#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3io8 s LEU -2 N 0.00 4.32 0.00 2.45 1.43 -1.26 -5.09 118.68 120.54 3io8 s LEU -2 Ca 0.00 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3io8 s LEU -2 Cb 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.65 3io8 s LEU -2 CO 0.00 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.31 3io8 n GLY -1 N 2.88 1.41 3.74 -3.19 0.00 -1.26 -5.03 105.19 103.74 3io8 n GLY -1 Ca -0.10 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 3io8 n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3io8 s SER 0 N -1.00 6.38 0.53 1.61 0.15 -1.26 -4.89 113.70 115.23 3io8 s SER 0 Ca 0.00 2.91 0.29 0.00 0.70 0.00 0.00 55.95 59.85 3io8 s SER 0 Cb 0.00 -2.62 1.45 0.00 -1.71 0.00 0.00 66.02 63.14 3io8 s SER 0 CO 0.00 -0.93 2.05 0.24 1.20 0.00 0.00 173.24 175.80 3io8 h MET 1 N 5.67 0.00 0.18 5.44 0.00 -1.99 -1.36 114.93 122.87 3io8 h MET 1 Ca -0.45 0.00 -0.33 0.00 0.00 0.00 0.00 59.70 58.92 3io8 h MET 1 Cb 1.21 0.00 0.01 0.00 0.00 0.00 0.00 31.60 32.82 3io8 h MET 1 CO 0.86 0.11 -1.57 0.66 0.00 0.00 0.00 176.91 176.97 3io8 h SER 2 N 0.00 0.58 0.04 1.22 4.64 -1.98 -2.46 113.55 115.59 3io8 h SER 2 Ca -0.00 -0.76 -0.06 0.00 -0.47 0.00 0.00 61.79 60.50 3io8 h SER 2 Cb 0.39 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3io8 h SER 2 CO 0.01 1.62 -0.19 1.56 -0.87 0.00 0.00 176.83 178.97 3io8 h GLN 3 N 0.10 0.28 0.44 4.77 1.08 -1.89 0.28 115.11 120.17 3io8 h GLN 3 Ca -0.27 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 56.83 3io8 h GLN 3 Cb 2.08 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.48 3io8 h GLN 3 CO 0.20 0.47 -0.21 1.03 -0.95 0.00 0.00 178.83 179.36 3io8 h SER 4 N 0.26 -0.51 -0.22 1.46 0.87 -1.32 -2.11 113.55 111.99 3io8 h SER 4 Ca 0.05 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3io8 h SER 4 Cb 0.49 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3io8 h SER 4 CO 0.03 -0.26 0.07 0.78 -0.53 0.00 0.00 176.83 176.93 3io8 h ASN 5 N -0.74 0.37 0.65 6.23 4.21 -0.98 -2.26 115.58 123.07 3io8 h ASN 5 Ca -0.06 -0.04 -0.16 0.00 1.21 0.00 0.00 56.30 57.25 3io8 h ASN 5 Cb 0.53 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 3io8 h ASN 5 CO 0.10 0.38 -0.73 -0.09 -1.29 0.00 0.00 177.43 175.80 3io8 h ARG 6 N 0.41 0.06 -0.22 0.81 2.43 -0.46 -3.04 114.38 114.36 3io8 h ARG 6 Ca 0.10 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 3io8 h ARG 6 Cb 0.15 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3io8 h ARG 6 CO -0.00 0.76 -0.35 1.49 -1.51 0.00 0.00 179.97 180.35 3io8 h GLU 7 N 0.04 0.48 0.00 0.20 4.81 -0.76 -0.38 114.58 118.97 3io8 h GLU 7 Ca -0.01 -0.22 -0.16 0.00 -0.13 0.00 0.00 59.36 58.84 3io8 h GLU 7 Cb 1.28 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.67 3io8 h GLU 7 CO 0.10 0.77 -0.62 1.25 -0.73 0.00 0.00 179.01 179.78 3io8 h LEU 8 N 0.40 0.54 -0.64 1.64 5.85 -1.60 -2.01 115.31 119.49 3io8 h LEU 8 Ca 0.04 -0.77 0.06 0.00 0.84 0.00 0.00 57.88 58.05 3io8 h LEU 8 Cb 0.81 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 3io8 h LEU 8 CO 0.07 1.23 0.35 0.58 -0.34 0.00 0.00 178.44 180.33 3io8 h VAL 9 N -0.11 0.97 -0.12 1.05 2.07 -1.40 -0.36 116.25 118.34 3io8 h VAL 9 Ca -0.08 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 3io8 h VAL 9 Cb 1.33 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3io8 h VAL 9 CO 0.12 0.12 -0.26 0.58 0.02 0.00 0.00 177.57 178.15 3io8 h VAL 10 N 0.66 1.24 0.02 2.57 2.07 -1.09 -2.63 116.25 119.09 3io8 h VAL 10 Ca 0.28 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3io8 h VAL 10 Cb 0.17 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3io8 h VAL 10 CO -0.18 0.34 -0.01 -0.78 0.02 0.00 0.00 177.57 176.97 3io8 h ASP 11 N 0.20 -0.02 0.52 0.57 3.58 -0.50 -2.99 116.42 117.78 3io8 h ASP 11 Ca 0.03 -0.48 -0.00 0.00 0.42 0.00 0.00 57.03 56.99 3io8 h ASP 11 Cb 0.58 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 3io8 h ASP 11 CO 0.04 0.48 -0.02 0.15 -2.88 0.00 0.00 179.24 177.01 3io8 h PHE 12 N -0.54 0.00 0.19 0.28 3.04 -1.06 -2.82 116.94 116.04 3io8 h PHE 12 Ca -0.00 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.62 3io8 h PHE 12 Cb 0.51 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.03 3io8 h PHE 12 CO 0.10 0.02 -1.57 -0.07 -2.02 0.00 0.00 178.31 174.76 3io8 h LEU 13 N 0.00 0.62 -0.53 0.59 3.38 -1.50 -3.26 115.31 114.62 3io8 h LEU 13 Ca -0.00 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.17 3io8 h LEU 13 Cb 0.28 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3io8 h LEU 13 CO 0.00 1.64 0.30 0.28 0.09 0.00 0.00 178.44 180.76 3io8 h SER 14 N 0.11 0.65 -0.96 -0.43 0.02 -1.34 -1.66 113.55 109.93 3io8 h SER 14 Ca -0.27 -0.08 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3io8 h SER 14 Cb 2.09 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 64.41 3io8 h SER 14 CO 0.21 0.54 0.62 0.22 -1.14 0.00 0.00 176.83 177.28 3io8 h TYR 15 N 0.70 1.17 -0.01 3.45 3.20 -1.65 0.41 116.97 124.24 3io8 h TYR 15 Ca 0.19 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.95 3io8 h TYR 15 Cb 0.02 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 3io8 h TYR 15 CO -0.02 0.69 -0.64 0.87 -1.64 0.00 0.00 178.16 177.41 3io8 h LYS 16 N 1.22 0.04 0.03 1.82 1.79 -1.53 -2.27 116.57 117.68 3io8 h LYS 16 Ca 0.38 -0.03 -0.26 0.00 -2.18 0.00 0.00 60.65 58.56 3io8 h LYS 16 Cb -0.02 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3io8 h LYS 16 CO -0.12 0.67 -1.06 -0.07 -1.08 0.00 0.00 179.45 177.80 3io8 h LEU 17 N 0.03 0.71 -1.28 2.94 3.38 -0.34 -2.80 115.31 117.95 3io8 h LEU 17 Ca -0.01 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.32 3io8 h LEU 17 Cb 1.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3io8 h LEU 17 CO 0.09 1.40 0.01 0.77 0.09 0.00 0.00 178.44 180.80 3io8 h SER 18 N 0.28 0.46 -0.12 -0.43 4.64 0.28 1.78 113.55 120.44 3io8 h SER 18 Ca -0.12 -0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 60.98 3io8 h SER 18 Cb 1.71 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.67 3io8 h SER 18 CO 0.19 0.52 -0.39 1.56 -0.87 0.00 0.00 176.83 177.84 3io8 h GLN 19 N 0.48 0.65 -0.74 4.77 4.20 -1.43 -3.06 115.11 119.98 3io8 h GLN 19 Ca 0.11 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 3io8 h GLN 19 Cb 0.29 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3io8 h GLN 19 CO 0.01 0.93 0.07 1.63 -0.67 0.00 0.00 178.83 180.79 3io8 n LYS 20 N -4.04 3.59 -2.56 1.46 4.76 -0.80 -4.89 118.16 115.67 3io8 n LYS 20 Ca -0.02 -2.28 -0.05 0.00 -2.87 0.00 0.00 58.31 53.09 3io8 n LYS 20 Cb 0.52 -2.04 0.01 0.00 -1.84 0.00 0.00 35.03 31.69 3io8 n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3io8 n GLY 21 N 0.30 0.49 3.42 0.72 0.00 -0.64 -5.01 105.19 104.46 3io8 n GLY 21 Ca 0.23 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3io8 n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3io8 s TYR 22 N -2.83 1.75 -0.20 1.61 2.02 0.60 -4.97 117.35 115.32 3io8 s TYR 22 Ca 0.10 -1.41 -0.16 0.00 -0.37 0.00 0.00 57.07 55.22 3io8 s TYR 22 Cb -0.04 -0.98 0.06 0.00 -0.40 0.00 0.00 41.96 40.59 3io8 s TYR 22 CO 0.12 -0.50 0.52 -1.54 -1.57 0.00 0.00 175.55 172.58 3io8 s SER 23 N -3.51 -0.58 0.07 2.29 1.04 -1.26 -2.19 113.70 109.57 3io8 s SER 23 Ca 0.30 1.07 -0.22 0.00 0.48 0.00 0.00 55.95 57.58 3io8 s SER 23 Cb 0.03 1.05 -0.13 0.00 0.10 0.00 0.00 66.02 67.06 3io8 s SER 23 CO 0.19 -0.19 1.63 -0.25 0.98 0.00 0.00 173.24 175.60 3io8 h TRP 24 N 5.82 0.12 -4.25 5.02 2.91 -1.93 -3.47 115.95 120.17 3io8 h TRP 24 Ca -0.30 -0.01 -0.36 0.00 1.13 0.00 0.00 58.89 59.36 3io8 h TRP 24 Cb 1.18 -0.04 -0.09 0.00 -0.51 0.00 0.00 29.16 29.70 3io8 h TRP 24 CO 0.33 0.21 -0.32 -1.13 -1.03 0.00 0.00 178.44 176.50 3io8 n SER 25 N -4.95 -0.78 0.13 2.65 3.41 -1.26 -4.98 113.62 107.84 3io8 n SER 25 Ca -0.06 -2.81 -0.01 0.00 -0.26 0.00 0.00 58.87 55.73 3io8 n SER 25 Cb 0.10 1.66 0.22 0.00 -0.26 0.00 0.00 64.21 65.93 3io8 n SER 25 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3io8 h GLN 26 N 0.00 0.09 -0.51 4.33 4.15 -1.99 -2.56 115.11 118.63 3io8 h GLN 26 Ca -0.21 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.03 3io8 h GLN 26 Cb 1.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 3io8 h GLN 26 CO 0.30 0.58 -0.16 1.98 -1.93 0.00 0.00 178.83 179.60 3io8 h MET 83 N 0.07 1.01 -0.48 1.69 4.05 -1.99 -1.91 114.93 117.37 3io8 h MET 83 Ca -0.00 -0.40 -0.14 0.00 -0.28 0.00 0.00 59.70 58.88 3io8 h MET 83 Cb 0.93 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 3io8 h MET 83 CO 0.07 1.09 -0.23 0.00 0.23 0.00 0.00 176.91 178.07 3io8 h ALA 84 N 0.89 0.68 0.00 0.39 0.00 -1.91 -2.08 119.26 117.23 3io8 h ALA 84 Ca 0.12 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3io8 h ALA 84 Cb 0.74 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3io8 h ALA 84 CO 0.06 0.68 -0.65 0.00 0.00 0.00 0.00 179.25 179.34 3io8 h ALA 85 N 0.87 0.83 -0.07 0.00 0.00 -1.44 -3.03 119.26 116.41 3io8 h ALA 85 Ca 0.11 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 3io8 h ALA 85 Cb 0.81 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.51 3io8 h ALA 85 CO 0.07 0.81 -0.74 0.28 0.00 0.00 0.00 179.25 179.67 3io8 h VAL 86 N 0.00 1.33 -0.15 0.00 2.07 -1.29 -2.99 116.25 115.22 3io8 h VAL 86 Ca -0.01 -2.03 0.05 0.00 0.82 0.00 0.00 66.70 65.54 3io8 h VAL 86 Cb 1.22 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 33.21 3io8 h VAL 86 CO 0.08 0.62 -0.20 0.11 0.02 0.00 0.00 177.57 178.20 3io8 h LYS 87 N 0.26 -0.24 -0.38 1.57 1.57 -1.35 -1.12 116.57 116.88 3io8 h LYS 87 Ca -0.07 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3io8 h LYS 87 Cb 1.40 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 3io8 h LYS 87 CO 0.15 -0.16 -0.08 1.96 -0.57 0.00 0.00 179.45 180.75 3io8 h GLN 88 N -0.25 0.64 -0.64 3.15 1.08 -1.62 -0.13 115.11 117.34 3io8 h GLN 88 Ca 0.11 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.07 3io8 h GLN 88 Cb 0.40 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 3io8 h GLN 88 CO -0.29 0.71 0.18 0.00 -0.95 0.00 0.00 178.83 178.48 3io8 h ALA 89 N 1.33 1.13 -0.02 3.87 0.00 -1.28 -2.12 119.26 122.17 3io8 h ALA 89 Ca 0.11 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3io8 h ALA 89 Cb 0.49 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3io8 h ALA 89 CO 0.03 0.60 -0.92 1.25 0.00 0.00 0.00 179.25 180.20 3io8 h LEU 90 N 0.94 0.64 -0.90 0.00 5.85 -0.64 -0.66 115.31 120.54 3io8 h LEU 90 Ca 0.21 -0.49 0.07 0.00 0.84 0.00 0.00 57.88 58.50 3io8 h LEU 90 Cb 0.29 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3io8 h LEU 90 CO -0.01 1.28 0.56 0.03 -0.34 0.00 0.00 178.44 179.97 3io8 h ARG 91 N 0.30 0.99 0.03 1.25 3.08 -0.84 -0.27 114.38 118.91 3io8 h ARG 91 Ca -0.08 -0.06 -0.27 0.00 0.07 0.00 0.00 59.98 59.64 3io8 h ARG 91 Cb 1.55 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 3io8 h ARG 91 CO 0.17 0.65 -1.45 1.05 -1.07 0.00 0.00 179.97 179.32 3io8 h GLU 92 N 1.02 0.07 -0.37 0.04 4.11 -1.30 -2.44 114.58 115.71 3io8 h GLU 92 Ca 0.40 -0.12 -0.05 0.00 0.07 0.00 0.00 59.36 59.65 3io8 h GLU 92 Cb 0.20 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3io8 h GLU 92 CO -0.18 0.83 0.01 0.00 0.07 0.00 0.00 179.01 179.74 3io8 h ALA 93 N 0.84 1.33 0.16 1.06 0.00 -1.04 -1.83 119.26 119.77 3io8 h ALA 93 Ca -0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3io8 h ALA 93 Cb 1.94 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3io8 h ALA 93 CO 0.12 0.46 -0.08 0.78 0.00 0.00 0.00 179.25 180.53 3io8 h GLY 94 N 0.87 -0.22 1.05 0.00 0.00 -0.97 1.00 103.07 104.80 3io8 h GLY 94 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3io8 h GLY 94 CO 0.01 -0.08 0.60 -0.55 0.00 0.00 0.00 176.54 176.52 3io8 h ASP 95 N -0.44 1.11 -0.87 0.19 3.32 -1.43 0.36 116.42 118.67 3io8 h ASP 95 Ca -0.02 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3io8 h ASP 95 Cb 0.34 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3io8 h ASP 95 CO 0.04 0.83 0.45 -0.08 -1.72 0.00 0.00 179.24 178.75 3io8 h GLU 96 N 1.29 1.22 -0.28 3.56 4.57 -1.19 0.47 114.58 124.22 3io8 h GLU 96 Ca 0.34 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 58.31 3io8 h GLU 96 Cb -0.10 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.25 3io8 h GLU 96 CO -0.07 0.91 -0.02 0.35 -1.18 0.00 0.00 179.01 179.00 3io8 h PHE 97 N 1.22 0.56 -0.31 0.92 3.04 0.26 -1.92 116.94 120.71 3io8 h PHE 97 Ca 0.30 -0.11 0.06 0.00 3.98 0.00 0.00 57.97 62.21 3io8 h PHE 97 Cb 0.06 -0.14 -0.06 0.00 2.56 0.00 0.00 35.95 38.37 3io8 h PHE 97 CO 0.01 0.68 -0.09 0.93 -2.02 0.00 0.00 178.31 177.82 3io8 h GLU 98 N 0.28 -0.01 0.21 1.11 5.08 0.09 -2.29 114.58 119.05 3io8 h GLU 98 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3io8 h GLU 98 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3io8 h GLU 98 CO 0.02 -0.01 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.81 3io8 h LEU 99 N -0.01 -0.34 -1.93 1.33 3.38 -0.84 -1.12 115.31 115.78 3io8 h LEU 99 Ca 0.15 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3io8 h LEU 99 Cb 0.24 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3io8 h LEU 99 CO -0.33 -0.22 -0.11 0.03 0.09 0.00 0.00 178.44 177.90 3io8 h ARG 100 N -0.34 0.00 -0.33 1.13 3.08 -1.21 -3.31 114.38 113.40 3io8 h ARG 100 Ca -0.02 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.79 3io8 h ARG 100 Cb 0.29 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.96 3io8 h ARG 100 CO 0.02 0.11 -1.04 0.66 -1.07 0.00 0.00 179.97 178.64 3io8 n TYR 101 N -3.62 1.01 0.00 3.04 4.01 -0.87 -4.87 117.16 115.85 3io8 n TYR 101 Ca -0.02 -1.68 0.18 0.00 -0.16 0.00 0.00 57.90 56.22 3io8 n TYR 101 Cb 0.23 -0.22 0.65 0.00 -0.31 0.00 0.00 39.34 39.70 3io8 n TYR 101 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3io8 h ARG 102 N 2.07 0.07 -0.65 -0.72 3.08 -1.30 -2.33 114.38 114.60 3io8 h ARG 102 Ca -0.11 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.06 3io8 h ARG 102 Cb 1.45 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.40 3io8 h ARG 102 CO 0.21 0.05 0.19 0.07 -1.07 0.00 0.00 179.97 179.41 3io8 h ARG 103 N 0.07 0.31 -0.93 0.04 0.11 -1.89 -2.88 114.38 109.21 3io8 h ARG 103 Ca 0.24 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 60.21 3io8 h ARG 103 Cb 0.86 -0.07 -0.06 0.00 1.11 0.00 0.00 29.97 31.81 3io8 h ARG 103 CO -0.02 0.21 0.12 0.00 0.10 0.00 0.00 179.97 180.38 3io8 n ALA 104 N -2.57 3.29 0.40 0.08 0.00 -0.88 -3.56 120.51 117.28 3io8 n ALA 104 Ca 0.11 -0.83 0.05 0.00 0.00 0.00 0.00 53.44 52.76 3io8 n ALA 104 Cb 0.35 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.71 3io8 n ALA 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3io8 n PHE 105 N 0.07 0.00 -2.25 0.00 3.72 -1.09 -5.04 117.46 112.86 3io8 n PHE 105 Ca 0.15 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 3io8 n PHE 105 Cb 0.75 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.26 3io8 n PHE 105 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3io8 s SER 106 N -1.12 6.90 -1.10 4.37 1.04 -1.23 -4.22 113.70 118.34 3io8 s SER 106 Ca 0.09 2.20 -0.16 0.00 0.48 0.00 0.00 55.95 58.56 3io8 s SER 106 Cb 0.08 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.64 3io8 s SER 106 CO 0.19 -0.61 0.29 0.47 0.98 0.00 0.00 173.24 174.56 3io8 n ASP 107 N 4.19 -1.41 -4.18 7.02 9.92 -1.26 -5.00 116.55 125.83 3io8 n ASP 107 Ca 0.11 -1.05 -0.40 0.00 -0.53 0.00 0.00 54.79 52.92 3io8 n ASP 107 Cb 0.44 -1.27 -0.07 0.00 -0.64 0.00 0.00 41.12 39.58 3io8 n ASP 107 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 3io8 s LEU 108 N -6.80 5.80 0.00 0.64 0.05 -1.26 -4.95 118.68 112.16 3io8 s LEU 108 Ca 0.22 -2.85 0.00 0.00 0.05 0.00 0.00 54.13 51.54 3io8 s LEU 108 Cb -0.12 -1.99 0.00 0.00 -2.05 0.00 0.00 46.19 42.03 3io8 s LEU 108 CO 0.79 -0.43 0.00 -0.11 -0.55 0.00 0.00 176.35 176.06 3io8 n LEU 112 N 3.58 0.00 -3.59 1.48 7.94 -1.26 -4.61 117.00 120.54 3io8 n LEU 112 Ca 0.11 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.82 3io8 n LEU 112 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 3io8 n LEU 112 CO 0.34 0.00 -0.10 1.41 -1.11 0.00 0.00 177.39 177.92 3io8 n HIS 113 N 0.00 -2.32 -3.02 1.96 8.25 -1.26 -4.90 115.22 113.93 3io8 n HIS 113 Ca 0.00 0.93 -0.44 0.00 -0.26 0.00 0.00 57.72 57.95 3io8 n HIS 113 Cb 0.00 -3.06 -0.04 0.00 1.12 0.00 0.00 29.99 28.01 3io8 n HIS 113 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3io8 s ILE 114 N -2.91 4.67 0.13 1.59 2.07 -1.26 -4.96 121.20 120.53 3io8 s ILE 114 Ca 0.02 -0.89 0.07 0.00 -1.41 0.00 0.00 60.65 58.44 3io8 s ILE 114 Cb -0.00 -4.58 -0.04 0.00 0.13 0.00 0.00 42.46 37.96 3io8 s ILE 114 CO 0.86 -1.27 -0.15 0.42 -1.91 0.00 0.00 174.94 172.88 3io8 s THR 115 N 3.06 1.46 -0.08 4.00 -4.23 -1.26 -5.01 115.64 113.58 3io8 s THR 115 Ca 0.17 -1.76 0.27 0.00 -1.18 0.00 0.00 61.69 59.18 3io8 s THR 115 Cb -0.19 -1.61 0.27 0.00 1.34 0.00 0.00 72.50 72.31 3io8 s THR 115 CO 0.05 -0.38 1.81 -0.65 -0.54 0.00 0.00 174.62 174.91 3io8 h PRO 116 N 3.46 0.00 0.00 3.99 0.11 -1.97 -2.92 132.00 134.67 3io8 h PRO 116 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3io8 h PRO 116 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3io8 h PRO 116 CO 0.50 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 3io8 n GLY 117 N -0.97 -2.47 2.00 -0.55 0.00 -1.26 -3.75 105.19 98.19 3io8 n GLY 117 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3io8 n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3io8 n THR 118 N -1.43 2.80 0.23 2.61 -2.24 -1.24 -4.67 114.28 110.34 3io8 n THR 118 Ca 0.00 -1.57 -0.14 0.00 -2.27 0.00 0.00 64.05 60.07 3io8 n THR 118 Cb 0.00 -0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 67.57 3io8 n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3io8 h ALA 119 N 1.20 -0.59 -0.56 6.98 0.00 -1.60 -0.50 119.26 124.19 3io8 h ALA 119 Ca 0.52 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3io8 h ALA 119 Cb 2.51 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 20.50 3io8 h ALA 119 CO 0.90 -0.71 -0.09 -0.92 0.00 0.00 0.00 179.25 178.44 3io8 h TYR 120 N -0.83 1.17 0.12 0.00 3.20 -1.84 -1.48 116.97 117.30 3io8 h TYR 120 Ca -0.06 -0.24 0.02 0.00 3.14 0.00 0.00 58.73 61.59 3io8 h TYR 120 Cb 0.56 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3io8 h TYR 120 CO 0.00 1.07 -0.27 0.37 -1.64 0.00 0.00 178.16 177.69 3io8 h GLN 121 N 0.94 -0.46 0.00 1.82 4.15 -1.88 0.51 115.11 120.19 3io8 h GLN 121 Ca 0.15 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 3io8 h GLN 121 Cb 0.66 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.46 3io8 h GLN 121 CO 0.05 -0.31 -0.01 0.77 -1.93 0.00 0.00 178.83 177.40 3io8 h SER 122 N -0.48 0.00 0.00 -0.69 0.02 -1.02 -3.14 113.55 108.23 3io8 h SER 122 Ca 0.03 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 3io8 h SER 122 Cb 0.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3io8 h SER 122 CO -0.15 0.01 -0.43 0.15 -1.14 0.00 0.00 176.83 175.26 3io8 h PHE 123 N 0.00 0.00 0.00 3.45 3.57 0.05 -3.24 116.94 120.77 3io8 h PHE 123 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3io8 h PHE 123 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3io8 h PHE 123 CO 0.00 0.77 0.10 -1.91 -2.23 0.00 0.00 178.31 175.04 3io8 n GLU 124 N -4.60 0.08 -0.08 1.11 2.13 0.16 -2.22 120.64 117.21 3io8 n GLU 124 Ca -0.14 0.54 -0.18 0.00 0.66 0.00 0.00 57.16 58.05 3io8 n GLU 124 Cb 0.40 -1.84 -0.13 0.00 0.27 0.00 0.00 31.44 30.14 3io8 n GLU 124 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3io8 n GLN 125 N -1.90 0.69 -0.20 5.31 6.02 -1.19 -3.01 117.38 123.10 3io8 n GLN 125 Ca -0.01 0.17 -0.06 0.00 -0.01 0.00 0.00 57.00 57.10 3io8 n GLN 125 Cb 0.11 -1.59 0.10 0.00 1.02 0.00 0.00 30.24 29.89 3io8 n GLN 125 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3io8 h VAL 126 N 0.02 1.25 -0.07 5.09 2.07 -1.47 -1.22 116.25 121.92 3io8 h VAL 126 Ca -0.52 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 3io8 h VAL 126 Cb 1.98 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3io8 h VAL 126 CO -0.02 0.35 -0.21 0.58 0.02 0.00 0.00 177.57 178.29 3io8 h VAL 127 N 0.96 1.42 -0.70 2.57 2.07 -1.66 0.18 116.25 121.08 3io8 h VAL 127 Ca 0.20 -1.58 0.15 0.00 0.82 0.00 0.00 66.70 66.29 3io8 h VAL 127 Cb 0.36 2.26 -0.11 0.00 -1.52 0.00 0.00 31.29 32.29 3io8 h VAL 127 CO 0.00 0.45 0.11 0.78 0.02 0.00 0.00 177.57 178.93 3io8 h ASN 128 N -0.22 -0.10 -0.47 0.57 4.21 -1.49 -1.53 115.58 116.54 3io8 h ASN 128 Ca -0.01 0.15 -0.13 0.00 1.21 0.00 0.00 56.30 57.53 3io8 h ASN 128 Cb 0.83 0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 38.25 3io8 h ASN 128 CO 0.05 -0.07 -0.22 -0.08 -1.29 0.00 0.00 177.43 175.81 3io8 h GLU 129 N 0.21 0.99 -0.22 0.81 4.57 -1.08 -1.38 114.58 118.48 3io8 h GLU 129 Ca 0.39 -0.42 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 3io8 h GLU 129 Cb 0.66 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.15 3io8 h GLU 129 CO -0.53 1.10 -0.20 1.25 -1.18 0.00 0.00 179.01 179.44 3io8 h LEU 130 N 0.85 -0.65 -2.71 1.64 5.85 0.34 -1.64 115.31 118.99 3io8 h LEU 130 Ca 0.11 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3io8 h LEU 130 Cb 0.79 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3io8 h LEU 130 CO 0.07 -0.24 0.00 0.49 -0.34 0.00 0.00 178.44 178.41 3io8 n PHE 131 N -5.35 1.34 -0.33 1.25 3.72 -0.85 -4.65 117.46 112.60 3io8 n PHE 131 Ca -0.01 -0.51 0.23 0.00 -0.05 0.00 0.00 57.45 57.11 3io8 n PHE 131 Cb 0.26 -0.28 0.43 0.00 -0.94 0.00 0.00 39.48 38.96 3io8 n PHE 131 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3io8 h ARG 132 N 3.25 0.03 0.00 -1.08 2.43 -0.23 -0.82 114.38 117.96 3io8 h ARG 132 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3io8 h ARG 132 Cb 1.36 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 3io8 h ARG 132 CO 0.25 0.02 -0.45 -0.40 -1.51 0.00 0.00 179.97 177.88 3io8 n ASP 133 N -5.35 1.76 0.00 -3.80 5.75 -1.26 -5.05 116.55 108.59 3io8 n ASP 133 Ca 0.30 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.38 3io8 n ASP 133 Cb 1.00 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3io8 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3io8 n GLY 134 N -1.09 3.79 3.76 6.12 0.00 -0.31 -5.11 105.19 112.35 3io8 n GLY 134 Ca 0.18 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 3io8 n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3io8 s VAL 135 N -2.21 4.19 0.37 1.61 1.01 -1.26 -4.52 120.40 119.58 3io8 s VAL 135 Ca 0.00 -1.38 -0.14 0.00 0.00 0.00 0.00 61.98 60.46 3io8 s VAL 135 Cb 0.00 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.23 3io8 s VAL 135 CO 0.00 -0.23 0.72 0.54 0.00 0.00 0.00 175.10 176.13 3io8 s ASN 136 N -3.42 0.14 0.38 3.32 2.20 -1.26 -5.03 114.94 111.27 3io8 s ASN 136 Ca 0.31 -1.16 0.13 0.00 -0.94 0.00 0.00 52.86 51.21 3io8 s ASN 136 Cb -0.09 0.81 0.76 0.00 -2.00 0.00 0.00 41.25 40.73 3io8 s ASN 136 CO 0.23 -1.59 1.84 -0.50 -2.94 0.00 0.00 177.10 174.14 3io8 h TRP 137 N 2.02 0.00 0.00 1.54 -0.00 -2.00 -2.71 115.95 114.80 3io8 h TRP 137 Ca -0.30 0.00 -0.18 0.00 -0.00 0.00 0.00 58.89 58.40 3io8 h TRP 137 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.39 3io8 h TRP 137 CO 1.30 0.35 -0.85 0.78 -0.00 0.00 0.00 178.44 180.02 3io8 h GLY 138 N 1.09 0.09 1.79 1.49 0.00 -1.99 -2.78 103.07 102.76 3io8 h GLY 138 Ca -0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 47.33 46.96 3io8 h GLY 138 CO 0.05 0.15 -0.93 3.21 0.00 0.00 0.00 176.54 179.01 3io8 h ARG 139 N 0.04 0.18 -0.75 4.80 3.08 -1.94 -0.01 114.38 119.78 3io8 h ARG 139 Ca -0.02 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 3io8 h ARG 139 Cb 1.49 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.57 3io8 h ARG 139 CO 0.12 0.98 0.24 0.82 -1.07 0.00 0.00 179.97 181.07 3io8 h ILE 140 N 0.09 1.26 -0.43 2.04 2.04 -1.50 0.95 117.51 121.96 3io8 h ILE 140 Ca -0.05 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 64.82 3io8 h ILE 140 Cb 1.58 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3io8 h ILE 140 CO 0.14 0.36 -0.10 0.58 0.00 0.00 0.00 178.15 179.13 3io8 h VAL 141 N 1.12 1.27 -0.57 1.67 2.07 -1.43 -1.48 116.25 118.90 3io8 h VAL 141 Ca 0.24 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.58 3io8 h VAL 141 Cb 0.30 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3io8 h VAL 141 CO -0.01 0.41 0.38 0.00 0.02 0.00 0.00 177.57 178.37 3io8 h ALA 142 N 0.86 1.61 0.32 1.67 0.00 -0.48 -1.29 119.26 121.96 3io8 h ALA 142 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3io8 h ALA 142 Cb 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3io8 h ALA 142 CO 0.04 0.35 -0.15 0.35 0.00 0.00 0.00 179.25 179.84 3io8 h PHE 143 N 0.76 -0.40 0.29 0.00 3.57 0.12 -2.94 116.94 118.34 3io8 h PHE 143 Ca 0.21 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3io8 h PHE 143 Cb -0.06 0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3io8 h PHE 143 CO -0.00 -0.16 -0.14 0.74 -2.23 0.00 0.00 178.31 176.52 3io8 h PHE 144 N -0.58 -0.36 -0.17 0.41 0.04 -0.91 -2.65 116.94 112.72 3io8 h PHE 144 Ca -0.04 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.77 3io8 h PHE 144 Cb 0.42 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3io8 h PHE 144 CO -0.02 -0.14 0.19 0.77 -0.60 0.00 0.00 178.31 178.51 3io8 h SER 145 N -0.52 0.00 -0.37 2.17 0.02 -1.36 -0.93 113.55 112.56 3io8 h SER 145 Ca -0.04 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 3io8 h SER 145 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3io8 h SER 145 CO 0.07 0.00 -0.25 0.15 -1.14 0.00 0.00 176.83 175.65 3io8 h PHE 146 N 0.00 0.97 -0.19 3.45 3.57 -1.28 -3.04 116.94 120.43 3io8 h PHE 146 Ca 0.08 -0.26 -0.08 0.00 3.53 0.00 0.00 57.97 61.24 3io8 h PHE 146 Cb 0.46 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3io8 h PHE 146 CO 0.00 1.04 -0.24 0.78 -2.23 0.00 0.00 178.31 177.66 3io8 h GLY 147 N 0.63 0.36 0.98 2.40 0.00 -1.05 -3.08 103.07 103.31 3io8 h GLY 147 Ca 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3io8 h GLY 147 CO 0.07 0.26 0.27 -1.33 0.00 0.00 0.00 176.54 175.81 3io8 h GLY 148 N 0.98 0.75 0.96 4.60 0.00 -1.38 -2.14 103.07 106.85 3io8 h GLY 148 Ca 0.05 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 3io8 h GLY 148 CO 0.04 0.33 -0.21 0.00 0.00 0.00 0.00 176.54 176.70 3io8 h ALA 149 N 1.11 0.46 -0.69 3.60 0.00 -1.56 -0.27 119.26 121.89 3io8 h ALA 149 Ca 0.18 -0.37 0.14 0.00 0.00 0.00 0.00 54.91 54.86 3io8 h ALA 149 Cb 0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 3io8 h ALA 149 CO -0.03 0.41 0.17 -0.07 0.00 0.00 0.00 179.25 179.74 3io8 h LEU 150 N 0.47 0.03 -0.70 0.00 3.38 -1.44 1.09 115.31 118.14 3io8 h LEU 150 Ca 0.06 0.13 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3io8 h LEU 150 Cb 0.77 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3io8 h LEU 150 CO 0.06 -0.01 -0.35 0.00 0.09 0.00 0.00 178.44 178.23 3io8 h VAL 152 N 0.51 1.42 0.00 0.00 2.07 0.43 -2.89 116.25 117.79 3io8 h VAL 152 Ca 0.05 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 3io8 h VAL 152 Cb 0.85 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3io8 h VAL 152 CO 0.07 0.33 -0.01 -0.33 0.02 0.00 0.00 177.57 177.64 3io8 h GLU 153 N -0.55 0.00 0.01 1.57 5.08 0.12 -2.83 114.58 117.98 3io8 h GLU 153 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3io8 h GLU 153 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3io8 h GLU 153 CO 0.00 0.01 -0.15 0.77 -1.00 0.00 0.00 179.01 178.65 3io8 h SER 154 N 0.00 0.11 0.33 1.42 0.02 -0.87 -3.14 113.55 111.42 3io8 h SER 154 Ca -0.00 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 3io8 h SER 154 Cb 0.36 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3io8 h SER 154 CO 0.00 0.95 0.00 0.52 -1.14 0.00 0.00 176.83 177.16 3io8 n VAL 155 N -4.57 1.34 0.96 2.27 0.31 -1.09 -0.71 118.33 116.84 3io8 n VAL 155 Ca -0.10 0.34 0.10 0.00 -0.01 0.00 0.00 64.34 64.68 3io8 n VAL 155 Cb 0.48 -1.19 0.52 0.00 -0.91 0.00 0.00 33.84 32.75 3io8 n VAL 155 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3io8 n ASP 156 N -1.53 0.00 -0.33 4.52 9.92 -1.08 -2.79 116.55 125.26 3io8 n ASP 156 Ca 0.02 0.08 0.05 0.00 -0.53 0.00 0.00 54.79 54.41 3io8 n ASP 156 Cb 0.11 -0.33 0.08 0.00 -0.64 0.00 0.00 41.12 40.35 3io8 n ASP 156 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3io8 n LYS 157 N -1.33 0.72 -0.52 -1.24 4.76 0.11 -4.95 118.16 115.72 3io8 n LYS 157 Ca 0.09 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.58 3io8 n LYS 157 Cb 0.19 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 3io8 n LYS 157 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3io8 n GLU 158 N -0.75 0.00 0.00 1.97 4.71 -1.12 -4.76 120.64 120.68 3io8 n GLU 158 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 3io8 n GLU 158 Cb 0.69 -4.29 0.00 0.00 -1.01 0.00 0.00 31.44 26.83 3io8 n GLU 158 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 3io8 n MET 159 N -2.00 0.34 -0.21 3.49 2.81 -0.84 -4.16 117.12 116.55 3io8 n MET 159 Ca 0.00 0.00 0.17 0.00 -1.81 0.00 0.00 57.70 56.06 3io8 n MET 159 Cb 0.00 -1.19 0.31 0.00 -0.71 0.00 0.00 33.22 31.63 3io8 n MET 159 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3io8 n GLN 160 N 0.40 -0.04 0.32 0.03 10.64 -1.25 0.12 117.38 127.59 3io8 n GLN 160 Ca 0.00 0.91 0.18 0.00 -1.83 0.00 0.00 57.00 56.26 3io8 n GLN 160 Cb 0.10 -1.57 0.95 0.00 -0.86 0.00 0.00 30.24 28.86 3io8 n GLN 160 CO 0.00 0.00 0.00 -0.39 -1.83 0.00 0.00 177.06 174.84 3io8 h VAL 161 N 0.00 0.06 0.00 -0.39 -1.51 -1.94 0.43 116.25 112.89 3io8 h VAL 161 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.96 3io8 h VAL 161 Cb 1.22 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3io8 h VAL 161 CO -0.53 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 175.74 3io8 h LEU 162 N 0.00 0.00 -0.10 4.19 3.38 0.56 -3.34 115.31 120.00 3io8 h LEU 162 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3io8 h LEU 162 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3io8 h LEU 162 CO -0.00 0.00 -0.08 0.58 0.09 0.00 0.00 178.44 179.03 3io8 h VAL 163 N 0.00 1.35 -0.92 1.22 2.07 -0.27 -1.89 116.25 117.80 3io8 h VAL 163 Ca 0.00 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.36 3io8 h VAL 163 Cb 0.75 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 3io8 h VAL 163 CO 0.00 0.34 0.60 0.77 0.02 0.00 0.00 177.57 179.30 3io8 h SER 164 N -0.16 1.01 -0.54 0.57 4.64 -1.71 -2.42 113.55 114.95 3io8 h SER 164 Ca 0.02 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 3io8 h SER 164 Cb 0.57 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3io8 h SER 164 CO 0.02 0.70 -0.13 0.03 -0.87 0.00 0.00 176.83 176.58 3io8 h ARG 165 N 1.18 1.03 -0.27 4.77 3.08 -1.70 -3.23 114.38 119.24 3io8 h ARG 165 Ca 0.36 -0.40 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3io8 h ARG 165 Cb -0.02 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 3io8 h ARG 165 CO -0.11 1.09 0.05 0.82 -1.07 0.00 0.00 179.97 180.74 3io8 h ILE 166 N 0.91 0.87 -0.95 2.04 2.04 -0.85 -2.14 117.51 119.42 3io8 h ILE 166 Ca 0.14 -0.05 0.19 0.00 1.00 0.00 0.00 64.86 66.13 3io8 h ILE 166 Cb 0.70 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 3io8 h ILE 166 CO 0.05 0.03 0.61 0.00 0.00 0.00 0.00 178.15 178.84 3io8 h ALA 167 N 1.20 1.90 0.00 1.87 0.00 -1.51 -1.77 119.26 120.95 3io8 h ALA 167 Ca 0.12 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 3io8 h ALA 167 Cb 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3io8 h ALA 167 CO -0.17 -0.22 -0.90 0.00 0.00 0.00 0.00 179.25 177.97 3io8 h ALA 168 N 1.62 0.54 -0.43 0.00 0.00 -1.42 -2.20 119.26 117.38 3io8 h ALA 168 Ca 0.51 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3io8 h ALA 168 Cb 0.96 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3io8 h ALA 168 CO -0.27 1.00 -0.08 -1.49 0.00 0.00 0.00 179.25 178.40 3io8 h TRP 169 N 0.00 0.81 -0.08 0.00 6.55 -0.87 -2.65 115.95 119.71 3io8 h TRP 169 Ca -0.05 -0.14 -0.07 0.00 0.95 0.00 0.00 58.89 59.58 3io8 h TRP 169 Cb 1.62 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 29.71 3io8 h TRP 169 CO 0.00 0.80 -0.24 0.52 -1.05 0.00 0.00 178.44 178.47 3io8 h MET 170 N 0.68 0.31 -0.71 0.49 2.86 -1.44 -1.89 114.93 115.22 3io8 h MET 170 Ca 0.12 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3io8 h MET 170 Cb 0.54 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 3io8 h MET 170 CO 0.03 0.84 0.40 0.00 1.06 0.00 0.00 176.91 179.24 3io8 h ALA 171 N 0.47 0.91 0.00 6.32 0.00 -1.38 0.75 119.26 126.34 3io8 h ALA 171 Ca -0.01 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 3io8 h ALA 171 Cb 0.85 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3io8 h ALA 171 CO 0.05 0.42 -0.90 1.15 0.00 0.00 0.00 179.25 179.97 3io8 h THR 172 N 0.98 1.58 -0.03 0.00 2.02 -1.57 -1.30 112.91 114.59 3io8 h THR 172 Ca 0.25 -3.14 -0.02 0.00 0.77 0.00 0.00 66.41 64.27 3io8 h THR 172 Cb 0.03 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 3io8 h THR 172 CO -0.04 0.88 -0.08 0.22 0.37 0.00 0.00 175.52 176.87 3io8 h TYR 173 N 0.00 0.14 0.00 3.16 5.03 -0.85 -0.79 116.97 123.66 3io8 h TYR 173 Ca -0.01 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 3io8 h TYR 173 Cb 1.65 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.90 3io8 h TYR 173 CO 0.00 0.67 -0.06 1.25 -1.32 0.00 0.00 178.16 178.70 3io8 h LEU 174 N -0.43 0.00 0.24 2.82 6.46 0.46 0.46 115.31 125.32 3io8 h LEU 174 Ca -0.00 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.44 3io8 h LEU 174 Cb 0.67 0.00 0.04 0.00 -0.73 0.00 0.00 40.66 40.63 3io8 h LEU 174 CO 0.02 0.06 -1.43 -1.13 -0.62 0.00 0.00 178.44 175.34 3io8 h ASN 175 N 0.00 0.81 0.64 1.25 -1.24 -1.16 1.31 115.58 117.19 3io8 h ASN 175 Ca -0.00 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.09 3io8 h ASN 175 Cb 0.15 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.94 3io8 h ASN 175 CO 0.01 1.69 -1.27 0.47 -1.29 0.00 0.00 177.43 177.04 3io8 n ASP 176 N -3.76 0.58 0.00 1.15 8.00 -0.31 -4.30 116.55 117.91 3io8 n ASP 176 Ca -0.17 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3io8 n ASP 176 Cb 1.08 0.91 0.00 0.00 -0.02 0.00 0.00 41.12 43.09 3io8 n ASP 176 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3io8 n HIS 177 N -2.44 0.00 0.06 1.24 8.25 0.16 -4.81 115.22 117.68 3io8 n HIS 177 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 3io8 n HIS 177 Cb 0.54 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.51 3io8 n HIS 177 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3io8 h LEU 178 N 0.00 0.29 -0.68 2.41 3.38 -1.42 -3.37 115.31 115.91 3io8 h LEU 178 Ca 0.00 -0.37 0.12 0.00 0.09 0.00 0.00 57.88 57.73 3io8 h LEU 178 Cb 0.42 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 3io8 h LEU 178 CO 0.00 1.30 0.24 -0.08 0.09 0.00 0.00 178.44 179.99 3io8 h GLU 179 N 0.05 0.38 0.32 1.13 4.57 0.15 -2.42 114.58 118.76 3io8 h GLU 179 Ca -0.18 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 3io8 h GLU 179 Cb 1.96 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 30.46 3io8 h GLU 179 CO 0.16 0.25 -0.25 -1.35 -1.18 0.00 0.00 179.01 176.64 3io8 h PRO 180 N 0.39 -0.53 -0.34 0.92 0.11 -1.82 -2.63 132.00 128.10 3io8 h PRO 180 Ca 0.36 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.54 3io8 h PRO 180 Cb 0.52 0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.70 3io8 h PRO 180 CO -0.38 -0.35 -0.28 2.35 -0.21 0.00 0.00 178.00 179.13 3io8 h TRP 181 N -0.55 -0.88 -1.22 0.65 7.01 -1.73 0.11 115.95 119.34 3io8 h TRP 181 Ca -0.04 0.05 0.43 0.00 2.11 0.00 0.00 58.89 61.44 3io8 h TRP 181 Cb 0.46 0.43 -0.13 0.00 -2.10 0.00 0.00 29.16 27.82 3io8 h TRP 181 CO -0.09 -0.21 0.78 -0.89 -2.79 0.00 0.00 178.44 175.24 3io8 n ILE 182 N -4.06 -0.23 0.11 2.65 5.41 -0.92 -1.37 119.36 120.95 3io8 n ILE 182 Ca -0.00 1.63 -0.22 0.00 1.00 0.00 0.00 62.75 65.15 3io8 n ILE 182 Cb 0.15 -2.67 -0.14 0.00 -0.71 0.00 0.00 39.64 36.27 3io8 n ILE 182 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3io8 h GLN 183 N 0.00 0.55 0.00 0.38 5.75 -0.39 -2.33 115.11 119.07 3io8 h GLN 183 Ca 0.79 -0.82 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 3io8 h GLN 183 Cb 2.52 0.28 -0.01 0.00 1.07 0.00 0.00 27.48 31.35 3io8 h GLN 183 CO -0.43 1.38 -0.26 0.93 -2.65 0.00 0.00 178.83 177.79 3io8 h GLU 184 N 0.21 0.00 -1.34 1.69 4.39 -1.06 -3.34 114.58 115.13 3io8 h GLU 184 Ca -0.20 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.14 3io8 h GLU 184 Cb 2.01 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 30.49 3io8 h GLU 184 CO 0.25 0.26 0.46 0.09 -1.16 0.00 0.00 179.01 178.91 3io8 n ASN 185 N -3.22 5.95 0.00 1.42 3.02 -0.87 -4.79 115.26 116.77 3io8 n ASN 185 Ca 0.02 -3.12 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 3io8 n ASN 185 Cb 0.57 -0.97 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 3io8 n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3io8 n GLY 186 N 0.02 2.70 0.00 7.41 0.00 -1.25 -4.87 105.19 109.20 3io8 n GLY 186 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3io8 n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3io8 n GLY 187 N -0.23 -1.32 0.10 -0.02 0.00 -0.88 -4.32 105.19 98.51 3io8 n GLY 187 Ca 0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 3io8 n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3io8 h TRP 188 N 0.00 0.36 -0.94 1.61 4.06 -1.93 -3.24 115.95 115.87 3io8 h TRP 188 Ca 0.00 -0.24 0.23 0.00 2.06 0.00 0.00 58.89 60.94 3io8 h TRP 188 Cb 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 28.01 3io8 h TRP 188 CO 0.00 1.15 0.49 -0.44 -3.56 0.00 0.00 178.44 176.08 3io8 h ASP 189 N 0.08 0.49 -0.60 -3.49 3.32 -1.97 0.66 116.42 114.92 3io8 h ASP 189 Ca -0.08 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3io8 h ASP 189 Cb 1.80 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 41.41 3io8 h ASP 189 CO 0.17 0.05 0.13 0.74 -1.72 0.00 0.00 179.24 178.61 3io8 h THR 190 N 0.48 1.25 0.13 0.35 2.02 -1.75 -2.85 112.91 112.55 3io8 h THR 190 Ca 0.60 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 3io8 h THR 190 Cb 1.14 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3io8 h THR 190 CO -0.50 0.35 -0.08 0.15 0.37 0.00 0.00 175.52 175.81 3io8 h PHE 191 N 0.88 -0.20 -0.91 3.16 3.57 -0.99 -2.73 116.94 119.72 3io8 h PHE 191 Ca 0.19 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.93 3io8 h PHE 191 Cb 0.38 0.07 -0.14 0.00 2.79 0.00 0.00 35.95 39.05 3io8 h PHE 191 CO 0.03 -0.12 0.36 0.28 -2.23 0.00 0.00 178.31 176.63 3io8 h VAL 192 N -0.20 0.37 -0.22 1.41 2.07 -1.03 0.16 116.25 118.81 3io8 h VAL 192 Ca -0.01 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3io8 h VAL 192 Cb 0.16 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3io8 h VAL 192 CO 0.01 0.06 -0.03 -0.33 0.02 0.00 0.00 177.57 177.30 3io8 h GLU 193 N 0.31 0.41 -0.52 1.57 5.08 -1.31 0.16 114.58 120.28 3io8 h GLU 193 Ca 0.59 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.73 3io8 h GLU 193 Cb 1.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3io8 h GLU 193 CO -0.60 0.63 0.03 -0.07 -1.00 0.00 0.00 179.01 178.00 3io8 h LEU 194 N 0.16 0.82 -3.00 1.33 3.38 -0.78 -3.35 115.31 113.87 3io8 h LEU 194 Ca 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3io8 h LEU 194 Cb 0.46 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3io8 h LEU 194 CO 0.02 0.87 0.00 -1.22 0.09 0.00 0.00 178.44 178.19 3io8 n TYR 195 N -4.22 0.03 -3.38 1.13 4.02 0.41 -4.98 117.16 110.17 3io8 n TYR 195 Ca 0.03 -0.73 -0.45 0.00 -0.01 0.00 0.00 57.90 56.75 3io8 n TYR 195 Cb 0.29 -0.10 -0.07 0.00 -0.02 0.00 0.00 39.34 39.45 3io8 n TYR 195 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3io8 s GLY 196 N -1.85 2.06 0.00 2.72 0.00 0.57 -4.64 107.32 106.18 3io8 s GLY 196 Ca 0.15 -2.34 0.00 0.00 0.00 0.00 0.00 44.72 42.54 3io8 s GLY 196 CO 0.02 1.12 0.00 0.70 0.00 0.00 0.00 173.10 174.94