#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ieq n ASP 2 N 0.00 5.39 -4.82 6.12 2.03 -1.26 -5.00 116.55 119.01 3ieq n ASP 2 Ca 0.00 -3.09 -0.33 0.00 0.52 0.00 0.00 54.79 51.88 3ieq n ASP 2 Cb 0.00 -1.47 -0.06 0.00 -0.72 0.00 0.00 41.12 38.87 3ieq n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ieq s PHE 3 N 0.15 3.25 0.01 -0.67 0.08 -1.26 -1.70 117.98 117.83 3ieq s PHE 3 Ca 0.38 1.60 -0.02 0.00 0.12 0.00 0.00 56.93 59.02 3ieq s PHE 3 Cb 0.02 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.57 3ieq s PHE 3 CO 0.01 -0.24 0.02 1.03 -0.10 0.00 0.00 175.22 175.93 3ieq s ARG 4 N -3.19 0.26 0.17 0.44 1.81 -0.19 -4.98 118.95 113.28 3ieq s ARG 4 Ca 0.63 -0.37 0.08 0.00 -1.72 0.00 0.00 55.73 54.35 3ieq s ARG 4 Cb -0.10 0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 3ieq s ARG 4 CO 0.14 -0.05 -0.08 0.96 -0.68 0.00 0.00 175.30 175.59 3ieq s ILE 5 N -1.00 3.31 0.06 1.52 -4.36 -1.26 -1.45 121.20 118.02 3ieq s ILE 5 Ca -0.11 -1.55 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 3ieq s ILE 5 Cb -0.07 -2.62 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 3ieq s ILE 5 CO -0.00 -0.07 -0.08 -0.83 0.24 0.00 0.00 174.94 174.20 3ieq s GLY 6 N -2.73 0.64 0.03 6.27 0.00 -0.09 -4.00 107.32 107.44 3ieq s GLY 6 Ca 0.25 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 44.03 3ieq s GLY 6 CO 0.15 -1.05 -0.13 -0.86 0.00 0.00 0.00 173.10 171.22 3ieq s GLN 7 N -2.31 0.88 0.04 2.90 1.03 -1.26 -1.41 119.66 119.53 3ieq s GLN 7 Ca -0.02 -0.67 0.03 0.00 0.04 0.00 0.00 55.36 54.74 3ieq s GLN 7 Cb -0.05 -0.86 -0.02 0.00 0.03 0.00 0.00 33.01 32.11 3ieq s GLN 7 CO -0.01 0.22 -0.09 0.20 -2.54 0.00 0.00 175.29 173.07 3ieq s GLY 8 N -0.97 0.54 -0.01 2.60 0.00 0.49 -3.91 107.32 106.06 3ieq s GLY 8 Ca 0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.02 3ieq s GLY 8 CO 0.01 -0.73 0.03 -0.47 0.00 0.00 0.00 173.10 171.93 3ieq s TYR 9 N -1.09 -0.02 0.04 1.90 6.14 -1.26 -0.85 117.35 122.22 3ieq s TYR 9 Ca -0.06 0.08 -0.15 0.00 0.64 0.00 0.00 57.07 57.59 3ieq s TYR 9 Cb -0.08 -0.04 0.02 0.00 0.42 0.00 0.00 41.96 42.28 3ieq s TYR 9 CO 0.01 -0.03 0.32 0.34 0.64 0.00 0.00 175.55 176.83 3ieq s ASP 10 N 0.22 -0.15 -0.05 4.32 2.15 -0.53 -4.71 116.67 117.91 3ieq s ASP 10 Ca -0.02 -0.15 -0.09 0.00 0.43 0.00 0.00 52.55 52.72 3ieq s ASP 10 Cb -0.03 0.37 0.02 0.00 -0.30 0.00 0.00 42.92 42.98 3ieq s ASP 10 CO -0.01 -0.62 0.23 0.54 -0.17 0.00 0.00 175.17 175.13 3ieq s VAL 11 N -2.53 0.03 0.02 1.11 0.11 -1.26 -0.99 120.40 116.89 3ieq s VAL 11 Ca -0.05 -0.28 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 3ieq s VAL 11 Cb -0.01 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 3ieq s VAL 11 CO -0.03 -0.15 -0.05 -1.00 -3.33 0.00 0.00 175.10 170.54 3ieq s HIS 12 N -0.56 0.41 0.40 1.54 3.76 -0.87 -5.00 115.29 114.97 3ieq s HIS 12 Ca -0.07 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.21 3ieq s HIS 12 Cb -0.04 -0.26 -0.09 0.00 1.11 0.00 0.00 32.58 33.30 3ieq s HIS 12 CO 0.01 -0.09 1.27 -0.65 -0.85 0.00 0.00 174.74 174.43 3ieq s GLN 13 N -1.08 4.03 -0.27 1.40 -0.21 -1.26 -1.55 119.66 120.71 3ieq s GLN 13 Ca -0.09 2.08 -0.17 0.00 0.02 0.00 0.00 55.36 57.20 3ieq s GLN 13 Cb -0.07 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.14 3ieq s GLN 13 CO -0.00 -0.42 0.47 -0.51 -2.12 0.00 0.00 175.29 172.71 3ieq s LEU 14 N -2.38 4.07 0.09 2.90 1.43 -0.20 -1.05 118.68 123.54 3ieq s LEU 14 Ca 0.56 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 3ieq s LEU 14 Cb -0.36 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 3ieq s LEU 14 CO 0.47 -0.27 -0.10 0.68 0.23 0.00 0.00 176.35 177.36 3ieq s VAL 15 N 2.24 0.88 0.83 -1.59 -7.23 0.35 -4.85 120.40 111.04 3ieq s VAL 15 Ca 0.19 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 3ieq s VAL 15 Cb -0.16 -1.31 0.10 0.00 0.56 0.00 0.00 36.38 35.57 3ieq s VAL 15 CO 0.10 -0.56 1.13 -2.84 -0.31 0.00 0.00 175.10 172.62 3ieq s PRO 16 N -2.74 1.65 -1.24 4.82 0.02 -1.26 -1.03 135.00 135.22 3ieq s PRO 16 Ca 0.04 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.50 3ieq s PRO 16 Cb -0.03 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.68 3ieq s PRO 16 CO -0.00 -2.14 0.00 0.41 -0.33 0.00 0.00 177.00 174.94 3ieq n GLY 17 N -0.28 0.86 3.12 0.52 0.00 -1.26 -4.81 105.19 103.33 3ieq n GLY 17 Ca 0.11 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 3ieq n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ieq s ARG 18 N -3.56 1.17 0.43 1.61 1.81 -1.26 -5.02 118.95 114.14 3ieq s ARG 18 Ca 0.00 -0.53 -0.24 0.00 -1.72 0.00 0.00 55.73 53.24 3ieq s ARG 18 Cb 0.00 -1.13 -0.08 0.00 -0.45 0.00 0.00 34.95 33.29 3ieq s ARG 18 CO 0.00 0.31 1.16 -1.25 -0.68 0.00 0.00 175.30 174.84 3ieq s PRO 19 N -0.37 3.90 -0.49 3.54 0.04 -1.26 -2.29 135.00 138.07 3ieq s PRO 19 Ca 0.05 1.78 -0.20 0.00 0.04 0.00 0.00 61.00 62.68 3ieq s PRO 19 Cb -0.06 -2.52 0.05 0.00 0.04 0.00 0.00 34.50 32.01 3ieq s PRO 19 CO -0.00 -0.43 0.64 -1.17 0.04 0.00 0.00 177.00 176.07 3ieq s LEU 20 N -2.79 4.79 -0.22 -3.56 2.96 -1.26 -3.36 118.68 115.25 3ieq s LEU 20 Ca 0.61 -0.72 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 3ieq s LEU 20 Cb -0.29 -2.53 0.04 0.00 0.50 0.00 0.00 46.19 43.91 3ieq s LEU 20 CO 0.36 -0.86 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.74 3ieq s ILE 21 N 2.72 2.18 -0.07 6.68 1.01 -1.26 -0.11 121.20 132.35 3ieq s ILE 21 Ca 0.18 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.59 3ieq s ILE 21 Cb -0.17 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.22 3ieq s ILE 21 CO 0.14 0.26 -0.11 -0.63 0.00 0.00 0.00 174.94 174.61 3ieq s ILE 22 N 1.21 1.05 -1.40 2.92 1.01 -0.58 -4.26 121.20 121.15 3ieq s ILE 22 Ca -0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 3ieq s ILE 22 Cb -0.16 -0.98 0.06 0.00 0.01 0.00 0.00 42.46 41.38 3ieq s ILE 22 CO -0.09 0.34 0.61 0.61 0.00 0.00 0.00 174.94 176.41 3ieq n GLY 23 N 3.99 -0.50 2.96 6.18 0.00 -1.26 -1.07 105.19 115.50 3ieq n GLY 23 Ca -0.22 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3ieq n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ieq n GLY 24 N -1.35 2.03 3.61 -0.02 0.00 -1.26 -4.36 105.19 103.83 3ieq n GLY 24 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3ieq n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ieq s VAL 25 N -3.45 5.17 -0.11 1.61 1.01 -0.23 -5.05 120.40 119.35 3ieq s VAL 25 Ca 0.00 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 3ieq s VAL 25 Cb 0.00 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3ieq s VAL 25 CO 0.00 0.16 1.31 -0.89 0.00 0.00 0.00 175.10 175.67 3ieq s THR 26 N 2.07 4.13 -0.13 3.92 2.01 -1.26 -1.53 115.64 124.85 3ieq s THR 26 Ca 0.15 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.57 3ieq s THR 26 Cb -0.16 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 3ieq s THR 26 CO 0.10 -0.08 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.18 3ieq s ILE 27 N 3.10 3.00 0.11 1.82 1.01 0.84 -5.01 121.20 126.08 3ieq s ILE 27 Ca 0.58 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 60.24 3ieq s ILE 27 Cb -0.25 -2.25 -0.10 0.00 0.01 0.00 0.00 42.46 39.87 3ieq s ILE 27 CO 0.19 0.53 1.76 -2.84 0.00 0.00 0.00 174.94 174.58 3ieq s PRO 28 N 0.34 4.16 -0.21 2.79 0.02 -1.26 -4.08 135.00 136.76 3ieq s PRO 28 Ca -0.11 2.51 -0.29 0.00 0.02 0.00 0.00 61.00 63.12 3ieq s PRO 28 Cb -0.16 -3.55 0.15 0.00 0.02 0.00 0.00 34.50 30.96 3ieq s PRO 28 CO 0.06 -0.80 1.13 -0.47 -0.33 0.00 0.00 177.00 176.59 3ieq s TYR 29 N 2.56 -0.26 0.15 6.54 5.04 -1.26 -4.97 117.35 125.14 3ieq s TYR 29 Ca 0.78 0.46 0.35 0.00 -2.44 0.00 0.00 57.07 56.21 3ieq s TYR 29 Cb -0.44 0.46 1.51 0.00 0.35 0.00 0.00 41.96 43.84 3ieq s TYR 29 CO 0.35 -0.23 2.03 1.05 -1.34 0.00 0.00 175.55 177.40 3ieq h GLU 30 N 2.48 0.00 -5.39 4.97 9.09 -1.94 -3.44 114.58 120.34 3ieq h GLU 30 Ca -0.16 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.74 3ieq h GLU 30 Cb 1.17 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 28.13 3ieq h GLU 30 CO 0.27 0.00 -0.62 1.03 0.05 0.00 0.00 179.01 179.74 3ieq s ARG 31 N -3.72 1.70 0.26 1.06 0.52 -1.26 -4.34 118.95 113.17 3ieq s ARG 31 Ca 0.00 -1.93 -0.01 0.00 -0.52 0.00 0.00 55.73 53.27 3ieq s ARG 31 Cb 0.10 -1.11 -0.03 0.00 0.52 0.00 0.00 34.95 34.43 3ieq s ARG 31 CO 0.51 -0.11 0.28 0.20 0.02 0.00 0.00 175.30 176.19 3ieq s GLY 32 N -3.53 1.53 0.04 -3.53 0.00 -0.19 -4.13 107.32 97.51 3ieq s GLY 32 Ca 0.35 -1.64 -0.24 0.00 0.00 0.00 0.00 44.72 43.18 3ieq s GLY 32 CO 0.15 -1.24 0.75 1.08 0.00 0.00 0.00 173.10 173.84 3ieq s LEU 33 N -3.20 4.44 -0.15 0.66 1.43 -1.21 -0.49 118.68 120.15 3ieq s LEU 33 Ca 0.36 1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 3ieq s LEU 33 Cb 0.03 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 3ieq s LEU 33 CO 0.17 0.02 0.47 -0.22 0.23 0.00 0.00 176.35 177.02 3ieq s LEU 34 N -0.05 4.23 -0.08 1.79 2.96 -0.22 -4.69 118.68 122.62 3ieq s LEU 34 Ca 0.38 0.73 -0.32 0.00 -0.22 0.00 0.00 54.13 54.70 3ieq s LEU 34 Cb -0.20 -2.66 0.12 0.00 0.50 0.00 0.00 46.19 43.95 3ieq s LEU 34 CO 0.22 -0.05 1.18 -0.83 -1.32 0.00 0.00 176.35 175.55 3ieq s GLY 35 N 0.80 -0.35 0.13 7.98 0.00 -1.26 -4.32 107.32 110.29 3ieq s GLY 35 Ca 0.24 1.09 -0.19 0.00 0.00 0.00 0.00 44.72 45.86 3ieq s GLY 35 CO 0.09 0.32 1.76 0.45 0.00 0.00 0.00 173.10 175.72 3ieq h HIS 36 N 2.00 0.16 -0.39 1.90 -0.00 -2.00 -3.43 115.15 113.40 3ieq h HIS 36 Ca -0.19 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 3ieq h HIS 36 Cb 1.19 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 3ieq h HIS 36 CO 0.30 0.09 0.00 -1.13 -0.00 0.00 0.00 177.93 177.19 3ieq n SER 37 N -5.02 0.00 0.00 2.45 3.41 -1.26 -4.90 113.62 108.30 3ieq n SER 37 Ca -0.03 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.69 3ieq n SER 37 Cb 0.06 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.62 3ieq n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ieq n ASP 38 N 0.00 0.00 -3.32 4.04 5.75 -1.26 -4.93 116.55 116.83 3ieq n ASP 38 Ca 0.00 -1.25 -0.24 0.00 -0.01 0.00 0.00 54.79 53.29 3ieq n ASP 38 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 3ieq n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ieq n ALA 39 N -0.84 -1.11 -2.31 2.12 0.00 -1.26 -4.78 120.51 112.34 3ieq n ALA 39 Ca 0.15 0.29 -0.37 0.00 0.00 0.00 0.00 53.44 53.51 3ieq n ALA 39 Cb 0.07 -4.27 -0.03 0.00 0.00 0.00 0.00 19.45 15.22 3ieq n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ieq s ASP 40 N -2.93 5.79 0.27 0.00 -1.08 -1.26 -4.80 116.67 112.66 3ieq s ASP 40 Ca 0.43 -0.54 -0.02 0.00 -0.52 0.00 0.00 52.55 51.89 3ieq s ASP 40 Cb -0.20 -2.55 0.40 0.00 -1.46 0.00 0.00 42.92 39.11 3ieq s ASP 40 CO 0.54 -2.10 1.90 1.62 0.52 0.00 0.00 175.17 177.65 3ieq h VAL 41 N 6.71 1.12 -0.28 1.11 3.04 -1.91 -1.59 116.25 124.45 3ieq h VAL 41 Ca -0.07 -0.41 -0.07 0.00 -1.01 0.00 0.00 66.70 65.14 3ieq h VAL 41 Cb 1.06 -0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 3ieq h VAL 41 CO 1.29 0.22 -0.09 0.25 -1.01 0.00 0.00 177.57 178.23 3ieq h LEU 42 N 1.19 0.56 -0.70 3.16 5.85 -1.90 -2.24 115.31 121.24 3ieq h LEU 42 Ca 0.41 -0.38 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 3ieq h LEU 42 Cb 0.11 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3ieq h LEU 42 CO -0.15 0.81 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.46 3ieq h LEU 43 N 0.30 0.77 -0.48 2.25 3.38 -1.83 -1.87 115.31 117.85 3ieq h LEU 43 Ca 0.07 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3ieq h LEU 43 Cb 0.57 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3ieq h LEU 43 CO 0.03 0.98 0.28 0.45 0.09 0.00 0.00 178.44 180.27 3ieq h HIS 44 N 0.66 0.64 -0.37 1.13 3.86 -1.30 -0.07 115.15 119.71 3ieq h HIS 44 Ca 0.09 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3ieq h HIS 44 Cb 0.74 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 3ieq h HIS 44 CO 0.04 0.46 0.23 0.00 0.86 0.00 0.00 177.93 179.51 3ieq h ALA 45 N 1.13 0.47 -0.59 2.45 0.00 -1.11 -0.44 119.26 121.16 3ieq h ALA 45 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ieq h ALA 45 Cb 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3ieq h ALA 45 CO -0.03 -0.05 0.20 0.82 0.00 0.00 0.00 179.25 180.19 3ieq h ILE 46 N 0.48 1.24 -0.19 0.00 2.04 -1.26 -1.82 117.51 118.01 3ieq h ILE 46 Ca 0.13 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.23 3ieq h ILE 46 Cb -0.01 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3ieq h ILE 46 CO -0.03 0.30 -0.06 0.74 0.00 0.00 0.00 178.15 179.11 3ieq h THR 47 N 0.84 0.79 -0.86 -0.27 2.02 -0.62 -1.02 112.91 113.79 3ieq h THR 47 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 3ieq h THR 47 Cb 0.27 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3ieq h THR 47 CO -0.01 0.00 0.55 0.44 0.37 0.00 0.00 175.52 176.87 3ieq h ASP 48 N -0.01 0.90 -0.29 4.18 5.19 -0.91 -0.41 116.42 125.06 3ieq h ASP 48 Ca 0.09 -0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 3ieq h ASP 48 Cb 0.15 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 3ieq h ASP 48 CO -0.20 0.61 -0.00 0.00 -3.12 0.00 0.00 179.24 176.52 3ieq h ALA 49 N 1.37 1.25 -0.07 3.45 0.00 -0.87 0.23 119.26 124.62 3ieq h ALA 49 Ca 0.35 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3ieq h ALA 49 Cb 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ieq h ALA 49 CO -0.13 0.50 -0.57 -0.07 0.00 0.00 0.00 179.25 178.98 3ieq h LEU 50 N 0.60 0.63 -1.03 0.00 3.38 -0.72 -0.68 115.31 117.49 3ieq h LEU 50 Ca 0.12 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.42 3ieq h LEU 50 Cb 0.39 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3ieq h LEU 50 CO 0.01 1.21 0.64 -0.26 0.09 0.00 0.00 178.44 180.13 3ieq h PHE 51 N 0.09 1.24 -0.27 1.13 0.04 -0.96 -2.27 116.94 115.93 3ieq h PHE 51 Ca -0.05 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3ieq h PHE 51 Cb 1.23 -0.42 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 3ieq h PHE 51 CO 0.12 0.78 0.12 0.78 -0.60 0.00 0.00 178.31 179.52 3ieq h GLY 52 N 1.33 0.43 1.18 -1.45 0.00 -0.41 0.20 103.07 104.35 3ieq h GLY 52 Ca 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3ieq h GLY 52 CO -0.08 0.21 0.47 0.00 0.00 0.00 0.00 176.54 177.15 3ieq h ALA 53 N 0.97 1.33 -0.00 3.60 0.00 -0.95 -1.20 119.26 123.01 3ieq h ALA 53 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ieq h ALA 53 Cb 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ieq h ALA 53 CO -0.01 0.57 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 3ieq n ALA 54 N -2.42 2.67 -3.94 0.00 0.00 -0.87 -4.65 120.51 111.30 3ieq n ALA 54 Ca 0.08 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 3ieq n ALA 54 Cb 0.07 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.04 3ieq n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ieq n ALA 55 N -0.92 -1.71 -1.04 0.00 0.00 -0.45 -4.91 120.51 111.49 3ieq n ALA 55 Ca 0.23 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.60 3ieq n ALA 55 Cb 0.14 -2.62 0.31 0.00 0.00 0.00 0.00 19.45 17.28 3ieq n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ieq n LEU 56 N -4.43 5.08 0.00 0.00 4.77 -0.02 -5.03 117.00 117.36 3ieq n LEU 56 Ca -0.16 -3.14 0.00 0.00 -0.03 0.00 0.00 56.01 52.68 3ieq n LEU 56 Cb 0.61 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3ieq n LEU 56 CO 0.76 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 178.19 3ieq n GLY 57 N -0.18 0.42 3.32 -0.72 0.00 -1.26 -4.93 105.19 101.83 3ieq n GLY 57 Ca 0.30 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 3ieq n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ieq s ASP 58 N -4.00 0.64 0.34 1.61 1.47 -1.26 -4.05 116.67 111.42 3ieq s ASP 58 Ca 0.00 -1.44 0.02 0.00 1.18 0.00 0.00 52.55 52.30 3ieq s ASP 58 Cb 0.00 0.50 0.59 0.00 -0.34 0.00 0.00 42.92 43.67 3ieq s ASP 58 CO 0.00 -1.01 1.99 -0.29 0.68 0.00 0.00 175.17 176.54 3ieq h ILE 59 N 2.37 1.15 -0.06 2.11 2.10 -1.91 -2.47 117.51 120.81 3ieq h ILE 59 Ca -0.31 -0.32 -0.11 0.00 1.08 0.00 0.00 64.86 65.21 3ieq h ILE 59 Cb 1.24 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 3ieq h ILE 59 CO 0.44 0.17 -0.46 1.23 -1.08 0.00 0.00 178.15 178.45 3ieq h GLY 60 N 0.92 0.14 1.50 8.18 0.00 -1.98 0.02 103.07 111.86 3ieq h GLY 60 Ca 0.27 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 3ieq h GLY 60 CO -0.07 0.13 -0.29 -0.09 0.00 0.00 0.00 176.54 176.22 3ieq h ARG 61 N 0.11 0.57 0.13 4.80 2.43 -1.85 -3.33 114.38 117.22 3ieq h ARG 61 Ca 0.01 -0.24 -0.36 0.00 -0.81 0.00 0.00 59.98 58.58 3ieq h ARG 61 Cb 0.85 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 3ieq h ARG 61 CO 0.07 0.80 -1.93 0.45 -1.51 0.00 0.00 179.97 177.84 3ieq h HIS 62 N 0.49 0.48 -1.88 2.20 3.86 -1.28 -3.50 115.15 115.53 3ieq h HIS 62 Ca 0.06 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3ieq h HIS 62 Cb 0.75 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.21 3ieq h HIS 62 CO 0.03 1.71 0.00 1.19 0.86 0.00 0.00 177.93 181.72 3ieq n PHE 63 N -3.47 0.00 -0.91 2.45 3.72 -0.03 -5.12 117.46 114.10 3ieq n PHE 63 Ca -0.29 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.76 3ieq n PHE 63 Cb 1.05 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.67 3ieq n PHE 63 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3ieq n ASP 74 N 0.00 -4.27 0.26 4.37 5.68 -1.26 -4.52 116.55 116.80 3ieq n ASP 74 Ca 0.00 0.21 0.14 0.00 -0.50 0.00 0.00 54.79 54.64 3ieq n ASP 74 Cb 0.00 -0.92 0.60 0.00 -1.14 0.00 0.00 41.12 39.67 3ieq n ASP 74 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3ieq h SER 75 N -1.25 0.00 0.00 -1.12 0.02 -1.96 -2.54 113.55 106.70 3ieq h SER 75 Ca -0.44 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.33 3ieq h SER 75 Cb 1.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 3ieq h SER 75 CO 0.28 0.10 -0.62 0.03 -1.14 0.00 0.00 176.83 175.48 3ieq h ARG 76 N 0.00 0.61 -0.54 3.45 3.08 -1.98 0.14 114.38 119.14 3ieq h ARG 76 Ca -0.00 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 3ieq h ARG 76 Cb 0.59 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3ieq h ARG 76 CO 0.01 1.04 0.25 0.00 -1.07 0.00 0.00 179.97 180.20 3ieq h ALA 77 N 0.86 0.70 -0.59 0.04 0.00 -1.89 0.89 119.26 119.27 3ieq h ALA 77 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3ieq h ALA 77 Cb 1.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3ieq h ALA 77 CO 0.12 0.27 0.02 -0.07 0.00 0.00 0.00 179.25 179.58 3ieq h LEU 78 N 0.72 0.98 -0.60 0.00 3.38 -1.41 -0.27 115.31 118.12 3ieq h LEU 78 Ca 0.18 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3ieq h LEU 78 Cb 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3ieq h LEU 78 CO -0.02 1.02 0.14 0.25 0.09 0.00 0.00 178.44 179.92 3ieq h LEU 79 N 0.93 0.92 -0.86 1.67 5.85 -0.67 0.15 115.31 123.30 3ieq h LEU 79 Ca 0.17 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3ieq h LEU 79 Cb 0.52 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3ieq h LEU 79 CO 0.03 0.92 0.52 0.03 -0.34 0.00 0.00 178.44 179.60 3ieq h ARG 80 N 0.88 1.16 -0.41 1.25 3.08 -0.64 -1.24 114.38 118.45 3ieq h ARG 80 Ca 0.19 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 3ieq h ARG 80 Cb 0.37 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3ieq h ARG 80 CO 0.00 0.81 -0.18 1.49 -1.07 0.00 0.00 179.97 181.03 3ieq h GLU 81 N 1.18 0.79 0.10 0.04 4.57 -0.61 -1.87 114.58 118.78 3ieq h GLU 81 Ca 0.31 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3ieq h GLU 81 Cb -0.06 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3ieq h GLU 81 CO -0.06 0.91 -0.11 0.00 -1.18 0.00 0.00 179.01 178.57 3ieq h ALA 83 N 0.63 1.28 0.16 0.00 0.00 -1.00 -0.19 119.26 120.14 3ieq h ALA 83 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ieq h ALA 83 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ieq h ALA 83 CO -0.04 0.11 -0.16 1.03 0.00 0.00 0.00 179.25 180.19 3ieq h SER 84 N 0.82 -0.42 0.15 0.00 0.87 -0.95 -1.16 113.55 112.86 3ieq h SER 84 Ca 0.43 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.98 3ieq h SER 84 Cb 0.44 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 3ieq h SER 84 CO -0.27 -0.24 -0.22 0.03 -0.53 0.00 0.00 176.83 175.60 3ieq h ARG 85 N -0.35 0.13 -0.63 2.24 3.08 -0.70 0.27 114.38 118.42 3ieq h ARG 85 Ca 0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3ieq h ARG 85 Cb 0.33 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3ieq h ARG 85 CO -0.04 0.35 0.17 0.28 -1.07 0.00 0.00 179.97 179.66 3ieq h VAL 86 N 0.12 1.25 -0.41 2.04 2.07 -0.80 -2.04 116.25 118.49 3ieq h VAL 86 Ca 0.02 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 3ieq h VAL 86 Cb 0.46 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3ieq h VAL 86 CO 0.03 0.34 -0.04 0.00 0.02 0.00 0.00 177.57 177.92 3ieq h ALA 87 N 1.06 0.56 -0.99 1.67 0.00 -0.10 -2.11 119.26 119.34 3ieq h ALA 87 Ca 0.20 -0.29 0.22 0.00 0.00 0.00 0.00 54.91 55.05 3ieq h ALA 87 Cb 0.33 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 3ieq h ALA 87 CO -0.00 0.38 0.63 1.96 0.00 0.00 0.00 179.25 182.22 3ieq h GLN 88 N 0.58 0.53 -0.00 0.00 1.08 -0.30 0.11 115.11 117.10 3ieq h GLN 88 Ca 0.11 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3ieq h GLN 88 Cb 0.54 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3ieq h GLN 88 CO 0.03 0.35 -0.05 0.00 -0.95 0.00 0.00 178.83 178.21 3ieq n ALA 89 N -2.42 2.57 -0.14 3.87 0.00 -0.78 -4.90 120.51 118.69 3ieq n ALA 89 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3ieq n ALA 89 Cb 0.72 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3ieq n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ieq n GLY 90 N 1.33 0.92 3.79 0.00 0.00 0.37 -5.09 105.19 106.51 3ieq n GLY 90 Ca 0.13 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3ieq n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ieq s PHE 91 N -2.00 3.28 -0.07 1.61 0.08 -0.82 -4.42 117.98 115.65 3ieq s PHE 91 Ca 0.00 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.24 3ieq s PHE 91 Cb 0.00 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 3ieq s PHE 91 CO 0.00 0.55 -0.06 0.00 -0.10 0.00 0.00 175.22 175.60 3ieq s ALA 92 N -1.25 3.00 -0.04 5.36 0.00 0.22 -3.89 121.76 125.17 3ieq s ALA 92 Ca 0.25 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 3ieq s ALA 92 Cb -0.12 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 3ieq s ALA 92 CO 0.16 0.57 0.97 0.42 0.00 0.00 0.00 175.76 177.88 3ieq s ILE 93 N -0.81 4.86 -0.25 0.00 1.01 -1.26 -1.25 121.20 123.50 3ieq s ILE 93 Ca 0.12 2.01 -0.18 0.00 0.00 0.00 0.00 60.65 62.60 3ieq s ILE 93 Cb -0.11 -4.30 -0.15 0.00 0.01 0.00 0.00 42.46 37.91 3ieq s ILE 93 CO 0.01 0.12 -0.09 0.54 0.00 0.00 0.00 174.94 175.52 3ieq n ARG 94 N 4.23 0.58 -3.53 2.79 5.12 0.36 -4.95 116.66 121.26 3ieq n ARG 94 Ca 0.06 0.41 -0.13 0.00 -1.93 0.00 0.00 57.85 56.27 3ieq n ARG 94 Cb 0.50 -1.61 -0.04 0.00 -1.16 0.00 0.00 32.46 30.15 3ieq n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ieq s ASN 95 N -7.18 -0.44 -0.02 0.55 4.22 -1.10 -4.84 114.94 106.13 3ieq s ASN 95 Ca -0.34 0.02 0.03 0.00 -2.14 0.00 0.00 52.86 50.42 3ieq s ASN 95 Cb 0.11 0.53 -0.00 0.00 1.28 0.00 0.00 41.25 43.16 3ieq s ASN 95 CO 0.53 -0.83 -0.10 -0.69 -2.04 0.00 0.00 177.10 173.97 3ieq s VAL 96 N -3.18 0.82 0.09 3.54 1.01 -0.36 -1.29 120.40 121.04 3ieq s VAL 96 Ca -0.01 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3ieq s VAL 96 Cb -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 3ieq s VAL 96 CO -0.08 0.25 -0.11 -0.62 0.00 0.00 0.00 175.10 174.54 3ieq s ASP 97 N 0.02 1.52 0.18 3.32 2.15 0.01 -0.94 116.67 122.93 3ieq s ASP 97 Ca -0.00 -0.76 -0.21 0.00 0.43 0.00 0.00 52.55 52.01 3ieq s ASP 97 Cb -0.07 -0.01 0.05 0.00 -0.30 0.00 0.00 42.92 42.59 3ieq s ASP 97 CO 0.00 -0.21 0.58 -0.94 -0.17 0.00 0.00 175.17 174.44 3ieq s SER 98 N -2.25 -0.43 -0.02 -0.34 1.04 -0.97 -0.39 113.70 110.34 3ieq s SER 98 Ca 0.03 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.27 3ieq s SER 98 Cb -0.05 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3ieq s SER 98 CO 0.01 -1.03 -0.04 -0.89 0.98 0.00 0.00 173.24 172.27 3ieq s THR 99 N -3.80 0.37 -0.19 2.02 2.01 -0.31 -1.33 115.64 114.41 3ieq s THR 99 Ca 0.04 -0.13 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 3ieq s THR 99 Cb -0.01 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 3ieq s THR 99 CO -0.08 0.14 0.06 -0.63 -0.69 0.00 0.00 174.62 173.42 3ieq s ILE 100 N 0.32 4.72 -0.42 1.82 1.01 0.73 -0.99 121.20 128.38 3ieq s ILE 100 Ca -0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 3ieq s ILE 100 Cb -0.07 -3.13 0.08 0.00 0.01 0.00 0.00 42.46 39.35 3ieq s ILE 100 CO -0.00 0.45 0.26 -0.63 0.00 0.00 0.00 174.94 175.01 3ieq s ILE 101 N 0.49 4.14 -0.03 2.92 1.01 0.10 -0.83 121.20 129.00 3ieq s ILE 101 Ca 0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 60.65 59.19 3ieq s ILE 101 Cb -0.13 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.80 3ieq s ILE 101 CO 0.01 -0.54 0.05 0.00 0.00 0.00 0.00 174.94 174.46 3ieq s ALA 102 N 1.40 0.14 0.14 9.38 0.00 -0.23 -2.31 121.76 130.27 3ieq s ALA 102 Ca 0.03 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 3ieq s ALA 102 Cb -0.23 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3ieq s ALA 102 CO 0.01 -0.29 1.61 0.37 0.00 0.00 0.00 175.76 177.46 3ieq h GLN 103 N 7.82 0.78 -2.94 0.00 5.75 -1.80 -3.34 115.11 121.37 3ieq h GLN 103 Ca -0.30 -0.22 -0.10 0.00 -0.15 0.00 0.00 58.65 57.87 3ieq h GLN 103 Cb 1.12 -0.08 -0.19 0.00 1.07 0.00 0.00 27.48 29.40 3ieq h GLN 103 CO 0.33 0.81 -0.20 0.00 -2.65 0.00 0.00 178.83 177.12 3ieq s ALA 104 N -5.12 -0.91 0.69 3.38 0.00 -1.26 -4.84 121.76 113.69 3ieq s ALA 104 Ca -0.13 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 3ieq s ALA 104 Cb 0.11 0.13 0.11 0.00 0.00 0.00 0.00 23.12 23.46 3ieq s ALA 104 CO 0.80 -0.31 0.71 -0.35 0.00 0.00 0.00 175.76 176.60 3ieq n PRO 105 N 1.05 -0.05 -1.70 0.00 -0.04 -1.26 -5.06 135.00 127.95 3ieq n PRO 105 Ca -0.21 -1.74 -0.42 0.00 -0.04 0.00 0.00 63.50 61.09 3ieq n PRO 105 Cb 0.57 -0.53 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 3ieq n PRO 105 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3ieq s LYS 106 N -4.34 4.14 0.04 0.54 2.47 -1.26 -4.87 119.74 116.46 3ieq s LYS 106 Ca 0.45 2.58 0.22 0.00 -1.56 0.00 0.00 55.97 57.67 3ieq s LYS 106 Cb -0.02 -4.12 -0.07 0.00 -1.46 0.00 0.00 37.83 32.16 3ieq s LYS 106 CO 0.30 -0.94 0.91 1.28 0.16 0.00 0.00 175.35 177.06 3ieq n LEU 107 N 7.42 0.56 -0.31 5.43 4.77 -1.26 -4.61 117.00 129.00 3ieq n LEU 107 Ca 0.20 -0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 3ieq n LEU 107 Cb 0.41 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.48 3ieq n LEU 107 CO 0.67 0.05 0.62 0.00 -1.33 0.00 0.00 177.39 177.40 3ieq h ALA 108 N 2.47 0.16 0.00 -1.18 0.00 -2.01 0.56 119.26 119.26 3ieq h ALA 108 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ieq h ALA 108 Cb 0.76 0.88 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3ieq h ALA 108 CO 0.00 -0.61 0.00 -0.35 0.00 0.00 0.00 179.25 178.29 3ieq n PRO 109 N -5.47 0.31 -0.00 0.00 -0.04 -1.26 -3.24 135.00 125.30 3ieq n PRO 109 Ca 0.09 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 3ieq n PRO 109 Cb 0.39 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 3ieq n PRO 109 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3ieq n HIS 110 N -1.22 0.00 -0.24 0.54 8.25 0.17 -4.70 115.22 118.01 3ieq n HIS 110 Ca 0.09 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 3ieq n HIS 110 Cb 0.12 -0.12 0.04 0.00 1.12 0.00 0.00 29.99 31.15 3ieq n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3ieq h ILE 111 N 0.00 1.24 -0.72 1.59 2.04 -1.48 -1.98 117.51 118.20 3ieq h ILE 111 Ca 0.00 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.13 3ieq h ILE 111 Cb 0.39 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3ieq h ILE 111 CO 0.00 0.29 0.48 0.44 0.00 0.00 0.00 178.15 179.36 3ieq h ASP 112 N 0.95 0.83 -0.56 1.72 3.32 -1.84 -1.09 116.42 119.75 3ieq h ASP 112 Ca 0.23 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3ieq h ASP 112 Cb 0.19 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3ieq h ASP 112 CO -0.02 0.60 0.30 0.00 -1.72 0.00 0.00 179.24 178.40 3ieq h ALA 113 N 1.26 0.72 -0.24 3.45 0.00 -1.80 -1.22 119.26 121.44 3ieq h ALA 113 Ca 0.26 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3ieq h ALA 113 Cb -0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.40 3ieq h ALA 113 CO -0.06 0.25 -0.14 0.52 0.00 0.00 0.00 179.25 179.83 3ieq h MET 114 N 0.76 -0.12 -0.41 0.00 2.86 -0.82 0.17 114.93 117.38 3ieq h MET 114 Ca 0.20 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.88 3ieq h MET 114 Cb 0.07 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3ieq h MET 114 CO -0.03 -0.08 0.21 -0.09 1.06 0.00 0.00 176.91 177.98 3ieq h ARG 115 N -0.12 0.41 -0.30 1.72 2.43 -1.08 -0.75 114.38 116.70 3ieq h ARG 115 Ca 0.13 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3ieq h ARG 115 Cb 0.32 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3ieq h ARG 115 CO -0.31 0.27 0.11 0.00 -1.51 0.00 0.00 179.97 178.53 3ieq h ALA 116 N 1.21 0.35 -0.13 2.80 0.00 -0.76 -0.55 119.26 122.18 3ieq h ALA 116 Ca 0.17 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3ieq h ALA 116 Cb 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3ieq h ALA 116 CO -0.12 -0.28 -0.13 -0.91 0.00 0.00 0.00 179.25 177.81 3ieq h ASN 117 N 0.25 -0.41 -0.27 0.00 2.35 -0.24 -1.47 115.58 115.79 3ieq h ASN 117 Ca 0.13 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3ieq h ASN 117 Cb 0.09 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3ieq h ASN 117 CO -0.12 -0.17 0.10 0.40 -1.65 0.00 0.00 177.43 175.98 3ieq h ILE 118 N -0.16 1.18 -0.93 2.81 2.04 -0.97 -1.11 117.51 120.38 3ieq h ILE 118 Ca 0.09 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.39 3ieq h ILE 118 Cb 0.29 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3ieq h ILE 118 CO -0.22 0.19 0.62 0.00 0.00 0.00 0.00 178.15 178.73 3ieq h ALA 119 N 0.93 1.35 0.02 1.87 0.00 -1.03 0.13 119.26 122.53 3ieq h ALA 119 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ieq h ALA 119 Cb 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ieq h ALA 119 CO -0.01 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3ieq h ALA 120 N 1.43 -0.02 -0.32 0.00 0.00 -0.96 0.69 119.26 120.07 3ieq h ALA 120 Ca 0.35 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3ieq h ALA 120 Cb -0.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ieq h ALA 120 CO -0.08 -0.43 0.05 -0.44 0.00 0.00 0.00 179.25 178.35 3ieq h ASP 121 N -0.18 0.44 -0.39 0.00 3.32 -0.82 -2.45 116.42 116.34 3ieq h ASP 121 Ca -0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3ieq h ASP 121 Cb 0.17 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3ieq h ASP 121 CO 0.00 0.47 0.00 0.18 -1.72 0.00 0.00 179.24 178.17 3ieq n LEU 122 N -4.33 2.52 -4.08 1.55 4.77 0.00 -4.56 117.00 112.87 3ieq n LEU 122 Ca 0.01 -1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 54.50 3ieq n LEU 122 Cb 0.20 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3ieq n LEU 122 CO 0.38 0.59 -0.30 -0.67 -1.33 0.00 0.00 177.39 176.05 3ieq n ASP 123 N 0.88 -0.81 -4.30 -1.43 2.03 -0.62 -4.98 116.55 107.31 3ieq n ASP 123 Ca 0.17 -1.15 -0.25 0.00 0.52 0.00 0.00 54.79 54.08 3ieq n ASP 123 Cb 0.43 -2.34 -0.13 0.00 -0.72 0.00 0.00 41.12 38.36 3ieq n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ieq s LEU 124 N -7.15 2.30 0.65 -2.67 1.43 0.14 -5.04 118.68 108.34 3ieq s LEU 124 Ca 0.11 -0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 3ieq s LEU 124 Cb -0.05 -0.93 -0.00 0.00 0.03 0.00 0.00 46.19 45.23 3ieq s LEU 124 CO 0.94 0.08 1.12 -2.16 0.23 0.00 0.00 176.35 176.55 3ieq s PRO 125 N -1.93 2.81 0.52 1.29 0.04 -1.26 -4.40 135.00 132.06 3ieq s PRO 125 Ca 0.08 1.43 0.25 0.00 0.04 0.00 0.00 61.00 62.80 3ieq s PRO 125 Cb -0.10 -1.95 1.36 0.00 0.04 0.00 0.00 34.50 33.85 3ieq s PRO 125 CO 0.04 -1.25 1.97 -0.07 0.04 0.00 0.00 177.00 177.73 3ieq h LEU 126 N 0.11 0.06 0.00 -3.56 3.38 -1.93 -2.02 115.31 111.35 3ieq h LEU 126 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3ieq h LEU 126 Cb 1.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3ieq h LEU 126 CO 0.54 0.03 0.00 -0.90 0.09 0.00 0.00 178.44 178.20 3ieq n ASP 127 N -4.38 0.00 -0.83 -0.43 5.75 -1.26 -2.50 116.55 112.90 3ieq n ASP 127 Ca 0.12 0.04 0.08 0.00 -0.01 0.00 0.00 54.79 55.02 3ieq n ASP 127 Cb 0.65 -0.32 0.18 0.00 -1.03 0.00 0.00 41.12 40.61 3ieq n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ieq n ARG 128 N -1.32 2.49 -4.60 0.11 1.74 -0.76 -4.94 116.66 109.38 3ieq n ARG 128 Ca 0.10 -2.10 -0.25 0.00 -0.77 0.00 0.00 57.85 54.84 3ieq n ARG 128 Cb 0.20 -1.36 -0.17 0.00 -1.02 0.00 0.00 32.46 30.11 3ieq n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ieq s VAL 129 N -1.06 1.14 0.00 1.55 1.01 -1.04 -1.22 120.40 120.79 3ieq s VAL 129 Ca 0.29 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3ieq s VAL 129 Cb 0.16 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3ieq s VAL 129 CO 0.21 0.36 -0.08 0.21 0.00 0.00 0.00 175.10 175.80 3ieq s ASN 130 N 0.63 0.90 -0.07 3.32 2.47 -0.11 -4.98 114.94 117.10 3ieq s ASN 130 Ca -0.14 -0.21 0.01 0.00 0.42 0.00 0.00 52.86 52.94 3ieq s ASN 130 Cb -0.16 -0.08 0.02 0.00 -1.45 0.00 0.00 41.25 39.59 3ieq s ASN 130 CO 0.04 0.04 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.70 3ieq s VAL 131 N -0.38 0.83 0.26 -5.21 1.01 -1.26 -2.29 120.40 113.36 3ieq s VAL 131 Ca 0.01 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 61.82 3ieq s VAL 131 Cb -0.04 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 3ieq s VAL 131 CO -0.00 0.30 -0.15 -0.54 0.00 0.00 0.00 175.10 174.71 3ieq s LYS 132 N 1.06 1.54 -0.00 2.72 1.02 -0.44 -4.98 119.74 120.66 3ieq s LYS 132 Ca -0.08 -1.72 -0.02 0.00 0.02 0.00 0.00 55.97 54.18 3ieq s LYS 132 Cb -0.14 -1.45 -0.01 0.00 -0.52 0.00 0.00 37.83 35.71 3ieq s LYS 132 CO -0.01 0.23 0.03 0.00 -0.92 0.00 0.00 175.35 174.68 3ieq s ALA 133 N -2.75 -0.06 0.03 5.17 0.00 -1.26 -0.20 121.76 122.69 3ieq s ALA 133 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3ieq s ALA 133 Cb -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 3ieq s ALA 133 CO 0.12 -0.11 -0.03 0.15 0.00 0.00 0.00 175.76 175.89 3ieq s LYS 134 N -0.77 0.38 0.76 0.00 -0.14 -0.01 -4.92 119.74 115.04 3ieq s LYS 134 Ca -0.09 -0.73 -0.06 0.00 -1.36 0.00 0.00 55.97 53.73 3ieq s LYS 134 Cb -0.05 0.10 0.11 0.00 -1.68 0.00 0.00 37.83 36.31 3ieq s LYS 134 CO -0.00 -0.05 1.06 0.95 -0.76 0.00 0.00 175.35 176.54 3ieq s THR 135 N -1.90 2.20 -0.33 2.17 -4.23 -1.25 -1.07 115.64 111.22 3ieq s THR 135 Ca -0.11 -0.36 0.09 0.00 -1.18 0.00 0.00 61.69 60.13 3ieq s THR 135 Cb -0.07 -2.84 0.65 0.00 1.34 0.00 0.00 72.50 71.58 3ieq s THR 135 CO -0.02 0.00 1.71 -3.20 -0.54 0.00 0.00 174.62 172.57 3ieq n ASN 136 N -3.03 3.91 -4.21 3.99 5.15 -1.26 -4.80 115.26 115.01 3ieq n ASN 136 Ca 0.12 -3.42 -0.33 0.00 -0.60 0.00 0.00 54.58 50.34 3ieq n ASN 136 Cb 0.60 -0.72 -0.04 0.00 -0.53 0.00 0.00 39.78 39.09 3ieq n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ieq n GLU 137 N -0.67 -2.57 -1.56 1.20 -0.58 -1.26 -0.61 120.64 114.59 3ieq n GLU 137 Ca 0.42 0.31 -0.18 0.00 -0.42 0.00 0.00 57.16 57.29 3ieq n GLU 137 Cb 1.32 -4.68 -0.07 0.00 -0.57 0.00 0.00 31.44 27.44 3ieq n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ieq n LYS 138 N -4.38 -1.41 -3.70 3.49 5.02 -1.26 -4.98 118.16 110.94 3ieq n LYS 138 Ca -0.08 1.05 -0.37 0.00 -2.02 0.00 0.00 58.31 56.88 3ieq n LYS 138 Cb 0.57 -5.40 -0.06 0.00 -0.02 0.00 0.00 35.03 30.12 3ieq n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ieq s LEU 139 N -4.44 4.41 0.00 -0.35 1.43 0.22 -4.54 118.68 115.41 3ieq s LEU 139 Ca 0.00 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 3ieq s LEU 139 Cb 0.00 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.92 3ieq s LEU 139 CO 0.00 0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.54 3ieq n GLY 140 N 2.04 -1.03 0.37 -3.19 0.00 -1.26 -0.79 105.19 101.33 3ieq n GLY 140 Ca -0.17 -1.07 0.02 0.00 0.00 0.00 0.00 46.02 44.80 3ieq n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ieq h TYR 141 N 0.00 1.17 -0.59 1.61 -0.00 -1.98 -0.95 116.97 116.23 3ieq h TYR 141 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.76 3ieq h TYR 141 Cb 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 36.73 36.31 3ieq h TYR 141 CO 0.00 0.65 0.37 -0.07 -0.00 0.00 0.00 178.16 179.11 3ieq h LEU 142 N 1.19 0.70 -1.23 0.10 3.38 -1.81 0.10 115.31 117.74 3ieq h LEU 142 Ca 0.40 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 3ieq h LEU 142 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3ieq h LEU 142 CO -0.13 0.54 -0.31 1.23 0.09 0.00 0.00 178.44 179.85 3ieq h GLY 143 N 0.80 0.00 0.41 0.83 0.00 0.22 -2.09 103.07 103.24 3ieq h GLY 143 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3ieq h GLY 143 CO -0.04 0.00 -0.03 0.54 0.00 0.00 0.00 176.54 177.01 3ieq n ARG 144 N -3.66 1.18 -2.38 4.80 1.74 -0.48 -4.44 116.66 113.43 3ieq n ARG 144 Ca -0.01 -0.42 -0.10 0.00 -0.77 0.00 0.00 57.85 56.55 3ieq n ARG 144 Cb 0.42 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.38 3ieq n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ieq n GLY 145 N 1.13 0.06 0.11 -0.13 0.00 -0.79 -4.94 105.19 100.64 3ieq n GLY 145 Ca 0.20 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.86 3ieq n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ieq n GLU 146 N -2.04 0.61 -3.96 1.61 1.02 0.01 -4.75 120.64 113.13 3ieq n GLU 146 Ca -0.08 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 3ieq n GLU 146 Cb 0.57 -1.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 3ieq n GLU 146 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ieq s GLY 147 N -4.48 0.91 -0.03 0.62 0.00 -1.23 -1.03 107.32 102.09 3ieq s GLY 147 Ca -0.01 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.60 3ieq s GLY 147 CO 0.80 -0.67 -0.03 -0.42 0.00 0.00 0.00 173.10 172.78 3ieq s ILE 148 N -2.89 0.36 0.10 0.90 1.01 -0.60 -4.60 121.20 115.49 3ieq s ILE 148 Ca 0.23 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.87 3ieq s ILE 148 Cb -0.02 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 3ieq s ILE 148 CO 0.15 0.17 0.01 -0.70 0.00 0.00 0.00 174.94 174.57 3ieq s GLU 149 N 0.72 2.56 0.03 2.79 2.12 -0.98 -2.04 118.70 123.90 3ieq s GLU 149 Ca -0.08 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.43 3ieq s GLU 149 Cb -0.11 -2.54 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 3ieq s GLU 149 CO -0.01 0.54 -0.10 0.00 -0.54 0.00 0.00 175.26 175.15 3ieq s ALA 150 N -1.35 0.84 0.07 6.30 0.00 -0.16 0.00 121.76 127.47 3ieq s ALA 150 Ca 0.26 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.65 3ieq s ALA 150 Cb -0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3ieq s ALA 150 CO 0.19 0.14 -0.22 -0.65 0.00 0.00 0.00 175.76 175.21 3ieq s GLN 151 N -0.96 1.37 -0.02 0.00 -0.21 -0.16 -1.46 119.66 118.22 3ieq s GLN 151 Ca -0.01 -1.08 -0.07 0.00 0.02 0.00 0.00 55.36 54.23 3ieq s GLN 151 Cb -0.07 -1.59 0.01 0.00 1.00 0.00 0.00 33.01 32.36 3ieq s GLN 151 CO 0.01 0.39 0.14 0.00 -2.12 0.00 0.00 175.29 173.71 3ieq s ALA 152 N -0.93 -0.35 -0.03 6.09 0.00 -0.03 -1.16 121.76 125.36 3ieq s ALA 152 Ca 0.09 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.18 3ieq s ALA 152 Cb -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3ieq s ALA 152 CO 0.03 -0.16 -0.19 0.00 0.00 0.00 0.00 175.76 175.44 3ieq s ALA 153 N -0.84 1.63 -0.02 0.00 0.00 0.48 -0.38 121.76 122.63 3ieq s ALA 153 Ca -0.09 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.07 3ieq s ALA 153 Cb -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3ieq s ALA 153 CO 0.01 0.37 -0.07 0.00 0.00 0.00 0.00 175.76 176.06 3ieq s ALA 154 N -0.30 0.71 -0.17 0.00 0.00 -0.50 -0.81 121.76 120.69 3ieq s ALA 154 Ca 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 3ieq s ALA 154 Cb -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 3ieq s ALA 154 CO 0.00 0.11 0.00 -1.17 0.00 0.00 0.00 175.76 174.70 3ieq s LEU 155 N 0.22 3.46 0.26 0.00 2.96 -0.41 -0.91 118.68 124.27 3ieq s LEU 155 Ca -0.03 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 3ieq s LEU 155 Cb -0.08 -1.85 -0.06 0.00 0.50 0.00 0.00 46.19 44.70 3ieq s LEU 155 CO 0.00 0.17 -0.01 0.68 -1.32 0.00 0.00 176.35 175.87 3ieq s VAL 156 N 0.39 1.27 0.01 1.68 -7.23 -0.53 -0.48 120.40 115.52 3ieq s VAL 156 Ca -0.01 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 3ieq s VAL 156 Cb -0.14 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 3ieq s VAL 156 CO 0.02 -0.26 -0.05 0.54 -0.31 0.00 0.00 175.10 175.04 3ieq s VAL 157 N -3.26 0.37 -2.08 1.32 0.11 -0.38 -1.02 120.40 115.46 3ieq s VAL 157 Ca 0.30 -0.49 0.31 0.00 -2.93 0.00 0.00 61.98 59.17 3ieq s VAL 157 Cb 0.06 -0.37 0.85 0.00 -1.53 0.00 0.00 36.38 35.39 3ieq s VAL 157 CO 0.11 -0.09 2.15 -1.14 -3.33 0.00 0.00 175.10 172.80