#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 0.39 1.43 0.00 -0.99 -5.01 119.30 115.36 1i12 s MET 1 Ca 0.00 0.86 -0.24 0.00 0.00 0.00 0.00 55.69 56.31 1i12 s MET 1 Cb 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 34.83 34.85 1i12 s MET 1 CO 0.00 -0.25 1.02 -1.12 0.00 0.00 0.00 175.02 174.67 1i12 s SER 2 N 2.35 6.86 0.34 1.11 0.01 -1.26 -0.79 113.70 122.32 1i12 s SER 2 Ca -0.01 1.96 0.08 0.00 1.31 0.00 0.00 55.95 59.29 1i12 s SER 2 Cb -0.12 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 1i12 s SER 2 CO -0.11 -0.42 -0.05 -0.76 0.41 0.00 0.00 173.24 172.31 1i12 s LEU 3 N -2.63 2.68 0.62 2.44 1.43 -0.02 -4.89 118.68 118.32 1i12 s LEU 3 Ca 0.57 -1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 1i12 s LEU 3 Cb -0.20 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 1i12 s LEU 3 CO 0.25 -0.32 1.17 -2.16 0.23 0.00 0.00 176.35 175.53 1i12 s PRO 4 N -3.68 2.85 -1.22 1.29 0.04 -1.26 -3.70 135.00 129.32 1i12 s PRO 4 Ca 0.33 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.01 1i12 s PRO 4 Cb 0.05 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1i12 s PRO 4 CO 0.16 -1.27 0.41 -0.25 0.04 0.00 0.00 177.00 176.09 1i12 n ASP 5 N -1.93 -5.05 -0.12 6.66 8.00 -1.26 -3.90 116.55 118.95 1i12 n ASP 5 Ca 0.12 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1i12 n ASP 5 Cb 0.50 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.67 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 -1.30 0.79 3.32 0.44 0.00 -1.25 -4.99 105.19 102.18 1i12 n GLY 6 Ca -0.10 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.25 1.61 0.15 1.61 0.08 -1.24 -1.03 117.98 116.90 1i12 s PHE 7 Ca 0.00 -0.60 -0.03 0.00 0.12 0.00 0.00 56.93 56.42 1i12 s PHE 7 Cb 0.00 -0.77 -0.03 0.00 -0.57 0.00 0.00 43.02 41.65 1i12 s PHE 7 CO 0.00 0.29 0.13 1.52 -0.10 0.00 0.00 175.22 177.06 1i12 s TYR 8 N -2.89 0.75 0.02 0.36 1.13 -0.55 -0.84 117.35 115.33 1i12 s TYR 8 Ca 0.20 -1.10 0.07 0.00 -1.41 0.00 0.00 57.07 54.83 1i12 s TYR 8 Cb -0.01 -0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 40.48 1i12 s TYR 8 CO 0.05 -0.60 -0.22 -1.50 -2.51 0.00 0.00 175.55 170.78 1i12 s ILE 9 N -4.03 1.73 0.23 -3.49 2.07 0.03 -0.37 121.20 117.37 1i12 s ILE 9 Ca 0.23 -1.12 -0.20 0.00 -1.41 0.00 0.00 60.65 58.16 1i12 s ILE 9 Cb 0.06 -1.48 0.03 0.00 0.13 0.00 0.00 42.46 41.20 1i12 s ILE 9 CO 0.02 0.32 0.62 0.00 -1.91 0.00 0.00 174.94 173.99 1i12 s ARG 10 N -0.94 1.55 0.51 3.50 1.70 -0.67 -2.35 118.95 122.25 1i12 s ARG 10 Ca 0.08 -0.88 -0.21 0.00 -0.47 0.00 0.00 55.73 54.25 1i12 s ARG 10 Cb -0.09 0.57 -0.06 0.00 -0.57 0.00 0.00 34.95 34.80 1i12 s ARG 10 CO 0.01 -0.69 1.19 1.03 -1.08 0.00 0.00 175.30 175.76 1i12 s ARG 11 N -3.88 3.48 0.43 3.89 0.52 -1.26 -1.04 118.95 121.08 1i12 s ARG 11 Ca 0.10 1.81 -0.26 0.00 -0.52 0.00 0.00 55.73 56.86 1i12 s ARG 11 Cb -0.03 -2.24 -0.09 0.00 0.52 0.00 0.00 34.95 33.12 1i12 s ARG 11 CO 0.01 -0.79 1.38 1.41 0.02 0.00 0.00 175.30 177.32 1i12 s MET 12 N -2.93 3.82 0.29 3.54 -2.45 0.55 -4.75 119.30 117.37 1i12 s MET 12 Ca 0.68 2.31 0.08 0.00 -1.25 0.00 0.00 55.69 57.52 1i12 s MET 12 Cb -0.29 -2.71 -0.06 0.00 1.25 0.00 0.00 34.83 33.01 1i12 s MET 12 CO 0.35 -0.67 -0.10 -1.21 1.05 0.00 0.00 175.02 174.44 1i12 s GLU 13 N -2.34 1.64 0.38 4.11 2.02 -1.26 -5.02 118.70 118.22 1i12 s GLU 13 Ca 0.59 -1.82 0.10 0.00 0.02 0.00 0.00 54.97 53.86 1i12 s GLU 13 Cb -0.41 -1.42 0.86 0.00 0.10 0.00 0.00 34.13 33.26 1i12 s GLU 13 CO 0.53 0.13 1.93 1.05 0.02 0.00 0.00 175.26 178.92 1i12 h GLU 14 N 2.22 0.61 0.00 1.61 9.09 -1.95 -1.46 114.58 124.69 1i12 h GLU 14 Ca -0.40 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1i12 h GLU 14 Cb 1.24 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 28.20 1i12 h GLU 14 CO 0.67 0.40 0.00 0.41 0.05 0.00 0.00 179.01 180.54 1i12 n GLY 15 N -1.47 -0.75 0.61 1.06 0.00 -1.26 -3.40 105.19 99.98 1i12 n GLY 15 Ca 0.13 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.90 1.88 -0.19 1.61 8.00 -0.55 -4.60 116.55 121.80 1i12 n ASP 16 Ca 0.14 -1.64 -0.08 0.00 0.71 0.00 0.00 54.79 53.93 1i12 n ASP 16 Cb 0.07 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 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 2.90 -1.37 -0.28 0.64 5.85 -1.75 0.14 115.31 121.43 1i12 h LEU 17 Ca 0.00 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1i12 h LEU 17 Cb 0.62 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1i12 h LEU 17 CO 0.00 -0.33 0.15 -0.33 -0.34 0.00 0.00 178.44 177.59 1i12 h GLU 18 N -0.22 0.40 -0.34 1.25 5.08 -1.92 -0.42 114.58 118.41 1i12 h GLU 18 Ca 0.19 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1i12 h GLU 18 Cb 0.56 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1i12 h GLU 18 CO -0.66 0.36 -0.27 1.96 -1.00 0.00 0.00 179.01 179.40 1i12 h GLN 19 N 0.33 0.69 -0.39 2.33 4.20 -1.79 -1.81 115.11 118.68 1i12 h GLN 19 Ca 0.10 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.41 1i12 h GLN 19 Cb 0.08 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1i12 h GLN 19 CO -0.01 0.89 -0.18 0.28 -0.67 0.00 0.00 178.83 179.13 1i12 h VAL 20 N 0.60 1.28 -0.65 -0.54 2.07 -0.62 -2.14 116.25 116.24 1i12 h VAL 20 Ca 0.08 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.34 1i12 h VAL 20 Cb 0.76 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1i12 h VAL 20 CO 0.06 0.44 0.36 0.74 0.02 0.00 0.00 177.57 179.19 1i12 h THR 21 N 0.63 0.98 -0.58 2.57 2.02 -0.87 0.68 112.91 118.34 1i12 h THR 21 Ca 0.09 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1i12 h THR 21 Cb 0.73 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1i12 h THR 21 CO 0.06 0.12 0.34 -0.08 0.37 0.00 0.00 175.52 176.33 1i12 h GLU 22 N 0.68 0.80 -0.32 6.66 4.57 -1.18 -2.54 114.58 123.24 1i12 h GLU 22 Ca 0.28 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 1i12 h GLU 22 Cb 0.15 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1i12 h GLU 22 CO -0.17 0.59 -0.11 1.15 -1.18 0.00 0.00 179.01 179.29 1i12 h THR 23 N 0.78 1.29 0.00 0.32 2.02 -0.94 -3.07 112.91 113.31 1i12 h THR 23 Ca 0.21 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1i12 h THR 23 Cb 0.01 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1i12 h THR 23 CO -0.04 0.39 0.00 -0.07 0.37 0.00 0.00 175.52 176.17 1i12 h LEU 24 N 0.42 0.00 -1.62 2.58 3.38 -0.64 -3.05 115.31 116.38 1i12 h LEU 24 Ca 0.08 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.19 1i12 h LEU 24 Cb 0.63 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1i12 h LEU 24 CO 0.04 0.00 0.49 0.11 0.09 0.00 0.00 178.44 179.17 1i12 h LYS 25 N 0.00 0.37 0.00 1.13 1.57 -1.36 -0.02 116.57 118.26 1i12 h LYS 25 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i12 h LYS 25 Cb 0.19 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1i12 h LYS 25 CO 0.00 0.25 0.00 -0.39 -0.57 0.00 0.00 179.45 178.74 1i12 h VAL 26 N 0.39 0.00 0.00 0.50 -1.51 -1.75 -3.32 116.25 110.55 1i12 h VAL 26 Ca 0.35 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 1i12 h VAL 26 Cb 0.83 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1i12 h VAL 26 CO -0.11 0.00 -0.70 -0.11 -1.23 0.00 0.00 177.57 175.43 1i12 n LEU 27 N -2.67 1.48 -3.72 4.19 7.94 -0.08 -5.07 117.00 119.08 1i12 n LEU 27 Ca 0.01 0.31 -0.10 0.00 -1.11 0.00 0.00 56.01 55.12 1i12 n LEU 27 Cb 0.24 -0.71 -0.06 0.00 0.53 0.00 0.00 43.42 43.42 1i12 n LEU 27 CO 0.22 -0.35 0.06 -0.89 -1.11 0.00 0.00 177.39 175.32 1i12 s THR 28 N -2.38 0.09 0.23 1.96 2.01 -0.87 -5.14 115.64 111.54 1i12 s THR 28 Ca -0.20 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.75 1i12 s THR 28 Cb 0.03 -1.14 -0.10 0.00 0.01 0.00 0.00 72.50 71.30 1i12 s THR 28 CO 0.30 -0.41 1.41 -0.89 -0.69 0.00 0.00 174.62 174.34 1i12 s THR 29 N -3.43 2.81 -0.22 -0.82 2.01 -1.26 -4.14 115.64 110.58 1i12 s THR 29 Ca 0.01 0.67 -0.09 0.00 0.31 0.00 0.00 61.69 62.59 1i12 s THR 29 Cb 0.02 -3.43 -0.18 0.00 0.01 0.00 0.00 72.50 68.92 1i12 s THR 29 CO -0.09 0.10 -0.05 0.52 -0.69 0.00 0.00 174.62 174.41 1i12 n VAL 30 N 2.54 1.58 -2.23 3.82 0.31 -1.26 -5.07 118.33 118.01 1i12 n VAL 30 Ca 0.07 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1i12 n VAL 30 Cb 0.41 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 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 1.75 -2.23 3.65 2.92 0.00 -1.26 -4.83 105.19 105.19 1i12 n GLY 31 Ca -0.43 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1i12 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i12 s THR 32 N -0.32 4.52 -0.14 2.61 2.01 -1.26 -5.02 115.64 118.05 1i12 s THR 32 Ca 0.00 1.79 0.01 0.00 0.31 0.00 0.00 61.69 63.81 1i12 s THR 32 Cb 0.00 -4.33 0.02 0.00 0.01 0.00 0.00 72.50 68.20 1i12 s THR 32 CO 0.00 -0.35 -0.18 -0.63 -0.69 0.00 0.00 174.62 172.77 1i12 s ILE 33 N 3.54 1.79 0.29 1.82 1.01 -1.26 -5.12 121.20 123.27 1i12 s ILE 33 Ca 0.46 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 1i12 s ILE 33 Cb -0.14 -1.62 -0.10 0.00 0.01 0.00 0.00 42.46 40.61 1i12 s ILE 33 CO 0.13 0.50 1.21 0.42 0.00 0.00 0.00 174.94 177.20 1i12 s THR 34 N 1.11 3.13 0.33 2.92 -4.23 -1.26 -4.90 115.64 112.73 1i12 s THR 34 Ca -0.02 1.10 0.08 0.00 -1.18 0.00 0.00 61.69 61.67 1i12 s THR 34 Cb -0.14 -3.70 0.32 0.00 1.34 0.00 0.00 72.50 70.31 1i12 s THR 34 CO -0.06 0.25 1.82 -0.65 -0.54 0.00 0.00 174.62 175.44 1i12 h PRO 35 N 3.85 0.72 -0.30 3.99 0.11 -1.99 -0.95 132.00 137.43 1i12 h PRO 35 Ca -0.47 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 1i12 h PRO 35 Cb 1.22 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1i12 h PRO 35 CO 0.68 0.47 -0.32 1.05 -0.21 0.00 0.00 178.00 179.67 1i12 h GLU 36 N 0.74 0.64 -0.37 1.05 -0.00 -1.99 -0.90 114.58 113.75 1i12 h GLU 36 Ca 0.52 -0.29 -0.09 0.00 -0.00 0.00 0.00 59.36 59.50 1i12 h GLU 36 Cb 0.83 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.56 1i12 h GLU 36 CO -0.29 0.88 -0.11 0.77 -0.00 0.00 0.00 179.01 180.27 1i12 h SER 37 N 0.55 0.73 -0.65 3.06 0.02 -1.63 -2.21 113.55 113.42 1i12 h SER 37 Ca 0.06 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 1i12 h SER 37 Cb 0.82 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1i12 h SER 37 CO 0.07 0.94 0.24 0.15 -1.14 0.00 0.00 176.83 177.09 1i12 h PHE 38 N 0.51 1.03 -0.91 3.45 3.57 -1.04 -0.09 116.94 123.46 1i12 h PHE 38 Ca 0.09 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1i12 h PHE 38 Cb 0.63 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1i12 h PHE 38 CO 0.05 0.80 0.57 0.00 -2.23 0.00 0.00 178.31 177.51 1i12 h LYS 40 N 1.25 0.55 -0.25 0.00 1.57 -0.70 -1.81 116.57 117.18 1i12 h LYS 40 Ca 0.33 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1i12 h LYS 40 Cb -0.09 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1i12 h LYS 40 CO -0.07 0.84 0.00 1.25 -0.57 0.00 0.00 179.45 180.91 1i12 h LEU 41 N 0.45 0.43 -1.10 2.94 5.85 -0.29 -1.59 115.31 122.00 1i12 h LEU 41 Ca 0.04 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1i12 h LEU 41 Cb 0.87 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1i12 h LEU 41 CO 0.07 0.63 0.53 0.40 -0.34 0.00 0.00 178.44 179.73 1i12 h ILE 42 N 0.22 1.23 -0.45 4.05 1.08 -0.96 0.10 117.51 122.79 1i12 h ILE 42 Ca 0.07 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 1i12 h ILE 42 Cb 0.40 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 1i12 h ILE 42 CO 0.01 0.24 0.22 0.50 -0.69 0.00 0.00 178.15 178.43 1i12 h LYS 43 N 1.17 0.64 -0.29 2.37 3.64 -1.20 0.34 116.57 123.25 1i12 h LYS 43 Ca 0.31 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1i12 h LYS 43 Cb -0.08 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1i12 h LYS 43 CO -0.06 0.54 0.14 -0.92 -2.27 0.00 0.00 179.45 176.88 1i12 h TYR 44 N 0.58 0.43 0.00 1.91 3.20 -0.51 -2.06 116.97 120.51 1i12 h TYR 44 Ca 0.16 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1i12 h TYR 44 Cb 0.10 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 1i12 h TYR 44 CO -0.01 0.39 -0.13 -1.49 -1.64 0.00 0.00 178.16 175.28 1i12 h TRP 45 N 0.34 0.00 -0.02 -3.82 6.55 -0.54 -1.35 115.95 117.11 1i12 h TRP 45 Ca 0.10 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.94 1i12 h TRP 45 Cb 0.13 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.43 1i12 h TRP 45 CO -0.02 0.13 -0.00 0.09 -1.05 0.00 0.00 178.44 177.59 1i12 n ASN 46 N -3.62 1.79 -0.01 -3.49 5.03 0.09 -4.34 115.26 110.72 1i12 n ASN 46 Ca -0.02 -1.60 -0.01 0.00 0.87 0.00 0.00 54.58 53.83 1i12 n ASN 46 Cb 0.26 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.01 1i12 n ASN 46 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1i12 n GLU 47 N 0.40 3.79 -1.79 3.52 1.02 -0.81 -5.02 120.64 121.76 1i12 n GLU 47 Ca 0.18 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 1i12 n GLU 47 Cb 0.40 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.77 1i12 n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i12 s ALA 48 N -2.03 3.62 0.22 0.62 0.00 -0.57 -4.98 121.76 118.64 1i12 s ALA 48 Ca -0.01 1.22 0.11 0.00 0.00 0.00 0.00 51.96 53.29 1i12 s ALA 48 Cb 0.00 -3.80 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 1i12 s ALA 48 CO 0.04 -1.45 -0.21 0.95 0.00 0.00 0.00 175.76 175.09 1i12 s THR 49 N 4.01 2.29 -0.13 0.00 -4.23 -1.26 -1.78 115.64 114.54 1i12 s THR 49 Ca 0.82 -2.15 -0.12 0.00 -1.18 0.00 0.00 61.69 59.06 1i12 s THR 49 Cb -0.40 -2.14 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 1i12 s THR 49 CO 0.37 -0.26 0.26 -0.69 -0.54 0.00 0.00 174.62 173.76 1i12 s VAL 50 N -2.06 5.31 0.06 2.29 1.01 -0.17 -4.74 120.40 122.11 1i12 s VAL 50 Ca 0.23 0.49 -0.36 0.00 0.00 0.00 0.00 61.98 62.35 1i12 s VAL 50 Cb -0.06 -3.58 -0.15 0.00 0.00 0.00 0.00 36.38 32.58 1i12 s VAL 50 CO 0.11 0.47 1.53 1.87 0.00 0.00 0.00 175.10 179.08 1i12 n TRP 51 N 2.97 1.95 0.00 5.22 -0.00 -1.26 -4.55 117.44 121.77 1i12 n TRP 51 Ca -0.14 0.41 0.00 0.00 -0.00 0.00 0.00 57.50 57.77 1i12 n TRP 51 Cb 0.53 -2.46 0.00 0.00 -0.00 0.00 0.00 31.31 29.37 1i12 n TRP 51 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1i12 n ASN 52 N 3.57 0.00 -4.73 5.87 5.15 -1.26 -5.01 115.26 118.85 1i12 n ASN 52 Ca 0.19 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.80 1i12 n ASN 52 Cb 0.23 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.42 1i12 n ASN 52 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1i12 s LYS 58 N 1.65 4.25 -0.25 1.20 -0.14 -1.26 -5.31 119.74 119.88 1i12 s LYS 58 Ca 0.00 0.13 -0.03 0.00 -1.36 0.00 0.00 55.97 54.72 1i12 s LYS 58 Cb 0.00 -3.42 0.02 0.00 -1.68 0.00 0.00 37.83 32.75 1i12 s LYS 58 CO 0.00 0.25 -0.05 0.42 -0.76 0.00 0.00 175.35 175.21 1i12 s ILE 59 N 0.43 3.08 0.02 2.17 1.01 -1.26 -5.06 121.20 121.59 1i12 s ILE 59 Ca 0.17 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 1i12 s ILE 59 Cb -0.13 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1i12 s ILE 59 CO 0.05 0.24 1.03 -0.04 0.00 0.00 0.00 174.94 176.22 1i12 s MET 60 N 1.38 4.54 0.20 2.79 -1.94 -1.26 -0.99 119.30 124.00 1i12 s MET 60 Ca 0.02 1.50 -0.09 0.00 -1.71 0.00 0.00 55.69 55.41 1i12 s MET 60 Cb -0.16 -3.43 0.12 0.00 2.01 0.00 0.00 34.83 33.37 1i12 s MET 60 CO -0.04 -0.08 1.74 0.37 -0.01 0.00 0.00 175.02 177.00 1i12 h GLN 61 N 6.73 1.09 -5.92 2.03 4.15 -1.64 -3.41 115.11 118.14 1i12 h GLN 61 Ca -0.41 -0.22 -0.67 0.00 0.77 0.00 0.00 58.65 58.11 1i12 h GLN 61 Cb 1.22 -0.17 -0.18 0.00 0.21 0.00 0.00 27.48 28.57 1i12 h GLN 61 CO 0.76 0.92 -0.66 0.71 -1.93 0.00 0.00 178.83 178.64 1i12 s TYR 62 N -5.47 3.05 -0.45 3.99 1.51 -1.26 -0.70 117.35 118.03 1i12 s TYR 62 Ca -0.12 0.05 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 1i12 s TYR 62 Cb 0.15 -1.79 0.24 0.00 -0.11 0.00 0.00 41.96 40.45 1i12 s TYR 62 CO 0.83 0.33 0.55 0.09 -1.11 0.00 0.00 175.55 176.25 1i12 n ASN 63 N 2.41 0.90 -4.62 2.29 3.02 -0.90 -4.90 115.26 113.47 1i12 n ASN 63 Ca -0.18 -2.83 -0.43 0.00 -0.03 0.00 0.00 54.58 51.11 1i12 n ASN 63 Cb 0.53 -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 -1.36 3.83 0.07 3.52 0.04 -1.26 -2.82 135.00 137.02 1i12 s PRO 64 Ca 0.36 1.00 0.06 0.00 0.04 0.00 0.00 61.00 62.45 1i12 s PRO 64 Cb 0.15 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1i12 s PRO 64 CO -0.10 -1.24 -0.07 -1.64 0.04 0.00 0.00 177.00 174.00 1i12 s MET 65 N 4.31 2.33 -0.03 4.56 -1.94 0.32 -0.33 119.30 128.53 1i12 s MET 65 Ca 0.54 -0.90 0.05 0.00 -1.71 0.00 0.00 55.69 53.66 1i12 s MET 65 Cb -0.13 -2.41 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 1i12 s MET 65 CO 0.26 0.54 -0.18 0.14 -0.01 0.00 0.00 175.02 175.77 1i12 s VAL 66 N -1.18 1.45 -0.24 -6.03 -7.23 -0.21 -1.87 120.40 105.09 1i12 s VAL 66 Ca 0.21 -0.76 -0.11 0.00 -1.81 0.00 0.00 61.98 59.51 1i12 s VAL 66 Cb -0.11 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 1i12 s VAL 66 CO 0.13 0.41 0.18 -0.63 -0.31 0.00 0.00 175.10 174.88 1i12 s ILE 67 N -0.24 5.34 -0.11 -0.62 1.01 -0.09 -1.66 121.20 124.82 1i12 s ILE 67 Ca 0.03 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 1i12 s ILE 67 Cb -0.09 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1i12 s ILE 67 CO 0.00 0.33 -0.05 -0.69 0.00 0.00 0.00 174.94 174.54 1i12 s VAL 68 N 1.15 3.86 -0.34 2.92 1.01 0.50 -0.08 120.40 129.42 1i12 s VAL 68 Ca 0.08 -0.39 -0.26 0.00 0.00 0.00 0.00 61.98 61.41 1i12 s VAL 68 Cb -0.14 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1i12 s VAL 68 CO 0.05 0.55 0.92 -0.62 0.00 0.00 0.00 175.10 176.00 1i12 s ASP 69 N -0.23 6.72 0.55 3.32 -1.08 0.11 -1.48 116.67 124.58 1i12 s ASP 69 Ca 0.04 0.69 0.26 0.00 -0.52 0.00 0.00 52.55 53.02 1i12 s ASP 69 Cb -0.13 -2.47 1.58 0.00 -1.46 0.00 0.00 42.92 40.45 1i12 s ASP 69 CO 0.02 -0.80 2.16 0.11 0.52 0.00 0.00 175.17 177.18 1i12 h LYS 70 N 8.32 0.00 -0.49 4.34 1.57 -1.40 0.24 116.57 129.14 1i12 h LYS 70 Ca -0.23 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1i12 h LYS 70 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1i12 h LYS 70 CO 0.97 0.06 0.20 0.00 -0.57 0.00 0.00 179.45 180.10 1i12 h ARG 71 N 0.00 0.71 0.00 3.15 3.08 -1.92 -3.30 114.38 116.09 1i12 h ARG 71 Ca -0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1i12 h ARG 71 Cb 0.14 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1i12 h ARG 71 CO 0.01 0.58 0.00 0.25 -1.07 0.00 0.00 179.97 179.74 1i12 n THR 72 N -4.35 0.22 -3.79 2.04 -2.24 -1.13 -5.02 114.28 100.01 1i12 n THR 72 Ca 0.04 -0.32 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 1i12 n THR 72 Cb 0.15 1.17 0.04 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.11 -5.62 -4.78 -0.78 -0.58 0.84 -4.98 120.64 104.63 1i12 n GLU 73 Ca 0.00 0.64 -0.33 0.00 -0.42 0.00 0.00 57.16 57.05 1i12 n GLU 73 Cb 0.28 -5.44 -0.12 0.00 -0.57 0.00 0.00 31.44 25.59 1i12 n GLU 73 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1i12 s THR 74 N -3.43 3.16 -0.03 2.62 2.01 -1.11 -4.90 115.64 113.97 1i12 s THR 74 Ca 0.41 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 1i12 s THR 74 Cb -0.20 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 1i12 s THR 74 CO 0.81 0.53 1.48 -0.69 -0.69 0.00 0.00 174.62 176.06 1i12 s VAL 75 N -0.80 3.68 -0.08 3.82 1.01 -1.26 -0.71 120.40 126.06 1i12 s VAL 75 Ca 0.13 0.98 0.19 0.00 0.00 0.00 0.00 61.98 63.27 1i12 s VAL 75 Cb -0.11 -3.63 -0.28 0.00 0.00 0.00 0.00 36.38 32.36 1i12 s VAL 75 CO 0.02 -0.04 0.31 0.00 0.00 0.00 0.00 175.10 175.39 1i12 n ALA 76 N 6.05 2.33 -3.47 5.51 0.00 0.89 -4.85 120.51 126.97 1i12 n ALA 76 Ca 0.15 -0.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.72 1i12 n ALA 76 Cb 0.43 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 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 -3.06 -1.69 -0.00 0.00 0.00 -1.13 -0.71 121.76 115.17 1i12 s ALA 77 Ca -0.08 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 52.66 1i12 s ALA 77 Cb 0.10 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1i12 s ALA 77 CO 0.80 -0.59 0.20 -0.08 0.00 0.00 0.00 175.76 176.09 1i12 s THR 78 N -2.62 0.08 0.08 0.00 -1.32 0.05 -0.91 115.64 111.00 1i12 s THR 78 Ca -0.04 -0.63 -0.26 0.00 -1.21 0.00 0.00 61.69 59.56 1i12 s THR 78 Cb -0.01 -0.51 0.08 0.00 -1.51 0.00 0.00 72.50 70.56 1i12 s THR 78 CO -0.03 -0.35 0.74 -0.83 -2.21 0.00 0.00 174.62 171.94 1i12 s GLY 79 N -1.40 -0.54 0.06 6.08 0.00 -0.78 -1.24 107.32 109.49 1i12 s GLY 79 Ca -0.14 0.73 0.04 0.00 0.00 0.00 0.00 44.72 45.34 1i12 s GLY 79 CO 0.02 0.24 -0.11 0.21 0.00 0.00 0.00 173.10 173.47 1i12 s ASN 80 N -2.63 1.25 -0.10 1.64 3.84 -0.49 -0.52 114.94 117.93 1i12 s ASN 80 Ca 0.03 -0.61 0.00 0.00 0.21 0.00 0.00 52.86 52.49 1i12 s ASN 80 Cb -0.01 0.00 0.02 0.00 -0.55 0.00 0.00 41.25 40.71 1i12 s ASN 80 CO -0.11 -0.17 -0.10 -0.51 -2.79 0.00 0.00 177.10 173.43 1i12 s ILE 81 N -1.50 1.11 -0.17 -5.21 2.07 -1.13 -1.08 121.20 115.30 1i12 s ILE 81 Ca -0.05 -0.38 -0.07 0.00 -1.41 0.00 0.00 60.65 58.75 1i12 s ILE 81 Cb -0.09 -1.09 -0.04 0.00 0.13 0.00 0.00 42.46 41.37 1i12 s ILE 81 CO 0.01 0.37 0.06 -0.63 -1.91 0.00 0.00 174.94 172.85 1i12 s ILE 82 N 1.39 4.82 -0.20 2.00 1.09 0.16 -2.11 121.20 128.35 1i12 s ILE 82 Ca -0.01 -0.03 -0.11 0.00 -1.10 0.00 0.00 60.65 59.40 1i12 s ILE 82 Cb -0.13 -3.15 -0.05 0.00 -1.06 0.00 0.00 42.46 38.07 1i12 s ILE 82 CO -0.05 0.49 0.18 -0.63 -0.10 0.00 0.00 174.94 174.83 1i12 s ILE 83 N 0.12 5.37 -0.06 2.92 -1.09 0.13 -0.67 121.20 127.93 1i12 s ILE 83 Ca 0.05 0.28 0.06 0.00 -2.23 0.00 0.00 60.65 58.82 1i12 s ILE 83 Cb -0.12 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 1i12 s ILE 83 CO 0.01 0.41 -0.25 -0.70 -1.23 0.00 0.00 174.94 173.18 1i12 s GLU 84 N 0.51 2.50 -0.20 2.79 2.12 -0.34 -4.78 118.70 121.30 1i12 s GLU 84 Ca 0.10 -0.90 -0.13 0.00 0.36 0.00 0.00 54.97 54.40 1i12 s GLU 84 Cb -0.12 -2.13 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 1i12 s GLU 84 CO 0.00 0.38 0.28 0.50 -0.54 0.00 0.00 175.26 175.89 1i12 s ARG 85 N -0.18 4.16 0.53 4.30 6.06 -1.26 -0.95 118.95 131.61 1i12 s ARG 85 Ca -0.03 -0.01 0.06 0.00 -2.50 0.00 0.00 55.73 53.25 1i12 s ARG 85 Cb -0.13 -3.50 0.03 0.00 0.06 0.00 0.00 34.95 31.40 1i12 s ARG 85 CO 0.03 0.08 0.38 0.15 -2.50 0.00 0.00 175.30 173.44 1i12 s LYS 86 N 0.97 2.27 -0.15 5.12 1.02 -0.15 -5.01 119.74 123.81 1i12 s LYS 86 Ca 0.14 -1.99 -0.10 0.00 0.02 0.00 0.00 55.97 54.04 1i12 s LYS 86 Cb -0.14 -2.09 -0.24 0.00 -0.52 0.00 0.00 37.83 34.85 1i12 s LYS 86 CO 0.05 -0.55 0.27 -0.89 -0.92 0.00 0.00 175.35 173.31 1i12 n ILE 87 N -1.70 1.70 -0.74 2.17 5.41 -1.26 -3.74 119.36 121.20 1i12 n ILE 87 Ca -0.02 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.93 1i12 n ILE 87 Cb 0.64 -1.79 0.17 0.00 -0.71 0.00 0.00 39.64 37.96 1i12 n ILE 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1i12 s ILE 88 N -2.51 2.19 -1.38 1.39 -4.36 -1.26 -1.25 121.20 114.02 1i12 s ILE 88 Ca -0.25 0.06 -0.07 0.00 -0.26 0.00 0.00 60.65 60.13 1i12 s ILE 88 Cb 0.07 -2.15 0.03 0.00 1.25 0.00 0.00 42.46 41.66 1i12 s ILE 88 CO 0.71 -0.08 0.97 1.41 0.24 0.00 0.00 174.94 178.19 1i12 n HIS 89 N -4.28 -2.34 -3.69 1.37 8.25 -1.26 -1.72 115.22 111.55 1i12 n HIS 89 Ca 0.10 0.92 -0.31 0.00 -0.26 0.00 0.00 57.72 58.17 1i12 n HIS 89 Cb 0.53 -4.54 0.04 0.00 1.12 0.00 0.00 29.99 27.13 1i12 n HIS 89 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1i12 n GLU 90 N -4.58 -1.15 -3.56 -0.41 1.02 -1.22 -2.00 120.64 108.74 1i12 n GLU 90 Ca -0.11 0.49 -0.22 0.00 -0.02 0.00 0.00 57.16 57.31 1i12 n GLU 90 Cb 0.60 -3.95 0.08 0.00 -0.02 0.00 0.00 31.44 28.14 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 -4.05 -3.58 -4.74 -4.62 4.77 -0.38 -4.96 117.00 99.44 1i12 n LEU 91 Ca -0.10 -0.60 -0.31 0.00 -0.03 0.00 0.00 56.01 54.97 1i12 n LEU 91 Cb 0.59 -3.02 0.11 0.00 -2.33 0.00 0.00 43.42 38.77 1i12 n LEU 91 CO 0.67 0.52 0.69 -0.83 -1.33 0.00 0.00 177.39 177.11 1i12 s GLY 92 N -3.79 1.65 -0.19 -0.72 0.00 -0.70 -4.62 107.32 98.96 1i12 s GLY 92 Ca 0.33 0.16 -0.07 0.00 0.00 0.00 0.00 44.72 45.13 1i12 s GLY 92 CO 0.74 0.56 0.05 1.08 0.00 0.00 0.00 173.10 175.54 1i12 s LEU 93 N -6.07 3.72 -0.07 0.66 1.43 -1.26 -0.98 118.68 116.12 1i12 s LEU 93 Ca 0.62 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.80 1i12 s LEU 93 Cb -0.18 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 1i12 s LEU 93 CO 0.57 0.15 -0.23 0.00 0.23 0.00 0.00 176.35 177.07 1i12 s GLY 95 N 0.06 2.26 -0.18 0.00 0.00 -0.54 -1.19 107.32 107.72 1i12 s GLY 95 Ca -0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 1i12 s GLY 95 CO 0.05 -0.40 -0.00 0.30 0.00 0.00 0.00 173.10 173.05 1i12 s HIS 96 N -1.52 1.36 -0.03 1.90 3.76 0.16 -1.11 115.29 119.81 1i12 s HIS 96 Ca 0.36 -0.97 -0.22 0.00 -0.15 0.00 0.00 55.06 54.08 1i12 s HIS 96 Cb -0.13 -1.16 -0.05 0.00 1.11 0.00 0.00 32.58 32.36 1i12 s HIS 96 CO 0.21 -0.61 0.67 0.42 -0.85 0.00 0.00 174.74 174.59 1i12 s ILE 97 N 1.74 4.95 0.05 0.60 1.01 -0.08 -0.67 121.20 128.81 1i12 s ILE 97 Ca -0.01 1.39 -0.03 0.00 0.00 0.00 0.00 60.65 62.00 1i12 s ILE 97 Cb -0.16 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 1i12 s ILE 97 CO -0.07 0.33 0.04 -1.61 0.00 0.00 0.00 174.94 173.63 1i12 s GLU 98 N 0.30 0.62 -1.27 2.79 0.41 -0.24 -4.53 118.70 116.79 1i12 s GLU 98 Ca 0.35 -1.01 -0.02 0.00 -0.41 0.00 0.00 54.97 53.88 1i12 s GLU 98 Cb -0.18 0.23 -0.01 0.00 -1.78 0.00 0.00 34.13 32.39 1i12 s GLU 98 CO 0.18 -0.14 0.74 -0.25 -0.49 0.00 0.00 175.26 175.30 1i12 n ASP 99 N 0.37 -1.88 -4.68 -0.19 8.00 -1.26 -1.40 116.55 115.51 1i12 n ASP 99 Ca -0.16 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 1i12 n ASP 99 Cb 0.60 -4.17 -0.03 0.00 -0.02 0.00 0.00 41.12 37.50 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 -3.61 4.81 -0.14 0.53 -1.09 -1.26 -3.99 121.20 116.44 1i12 s ILE 100 Ca 0.07 1.87 -0.06 0.00 -2.23 0.00 0.00 60.65 60.30 1i12 s ILE 100 Cb -0.02 -4.24 0.06 0.00 -1.58 0.00 0.00 42.46 36.69 1i12 s ILE 100 CO 0.80 -0.02 0.31 0.00 -1.23 0.00 0.00 174.94 174.81 1i12 s ALA 101 N 2.27 -0.75 -0.22 9.38 0.00 -0.38 -4.88 121.76 127.19 1i12 s ALA 101 Ca 0.43 1.16 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 1i12 s ALA 101 Cb -0.17 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1i12 s ALA 101 CO 0.14 -0.46 0.06 0.08 0.00 0.00 0.00 175.76 175.58 1i12 s VAL 102 N 1.92 4.45 0.27 0.00 1.01 -1.26 -0.77 120.40 126.02 1i12 s VAL 102 Ca -0.04 -0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 1i12 s VAL 102 Cb -0.11 -3.04 -0.14 0.00 0.00 0.00 0.00 36.38 33.08 1i12 s VAL 102 CO -0.10 0.39 0.98 -3.20 0.00 0.00 0.00 175.10 173.17 1i12 n ASN 103 N 4.34 1.09 0.30 3.32 2.85 0.11 -4.77 115.26 122.50 1i12 n ASN 103 Ca -0.16 1.17 0.19 0.00 -0.11 0.00 0.00 54.58 55.67 1i12 n ASN 103 Cb 0.52 -1.25 0.99 0.00 1.24 0.00 0.00 39.78 41.27 1i12 n ASN 103 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1i12 h SER 104 N 2.03 0.00 0.36 1.20 4.64 -1.89 0.10 113.55 119.99 1i12 h SER 104 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1i12 h SER 104 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1i12 h SER 104 CO 0.61 0.00 -0.10 0.29 -0.87 0.00 0.00 176.83 176.76 1i12 n LYS 105 N -3.25 0.69 -0.02 4.77 5.02 -1.26 -4.08 118.16 120.02 1i12 n LYS 105 Ca -0.01 -0.22 0.02 0.00 -2.02 0.00 0.00 58.31 56.08 1i12 n LYS 105 Cb 0.23 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1i12 n LYS 105 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i12 n TYR 106 N -0.96 0.00 -1.88 2.13 4.01 0.35 -5.06 117.16 115.75 1i12 n TYR 106 Ca 0.15 -0.59 -0.31 0.00 -0.16 0.00 0.00 57.90 56.98 1i12 n TYR 106 Cb 0.27 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.24 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 -1.40 3.60 -0.84 -0.72 -0.21 -1.20 -4.26 119.66 114.64 1i12 s GLN 107 Ca 0.08 0.76 0.00 0.00 0.02 0.00 0.00 55.36 56.22 1i12 s GLN 107 Cb 0.07 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 32.00 1i12 s GLN 107 CO 0.01 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 173.02 1i12 n GLY 108 N -2.69 0.98 0.16 3.09 0.00 -1.26 -4.88 105.19 100.60 1i12 n GLY 108 Ca 0.06 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.67 1.12 -0.20 1.61 10.64 -1.26 -5.01 117.38 121.61 1i12 n GLN 109 Ca -0.08 -1.79 0.00 0.00 -1.83 0.00 0.00 57.00 53.30 1i12 n GLN 109 Cb 0.27 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.59 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 -0.77 0.64 0.28 2.61 0.00 -1.26 -4.97 105.19 101.71 1i12 n GLY 110 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1i12 n GLY 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i12 h LEU 111 N 0.00 0.85 -0.02 0.99 3.38 -1.95 -1.92 115.31 116.63 1i12 h LEU 111 Ca 0.00 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.71 1i12 h LEU 111 Cb 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1i12 h LEU 111 CO 0.00 1.00 -0.09 1.23 0.09 0.00 0.00 178.44 180.67 1i12 h GLY 112 N 0.96 -0.09 0.85 0.83 0.00 -1.93 0.72 103.07 104.40 1i12 h GLY 112 Ca 0.11 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.59 1i12 h GLY 112 CO 0.05 -0.10 0.49 1.70 0.00 0.00 0.00 176.54 178.67 1i12 h LYS 113 N -0.15 0.91 -0.62 4.80 3.64 -1.94 -0.87 116.57 122.33 1i12 h LYS 113 Ca 0.04 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1i12 h LYS 113 Cb 0.21 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1i12 h LYS 113 CO -0.11 0.60 0.33 -0.07 -2.27 0.00 0.00 179.45 177.93 1i12 h LEU 114 N 0.94 0.79 -0.20 5.20 3.38 -0.90 0.01 115.31 124.52 1i12 h LEU 114 Ca 0.31 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1i12 h LEU 114 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1i12 h LEU 114 CO -0.12 0.67 0.11 0.25 0.09 0.00 0.00 178.44 179.44 1i12 h LEU 115 N 0.85 0.25 -0.71 1.67 5.85 -0.41 -1.60 115.31 121.20 1i12 h LEU 115 Ca 0.22 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1i12 h LEU 115 Cb 0.06 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1i12 h LEU 115 CO -0.03 0.26 0.27 0.40 -0.34 0.00 0.00 178.44 179.00 1i12 h ILE 116 N 0.22 1.25 -0.90 4.05 1.08 -0.99 -0.79 117.51 121.43 1i12 h ILE 116 Ca 0.07 -0.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.74 1i12 h ILE 116 Cb 0.07 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.21 1i12 h ILE 116 CO -0.01 0.32 0.53 0.44 -0.69 0.00 0.00 178.15 178.73 1i12 h ASP 117 N 1.02 1.09 -0.46 1.72 3.32 -0.80 0.05 116.42 122.37 1i12 h ASP 117 Ca 0.24 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1i12 h ASP 117 Cb 0.22 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1i12 h ASP 117 CO -0.02 0.85 0.07 1.56 -1.72 0.00 0.00 179.24 179.98 1i12 h GLN 118 N 1.25 0.76 -0.77 3.56 1.08 -0.67 -1.50 115.11 118.81 1i12 h GLN 118 Ca 0.32 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 57.26 1i12 h GLN 118 Cb -0.03 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1i12 h GLN 118 CO -0.06 0.78 0.28 -0.07 -0.95 0.00 0.00 178.83 178.82 1i12 h LEU 119 N 0.63 1.08 -0.76 1.46 3.38 -0.64 -1.49 115.31 118.97 1i12 h LEU 119 Ca 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1i12 h LEU 119 Cb 0.39 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1i12 h LEU 119 CO 0.01 0.97 0.39 0.58 0.09 0.00 0.00 178.44 180.48 1i12 h VAL 120 N 1.13 1.24 -0.53 1.22 2.07 -0.89 -1.37 116.25 119.12 1i12 h VAL 120 Ca 0.25 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1i12 h VAL 120 Cb 0.25 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1i12 h VAL 120 CO -0.02 0.27 0.26 0.74 0.02 0.00 0.00 177.57 178.85 1i12 h THR 121 N 1.06 1.19 -0.22 2.57 2.02 -0.91 -0.87 112.91 117.75 1i12 h THR 121 Ca 0.26 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1i12 h THR 121 Cb 0.08 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1i12 h THR 121 CO -0.04 0.21 0.10 0.40 0.37 0.00 0.00 175.52 176.57 1i12 h ILE 122 N 0.70 0.98 -0.27 3.11 2.04 -0.94 -0.20 117.51 122.94 1i12 h ILE 122 Ca 0.18 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 1i12 h ILE 122 Cb 0.10 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1i12 h ILE 122 CO -0.02 0.04 0.08 1.23 0.00 0.00 0.00 178.15 179.47 1i12 h GLY 123 N 0.22 0.46 1.80 5.37 0.00 -0.90 -2.39 103.07 107.63 1i12 h GLY 123 Ca 0.09 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 1i12 h GLY 123 CO -0.07 0.26 -0.34 0.74 0.00 0.00 0.00 176.54 177.13 1i12 h PHE 124 N 0.27 0.26 0.00 5.60 0.04 -1.11 -2.23 116.94 119.76 1i12 h PHE 124 Ca 0.09 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1i12 h PHE 124 Cb 0.26 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1i12 h PHE 124 CO 0.01 0.55 -0.25 -0.44 -0.60 0.00 0.00 178.31 177.57 1i12 h ASP 125 N 0.20 0.00 1.26 2.17 3.32 -0.80 -1.55 116.42 121.01 1i12 h ASP 125 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1i12 h ASP 125 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1i12 h ASP 125 CO 0.05 0.25 0.00 1.88 -1.72 0.00 0.00 179.24 179.70 1i12 h TYR 126 N 0.00 0.00 0.00 4.55 0.05 -0.98 -3.47 116.97 117.12 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 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 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 0.84 1.22 3.77 3.88 0.00 -0.58 -5.07 105.19 109.25 1i12 n GLY 127 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 2.85 0.00 -3.14 0.00 -0.00 -1.55 -3.43 116.97 111.70 1i12 h TYR 129 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.21 1i12 h TYR 129 Cb 1.24 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 37.86 1i12 h TYR 129 CO 0.53 0.23 0.12 -1.59 -0.00 0.00 0.00 178.16 177.45 1i12 s LYS 130 N -3.12 1.28 -0.05 0.10 -2.85 -1.26 -5.10 119.74 108.74 1i12 s LYS 130 Ca 0.03 -0.63 0.02 0.00 -1.00 0.00 0.00 55.97 54.40 1i12 s LYS 130 Cb 0.07 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.41 1i12 s LYS 130 CO 0.73 -0.55 -0.09 0.42 0.10 0.00 0.00 175.35 175.96 1i12 s ILE 131 N -3.79 0.89 0.22 3.79 1.01 -1.26 -1.47 121.20 120.58 1i12 s ILE 131 Ca 0.03 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.40 1i12 s ILE 131 Cb -0.01 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 1i12 s ILE 131 CO -0.10 0.29 -0.14 0.27 0.00 0.00 0.00 174.94 175.27 1i12 s ILE 132 N 0.58 1.78 0.22 2.92 -4.36 -0.27 -4.96 121.20 117.12 1i12 s ILE 132 Ca -0.11 -2.22 -0.19 0.00 -0.26 0.00 0.00 60.65 57.88 1i12 s ILE 132 Cb -0.13 -2.13 0.03 0.00 1.25 0.00 0.00 42.46 41.48 1i12 s ILE 132 CO 0.02 -0.54 0.60 -1.48 0.24 0.00 0.00 174.94 173.78 1i12 s LEU 133 N -3.35 -0.13 0.01 0.37 0.05 -1.26 -0.90 118.68 113.47 1i12 s LEU 133 Ca 0.24 -0.48 0.08 0.00 0.05 0.00 0.00 54.13 54.02 1i12 s LEU 133 Cb -0.00 2.40 -0.03 0.00 -2.05 0.00 0.00 46.19 46.51 1i12 s LEU 133 CO 0.08 -1.15 -0.24 -1.81 -0.55 0.00 0.00 176.35 172.68 1i12 s ASP 134 N -2.88 3.29 0.14 1.48 1.01 -1.26 -5.04 116.67 113.40 1i12 s ASP 134 Ca 0.10 -0.49 -0.12 0.00 0.71 0.00 0.00 52.55 52.75 1i12 s ASP 134 Cb -0.03 -0.40 0.01 0.00 1.01 0.00 0.00 42.92 43.51 1i12 s ASP 134 CO -0.00 0.29 0.32 0.00 0.21 0.00 0.00 175.17 175.99 1i12 s ASP 136 N -2.88 5.53 0.39 0.00 1.01 -1.26 -4.92 116.67 114.55 1i12 s ASP 136 Ca 0.08 1.77 0.16 0.00 0.71 0.00 0.00 52.55 55.27 1i12 s ASP 136 Cb 0.03 -2.52 1.02 0.00 1.01 0.00 0.00 42.92 42.46 1i12 s ASP 136 CO -0.07 -1.34 1.83 -0.08 0.21 0.00 0.00 175.17 175.72 1i12 h GLU 137 N -0.04 0.46 0.00 8.23 4.81 -2.02 -0.11 114.58 125.91 1i12 h GLU 137 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1i12 h GLU 137 Cb 1.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1i12 h GLU 137 CO 0.57 0.31 0.00 1.57 -0.73 0.00 0.00 179.01 180.72 1i12 h LYS 138 N 0.48 0.00 -0.02 1.92 2.10 -2.07 -2.47 116.57 116.52 1i12 h LYS 138 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 1i12 h LYS 138 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1i12 h LYS 138 CO -0.23 0.00 -0.41 0.09 -2.00 0.00 0.00 179.45 176.90 1i12 n ASN 139 N -2.64 2.13 -0.25 7.07 5.03 -0.06 -4.52 115.26 122.02 1i12 n ASN 139 Ca -0.00 -1.56 0.03 0.00 0.87 0.00 0.00 54.58 53.91 1i12 n ASN 139 Cb 0.17 0.42 0.16 0.00 -1.02 0.00 0.00 39.78 39.51 1i12 n ASN 139 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1i12 h VAL 140 N 2.68 0.77 -0.31 2.41 2.07 -1.38 -1.65 116.25 120.84 1i12 h VAL 140 Ca 0.00 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1i12 h VAL 140 Cb 0.78 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1i12 h VAL 140 CO 0.00 0.10 0.02 0.11 0.02 0.00 0.00 177.57 177.82 1i12 h LYS 141 N 0.54 0.47 -0.20 1.57 1.79 -1.79 -0.22 116.57 118.73 1i12 h LYS 141 Ca 0.38 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.75 1i12 h LYS 141 Cb 0.48 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1i12 h LYS 141 CO -0.32 0.48 0.07 0.35 -1.08 0.00 0.00 179.45 178.95 1i12 h PHE 142 N 0.46 0.31 0.00 -1.35 3.57 -1.62 -2.11 116.94 116.20 1i12 h PHE 142 Ca 0.10 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1i12 h PHE 142 Cb 0.27 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1i12 h PHE 142 CO 0.01 0.37 -0.33 1.88 -2.23 0.00 0.00 178.31 178.01 1i12 h TYR 143 N 0.16 0.00 -0.38 0.41 0.05 -0.71 -1.97 116.97 114.54 1i12 h TYR 143 Ca 0.07 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 1i12 h TYR 143 Cb 0.20 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 1i12 h TYR 143 CO -0.01 0.33 -0.18 0.93 -1.05 0.00 0.00 178.16 178.18 1i12 h GLU 144 N 0.00 0.71 0.00 4.88 5.08 -0.89 -1.14 114.58 123.22 1i12 h GLU 144 Ca -0.00 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1i12 h GLU 144 Cb 0.66 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1i12 h GLU 144 CO 0.04 0.85 -0.01 0.87 -1.00 0.00 0.00 179.01 179.76 1i12 h LYS 145 N 0.63 0.00 -0.29 2.33 1.79 -0.67 -1.64 116.57 118.72 1i12 h LYS 145 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1i12 h LYS 145 Cb 0.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1i12 h LYS 145 CO 0.05 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.43 1i12 n GLY 147 N 1.30 0.74 3.91 0.00 0.00 -0.62 -4.93 105.19 105.60 1i12 n GLY 147 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.28 3.52 0.10 1.61 0.40 -0.52 -5.00 117.98 115.81 1i12 s PHE 148 Ca 0.00 0.74 0.03 0.00 -0.60 0.00 0.00 56.93 57.10 1i12 s PHE 148 Cb 0.00 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1i12 s PHE 148 CO 0.00 -0.30 -0.08 -1.54 0.70 0.00 0.00 175.22 174.00 1i12 s SER 149 N -4.12 1.30 0.26 1.36 1.04 -1.26 -4.13 113.70 108.15 1i12 s SER 149 Ca 0.47 -0.92 -0.30 0.00 0.48 0.00 0.00 55.95 55.69 1i12 s SER 149 Cb -0.10 0.05 -0.10 0.00 0.10 0.00 0.00 66.02 65.96 1i12 s SER 149 CO 0.44 -0.37 1.49 0.21 0.98 0.00 0.00 173.24 175.99 1i12 s ASN 150 N -2.78 6.56 0.00 7.02 3.84 -1.26 -4.89 114.94 123.43 1i12 s ASN 150 Ca 0.09 2.76 0.00 0.00 0.21 0.00 0.00 52.86 55.92 1i12 s ASN 150 Cb 0.01 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.09 1i12 s ASN 150 CO -0.02 -0.77 0.00 0.00 -2.79 0.00 0.00 177.10 173.52 1i12 n ALA 151 N 2.30 1.35 0.00 1.71 0.00 -1.26 -5.14 120.51 119.48 1i12 n ALA 151 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 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 0.94 -0.50 3.35 0.00 0.00 -1.26 -5.14 105.19 102.59 1i12 n GLY 152 Ca 0.00 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.00 2.55 -0.13 1.61 1.01 -1.26 -5.11 120.40 116.05 1i12 s VAL 153 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1i12 s VAL 153 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1i12 s VAL 153 CO 0.00 0.57 0.49 -0.70 0.00 0.00 0.00 175.10 175.46 1i12 s GLU 154 N -0.25 4.31 0.16 2.72 2.12 -1.26 -5.07 118.70 121.43 1i12 s GLU 154 Ca 0.00 0.46 0.09 0.00 0.36 0.00 0.00 54.97 55.88 1i12 s GLU 154 Cb -0.13 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1i12 s GLU 154 CO 0.03 0.09 -0.13 -1.64 -0.54 0.00 0.00 175.26 173.07 1i12 s MET 155 N 0.86 1.95 0.06 4.30 -1.94 -1.26 -5.15 119.30 118.12 1i12 s MET 155 Ca 0.26 -1.26 -0.07 0.00 -1.71 0.00 0.00 55.69 52.91 1i12 s MET 155 Cb -0.15 -2.13 -0.01 0.00 2.01 0.00 0.00 34.83 34.55 1i12 s MET 155 CO 0.10 0.45 0.14 1.14 -0.01 0.00 0.00 175.02 176.84 1i12 s GLN 156 N -2.63 0.72 0.02 2.03 -2.07 -1.26 -5.16 119.66 111.32 1i12 s GLN 156 Ca 0.23 -0.89 0.01 0.00 -1.82 0.00 0.00 55.36 52.88 1i12 s GLN 156 Cb -0.09 0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 32.10 1i12 s GLN 156 CO 0.13 -0.20 -0.04 -1.50 -1.32 0.00 0.00 175.29 172.36 1i12 s ILE 157 N -3.35 0.20 0.00 3.63 2.07 -1.26 -5.37 121.20 117.11 1i12 s ILE 157 Ca 0.01 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 1i12 s ILE 157 Cb 0.03 -0.30 0.00 0.00 0.13 0.00 0.00 42.46 42.32 1i12 s ILE 157 CO -0.08 -0.38 0.09 0.54 -1.91 0.00 0.00 174.94 173.20