#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3io8 s PRO -3 N 0.00 4.81 0.42 1.61 0.02 -1.26 -5.11 135.00 135.49 3io8 s PRO -3 Ca 0.00 1.45 -0.26 0.00 0.02 0.00 0.00 61.00 62.21 3io8 s PRO -3 Cb 0.00 -3.24 -0.10 0.00 0.02 0.00 0.00 34.50 31.18 3io8 s PRO -3 CO 0.00 0.51 1.28 1.28 -0.33 0.00 0.00 177.00 179.74 3io8 n LEU -2 N 1.43 4.07 0.00 -5.54 4.77 -1.26 -5.01 117.00 115.46 3io8 n LEU -2 Ca -0.02 1.12 -0.14 0.00 -0.03 0.00 0.00 56.01 56.94 3io8 n LEU -2 Cb 0.47 -1.51 0.07 0.00 -2.33 0.00 0.00 43.42 40.13 3io8 n LEU -2 CO 0.49 -0.60 0.34 0.61 -1.33 0.00 0.00 177.39 176.90 3io8 n GLY -1 N 0.79 0.74 3.77 -0.72 0.00 -1.26 -5.05 105.19 103.46 3io8 n GLY -1 Ca 0.06 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 3io8 n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3io8 s SER 0 N -3.45 6.05 0.21 1.61 1.04 -1.26 -4.92 113.70 112.97 3io8 s SER 0 Ca 0.40 2.88 0.00 0.00 0.48 0.00 0.00 55.95 59.71 3io8 s SER 0 Cb -0.02 -2.65 0.16 0.00 0.10 0.00 0.00 66.02 63.61 3io8 s SER 0 CO 0.27 -1.06 1.52 -0.03 0.98 0.00 0.00 173.24 174.92 3io8 h MET 1 N 2.51 0.40 -0.35 4.02 4.05 -1.99 -2.59 114.93 120.97 3io8 h MET 1 Ca -0.51 -0.27 -0.00 0.00 -0.28 0.00 0.00 59.70 58.64 3io8 h MET 1 Cb 1.26 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.08 3io8 h MET 1 CO 0.62 0.88 0.21 0.66 0.23 0.00 0.00 176.91 179.51 3io8 h SER 2 N 0.29 0.41 0.61 1.39 4.64 -1.97 0.38 113.55 119.31 3io8 h SER 2 Ca -0.01 -0.02 -0.28 0.00 -0.47 0.00 0.00 61.79 61.02 3io8 h SER 2 Cb 1.14 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3io8 h SER 2 CO 0.10 0.31 -1.37 -0.61 -0.87 0.00 0.00 176.83 174.40 3io8 h GLN 3 N 0.48 0.18 -0.76 4.77 5.75 -1.93 -0.23 115.11 123.37 3io8 h GLN 3 Ca 0.13 -0.31 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 3io8 h GLN 3 Cb -0.02 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3io8 h GLN 3 CO -0.02 1.06 0.32 0.66 -2.65 0.00 0.00 178.83 178.19 3io8 h SER 4 N 0.05 1.04 1.17 -0.69 4.64 -1.14 0.57 113.55 119.19 3io8 h SER 4 Ca -0.17 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3io8 h SER 4 Cb 1.96 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 3io8 h SER 4 CO 0.16 0.92 0.00 0.78 -0.87 0.00 0.00 176.83 177.82 3io8 h ASN 5 N 1.09 0.00 0.21 4.97 2.35 -0.90 -3.18 115.58 120.12 3io8 h ASN 5 Ca 0.26 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.66 3io8 h ASN 5 Cb 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3io8 h ASN 5 CO -0.02 0.00 -1.98 -1.14 -1.65 0.00 0.00 177.43 172.64 3io8 n ARG 6 N -2.90 0.71 0.02 0.81 0.63 -0.10 -3.69 116.66 112.15 3io8 n ARG 6 Ca 0.02 0.25 0.07 0.00 -0.92 0.00 0.00 57.85 57.26 3io8 n ARG 6 Cb 0.34 -1.71 0.48 0.00 0.45 0.00 0.00 32.46 32.02 3io8 n ARG 6 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3io8 h GLU 7 N 0.04 0.42 0.07 -0.14 4.81 0.10 -1.93 114.58 117.95 3io8 h GLU 7 Ca -0.41 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 58.54 3io8 h GLU 7 Cb 2.03 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 31.32 3io8 h GLU 7 CO 0.07 0.28 -1.11 1.25 -0.73 0.00 0.00 179.01 178.77 3io8 h LEU 8 N 0.43 0.61 -0.04 1.64 5.85 -1.71 -2.35 115.31 119.74 3io8 h LEU 8 Ca 0.16 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3io8 h LEU 8 Cb 0.09 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3io8 h LEU 8 CO -0.04 1.37 0.00 0.58 -0.34 0.00 0.00 178.44 180.02 3io8 h VAL 9 N 0.21 0.98 -0.79 1.05 2.07 -1.51 -2.39 116.25 115.87 3io8 h VAL 9 Ca -0.13 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3io8 h VAL 9 Cb 1.78 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 3io8 h VAL 9 CO 0.20 0.00 0.50 0.58 0.02 0.00 0.00 177.57 178.87 3io8 h VAL 10 N 0.02 1.21 -0.04 2.57 2.07 -1.41 -1.09 116.25 119.57 3io8 h VAL 10 Ca 0.02 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3io8 h VAL 10 Cb 0.02 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 3io8 h VAL 10 CO -0.02 0.21 -0.13 -0.78 0.02 0.00 0.00 177.57 176.86 3io8 h ASP 11 N 1.07 -0.39 -0.56 0.57 3.58 -1.27 -0.48 116.42 118.94 3io8 h ASP 11 Ca 0.29 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.76 3io8 h ASP 11 Cb -0.09 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 3io8 h ASP 11 CO -0.06 -0.18 0.18 0.15 -2.88 0.00 0.00 179.24 176.46 3io8 h PHE 12 N -0.20 0.90 -0.49 0.28 3.04 -1.24 -2.57 116.94 116.67 3io8 h PHE 12 Ca 0.06 -0.09 -0.10 0.00 3.98 0.00 0.00 57.97 61.82 3io8 h PHE 12 Cb 0.28 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 3io8 h PHE 12 CO -0.21 0.75 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.69 3io8 h LEU 13 N 0.78 0.91 -0.09 0.59 3.38 -1.03 -2.46 115.31 117.39 3io8 h LEU 13 Ca 0.18 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3io8 h LEU 13 Cb 0.27 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3io8 h LEU 13 CO -0.01 1.04 0.06 0.28 0.09 0.00 0.00 178.44 179.90 3io8 h SER 14 N 0.76 0.11 -0.51 -0.43 0.02 -1.06 -1.89 113.55 110.56 3io8 h SER 14 Ca 0.13 -0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.14 3io8 h SER 14 Cb 0.62 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.06 3io8 h SER 14 CO 0.04 0.10 0.08 0.22 -1.14 0.00 0.00 176.83 176.14 3io8 h TYR 15 N 0.10 0.13 0.00 3.45 3.20 -1.39 0.13 116.97 122.59 3io8 h TYR 15 Ca 0.03 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 3io8 h TYR 15 Cb 0.01 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3io8 h TYR 15 CO -0.06 -0.03 -0.27 0.87 -1.64 0.00 0.00 178.16 177.03 3io8 h LYS 16 N 0.21 0.00 0.16 1.82 1.79 -1.21 -2.46 116.57 116.88 3io8 h LYS 16 Ca 0.26 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.43 3io8 h LYS 16 Cb 0.36 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3io8 h LYS 16 CO -0.35 0.27 -1.29 -0.07 -1.08 0.00 0.00 179.45 176.93 3io8 h LEU 17 N 0.00 0.71 -0.43 2.94 3.38 -0.48 -3.25 115.31 118.18 3io8 h LEU 17 Ca -0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3io8 h LEU 17 Cb 0.54 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3io8 h LEU 17 CO 0.04 1.54 0.00 -1.54 0.09 0.00 0.00 178.44 178.56 3io8 n SER 18 N -3.69 0.32 -0.06 -0.43 3.41 0.35 0.16 113.62 113.68 3io8 n SER 18 Ca -0.13 0.59 -0.05 0.00 -0.26 0.00 0.00 58.87 59.03 3io8 n SER 18 Cb 1.02 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3io8 n SER 18 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3io8 h GLN 19 N 0.00 0.00 0.00 4.33 4.20 -1.52 -3.35 115.11 118.77 3io8 h GLN 19 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3io8 h GLN 19 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3io8 h GLN 19 CO 0.00 0.26 0.00 1.63 -0.67 0.00 0.00 178.83 180.05 3io8 n LYS 20 N -4.71 0.57 0.00 1.46 4.76 -1.16 -4.76 118.16 114.32 3io8 n LYS 20 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 3io8 n LYS 20 Cb 0.17 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 0.12 1.05 3.00 0.72 0.00 -1.12 -5.10 105.19 103.85 3io8 n GLY 21 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3io8 n GLY 21 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3io8 n TYR 22 N -1.88 -0.81 -3.58 1.61 4.01 0.41 -4.97 117.16 111.96 3io8 n TYR 22 Ca 0.00 -1.83 -0.12 0.00 -0.16 0.00 0.00 57.90 55.79 3io8 n TYR 22 Cb 0.00 -0.35 -0.04 0.00 -0.31 0.00 0.00 39.34 38.63 3io8 n TYR 22 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3io8 s SER 23 N -3.55 -0.37 -0.12 7.72 1.04 -1.26 -2.32 113.70 114.85 3io8 s SER 23 Ca 0.25 -0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.57 3io8 s SER 23 Cb -0.02 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 3io8 s SER 23 CO 0.16 -0.81 -0.04 -0.25 0.98 0.00 0.00 173.24 173.28 3io8 h TRP 24 N 2.49 0.00 -2.97 5.02 2.91 -1.91 -3.48 115.95 118.01 3io8 h TRP 24 Ca -0.33 0.00 -0.47 0.00 1.13 0.00 0.00 58.89 59.22 3io8 h TRP 24 Cb 1.25 0.00 -0.14 0.00 -0.51 0.00 0.00 29.16 29.76 3io8 h TRP 24 CO 0.33 0.06 -0.58 -1.54 -1.03 0.00 0.00 178.44 175.67 3io8 s SER 25 N -5.66 2.24 0.23 2.65 1.04 -1.26 -4.96 113.70 107.98 3io8 s SER 25 Ca -0.06 -1.46 -0.08 0.00 0.48 0.00 0.00 55.95 54.83 3io8 s SER 25 Cb 0.01 0.12 0.22 0.00 0.10 0.00 0.00 66.02 66.46 3io8 s SER 25 CO 0.11 -0.72 1.91 -0.61 0.98 0.00 0.00 173.24 174.91 3io8 h GLN 26 N 2.08 1.19 -0.49 4.02 4.15 -1.99 -0.40 115.11 123.66 3io8 h GLN 26 Ca -0.39 -0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.06 3io8 h GLN 26 Cb 1.25 -0.27 -0.10 0.00 0.21 0.00 0.00 27.48 28.58 3io8 h GLN 26 CO 0.65 0.79 -0.20 1.98 -1.93 0.00 0.00 178.83 180.11 3io8 h MET 83 N 1.22 -0.09 -0.50 1.69 4.05 -1.99 -0.62 114.93 118.70 3io8 h MET 83 Ca 0.33 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.78 3io8 h MET 83 Cb -0.14 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.65 3io8 h MET 83 CO -0.07 -0.06 0.29 0.00 0.23 0.00 0.00 176.91 177.30 3io8 h ALA 84 N 1.26 0.64 -0.89 0.39 0.00 -1.56 -0.27 119.26 118.83 3io8 h ALA 84 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3io8 h ALA 84 Cb 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3io8 h ALA 84 CO -0.55 -0.01 0.51 0.00 0.00 0.00 0.00 179.25 179.19 3io8 h ALA 85 N 1.23 1.22 -0.08 0.00 0.00 -0.51 -2.98 119.26 118.14 3io8 h ALA 85 Ca 0.20 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 3io8 h ALA 85 Cb 0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3io8 h ALA 85 CO -0.10 0.65 -0.77 0.28 0.00 0.00 0.00 179.25 179.31 3io8 h VAL 86 N 1.24 1.37 0.57 0.00 2.07 -0.61 -3.00 116.25 117.87 3io8 h VAL 86 Ca 0.32 -2.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 3io8 h VAL 86 Cb -0.01 2.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3io8 h VAL 86 CO -0.05 0.65 -0.27 0.11 0.02 0.00 0.00 177.57 178.03 3io8 h LYS 87 N 0.31 -0.73 -0.57 1.57 1.57 -0.91 -2.25 116.57 115.55 3io8 h LYS 87 Ca -0.04 0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 3io8 h LYS 87 Cb 1.36 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 3io8 h LYS 87 CO 0.14 -0.48 0.05 0.37 -0.57 0.00 0.00 179.45 178.96 3io8 h GLN 88 N -0.77 0.95 -0.15 3.15 5.75 -1.64 -2.84 115.11 119.56 3io8 h GLN 88 Ca -0.08 -0.26 -0.10 0.00 -0.15 0.00 0.00 58.65 58.06 3io8 h GLN 88 Cb 0.59 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 3io8 h GLN 88 CO 0.13 0.91 -0.37 0.00 -2.65 0.00 0.00 178.83 176.85 3io8 h ALA 89 N 1.16 1.10 0.00 3.38 0.00 -1.52 -2.20 119.26 121.19 3io8 h ALA 89 Ca 0.17 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3io8 h ALA 89 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3io8 h ALA 89 CO 0.02 0.58 -0.40 1.25 0.00 0.00 0.00 179.25 180.70 3io8 h LEU 90 N 0.27 0.00 0.53 0.00 5.85 -1.27 -0.10 115.31 120.59 3io8 h LEU 90 Ca 0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3io8 h LEU 90 Cb 0.77 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.81 3io8 h LEU 90 CO 0.06 0.40 -0.25 0.03 -0.34 0.00 0.00 178.44 178.33 3io8 h ARG 91 N 0.00 -0.68 -0.46 1.25 3.08 -1.19 -2.16 114.38 114.21 3io8 h ARG 91 Ca -0.00 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3io8 h ARG 91 Cb 0.92 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 3io8 h ARG 91 CO 0.05 -0.38 0.20 0.93 -1.07 0.00 0.00 179.97 179.71 3io8 h GLU 92 N -1.02 0.65 0.78 0.04 5.08 -1.38 -0.43 114.58 118.31 3io8 h GLU 92 Ca -0.07 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3io8 h GLU 92 Cb 0.62 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.75 3io8 h GLU 92 CO 0.12 0.52 -0.38 0.00 -1.00 0.00 0.00 179.01 178.28 3io8 h ALA 93 N 1.58 -1.05 0.00 3.43 0.00 -1.05 -2.63 119.26 119.54 3io8 h ALA 93 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3io8 h ALA 93 Cb 0.10 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3io8 h ALA 93 CO -0.02 -1.09 0.00 0.41 0.00 0.00 0.00 179.25 178.55 3io8 n GLY 94 N -1.53 -0.94 0.13 0.00 0.00 -0.81 -1.35 105.19 100.67 3io8 n GLY 94 Ca -0.15 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.87 3io8 n GLY 94 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3io8 h ASP 95 N 0.00 0.00 0.25 1.61 3.32 -0.95 -3.10 116.42 117.55 3io8 h ASP 95 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 3io8 h ASP 95 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3io8 h ASP 95 CO 0.00 0.06 -1.76 -0.08 -1.72 0.00 0.00 179.24 175.74 3io8 h GLU 96 N 0.00 0.32 -0.69 3.56 4.81 -0.84 -3.07 114.58 118.67 3io8 h GLU 96 Ca -0.01 -0.55 0.11 0.00 -0.13 0.00 0.00 59.36 58.78 3io8 h GLU 96 Cb 1.06 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 3io8 h GLU 96 CO 0.00 1.22 0.29 0.35 -0.73 0.00 0.00 179.01 180.14 3io8 h PHE 97 N 0.09 0.50 0.00 0.92 3.04 -1.37 -2.67 116.94 117.45 3io8 h PHE 97 Ca -0.34 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.56 3io8 h PHE 97 Cb 2.07 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 40.45 3io8 h PHE 97 CO 0.08 0.12 -0.38 1.49 -2.02 0.00 0.00 178.31 177.60 3io8 h GLU 98 N 0.47 0.00 0.02 1.11 4.81 -1.62 -2.37 114.58 116.99 3io8 h GLU 98 Ca 0.36 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3io8 h GLU 98 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3io8 h GLU 98 CO -0.33 0.38 -0.01 1.25 -0.73 0.00 0.00 179.01 179.57 3io8 h LEU 99 N 0.00 -0.02 0.00 1.64 5.85 -1.37 -3.30 115.31 118.11 3io8 h LEU 99 Ca -0.00 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.03 3io8 h LEU 99 Cb 1.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3io8 h LEU 99 CO 0.05 0.70 0.00 0.54 -0.34 0.00 0.00 178.44 179.39 3io8 n ARG 100 N -4.75 0.00 -1.96 1.25 1.74 -1.13 -4.19 116.66 107.61 3io8 n ARG 100 Ca -0.09 0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 57.08 3io8 n ARG 100 Cb 0.35 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3io8 n ARG 100 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3io8 n TYR 101 N -1.96 2.94 0.34 -1.55 4.01 -0.89 -4.77 117.16 115.28 3io8 n TYR 101 Ca 0.00 -2.89 -0.13 0.00 -0.16 0.00 0.00 57.90 54.72 3io8 n TYR 101 Cb 0.00 -2.16 -0.06 0.00 -0.31 0.00 0.00 39.34 36.80 3io8 n TYR 101 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3io8 h ARG 102 N 5.47 -0.83 -0.14 -0.72 9.65 -1.73 -3.21 114.38 122.87 3io8 h ARG 102 Ca 0.57 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.51 3io8 h ARG 102 Cb 0.52 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 3io8 h ARG 102 CO 1.69 -0.56 0.00 0.54 2.80 0.00 0.00 179.97 184.45 3io8 n ARG 103 N -4.61 0.51 0.14 0.20 5.12 -1.26 -3.00 116.66 113.76 3io8 n ARG 103 Ca -0.11 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.87 3io8 n ARG 103 Cb 0.34 -1.07 0.04 0.00 -1.16 0.00 0.00 32.46 30.62 3io8 n ARG 103 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3io8 h ALA 104 N 1.88 0.74 -1.06 7.54 0.00 -1.96 -3.31 119.26 123.08 3io8 h ALA 104 Ca 0.00 -0.35 -0.64 0.00 0.00 0.00 0.00 54.91 53.93 3io8 h ALA 104 Cb 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.50 3io8 h ALA 104 CO 0.00 0.44 -0.01 1.19 0.00 0.00 0.00 179.25 180.87 3io8 n PHE 105 N -3.09 3.09 -3.20 0.00 3.72 -1.16 -4.99 117.46 111.83 3io8 n PHE 105 Ca 0.01 -2.67 -0.40 0.00 -0.05 0.00 0.00 57.45 54.34 3io8 n PHE 105 Cb 0.68 -0.71 -0.07 0.00 -0.94 0.00 0.00 39.48 38.45 3io8 n PHE 105 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3io8 s SER 106 N -2.66 6.58 -0.54 4.37 0.01 -1.25 -4.49 113.70 115.73 3io8 s SER 106 Ca 0.54 0.71 -0.08 0.00 1.31 0.00 0.00 55.95 58.43 3io8 s SER 106 Cb 0.44 -2.31 0.01 0.00 0.21 0.00 0.00 66.02 64.37 3io8 s SER 106 CO -0.12 -0.24 0.35 0.47 0.41 0.00 0.00 173.24 174.11 3io8 n ASP 107 N 5.04 -2.50 0.08 2.44 8.00 -1.26 -4.79 116.55 123.56 3io8 n ASP 107 Ca -0.03 -0.62 0.05 0.00 0.71 0.00 0.00 54.79 54.90 3io8 n ASP 107 Cb 0.50 -0.88 0.49 0.00 -0.02 0.00 0.00 41.12 41.21 3io8 n ASP 107 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3io8 h LEU 108 N 0.14 0.33 0.45 0.64 3.38 -1.94 -1.84 115.31 116.48 3io8 h LEU 108 Ca -0.37 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3io8 h LEU 108 Cb 0.78 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3io8 h LEU 108 CO 0.24 0.24 -0.49 0.74 0.09 0.00 0.00 178.44 179.25 3io8 h THR 109 N 0.39 0.04 0.00 0.22 2.02 -1.94 0.20 112.91 113.84 3io8 h THR 109 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 3io8 h THR 109 Cb -0.03 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3io8 h THR 109 CO -0.02 0.00 0.00 0.77 0.37 0.00 0.00 175.52 176.64 3io8 h SER 110 N -0.96 0.00 -0.01 4.18 4.64 -1.92 0.45 113.55 119.93 3io8 h SER 110 Ca -0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 3io8 h SER 110 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3io8 h SER 110 CO -0.08 0.00 -0.15 -0.61 -0.87 0.00 0.00 176.83 175.12 3io8 h GLN 111 N 0.00 0.13 0.00 4.77 4.15 -1.09 -3.32 115.11 119.75 3io8 h GLN 111 Ca 0.00 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 3io8 h GLN 111 Cb 0.92 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 3io8 h GLN 111 CO 0.00 0.82 -0.81 -0.07 -1.93 0.00 0.00 178.83 176.85 3io8 h LEU 112 N -0.53 0.00 -2.03 -2.39 3.38 -0.66 -3.49 115.31 109.60 3io8 h LEU 112 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3io8 h LEU 112 Cb 0.86 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.63 3io8 h LEU 112 CO 0.03 0.20 -0.10 1.41 0.09 0.00 0.00 178.44 180.07 3io8 n HIS 113 N -2.89 -0.28 -2.72 1.13 8.25 0.13 -4.99 115.22 113.85 3io8 n HIS 113 Ca -0.01 0.12 -0.43 0.00 -0.26 0.00 0.00 57.72 57.14 3io8 n HIS 113 Cb 0.64 -2.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.31 3io8 n HIS 113 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3io8 s ILE 114 N -3.05 4.73 0.19 1.59 -4.36 0.36 -4.87 121.20 115.79 3io8 s ILE 114 Ca 0.00 1.91 0.07 0.00 -0.26 0.00 0.00 60.65 62.37 3io8 s ILE 114 Cb -0.00 -4.26 -0.05 0.00 1.25 0.00 0.00 42.46 39.40 3io8 s ILE 114 CO 0.09 -0.14 -0.13 0.42 0.24 0.00 0.00 174.94 175.43 3io8 s THR 115 N 3.00 1.55 0.55 8.37 -4.23 -1.26 -4.96 115.64 118.66 3io8 s THR 115 Ca 0.42 -2.16 0.31 0.00 -1.18 0.00 0.00 61.69 59.08 3io8 s THR 115 Cb -0.15 -1.98 0.47 0.00 1.34 0.00 0.00 72.50 72.17 3io8 s THR 115 CO 0.07 -0.64 1.88 -0.65 -0.54 0.00 0.00 174.62 174.73 3io8 h PRO 116 N 2.63 0.00 0.00 3.99 0.11 -1.98 0.41 132.00 137.15 3io8 h PRO 116 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3io8 h PRO 116 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3io8 h PRO 116 CO 0.62 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.82 3io8 n GLY 117 N -1.68 -1.17 0.00 -0.55 0.00 -1.26 -3.72 105.19 96.81 3io8 n GLY 117 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.68 0.20 0.07 2.61 -2.24 -1.07 -3.57 114.28 108.60 3io8 n THR 118 Ca 0.00 0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.72 3io8 n THR 118 Cb 0.00 -0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 67.21 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 2.38 -0.85 -0.27 6.98 0.00 -1.00 -2.37 119.26 124.13 3io8 h ALA 119 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3io8 h ALA 119 Cb 0.01 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3io8 h ALA 119 CO 0.00 -0.94 0.08 -0.92 0.00 0.00 0.00 179.25 177.47 3io8 h TYR 120 N -0.50 0.13 -0.51 0.00 3.20 -1.79 -0.75 116.97 116.76 3io8 h TYR 120 Ca -0.00 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.91 3io8 h TYR 120 Cb 0.51 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3io8 h TYR 120 CO -0.41 0.05 0.30 1.96 -1.64 0.00 0.00 178.16 178.42 3io8 h GLN 121 N 0.19 0.58 -0.38 1.82 4.20 -1.79 -1.65 115.11 118.08 3io8 h GLN 121 Ca 0.12 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.64 3io8 h GLN 121 Cb 0.11 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3io8 h GLN 121 CO -0.14 0.38 -0.40 0.77 -0.67 0.00 0.00 178.83 178.77 3io8 h SER 122 N 0.60 1.01 -0.86 1.46 0.02 -1.19 -2.56 113.55 112.02 3io8 h SER 122 Ca 0.21 -0.47 0.14 0.00 -0.84 0.00 0.00 61.79 60.82 3io8 h SER 122 Cb 0.03 -0.28 -0.09 0.00 0.14 0.00 0.00 62.40 62.20 3io8 h SER 122 CO -0.10 1.28 0.47 0.15 -1.14 0.00 0.00 176.83 177.49 3io8 h PHE 123 N 0.76 0.83 0.00 3.45 3.57 -0.82 -1.75 116.94 122.98 3io8 h PHE 123 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3io8 h PHE 123 Cb 1.00 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.50 3io8 h PHE 123 CO 0.06 0.24 0.00 0.39 -2.23 0.00 0.00 178.31 176.77 3io8 n GLU 124 N -4.82 0.00 -0.31 1.11 -0.58 -0.65 -2.20 120.64 113.19 3io8 n GLU 124 Ca 0.17 0.44 0.15 0.00 -0.42 0.00 0.00 57.16 57.49 3io8 n GLU 124 Cb 0.41 -1.33 0.33 0.00 -0.57 0.00 0.00 31.44 30.27 3io8 n GLU 124 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3io8 h GLN 125 N 0.00 0.36 -0.68 3.49 4.20 -1.35 0.29 115.11 121.41 3io8 h GLN 125 Ca 0.00 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.70 3io8 h GLN 125 Cb 0.00 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 3io8 h GLN 125 CO 0.00 0.24 0.45 0.28 -0.67 0.00 0.00 178.83 179.13 3io8 h VAL 126 N 0.37 1.17 0.07 -0.54 2.07 -1.35 -2.49 116.25 115.55 3io8 h VAL 126 Ca 0.58 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.68 3io8 h VAL 126 Cb 1.15 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3io8 h VAL 126 CO -0.55 0.17 -0.48 0.58 0.02 0.00 0.00 177.57 177.30 3io8 h VAL 127 N 0.92 1.60 0.00 2.57 2.07 -0.03 -2.97 116.25 120.42 3io8 h VAL 127 Ca 0.25 -2.38 -0.04 0.00 0.82 0.00 0.00 66.70 65.35 3io8 h VAL 127 Cb -0.10 3.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 3io8 h VAL 127 CO -0.06 0.66 -0.18 0.78 0.02 0.00 0.00 177.57 178.79 3io8 h ASN 128 N -0.57 0.00 -0.08 0.57 -0.26 -1.15 -2.88 115.58 111.21 3io8 h ASN 128 Ca -0.08 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.58 3io8 h ASN 128 Cb 1.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.61 3io8 h ASN 128 CO 0.09 0.18 -0.27 -0.08 -1.06 0.00 0.00 177.43 176.29 3io8 h GLU 129 N 0.00 0.32 -0.95 0.81 4.57 -1.51 -2.54 114.58 115.28 3io8 h GLU 129 Ca -0.00 -0.24 0.19 0.00 -1.18 0.00 0.00 59.36 58.13 3io8 h GLU 129 Cb 0.41 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.96 3io8 h GLU 129 CO 0.02 0.87 0.61 1.25 -1.18 0.00 0.00 179.01 180.58 3io8 h LEU 130 N -0.16 0.59 -4.07 1.64 5.85 -1.34 0.16 115.31 117.98 3io8 h LEU 130 Ca -0.01 0.06 -0.64 0.00 0.84 0.00 0.00 57.88 58.13 3io8 h LEU 130 Cb 0.90 -0.05 -0.35 0.00 0.37 0.00 0.00 40.66 41.54 3io8 h LEU 130 CO 0.06 0.23 0.20 0.49 -0.34 0.00 0.00 178.44 179.07 3io8 n PHE 131 N -4.61 3.06 0.10 1.25 3.72 -1.14 -4.61 117.46 115.22 3io8 n PHE 131 Ca 0.21 -2.69 -0.04 0.00 -0.05 0.00 0.00 57.45 54.88 3io8 n PHE 131 Cb 0.63 -0.94 0.01 0.00 -0.94 0.00 0.00 39.48 38.24 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 2.22 0.00 -0.25 -1.08 2.43 -0.51 -3.33 114.38 113.86 3io8 h ARG 132 Ca 0.50 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.48 3io8 h ARG 132 Cb 0.98 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.35 3io8 h ARG 132 CO 1.24 0.79 -0.66 -0.40 -1.51 0.00 0.00 179.97 179.43 3io8 n ASP 133 N -3.49 2.65 0.00 -3.80 5.68 -1.26 -5.09 116.55 111.24 3io8 n ASP 133 Ca -0.00 -3.65 0.00 0.00 -0.50 0.00 0.00 54.79 50.64 3io8 n ASP 133 Cb 0.79 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3io8 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3io8 n GLY 134 N -0.86 -0.70 3.36 6.12 0.00 -1.25 -5.09 105.19 106.77 3io8 n GLY 134 Ca 0.25 -2.25 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.64 1.46 -0.08 1.61 1.01 -1.26 -4.47 120.40 118.03 3io8 s VAL 135 Ca 0.00 -2.12 -0.32 0.00 0.00 0.00 0.00 61.98 59.55 3io8 s VAL 135 Cb 0.00 -2.23 0.12 0.00 0.00 0.00 0.00 36.38 34.27 3io8 s VAL 135 CO 0.00 -0.45 1.06 0.54 0.00 0.00 0.00 175.10 176.25 3io8 s ASN 136 N -3.34 -0.24 0.11 3.32 2.20 -1.26 -5.02 114.94 110.71 3io8 s ASN 136 Ca 0.26 -0.02 0.09 0.00 -0.94 0.00 0.00 52.86 52.25 3io8 s ASN 136 Cb 0.03 0.27 0.48 0.00 -2.00 0.00 0.00 41.25 40.02 3io8 s ASN 136 CO 0.08 -0.44 1.29 0.79 -2.94 0.00 0.00 177.10 175.88 3io8 n TRP 137 N -0.20 0.27 -0.02 1.54 7.02 -1.26 -1.15 117.44 123.64 3io8 n TRP 137 Ca -0.04 0.13 -0.20 0.00 -1.02 0.00 0.00 57.50 56.37 3io8 n TRP 137 Cb 0.60 -0.71 -0.13 0.00 -2.42 0.00 0.00 31.31 28.64 3io8 n TRP 137 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3io8 h GLY 138 N 0.43 0.18 1.27 6.99 0.00 -1.99 -3.14 103.07 106.81 3io8 h GLY 138 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 3io8 h GLY 138 CO 0.00 0.41 -0.26 3.21 0.00 0.00 0.00 176.54 179.90 3io8 h ARG 139 N -0.57 0.83 -0.70 4.80 3.08 -1.72 -1.55 114.38 118.55 3io8 h ARG 139 Ca -0.24 -0.36 0.10 0.00 0.07 0.00 0.00 59.98 59.55 3io8 h ARG 139 Cb 1.53 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.48 3io8 h ARG 139 CO 0.01 0.99 0.33 0.82 -1.07 0.00 0.00 179.97 181.05 3io8 h ILE 140 N 0.71 0.82 -0.46 2.04 2.04 -1.29 0.38 117.51 121.76 3io8 h ILE 140 Ca 0.09 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 3io8 h ILE 140 Cb 0.79 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3io8 h ILE 140 CO 0.07 0.10 -0.18 0.58 0.00 0.00 0.00 178.15 178.72 3io8 h VAL 141 N 0.56 1.27 -0.78 1.67 2.07 -1.45 -2.15 116.25 117.45 3io8 h VAL 141 Ca 0.35 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.60 3io8 h VAL 141 Cb 0.40 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 3io8 h VAL 141 CO -0.29 0.45 0.47 0.00 0.02 0.00 0.00 177.57 178.23 3io8 h ALA 142 N 0.86 1.05 -0.50 1.67 0.00 -0.52 -0.68 119.26 121.14 3io8 h ALA 142 Ca 0.11 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.11 3io8 h ALA 142 Cb 0.74 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 3io8 h ALA 142 CO 0.06 0.21 -0.15 0.35 0.00 0.00 0.00 179.25 179.71 3io8 h PHE 143 N 0.88 -0.34 -0.41 0.00 3.57 0.14 -0.27 116.94 120.50 3io8 h PHE 143 Ca 0.34 0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.76 3io8 h PHE 143 Cb 0.14 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3io8 h PHE 143 CO -0.05 -0.24 -0.23 0.74 -2.23 0.00 0.00 178.31 176.30 3io8 h PHE 144 N -0.03 0.94 0.00 0.41 0.04 -0.60 -3.00 116.94 114.70 3io8 h PHE 144 Ca 0.24 -0.22 -0.13 0.00 2.80 0.00 0.00 57.97 60.66 3io8 h PHE 144 Cb 0.40 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3io8 h PHE 144 CO -0.45 0.97 -0.61 0.77 -0.60 0.00 0.00 178.31 178.39 3io8 h SER 145 N 0.72 0.00 0.10 2.17 0.02 -0.73 -1.95 113.55 113.88 3io8 h SER 145 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3io8 h SER 145 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3io8 h SER 145 CO 0.06 0.61 -0.05 0.15 -1.14 0.00 0.00 176.83 176.47 3io8 h PHE 146 N 0.00 -0.13 -0.73 3.45 3.57 -1.01 0.19 116.94 122.27 3io8 h PHE 146 Ca -0.01 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 3io8 h PHE 146 Cb 1.33 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 40.07 3io8 h PHE 146 CO 0.00 0.22 0.46 0.78 -2.23 0.00 0.00 178.31 177.55 3io8 h GLY 147 N -0.50 1.06 0.87 2.40 0.00 -1.56 0.33 103.07 105.66 3io8 h GLY 147 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3io8 h GLY 147 CO 0.02 0.30 -0.22 -1.33 0.00 0.00 0.00 176.54 175.31 3io8 h GLY 148 N 0.91 -0.57 2.00 4.60 0.00 -1.32 0.29 103.07 108.98 3io8 h GLY 148 Ca 0.29 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.86 3io8 h GLY 148 CO -0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 176.54 176.13 3io8 h ALA 149 N 0.08 1.53 0.06 3.60 0.00 -0.31 -0.80 119.26 123.42 3io8 h ALA 149 Ca -0.03 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 3io8 h ALA 149 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3io8 h ALA 149 CO 0.02 0.09 -1.08 1.25 0.00 0.00 0.00 179.25 179.53 3io8 h LEU 150 N 0.00 0.50 0.16 0.00 5.85 0.04 -2.30 115.31 119.56 3io8 h LEU 150 Ca -0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3io8 h LEU 150 Cb 0.17 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3io8 h LEU 150 CO 0.01 1.29 -0.08 0.00 -0.34 0.00 0.00 178.44 179.32 3io8 h VAL 152 N -0.34 1.25 -0.42 0.00 2.07 -1.42 -1.91 116.25 115.49 3io8 h VAL 152 Ca -0.02 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.65 3io8 h VAL 152 Cb 0.26 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 3io8 h VAL 152 CO 0.04 0.31 -0.04 -0.08 0.02 0.00 0.00 177.57 177.82 3io8 h GLU 153 N 0.42 0.06 0.25 1.57 4.81 -1.39 -2.29 114.58 118.02 3io8 h GLU 153 Ca 0.10 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3io8 h GLU 153 Cb 0.42 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3io8 h GLU 153 CO 0.01 0.04 -0.49 0.77 -0.73 0.00 0.00 179.01 178.61 3io8 h SER 154 N 0.07 -1.44 -0.02 1.04 0.02 -0.79 -2.75 113.55 109.68 3io8 h SER 154 Ca 0.20 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.31 3io8 h SER 154 Cb 0.30 0.51 -0.05 0.00 0.14 0.00 0.00 62.40 63.30 3io8 h SER 154 CO -0.38 -0.57 -0.52 0.58 -1.14 0.00 0.00 176.83 174.81 3io8 h VAL 155 N -0.80 0.00 -1.07 2.27 2.07 -0.94 0.56 116.25 118.34 3io8 h VAL 155 Ca -0.03 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.81 3io8 h VAL 155 Cb 0.76 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.40 3io8 h VAL 155 CO -0.19 0.00 0.65 0.44 0.02 0.00 0.00 177.57 178.49 3io8 h ASP 156 N -0.64 0.48 -0.48 0.57 3.32 -1.45 -1.35 116.42 116.86 3io8 h ASP 156 Ca 0.01 0.14 -0.32 0.00 0.02 0.00 0.00 57.03 56.88 3io8 h ASP 156 Cb 0.69 0.08 -0.14 0.00 0.22 0.00 0.00 39.33 40.19 3io8 h ASP 156 CO -0.36 -0.04 0.41 0.29 -1.72 0.00 0.00 179.24 177.82 3io8 n LYS 157 N -4.85 1.81 0.00 3.56 5.02 0.17 -4.83 118.16 119.05 3io8 n LYS 157 Ca 0.30 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 3io8 n LYS 157 Cb 0.99 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 3io8 n LYS 157 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3io8 n GLU 158 N 0.38 0.00 -1.19 1.97 -0.58 -0.51 -4.76 120.64 115.94 3io8 n GLU 158 Ca 0.30 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.74 3io8 n GLU 158 Cb 0.58 -2.77 -0.07 0.00 -0.57 0.00 0.00 31.44 28.60 3io8 n GLU 158 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3io8 n MET 159 N -1.10 3.11 0.25 3.49 2.81 -1.12 -4.53 117.12 120.03 3io8 n MET 159 Ca 0.00 -1.79 0.17 0.00 -1.81 0.00 0.00 57.70 54.27 3io8 n MET 159 Cb 0.00 -2.53 0.89 0.00 -0.71 0.00 0.00 33.22 30.87 3io8 n MET 159 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3io8 h GLN 160 N 4.39 0.00 -0.81 0.03 5.75 -1.76 -3.04 115.11 119.68 3io8 h GLN 160 Ca 0.65 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 59.27 3io8 h GLN 160 Cb 0.67 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.09 3io8 h GLN 160 CO 1.28 0.00 -0.40 0.28 -2.65 0.00 0.00 178.83 177.34 3io8 h VAL 161 N 0.00 0.06 0.00 2.39 2.07 -1.93 -2.98 116.25 115.86 3io8 h VAL 161 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3io8 h VAL 161 Cb 0.31 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3io8 h VAL 161 CO -0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 3io8 n LEU 162 N -5.43 0.00 0.30 2.57 4.77 -1.15 -4.00 117.00 114.06 3io8 n LEU 162 Ca 0.06 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 3io8 n LEU 162 Cb 0.37 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3io8 n LEU 162 CO -0.08 -0.12 0.40 0.58 -1.33 0.00 0.00 177.39 176.84 3io8 h VAL 163 N 0.00 0.00 0.00 4.08 2.07 -1.77 0.61 116.25 121.24 3io8 h VAL 163 Ca 0.00 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3io8 h VAL 163 Cb 0.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3io8 h VAL 163 CO 0.00 0.00 -0.01 0.77 0.02 0.00 0.00 177.57 178.35 3io8 h SER 164 N -0.98 0.00 0.24 0.57 4.64 -1.84 -1.53 113.55 114.64 3io8 h SER 164 Ca -0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3io8 h SER 164 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3io8 h SER 164 CO 0.13 0.01 -0.11 0.03 -0.87 0.00 0.00 176.83 176.02 3io8 h ARG 165 N 0.00 -0.31 -0.72 4.77 3.08 -1.71 -3.03 114.38 116.47 3io8 h ARG 165 Ca -0.00 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.12 3io8 h ARG 165 Cb 0.05 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3io8 h ARG 165 CO 0.00 0.06 0.43 0.82 -1.07 0.00 0.00 179.97 180.21 3io8 h ILE 166 N -0.85 1.04 -0.99 2.04 2.04 -0.34 0.34 117.51 120.78 3io8 h ILE 166 Ca -0.03 -0.28 0.23 0.00 1.00 0.00 0.00 64.86 65.78 3io8 h ILE 166 Cb 0.51 0.15 -0.12 0.00 -0.74 0.00 0.00 36.82 36.62 3io8 h ILE 166 CO 0.05 0.15 0.58 0.00 0.00 0.00 0.00 178.15 178.93 3io8 h ALA 167 N 1.34 1.73 -0.11 1.87 0.00 -1.36 -1.74 119.26 120.99 3io8 h ALA 167 Ca 0.30 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 3io8 h ALA 167 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3io8 h ALA 167 CO -0.15 -0.22 -0.08 0.00 0.00 0.00 0.00 179.25 178.80 3io8 h ALA 168 N 1.71 0.15 -0.96 0.00 0.00 -0.81 -2.09 119.26 117.25 3io8 h ALA 168 Ca 0.62 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3io8 h ALA 168 Cb 1.13 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 3io8 h ALA 168 CO -0.46 -0.04 0.61 -1.49 0.00 0.00 0.00 179.25 177.88 3io8 h TRP 169 N -0.14 1.24 -0.24 0.00 6.55 -0.78 -0.31 115.95 122.27 3io8 h TRP 169 Ca 0.02 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 3io8 h TRP 169 Cb 0.56 -0.41 -0.01 0.00 -0.86 0.00 0.00 29.16 28.44 3io8 h TRP 169 CO 0.08 0.80 0.06 0.52 -1.05 0.00 0.00 178.44 178.84 3io8 h MET 170 N 1.32 0.39 -0.01 0.49 2.86 -1.37 -2.21 114.93 116.40 3io8 h MET 170 Ca 0.35 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3io8 h MET 170 Cb -0.11 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.50 3io8 h MET 170 CO -0.07 0.50 0.00 0.00 1.06 0.00 0.00 176.91 178.40 3io8 h ALA 171 N 0.87 0.01 -0.08 6.32 0.00 -0.89 -2.25 119.26 123.25 3io8 h ALA 171 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3io8 h ALA 171 Cb 0.29 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3io8 h ALA 171 CO 0.00 -0.47 0.05 1.15 0.00 0.00 0.00 179.25 179.98 3io8 h THR 172 N -0.03 1.02 -0.97 0.00 2.02 -1.11 -2.65 112.91 111.18 3io8 h THR 172 Ca 0.00 -0.04 0.15 0.00 0.77 0.00 0.00 66.41 67.29 3io8 h THR 172 Cb 0.04 0.90 -0.09 0.00 -1.74 0.00 0.00 68.15 67.26 3io8 h THR 172 CO -0.00 0.02 0.59 0.22 0.37 0.00 0.00 175.52 176.72 3io8 h TYR 173 N 0.11 1.05 0.42 3.16 5.03 -1.30 -2.00 116.97 123.44 3io8 h TYR 173 Ca 0.03 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 3io8 h TYR 173 Cb -0.01 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 37.93 3io8 h TYR 173 CO -0.07 0.33 -0.40 -0.07 -1.32 0.00 0.00 178.16 176.63 3io8 h LEU 174 N 0.85 -1.08 -2.00 2.82 3.38 -1.04 -0.26 115.31 117.98 3io8 h LEU 174 Ca 0.52 0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.87 3io8 h LEU 174 Cb 0.65 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 3io8 h LEU 174 CO -0.32 -0.53 0.76 0.78 0.09 0.00 0.00 178.44 179.21 3io8 h ASN 175 N -0.81 0.00 0.03 -0.43 2.35 -1.40 0.46 115.58 115.78 3io8 h ASN 175 Ca -0.05 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3io8 h ASN 175 Cb 0.70 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 3io8 h ASN 175 CO -0.04 0.00 -0.41 0.44 -1.65 0.00 0.00 177.43 175.78 3io8 h ASP 176 N 0.00 0.10 0.00 5.81 5.19 -0.40 -3.41 116.42 123.71 3io8 h ASP 176 Ca 0.50 -0.91 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 3io8 h ASP 176 Cb 2.00 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.48 3io8 h ASP 176 CO -0.01 1.17 -0.72 1.41 -3.12 0.00 0.00 179.24 177.98 3io8 n HIS 177 N -4.46 0.00 -0.02 4.55 8.25 -0.26 -4.85 115.22 118.43 3io8 n HIS 177 Ca -0.15 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.17 3io8 n HIS 177 Cb 0.59 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.56 3io8 n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3io8 n LEU 178 N -1.75 1.65 -0.27 2.41 4.32 -1.05 -3.98 117.00 118.33 3io8 n LEU 178 Ca 0.00 0.29 0.06 0.00 -0.02 0.00 0.00 56.01 56.34 3io8 n LEU 178 Cb 0.36 -0.40 0.18 0.00 -1.62 0.00 0.00 43.42 41.94 3io8 n LEU 178 CO 0.00 0.61 0.84 -0.08 -1.22 0.00 0.00 177.39 177.54 3io8 h GLU 179 N 0.03 0.11 -0.26 3.23 4.57 -0.32 -0.74 114.58 121.20 3io8 h GLU 179 Ca -0.37 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.84 3io8 h GLU 179 Cb 2.03 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.56 3io8 h GLU 179 CO 0.07 0.07 0.05 -1.35 -1.18 0.00 0.00 179.01 176.68 3io8 h PRO 180 N 0.11 0.15 -0.52 0.92 0.11 -1.82 -2.49 132.00 128.46 3io8 h PRO 180 Ca 0.44 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.50 3io8 h PRO 180 Cb 0.79 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 3io8 h PRO 180 CO -0.68 0.10 0.16 2.35 -0.21 0.00 0.00 178.00 179.72 3io8 h TRP 181 N 0.15 0.85 0.02 0.65 7.01 -1.32 -1.18 115.95 122.13 3io8 h TRP 181 Ca 0.12 -0.09 0.02 0.00 2.11 0.00 0.00 58.89 61.05 3io8 h TRP 181 Cb 0.12 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 3io8 h TRP 181 CO -0.16 0.73 -0.10 0.82 -2.79 0.00 0.00 178.44 176.94 3io8 h ILE 182 N 0.72 0.75 0.00 2.65 5.03 -1.16 0.72 117.51 126.21 3io8 h ILE 182 Ca 0.17 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.87 3io8 h ILE 182 Cb 0.29 0.75 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 3io8 h ILE 182 CO -0.00 0.00 -0.19 1.56 -0.68 0.00 0.00 178.15 178.84 3io8 h GLN 183 N -0.18 0.00 -0.00 2.37 1.08 -1.28 0.73 115.11 117.82 3io8 h GLN 183 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3io8 h GLN 183 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3io8 h GLN 183 CO -0.09 0.19 -0.37 0.39 -0.95 0.00 0.00 178.83 178.00 3io8 n GLU 184 N -4.04 0.02 -2.39 1.46 1.02 -0.46 -4.26 120.64 111.99 3io8 n GLU 184 Ca -0.02 -0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.92 3io8 n GLU 184 Cb 0.27 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.21 3io8 n GLU 184 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3io8 n ASN 185 N -1.48 3.83 0.00 1.62 4.13 0.21 -4.93 115.26 118.63 3io8 n ASN 185 Ca 0.06 -3.32 0.00 0.00 1.68 0.00 0.00 54.58 53.00 3io8 n ASN 185 Cb 0.34 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 3io8 n ASN 185 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3io8 n GLY 186 N -0.52 3.04 6.47 7.41 0.00 -1.12 -4.87 105.19 115.58 3io8 n GLY 186 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.59 -2.05 0.19 -0.02 0.00 0.24 -3.64 105.19 98.33 3io8 n GLY 187 Ca 0.00 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.01 0.00 -0.29 1.61 4.06 -1.94 -2.98 115.95 116.41 3io8 h TRP 188 Ca 0.00 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.02 3io8 h TRP 188 Cb 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.09 3io8 h TRP 188 CO 0.00 0.00 -0.26 0.22 -3.56 0.00 0.00 178.44 174.84 3io8 h ASP 189 N 0.00 -0.85 0.64 -3.49 3.58 -1.96 -3.11 116.42 111.23 3io8 h ASP 189 Ca 0.00 0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 3io8 h ASP 189 Cb 0.39 0.40 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 3io8 h ASP 189 CO 0.00 -0.29 -0.36 0.74 -2.88 0.00 0.00 179.24 176.45 3io8 h THR 190 N -0.25 0.27 -0.90 2.25 2.02 -1.59 -3.08 112.91 111.64 3io8 h THR 190 Ca 0.15 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.55 3io8 h THR 190 Cb 0.48 0.27 -0.16 0.00 -1.74 0.00 0.00 68.15 67.00 3io8 h THR 190 CO -0.43 0.00 0.00 0.15 0.37 0.00 0.00 175.52 175.61 3io8 h PHE 191 N -0.93 -0.08 -0.97 3.16 3.57 -1.67 0.33 116.94 120.35 3io8 h PHE 191 Ca -0.08 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.58 3io8 h PHE 191 Cb 0.74 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 3io8 h PHE 191 CO -0.07 -0.35 0.62 0.28 -2.23 0.00 0.00 178.31 176.56 3io8 h VAL 192 N 0.06 0.98 -0.02 1.41 2.07 -1.47 -1.05 116.25 118.22 3io8 h VAL 192 Ca 0.51 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.70 3io8 h VAL 192 Cb 0.98 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3io8 h VAL 192 CO -0.82 0.18 -0.06 -0.33 0.02 0.00 0.00 177.57 176.57 3io8 h GLU 193 N 1.01 -0.08 0.30 1.57 5.08 -0.37 -2.76 114.58 119.33 3io8 h GLU 193 Ca 0.45 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 3io8 h GLU 193 Cb 0.38 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3io8 h GLU 193 CO -0.21 -0.06 -0.15 -0.07 -1.00 0.00 0.00 179.01 177.53 3io8 h LEU 194 N -0.09 -0.34 -2.12 1.33 3.38 -0.94 -3.38 115.31 113.15 3io8 h LEU 194 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3io8 h LEU 194 Cb 0.13 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3io8 h LEU 194 CO -0.08 0.11 0.00 -1.22 0.09 0.00 0.00 178.44 177.35 3io8 n TYR 195 N -5.05 0.31 -1.82 1.13 4.02 -0.49 -4.87 117.16 110.40 3io8 n TYR 195 Ca -0.05 -0.15 -0.27 0.00 -0.01 0.00 0.00 57.90 57.41 3io8 n TYR 195 Cb 0.18 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.68 3io8 n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3io8 n GLY 196 N 1.44 -1.51 3.47 2.72 0.00 -1.04 -4.38 105.19 105.89 3io8 n GLY 196 Ca 0.17 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3io8 n GLY 196 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02