#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s60 n VAL -5 N 0.00 0.00 0.26 0.00 0.31 -1.26 -4.86 118.33 112.78 1s60 n VAL -5 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 1s60 n VAL -5 Cb 0.00 -0.18 0.51 0.00 -0.91 0.00 0.00 33.84 33.26 1s60 n VAL -5 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1s60 h PRO -4 N 0.00 0.00 0.00 5.55 0.11 -2.14 -3.42 132.00 132.11 1s60 h PRO -4 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1s60 h PRO -4 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1s60 h PRO -4 CO 0.00 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.33 1s60 n ARG -3 N -2.88 2.62 0.00 1.05 1.74 -1.26 -5.16 116.66 112.77 1s60 n ARG -3 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1s60 n ARG -3 Cb 0.70 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.14 1s60 n ARG -3 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s60 n GLY -2 N 5.00 5.45 2.67 -0.13 0.00 -1.26 -5.11 105.19 111.81 1s60 n GLY -2 Ca 0.00 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 1s60 n GLY -2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s60 s SER -1 N 0.48 3.30 0.00 1.61 1.04 -1.26 -5.08 113.70 113.80 1s60 s SER -1 Ca 0.00 -3.33 0.00 0.00 0.48 0.00 0.00 55.95 53.10 1s60 s SER -1 Cb 0.00 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1s60 s SER -1 CO 0.00 -0.15 0.00 1.41 0.98 0.00 0.00 173.24 175.48 1s60 n HIS 0 N 2.59 0.00 -5.08 5.02 -0.00 -1.26 -4.23 115.22 112.27 1s60 n HIS 0 Ca 0.22 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.65 1s60 n HIS 0 Cb 0.40 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.23 1s60 n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1s60 s MET 1 N 0.00 2.18 -0.19 -0.41 -2.45 -1.26 -3.80 119.30 113.37 1s60 s MET 1 Ca 0.00 -0.78 -0.01 0.00 -1.25 0.00 0.00 55.69 53.65 1s60 s MET 1 Cb 0.00 -1.88 0.00 0.00 1.25 0.00 0.00 34.83 34.20 1s60 s MET 1 CO 0.00 0.33 -0.13 0.34 1.05 0.00 0.00 175.02 176.61 1s60 s ASP 2 N -0.11 3.67 -0.29 1.11 2.15 0.15 -4.95 116.67 118.40 1s60 s ASP 2 Ca -0.03 -0.51 -0.18 0.00 0.43 0.00 0.00 52.55 52.26 1s60 s ASP 2 Cb -0.12 -1.59 -0.02 0.00 -0.30 0.00 0.00 42.92 40.88 1s60 s ASP 2 CO 0.03 0.01 0.52 -0.63 -0.17 0.00 0.00 175.17 174.93 1s60 s ILE 3 N 1.24 5.04 0.15 4.11 -1.09 -1.26 0.13 121.20 129.52 1s60 s ILE 3 Ca 0.03 0.72 0.06 0.00 -2.23 0.00 0.00 60.65 59.24 1s60 s ILE 3 Cb -0.14 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1s60 s ILE 3 CO -0.06 -0.02 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.36 1s60 s ARG 4 N 2.36 1.14 -0.12 2.79 0.52 0.10 -4.96 118.95 120.78 1s60 s ARG 4 Ca 0.21 -1.39 -0.26 0.00 -0.52 0.00 0.00 55.73 53.77 1s60 s ARG 4 Cb -0.15 -0.97 -0.02 0.00 0.52 0.00 0.00 34.95 34.33 1s60 s ARG 4 CO 0.11 0.17 0.84 -1.14 0.02 0.00 0.00 175.30 175.30 1s60 s GLN 5 N -3.12 4.37 -0.16 3.54 0.74 -1.26 -0.65 119.66 123.12 1s60 s GLN 5 Ca 0.15 1.08 -0.29 0.00 0.05 0.00 0.00 55.36 56.35 1s60 s GLN 5 Cb -0.03 -3.53 -0.06 0.00 1.10 0.00 0.00 33.01 30.49 1s60 s GLN 5 CO 0.04 -0.22 2.16 -0.12 -0.55 0.00 0.00 175.29 176.60 1s60 n MET 6 N 4.78 2.15 -1.86 1.67 0.00 -0.74 -4.88 117.12 118.22 1s60 n MET 6 Ca 0.04 0.66 -0.07 0.00 -0.00 0.00 0.00 57.70 58.33 1s60 n MET 6 Cb 0.49 -3.14 0.01 0.00 0.00 0.00 0.00 33.22 30.59 1s60 n MET 6 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1s60 n ASN 7 N 10.52 1.03 0.27 6.12 0.23 -1.26 -4.76 115.26 127.41 1s60 n ASN 7 Ca 0.28 -1.52 0.15 0.00 -0.53 0.00 0.00 54.58 52.96 1s60 n ASN 7 Cb 0.43 -0.08 0.73 0.00 -2.08 0.00 0.00 39.78 38.77 1s60 n ASN 7 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1s60 h LYS 8 N 0.00 0.00 -0.55 -3.83 2.10 -1.98 -2.66 116.57 109.66 1s60 h LYS 8 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1s60 h LYS 8 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1s60 h LYS 8 CO 0.14 0.10 0.00 0.25 -2.00 0.00 0.00 179.45 177.94 1s60 n THR 9 N -3.38 0.16 -0.03 0.07 -2.24 -1.26 -2.60 114.28 105.00 1s60 n THR 9 Ca -0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1s60 n THR 9 Cb 0.27 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1s60 n THR 9 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1s60 n HIS 10 N -0.12 0.00 -0.26 4.78 8.25 -1.00 -4.82 115.22 122.05 1s60 n HIS 10 Ca 0.02 0.00 0.32 0.00 -0.26 0.00 0.00 57.72 57.81 1s60 n HIS 10 Cb 0.20 0.00 0.74 0.00 1.12 0.00 0.00 29.99 32.05 1s60 n HIS 10 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s60 h LEU 11 N 0.00 0.00 0.00 2.41 3.38 -1.59 -0.51 115.31 119.00 1s60 h LEU 11 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1s60 h LEU 11 Cb 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1s60 h LEU 11 CO 0.00 0.00 -1.67 -0.62 0.09 0.00 0.00 178.44 176.24 1s60 n GLU 12 N -4.18 0.63 0.01 1.13 4.71 -1.26 -2.11 120.64 119.57 1s60 n GLU 12 Ca 0.22 0.24 -0.13 0.00 -0.01 0.00 0.00 57.16 57.48 1s60 n GLU 12 Cb 1.13 -1.77 -0.09 0.00 -1.01 0.00 0.00 31.44 29.70 1s60 n GLU 12 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1s60 h HIS 13 N 0.00 -0.02 0.42 -0.32 3.86 -1.73 -0.15 115.15 117.20 1s60 h HIS 13 Ca -0.26 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.94 1s60 h HIS 13 Cb 1.86 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.33 1s60 h HIS 13 CO 0.00 0.35 -0.28 2.35 0.86 0.00 0.00 177.93 181.21 1s60 h TRP 14 N -0.39 -0.74 -0.86 2.45 7.01 -1.26 -2.32 115.95 119.83 1s60 h TRP 14 Ca -0.00 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.15 1s60 h TRP 14 Cb 0.38 0.27 -0.10 0.00 -2.10 0.00 0.00 29.16 27.61 1s60 h TRP 14 CO 0.05 -0.43 0.44 -0.09 -2.79 0.00 0.00 178.44 175.63 1s60 h ARG 15 N -0.68 0.59 -0.75 2.65 2.43 -1.41 -0.79 114.38 116.42 1s60 h ARG 15 Ca -0.04 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1s60 h ARG 15 Cb 0.57 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 1s60 h ARG 15 CO 0.03 0.39 0.45 0.78 -1.51 0.00 0.00 179.97 180.11 1s60 h GLY 16 N 0.61 1.11 0.85 2.80 0.00 -0.54 -1.91 103.07 105.99 1s60 h GLY 16 Ca 0.48 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.32 1s60 h GLY 16 CO -0.38 0.23 -0.59 1.41 0.00 0.00 0.00 176.54 177.20 1s60 h LEU 17 N 0.84 0.59 -1.86 3.11 3.38 -0.85 -3.30 115.31 117.22 1s60 h LEU 17 Ca 0.32 -0.71 0.05 0.00 0.09 0.00 0.00 57.88 57.63 1s60 h LEU 17 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1s60 h LEU 17 CO -0.16 1.22 0.20 -0.09 0.09 0.00 0.00 178.44 179.70 1s60 h ARG 18 N 0.01 0.18 0.00 1.13 2.43 -1.06 0.87 114.38 117.94 1s60 h ARG 18 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1s60 h ARG 18 Cb 1.28 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1s60 h ARG 18 CO 0.12 0.12 0.00 0.87 -1.51 0.00 0.00 179.97 179.57 1s60 h LYS 19 N 0.18 0.00 -0.08 0.20 1.57 -1.42 -0.61 116.57 116.41 1s60 h LYS 19 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1s60 h LYS 19 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1s60 h LYS 19 CO -0.02 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.90 1s60 n GLN 20 N -2.52 1.91 -0.12 3.15 6.02 0.30 -2.52 117.38 123.59 1s60 n GLN 20 Ca -0.01 -1.78 -0.17 0.00 -0.01 0.00 0.00 57.00 55.03 1s60 n GLN 20 Cb 0.10 -1.40 -0.11 0.00 1.02 0.00 0.00 30.24 29.84 1s60 n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1s60 n LEU 21 N 1.17 2.97 -3.14 1.08 7.94 -0.41 -4.68 117.00 121.93 1s60 n LEU 21 Ca 0.13 -0.12 -0.25 0.00 -1.11 0.00 0.00 56.01 54.65 1s60 n LEU 21 Cb 0.52 -0.85 -0.05 0.00 0.53 0.00 0.00 43.42 43.56 1s60 n LEU 21 CO 0.13 0.91 0.01 0.79 -1.11 0.00 0.00 177.39 178.12 1s60 n TRP 22 N -3.22 2.78 -2.20 1.96 8.01 -0.37 -5.05 117.44 119.34 1s60 n TRP 22 Ca -0.43 -3.96 -0.43 0.00 -1.31 0.00 0.00 57.50 51.37 1s60 n TRP 22 Cb 0.96 -0.48 -0.02 0.00 -2.01 0.00 0.00 31.31 29.75 1s60 n TRP 22 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1s60 s PRO 23 N -2.78 3.97 0.00 -0.99 0.04 -1.05 -1.74 135.00 132.45 1s60 s PRO 23 Ca 0.43 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1s60 s PRO 23 Cb 0.25 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1s60 s PRO 23 CO -0.09 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1s60 n GLY 24 N 4.30 0.87 3.47 0.56 0.00 -1.26 -5.08 105.19 108.05 1s60 n GLY 24 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1s60 n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s60 s HIS 25 N -0.36 3.17 0.52 1.61 5.04 -0.71 -5.09 115.29 119.47 1s60 s HIS 25 Ca 0.00 -0.43 -0.23 0.00 -1.54 0.00 0.00 55.06 52.86 1s60 s HIS 25 Cb 0.00 -2.35 -0.06 0.00 0.04 0.00 0.00 32.58 30.21 1s60 s HIS 25 CO 0.00 -0.40 1.39 -2.14 -2.34 0.00 0.00 174.74 171.25 1s60 s PRO 26 N 1.64 3.28 0.56 2.88 0.02 -1.26 -4.74 135.00 137.39 1s60 s PRO 26 Ca 0.05 2.31 0.29 0.00 0.02 0.00 0.00 61.00 63.67 1s60 s PRO 26 Cb -0.17 -2.37 1.46 0.00 0.02 0.00 0.00 34.50 33.45 1s60 s PRO 26 CO 0.07 -1.10 1.90 -0.44 -0.33 0.00 0.00 177.00 177.10 1s60 h ASP 27 N 1.70 0.00 0.27 2.53 3.32 -1.99 0.39 116.42 122.64 1s60 h ASP 27 Ca -0.51 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1s60 h ASP 27 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1s60 h ASP 27 CO 0.58 0.00 -0.13 0.44 -1.72 0.00 0.00 179.24 178.41 1s60 h ASP 28 N 0.00 -0.31 -0.32 6.45 5.19 -1.99 -2.25 116.42 123.18 1s60 h ASP 28 Ca 0.31 -0.20 0.07 0.00 -0.62 0.00 0.00 57.03 56.59 1s60 h ASP 28 Cb 1.40 0.08 -0.08 0.00 0.18 0.00 0.00 39.33 40.91 1s60 h ASP 28 CO -0.00 0.06 -0.30 0.00 -3.12 0.00 0.00 179.24 175.88 1s60 h ALA 29 N -0.13 -0.18 -0.90 3.45 0.00 -0.61 0.13 119.26 121.03 1s60 h ALA 29 Ca -0.04 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1s60 h ALA 29 Cb 0.49 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1s60 h ALA 29 CO 0.06 -0.71 0.51 0.45 0.00 0.00 0.00 179.25 179.56 1s60 h HIS 30 N -0.27 0.91 -0.24 0.00 3.86 -1.32 -0.87 115.15 117.23 1s60 h HIS 30 Ca 0.16 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1s60 h HIS 30 Cb 0.52 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1s60 h HIS 30 CO -0.48 0.28 0.03 1.25 0.86 0.00 0.00 177.93 179.87 1s60 h LEU 31 N 0.76 0.38 -0.23 2.43 5.85 -0.42 -1.06 115.31 123.03 1s60 h LEU 31 Ca 0.47 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.98 1s60 h LEU 31 Cb 0.59 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 1s60 h LEU 31 CO -0.32 0.56 -0.32 0.00 -0.34 0.00 0.00 178.44 178.02 1s60 h ALA 32 N 0.84 -0.30 -0.28 1.25 0.00 -0.04 -2.21 119.26 118.52 1s60 h ALA 32 Ca 0.07 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1s60 h ALA 32 Cb 0.34 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1s60 h ALA 32 CO 0.01 -0.77 -0.16 -0.44 0.00 0.00 0.00 179.25 177.89 1s60 h ASP 33 N -0.34 -0.53 -0.57 0.00 3.45 -0.99 -1.29 116.42 116.16 1s60 h ASP 33 Ca 0.12 0.12 0.11 0.00 0.43 0.00 0.00 57.03 57.81 1s60 h ASP 33 Cb 0.54 0.28 -0.08 0.00 -0.56 0.00 0.00 39.33 39.50 1s60 h ASP 33 CO -0.42 -0.20 0.09 1.23 -1.57 0.00 0.00 179.24 178.37 1s60 h GLY 34 N -0.13 0.68 0.53 2.75 0.00 -0.73 0.17 103.07 106.35 1s60 h GLY 34 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1s60 h GLY 34 CO -0.36 -0.12 -0.41 0.83 0.00 0.00 0.00 176.54 176.48 1s60 h GLU 35 N 0.21 -0.78 -0.16 4.80 5.08 -0.76 -0.49 114.58 122.49 1s60 h GLU 35 Ca 0.29 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.74 1s60 h GLU 35 Cb 0.44 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 1s60 h GLU 35 CO -0.41 -0.52 -0.51 1.49 -1.00 0.00 0.00 179.01 178.07 1s60 h GLU 36 N -0.81 -0.52 -0.09 2.33 4.57 -0.57 -2.04 114.58 117.46 1s60 h GLU 36 Ca -0.03 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1s60 h GLU 36 Cb 0.73 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.42 1s60 h GLU 36 CO -0.09 -0.35 -0.20 0.82 -1.18 0.00 0.00 179.01 178.01 1s60 h ILE 37 N -0.54 0.00 -0.52 2.32 1.08 -0.51 -1.39 117.51 117.95 1s60 h ILE 37 Ca 0.05 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 1s60 h ILE 37 Cb 0.66 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.35 1s60 h ILE 37 CO -0.44 0.00 -0.31 0.18 -0.69 0.00 0.00 178.15 176.89 1s60 n LEU 38 N -3.62 -0.55 -0.14 1.44 4.32 -0.21 -2.08 117.00 116.16 1s60 n LEU 38 Ca -0.02 1.20 -0.03 0.00 -0.02 0.00 0.00 56.01 57.14 1s60 n LEU 38 Cb 0.13 -0.26 0.18 0.00 -1.62 0.00 0.00 43.42 41.85 1s60 n LEU 38 CO 0.02 -0.89 0.98 0.06 -1.22 0.00 0.00 177.39 176.34 1s60 h GLN 39 N 0.00 0.86 -6.96 3.23 3.07 -1.08 -3.46 115.11 110.77 1s60 h GLN 39 Ca 0.08 -0.17 -0.53 0.00 0.09 0.00 0.00 58.65 58.12 1s60 h GLN 39 Cb 0.21 -0.13 0.09 0.00 0.08 0.00 0.00 27.48 27.73 1s60 h GLN 39 CO -0.49 0.77 0.63 0.00 0.09 0.00 0.00 178.83 179.83 1s60 s ALA 40 N -5.23 3.25 0.21 0.06 0.00 -0.55 -4.94 121.76 114.56 1s60 s ALA 40 Ca -0.10 1.28 0.08 0.00 0.00 0.00 0.00 51.96 53.22 1s60 s ALA 40 Cb 0.15 -3.51 0.14 0.00 0.00 0.00 0.00 23.12 19.91 1s60 s ALA 40 CO 0.80 -0.90 1.48 -0.44 0.00 0.00 0.00 175.76 176.71 1s60 h ASP 41 N 2.59 0.05 0.26 0.00 3.32 -1.89 -3.26 116.42 117.50 1s60 h ASP 41 Ca -0.50 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1s60 h ASP 41 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1s60 h ASP 41 CO 0.62 0.79 -0.51 0.00 -1.72 0.00 0.00 179.24 178.43 1s60 n HIS 42 N -3.66 0.00 -4.22 4.55 1.44 -1.26 -4.91 115.22 107.16 1s60 n HIS 42 Ca -0.01 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.34 1s60 n HIS 42 Cb 0.73 -0.13 -0.08 0.00 0.12 0.00 0.00 29.99 30.63 1s60 n HIS 42 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1s60 s LEU 43 N -2.77 3.83 -0.00 2.39 1.02 -1.23 -1.24 118.68 120.67 1s60 s LEU 43 Ca 0.16 0.23 -0.15 0.00 0.02 0.00 0.00 54.13 54.39 1s60 s LEU 43 Cb 0.18 -1.92 0.02 0.00 0.02 0.00 0.00 46.19 44.49 1s60 s LEU 43 CO 0.66 0.38 0.32 0.00 0.02 0.00 0.00 176.35 177.72 1s60 s ALA 44 N -0.95 -0.79 0.11 4.21 0.00 -0.84 -4.78 121.76 118.73 1s60 s ALA 44 Ca 0.14 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1s60 s ALA 44 Cb -0.12 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1s60 s ALA 44 CO 0.04 -0.29 -0.09 -1.12 0.00 0.00 0.00 175.76 174.30 1s60 s SER 45 N -1.45 1.38 -0.02 0.00 0.01 -1.26 -1.06 113.70 111.31 1s60 s SER 45 Ca -0.12 -0.93 0.02 0.00 1.31 0.00 0.00 55.95 56.22 1s60 s SER 45 Cb -0.04 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1s60 s SER 45 CO 0.03 -0.36 -0.06 -0.36 0.41 0.00 0.00 173.24 172.89 1s60 s PHE 46 N -3.12 0.67 -0.02 2.43 0.40 0.26 -1.80 117.98 116.80 1s60 s PHE 46 Ca 0.10 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1s60 s PHE 46 Cb 0.02 -0.48 -0.03 0.00 0.51 0.00 0.00 43.02 43.04 1s60 s PHE 46 CO -0.02 -0.06 -0.16 0.42 0.70 0.00 0.00 175.22 176.11 1s60 s ILE 47 N 0.11 2.92 -0.40 0.64 -1.09 0.18 -1.21 121.20 122.36 1s60 s ILE 47 Ca -0.01 -0.90 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 1s60 s ILE 47 Cb -0.06 -2.17 0.08 0.00 -1.58 0.00 0.00 42.46 38.73 1s60 s ILE 47 CO -0.00 0.50 0.21 0.00 -1.23 0.00 0.00 174.94 174.42 1s60 s ALA 48 N -0.80 3.20 -0.01 9.38 0.00 0.14 -0.72 121.76 132.96 1s60 s ALA 48 Ca 0.13 -2.13 -0.18 0.00 0.00 0.00 0.00 51.96 49.78 1s60 s ALA 48 Cb -0.11 -2.50 -0.06 0.00 0.00 0.00 0.00 23.12 20.46 1s60 s ALA 48 CO 0.02 -1.60 0.50 -1.64 0.00 0.00 0.00 175.76 173.04 1s60 s MET 49 N 1.36 4.16 -0.05 0.00 -1.94 0.12 -0.72 119.30 122.24 1s60 s MET 49 Ca 0.03 0.56 0.00 0.00 -1.71 0.00 0.00 55.69 54.57 1s60 s MET 49 Cb -0.22 -3.30 0.02 0.00 2.01 0.00 0.00 34.83 33.35 1s60 s MET 49 CO 0.01 0.50 -0.03 0.00 -0.01 0.00 0.00 175.02 175.49 1s60 s ALA 50 N -0.54 0.60 -1.23 3.03 0.00 0.15 0.31 121.76 124.07 1s60 s ALA 50 Ca 0.27 -0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.96 1s60 s ALA 50 Cb -0.17 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.51 1s60 s ALA 50 CO 0.15 -0.12 0.45 -0.25 0.00 0.00 0.00 175.76 176.00 1s60 n ASP 51 N 4.28 -2.47 0.00 0.00 10.43 -1.25 -0.83 116.55 126.72 1s60 n ASP 51 Ca -0.22 -1.23 0.00 0.00 2.57 0.00 0.00 54.79 55.92 1s60 n ASP 51 Cb 0.51 -1.48 0.00 0.00 1.84 0.00 0.00 41.12 41.98 1s60 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s60 n GLY 52 N -2.17 0.35 3.30 0.44 0.00 -1.26 -4.99 105.19 100.85 1s60 n GLY 52 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1s60 n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s60 s VAL 53 N -1.95 1.75 -0.39 1.61 1.01 -0.01 -5.12 120.40 117.30 1s60 s VAL 53 Ca 0.00 -1.62 -0.24 0.00 0.00 0.00 0.00 61.98 60.12 1s60 s VAL 53 Cb 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1s60 s VAL 53 CO 0.00 -0.11 0.82 0.00 0.00 0.00 0.00 175.10 175.82 1s60 s ALA 54 N -1.33 3.38 -1.40 5.51 0.00 -1.26 0.29 121.76 126.94 1s60 s ALA 54 Ca 0.08 -0.71 0.12 0.00 0.00 0.00 0.00 51.96 51.45 1s60 s ALA 54 Cb -0.09 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.66 1s60 s ALA 54 CO 0.05 -1.66 0.84 0.44 0.00 0.00 0.00 175.76 175.43 1s60 n ILE 55 N 5.96 0.00 -3.60 0.00 -5.35 0.10 -4.96 119.36 111.52 1s60 n ILE 55 Ca 0.04 -0.47 -0.06 0.00 -0.27 0.00 0.00 62.75 61.98 1s60 n ILE 55 Cb 0.48 1.22 -0.04 0.00 -1.74 0.00 0.00 39.64 39.57 1s60 n ILE 55 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s60 s GLY 56 N -1.11 -0.15 0.19 3.28 0.00 -1.20 -0.06 107.32 108.27 1s60 s GLY 56 Ca 0.13 2.21 -0.09 0.00 0.00 0.00 0.00 44.72 46.97 1s60 s GLY 56 CO 0.18 0.95 0.33 -0.11 0.00 0.00 0.00 173.10 174.44 1s60 s PHE 57 N -1.38 0.46 -0.07 1.90 -0.12 0.26 0.27 117.98 119.30 1s60 s PHE 57 Ca 0.04 -0.80 -0.05 0.00 -0.05 0.00 0.00 56.93 56.07 1s60 s PHE 57 Cb -0.01 -0.03 0.02 0.00 -0.63 0.00 0.00 43.02 42.37 1s60 s PHE 57 CO -0.03 -0.79 0.17 0.00 -0.05 0.00 0.00 175.22 174.52 1s60 s ALA 58 N -4.00 -0.40 -0.38 1.99 0.00 -0.35 -1.10 121.76 117.52 1s60 s ALA 58 Ca 0.21 0.56 -0.06 0.00 0.00 0.00 0.00 51.96 52.67 1s60 s ALA 58 Cb 0.03 -0.34 0.07 0.00 0.00 0.00 0.00 23.12 22.87 1s60 s ALA 58 CO 0.04 -0.10 0.16 -0.51 0.00 0.00 0.00 175.76 175.35 1s60 s ASP 59 N 0.38 5.35 0.11 0.00 -0.00 0.42 -0.57 116.67 122.36 1s60 s ASP 59 Ca -0.02 -1.48 0.04 0.00 -0.00 0.00 0.00 52.55 51.09 1s60 s ASP 59 Cb -0.04 -1.88 -0.04 0.00 -0.00 0.00 0.00 42.92 40.97 1s60 s ASP 59 CO -0.02 -0.44 0.07 0.00 -0.00 0.00 0.00 175.17 174.79 1s60 s ALA 60 N 1.33 3.49 0.13 5.23 0.00 -0.22 -0.29 121.76 131.43 1s60 s ALA 60 Ca 0.02 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1s60 s ALA 60 Cb -0.21 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1s60 s ALA 60 CO 0.00 0.67 0.04 -1.54 0.00 0.00 0.00 175.76 174.93 1s60 s SER 61 N -2.58 0.42 -0.23 0.00 1.04 -0.98 -1.98 113.70 109.40 1s60 s SER 61 Ca 0.29 -1.18 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 1s60 s SER 61 Cb -0.11 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.27 1s60 s SER 61 CO 0.21 -0.70 -0.04 -0.63 0.98 0.00 0.00 173.24 173.06 1s60 s ILE 62 N -3.99 3.30 -0.17 -1.02 1.01 -0.37 -1.13 121.20 118.82 1s60 s ILE 62 Ca 0.22 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 1s60 s ILE 62 Cb 0.07 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1s60 s ILE 62 CO 0.01 0.39 0.32 -0.13 0.00 0.00 0.00 174.94 175.52 1s60 s ARG 63 N 1.46 4.24 0.00 2.79 1.81 0.48 -4.92 118.95 124.80 1s60 s ARG 63 Ca 0.05 0.12 0.14 0.00 -1.72 0.00 0.00 55.73 54.32 1s60 s ARG 63 Cb -0.15 -3.46 0.18 0.00 -0.45 0.00 0.00 34.95 31.08 1s60 s ARG 63 CO -0.04 0.16 1.04 0.72 -0.68 0.00 0.00 175.30 176.50 1s60 n HIS 64 N 3.82 0.15 -2.83 -0.53 8.25 -1.26 -1.40 115.22 121.41 1s60 n HIS 64 Ca -0.11 -0.12 -0.07 0.00 -0.26 0.00 0.00 57.72 57.16 1s60 n HIS 64 Cb 0.52 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.65 1s60 n HIS 64 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1s60 n ASP 65 N 0.79 0.65 -4.75 0.41 9.92 -1.26 -5.03 116.55 117.28 1s60 n ASP 65 Ca 0.10 -1.49 -0.35 0.00 -0.53 0.00 0.00 54.79 52.51 1s60 n ASP 65 Cb 0.38 -0.17 0.05 0.00 -0.64 0.00 0.00 41.12 40.75 1s60 n ASP 65 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1s60 s TYR 66 N -0.42 2.30 -0.25 1.24 5.04 -1.26 -4.95 117.35 119.05 1s60 s TYR 66 Ca 0.21 1.54 -0.04 0.00 -2.44 0.00 0.00 57.07 56.34 1s60 s TYR 66 Cb -0.02 -3.47 0.10 0.00 0.35 0.00 0.00 41.96 38.92 1s60 s TYR 66 CO 0.14 -2.32 0.16 0.08 -1.34 0.00 0.00 175.55 172.27 1s60 s VAL 67 N -1.74 -0.16 -0.29 3.14 1.01 -1.26 -5.10 120.40 115.99 1s60 s VAL 67 Ca 0.76 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 1s60 s VAL 67 Cb -0.30 -0.84 -0.12 0.00 0.00 0.00 0.00 36.38 35.12 1s60 s VAL 67 CO 0.37 -0.51 0.95 0.59 0.00 0.00 0.00 175.10 176.51 1s60 n ASN 68 N 5.28 0.70 0.00 3.32 4.13 -1.26 -0.56 115.26 126.87 1s60 n ASN 68 Ca -0.06 0.69 0.00 0.00 1.68 0.00 0.00 54.58 56.90 1s60 n ASN 68 Cb 0.45 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 1s60 n ASN 68 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s60 n GLY 69 N 2.43 0.63 3.64 7.41 0.00 -1.26 -4.88 105.19 113.16 1s60 n GLY 69 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1s60 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s60 n ASP 71 N 1.06 0.57 -4.82 0.00 8.00 -1.26 -4.83 116.55 115.27 1s60 n ASP 71 Ca -0.13 -0.03 -0.27 0.00 0.71 0.00 0.00 54.79 55.07 1s60 n ASP 71 Cb 0.52 0.71 -0.04 0.00 -0.02 0.00 0.00 41.12 42.29 1s60 n ASP 71 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s60 s SER 72 N -5.58 4.49 -0.02 -2.24 1.04 -1.26 -5.15 113.70 104.97 1s60 s SER 72 Ca -0.14 -1.23 -0.05 0.00 0.48 0.00 0.00 55.95 55.00 1s60 s SER 72 Cb 0.06 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1s60 s SER 72 CO 0.75 -0.83 0.11 -0.55 0.98 0.00 0.00 173.24 173.71 1s60 s SER 73 N -4.06 -0.03 0.87 7.02 0.15 -1.26 -4.56 113.70 111.84 1s60 s SER 73 Ca 0.32 -0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.82 1s60 s SER 73 Cb 0.01 0.22 0.14 0.00 -1.71 0.00 0.00 66.02 64.68 1s60 s SER 73 CO 0.19 -0.21 1.23 -2.16 1.20 0.00 0.00 173.24 173.49 1s60 s PRO 74 N -0.70 1.27 0.05 5.44 0.04 -1.26 -4.82 135.00 135.01 1s60 s PRO 74 Ca -0.08 -0.28 0.09 0.00 0.04 0.00 0.00 61.00 60.77 1s60 s PRO 74 Cb -0.05 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1s60 s PRO 74 CO 0.01 -1.98 -0.26 0.08 0.04 0.00 0.00 177.00 174.88 1s60 s VAL 75 N -3.68 2.13 -0.43 -0.36 1.01 -0.49 -3.86 120.40 114.72 1s60 s VAL 75 Ca 0.68 -1.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 1s60 s VAL 75 Cb -0.07 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.51 1s60 s VAL 75 CO 0.50 0.36 0.57 -0.69 0.00 0.00 0.00 175.10 175.85 1s60 s VAL 76 N -0.81 4.92 -0.01 2.92 1.01 -0.64 -0.39 120.40 127.39 1s60 s VAL 76 Ca 0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 1s60 s VAL 76 Cb -0.10 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1s60 s VAL 76 CO 0.02 -0.54 0.28 0.12 0.00 0.00 0.00 175.10 174.98 1s60 s PHE 77 N 2.58 3.61 -0.60 5.22 5.36 -0.29 -0.82 117.98 133.04 1s60 s PHE 77 Ca 0.19 0.67 -0.16 0.00 -0.96 0.00 0.00 56.93 56.66 1s60 s PHE 77 Cb -0.15 -2.05 0.14 0.00 -0.34 0.00 0.00 43.02 40.61 1s60 s PHE 77 CO 0.17 0.64 0.59 -1.17 -1.46 0.00 0.00 175.22 173.99 1s60 s LEU 78 N -1.49 6.09 0.26 6.12 2.96 -0.79 -2.32 118.68 129.51 1s60 s LEU 78 Ca 0.25 -1.85 0.11 0.00 -0.22 0.00 0.00 54.13 52.42 1s60 s LEU 78 Cb -0.14 -2.23 0.27 0.00 0.50 0.00 0.00 46.19 44.59 1s60 s LEU 78 CO 0.13 -0.87 1.55 -0.33 -1.32 0.00 0.00 176.35 175.51 1s60 h GLU 79 N 8.79 0.00 -1.50 1.98 4.39 -1.00 -3.39 114.58 123.85 1s60 h GLU 79 Ca -0.23 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.55 1s60 h GLU 79 Cb 1.09 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.46 1s60 h GLU 79 CO 1.01 0.65 0.54 0.20 -1.16 0.00 0.00 179.01 180.25 1s60 s GLY 80 N -4.50 -0.06 -0.05 -3.84 0.00 -1.08 -4.95 107.32 92.84 1s60 s GLY 80 Ca -0.00 2.80 -0.07 0.00 0.00 0.00 0.00 44.72 47.44 1s60 s GLY 80 CO 0.76 1.80 0.19 -1.50 0.00 0.00 0.00 173.10 174.35 1s60 s ILE 81 N 0.11 0.02 -0.28 0.90 -1.16 -1.26 0.16 121.20 119.69 1s60 s ILE 81 Ca 0.04 -0.18 -0.19 0.00 -0.51 0.00 0.00 60.65 59.81 1s60 s ILE 81 Cb -0.05 -0.33 0.09 0.00 0.61 0.00 0.00 42.46 42.78 1s60 s ILE 81 CO -0.07 -0.10 0.77 0.12 -2.81 0.00 0.00 174.94 172.84 1s60 s PHE 82 N -0.31 -0.88 -0.07 3.50 5.36 -0.26 -4.98 117.98 120.35 1s60 s PHE 82 Ca -0.04 1.86 0.03 0.00 -0.96 0.00 0.00 56.93 57.81 1s60 s PHE 82 Cb -0.03 0.48 0.01 0.00 -0.34 0.00 0.00 43.02 43.14 1s60 s PHE 82 CO 0.01 -0.43 -0.13 0.08 -1.46 0.00 0.00 175.22 173.28 1s60 s VAL 83 N 1.17 1.22 0.17 3.12 1.01 -1.26 -0.58 120.40 125.25 1s60 s VAL 83 Ca -0.06 -0.54 -0.32 0.00 0.00 0.00 0.00 61.98 61.06 1s60 s VAL 83 Cb -0.05 -1.10 -0.16 0.00 0.00 0.00 0.00 36.38 35.06 1s60 s VAL 83 CO -0.13 0.37 0.94 0.18 0.00 0.00 0.00 175.10 176.46 1s60 n LEU 84 N 3.74 0.54 -0.35 3.92 4.77 0.91 -4.71 117.00 125.82 1s60 n LEU 84 Ca -0.22 1.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.80 1s60 n LEU 84 Cb 0.52 -1.11 -0.08 0.00 -2.33 0.00 0.00 43.42 40.42 1s60 n LEU 84 CO 0.26 -1.90 0.50 -0.65 -1.33 0.00 0.00 177.39 174.27 1s60 h PRO 85 N 2.40 -0.09 -0.73 3.23 0.11 -1.99 0.59 132.00 135.52 1s60 h PRO 85 Ca -0.39 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1s60 h PRO 85 Cb 1.38 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1s60 h PRO 85 CO 0.64 -0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 1s60 n SER 86 N -5.31 0.19 -0.06 -2.05 3.41 -1.26 -1.56 113.62 106.97 1s60 n SER 86 Ca 0.02 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1s60 n SER 86 Cb 0.30 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1s60 n SER 86 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s60 n PHE 87 N 0.62 0.00 -2.36 7.33 3.01 0.19 -5.13 117.46 121.12 1s60 n PHE 87 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 1s60 n PHE 87 Cb 0.04 0.08 -0.01 0.00 -0.01 0.00 0.00 39.48 39.58 1s60 n PHE 87 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1s60 s ARG 88 N 0.00 3.71 -0.75 -1.08 0.52 -0.60 -4.30 118.95 116.44 1s60 s ARG 88 Ca 0.00 0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 55.82 1s60 s ARG 88 Cb 0.00 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 33.23 1s60 s ARG 88 CO 0.00 -0.31 0.68 1.04 0.02 0.00 0.00 175.30 176.73 1s60 n GLN 89 N -2.06 -1.49 0.00 3.54 6.02 -1.26 -4.92 117.38 117.22 1s60 n GLN 89 Ca 0.04 1.09 0.00 0.00 -0.01 0.00 0.00 57.00 58.12 1s60 n GLN 89 Cb 0.54 -5.19 0.00 0.00 1.02 0.00 0.00 30.24 26.61 1s60 n GLN 89 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s60 n ARG 90 N -2.25 0.00 -0.61 -1.09 1.74 -1.26 -5.01 116.66 108.18 1s60 n ARG 90 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1s60 n ARG 90 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 1s60 n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s60 n GLY 91 N 0.00 0.74 0.40 -0.13 0.00 -1.26 -4.98 105.19 99.95 1s60 n GLY 91 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1s60 n GLY 91 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s60 h VAL 92 N 0.00 0.15 -0.36 1.61 2.07 -1.95 -0.08 116.25 117.69 1s60 h VAL 92 Ca 0.00 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.37 1s60 h VAL 92 Cb 0.00 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1s60 h VAL 92 CO 0.00 0.01 0.25 0.00 0.02 0.00 0.00 177.57 177.85 1s60 h ALA 93 N -1.03 2.11 0.12 1.67 0.00 -1.93 0.31 119.26 120.50 1s60 h ALA 93 Ca -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1s60 h ALA 93 Cb 0.77 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1s60 h ALA 93 CO 0.16 -0.19 -0.08 -0.22 0.00 0.00 0.00 179.25 178.92 1s60 h LYS 94 N 0.18 -0.19 -0.27 0.00 3.64 -1.86 0.27 116.57 118.33 1s60 h LYS 94 Ca 0.16 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1s60 h LYS 94 Cb 0.42 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1s60 h LYS 94 CO -0.03 -0.13 -0.21 1.96 -2.27 0.00 0.00 179.45 178.78 1s60 h GLN 95 N -0.20 0.62 -0.04 1.90 4.20 0.08 -0.99 115.11 120.68 1s60 h GLN 95 Ca -0.01 -0.31 0.04 0.00 0.06 0.00 0.00 58.65 58.43 1s60 h GLN 95 Cb 0.18 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 1s60 h GLN 95 CO -0.00 0.90 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.71 1s60 h LEU 96 N 0.35 -0.83 -1.18 1.46 3.38 -0.24 0.80 115.31 119.05 1s60 h LEU 96 Ca 0.05 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1s60 h LEU 96 Cb 0.75 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 1s60 h LEU 96 CO 0.06 -0.34 0.57 0.40 0.09 0.00 0.00 178.44 179.21 1s60 h ILE 97 N -0.40 1.12 -0.23 1.22 5.03 -0.40 -1.97 117.51 121.88 1s60 h ILE 97 Ca 0.07 -0.36 0.01 0.00 -0.12 0.00 0.00 64.86 64.47 1s60 h ILE 97 Cb 0.50 -0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 34.26 1s60 h ILE 97 CO -0.27 0.19 0.13 0.00 -0.68 0.00 0.00 178.15 177.52 1s60 h ALA 98 N 1.51 0.29 0.00 1.87 0.00 -0.19 -1.23 119.26 121.51 1s60 h ALA 98 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1s60 h ALA 98 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1s60 h ALA 98 CO -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 178.86 1s60 n ALA 99 N -2.20 1.47 0.06 0.00 0.00 0.18 -1.38 120.51 118.65 1s60 n ALA 99 Ca -0.02 0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1s60 n ALA 99 Cb 0.05 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 1s60 n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1s60 n VAL 100 N -2.05 0.90 -0.04 0.00 0.31 -0.57 -3.21 118.33 113.67 1s60 n VAL 100 Ca 0.01 -0.62 -0.15 0.00 -0.01 0.00 0.00 64.34 63.57 1s60 n VAL 100 Cb 0.16 -0.53 -0.13 0.00 -0.91 0.00 0.00 33.84 32.43 1s60 n VAL 100 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1s60 h GLN 101 N 0.00 0.07 -0.47 5.55 4.15 -0.33 -2.83 115.11 121.26 1s60 h GLN 101 Ca -0.09 -0.11 0.08 0.00 0.77 0.00 0.00 58.65 59.31 1s60 h GLN 101 Cb 1.30 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.01 1s60 h GLN 101 CO 0.02 0.99 0.32 -0.09 -1.93 0.00 0.00 178.83 178.14 1s60 h ARG 102 N -0.79 0.28 -0.15 1.69 2.43 -1.37 0.47 114.38 116.94 1s60 h ARG 102 Ca -0.03 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 1s60 h ARG 102 Cb 1.06 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1s60 h ARG 102 CO 0.03 0.18 -0.44 2.35 -1.51 0.00 0.00 179.97 180.59 1s60 h TRP 103 N 0.29 0.73 0.00 2.20 7.01 -1.61 -2.79 115.95 121.77 1s60 h TRP 103 Ca 0.21 -0.29 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 1s60 h TRP 103 Cb 0.47 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1s60 h TRP 103 CO -0.00 1.05 -0.11 0.78 -2.79 0.00 0.00 178.44 177.38 1s60 h GLY 104 N 0.20 0.00 0.38 2.65 0.00 -1.01 -2.96 103.07 102.34 1s60 h GLY 104 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1s60 h GLY 104 CO 0.09 0.00 -0.14 -0.84 0.00 0.00 0.00 176.54 175.65 1s60 h THR 105 N 0.00 0.35 0.00 4.70 2.02 -0.11 -1.07 112.91 118.80 1s60 h THR 105 Ca -0.00 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1s60 h THR 105 Cb 0.87 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1s60 h THR 105 CO 0.01 0.09 0.00 0.59 0.37 0.00 0.00 175.52 176.58 1s60 n ASN 106 N -5.04 0.00 -0.06 4.18 5.03 -1.06 0.16 115.26 118.48 1s60 n ASN 106 Ca -0.07 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.44 1s60 n ASN 106 Cb 0.23 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 39.07 1s60 n ASN 106 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1s60 n LYS 107 N -0.87 1.83 0.00 3.52 4.81 -1.12 -5.00 118.16 121.33 1s60 n LYS 107 Ca 0.00 -2.04 0.00 0.00 -0.87 0.00 0.00 58.31 55.40 1s60 n LYS 107 Cb 0.00 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1s60 n LYS 107 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s60 n GLY 108 N -0.98 2.36 3.67 3.14 0.00 0.12 -4.96 105.19 108.55 1s60 n GLY 108 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1s60 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s60 h ARG 110 N 9.33 0.33 -5.31 0.00 3.08 -1.86 -3.40 114.38 116.55 1s60 h ARG 110 Ca -0.41 -0.31 -0.44 0.00 0.07 0.00 0.00 59.98 58.88 1s60 h ARG 110 Cb 1.19 0.08 -0.25 0.00 0.08 0.00 0.00 29.97 31.07 1s60 h ARG 110 CO 0.94 0.99 -0.79 -1.21 -1.07 0.00 0.00 179.97 178.83 1s60 s GLU 111 N -3.41 0.94 -0.37 0.04 2.02 -1.26 -5.08 118.70 111.58 1s60 s GLU 111 Ca -0.05 -0.74 -0.09 0.00 0.02 0.00 0.00 54.97 54.11 1s60 s GLU 111 Cb 0.10 -0.95 0.04 0.00 0.10 0.00 0.00 34.13 33.43 1s60 s GLU 111 CO 0.84 0.23 0.18 1.41 0.02 0.00 0.00 175.26 177.95 1s60 s MET 112 N -1.10 2.70 0.63 1.61 -2.45 -1.26 -1.63 119.30 117.81 1s60 s MET 112 Ca 0.02 -1.19 -0.01 0.00 -1.25 0.00 0.00 55.69 53.26 1s60 s MET 112 Cb -0.08 -3.65 0.07 0.00 1.25 0.00 0.00 34.83 32.42 1s60 s MET 112 CO 0.01 -0.74 0.88 0.00 1.05 0.00 0.00 175.02 176.22 1s60 s ALA 113 N 1.48 3.72 0.08 4.11 0.00 -0.00 -4.95 121.76 126.19 1s60 s ALA 113 Ca 0.01 -1.38 -0.26 0.00 0.00 0.00 0.00 51.96 50.32 1s60 s ALA 113 Cb -0.20 -2.14 0.09 0.00 0.00 0.00 0.00 23.12 20.87 1s60 s ALA 113 CO 0.04 -1.05 1.14 0.45 0.00 0.00 0.00 175.76 176.34 1s60 s SER 114 N -4.53 -0.05 0.07 0.00 0.15 -1.26 -1.88 113.70 106.19 1s60 s SER 114 Ca 0.60 -0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.71 1s60 s SER 114 Cb -0.09 0.33 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1s60 s SER 114 CO 0.41 -0.64 0.42 1.51 1.20 0.00 0.00 173.24 176.14 1s60 s ASP 115 N -3.25 -0.28 0.16 5.45 1.47 -1.26 -4.97 116.67 113.98 1s60 s ASP 115 Ca 0.19 -0.08 -0.10 0.00 1.18 0.00 0.00 52.55 53.74 1s60 s ASP 115 Cb 0.00 0.45 -0.00 0.00 -0.34 0.00 0.00 42.92 43.03 1s60 s ASP 115 CO 0.01 -0.73 0.30 0.28 0.68 0.00 0.00 175.17 175.72 1s60 s THR 116 N -2.87 0.07 0.20 2.11 -1.32 -1.26 -5.04 115.64 107.52 1s60 s THR 116 Ca -0.03 -1.28 -0.18 0.00 -1.21 0.00 0.00 61.69 58.99 1s60 s THR 116 Cb 0.00 -1.74 -0.08 0.00 -1.51 0.00 0.00 72.50 69.17 1s60 s THR 116 CO -0.05 -0.31 0.68 -0.55 -2.21 0.00 0.00 174.62 172.17 1s60 s SER 117 N -2.94 7.00 0.21 8.08 0.15 -1.26 -5.00 113.70 119.94 1s60 s SER 117 Ca 0.15 1.33 -0.10 0.00 0.70 0.00 0.00 55.95 58.03 1s60 s SER 117 Cb 0.03 -2.39 0.25 0.00 -1.71 0.00 0.00 66.02 62.20 1s60 s SER 117 CO -0.02 0.05 1.78 -0.65 1.20 0.00 0.00 173.24 175.60 1s60 h PRO 118 N 3.48 0.53 0.00 5.44 0.11 -2.01 0.30 132.00 139.84 1s60 h PRO 118 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1s60 h PRO 118 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1s60 h PRO 118 CO 0.65 0.35 0.05 0.93 -0.21 0.00 0.00 178.00 179.77 1s60 h GLU 119 N 0.55 0.00 -4.91 1.05 3.07 -2.08 -3.35 114.58 108.90 1s60 h GLU 119 Ca 0.30 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.45 1s60 h GLU 119 Cb 0.27 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.00 1s60 h GLU 119 CO -0.23 0.00 0.92 1.21 -1.40 0.00 0.00 179.01 179.51 1s60 s ASN 120 N -4.17 6.74 0.04 1.42 3.84 0.09 -4.80 114.94 118.10 1s60 s ASN 120 Ca -0.03 -2.29 -0.16 0.00 0.21 0.00 0.00 52.86 50.59 1s60 s ASN 120 Cb 0.07 -2.39 -0.28 0.00 -0.55 0.00 0.00 41.25 38.10 1s60 s ASN 120 CO 0.23 -0.97 1.09 0.74 -2.79 0.00 0.00 177.10 175.39 1s60 h THR 121 N 5.53 1.32 -0.31 -5.21 2.02 -1.81 -2.07 112.91 112.37 1s60 h THR 121 Ca 0.19 -2.40 -0.00 0.00 0.77 0.00 0.00 66.41 64.96 1s60 h THR 121 Cb 0.99 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 70.09 1s60 h THR 121 CO 1.12 0.72 0.18 0.40 0.37 0.00 0.00 175.52 178.32 1s60 h ILE 122 N 0.18 1.12 0.22 3.11 2.04 -1.95 0.50 117.51 122.73 1s60 h ILE 122 Ca -0.17 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1s60 h ILE 122 Cb 1.80 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1s60 h ILE 122 CO 0.21 0.12 -0.23 -1.28 0.00 0.00 0.00 178.15 176.97 1s60 h SER 123 N 0.39 -0.62 -0.74 1.72 0.87 -1.95 -1.36 113.55 111.86 1s60 h SER 123 Ca 0.11 0.06 0.15 0.00 -1.23 0.00 0.00 61.79 60.87 1s60 h SER 123 Cb 0.03 0.21 -0.14 0.00 -0.44 0.00 0.00 62.40 62.07 1s60 h SER 123 CO -0.02 -0.34 -0.19 1.56 -0.53 0.00 0.00 176.83 177.32 1s60 h GLN 124 N -0.49 -0.00 0.64 2.24 4.20 -0.86 -0.52 115.11 120.32 1s60 h GLN 124 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1s60 h GLN 124 Cb 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.25 1s60 h GLN 124 CO -0.06 -0.00 -0.31 0.87 -0.67 0.00 0.00 178.83 178.66 1s60 h LYS 125 N -0.00 -0.83 -0.79 1.46 1.57 -0.62 -2.79 116.57 114.56 1s60 h LYS 125 Ca 0.35 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.34 1s60 h LYS 125 Cb 0.54 0.19 -0.15 0.00 0.08 0.00 0.00 32.23 32.89 1s60 h LYS 125 CO -0.76 -0.54 -0.25 0.28 -0.57 0.00 0.00 179.45 177.60 1s60 h VAL 126 N -0.89 0.16 -0.95 0.50 2.07 -0.46 0.52 116.25 117.21 1s60 h VAL 126 Ca -0.09 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1s60 h VAL 126 Cb 0.67 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1s60 h VAL 126 CO 0.14 0.00 0.61 0.45 0.02 0.00 0.00 177.57 178.79 1s60 h HIS 127 N -0.03 1.05 -0.06 1.57 3.86 -0.99 0.02 115.15 120.57 1s60 h HIS 127 Ca 0.35 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.56 1s60 h HIS 127 Cb 0.59 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1s60 h HIS 127 CO -0.67 0.46 -0.08 1.96 0.86 0.00 0.00 177.93 180.46 1s60 h GLN 128 N 0.95 0.15 -0.81 2.45 1.08 0.12 0.12 115.11 119.18 1s60 h GLN 128 Ca 0.45 -0.09 0.13 0.00 -1.45 0.00 0.00 58.65 57.69 1s60 h GLN 128 Cb 0.43 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.78 1s60 h GLN 128 CO -0.21 0.64 0.40 0.00 -0.95 0.00 0.00 178.83 178.71 1s60 h ALA 129 N 0.52 1.18 -0.04 3.87 0.00 0.51 0.16 119.26 125.45 1s60 h ALA 129 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1s60 h ALA 129 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1s60 h ALA 129 CO 0.02 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1s60 n LEU 130 N -4.88 1.31 -1.32 0.00 4.77 -0.11 -4.85 117.00 111.92 1s60 n LEU 130 Ca 0.15 -0.66 -0.10 0.00 -0.03 0.00 0.00 56.01 55.38 1s60 n LEU 130 Cb 0.39 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1s60 n LEU 130 CO 0.22 0.27 -0.05 0.61 -1.33 0.00 0.00 177.39 177.11 1s60 n GLY 131 N 0.05 0.07 3.82 -0.72 0.00 0.04 -5.02 105.19 103.43 1s60 n GLY 131 Ca 0.02 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1s60 n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s60 s PHE 132 N -2.67 3.49 -0.15 1.61 0.40 0.42 -5.02 117.98 116.05 1s60 s PHE 132 Ca 0.08 0.43 -0.07 0.00 -0.60 0.00 0.00 56.93 56.76 1s60 s PHE 132 Cb -0.03 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 1s60 s PHE 132 CO 0.10 0.62 0.10 -1.21 0.70 0.00 0.00 175.22 175.53 1s60 s GLU 133 N -0.80 3.73 -0.09 0.44 2.02 -1.26 -4.13 118.70 118.61 1s60 s GLU 133 Ca 0.13 -0.24 -0.29 0.00 0.02 0.00 0.00 54.97 54.59 1s60 s GLU 133 Cb -0.12 -3.21 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 1s60 s GLU 133 CO 0.03 0.51 1.67 -2.00 0.02 0.00 0.00 175.26 175.49 1s60 s GLU 134 N -0.28 4.06 -0.22 1.61 2.12 -1.26 -4.92 118.70 119.82 1s60 s GLU 134 Ca 0.10 2.08 -0.19 0.00 0.36 0.00 0.00 54.97 57.32 1s60 s GLU 134 Cb -0.12 -4.01 -0.16 0.00 0.26 0.00 0.00 34.13 30.10 1s60 s GLU 134 CO 0.01 -0.98 0.05 0.25 -0.54 0.00 0.00 175.26 174.05 1s60 n THR 135 N 5.75 1.52 -3.52 -1.70 -2.24 -1.26 -5.05 114.28 107.78 1s60 n THR 135 Ca 0.18 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1s60 n THR 135 Cb 0.43 -2.05 -0.04 0.00 -2.10 0.00 0.00 70.33 66.57 1s60 n THR 135 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1s60 s GLU 136 N -2.39 1.13 0.04 -0.78 2.12 -1.26 -4.95 118.70 112.61 1s60 s GLU 136 Ca -0.30 -0.30 0.07 0.00 0.36 0.00 0.00 54.97 54.80 1s60 s GLU 136 Cb 0.07 0.52 -0.03 0.00 0.26 0.00 0.00 34.13 34.95 1s60 s GLU 136 CO 0.53 -0.44 -0.18 1.03 -0.54 0.00 0.00 175.26 175.66 1s60 s ARG 137 N -2.89 2.07 0.15 4.30 0.52 -1.26 -5.02 118.95 116.83 1s60 s ARG 137 Ca -0.03 -0.98 -0.13 0.00 -0.52 0.00 0.00 55.73 54.08 1s60 s ARG 137 Cb -0.00 -2.19 0.01 0.00 0.52 0.00 0.00 34.95 33.29 1s60 s ARG 137 CO -0.05 0.54 0.36 0.14 0.02 0.00 0.00 175.30 176.30 1s60 s VAL 138 N -0.92 0.07 -0.10 3.52 -7.23 -1.26 -5.14 120.40 109.34 1s60 s VAL 138 Ca 0.14 -1.03 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 1s60 s VAL 138 Cb -0.10 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1s60 s VAL 138 CO 0.05 -0.31 -0.04 -0.63 -0.31 0.00 0.00 175.10 173.86 1s60 s ILE 139 N -3.89 3.94 0.20 -0.62 1.01 -1.26 -5.13 121.20 115.44 1s60 s ILE 139 Ca 0.10 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.44 1s60 s ILE 139 Cb 0.02 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1s60 s ILE 139 CO -0.05 0.56 0.10 -0.36 0.00 0.00 0.00 174.94 175.20 1s60 s PHE 140 N -0.43 3.02 0.06 3.97 0.40 -1.26 -5.13 117.98 118.61 1s60 s PHE 140 Ca 0.07 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1s60 s PHE 140 Cb -0.12 -1.42 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 1s60 s PHE 140 CO 0.02 0.53 -0.05 0.71 0.70 0.00 0.00 175.22 177.13 1s60 s TYR 141 N -1.89 0.60 0.03 0.36 1.51 -1.26 -5.16 117.35 111.53 1s60 s TYR 141 Ca 0.31 -0.86 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1s60 s TYR 141 Cb -0.09 -0.39 -0.02 0.00 -0.11 0.00 0.00 41.96 41.35 1s60 s TYR 141 CO 0.22 -0.24 -0.07 0.50 -1.11 0.00 0.00 175.55 174.85 1s60 s ARG 142 N -3.15 0.51 -0.10 -0.62 3.52 -1.26 -5.15 118.95 112.69 1s60 s ARG 142 Ca 0.02 -0.67 -0.14 0.00 -0.13 0.00 0.00 55.73 54.81 1s60 s ARG 142 Cb 0.02 -0.31 0.03 0.00 -1.56 0.00 0.00 34.95 33.13 1s60 s ARG 142 CO -0.06 0.06 0.36 0.21 -0.81 0.00 0.00 175.30 175.06 1s60 s LYS 143 N -1.35 0.51 0.33 5.12 2.20 -1.26 -5.15 119.74 120.14 1s60 s LYS 143 Ca -0.08 0.32 -0.13 0.00 -0.36 0.00 0.00 55.97 55.71 1s60 s LYS 143 Cb -0.09 0.24 -0.08 0.00 -1.51 0.00 0.00 37.83 36.39 1s60 s LYS 143 CO 0.00 -0.09 0.72 0.50 -0.36 0.00 0.00 175.35 176.11 1s60 s ARG 144 N -0.25 3.91 0.00 4.03 3.52 -1.26 -5.38 118.95 123.52 1s60 s ARG 144 Ca -0.04 0.55 0.26 0.00 -0.13 0.00 0.00 55.73 56.38 1s60 s ARG 144 Cb -0.03 -2.45 0.71 0.00 -1.56 0.00 0.00 34.95 31.61 1s60 s ARG 144 CO 0.02 0.13 1.55 0.00 -0.81 0.00 0.00 175.30 176.19