#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i12 s MET 1 N 0.00 0.24 0.32 1.43 1.75 -0.39 -4.98 119.30 117.67 1i12 s MET 1 Ca 0.00 0.76 -0.27 0.00 -1.25 0.00 0.00 55.69 54.92 1i12 s MET 1 Cb 0.00 0.02 -0.09 0.00 2.84 0.00 0.00 34.83 37.59 1i12 s MET 1 CO 0.00 -0.22 1.05 -1.12 -0.65 0.00 0.00 175.02 174.08 1i12 s SER 2 N 1.97 7.13 0.34 1.11 0.01 -1.26 -0.45 113.70 122.54 1i12 s SER 2 Ca -0.04 2.11 0.08 0.00 1.31 0.00 0.00 55.95 59.41 1i12 s SER 2 Cb -0.11 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.45 1i12 s SER 2 CO -0.10 -0.23 -0.05 -0.76 0.41 0.00 0.00 173.24 172.50 1i12 s LEU 3 N -1.91 2.66 0.84 2.44 1.43 0.59 -4.89 118.68 119.85 1i12 s LEU 3 Ca 0.49 -1.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.24 1i12 s LEU 3 Cb -0.27 -0.84 0.10 0.00 0.03 0.00 0.00 46.19 45.22 1i12 s LEU 3 CO 0.34 -0.32 1.12 -2.16 0.23 0.00 0.00 176.35 175.56 1i12 s PRO 4 N -3.68 1.61 -1.49 1.29 0.04 -1.26 -3.52 135.00 127.98 1i12 s PRO 4 Ca 0.33 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 62.70 1i12 s PRO 4 Cb 0.05 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.80 1i12 s PRO 4 CO 0.16 -2.16 0.51 -0.25 0.04 0.00 0.00 177.00 175.29 1i12 n ASP 5 N -3.87 -5.46 -0.25 6.66 8.00 -1.26 -3.52 116.55 116.86 1i12 n ASP 5 Ca 0.11 -0.26 -0.01 0.00 0.71 0.00 0.00 54.79 55.33 1i12 n ASP 5 Cb 0.52 -4.45 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1i12 n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i12 n GLY 6 N -1.37 0.47 3.44 0.44 0.00 -1.25 -4.97 105.19 101.94 1i12 n GLY 6 Ca -0.10 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1i12 n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i12 s PHE 7 N -2.29 2.05 0.09 1.61 0.08 -1.23 -0.88 117.98 117.41 1i12 s PHE 7 Ca 0.01 -0.58 -0.07 0.00 0.12 0.00 0.00 56.93 56.41 1i12 s PHE 7 Cb -0.00 -1.09 -0.01 0.00 -0.57 0.00 0.00 43.02 41.35 1i12 s PHE 7 CO 0.01 0.43 0.15 1.52 -0.10 0.00 0.00 175.22 177.23 1i12 s TYR 8 N -2.84 0.28 0.05 0.36 -0.85 -0.64 -0.30 117.35 113.41 1i12 s TYR 8 Ca 0.29 -0.72 0.08 0.00 -0.52 0.00 0.00 57.07 56.19 1i12 s TYR 8 Cb 0.01 -0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 1i12 s TYR 8 CO 0.12 -0.53 -0.21 -1.50 -1.52 0.00 0.00 175.55 171.91 1i12 s ILE 9 N -3.89 1.72 0.22 -3.49 2.07 0.40 -0.64 121.20 117.58 1i12 s ILE 9 Ca 0.08 -1.26 -0.20 0.00 -1.41 0.00 0.00 60.65 57.85 1i12 s ILE 9 Cb 0.05 -1.50 0.04 0.00 0.13 0.00 0.00 42.46 41.18 1i12 s ILE 9 CO -0.09 0.18 0.62 0.00 -1.91 0.00 0.00 174.94 173.75 1i12 s ARG 10 N -1.29 1.52 0.45 3.50 1.70 -0.80 -1.27 118.95 122.77 1i12 s ARG 10 Ca 0.08 -0.81 -0.23 0.00 -0.47 0.00 0.00 55.73 54.30 1i12 s ARG 10 Cb -0.09 0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 34.79 1i12 s ARG 10 CO 0.02 -0.67 1.18 1.03 -1.08 0.00 0.00 175.30 175.78 1i12 s ARG 11 N -3.86 3.77 0.53 3.89 0.52 -1.26 -1.19 118.95 121.34 1i12 s ARG 11 Ca 0.08 1.82 -0.22 0.00 -0.52 0.00 0.00 55.73 56.89 1i12 s ARG 11 Cb -0.03 -2.44 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 1i12 s ARG 11 CO -0.02 -0.56 1.34 1.41 0.02 0.00 0.00 175.30 177.50 1i12 s MET 12 N -2.64 3.25 0.24 3.54 -2.45 0.42 -4.77 119.30 116.89 1i12 s MET 12 Ca 0.63 2.20 0.05 0.00 -1.25 0.00 0.00 55.69 57.32 1i12 s MET 12 Cb -0.30 -2.30 -0.05 0.00 1.25 0.00 0.00 34.83 33.43 1i12 s MET 12 CO 0.36 -1.09 -0.05 -1.21 1.05 0.00 0.00 175.02 174.08 1i12 s GLU 13 N -2.85 1.40 0.26 4.11 2.02 -1.26 -5.03 118.70 117.35 1i12 s GLU 13 Ca 0.70 -1.69 -0.02 0.00 0.02 0.00 0.00 54.97 53.98 1i12 s GLU 13 Cb -0.39 -0.89 0.54 0.00 0.10 0.00 0.00 34.13 33.49 1i12 s GLU 13 CO 0.47 0.00 1.71 0.93 0.02 0.00 0.00 175.26 178.39 1i12 h GLU 14 N 2.43 0.38 0.00 1.61 5.08 -1.96 -1.35 114.58 120.77 1i12 h GLU 14 Ca -0.39 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1i12 h GLU 14 Cb 1.22 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1i12 h GLU 14 CO 0.65 0.25 0.00 0.41 -1.00 0.00 0.00 179.01 179.33 1i12 n GLY 15 N -1.34 -0.85 0.05 -3.84 0.00 -1.26 -2.95 105.19 95.00 1i12 n GLY 15 Ca 0.17 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.30 1i12 n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i12 n ASP 16 N -1.50 0.16 -0.28 1.61 8.00 -0.51 -4.47 116.55 119.57 1i12 n ASP 16 Ca 0.02 -0.71 -0.10 0.00 0.71 0.00 0.00 54.79 54.71 1i12 n ASP 16 Cb 0.12 -0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 1i12 n ASP 16 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1i12 h LEU 17 N 0.22 -1.83 -0.11 0.64 5.85 -1.72 0.66 115.31 119.02 1i12 h LEU 17 Ca 0.00 0.28 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1i12 h LEU 17 Cb 0.17 0.81 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1i12 h LEU 17 CO 0.00 -0.32 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.64 1i12 h GLU 18 N -0.18 -0.06 -0.38 1.25 4.22 -1.90 -0.05 114.58 117.48 1i12 h GLU 18 Ca 0.16 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.45 1i12 h GLU 18 Cb 0.52 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1i12 h GLU 18 CO -0.78 -0.04 -0.37 1.96 -2.18 0.00 0.00 179.01 177.60 1i12 h GLN 19 N -0.06 0.90 -0.34 1.92 4.20 -1.76 -2.64 115.11 117.32 1i12 h GLN 19 Ca 0.07 -0.46 -0.09 0.00 0.06 0.00 0.00 58.65 58.22 1i12 h GLN 19 Cb 0.16 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1i12 h GLN 19 CO -0.15 1.11 -0.18 0.28 -0.67 0.00 0.00 178.83 179.21 1i12 h VAL 20 N 0.74 1.26 -0.28 -0.54 2.07 -0.76 -1.60 116.25 117.13 1i12 h VAL 20 Ca 0.06 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1i12 h VAL 20 Cb 0.96 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1i12 h VAL 20 CO 0.09 0.40 0.17 0.74 0.02 0.00 0.00 177.57 178.99 1i12 h THR 21 N 0.56 1.09 -0.79 2.57 2.02 -0.80 0.41 112.91 117.97 1i12 h THR 21 Ca 0.09 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1i12 h THR 21 Cb 0.63 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1i12 h THR 21 CO 0.04 0.09 0.39 -0.33 0.37 0.00 0.00 175.52 176.08 1i12 h GLU 22 N 0.36 1.13 -0.21 6.66 4.39 -1.19 -2.23 114.58 123.48 1i12 h GLU 22 Ca 0.10 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1i12 h GLU 22 Cb -0.00 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 1i12 h GLU 22 CO -0.02 0.87 0.05 1.15 -1.16 0.00 0.00 179.01 179.90 1i12 h THR 23 N 1.11 1.21 0.00 1.13 2.02 -0.97 -2.98 112.91 114.43 1i12 h THR 23 Ca 0.27 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1i12 h THR 23 Cb 0.10 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1i12 h THR 23 CO -0.04 0.21 -0.02 -0.07 0.37 0.00 0.00 175.52 175.97 1i12 h LEU 24 N 0.16 0.00 -1.02 2.58 3.38 -0.76 -1.95 115.31 117.70 1i12 h LEU 24 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1i12 h LEU 24 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1i12 h LEU 24 CO 0.00 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.84 1i12 n LYS 25 N -3.14 0.17 0.21 1.13 5.02 -0.85 -0.49 118.16 120.21 1i12 n LYS 25 Ca -0.00 0.52 0.08 0.00 -2.02 0.00 0.00 58.31 56.89 1i12 n LYS 25 Cb 0.27 -1.91 0.42 0.00 -0.02 0.00 0.00 35.03 33.79 1i12 n LYS 25 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1i12 h VAL 26 N 0.00 0.69 0.00 -0.18 2.07 -1.46 -3.31 116.25 114.05 1i12 h VAL 26 Ca 0.00 -1.25 -0.12 0.00 0.82 0.00 0.00 66.70 66.15 1i12 h VAL 26 Cb 0.21 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1i12 h VAL 26 CO 0.00 0.27 -0.82 0.25 0.02 0.00 0.00 177.57 177.30 1i12 h LEU 27 N 0.00 0.00 0.00 2.57 5.85 -0.96 -3.51 115.31 119.26 1i12 h LEU 27 Ca -0.00 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1i12 h LEU 27 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1i12 h LEU 27 CO 0.04 1.12 0.00 1.07 -0.34 0.00 0.00 178.44 180.33 1i12 n THR 28 N -4.53 0.00 -1.95 1.05 5.66 -0.81 -5.14 114.28 108.55 1i12 n THR 28 Ca -0.19 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.39 1i12 n THR 28 Cb 0.47 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.23 1i12 n THR 28 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1i12 s THR 29 N -2.52 2.58 -0.20 1.09 2.01 -1.26 -4.03 115.64 113.31 1i12 s THR 29 Ca 0.00 0.45 -0.09 0.00 0.31 0.00 0.00 61.69 62.36 1i12 s THR 29 Cb 0.00 -3.29 -0.09 0.00 0.01 0.00 0.00 72.50 69.14 1i12 s THR 29 CO 0.00 0.05 -0.25 0.52 -0.69 0.00 0.00 174.62 174.25 1i12 n VAL 30 N 3.14 1.09 -1.79 3.82 0.31 -1.26 -5.01 118.33 118.64 1i12 n VAL 30 Ca 0.10 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1i12 n VAL 30 Cb 0.39 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1i12 n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i12 n GLY 31 N 1.81 -1.85 3.52 2.92 0.00 -1.26 -4.83 105.19 105.50 1i12 n GLY 31 Ca -0.39 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 1i12 n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i12 s THR 32 N 0.00 5.20 -0.16 2.61 -1.32 -1.26 -5.05 115.64 115.66 1i12 s THR 32 Ca 0.00 -0.21 0.01 0.00 -1.21 0.00 0.00 61.69 60.27 1i12 s THR 32 Cb 0.00 -3.65 0.01 0.00 -1.51 0.00 0.00 72.50 67.34 1i12 s THR 32 CO 0.00 0.02 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.63 1i12 s ILE 33 N 1.71 2.44 0.57 5.08 1.01 -1.26 -5.12 121.20 125.63 1i12 s ILE 33 Ca 0.06 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 1i12 s ILE 33 Cb -0.17 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 1i12 s ILE 33 CO 0.10 0.52 1.03 0.42 0.00 0.00 0.00 174.94 177.01 1i12 s THR 34 N 0.99 4.19 0.32 2.92 -4.23 -1.26 -4.87 115.64 113.70 1i12 s THR 34 Ca -0.02 0.99 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 1i12 s THR 34 Cb -0.15 -3.56 0.27 0.00 1.34 0.00 0.00 72.50 70.40 1i12 s THR 34 CO -0.04 -0.66 1.97 -0.65 -0.54 0.00 0.00 174.62 174.70 1i12 h PRO 35 N 0.49 0.96 -0.15 3.99 0.11 -1.99 -0.82 132.00 134.58 1i12 h PRO 35 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1i12 h PRO 35 Cb 1.20 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1i12 h PRO 35 CO 0.59 0.63 0.08 1.49 -0.21 0.00 0.00 178.00 180.59 1i12 h GLU 36 N 0.98 0.17 -0.60 1.05 4.81 -1.99 0.13 114.58 119.13 1i12 h GLU 36 Ca 0.30 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1i12 h GLU 36 Cb -0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1i12 h GLU 36 CO -0.08 0.11 0.26 0.77 -0.73 0.00 0.00 179.01 179.35 1i12 h SER 37 N 0.18 0.81 -0.39 1.04 0.02 -1.83 -2.13 113.55 111.24 1i12 h SER 37 Ca 0.06 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1i12 h SER 37 Cb -0.01 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1i12 h SER 37 CO -0.02 0.73 0.17 0.15 -1.14 0.00 0.00 176.83 176.72 1i12 h PHE 38 N 0.82 0.64 -0.63 3.45 3.57 -0.80 -0.66 116.94 123.33 1i12 h PHE 38 Ca 0.20 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1i12 h PHE 38 Cb 0.16 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1i12 h PHE 38 CO 0.00 0.51 0.24 0.00 -2.23 0.00 0.00 178.31 176.84 1i12 h LYS 40 N 0.89 1.13 -0.25 0.00 1.57 -0.76 -1.07 116.57 118.08 1i12 h LYS 40 Ca 0.21 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1i12 h LYS 40 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1i12 h LYS 40 CO -0.02 1.00 0.13 1.25 -0.57 0.00 0.00 179.45 181.24 1i12 h LEU 41 N 1.07 0.31 -0.89 2.94 5.85 -0.73 -1.70 115.31 122.17 1i12 h LEU 41 Ca 0.22 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1i12 h LEU 41 Cb 0.38 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1i12 h LEU 41 CO 0.00 0.33 0.46 0.40 -0.34 0.00 0.00 178.44 179.30 1i12 h ILE 42 N 0.27 1.26 -0.60 4.05 1.08 -1.02 0.41 117.51 122.96 1i12 h ILE 42 Ca 0.09 -0.68 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 1i12 h ILE 42 Cb 0.09 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 33.90 1i12 h ILE 42 CO -0.01 0.30 0.31 0.50 -0.69 0.00 0.00 178.15 178.56 1i12 h LYS 43 N 1.25 0.85 -0.19 2.37 3.64 -0.98 0.41 116.57 123.92 1i12 h LYS 43 Ca 0.31 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1i12 h LYS 43 Cb 0.06 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1i12 h LYS 43 CO -0.05 0.66 0.08 -0.92 -2.27 0.00 0.00 179.45 176.96 1i12 h TYR 44 N 0.82 0.29 0.00 1.91 3.20 -0.84 -1.78 116.97 120.57 1i12 h TYR 44 Ca 0.21 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1i12 h TYR 44 Cb 0.07 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 1i12 h TYR 44 CO -0.01 0.34 -0.07 -1.49 -1.64 0.00 0.00 178.16 175.29 1i12 h TRP 45 N 0.16 0.00 -0.01 -3.82 6.55 -0.61 -0.75 115.95 117.47 1i12 h TRP 45 Ca 0.06 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1i12 h TRP 45 Cb 0.17 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.47 1i12 h TRP 45 CO -0.01 0.07 -0.25 0.09 -1.05 0.00 0.00 178.44 177.29 1i12 n ASN 46 N -3.65 1.65 -0.01 -3.49 3.02 0.11 -4.30 115.26 108.59 1i12 n ASN 46 Ca -0.02 -1.32 0.01 0.00 -0.03 0.00 0.00 54.58 53.22 1i12 n ASN 46 Cb 0.18 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 1i12 n ASN 46 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i12 n GLU 47 N -0.08 1.19 -2.25 3.52 4.71 -0.71 -4.99 120.64 122.04 1i12 n GLU 47 Ca 0.13 -0.02 -0.43 0.00 -0.01 0.00 0.00 57.16 56.83 1i12 n GLU 47 Cb 0.42 -1.08 -0.02 0.00 -1.01 0.00 0.00 31.44 29.74 1i12 n GLU 47 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i12 s ALA 48 N -2.19 3.25 0.24 0.62 0.00 -0.35 -4.99 121.76 118.34 1i12 s ALA 48 Ca -0.01 0.24 0.11 0.00 0.00 0.00 0.00 51.96 52.30 1i12 s ALA 48 Cb 0.02 -3.85 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 1i12 s ALA 48 CO 0.14 -1.99 -0.14 0.95 0.00 0.00 0.00 175.76 174.72 1i12 s THR 49 N 5.04 2.81 -0.25 0.00 -4.23 -1.26 -1.82 115.64 115.94 1i12 s THR 49 Ca 0.65 -2.06 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 1i12 s THR 49 Cb -0.20 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1i12 s THR 49 CO 0.28 -0.27 0.28 -0.69 -0.54 0.00 0.00 174.62 173.68 1i12 s VAL 50 N -2.11 5.26 -0.03 2.29 1.01 -0.06 -4.76 120.40 121.99 1i12 s VAL 50 Ca 0.27 0.40 -0.38 0.00 0.00 0.00 0.00 61.98 62.27 1i12 s VAL 50 Cb -0.07 -3.61 -0.17 0.00 0.00 0.00 0.00 36.38 32.54 1i12 s VAL 50 CO 0.15 0.25 1.45 1.87 0.00 0.00 0.00 175.10 178.82 1i12 n TRP 51 N 4.80 1.64 -3.62 5.22 -0.00 -1.26 -4.46 117.44 119.75 1i12 n TRP 51 Ca -0.11 0.63 -0.15 0.00 -0.00 0.00 0.00 57.50 57.87 1i12 n TRP 51 Cb 0.51 -2.36 -0.07 0.00 -0.00 0.00 0.00 31.31 29.39 1i12 n TRP 51 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1i12 s ASN 52 N 1.41 -0.67 -0.93 5.87 3.04 -1.26 -5.07 114.94 117.33 1i12 s ASN 52 Ca 0.89 1.17 -0.00 0.00 0.04 0.00 0.00 52.86 54.95 1i12 s ASN 52 Cb -1.01 1.15 0.30 0.00 -1.54 0.00 0.00 41.25 40.15 1i12 s ASN 52 CO 0.53 -0.32 1.38 0.47 -3.04 0.00 0.00 177.10 176.13 1i12 n ASP 53 N 2.28 5.99 0.00 -4.21 8.00 -1.26 -5.07 116.55 122.28 1i12 n ASP 53 Ca -0.15 -3.52 0.00 0.00 0.71 0.00 0.00 54.79 51.83 1i12 n ASP 53 Cb 0.56 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1i12 n ASP 53 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1i12 n ASN 54 N 0.71 0.00 -4.33 -2.24 3.02 -1.26 -5.27 115.26 105.89 1i12 n ASN 54 Ca 0.33 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.55 1i12 n ASN 54 Cb 0.33 0.14 -0.15 0.00 -0.61 0.00 0.00 39.78 39.49 1i12 n ASN 54 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1i12 s LYS 58 N -0.56 3.29 -0.35 3.52 1.02 -1.26 -5.28 119.74 120.12 1i12 s LYS 58 Ca 0.00 -0.74 -0.15 0.00 0.02 0.00 0.00 55.97 55.10 1i12 s LYS 58 Cb 0.00 -2.54 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1i12 s LYS 58 CO 0.00 0.21 0.33 0.42 -0.92 0.00 0.00 175.35 175.39 1i12 s ILE 59 N 0.34 5.20 0.03 2.17 1.01 -1.26 -5.06 121.20 123.62 1i12 s ILE 59 Ca -0.13 -0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.21 1i12 s ILE 59 Cb -0.16 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 1i12 s ILE 59 CO 0.07 -0.09 0.78 -0.04 0.00 0.00 0.00 174.94 175.65 1i12 s MET 60 N 1.94 4.50 0.21 2.79 -1.94 -1.26 -0.89 119.30 124.65 1i12 s MET 60 Ca 0.10 1.08 -0.10 0.00 -1.71 0.00 0.00 55.69 55.06 1i12 s MET 60 Cb -0.17 -3.38 0.18 0.00 2.01 0.00 0.00 34.83 33.46 1i12 s MET 60 CO 0.11 0.22 1.87 1.96 -0.01 0.00 0.00 175.02 179.17 1i12 h GLN 61 N 5.92 0.93 -6.29 2.03 4.20 -1.66 -3.41 115.11 116.83 1i12 h GLN 61 Ca -0.43 -0.06 -0.68 0.00 0.06 0.00 0.00 58.65 57.54 1i12 h GLN 61 Cb 1.21 -0.21 -0.20 0.00 0.30 0.00 0.00 27.48 28.57 1i12 h GLN 61 CO 0.72 0.61 -0.73 0.71 -0.67 0.00 0.00 178.83 179.47 1i12 s TYR 62 N -6.13 2.81 -0.41 2.96 1.51 -1.26 -0.78 117.35 116.05 1i12 s TYR 62 Ca -0.13 -0.08 0.07 0.00 -1.01 0.00 0.00 57.07 55.92 1i12 s TYR 62 Cb 0.15 -1.63 0.24 0.00 -0.11 0.00 0.00 41.96 40.61 1i12 s TYR 62 CO 0.78 0.29 0.52 0.09 -1.11 0.00 0.00 175.55 176.11 1i12 n ASN 63 N 2.00 0.41 -4.64 2.29 3.02 -0.97 -4.93 115.26 112.45 1i12 n ASN 63 Ca -0.17 -2.72 -0.43 0.00 -0.03 0.00 0.00 54.58 51.23 1i12 n ASN 63 Cb 0.52 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 1i12 n ASN 63 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1i12 s PRO 64 N -1.17 4.03 0.11 3.52 0.04 -1.26 -3.17 135.00 137.10 1i12 s PRO 64 Ca 0.35 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.74 1i12 s PRO 64 Cb 0.15 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 1i12 s PRO 64 CO -0.11 -0.96 -0.10 -1.64 0.04 0.00 0.00 177.00 174.22 1i12 s MET 65 N 3.86 2.11 -0.01 4.56 -1.94 -0.09 -0.43 119.30 127.35 1i12 s MET 65 Ca 0.52 -1.04 0.05 0.00 -1.71 0.00 0.00 55.69 53.51 1i12 s MET 65 Cb -0.16 -2.29 -0.01 0.00 2.01 0.00 0.00 34.83 34.37 1i12 s MET 65 CO 0.19 0.50 -0.15 0.14 -0.01 0.00 0.00 175.02 175.69 1i12 s VAL 66 N -1.23 1.21 -0.23 -6.03 -7.23 -0.33 -1.99 120.40 104.57 1i12 s VAL 66 Ca 0.21 -0.65 -0.08 0.00 -1.81 0.00 0.00 61.98 59.65 1i12 s VAL 66 Cb -0.11 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 1i12 s VAL 66 CO 0.14 0.34 0.10 -0.63 -0.31 0.00 0.00 175.10 174.74 1i12 s ILE 67 N -0.32 4.70 -0.14 -0.62 1.01 -0.12 -1.90 121.20 123.81 1i12 s ILE 67 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1i12 s ILE 67 Cb -0.06 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1i12 s ILE 67 CO -0.00 0.36 0.09 -0.69 0.00 0.00 0.00 174.94 174.69 1i12 s VAL 68 N 1.23 5.02 -0.26 2.92 1.01 0.18 -0.01 120.40 130.50 1i12 s VAL 68 Ca 0.05 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 1i12 s VAL 68 Cb -0.14 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 1i12 s VAL 68 CO 0.04 0.55 0.85 -0.62 0.00 0.00 0.00 175.10 175.92 1i12 s ASP 69 N -0.43 6.82 0.50 3.32 -1.08 -0.44 -1.62 116.67 123.74 1i12 s ASP 69 Ca 0.10 0.99 0.26 0.00 -0.52 0.00 0.00 52.55 53.39 1i12 s ASP 69 Cb -0.12 -2.44 1.30 0.00 -1.46 0.00 0.00 42.92 40.20 1i12 s ASP 69 CO 0.02 -0.56 2.00 0.11 0.52 0.00 0.00 175.17 177.26 1i12 h LYS 70 N 7.76 0.00 0.00 4.34 1.57 -1.34 0.63 116.57 129.53 1i12 h LYS 70 Ca -0.23 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1i12 h LYS 70 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1i12 h LYS 70 CO 0.89 0.15 -0.25 0.00 -0.57 0.00 0.00 179.45 179.67 1i12 h ARG 71 N 0.00 0.00 0.00 3.15 3.08 -1.92 -3.32 114.38 115.37 1i12 h ARG 71 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i12 h ARG 71 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1i12 h ARG 71 CO 0.02 0.25 -0.04 0.25 -1.07 0.00 0.00 179.97 179.38 1i12 n THR 72 N -4.22 0.00 -3.38 2.04 -2.24 -1.08 -5.02 114.28 100.38 1i12 n THR 72 Ca -0.02 -0.30 -0.24 0.00 -2.27 0.00 0.00 64.05 61.22 1i12 n THR 72 Cb 0.30 0.96 0.04 0.00 -2.10 0.00 0.00 70.33 69.52 1i12 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i12 n GLU 73 N -0.66 -5.38 -4.43 -0.78 -0.58 0.22 -5.00 120.64 104.03 1i12 n GLU 73 Ca 0.00 0.75 -0.26 0.00 -0.42 0.00 0.00 57.16 57.23 1i12 n GLU 73 Cb 0.00 -5.63 -0.11 0.00 -0.57 0.00 0.00 31.44 25.12 1i12 n GLU 73 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1i12 s THR 74 N -3.18 2.36 0.02 2.62 -4.23 -1.21 -4.91 115.64 107.11 1i12 s THR 74 Ca 0.45 -2.12 -0.30 0.00 -1.18 0.00 0.00 61.69 58.53 1i12 s THR 74 Cb -0.21 -2.16 -0.06 0.00 1.34 0.00 0.00 72.50 71.41 1i12 s THR 74 CO 0.56 -0.19 1.35 -0.69 -0.54 0.00 0.00 174.62 175.11 1i12 s VAL 75 N -1.89 3.73 -0.12 2.29 1.01 -1.26 -1.33 120.40 122.82 1i12 s VAL 75 Ca 0.23 1.16 0.17 0.00 0.00 0.00 0.00 61.98 63.54 1i12 s VAL 75 Cb -0.07 -3.74 -0.25 0.00 0.00 0.00 0.00 36.38 32.31 1i12 s VAL 75 CO 0.11 0.03 0.20 0.00 0.00 0.00 0.00 175.10 175.43 1i12 n ALA 76 N 4.90 1.99 -3.45 5.51 0.00 0.98 -4.91 120.51 125.52 1i12 n ALA 76 Ca 0.12 -0.92 -0.13 0.00 0.00 0.00 0.00 53.44 52.51 1i12 n ALA 76 Cb 0.44 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1i12 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i12 s ALA 77 N -2.77 -1.66 0.01 0.00 0.00 -1.14 -1.03 121.76 115.16 1i12 s ALA 77 Ca -0.08 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 1i12 s ALA 77 Cb 0.08 0.61 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 1i12 s ALA 77 CO 0.76 -0.66 0.13 -0.08 0.00 0.00 0.00 175.76 175.92 1i12 s THR 78 N -3.02 0.09 0.17 0.00 -1.32 -0.08 -0.94 115.64 110.54 1i12 s THR 78 Ca -0.02 -0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 59.48 1i12 s THR 78 Cb -0.01 -0.51 0.06 0.00 -1.51 0.00 0.00 72.50 70.54 1i12 s THR 78 CO -0.07 -0.41 0.65 -0.83 -2.21 0.00 0.00 174.62 171.75 1i12 s GLY 79 N -1.51 -0.52 0.04 6.08 0.00 -0.84 -1.19 107.32 109.38 1i12 s GLY 79 Ca -0.13 0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.99 1i12 s GLY 79 CO 0.01 0.13 -0.05 0.21 0.00 0.00 0.00 173.10 173.40 1i12 s ASN 80 N -2.76 0.57 -0.07 1.64 3.84 -0.34 -0.92 114.94 116.90 1i12 s ASN 80 Ca 0.03 -0.63 0.01 0.00 0.21 0.00 0.00 52.86 52.47 1i12 s ASN 80 Cb -0.02 0.09 0.02 0.00 -0.55 0.00 0.00 41.25 40.79 1i12 s ASN 80 CO -0.09 -0.33 -0.07 -0.51 -2.79 0.00 0.00 177.10 173.31 1i12 s ILE 81 N -1.98 0.82 -0.12 -5.21 2.07 -1.19 -1.07 121.20 114.52 1i12 s ILE 81 Ca -0.08 -0.24 -0.05 0.00 -1.41 0.00 0.00 60.65 58.87 1i12 s ILE 81 Cb -0.06 -0.83 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 1i12 s ILE 81 CO -0.02 0.31 0.06 -0.63 -1.91 0.00 0.00 174.94 172.75 1i12 s ILE 82 N 1.20 4.82 -0.16 2.00 1.09 0.29 -2.29 121.20 128.16 1i12 s ILE 82 Ca -0.06 -0.05 -0.03 0.00 -1.10 0.00 0.00 60.65 59.42 1i12 s ILE 82 Cb -0.14 -3.09 -0.02 0.00 -1.06 0.00 0.00 42.46 38.15 1i12 s ILE 82 CO -0.02 0.57 -0.05 -0.63 -0.10 0.00 0.00 174.94 174.71 1i12 s ILE 83 N -0.61 3.67 -0.05 2.92 -1.09 0.04 -0.53 121.20 125.55 1i12 s ILE 83 Ca 0.11 -0.43 0.06 0.00 -2.23 0.00 0.00 60.65 58.16 1i12 s ILE 83 Cb -0.12 -2.61 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 1i12 s ILE 83 CO 0.02 0.48 -0.24 -0.70 -1.23 0.00 0.00 174.94 173.27 1i12 s GLU 84 N 0.58 2.48 -0.21 2.79 2.12 -0.51 -4.76 118.70 121.18 1i12 s GLU 84 Ca -0.04 -0.89 -0.11 0.00 0.36 0.00 0.00 54.97 54.30 1i12 s GLU 84 Cb -0.15 -2.16 -0.05 0.00 0.26 0.00 0.00 34.13 32.03 1i12 s GLU 84 CO 0.03 0.43 0.16 0.50 -0.54 0.00 0.00 175.26 175.84 1i12 s ARG 85 N -0.28 4.15 0.53 4.30 6.06 -1.26 -1.12 118.95 131.33 1i12 s ARG 85 Ca -0.00 -0.20 0.05 0.00 -2.50 0.00 0.00 55.73 53.08 1i12 s ARG 85 Cb -0.13 -3.47 0.03 0.00 0.06 0.00 0.00 34.95 31.45 1i12 s ARG 85 CO 0.03 0.20 0.38 0.15 -2.50 0.00 0.00 175.30 173.56 1i12 s LYS 86 N 0.66 2.26 -0.18 5.12 1.02 0.17 -5.01 119.74 123.77 1i12 s LYS 86 Ca 0.09 -2.00 -0.09 0.00 0.02 0.00 0.00 55.97 53.98 1i12 s LYS 86 Cb -0.12 -2.09 -0.21 0.00 -0.52 0.00 0.00 37.83 34.88 1i12 s LYS 86 CO 0.01 -0.58 0.15 -0.89 -0.92 0.00 0.00 175.35 173.12 1i12 n ILE 87 N -1.72 1.65 -0.80 2.17 5.41 -1.26 -3.67 119.36 121.13 1i12 n ILE 87 Ca -0.02 -0.47 -0.32 0.00 1.00 0.00 0.00 62.75 62.94 1i12 n ILE 87 Cb 0.64 -1.76 0.15 0.00 -0.71 0.00 0.00 39.64 37.97 1i12 n ILE 87 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1i12 n ILE 88 N -3.73 0.51 -3.55 1.39 -5.35 -1.26 -1.04 119.36 106.33 1i12 n ILE 88 Ca -0.37 -0.08 -0.22 0.00 -0.27 0.00 0.00 62.75 61.81 1i12 n ILE 88 Cb 0.94 -0.98 0.08 0.00 -1.74 0.00 0.00 39.64 37.94 1i12 n ILE 88 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1i12 n HIS 89 N -3.90 -2.62 -3.60 4.28 -0.00 -1.26 -1.44 115.22 106.68 1i12 n HIS 89 Ca 0.12 0.99 -0.25 0.00 -0.00 0.00 0.00 57.72 58.57 1i12 n HIS 89 Cb 0.52 -5.03 0.04 0.00 -0.00 0.00 0.00 29.99 25.52 1i12 n HIS 89 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1i12 n GLU 90 N -4.68 -2.32 -3.54 1.57 1.02 -1.23 -2.19 120.64 109.26 1i12 n GLU 90 Ca -0.10 0.58 -0.20 0.00 -0.02 0.00 0.00 57.16 57.42 1i12 n GLU 90 Cb 0.60 -4.75 0.07 0.00 -0.02 0.00 0.00 31.44 27.35 1i12 n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1i12 n LEU 91 N -4.00 -3.65 -4.76 -4.62 4.77 -0.21 -4.96 117.00 99.57 1i12 n LEU 91 Ca -0.14 -0.67 -0.31 0.00 -0.03 0.00 0.00 56.01 54.86 1i12 n LEU 91 Cb 0.62 -2.97 0.10 0.00 -2.33 0.00 0.00 43.42 38.84 1i12 n LEU 91 CO 0.66 0.43 0.70 -0.83 -1.33 0.00 0.00 177.39 177.01 1i12 s GLY 92 N -4.19 1.67 -0.16 -0.72 0.00 -0.52 -4.63 107.32 98.78 1i12 s GLY 92 Ca 0.10 0.27 -0.06 0.00 0.00 0.00 0.00 44.72 45.03 1i12 s GLY 92 CO 0.76 0.63 0.05 1.08 0.00 0.00 0.00 173.10 175.61 1i12 s LEU 93 N -6.00 3.75 -0.08 0.66 1.43 -1.26 -0.66 118.68 116.52 1i12 s LEU 93 Ca 0.62 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 1i12 s LEU 93 Cb -0.18 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1i12 s LEU 93 CO 0.56 0.22 -0.20 0.00 0.23 0.00 0.00 176.35 177.17 1i12 s GLY 95 N 0.38 2.29 -0.21 0.00 0.00 -0.71 -1.43 107.32 107.64 1i12 s GLY 95 Ca -0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 1i12 s GLY 95 CO 0.07 -0.28 -0.02 0.30 0.00 0.00 0.00 173.10 173.16 1i12 s HIS 96 N -1.51 1.80 0.03 1.90 3.76 0.31 -1.16 115.29 120.42 1i12 s HIS 96 Ca 0.36 -1.35 -0.25 0.00 -0.15 0.00 0.00 55.06 53.67 1i12 s HIS 96 Cb -0.13 -1.34 -0.05 0.00 1.11 0.00 0.00 32.58 32.17 1i12 s HIS 96 CO 0.20 -0.70 0.76 0.42 -0.85 0.00 0.00 174.74 174.58 1i12 s ILE 97 N 1.60 4.76 0.05 0.60 1.01 -0.21 -0.54 121.20 128.47 1i12 s ILE 97 Ca -0.04 1.62 -0.06 0.00 0.00 0.00 0.00 60.65 62.17 1i12 s ILE 97 Cb -0.18 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1i12 s ILE 97 CO -0.07 0.35 0.11 -1.61 0.00 0.00 0.00 174.94 173.73 1i12 s GLU 98 N 0.04 0.67 -1.25 2.79 0.41 -0.23 -4.54 118.70 116.59 1i12 s GLU 98 Ca 0.39 -0.85 -0.01 0.00 -0.41 0.00 0.00 54.97 54.08 1i12 s GLU 98 Cb -0.20 0.26 -0.00 0.00 -1.78 0.00 0.00 34.13 32.41 1i12 s GLU 98 CO 0.23 -0.18 0.81 -0.25 -0.49 0.00 0.00 175.26 175.38 1i12 n ASP 99 N 0.46 -1.84 -4.65 -0.19 8.00 -1.26 -1.20 116.55 115.87 1i12 n ASP 99 Ca -0.17 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.15 1i12 n ASP 99 Cb 0.60 -4.45 -0.03 0.00 -0.02 0.00 0.00 41.12 37.22 1i12 n ASP 99 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i12 s ILE 100 N -3.55 4.79 -0.10 0.53 -1.09 -1.26 -3.96 121.20 116.55 1i12 s ILE 100 Ca 0.04 1.73 -0.04 0.00 -2.23 0.00 0.00 60.65 60.14 1i12 s ILE 100 Cb -0.01 -4.18 0.05 0.00 -1.58 0.00 0.00 42.46 36.74 1i12 s ILE 100 CO 0.78 -0.10 0.22 0.00 -1.23 0.00 0.00 174.94 174.61 1i12 s ALA 101 N 2.90 -0.44 -0.14 9.38 0.00 -0.33 -4.91 121.76 128.21 1i12 s ALA 101 Ca 0.38 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1i12 s ALA 101 Cb -0.15 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1i12 s ALA 101 CO 0.07 -0.39 -0.12 0.08 0.00 0.00 0.00 175.76 175.40 1i12 s VAL 102 N 1.79 3.04 0.47 0.00 1.01 -1.26 -0.90 120.40 124.54 1i12 s VAL 102 Ca -0.04 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 1i12 s VAL 102 Cb -0.11 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 1i12 s VAL 102 CO -0.08 0.51 1.01 0.59 0.00 0.00 0.00 175.10 177.14 1i12 n ASN 103 N 3.75 1.21 -0.25 3.32 3.02 -0.20 -4.76 115.26 121.34 1i12 n ASN 103 Ca -0.18 0.98 0.04 0.00 -0.03 0.00 0.00 54.58 55.39 1i12 n ASN 103 Cb 0.52 -1.37 0.17 0.00 -0.61 0.00 0.00 39.78 38.49 1i12 n ASN 103 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1i12 h SER 104 N 1.30 0.32 0.62 6.41 4.64 -1.94 0.39 113.55 125.28 1i12 h SER 104 Ca -0.46 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1i12 h SER 104 Cb 1.34 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1i12 h SER 104 CO 0.55 0.14 0.00 0.29 -0.87 0.00 0.00 176.83 176.94 1i12 n LYS 105 N -4.97 0.20 -0.09 4.77 4.76 -1.26 -2.46 118.16 119.10 1i12 n LYS 105 Ca 0.13 0.47 0.09 0.00 -2.87 0.00 0.00 58.31 56.14 1i12 n LYS 105 Cb 0.38 -1.91 0.14 0.00 -1.84 0.00 0.00 35.03 31.80 1i12 n LYS 105 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1i12 n TYR 106 N -2.28 0.25 -2.08 2.13 4.01 0.10 -5.01 117.16 114.27 1i12 n TYR 106 Ca 0.01 -0.16 -0.32 0.00 -0.16 0.00 0.00 57.90 57.27 1i12 n TYR 106 Cb 0.20 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1i12 n TYR 106 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1i12 s GLN 107 N -1.39 3.47 -0.40 -0.72 -0.21 -1.03 -4.14 119.66 115.25 1i12 s GLN 107 Ca 0.27 1.07 0.00 0.00 0.02 0.00 0.00 55.36 56.73 1i12 s GLN 107 Cb 0.17 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 32.12 1i12 s GLN 107 CO 0.25 -0.68 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 1i12 n GLY 108 N -1.39 0.67 0.14 3.09 0.00 -1.26 -4.90 105.19 101.54 1i12 n GLY 108 Ca 0.08 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.45 1i12 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i12 n GLN 109 N -2.71 1.19 -0.47 1.61 10.64 -1.26 -5.00 117.38 121.38 1i12 n GLN 109 Ca -0.04 -1.62 0.00 0.00 -1.83 0.00 0.00 57.00 53.52 1i12 n GLN 109 Cb 0.14 -0.98 0.00 0.00 -0.86 0.00 0.00 30.24 28.54 1i12 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1i12 n GLY 110 N -0.64 0.75 0.22 2.61 0.00 -1.26 -4.96 105.19 101.90 1i12 n GLY 110 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1i12 n GLY 110 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i12 h LEU 111 N 0.00 0.80 -0.65 0.99 5.85 -1.95 -2.13 115.31 118.22 1i12 h LEU 111 Ca 0.00 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1i12 h LEU 111 Cb 0.00 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1i12 h LEU 111 CO 0.00 1.25 0.38 1.23 -0.34 0.00 0.00 178.44 180.96 1i12 h GLY 112 N 0.84 0.95 1.01 3.75 0.00 -1.93 -1.03 103.07 106.66 1i12 h GLY 112 Ca -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1i12 h GLY 112 CO 0.13 0.39 0.42 1.70 0.00 0.00 0.00 176.54 179.19 1i12 h LYS 113 N 0.89 1.02 -0.86 4.80 3.64 -1.94 -0.85 116.57 123.26 1i12 h LYS 113 Ca 0.23 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1i12 h LYS 113 Cb -0.00 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.57 1i12 h LYS 113 CO -0.04 0.75 0.41 -0.07 -2.27 0.00 0.00 179.45 178.23 1i12 h LEU 114 N 1.02 1.12 -0.16 5.20 3.38 -0.93 -1.45 115.31 123.50 1i12 h LEU 114 Ca 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1i12 h LEU 114 Cb 0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1i12 h LEU 114 CO -0.05 0.94 0.01 0.25 0.09 0.00 0.00 178.44 179.69 1i12 h LEU 115 N 1.22 0.27 -0.84 1.67 5.85 -0.67 -2.26 115.31 120.54 1i12 h LEU 115 Ca 0.29 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1i12 h LEU 115 Cb 0.12 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1i12 h LEU 115 CO -0.04 0.49 0.45 0.40 -0.34 0.00 0.00 178.44 179.41 1i12 h ILE 116 N 0.03 1.25 -0.73 4.05 1.08 -1.09 -1.09 117.51 121.01 1i12 h ILE 116 Ca 0.05 -0.64 -0.03 0.00 -0.39 0.00 0.00 64.86 63.85 1i12 h ILE 116 Cb 0.35 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.20 1i12 h ILE 116 CO 0.01 0.28 0.35 0.44 -0.69 0.00 0.00 178.15 178.54 1i12 h ASP 117 N 1.18 0.94 -0.60 1.72 3.32 -1.16 -0.65 116.42 121.18 1i12 h ASP 117 Ca 0.29 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1i12 h ASP 117 Cb 0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1i12 h ASP 117 CO -0.05 0.80 0.01 1.56 -1.72 0.00 0.00 179.24 179.84 1i12 h GLN 118 N 1.03 1.06 -0.52 3.56 1.08 -0.79 -1.57 115.11 118.95 1i12 h GLN 118 Ca 0.25 -0.33 -0.11 0.00 -1.45 0.00 0.00 58.65 57.01 1i12 h GLN 118 Cb 0.11 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1i12 h GLN 118 CO -0.03 1.03 -0.09 -0.07 -0.95 0.00 0.00 178.83 178.72 1i12 h LEU 119 N 0.95 0.99 -0.62 1.46 3.38 -0.83 -1.61 115.31 119.04 1i12 h LEU 119 Ca 0.17 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1i12 h LEU 119 Cb 0.55 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1i12 h LEU 119 CO 0.03 1.10 0.36 0.58 0.09 0.00 0.00 178.44 180.60 1i12 h VAL 120 N 0.85 1.18 -0.66 1.22 2.07 -1.02 -1.46 116.25 118.43 1i12 h VAL 120 Ca 0.14 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1i12 h VAL 120 Cb 0.65 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1i12 h VAL 120 CO 0.04 0.19 0.32 0.74 0.02 0.00 0.00 177.57 178.88 1i12 h THR 121 N 0.83 1.22 -0.36 2.57 2.02 -1.07 -0.29 112.91 117.84 1i12 h THR 121 Ca 0.22 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1i12 h THR 121 Cb -0.01 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1i12 h THR 121 CO -0.04 0.26 0.16 0.40 0.37 0.00 0.00 175.52 176.67 1i12 h ILE 122 N 0.91 0.95 -0.19 3.11 2.04 -0.93 0.11 117.51 123.51 1i12 h ILE 122 Ca 0.23 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 1i12 h ILE 122 Cb 0.12 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1i12 h ILE 122 CO -0.03 0.06 0.05 1.23 0.00 0.00 0.00 178.15 179.46 1i12 h GLY 123 N 0.33 0.32 1.92 5.37 0.00 -0.96 -2.66 103.07 107.39 1i12 h GLY 123 Ca 0.16 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 1i12 h GLY 123 CO -0.13 0.18 -0.41 0.74 0.00 0.00 0.00 176.54 176.93 1i12 h PHE 124 N 0.12 0.11 0.00 5.60 0.04 -0.95 -2.14 116.94 119.72 1i12 h PHE 124 Ca 0.06 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 1i12 h PHE 124 Cb 0.25 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1i12 h PHE 124 CO 0.01 0.49 -0.23 -0.44 -0.60 0.00 0.00 178.31 177.54 1i12 h ASP 125 N 0.08 0.00 1.48 2.17 3.32 -0.84 -1.76 116.42 120.87 1i12 h ASP 125 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1i12 h ASP 125 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1i12 h ASP 125 CO 0.06 0.23 0.00 1.88 -1.72 0.00 0.00 179.24 179.68 1i12 h TYR 126 N 0.00 0.00 0.00 4.55 0.05 -1.07 -3.47 116.97 117.03 1i12 h TYR 126 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1i12 h TYR 126 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1i12 h TYR 126 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1i12 n GLY 127 N 0.96 1.21 3.76 3.88 0.00 -0.66 -5.07 105.19 109.27 1i12 n GLY 127 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1i12 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i12 h TYR 129 N 4.08 0.00 -3.23 0.00 -0.00 -1.52 -3.44 116.97 112.86 1i12 h TYR 129 Ca -0.49 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.21 1i12 h TYR 129 Cb 1.23 0.00 -0.12 0.00 0.00 0.00 0.00 36.73 37.84 1i12 h TYR 129 CO 0.56 0.05 0.06 -1.59 -0.00 0.00 0.00 178.16 177.24 1i12 s LYS 130 N -3.22 1.23 -0.04 0.10 -2.85 -1.26 -5.10 119.74 108.61 1i12 s LYS 130 Ca 0.05 -0.67 0.02 0.00 -1.00 0.00 0.00 55.97 54.37 1i12 s LYS 130 Cb 0.06 0.53 0.01 0.00 -2.06 0.00 0.00 37.83 36.37 1i12 s LYS 130 CO 0.70 -0.52 -0.07 0.42 0.10 0.00 0.00 175.35 175.99 1i12 s ILE 131 N -3.80 0.64 0.22 3.79 1.01 -1.26 -1.75 121.20 120.05 1i12 s ILE 131 Ca 0.04 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1i12 s ILE 131 Cb 0.00 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 1i12 s ILE 131 CO -0.10 0.23 -0.11 0.27 0.00 0.00 0.00 174.94 175.24 1i12 s ILE 132 N 0.57 1.61 0.21 2.92 -4.36 -0.31 -4.97 121.20 116.88 1i12 s ILE 132 Ca -0.08 -2.16 -0.18 0.00 -0.26 0.00 0.00 60.65 57.97 1i12 s ILE 132 Cb -0.12 -2.16 0.03 0.00 1.25 0.00 0.00 42.46 41.45 1i12 s ILE 132 CO 0.01 -0.50 0.56 -1.48 0.24 0.00 0.00 174.94 173.76 1i12 s LEU 133 N -3.34 0.01 0.04 0.37 0.05 -1.26 -1.04 118.68 113.50 1i12 s LEU 133 Ca 0.24 -0.53 0.09 0.00 0.05 0.00 0.00 54.13 53.98 1i12 s LEU 133 Cb 0.01 2.23 -0.03 0.00 -2.05 0.00 0.00 46.19 46.35 1i12 s LEU 133 CO 0.08 -1.11 -0.25 -1.81 -0.55 0.00 0.00 176.35 172.71 1i12 s ASP 134 N -2.89 3.27 0.17 1.48 1.01 -1.26 -5.04 116.67 113.40 1i12 s ASP 134 Ca 0.11 -0.55 -0.11 0.00 0.71 0.00 0.00 52.55 52.70 1i12 s ASP 134 Cb -0.02 -0.35 0.00 0.00 1.01 0.00 0.00 42.92 43.56 1i12 s ASP 134 CO -0.00 0.27 0.34 0.00 0.21 0.00 0.00 175.17 175.98 1i12 s ASP 136 N -2.94 6.05 0.47 0.00 2.15 -1.26 -4.91 116.67 116.24 1i12 s ASP 136 Ca 0.14 1.73 0.20 0.00 0.43 0.00 0.00 52.55 55.06 1i12 s ASP 136 Cb 0.02 -2.52 1.20 0.00 -0.30 0.00 0.00 42.92 41.32 1i12 s ASP 136 CO -0.01 -0.98 1.93 -0.08 -0.17 0.00 0.00 175.17 175.86 1i12 h GLU 137 N 0.58 0.24 0.00 4.34 4.57 -2.01 0.53 114.58 122.83 1i12 h GLU 137 Ca -0.47 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1i12 h GLU 137 Cb 1.21 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1i12 h GLU 137 CO 0.59 0.16 0.00 1.57 -1.18 0.00 0.00 179.01 180.15 1i12 h LYS 138 N 0.25 0.00 -0.02 1.92 2.10 -2.06 -2.30 116.57 116.45 1i12 h LYS 138 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 1i12 h LYS 138 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1i12 h LYS 138 CO -0.08 0.00 -0.07 0.09 -2.00 0.00 0.00 179.45 177.39 1i12 n ASN 139 N -2.59 2.21 -0.23 7.07 3.02 0.17 -4.64 115.26 120.27 1i12 n ASN 139 Ca -0.00 -1.61 0.02 0.00 -0.03 0.00 0.00 54.58 52.96 1i12 n ASN 139 Cb 0.17 0.10 0.14 0.00 -0.61 0.00 0.00 39.78 39.58 1i12 n ASN 139 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i12 h VAL 140 N 2.93 0.73 -0.37 2.41 2.07 -1.29 -1.63 116.25 121.10 1i12 h VAL 140 Ca 0.00 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1i12 h VAL 140 Cb 0.66 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1i12 h VAL 140 CO 0.00 0.08 -0.08 0.11 0.02 0.00 0.00 177.57 177.70 1i12 h LYS 141 N 0.45 0.64 0.05 1.57 1.57 -1.82 -0.07 116.57 118.95 1i12 h LYS 141 Ca 0.35 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1i12 h LYS 141 Cb 0.47 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1i12 h LYS 141 CO -0.34 0.71 -0.04 0.35 -0.57 0.00 0.00 179.45 179.56 1i12 h PHE 142 N 0.59 -0.11 0.00 -1.35 3.57 -1.64 -1.03 116.94 116.97 1i12 h PHE 142 Ca 0.11 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1i12 h PHE 142 Cb 0.49 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1i12 h PHE 142 CO 0.02 -0.07 -0.20 1.88 -2.23 0.00 0.00 178.31 177.71 1i12 h TYR 143 N -0.10 0.00 -0.28 0.41 -1.99 -0.68 -1.91 116.97 112.43 1i12 h TYR 143 Ca 0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 1i12 h TYR 143 Cb 0.09 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 1i12 h TYR 143 CO -0.09 0.20 -0.42 0.93 -0.00 0.00 0.00 178.16 178.78 1i12 h GLU 144 N 0.00 0.67 0.00 4.88 5.08 -0.57 -1.52 114.58 123.13 1i12 h GLU 144 Ca -0.00 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1i12 h GLU 144 Cb 0.54 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1i12 h GLU 144 CO 0.03 0.97 -0.11 0.87 -1.00 0.00 0.00 179.01 179.76 1i12 h LYS 145 N 0.55 0.00 -0.12 2.33 1.79 -0.43 -1.38 116.57 119.30 1i12 h LYS 145 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1i12 h LYS 145 Cb 0.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1i12 h LYS 145 CO 0.09 0.11 0.00 0.00 -1.08 0.00 0.00 179.45 178.57 1i12 n GLY 147 N 0.96 0.69 3.91 0.00 0.00 -0.52 -4.94 105.19 105.28 1i12 n GLY 147 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1i12 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i12 s PHE 148 N -2.43 3.53 0.10 1.61 0.40 -0.66 -5.01 117.98 115.52 1i12 s PHE 148 Ca 0.00 0.71 0.03 0.00 -0.60 0.00 0.00 56.93 57.07 1i12 s PHE 148 Cb 0.00 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.29 1i12 s PHE 148 CO 0.00 -0.13 -0.09 -1.54 0.70 0.00 0.00 175.22 174.16 1i12 s SER 149 N -3.94 1.43 0.17 1.36 1.04 -1.26 -4.09 113.70 108.41 1i12 s SER 149 Ca 0.46 -0.88 -0.31 0.00 0.48 0.00 0.00 55.95 55.70 1i12 s SER 149 Cb -0.10 0.02 -0.10 0.00 0.10 0.00 0.00 66.02 65.94 1i12 s SER 149 CO 0.40 -0.31 1.52 0.21 0.98 0.00 0.00 173.24 176.04 1i12 s ASN 150 N -2.66 6.63 0.00 7.02 3.84 -1.26 -4.90 114.94 123.61 1i12 s ASN 150 Ca 0.08 2.58 0.00 0.00 0.21 0.00 0.00 52.86 55.74 1i12 s ASN 150 Cb -0.01 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1i12 s ASN 150 CO -0.01 -0.78 0.08 0.00 -2.79 0.00 0.00 177.10 173.60 1i12 n ALA 151 N 3.72 1.63 0.00 1.71 0.00 -1.26 -5.12 120.51 121.18 1i12 n ALA 151 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1i12 n ALA 151 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1i12 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i12 n GLY 152 N 0.61 -0.50 3.32 0.00 0.00 -1.26 -5.14 105.19 102.22 1i12 n GLY 152 Ca 0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 1i12 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i12 s VAL 153 N -3.13 2.44 -0.10 1.61 1.01 -1.26 -5.11 120.40 115.86 1i12 s VAL 153 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1i12 s VAL 153 Cb 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1i12 s VAL 153 CO 0.00 0.56 0.57 -0.70 0.00 0.00 0.00 175.10 175.53 1i12 s GLU 154 N -0.06 4.37 0.09 2.72 2.12 -1.26 -5.07 118.70 121.61 1i12 s GLU 154 Ca -0.05 0.63 0.09 0.00 0.36 0.00 0.00 54.97 56.00 1i12 s GLU 154 Cb -0.14 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1i12 s GLU 154 CO 0.04 0.10 -0.20 -1.64 -0.54 0.00 0.00 175.26 173.03 1i12 s MET 155 N 0.75 1.80 0.07 4.30 -1.94 -1.26 -5.15 119.30 117.86 1i12 s MET 155 Ca 0.31 -1.15 -0.04 0.00 -1.71 0.00 0.00 55.69 53.09 1i12 s MET 155 Cb -0.16 -2.09 -0.02 0.00 2.01 0.00 0.00 34.83 34.57 1i12 s MET 155 CO 0.13 0.49 0.07 1.14 -0.01 0.00 0.00 175.02 176.84 1i12 s GLN 156 N -1.86 0.71 -0.02 2.03 -2.07 -1.26 -5.15 119.66 112.04 1i12 s GLN 156 Ca 0.16 -1.10 0.01 0.00 -1.82 0.00 0.00 55.36 52.61 1i12 s GLN 156 Cb -0.10 0.27 0.01 0.00 -1.09 0.00 0.00 33.01 32.09 1i12 s GLN 156 CO 0.07 -0.18 -0.05 -1.50 -1.32 0.00 0.00 175.29 172.32 1i12 s ILE 157 N -3.88 0.44 -0.03 3.63 2.07 -1.26 -5.16 121.20 117.01 1i12 s ILE 157 Ca 0.06 -0.18 0.02 0.00 -1.41 0.00 0.00 60.65 59.14 1i12 s ILE 157 Cb 0.07 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 1i12 s ILE 157 CO -0.10 0.15 -0.05 -0.13 -1.91 0.00 0.00 174.94 172.90 1i12 s ARG 158 N 0.23 2.69 0.00 3.50 1.81 -1.26 -5.37 118.95 120.55 1i12 s ARG 158 Ca -0.02 -0.62 0.22 0.00 -1.72 0.00 0.00 55.73 53.59 1i12 s ARG 158 Cb -0.06 -2.58 1.29 0.00 -0.45 0.00 0.00 34.95 33.15 1i12 s ARG 158 CO -0.00 0.64 1.67 1.17 -0.68 0.00 0.00 175.30 178.10