N 1.28 3.54 0.23 1.30 2.01 -1.26 -0.64 115.64 122.10 3ixt s THR 165 Ca 0.04 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 3ixt s THR 165 Cb -0.13 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 69.53 3ixt s THR 165 CO -0.10 0.21 0.92 -0.36 -0.69 0.00 0.00 174.62 174.60 3ixt s PHE 166 N 1.45 3.98 0.11 4.92 0.40 -0.25 -4.99 117.98 123.60 3ixt s PHE 166 Ca 0.03 1.88 -0.36 0.00 -0.60 0.00 0.00 56.93 57.88 3ixt s PHE 166 Cb -0.16 -2.95 -0.16 0.00 0.51 0.00 0.00 43.02 40.26 3ixt s PHE 166 CO -0.01 0.47 1.32 -2.30 0.70 0.00 0.00 175.22 175.40 3ixt n PRO 167 N 1.50 1.22 -1.82 0.24 -0.02 -1.26 -4.42 135.00 130.44 3ixt n PRO 167 Ca -0.03 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.51 3ixt n PRO 167 Cb 0.47 -2.06 0.04 0.00 -0.02 0.00 0.00 33.50 31.92 3ixt n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ixt s ALA 168 N 0.37 2.83 0.06 3.55 0.00 -1.26 -4.86 121.76 122.45 3ixt s ALA 168 Ca 0.82 1.30 0.06 0.00 0.00 0.00 0.00 51.96 54.13 3ixt s ALA 168 Cb -0.91 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.62 3ixt s ALA 168 CO 0.47 -1.31 -0.10 0.54 0.00 0.00 0.00 175.76 175.36 3ixt s VAL 169 N -1.32 3.38 -0.43 0.00 0.11 0.68 -4.91 120.40 117.91 3ixt s VAL 169 Ca 0.71 -1.09 -0.20 0.00 -2.93 0.00 0.00 61.98 58.47 3ixt s VAL 169 Cb -0.39 -2.52 0.02 0.00 -1.53 0.00 0.00 36.38 31.96 3ixt s VAL 169 CO 0.47 0.24 0.57 -0.22 -3.33 0.00 0.00 175.10 172.83 3ixt s LEU 170 N -1.84 4.61 0.88 2.54 2.96 -1.26 -1.36 118.68 125.21 3ixt s LEU 170 Ca 0.19 -0.43 -0.12 0.00 -0.22 0.00 0.00 54.13 53.55 3ixt s LEU 170 Cb -0.11 -2.62 0.12 0.00 0.50 0.00 0.00 46.19 44.08 3ixt s LEU 170 CO 0.11 -0.70 1.12 -1.10 -1.32 0.00 0.00 176.35 174.45 3ixt s GLN 171 N 2.59 1.41 0.24 1.98 -0.21 -0.41 -4.92 119.66 120.34 3ixt s GLN 171 Ca 0.19 0.47 0.22 0.00 0.02 0.00 0.00 55.36 56.25 3ixt s GLN 171 Cb -0.15 -1.85 0.96 0.00 1.00 0.00 0.00 33.01 32.97 3ixt s GLN 171 CO 0.17 -2.05 1.66 -1.13 -2.12 0.00 0.00 175.29 171.82 3ixt n SER 172 N -3.70 0.57 0.20 5.90 3.41 -1.26 -1.54 113.62 117.20 3ixt n SER 172 Ca 0.07 0.67 0.14 0.00 -0.26 0.00 0.00 58.87 59.48 3ixt n SER 172 Cb 0.58 -0.78 0.43 0.00 -0.26 0.00 0.00 64.21 64.18 3ixt n SER 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ixt h SER 173 N 0.00 0.00 0.00 4.04 4.64 -2.03 -3.46 113.55 116.74 3ixt h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ixt h SER 173 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3ixt h SER 173 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3ixt n GLY 174 N 0.61 0.47 3.91 -0.77 0.00 -0.59 -5.07 105.19 103.75 3ixt n GLY 174 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3ixt n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixt s LEU 175 N 0.00 4.35 0.47 0.99 1.43 -1.26 -4.88 118.68 119.78 3ixt s LEU 175 Ca 0.00 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.37 3ixt s LEU 175 Cb 0.00 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 3ixt s LEU 175 CO 0.00 0.18 0.81 -0.31 0.23 0.00 0.00 176.35 177.26 3ixt s TYR 176 N -1.48 3.53 -0.09 0.29 2.02 0.03 -1.28 117.35 120.38 3ixt s TYR 176 Ca 0.34 0.97 -0.18 0.00 -0.37 0.00 0.00 57.07 57.83 3ixt s TYR 176 Cb -0.13 -2.42 0.04 0.00 -0.40 0.00 0.00 41.96 39.06 3ixt s TYR 176 CO 0.25 -0.26 0.44 0.45 -1.57 0.00 0.00 175.55 174.85 3ixt s SER 177 N -3.73 -0.40 0.19 2.29 0.15 -0.46 -1.52 113.70 110.22 3ixt s SER 177 Ca 0.50 0.56 -0.19 0.00 0.70 0.00 0.00 55.95 57.53 3ixt s SER 177 Cb -0.10 0.62 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 3ixt s SER 177 CO 0.41 -0.35 0.55 -1.48 1.20 0.00 0.00 173.24 173.56 3ixt s LEU 178 N -0.63 -0.03 0.08 3.45 0.05 0.05 -0.23 118.68 121.42 3ixt s LEU 178 Ca -0.07 -0.41 0.07 0.00 0.05 0.00 0.00 54.13 53.77 3ixt s LEU 178 Cb -0.03 2.25 -0.03 0.00 -2.05 0.00 0.00 46.19 46.32 3ixt s LEU 178 CO 0.04 -1.06 -0.19 -0.44 -0.55 0.00 0.00 176.35 174.15 3ixt s SER 179 N -2.86 2.25 -0.08 1.48 0.01 -1.26 -0.49 113.70 112.76 3ixt s SER 179 Ca 0.08 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.72 3ixt s SER 179 Cb -0.01 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.11 3ixt s SER 179 CO -0.04 0.04 -0.10 -0.55 0.41 0.00 0.00 173.24 173.00 3ixt s SER 180 N -1.71 1.77 0.28 2.44 0.15 -0.85 -1.09 113.70 114.69 3ixt s SER 180 Ca 0.04 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.50 3ixt s SER 180 Cb -0.10 -0.78 -0.06 0.00 -1.71 0.00 0.00 66.02 63.38 3ixt s SER 180 CO 0.03 -0.02 -0.10 0.68 1.20 0.00 0.00 173.24 175.03 3ixt s VAL 181 N 1.00 1.87 -0.12 4.45 -7.23 0.18 -0.89 120.40 119.67 3ixt s VAL 181 Ca -0.08 -2.19 -0.09 0.00 -1.81 0.00 0.00 61.98 57.81 3ixt s VAL 181 Cb -0.15 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.43 3ixt s VAL 181 CO -0.00 -0.34 0.30 0.54 -0.31 0.00 0.00 175.10 175.29 3ixt s VAL 182 N -2.87 -0.01 -0.15 1.32 0.11 0.64 -0.52 120.40 118.92 3ixt s VAL 182 Ca 0.29 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 59.25 3ixt s VAL 182 Cb 0.02 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 3ixt s VAL 182 CO 0.12 0.02 0.27 0.42 -3.33 0.00 0.00 175.10 172.60 3ixt s THR 183 N 0.54 5.31 0.07 5.04 -4.23 -1.17 -2.07 115.64 119.13 3ixt s THR 183 Ca -0.03 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 3ixt s THR 183 Cb -0.05 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 3ixt s THR 183 CO -0.03 0.43 -0.05 0.68 -0.54 0.00 0.00 174.62 175.11 3ixt s VAL 184 N 0.21 0.43 0.12 2.29 -7.23 -0.21 -4.76 120.40 111.25 3ixt s VAL 184 Ca 0.16 -1.84 -0.35 0.00 -1.81 0.00 0.00 61.98 58.15 3ixt s VAL 184 Cb -0.13 -1.55 -0.15 0.00 0.56 0.00 0.00 36.38 35.11 3ixt s VAL 184 CO 0.04 -0.93 1.53 -2.65 -0.31 0.00 0.00 175.10 172.79 3ixt n PRO 185 N 0.09 1.86 0.20 4.82 -0.02 -1.26 -1.37 135.00 139.32 3ixt n PRO 185 Ca -0.14 0.67 0.18 0.00 -2.02 0.00 0.00 63.50 62.20 3ixt n PRO 185 Cb 0.61 -2.41 0.83 0.00 -0.02 0.00 0.00 33.50 32.51 3ixt n PRO 185 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3ixt h SER 186 N 5.75 0.00 1.04 2.55 0.02 -1.89 -2.07 113.55 118.94 3ixt h SER 186 Ca -0.46 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.33 3ixt h SER 186 Cb 1.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 3ixt h SER 186 CO 0.86 0.00 -1.02 0.77 -1.14 0.00 0.00 176.83 176.30 3ixt h SER 187 N 0.00 0.00 0.06 3.07 4.64 -2.01 -3.27 113.55 116.04 3ixt h SER 187 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3ixt h SER 187 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3ixt h SER 187 CO -0.00 0.68 0.00 -1.54 -0.87 0.00 0.00 176.83 175.10 3ixt n SER 188 N -3.12 0.00 -4.76 4.97 3.41 -0.78 -4.74 113.62 108.60 3ixt n SER 188 Ca -0.04 -0.77 -0.35 0.00 -0.26 0.00 0.00 58.87 57.45 3ixt n SER 188 Cb 0.84 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.79 3ixt n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ixt s LEU 189 N -2.07 3.58 0.00 1.04 1.02 -1.24 -0.25 118.68 120.76 3ixt s LEU 189 Ca 0.40 2.27 0.00 0.00 0.02 0.00 0.00 54.13 56.82 3ixt s LEU 189 Cb 0.19 -4.59 0.00 0.00 0.02 0.00 0.00 46.19 41.81 3ixt s LEU 189 CO 0.33 -1.62 0.00 0.61 0.02 0.00 0.00 176.35 175.70 3ixt n GLY 190 N 0.24 1.45 0.26 -3.19 0.00 -1.26 -4.40 105.19 98.28 3ixt n GLY 190 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3ixt n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ixt n THR 191 N -0.75 1.29 -2.91 2.61 -2.24 -1.21 -4.94 114.28 106.13 3ixt n THR 191 Ca 0.00 -0.34 -0.40 0.00 -2.27 0.00 0.00 64.05 61.03 3ixt n THR 191 Cb 0.00 -1.77 -0.05 0.00 -2.10 0.00 0.00 70.33 66.42 3ixt n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3ixt s GLN 192 N -2.43 4.54 -0.09 -0.78 2.00 0.65 -5.05 119.66 118.50 3ixt s GLN 192 Ca -0.33 1.16 -0.14 0.00 -2.00 0.00 0.00 55.36 54.05 3ixt s GLN 192 Cb 0.12 -3.38 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 3ixt s GLN 192 CO 0.42 0.21 0.35 0.99 -0.50 0.00 0.00 175.29 176.77 3ixt s THR 193 N 0.16 5.20 -0.16 -0.34 2.01 -1.26 -4.71 115.64 116.53 3ixt s THR 193 Ca 0.42 0.69 0.02 0.00 0.31 0.00 0.00 61.69 63.12 3ixt s THR 193 Cb -0.21 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.65 3ixt s THR 193 CO 0.24 0.48 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.14 3ixt s TYR 194 N -0.29 2.71 -0.14 4.92 2.02 -1.26 -4.97 117.35 120.35 3ixt s TYR 194 Ca 0.21 -1.52 0.00 0.00 -0.37 0.00 0.00 57.07 55.39 3ixt s TYR 194 Cb -0.15 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 3ixt s TYR 194 CO 0.09 -0.73 -0.13 0.42 -1.57 0.00 0.00 175.55 173.63 3ixt s ILE 195 N 1.13 1.45 -0.03 2.71 1.01 -1.26 -0.88 121.20 125.33 3ixt s ILE 195 Ca 0.01 -0.56 -0.23 0.00 0.00 0.00 0.00 60.65 59.86 3ixt s ILE 195 Cb -0.14 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3ixt s ILE 195 CO -0.09 0.44 0.71 0.00 0.00 0.00 0.00 174.94 176.00 3ixt s ASN 197 N 0.45 5.67 0.00 0.00 -0.87 0.25 -1.57 114.94 118.88 3ixt s ASN 197 Ca 0.37 -2.18 -0.18 0.00 -1.57 0.00 0.00 52.86 49.30 3ixt s ASN 197 Cb -0.19 -1.98 -0.06 0.00 -0.02 0.00 0.00 41.25 39.01 3ixt s ASN 197 CO 0.19 -0.60 0.51 -0.69 -2.57 0.00 0.00 177.10 173.94 3ixt s VAL 198 N 0.95 4.93 -0.07 1.60 1.01 0.74 -1.64 120.40 127.93 3ixt s VAL 198 Ca 0.09 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.13 3ixt s VAL 198 Cb -0.23 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.34 3ixt s VAL 198 CO -0.02 0.50 -0.01 0.21 0.00 0.00 0.00 175.10 175.77 3ixt s ASN 199 N -0.63 1.44 -0.61 3.32 2.47 -0.41 -1.35 114.94 119.17 3ixt s ASN 199 Ca 0.27 -0.10 0.05 0.00 0.42 0.00 0.00 52.86 53.50 3ixt s ASN 199 Cb -0.18 -0.45 0.17 0.00 -1.45 0.00 0.00 41.25 39.34 3ixt s ASN 199 CO 0.15 -0.16 0.46 1.57 -3.72 0.00 0.00 177.10 175.41 3ixt n HIS 200 N 4.87 1.93 -0.27 0.43 -0.00 0.48 -1.73 115.22 120.93 3ixt n HIS 200 Ca -0.12 -3.99 0.06 0.00 -0.00 0.00 0.00 57.72 53.68 3ixt n HIS 200 Cb 0.50 -0.35 0.20 0.00 -0.00 0.00 0.00 29.99 30.35 3ixt n HIS 200 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3ixt h LYS 201 N 5.39 0.47 -0.84 1.57 1.57 -1.80 -1.16 116.57 121.76 3ixt h LYS 201 Ca 0.19 -0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.18 3ixt h LYS 201 Cb 0.80 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 3ixt h LYS 201 CO 0.61 0.31 0.79 -1.35 -0.57 0.00 0.00 179.45 179.24 3ixt h PRO 202 N 0.48 0.00 -0.01 3.15 0.11 -1.92 0.66 132.00 134.47 3ixt h PRO 202 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3ixt h PRO 202 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3ixt h PRO 202 CO -0.40 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.26 3ixt n SER 203 N -3.74 2.17 -4.12 -2.05 3.41 -0.54 -4.96 113.62 103.80 3ixt n SER 203 Ca 0.18 -2.39 -0.32 0.00 -0.26 0.00 0.00 58.87 56.08 3ixt n SER 203 Cb 1.08 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 3ixt n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3ixt n ASN 204 N -0.80 -1.96 -4.47 4.04 2.85 0.23 -4.94 115.26 110.22 3ixt n ASN 204 Ca 0.06 -1.02 -0.34 0.00 -0.11 0.00 0.00 54.58 53.17 3ixt n ASN 204 Cb 0.40 -2.84 -0.12 0.00 1.24 0.00 0.00 39.78 38.46 3ixt n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3ixt s THR 205 N -3.61 3.91 -0.10 -0.44 2.01 -0.62 -4.98 115.64 111.82 3ixt s THR 205 Ca 0.41 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.08 3ixt s THR 205 Cb -0.22 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.56 3ixt s THR 205 CO 0.91 0.46 -0.09 -0.54 -0.69 0.00 0.00 174.62 174.67 3ixt s LYS 206 N 0.71 1.63 -0.03 4.92 1.02 -1.26 -0.39 119.74 126.34 3ixt s LYS 206 Ca -0.01 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.69 3ixt s LYS 206 Cb -0.14 -1.56 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 3ixt s LYS 206 CO 0.02 -0.17 -0.12 0.08 -0.92 0.00 0.00 175.35 174.24 3ixt s VAL 207 N 1.37 1.03 -0.28 3.17 1.01 -0.45 -5.01 120.40 121.23 3ixt s VAL 207 Ca -0.01 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3ixt s VAL 207 Cb -0.14 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.41 3ixt s VAL 207 CO -0.05 0.31 -0.05 -1.81 0.00 0.00 0.00 175.10 173.50 3ixt s ASP 208 N 0.14 4.39 -0.14 3.32 1.01 -1.26 -0.19 116.67 123.94 3ixt s ASP 208 Ca -0.03 -1.55 -0.04 0.00 0.71 0.00 0.00 52.55 51.63 3ixt s ASP 208 Cb -0.10 -1.46 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 3ixt s ASP 208 CO 0.01 -0.26 0.01 -0.75 0.21 0.00 0.00 175.17 174.40 3ixt s LYS 209 N 1.13 3.53 -0.26 8.23 2.47 -0.61 -4.93 119.74 129.31 3ixt s LYS 209 Ca -0.03 -0.42 -0.23 0.00 -1.56 0.00 0.00 55.97 53.74 3ixt s LYS 209 Cb -0.19 -2.97 -0.01 0.00 -1.46 0.00 0.00 37.83 33.19 3ixt s LYS 209 CO -0.07 0.42 0.74 0.21 0.16 0.00 0.00 175.35 176.82 3ixt s LYS 210 N -0.09 4.10 -0.14 4.03 2.20 -1.26 -0.91 119.74 127.67 3ixt s LYS 210 Ca 0.04 0.71 -0.15 0.00 -0.36 0.00 0.00 55.97 56.21 3ixt s LYS 210 Cb -0.13 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 3ixt s LYS 210 CO 0.02 -0.51 0.37 0.08 -0.36 0.00 0.00 175.35 174.94 3ixt s VAL 211 N 2.74 5.26 -0.04 4.02 1.01 -0.06 -4.99 120.40 128.35 3ixt s VAL 211 Ca 0.31 0.71 -0.17 0.00 0.00 0.00 0.00 61.98 62.83 3ixt s VAL 211 Cb -0.15 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3ixt s VAL 211 CO 0.09 0.37 0.38 -1.61 0.00 0.00 0.00 175.10 174.32 3ixt s GLU 212 N 0.50 0.70 0.00 2.72 2.02 -1.26 -4.26 118.70 119.12 3ixt s GLU 212 Ca 0.20 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.16 3ixt s GLU 212 Cb -0.14 0.32 0.00 0.00 0.10 0.00 0.00 34.13 34.41 3ixt s GLU 212 CO 0.06 -0.19 0.23 -2.30 0.02 0.00 0.00 175.26 173.08