#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 5.28 -4.82 7.83 2.03 -1.26 -5.03 116.55 120.57 3ieq n ASP 2 Ca 0.00 -3.16 -0.33 0.00 0.52 0.00 0.00 54.79 51.82 3ieq n ASP 2 Cb 0.00 -1.23 -0.07 0.00 -0.72 0.00 0.00 41.12 39.10 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 -1.70 3.32 0.02 -0.67 0.08 -1.26 -0.74 117.98 117.02 3ieq s PHE 3 Ca 0.31 1.57 0.01 0.00 0.12 0.00 0.00 56.93 58.94 3ieq s PHE 3 Cb -0.05 -2.82 -0.02 0.00 -0.57 0.00 0.00 43.02 39.57 3ieq s PHE 3 CO -0.05 -0.10 -0.05 1.03 -0.10 0.00 0.00 175.22 175.95 3ieq s ARG 4 N -3.18 0.37 0.07 0.44 1.81 0.14 -4.95 118.95 113.65 3ieq s ARG 4 Ca 0.61 -0.50 0.05 0.00 -1.72 0.00 0.00 55.73 54.17 3ieq s ARG 4 Cb -0.09 -0.16 -0.04 0.00 -0.45 0.00 0.00 34.95 34.21 3ieq s ARG 4 CO 0.14 0.03 -0.07 0.96 -0.68 0.00 0.00 175.30 175.68 3ieq s ILE 5 N -0.98 3.61 0.12 1.52 -4.36 -1.26 -1.09 121.20 118.76 3ieq s ILE 5 Ca -0.08 -1.06 0.04 0.00 -0.26 0.00 0.00 60.65 59.29 3ieq s ILE 5 Cb -0.07 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 3ieq s ILE 5 CO -0.00 0.19 -0.10 -0.83 0.24 0.00 0.00 174.94 174.44 3ieq s GLY 6 N -2.02 0.97 0.08 6.27 0.00 0.09 -3.98 107.32 108.74 3ieq s GLY 6 Ca 0.21 -1.35 0.03 0.00 0.00 0.00 0.00 44.72 43.61 3ieq s GLY 6 CO 0.13 -1.43 -0.08 -0.86 0.00 0.00 0.00 173.10 170.86 3ieq s GLN 7 N -3.27 0.76 0.01 2.90 1.03 -1.26 -0.88 119.66 118.96 3ieq s GLN 7 Ca 0.11 -1.12 -0.06 0.00 0.04 0.00 0.00 55.36 54.33 3ieq s GLN 7 Cb -0.00 -0.35 -0.00 0.00 0.03 0.00 0.00 33.01 32.69 3ieq s GLN 7 CO 0.00 0.04 0.11 0.20 -2.54 0.00 0.00 175.29 173.10 3ieq s GLY 8 N -2.44 0.09 -0.01 2.60 0.00 -0.14 -3.70 107.32 103.71 3ieq s GLY 8 Ca 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 44.72 44.46 3ieq s GLY 8 CO -0.02 -0.38 0.08 -0.47 0.00 0.00 0.00 173.10 172.31 3ieq s TYR 9 N -1.56 0.01 0.08 1.90 6.14 -1.26 -1.43 117.35 121.22 3ieq s TYR 9 Ca -0.14 -0.01 -0.19 0.00 0.64 0.00 0.00 57.07 57.37 3ieq s TYR 9 Cb -0.07 -0.03 0.04 0.00 0.42 0.00 0.00 41.96 42.32 3ieq s TYR 9 CO 0.00 -0.14 0.46 0.34 0.64 0.00 0.00 175.55 176.85 3ieq s ASP 10 N -0.64 -0.34 -0.10 4.32 2.15 -0.92 -4.57 116.67 116.57 3ieq s ASP 10 Ca -0.07 -0.05 -0.17 0.00 0.43 0.00 0.00 52.55 52.69 3ieq s ASP 10 Cb -0.04 0.48 0.04 0.00 -0.30 0.00 0.00 42.92 43.09 3ieq s ASP 10 CO 0.00 -0.77 0.43 0.54 -0.17 0.00 0.00 175.17 175.20 3ieq s VAL 11 N -3.02 0.02 0.01 1.11 0.11 -1.26 -1.31 120.40 116.05 3ieq s VAL 11 Ca -0.02 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 58.83 3ieq s VAL 11 Cb 0.00 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3ieq s VAL 11 CO -0.06 -0.09 0.03 -1.00 -3.33 0.00 0.00 175.10 170.65 3ieq s HIS 12 N -0.51 0.16 0.49 1.54 3.76 -0.94 -5.01 115.29 114.78 3ieq s HIS 12 Ca -0.06 -0.35 -0.22 0.00 -0.15 0.00 0.00 55.06 54.28 3ieq s HIS 12 Cb -0.03 -0.13 -0.07 0.00 1.11 0.00 0.00 32.58 33.46 3ieq s HIS 12 CO 0.03 -0.21 1.16 -0.65 -0.85 0.00 0.00 174.74 174.21 3ieq s GLN 13 N -1.34 3.60 -0.31 1.40 -0.21 -1.26 -1.63 119.66 119.91 3ieq s GLN 13 Ca -0.15 1.72 0.01 0.00 0.02 0.00 0.00 55.36 56.97 3ieq s GLN 13 Cb -0.09 -2.26 0.07 0.00 1.00 0.00 0.00 33.01 31.74 3ieq s GLN 13 CO -0.00 -0.67 0.00 -1.17 -2.12 0.00 0.00 175.29 171.33 3ieq s LEU 14 N -3.31 4.14 0.07 2.90 2.96 0.44 -2.18 118.68 123.69 3ieq s LEU 14 Ca 0.67 -1.62 0.01 0.00 -0.22 0.00 0.00 54.13 52.97 3ieq s LEU 14 Cb -0.27 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3ieq s LEU 14 CO 0.32 -0.30 -0.06 0.68 -1.32 0.00 0.00 176.35 175.67 3ieq s VAL 15 N 1.11 0.51 0.46 1.68 -7.23 -0.79 -4.55 120.40 111.59 3ieq s VAL 15 Ca -0.01 -1.58 -0.24 0.00 -1.81 0.00 0.00 61.98 58.34 3ieq s VAL 15 Cb -0.20 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.44 3ieq s VAL 15 CO -0.04 -0.72 1.28 -2.65 -0.31 0.00 0.00 175.10 172.65 3ieq n PRO 16 N 0.56 1.83 0.00 4.82 -0.02 -1.26 -1.13 135.00 139.81 3ieq n PRO 16 Ca -0.17 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3ieq n PRO 16 Cb 0.59 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3ieq n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ieq n GLY 17 N 0.81 1.10 3.18 -1.23 0.00 -1.26 -4.86 105.19 102.94 3ieq n GLY 17 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.15 0.86 0.71 1.61 1.81 -1.26 -5.01 118.95 117.53 3ieq s ARG 18 Ca 0.00 -1.20 -0.12 0.00 -1.72 0.00 0.00 55.73 52.69 3ieq s ARG 18 Cb 0.00 -0.50 0.02 0.00 -0.45 0.00 0.00 34.95 34.02 3ieq s ARG 18 CO 0.00 0.07 1.08 -1.25 -0.68 0.00 0.00 175.30 174.52 3ieq s PRO 19 N -2.99 2.68 -0.42 3.54 0.04 -1.26 -2.83 135.00 133.77 3ieq s PRO 19 Ca 0.07 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 3ieq s PRO 19 Cb -0.01 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.61 3ieq s PRO 19 CO -0.00 -1.31 0.30 -1.17 0.04 0.00 0.00 177.00 174.85 3ieq s LEU 20 N -5.51 5.14 -0.21 -3.56 2.96 -1.26 -2.67 118.68 113.57 3ieq s LEU 20 Ca 0.61 -1.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3ieq s LEU 20 Cb -0.16 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.45 3ieq s LEU 20 CO 0.52 -0.49 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.30 3ieq s ILE 21 N 1.62 1.93 -0.06 6.68 1.01 -1.26 0.03 121.20 131.15 3ieq s ILE 21 Ca 0.04 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.51 3ieq s ILE 21 Cb -0.21 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3ieq s ILE 21 CO 0.08 0.21 -0.10 -0.63 0.00 0.00 0.00 174.94 174.49 3ieq s ILE 22 N 1.27 0.97 -1.46 2.92 1.01 -0.49 -4.15 121.20 121.26 3ieq s ILE 22 Ca -0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 3ieq s ILE 22 Cb -0.17 -0.91 0.05 0.00 0.01 0.00 0.00 42.46 41.45 3ieq s ILE 22 CO -0.08 0.32 0.96 0.61 0.00 0.00 0.00 174.94 176.75 3ieq n GLY 23 N 3.87 -0.52 2.63 6.18 0.00 -1.26 -1.48 105.19 114.61 3ieq n GLY 23 Ca -0.24 0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.73 0.56 3.40 -0.02 0.00 -1.26 -4.24 105.19 101.89 3ieq n GLY 24 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.44 3.51 -0.18 1.61 1.01 -0.55 -5.04 120.40 118.32 3ieq s VAL 25 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 3ieq s VAL 25 Cb 0.00 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3ieq s VAL 25 CO 0.00 0.48 0.88 -0.89 0.00 0.00 0.00 175.10 175.56 3ieq s THR 26 N 0.74 4.84 -0.20 3.92 2.01 -1.26 -1.39 115.64 124.29 3ieq s THR 26 Ca -0.03 1.72 -0.02 0.00 0.31 0.00 0.00 61.69 63.68 3ieq s THR 26 Cb -0.15 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.19 3ieq s THR 26 CO 0.02 -0.01 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.20 3ieq s ILE 27 N 2.34 2.86 -0.09 1.82 1.01 0.10 -5.00 121.20 124.25 3ieq s ILE 27 Ca 0.40 -0.67 -0.33 0.00 0.00 0.00 0.00 60.65 60.05 3ieq s ILE 27 Cb -0.16 -2.27 -0.11 0.00 0.01 0.00 0.00 42.46 39.93 3ieq s ILE 27 CO 0.12 0.47 1.94 -0.81 0.00 0.00 0.00 174.94 176.66 3ieq n PRO 28 N 4.72 2.25 -3.55 2.79 -0.04 -1.26 -4.11 135.00 135.80 3ieq n PRO 28 Ca -0.19 0.81 -0.15 0.00 -0.04 0.00 0.00 63.50 63.93 3ieq n PRO 28 Cb 0.51 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 3ieq n PRO 28 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3ieq s TYR 29 N 4.62 -0.56 -1.48 0.54 5.04 -1.26 -5.01 117.35 119.23 3ieq s TYR 29 Ca 0.93 1.02 0.12 0.00 -2.44 0.00 0.00 57.07 56.71 3ieq s TYR 29 Cb -0.62 0.41 0.60 0.00 0.35 0.00 0.00 41.96 42.70 3ieq s TYR 29 CO 0.49 -0.48 1.27 -0.85 -1.34 0.00 0.00 175.55 174.63 3ieq n GLU 30 N 1.06 0.18 -4.25 4.97 0.28 -1.26 -4.73 120.64 116.90 3ieq n GLU 30 Ca -0.15 0.16 -0.14 0.00 -0.16 0.00 0.00 57.16 56.87 3ieq n GLU 30 Cb 0.57 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.84 3ieq n GLU 30 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3ieq s ARG 31 N -2.52 1.16 0.22 3.44 0.52 -1.26 -4.19 118.95 116.32 3ieq s ARG 31 Ca 0.12 -1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 53.63 3ieq s ARG 31 Cb 0.08 -0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.34 3ieq s ARG 31 CO 0.17 -0.19 0.42 0.20 0.02 0.00 0.00 175.30 175.93 3ieq s GLY 32 N -3.19 0.52 -0.16 -3.53 0.00 -0.28 -4.21 107.32 96.47 3ieq s GLY 32 Ca 0.27 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.99 3ieq s GLY 32 CO 0.06 -0.68 0.26 1.08 0.00 0.00 0.00 173.10 173.82 3ieq s LEU 33 N -3.00 4.25 -1.33 0.66 1.43 -1.09 -1.89 118.68 117.69 3ieq s LEU 33 Ca 0.21 0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 53.60 3ieq s LEU 33 Cb 0.01 -2.31 0.06 0.00 0.03 0.00 0.00 46.19 43.98 3ieq s LEU 33 CO 0.06 0.13 1.85 0.18 0.23 0.00 0.00 176.35 178.80 3ieq n LEU 34 N 3.47 5.36 0.22 1.79 4.77 -0.92 -4.69 117.00 127.00 3ieq n LEU 34 Ca -0.13 -3.97 0.00 0.00 -0.03 0.00 0.00 56.01 51.89 3ieq n LEU 34 Cb 0.52 -1.73 0.01 0.00 -2.33 0.00 0.00 43.42 39.89 3ieq n LEU 34 CO 0.39 0.36 0.83 -2.24 -1.33 0.00 0.00 177.39 175.39 3ieq h ASP 38 N 7.23 0.00 -3.43 -1.43 3.04 -1.99 -3.42 116.42 116.43 3ieq h ASP 38 Ca 0.48 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.96 3ieq h ASP 38 Cb 0.82 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 39.15 3ieq h ASP 38 CO 1.55 0.00 -0.46 0.00 -2.04 0.00 0.00 179.24 178.30 3ieq n ALA 39 N -1.33 -0.72 -2.30 4.15 0.00 -1.26 -4.65 120.51 114.40 3ieq n ALA 39 Ca -0.00 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 3ieq n ALA 39 Cb 0.82 -3.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.21 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 -2.75 5.80 0.27 0.00 -1.08 -1.26 -4.85 116.67 112.80 3ieq s ASP 40 Ca 0.22 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.22 3ieq s ASP 40 Cb -0.10 -2.56 0.54 0.00 -1.46 0.00 0.00 42.92 39.34 3ieq s ASP 40 CO 0.27 -2.14 1.79 -0.37 0.52 0.00 0.00 175.17 175.24 3ieq h VAL 41 N 7.03 0.81 0.03 1.11 -1.51 -1.92 -1.98 116.25 119.82 3ieq h VAL 41 Ca 0.14 -0.27 -0.00 0.00 -1.23 0.00 0.00 66.70 65.34 3ieq h VAL 41 Cb 1.01 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 3ieq h VAL 41 CO 1.32 0.14 -0.01 0.25 -1.23 0.00 0.00 177.57 178.03 3ieq h LEU 42 N 0.78 -0.04 -0.85 4.19 5.85 -1.90 -1.85 115.31 121.49 3ieq h LEU 42 Ca 0.48 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.93 3ieq h LEU 42 Cb 0.59 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3ieq h LEU 42 CO -0.32 0.16 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.82 3ieq h LEU 43 N -0.23 0.78 -0.11 2.25 3.38 -1.87 -2.12 115.31 117.37 3ieq h LEU 43 Ca -0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3ieq h LEU 43 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ieq h LEU 43 CO 0.01 0.88 0.08 0.45 0.09 0.00 0.00 178.44 179.94 3ieq h HIS 44 N 0.73 0.14 -0.58 1.13 3.86 -1.31 0.03 115.15 119.16 3ieq h HIS 44 Ca 0.13 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.40 3ieq h HIS 44 Cb 0.53 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 3ieq h HIS 44 CO 0.03 0.09 0.29 0.00 0.86 0.00 0.00 177.93 179.21 3ieq h ALA 45 N 1.04 0.75 -0.58 2.45 0.00 -1.14 -0.24 119.26 121.53 3ieq h ALA 45 Ca 0.04 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3ieq h ALA 45 Cb -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ieq h ALA 45 CO -0.01 -0.05 0.07 0.82 0.00 0.00 0.00 179.25 180.07 3ieq h ILE 46 N 0.55 1.26 -0.10 0.00 2.04 -1.26 -1.33 117.51 118.68 3ieq h ILE 46 Ca 0.26 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.10 3ieq h ILE 46 Cb 0.18 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3ieq h ILE 46 CO -0.18 0.38 0.01 0.74 0.00 0.00 0.00 178.15 179.09 3ieq h THR 47 N 0.88 0.94 -0.69 -0.27 2.02 -0.47 -0.80 112.91 114.52 3ieq h THR 47 Ca 0.17 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.37 3ieq h THR 47 Cb 0.46 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3ieq h THR 47 CO 0.02 0.01 0.43 0.44 0.37 0.00 0.00 175.52 176.79 3ieq h ASP 48 N 0.04 0.71 -0.96 4.18 3.45 -0.98 -1.16 116.42 121.70 3ieq h ASP 48 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3ieq h ASP 48 Cb 0.05 -0.15 -0.05 0.00 -0.56 0.00 0.00 39.33 38.62 3ieq h ASP 48 CO -0.07 0.49 0.62 0.00 -1.57 0.00 0.00 179.24 178.70 3ieq h ALA 49 N 1.30 1.22 -0.29 3.45 0.00 -0.86 0.12 119.26 124.20 3ieq h ALA 49 Ca 0.28 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3ieq h ALA 49 Cb 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3ieq h ALA 49 CO -0.11 0.64 -0.02 -0.07 0.00 0.00 0.00 179.25 179.69 3ieq h LEU 50 N 1.31 0.52 -0.88 0.00 3.38 -0.70 -0.72 115.31 118.22 3ieq h LEU 50 Ca 0.35 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3ieq h LEU 50 Cb -0.12 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3ieq h LEU 50 CO -0.07 0.72 0.11 -0.26 0.09 0.00 0.00 178.44 179.03 3ieq h PHE 51 N 0.30 0.98 -0.10 1.13 0.04 -1.00 -2.47 116.94 115.83 3ieq h PHE 51 Ca 0.08 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 3ieq h PHE 51 Cb 0.47 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 3ieq h PHE 51 CO 0.04 0.83 0.06 0.78 -0.60 0.00 0.00 178.31 179.42 3ieq h GLY 52 N 1.02 0.14 0.90 -1.45 0.00 -0.66 0.24 103.07 103.26 3ieq h GLY 52 Ca 0.18 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.49 3ieq h GLY 52 CO 0.01 0.06 0.62 0.00 0.00 0.00 0.00 176.54 177.23 3ieq h ALA 53 N 0.99 1.25 -0.00 3.60 0.00 -1.01 -1.86 119.26 122.24 3ieq h ALA 53 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ieq h ALA 53 Cb 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3ieq h ALA 53 CO -0.01 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 3ieq n ALA 54 N -2.36 2.62 -3.63 0.00 0.00 -0.94 -4.63 120.51 111.57 3ieq n ALA 54 Ca 0.12 -0.20 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 3ieq n ALA 54 Cb 0.08 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.07 -1.93 -1.34 0.00 0.00 -0.27 -4.94 120.51 110.94 3ieq n ALA 55 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3ieq n ALA 55 Cb 0.22 -2.43 0.21 0.00 0.00 0.00 0.00 19.45 17.45 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 -4.29 3.80 0.00 0.00 4.77 -0.09 -5.03 117.00 116.15 3ieq n LEU 56 Ca -0.26 -3.58 0.00 0.00 -0.03 0.00 0.00 56.01 52.14 3ieq n LEU 56 Cb 0.66 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3ieq n LEU 56 CO 0.66 1.11 0.00 0.61 -1.33 0.00 0.00 177.39 178.44 3ieq n GLY 57 N -1.03 0.52 3.38 -0.72 0.00 -1.26 -4.91 105.19 101.17 3ieq n GLY 57 Ca 0.28 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 0.62 0.24 1.61 1.47 -1.26 -4.19 116.67 111.16 3ieq s ASP 58 Ca 0.00 -1.40 -0.05 0.00 1.18 0.00 0.00 52.55 52.28 3ieq s ASP 58 Cb 0.00 0.54 0.36 0.00 -0.34 0.00 0.00 42.92 43.49 3ieq s ASP 58 CO 0.00 -1.08 1.82 -0.29 0.68 0.00 0.00 175.17 176.30 3ieq h ILE 59 N 2.30 0.95 -0.02 2.11 2.10 -1.90 -2.08 117.51 120.97 3ieq h ILE 59 Ca -0.30 -0.28 -0.07 0.00 1.08 0.00 0.00 64.86 65.29 3ieq h ILE 59 Cb 1.24 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.02 3ieq h ILE 59 CO 0.42 0.15 -0.32 1.23 -1.08 0.00 0.00 178.15 178.55 3ieq h GLY 60 N 0.82 0.04 1.76 8.18 0.00 -1.98 0.11 103.07 112.00 3ieq h GLY 60 Ca 0.38 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.53 3ieq h GLY 60 CO -0.22 0.03 -0.64 3.21 0.00 0.00 0.00 176.54 178.91 3ieq h ARG 61 N 0.03 0.24 0.09 4.80 3.08 -1.79 -3.32 114.38 117.51 3ieq h ARG 61 Ca 0.00 -0.18 -0.16 0.00 0.07 0.00 0.00 59.98 59.72 3ieq h ARG 61 Cb 0.58 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.67 3ieq h ARG 61 CO 0.04 0.80 -0.76 0.45 -1.07 0.00 0.00 179.97 179.43 3ieq h HIS 62 N 0.17 0.34 -3.25 3.04 3.86 -1.16 -3.43 115.15 114.72 3ieq h HIS 62 Ca -0.01 -0.25 -0.64 0.00 -1.16 0.00 0.00 60.37 58.31 3ieq h HIS 62 Cb 1.16 -0.01 -0.41 0.00 1.06 0.00 0.00 27.41 29.21 3ieq h HIS 62 CO 0.02 1.29 -0.54 -0.06 0.86 0.00 0.00 177.93 179.51 3ieq s PHE 63 N -2.38 3.44 0.45 2.45 0.08 0.34 -5.08 117.98 117.28 3ieq s PHE 63 Ca -0.17 -3.21 -0.23 0.00 0.12 0.00 0.00 56.93 53.44 3ieq s PHE 63 Cb 0.01 -2.84 -0.08 0.00 -0.57 0.00 0.00 43.02 39.55 3ieq s PHE 63 CO 0.76 -0.66 1.13 0.45 -0.10 0.00 0.00 175.22 176.80 3ieq s SER 64 N -0.74 6.28 0.41 1.36 0.15 -1.25 -4.61 113.70 115.31 3ieq s SER 64 Ca 0.21 2.21 0.15 0.00 0.70 0.00 0.00 55.95 59.23 3ieq s SER 64 Cb -0.14 -2.59 1.02 0.00 -1.71 0.00 0.00 66.02 62.60 3ieq s SER 64 CO -0.09 -0.83 1.90 -0.78 1.20 0.00 0.00 173.24 174.64 3ieq h ASP 65 N 2.06 0.43 0.40 5.45 3.58 -1.98 -2.85 116.42 123.52 3ieq h ASP 65 Ca -0.49 0.03 -0.28 0.00 0.42 0.00 0.00 57.03 56.71 3ieq h ASP 65 Cb 1.24 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.18 3ieq h ASP 65 CO 0.60 0.21 -1.82 0.35 -2.88 0.00 0.00 179.24 175.71 3ieq n THR 66 N -4.50 1.43 -1.70 2.25 -2.24 -1.26 -4.97 114.28 103.30 3ieq n THR 66 Ca 0.16 -0.78 -0.64 0.00 -2.27 0.00 0.00 64.05 60.52 3ieq n THR 66 Cb 0.55 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.87 3ieq n THR 66 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ieq n ASP 67 N -2.92 1.60 -0.18 3.42 -0.08 -1.08 -4.85 116.55 112.47 3ieq n ASP 67 Ca -0.19 1.10 0.12 0.00 -1.51 0.00 0.00 54.79 54.32 3ieq n ASP 67 Cb 1.02 -0.98 0.45 0.00 2.34 0.00 0.00 41.12 43.95 3ieq n ASP 67 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ieq h PRO 68 N 6.18 0.52 0.00 -0.67 0.11 -1.93 -2.34 132.00 133.88 3ieq h PRO 68 Ca -0.42 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3ieq h PRO 68 Cb 1.35 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ieq h PRO 68 CO 0.98 0.35 -0.07 0.00 -0.21 0.00 0.00 178.00 179.04 3ieq h ARG 69 N 0.54 0.00 -5.28 1.05 -0.00 -1.97 -3.51 114.38 105.22 3ieq h ARG 69 Ca 0.36 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 59.28 3ieq h ARG 69 Cb 0.67 0.00 -0.31 0.00 0.00 0.00 0.00 29.97 30.33 3ieq h ARG 69 CO -0.13 0.07 -0.84 -0.06 0.00 0.00 0.00 179.97 179.02 3ieq s PHE 70 N -3.89 1.73 0.00 3.04 0.08 -0.88 -5.16 117.98 112.90 3ieq s PHE 70 Ca -0.01 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.53 3ieq s PHE 70 Cb 0.11 -1.17 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 3ieq s PHE 70 CO 0.55 -0.18 0.00 0.00 -0.10 0.00 0.00 175.22 175.49 3ieq n ALA 73 N 3.18 0.00 -2.11 5.36 0.00 -1.26 -4.95 120.51 120.73 3ieq n ALA 73 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 3ieq n ALA 73 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.01 3ieq n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3ieq s ASP 74 N 0.00 5.53 0.58 0.00 1.47 -1.26 -4.86 116.67 118.13 3ieq s ASP 74 Ca 0.00 0.53 0.30 0.00 1.18 0.00 0.00 52.55 54.56 3ieq s ASP 74 Cb 0.00 -1.53 1.77 0.00 -0.34 0.00 0.00 42.92 42.82 3ieq s ASP 74 CO 0.00 -1.05 2.22 0.28 0.68 0.00 0.00 175.17 177.29 3ieq h SER 75 N -0.08 0.00 -0.13 2.11 0.02 -1.98 -0.90 113.55 112.59 3ieq h SER 75 Ca -0.45 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.32 3ieq h SER 75 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 3ieq h SER 75 CO 0.59 0.03 -0.57 0.03 -1.14 0.00 0.00 176.83 175.77 3ieq h ARG 76 N 0.00 0.73 -0.66 3.45 3.08 -1.97 -0.74 114.38 118.27 3ieq h ARG 76 Ca -0.00 -0.47 -0.06 0.00 0.07 0.00 0.00 59.98 59.51 3ieq h ARG 76 Cb 0.08 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3ieq h ARG 76 CO 0.00 1.10 0.17 0.00 -1.07 0.00 0.00 179.97 180.18 3ieq h ALA 77 N 0.80 0.87 -0.47 0.04 0.00 -1.57 -1.95 119.26 116.98 3ieq h ALA 77 Ca 0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3ieq h ALA 77 Cb 1.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3ieq h ALA 77 CO 0.12 0.57 -0.15 -0.07 0.00 0.00 0.00 179.25 179.72 3ieq h LEU 78 N 0.97 0.90 -0.45 0.00 3.38 -1.32 -1.92 115.31 116.87 3ieq h LEU 78 Ca 0.21 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ieq h LEU 78 Cb 0.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3ieq h LEU 78 CO -0.00 1.04 0.29 0.25 0.09 0.00 0.00 178.44 180.11 3ieq h LEU 79 N 0.79 0.52 -0.70 1.67 5.85 -0.96 0.68 115.31 123.16 3ieq h LEU 79 Ca 0.12 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3ieq h LEU 79 Cb 0.68 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3ieq h LEU 79 CO 0.05 0.40 0.46 0.03 -0.34 0.00 0.00 178.44 179.04 3ieq h ARG 80 N 0.60 0.91 -0.55 1.25 3.08 -1.15 -0.62 114.38 117.90 3ieq h ARG 80 Ca 0.16 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 3ieq h ARG 80 Cb -0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 3ieq h ARG 80 CO -0.03 0.60 -0.11 1.49 -1.07 0.00 0.00 179.97 180.85 3ieq h GLU 81 N 0.93 1.04 -0.50 0.04 4.57 -1.18 -1.91 114.58 117.58 3ieq h GLU 81 Ca 0.26 -0.39 0.08 0.00 -1.18 0.00 0.00 59.36 58.13 3ieq h GLU 81 Cb -0.09 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.37 3ieq h GLU 81 CO -0.06 1.08 0.12 0.00 -1.18 0.00 0.00 179.01 178.97 3ieq h ALA 83 N 1.37 1.18 -0.52 0.00 0.00 -0.87 -0.09 119.26 120.33 3ieq h ALA 83 Ca 0.25 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3ieq h ALA 83 Cb 0.32 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ieq h ALA 83 CO -0.30 0.55 -0.10 1.03 0.00 0.00 0.00 179.25 180.43 3ieq h SER 84 N 0.78 1.00 -0.32 0.00 0.87 -0.97 -0.14 113.55 114.76 3ieq h SER 84 Ca 0.17 -0.35 -0.09 0.00 -1.23 0.00 0.00 61.79 60.28 3ieq h SER 84 Cb 0.34 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3ieq h SER 84 CO 0.00 1.11 -0.13 0.03 -0.53 0.00 0.00 176.83 177.32 3ieq h ARG 85 N 0.86 0.76 -0.15 2.24 3.08 -0.86 -1.22 114.38 119.09 3ieq h ARG 85 Ca 0.14 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3ieq h ARG 85 Cb 0.66 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3ieq h ARG 85 CO 0.05 0.85 0.01 0.28 -1.07 0.00 0.00 179.97 180.08 3ieq h VAL 86 N 0.68 1.24 -0.60 2.04 2.07 -0.87 -1.94 116.25 118.87 3ieq h VAL 86 Ca 0.11 -0.80 0.11 0.00 0.82 0.00 0.00 66.70 66.94 3ieq h VAL 86 Cb 0.60 1.48 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 3ieq h VAL 86 CO 0.04 0.24 0.16 0.00 0.02 0.00 0.00 177.57 178.02 3ieq h ALA 87 N 0.78 0.74 -0.06 1.67 0.00 -0.87 -2.39 119.26 119.12 3ieq h ALA 87 Ca 0.04 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3ieq h ALA 87 Cb 0.35 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ieq h ALA 87 CO 0.01 -0.28 -0.32 1.96 0.00 0.00 0.00 179.25 180.62 3ieq h GLN 88 N 0.30 0.12 0.00 0.00 1.08 -1.07 -0.72 115.11 114.82 3ieq h GLN 88 Ca 0.32 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3ieq h GLN 88 Cb 0.45 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3ieq h GLN 88 CO -0.38 0.43 0.00 0.00 -0.95 0.00 0.00 178.83 177.94 3ieq n ALA 89 N -2.48 1.62 0.00 3.87 0.00 -0.74 -4.86 120.51 117.92 3ieq n ALA 89 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3ieq n ALA 89 Cb 0.39 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.16 1.08 3.59 0.00 0.00 -0.28 -5.10 105.19 104.32 3ieq n GLY 90 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 3.03 -0.15 1.61 0.08 -0.94 -4.41 117.98 115.20 3ieq s PHE 91 Ca 0.00 -0.01 -0.07 0.00 0.12 0.00 0.00 56.93 56.97 3ieq s PHE 91 Cb 0.00 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 3ieq s PHE 91 CO 0.00 0.28 0.09 0.00 -0.10 0.00 0.00 175.22 175.48 3ieq s ALA 92 N -0.52 3.58 -0.06 5.36 0.00 0.02 -3.66 121.76 126.47 3ieq s ALA 92 Ca 0.08 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 3ieq s ALA 92 Cb -0.12 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 3ieq s ALA 92 CO 0.02 0.39 1.05 0.42 0.00 0.00 0.00 175.76 177.64 3ieq s ILE 93 N -0.31 4.65 -0.20 0.00 1.01 -1.26 -1.23 121.20 123.85 3ieq s ILE 93 Ca 0.09 1.92 -0.09 0.00 0.00 0.00 0.00 60.65 62.57 3ieq s ILE 93 Cb -0.12 -4.23 -0.20 0.00 0.01 0.00 0.00 42.46 37.92 3ieq s ILE 93 CO 0.01 0.05 0.06 0.54 0.00 0.00 0.00 174.94 175.60 3ieq n ARG 94 N 4.69 0.66 -3.54 2.79 5.12 0.21 -4.97 116.66 121.62 3ieq n ARG 94 Ca 0.08 0.31 -0.08 0.00 -1.93 0.00 0.00 57.85 56.23 3ieq n ARG 94 Cb 0.49 -1.63 -0.02 0.00 -1.16 0.00 0.00 32.46 30.13 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 -6.95 -0.36 -0.03 0.55 4.22 -1.10 -4.86 114.94 106.41 3ieq s ASN 95 Ca -0.30 -0.08 0.02 0.00 -2.14 0.00 0.00 52.86 50.36 3ieq s ASN 95 Cb 0.08 0.44 0.01 0.00 1.28 0.00 0.00 41.25 43.06 3ieq s ASN 95 CO 0.64 -0.74 -0.08 -0.69 -2.04 0.00 0.00 177.10 174.19 3ieq s VAL 96 N -3.26 0.72 0.12 3.54 1.01 -0.09 -1.83 120.40 120.61 3ieq s VAL 96 Ca 0.06 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3ieq s VAL 96 Cb -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 3ieq s VAL 96 CO -0.07 0.24 -0.13 -0.62 0.00 0.00 0.00 175.10 174.51 3ieq s ASP 97 N 0.33 1.91 0.17 3.32 2.15 -0.58 -0.94 116.67 123.03 3ieq s ASP 97 Ca -0.05 -0.81 -0.21 0.00 0.43 0.00 0.00 52.55 51.91 3ieq s ASP 97 Cb -0.10 -0.06 0.05 0.00 -0.30 0.00 0.00 42.92 42.52 3ieq s ASP 97 CO 0.01 -0.16 0.57 -0.94 -0.17 0.00 0.00 175.17 174.48 3ieq s SER 98 N -2.44 -0.45 -0.02 -0.34 1.04 -0.96 -0.86 113.70 109.67 3ieq s SER 98 Ca 0.08 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.35 3ieq s SER 98 Cb -0.05 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3ieq s SER 98 CO 0.03 -1.00 -0.02 -0.89 0.98 0.00 0.00 173.24 172.33 3ieq s THR 99 N -3.79 0.26 -0.22 2.02 2.01 0.46 -0.82 115.64 115.57 3ieq s THR 99 Ca 0.03 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 3ieq s THR 99 Cb -0.01 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 3ieq s THR 99 CO -0.10 0.12 0.05 -0.63 -0.69 0.00 0.00 174.62 173.37 3ieq s ILE 100 N 0.46 4.34 -0.35 1.82 1.01 0.68 -0.42 121.20 128.73 3ieq s ILE 100 Ca -0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 3ieq s ILE 100 Cb -0.08 -2.99 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 3ieq s ILE 100 CO -0.01 0.40 0.22 -0.63 0.00 0.00 0.00 174.94 174.92 3ieq s ILE 101 N 1.10 4.98 -0.19 2.92 1.01 0.14 -0.77 121.20 130.39 3ieq s ILE 101 Ca 0.04 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.14 3ieq s ILE 101 Cb -0.14 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 38.77 3ieq s ILE 101 CO 0.03 -0.08 0.44 0.00 0.00 0.00 0.00 174.94 175.32 3ieq s ALA 102 N 1.66 -1.15 0.31 9.38 0.00 0.04 -1.65 121.76 130.35 3ieq s ALA 102 Ca 0.05 1.60 0.07 0.00 0.00 0.00 0.00 51.96 53.68 3ieq s ALA 102 Cb -0.18 -1.07 0.50 0.00 0.00 0.00 0.00 23.12 22.37 3ieq s ALA 102 CO 0.09 -0.39 1.73 0.37 0.00 0.00 0.00 175.76 177.56 3ieq h GLN 103 N 7.36 0.25 -2.51 0.00 5.75 -1.79 -3.35 115.11 120.82 3ieq h GLN 103 Ca -0.31 -0.11 0.06 0.00 -0.15 0.00 0.00 58.65 58.14 3ieq h GLN 103 Cb 1.17 -0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.57 3ieq h GLN 103 CO 0.24 0.59 0.39 0.00 -2.65 0.00 0.00 178.83 177.40 3ieq s ALA 104 N -4.24 -1.75 0.96 3.38 0.00 -1.26 -4.89 121.76 113.96 3ieq s ALA 104 Ca -0.05 0.85 -0.08 0.00 0.00 0.00 0.00 51.96 52.68 3ieq s ALA 104 Cb 0.14 0.55 0.12 0.00 0.00 0.00 0.00 23.12 23.93 3ieq s ALA 104 CO 0.77 -0.70 0.70 -0.35 0.00 0.00 0.00 175.76 176.17 3ieq n PRO 105 N -0.26 -0.61 -1.98 0.00 -0.04 -1.26 -5.05 135.00 125.80 3ieq n PRO 105 Ca -0.12 -1.14 -0.42 0.00 -0.04 0.00 0.00 63.50 61.78 3ieq n PRO 105 Cb 0.63 -0.70 -0.03 0.00 -0.04 0.00 0.00 33.50 33.36 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 -4.49 4.19 -0.04 0.54 2.47 -1.26 -4.91 119.74 116.24 3ieq s LYS 106 Ca 0.40 2.24 0.21 0.00 -1.56 0.00 0.00 55.97 57.26 3ieq s LYS 106 Cb -0.01 -3.84 -0.29 0.00 -1.46 0.00 0.00 37.83 32.23 3ieq s LYS 106 CO 0.28 -0.79 0.46 1.28 0.16 0.00 0.00 175.35 176.74 3ieq n LEU 107 N 6.53 0.11 -0.30 5.43 4.77 -1.26 -4.61 117.00 127.67 3ieq n LEU 107 Ca 0.17 0.04 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 3ieq n LEU 107 Cb 0.42 0.09 0.27 0.00 -2.33 0.00 0.00 43.42 41.88 3ieq n LEU 107 CO 0.62 0.08 0.89 0.00 -1.33 0.00 0.00 177.39 177.66 3ieq h ALA 108 N 1.79 1.19 0.00 -1.18 0.00 -1.99 0.19 119.26 119.25 3ieq h ALA 108 Ca -0.11 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ieq h ALA 108 Cb 1.26 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 3ieq h ALA 108 CO 0.01 -0.50 -0.02 -1.35 0.00 0.00 0.00 179.25 177.38 3ieq h PRO 109 N 0.13 0.00 -0.41 0.00 0.11 -2.02 -2.80 132.00 127.00 3ieq h PRO 109 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 3ieq h PRO 109 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ieq h PRO 109 CO -0.73 0.02 0.00 0.72 -0.21 0.00 0.00 178.00 177.80 3ieq n HIS 110 N -3.42 0.53 -0.05 0.65 8.25 0.67 -4.59 115.22 117.26 3ieq n HIS 110 Ca -0.02 -0.28 -0.12 0.00 -0.26 0.00 0.00 57.72 57.04 3ieq n HIS 110 Cb 0.12 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.16 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 4.36 1.30 -0.68 1.59 1.08 -1.47 -2.33 117.51 121.35 3ieq h ILE 111 Ca 0.00 -1.02 0.01 0.00 -0.39 0.00 0.00 64.86 63.46 3ieq h ILE 111 Cb 0.97 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 36.39 3ieq h ILE 111 CO 0.00 0.29 0.45 0.44 -0.69 0.00 0.00 178.15 178.64 3ieq h ASP 112 N -0.06 0.78 0.13 1.72 3.32 -1.82 -0.42 116.42 120.07 3ieq h ASP 112 Ca 0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3ieq h ASP 112 Cb 0.48 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3ieq h ASP 112 CO 0.02 0.56 -0.06 0.00 -1.72 0.00 0.00 179.24 178.04 3ieq h ALA 113 N 1.58 -0.17 -0.48 3.45 0.00 -1.83 -0.30 119.26 121.50 3ieq h ALA 113 Ca 0.25 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3ieq h ALA 113 Cb -0.11 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 3ieq h ALA 113 CO -0.05 -0.45 -0.28 0.52 0.00 0.00 0.00 179.25 178.98 3ieq h MET 114 N -0.46 -0.17 -0.79 0.00 2.86 -1.22 0.15 114.93 115.30 3ieq h MET 114 Ca -0.02 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3ieq h MET 114 Cb 0.37 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 3ieq h MET 114 CO 0.03 -0.11 0.49 0.00 1.06 0.00 0.00 176.91 178.38 3ieq h ARG 115 N -0.17 0.90 -0.61 1.72 3.08 -0.98 0.29 114.38 118.62 3ieq h ARG 115 Ca 0.21 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 3ieq h ARG 115 Cb 0.51 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3ieq h ARG 115 CO -0.58 0.60 0.16 0.00 -1.07 0.00 0.00 179.97 179.07 3ieq h ALA 116 N 1.35 0.80 -0.04 0.04 0.00 -0.37 0.19 119.26 121.23 3ieq h ALA 116 Ca 0.33 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ieq h ALA 116 Cb 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ieq h ALA 116 CO -0.14 0.50 0.03 -0.91 0.00 0.00 0.00 179.25 178.72 3ieq h ASN 117 N 0.88 0.05 -0.30 0.00 2.35 -0.16 -1.24 115.58 117.16 3ieq h ASN 117 Ca 0.19 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3ieq h ASN 117 Cb 0.34 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3ieq h ASN 117 CO 0.00 0.08 0.12 0.40 -1.65 0.00 0.00 177.43 176.39 3ieq h ILE 118 N 0.02 1.17 -0.77 2.81 2.04 -0.89 -1.67 117.51 120.22 3ieq h ILE 118 Ca 0.02 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 3ieq h ILE 118 Cb 0.04 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3ieq h ILE 118 CO -0.00 0.18 0.27 0.00 0.00 0.00 0.00 178.15 178.60 3ieq h ALA 119 N 0.97 1.00 0.26 1.87 0.00 -0.92 -1.03 119.26 121.41 3ieq h ALA 119 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ieq h ALA 119 Cb 0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ieq h ALA 119 CO -0.01 0.66 -0.16 0.00 0.00 0.00 0.00 179.25 179.74 3ieq h ALA 120 N 1.14 -0.40 -0.27 0.00 0.00 -1.12 0.71 119.26 119.32 3ieq h ALA 120 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3ieq h ALA 120 Cb 0.27 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ieq h ALA 120 CO -0.01 -0.74 0.13 -0.44 0.00 0.00 0.00 179.25 178.19 3ieq h ASP 121 N -0.41 0.32 0.04 0.00 3.32 -1.08 -2.17 116.42 116.44 3ieq h ASP 121 Ca -0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3ieq h ASP 121 Cb 0.35 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3ieq h ASP 121 CO 0.02 0.28 -0.12 0.18 -1.72 0.00 0.00 179.24 177.89 3ieq n LEU 122 N -4.45 1.78 -3.72 1.55 4.77 -0.41 -4.49 117.00 112.03 3ieq n LEU 122 Ca 0.01 -0.58 -0.22 0.00 -0.03 0.00 0.00 56.01 55.18 3ieq n LEU 122 Cb 0.11 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3ieq n LEU 122 CO 0.36 0.31 -0.05 -0.67 -1.33 0.00 0.00 177.39 176.00 3ieq n ASP 123 N 0.22 -1.52 -4.48 -1.43 2.03 -0.20 -4.98 116.55 106.19 3ieq n ASP 123 Ca 0.15 -0.81 -0.31 0.00 0.52 0.00 0.00 54.79 54.34 3ieq n ASP 123 Cb 0.42 -4.04 -0.12 0.00 -0.72 0.00 0.00 41.12 36.65 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 -6.74 2.71 0.35 -2.67 1.43 0.07 -5.04 118.68 108.79 3ieq s LEU 124 Ca 0.07 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 3ieq s LEU 124 Cb -0.03 -1.58 -0.12 0.00 0.03 0.00 0.00 46.19 44.49 3ieq s LEU 124 CO 0.81 0.26 1.22 -2.65 0.23 0.00 0.00 176.35 176.23 3ieq n PRO 125 N 1.59 1.93 -0.30 1.29 -0.02 -1.26 -4.59 135.00 133.64 3ieq n PRO 125 Ca -0.16 0.68 0.16 0.00 -2.02 0.00 0.00 63.50 62.16 3ieq n PRO 125 Cb 0.52 -2.23 0.42 0.00 -0.02 0.00 0.00 33.50 32.19 3ieq n PRO 125 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ieq h LEU 126 N 2.34 0.59 -0.13 2.45 5.85 -1.94 -1.59 115.31 122.89 3ieq h LEU 126 Ca -0.45 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3ieq h LEU 126 Cb 1.30 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3ieq h LEU 126 CO 0.62 0.22 0.00 -0.90 -0.34 0.00 0.00 178.44 178.03 3ieq n ASP 127 N -4.63 0.10 -0.27 1.25 5.75 -1.26 -2.11 116.55 115.38 3ieq n ASP 127 Ca 0.22 -1.48 0.03 0.00 -0.01 0.00 0.00 54.79 53.54 3ieq n ASP 127 Cb 0.65 -0.05 0.05 0.00 -1.03 0.00 0.00 41.12 40.74 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 -0.42 1.73 -4.70 0.11 1.74 -0.60 -4.96 116.66 109.57 3ieq n ARG 128 Ca 0.00 -1.41 -0.29 0.00 -0.77 0.00 0.00 57.85 55.38 3ieq n ARG 128 Cb 0.02 -1.12 -0.17 0.00 -1.02 0.00 0.00 32.46 30.18 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 -0.79 1.68 0.00 1.55 1.01 -0.90 -0.91 120.40 122.05 3ieq s VAL 129 Ca 0.09 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.35 3ieq s VAL 129 Cb 0.05 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 3ieq s VAL 129 CO 0.07 0.48 -0.14 0.21 0.00 0.00 0.00 175.10 175.72 3ieq s ASN 130 N 0.75 1.65 -0.05 3.32 2.47 -0.11 -5.00 114.94 117.96 3ieq s ASN 130 Ca -0.11 -0.31 0.02 0.00 0.42 0.00 0.00 52.86 52.88 3ieq s ASN 130 Cb -0.16 -0.16 0.02 0.00 -1.45 0.00 0.00 41.25 39.50 3ieq s ASN 130 CO 0.02 0.13 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.75 3ieq s VAL 131 N -0.48 0.87 0.31 -5.21 1.01 -1.26 -2.27 120.40 113.37 3ieq s VAL 131 Ca 0.04 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.80 3ieq s VAL 131 Cb -0.06 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 3ieq s VAL 131 CO 0.00 0.30 -0.09 -0.54 0.00 0.00 0.00 175.10 174.76 3ieq s LYS 132 N 0.76 1.89 0.00 2.72 1.02 0.00 -4.97 119.74 121.16 3ieq s LYS 132 Ca -0.13 -1.78 0.02 0.00 0.02 0.00 0.00 55.97 54.10 3ieq s LYS 132 Cb -0.15 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 3ieq s LYS 132 CO 0.02 0.23 -0.06 0.00 -0.92 0.00 0.00 175.35 174.62 3ieq s ALA 133 N -2.52 0.48 0.01 5.17 0.00 -1.26 -0.23 121.76 123.40 3ieq s ALA 133 Ca 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 3ieq s ALA 133 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3ieq s ALA 133 CO 0.17 0.10 0.04 0.15 0.00 0.00 0.00 175.76 176.22 3ieq s LYS 134 N -0.28 0.32 0.70 0.00 -0.14 0.05 -4.92 119.74 115.47 3ieq s LYS 134 Ca 0.01 -0.41 -0.05 0.00 -1.36 0.00 0.00 55.97 54.17 3ieq s LYS 134 Cb -0.03 0.12 0.08 0.00 -1.68 0.00 0.00 37.83 36.33 3ieq s LYS 134 CO -0.00 -0.06 0.99 0.95 -0.76 0.00 0.00 175.35 176.47 3ieq s THR 135 N -1.14 2.30 -0.28 2.17 -4.23 -1.26 -0.78 115.64 112.42 3ieq s THR 135 Ca -0.12 -0.40 0.11 0.00 -1.18 0.00 0.00 61.69 60.10 3ieq s THR 135 Cb -0.07 -2.89 0.65 0.00 1.34 0.00 0.00 72.50 71.52 3ieq s THR 135 CO 0.00 0.00 1.65 -3.20 -0.54 0.00 0.00 174.62 172.53 3ieq n ASN 136 N -2.87 4.18 -3.91 3.99 5.15 -1.26 -4.82 115.26 115.73 3ieq n ASN 136 Ca 0.10 -3.27 -0.31 0.00 -0.60 0.00 0.00 54.58 50.50 3ieq n ASN 136 Cb 0.60 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 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 -0.43 -4.32 -1.64 1.20 -0.58 -1.26 -1.27 120.64 112.34 3ieq n GLU 137 Ca 0.35 0.50 -0.19 0.00 -0.42 0.00 0.00 57.16 57.40 3ieq n GLU 137 Cb 1.21 -5.31 -0.07 0.00 -0.57 0.00 0.00 31.44 26.69 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 -4.40 -1.35 -3.84 3.49 5.02 -1.26 -4.98 118.16 110.85 3ieq n LYS 138 Ca 0.04 1.14 -0.36 0.00 -2.02 0.00 0.00 58.31 57.12 3ieq n LYS 138 Cb 0.52 -5.48 -0.07 0.00 -0.02 0.00 0.00 35.03 29.97 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 -4.47 4.25 0.00 -0.35 1.43 -0.39 -4.58 118.68 114.57 3ieq s LEU 139 Ca 0.00 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3ieq s LEU 139 Cb 0.00 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3ieq s LEU 139 CO 0.00 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.49 3ieq n GLY 140 N 2.73 -1.57 0.26 -3.19 0.00 -1.26 -1.07 105.19 101.09 3ieq n GLY 140 Ca -0.18 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.11 0.10 -0.15 1.61 -0.00 -1.97 -0.83 116.97 115.62 3ieq h TYR 141 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 3ieq h TYR 141 Cb 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 36.73 36.80 3ieq h TYR 141 CO 0.00 0.13 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.15 3ieq h LEU 142 N 0.10 0.32 -1.85 0.10 3.38 -1.81 0.86 115.31 116.42 3ieq h LEU 142 Ca 0.03 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3ieq h LEU 142 Cb 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3ieq h LEU 142 CO 0.00 0.65 0.00 1.23 0.09 0.00 0.00 178.44 180.41 3ieq h GLY 143 N -0.01 0.00 -1.05 0.83 0.00 -0.54 -2.21 103.07 100.09 3ieq h GLY 143 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3ieq h GLY 143 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.10 3ieq n ARG 144 N -3.08 1.87 -1.98 4.80 1.74 -0.37 -4.28 116.66 115.36 3ieq n ARG 144 Ca -0.00 -1.30 -0.14 0.00 -0.77 0.00 0.00 57.85 55.64 3ieq n ARG 144 Cb 0.24 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 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 1.21 0.35 0.01 -0.13 0.00 -0.83 -4.90 105.19 100.89 3ieq n GLY 145 Ca 0.17 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.42 0.03 -3.79 1.61 1.02 0.28 -4.66 120.64 112.72 3ieq n GLU 146 Ca -0.16 0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 56.95 3ieq n GLU 146 Cb 0.57 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 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 -3.07 -0.12 -0.02 0.62 0.00 -1.20 -0.42 107.32 103.10 3ieq s GLY 147 Ca 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.80 3ieq s GLY 147 CO 0.69 0.42 -0.06 -0.42 0.00 0.00 0.00 173.10 173.74 3ieq s ILE 148 N -3.05 0.55 0.09 0.90 1.01 -0.65 -4.57 121.20 115.48 3ieq s ILE 148 Ca 0.14 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.63 3ieq s ILE 148 Cb -0.02 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 3ieq s ILE 148 CO 0.04 0.19 -0.12 -0.70 0.00 0.00 0.00 174.94 174.34 3ieq s GLU 149 N 0.27 2.10 0.08 2.79 2.12 -0.66 -2.22 118.70 123.18 3ieq s GLU 149 Ca -0.03 -1.02 0.07 0.00 0.36 0.00 0.00 54.97 54.35 3ieq s GLU 149 Cb -0.08 -2.27 -0.03 0.00 0.26 0.00 0.00 34.13 32.01 3ieq s GLU 149 CO -0.00 0.52 -0.19 0.00 -0.54 0.00 0.00 175.26 175.05 3ieq s ALA 150 N -1.14 1.64 -0.00 6.30 0.00 -0.43 0.25 121.76 128.37 3ieq s ALA 150 Ca 0.19 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 51.06 3ieq s ALA 150 Cb -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3ieq s ALA 150 CO 0.11 0.32 -0.12 -0.65 0.00 0.00 0.00 175.76 175.42 3ieq s GLN 151 N -1.67 0.98 0.04 0.00 -0.21 0.44 -2.17 119.66 117.07 3ieq s GLN 151 Ca 0.05 -0.48 0.01 0.00 0.02 0.00 0.00 55.36 54.95 3ieq s GLN 151 Cb -0.10 -0.95 -0.03 0.00 1.00 0.00 0.00 33.01 32.93 3ieq s GLN 151 CO 0.03 0.26 -0.05 0.00 -2.12 0.00 0.00 175.29 173.41 3ieq s ALA 152 N -0.37 0.35 -0.02 6.09 0.00 -0.52 -0.40 121.76 126.90 3ieq s ALA 152 Ca 0.04 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3ieq s ALA 152 Cb -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3ieq s ALA 152 CO -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 175.76 175.49 3ieq s ALA 153 N -1.89 0.97 -0.02 0.00 0.00 -0.04 -0.97 121.76 119.82 3ieq s ALA 153 Ca -0.10 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3ieq s ALA 153 Cb -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3ieq s ALA 153 CO -0.02 0.21 -0.05 0.00 0.00 0.00 0.00 175.76 175.90 3ieq s ALA 154 N -0.13 0.53 -0.14 0.00 0.00 -0.06 -1.52 121.76 120.43 3ieq s ALA 154 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 3ieq s ALA 154 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3ieq s ALA 154 CO -0.00 0.08 -0.10 -1.17 0.00 0.00 0.00 175.76 174.57 3ieq s LEU 155 N 0.19 2.89 0.28 0.00 2.96 -0.76 -0.73 118.68 123.50 3ieq s LEU 155 Ca -0.02 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3ieq s LEU 155 Cb -0.06 -1.67 -0.06 0.00 0.50 0.00 0.00 46.19 44.90 3ieq s LEU 155 CO -0.00 0.16 -0.01 0.68 -1.32 0.00 0.00 176.35 175.85 3ieq s VAL 156 N 0.40 1.36 -0.01 1.68 -7.23 -0.25 -0.62 120.40 115.72 3ieq s VAL 156 Ca -0.08 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.03 3ieq s VAL 156 Cb -0.15 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.28 3ieq s VAL 156 CO 0.04 -0.23 -0.03 0.54 -0.31 0.00 0.00 175.10 175.12 3ieq s VAL 157 N -3.20 0.27 -2.15 1.32 0.11 -0.37 -0.68 120.40 115.70 3ieq s VAL 157 Ca 0.31 -0.08 0.31 0.00 -2.93 0.00 0.00 61.98 59.59 3ieq s VAL 157 Cb 0.06 -0.27 0.80 0.00 -1.53 0.00 0.00 36.38 35.44 3ieq s VAL 157 CO 0.12 0.11 2.08 -1.14 -3.33 0.00 0.00 175.10 172.94