#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1on2 s THR 3 N 0.00 2.78 0.24 4.28 -4.23 -1.26 -4.84 115.64 112.60 1on2 s THR 3 Ca 0.00 -0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.27 1on2 s THR 3 Cb 0.00 -3.16 0.21 0.00 1.34 0.00 0.00 72.50 70.88 1on2 s THR 3 CO 0.00 -0.17 1.86 -0.65 -0.54 0.00 0.00 174.62 175.12 1on2 h PRO 4 N -0.43 0.98 -0.75 3.99 0.11 -1.99 0.62 132.00 134.52 1on2 h PRO 4 Ca -0.45 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1on2 h PRO 4 Cb 1.29 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1on2 h PRO 4 CO 0.60 0.65 0.40 0.77 -0.21 0.00 0.00 178.00 180.21 1on2 h SER 5 N 1.01 0.95 -0.53 -2.05 0.02 -1.97 0.30 113.55 111.28 1on2 h SER 5 Ca 0.35 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1on2 h SER 5 Cb 0.09 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1on2 h SER 5 CO -0.14 0.78 0.09 0.24 -1.14 0.00 0.00 176.83 176.66 1on2 h MET 6 N 1.04 0.87 -0.48 3.45 2.86 -1.72 -2.53 114.93 118.42 1on2 h MET 6 Ca 0.26 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1on2 h MET 6 Cb 0.05 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1on2 h MET 6 CO -0.04 0.85 0.02 0.93 1.06 0.00 0.00 176.91 179.73 1on2 h GLU 7 N 0.76 0.78 -0.87 1.72 5.08 -0.45 -0.78 114.58 120.81 1on2 h GLU 7 Ca 0.16 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1on2 h GLU 7 Cb 0.39 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1on2 h GLU 7 CO 0.01 0.77 0.57 1.98 -1.00 0.00 0.00 179.01 181.35 1on2 h MET 8 N 0.73 1.11 -0.01 2.33 4.05 -0.64 -0.23 114.93 122.27 1on2 h MET 8 Ca 0.15 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1on2 h MET 8 Cb 0.42 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1on2 h MET 8 CO 0.02 0.74 -0.04 1.88 0.23 0.00 0.00 176.91 179.73 1on2 h TYR 9 N 1.14 0.07 -0.91 1.39 -1.99 -1.04 -2.85 116.97 112.79 1on2 h TYR 9 Ca 0.33 -0.03 0.03 0.00 2.00 0.00 0.00 58.73 61.07 1on2 h TYR 9 Cb -0.07 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 38.59 1on2 h TYR 9 CO -0.01 0.65 0.59 0.82 -0.00 0.00 0.00 178.16 180.21 1on2 h ILE 10 N -0.54 1.15 0.09 -2.88 2.04 -1.05 0.16 117.51 116.49 1on2 h ILE 10 Ca -0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1on2 h ILE 10 Cb 0.65 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1on2 h ILE 10 CO 0.01 0.21 -0.08 -0.08 0.00 0.00 0.00 178.15 178.21 1on2 h GLU 11 N 1.14 -0.17 -0.60 2.37 4.81 -1.10 0.75 114.58 121.78 1on2 h GLU 11 Ca 0.36 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.53 1on2 h GLU 11 Cb -0.00 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1on2 h GLU 11 CO -0.12 -0.12 0.10 0.37 -0.73 0.00 0.00 179.01 178.51 1on2 h GLN 12 N -0.18 0.97 -0.52 1.92 5.75 -1.21 -1.66 115.11 120.19 1on2 h GLN 12 Ca -0.00 -0.24 -0.09 0.00 -0.15 0.00 0.00 58.65 58.17 1on2 h GLN 12 Cb 0.16 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1on2 h GLN 12 CO -0.01 0.90 -0.02 0.82 -2.65 0.00 0.00 178.83 177.87 1on2 h ILE 13 N 0.92 1.27 -0.55 2.39 2.04 -0.47 -0.67 117.51 122.43 1on2 h ILE 13 Ca 0.19 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.94 1on2 h ILE 13 Cb 0.40 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1on2 h ILE 13 CO 0.01 0.40 0.34 0.22 0.00 0.00 0.00 178.15 179.12 1on2 h TYR 14 N 0.80 0.63 -0.32 1.37 3.20 -0.58 -1.00 116.97 121.08 1on2 h TYR 14 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1on2 h TYR 14 Cb 0.56 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1on2 h TYR 14 CO 0.04 0.37 0.09 0.52 -1.64 0.00 0.00 178.16 177.54 1on2 h MET 15 N 0.67 0.49 -0.44 1.82 2.86 -1.06 -1.49 114.93 117.78 1on2 h MET 15 Ca 0.22 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1on2 h MET 15 Cb 0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1on2 h MET 15 CO -0.09 0.54 0.27 -0.07 1.06 0.00 0.00 176.91 178.62 1on2 h LEU 16 N 0.35 0.45 -0.65 1.22 4.07 -0.82 -1.16 115.31 118.77 1on2 h LEU 16 Ca 0.10 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 1on2 h LEU 16 Cb 0.26 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 1on2 h LEU 16 CO -0.00 0.32 0.35 0.40 -1.08 0.00 0.00 178.44 178.43 1on2 h ILE 17 N 0.55 1.21 -0.49 1.22 2.04 -1.03 0.35 117.51 121.35 1on2 h ILE 17 Ca 0.17 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1on2 h ILE 17 Cb -0.01 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1on2 h ILE 17 CO -0.07 0.23 0.12 -0.33 0.00 0.00 0.00 178.15 178.11 1on2 h GLU 18 N 0.90 0.75 0.00 2.37 4.39 -0.85 0.14 114.58 122.27 1on2 h GLU 18 Ca 0.23 -0.14 -0.17 0.00 0.34 0.00 0.00 59.36 59.62 1on2 h GLU 18 Cb 0.06 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1on2 h GLU 18 CO -0.03 0.67 -1.67 -0.85 -1.16 0.00 0.00 179.01 175.97 1on2 n GLU 19 N -4.29 0.64 -0.00 2.33 0.28 -0.47 -4.61 120.64 114.51 1on2 n GLU 19 Ca 0.03 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1on2 n GLU 19 Cb 0.21 -1.71 -0.01 0.00 1.43 0.00 0.00 31.44 31.36 1on2 n GLU 19 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1on2 n LYS 20 N -2.75 1.20 -0.33 3.44 5.02 0.12 -5.01 118.16 119.85 1on2 n LYS 20 Ca -0.13 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1on2 n LYS 20 Cb 0.84 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 1on2 n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1on2 n GLY 21 N 2.56 0.70 3.47 0.72 0.00 0.48 -5.01 105.19 108.11 1on2 n GLY 21 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1on2 n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1on2 s TYR 22 N -2.51 -0.52 -0.55 1.61 -0.85 -1.26 -4.91 117.35 108.36 1on2 s TYR 22 Ca 0.00 0.50 0.04 0.00 -0.52 0.00 0.00 57.07 57.09 1on2 s TYR 22 Cb 0.00 0.52 0.14 0.00 0.38 0.00 0.00 41.96 43.00 1on2 s TYR 22 CO 0.00 -0.71 0.32 0.00 -1.52 0.00 0.00 175.55 173.64 1on2 s ALA 23 N -2.90 3.18 0.35 9.51 0.00 -1.26 -3.90 121.76 126.74 1on2 s ALA 23 Ca -0.01 -3.27 -0.26 0.00 0.00 0.00 0.00 51.96 48.42 1on2 s ALA 23 Cb -0.01 -2.10 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 1on2 s ALA 23 CO -0.06 -2.05 1.03 1.03 0.00 0.00 0.00 175.76 175.71 1on2 s ARG 24 N -0.46 4.38 0.25 0.00 0.52 -1.26 -4.76 118.95 117.62 1on2 s ARG 24 Ca 0.19 1.51 -0.03 0.00 -0.52 0.00 0.00 55.73 56.89 1on2 s ARG 24 Cb -0.20 -2.75 0.47 0.00 0.52 0.00 0.00 34.95 33.00 1on2 s ARG 24 CO -0.05 0.05 1.75 0.28 0.02 0.00 0.00 175.30 177.35 1on2 h VAL 25 N 2.49 0.70 -0.91 3.52 2.07 -1.98 0.44 116.25 122.58 1on2 h VAL 25 Ca -0.47 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1on2 h VAL 25 Cb 1.21 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1on2 h VAL 25 CO 0.64 0.09 0.60 0.77 0.02 0.00 0.00 177.57 179.69 1on2 h SER 26 N 0.52 1.03 0.16 0.57 4.64 -1.96 0.18 113.55 118.69 1on2 h SER 26 Ca 0.42 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.56 1on2 h SER 26 Cb 0.61 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1on2 h SER 26 CO -0.37 0.74 -0.60 0.44 -0.87 0.00 0.00 176.83 176.16 1on2 h ASP 27 N 1.21 0.50 -0.21 4.97 3.45 -1.55 -2.37 116.42 122.42 1on2 h ASP 27 Ca 0.34 -0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.46 1on2 h ASP 27 Cb -0.12 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.50 1on2 h ASP 27 CO -0.08 0.98 -0.08 0.40 -1.57 0.00 0.00 179.24 178.89 1on2 h ILE 28 N 0.33 1.30 -0.53 0.35 2.04 -0.33 -2.32 117.51 118.35 1on2 h ILE 28 Ca -0.01 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 1on2 h ILE 28 Cb 1.14 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 1on2 h ILE 28 CO 0.11 0.34 0.32 0.00 0.00 0.00 0.00 178.15 178.92 1on2 h ALA 29 N 0.71 0.68 -0.62 1.87 0.00 -0.66 -1.97 119.26 119.27 1on2 h ALA 29 Ca 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1on2 h ALA 29 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1on2 h ALA 29 CO 0.03 0.16 0.04 1.49 0.00 0.00 0.00 179.25 180.97 1on2 h GLU 30 N 0.71 1.07 -0.04 0.00 4.22 -1.42 -1.22 114.58 117.90 1on2 h GLU 30 Ca 0.19 -0.32 -0.14 0.00 0.08 0.00 0.00 59.36 59.18 1on2 h GLU 30 Cb -0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1on2 h GLU 30 CO -0.04 1.02 -0.60 0.00 -2.18 0.00 0.00 179.01 177.21 1on2 h ALA 31 N 1.04 0.90 -0.01 2.92 0.00 -1.25 -3.22 119.26 119.65 1on2 h ALA 31 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1on2 h ALA 31 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1on2 h ALA 31 CO 0.02 0.74 -0.37 1.28 0.00 0.00 0.00 179.25 180.92 1on2 n LEU 32 N -3.85 1.59 -3.43 0.00 4.77 -0.76 -4.97 117.00 110.35 1on2 n LEU 32 Ca -0.02 -0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 55.25 1on2 n LEU 32 Cb 0.61 -0.05 0.09 0.00 -2.33 0.00 0.00 43.42 41.74 1on2 n LEU 32 CO 0.43 0.30 0.10 0.00 -1.33 0.00 0.00 177.39 176.89 1on2 n ALA 33 N -0.28 -2.03 -2.77 -1.18 0.00 -0.52 -5.02 120.51 108.70 1on2 n ALA 33 Ca 0.11 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1on2 n ALA 33 Cb 0.42 -2.51 -0.12 0.00 0.00 0.00 0.00 19.45 17.24 1on2 n ALA 33 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1on2 s VAL 34 N -3.37 0.74 0.36 0.00 1.01 -0.84 -5.07 120.40 113.23 1on2 s VAL 34 Ca 0.01 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 1on2 s VAL 34 Cb -0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 1on2 s VAL 34 CO 0.73 -0.20 1.13 -1.00 0.00 0.00 0.00 175.10 175.77 1on2 s HIS 35 N -1.05 3.24 0.56 5.22 3.76 -1.26 -4.43 115.29 121.32 1on2 s HIS 35 Ca -0.04 1.60 0.32 0.00 -0.15 0.00 0.00 55.06 56.79 1on2 s HIS 35 Cb -0.08 -3.33 1.48 0.00 1.11 0.00 0.00 32.58 31.75 1on2 s HIS 35 CO 0.01 -1.01 1.83 -1.00 -0.85 0.00 0.00 174.74 173.72 1on2 h PRO 36 N 2.97 0.00 -0.69 8.40 0.13 -1.91 0.73 132.00 141.62 1on2 h PRO 36 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1on2 h PRO 36 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1on2 h PRO 36 CO 0.64 0.00 0.32 1.03 -0.23 0.00 0.00 178.00 179.76 1on2 h SER 37 N 0.00 0.92 0.23 1.44 0.87 -1.98 -1.06 113.55 113.97 1on2 h SER 37 Ca 0.42 -0.14 -0.17 0.00 -1.23 0.00 0.00 61.79 60.67 1on2 h SER 37 Cb 1.84 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 1on2 h SER 37 CO -0.00 0.80 -0.66 0.28 -0.53 0.00 0.00 176.83 176.72 1on2 h SER 38 N 0.97 0.46 0.43 6.23 0.02 -1.23 -2.93 113.55 117.49 1on2 h SER 38 Ca 0.24 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1on2 h SER 38 Cb 0.14 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1on2 h SER 38 CO -0.03 0.99 -0.22 0.58 -1.14 0.00 0.00 176.83 177.01 1on2 h VAL 39 N 0.28 0.54 -0.85 2.27 2.07 -1.07 -1.77 116.25 117.73 1on2 h VAL 39 Ca -0.02 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.71 1on2 h VAL 39 Cb 1.21 0.54 -0.13 0.00 -1.52 0.00 0.00 31.29 31.40 1on2 h VAL 39 CO 0.11 0.00 0.29 0.74 0.02 0.00 0.00 177.57 178.74 1on2 h THR 40 N -0.60 0.43 -0.54 2.57 2.02 -1.19 0.32 112.91 115.93 1on2 h THR 40 Ca -0.05 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1on2 h THR 40 Cb 0.47 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1on2 h THR 40 CO 0.08 0.06 0.07 0.50 0.37 0.00 0.00 175.52 176.59 1on2 h LYS 41 N 0.31 0.90 -0.37 6.66 3.64 -1.29 -1.46 116.57 124.96 1on2 h LYS 41 Ca 0.52 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 59.48 1on2 h LYS 41 Cb 1.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1on2 h LYS 41 CO -0.56 0.89 -0.41 1.98 -2.27 0.00 0.00 179.45 179.07 1on2 h MET 42 N 0.79 0.94 -0.51 1.90 4.05 -0.07 -2.80 114.93 119.22 1on2 h MET 42 Ca 0.16 -0.51 -0.07 0.00 -0.28 0.00 0.00 59.70 59.00 1on2 h MET 42 Cb 0.44 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1on2 h MET 42 CO 0.01 1.16 0.03 0.28 0.23 0.00 0.00 176.91 178.63 1on2 h VAL 43 N 0.76 1.24 -0.55 -5.77 2.07 -0.37 -0.50 116.25 113.13 1on2 h VAL 43 Ca 0.05 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1on2 h VAL 43 Cb 1.01 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1on2 h VAL 43 CO 0.10 0.35 0.23 1.56 0.02 0.00 0.00 177.57 179.83 1on2 h GLN 44 N 0.78 0.79 -0.13 1.57 4.20 -1.18 -0.28 115.11 120.86 1on2 h GLN 44 Ca 0.16 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1on2 h GLN 44 Cb 0.43 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1on2 h GLN 44 CO 0.02 0.64 -0.20 -0.22 -0.67 0.00 0.00 178.83 178.40 1on2 h LYS 45 N 0.78 0.37 -0.18 1.46 3.64 -1.15 -1.98 116.57 119.51 1on2 h LYS 45 Ca 0.19 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1on2 h LYS 45 Cb 0.14 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1on2 h LYS 45 CO -0.02 0.80 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.81 1on2 h LEU 46 N -0.03 0.25 -0.18 5.20 3.38 -0.78 0.27 115.31 123.41 1on2 h LEU 46 Ca 0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1on2 h LEU 46 Cb 0.76 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1on2 h LEU 46 CO 0.05 0.37 -0.09 -0.78 0.09 0.00 0.00 178.44 178.08 1on2 h ASP 47 N 0.26 0.39 -0.65 -0.43 -0.00 -1.02 0.36 116.42 115.33 1on2 h ASP 47 Ca 0.06 -0.41 -0.08 0.00 -0.00 0.00 0.00 57.03 56.59 1on2 h ASP 47 Cb 0.32 -0.11 -0.03 0.00 -0.00 0.00 0.00 39.33 39.51 1on2 h ASP 47 CO 0.02 0.72 0.10 0.11 -0.00 0.00 0.00 179.24 180.18 1on2 h LYS 48 N 0.06 1.09 0.00 0.28 1.79 -0.69 -2.31 116.57 116.80 1on2 h LYS 48 Ca 0.04 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1on2 h LYS 48 Cb 0.57 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1on2 h LYS 48 CO 0.03 1.00 0.00 -0.25 -1.08 0.00 0.00 179.45 179.15 1on2 n ASP 49 N -4.21 0.00 -1.20 0.86 10.43 0.88 -4.90 116.55 118.42 1on2 n ASP 49 Ca 0.04 -1.12 -0.11 0.00 2.57 0.00 0.00 54.79 56.17 1on2 n ASP 49 Cb 0.30 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.24 1on2 n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1on2 n GLU 50 N -0.88 -0.88 0.02 -1.24 1.02 -0.85 -4.90 120.64 112.93 1on2 n GLU 50 Ca 0.16 0.63 0.04 0.00 -0.02 0.00 0.00 57.16 57.98 1on2 n GLU 50 Cb 0.07 -4.73 -0.10 0.00 -0.02 0.00 0.00 31.44 26.67 1on2 n GLU 50 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1on2 n TYR 51 N -3.70 0.57 -4.28 -0.32 4.02 0.12 -4.55 117.16 109.02 1on2 n TYR 51 Ca -0.13 0.18 -0.17 0.00 -0.01 0.00 0.00 57.90 57.77 1on2 n TYR 51 Cb 0.55 -0.89 -0.10 0.00 -0.02 0.00 0.00 39.34 38.88 1on2 n TYR 51 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1on2 s LEU 52 N -5.29 2.51 -0.07 7.72 1.43 -0.87 -2.08 118.68 122.04 1on2 s LEU 52 Ca -0.05 -0.97 -0.25 0.00 -1.03 0.00 0.00 54.13 51.83 1on2 s LEU 52 Cb 0.10 -0.52 0.06 0.00 0.03 0.00 0.00 46.19 45.86 1on2 s LEU 52 CO 0.84 -0.23 0.57 -0.51 0.23 0.00 0.00 176.35 177.25 1on2 s ILE 53 N -2.92 0.02 -0.00 -0.59 2.07 0.36 -4.25 121.20 115.88 1on2 s ILE 53 Ca 0.17 -0.13 -0.26 0.00 -1.41 0.00 0.00 60.65 59.02 1on2 s ILE 53 Cb -0.00 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 1on2 s ILE 53 CO 0.03 -0.07 0.81 -0.47 -1.91 0.00 0.00 174.94 173.33 1on2 s TYR 54 N -0.98 3.67 0.01 3.50 5.04 -1.26 -0.56 117.35 126.77 1on2 s TYR 54 Ca -0.10 1.47 0.07 0.00 -2.44 0.00 0.00 57.07 56.08 1on2 s TYR 54 Cb -0.02 -2.90 -0.02 0.00 0.35 0.00 0.00 41.96 39.36 1on2 s TYR 54 CO 0.07 0.13 -0.22 -2.00 -1.34 0.00 0.00 175.55 172.19 1on2 s GLU 55 N 0.51 1.63 0.27 4.97 2.12 0.17 -4.95 118.70 123.42 1on2 s GLU 55 Ca 0.42 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1on2 s GLU 55 Cb -0.20 -1.67 -0.13 0.00 0.26 0.00 0.00 34.13 32.39 1on2 s GLU 55 CO 0.23 0.44 1.30 1.17 -0.54 0.00 0.00 175.26 177.86 1on2 n LYS 56 N 2.18 1.92 0.00 4.30 4.81 -1.26 -0.26 118.16 129.86 1on2 n LYS 56 Ca -0.16 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1on2 n LYS 56 Cb 0.53 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.31 1on2 n LYS 56 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1on2 n TYR 57 N 1.15 0.00 0.13 5.64 0.53 -1.26 -4.45 117.16 118.90 1on2 n TYR 57 Ca 0.09 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 57.05 1on2 n TYR 57 Cb 0.33 0.00 0.03 0.00 -1.03 0.00 0.00 39.34 38.67 1on2 n TYR 57 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1on2 h ARG 58 N 0.00 0.00 0.00 -0.72 3.08 -1.89 -3.50 114.38 111.35 1on2 h ARG 58 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1on2 h ARG 58 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1on2 h ARG 58 CO 0.00 0.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 1on2 n GLY 59 N 1.21 0.33 3.62 0.04 0.00 0.65 -4.70 105.19 106.33 1on2 n GLY 59 Ca -0.01 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1on2 n GLY 59 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1on2 s LEU 60 N 0.00 3.76 0.22 0.99 2.96 -1.26 0.42 118.68 125.77 1on2 s LEU 60 Ca 0.00 1.32 0.05 0.00 -0.22 0.00 0.00 54.13 55.28 1on2 s LEU 60 Cb 0.00 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1on2 s LEU 60 CO 0.00 -1.33 -0.06 0.68 -1.32 0.00 0.00 176.35 174.32 1on2 s VAL 61 N 5.36 1.33 0.28 1.68 -7.23 0.28 -4.16 120.40 117.93 1on2 s VAL 61 Ca 0.68 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 1on2 s VAL 61 Cb -0.20 -2.24 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 1on2 s VAL 61 CO 0.29 -0.44 1.04 -0.76 -0.31 0.00 0.00 175.10 174.93 1on2 s LEU 62 N -3.32 4.55 0.00 1.32 1.43 -1.26 -0.49 118.68 120.91 1on2 s LEU 62 Ca 0.26 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 1on2 s LEU 62 Cb 0.04 -3.67 0.16 0.00 0.03 0.00 0.00 46.19 42.75 1on2 s LEU 62 CO 0.08 -0.07 0.96 0.35 0.23 0.00 0.00 176.35 177.90 1on2 n THR 63 N 1.18 0.00 -0.26 5.49 -2.24 -0.88 -4.70 114.28 112.86 1on2 n THR 63 Ca -0.01 -0.75 -0.07 0.00 -2.27 0.00 0.00 64.05 60.95 1on2 n THR 63 Cb 0.46 -1.60 0.05 0.00 -2.10 0.00 0.00 70.33 67.14 1on2 n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1on2 h SER 64 N -1.23 1.06 -0.50 3.42 0.02 -1.90 -0.40 113.55 114.03 1on2 h SER 64 Ca -0.31 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 1on2 h SER 64 Cb 0.87 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1on2 h SER 64 CO 0.23 1.00 0.26 0.50 -1.14 0.00 0.00 176.83 177.67 1on2 h LYS 65 N 1.08 0.70 -0.48 3.45 3.64 -1.90 -2.32 116.57 120.73 1on2 h LYS 65 Ca 0.23 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1on2 h LYS 65 Cb 0.32 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1on2 h LYS 65 CO -0.01 0.56 -0.05 0.78 -2.27 0.00 0.00 179.45 178.47 1on2 h GLY 66 N 0.66 0.96 1.27 5.01 0.00 -1.60 -2.68 103.07 106.69 1on2 h GLY 66 Ca 0.17 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 1on2 h GLY 66 CO -0.03 0.68 -0.09 1.70 0.00 0.00 0.00 176.54 178.81 1on2 h LYS 67 N 0.74 0.87 -0.45 4.80 3.64 -1.01 0.10 116.57 125.27 1on2 h LYS 67 Ca 0.13 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1on2 h LYS 67 Cb 0.58 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1on2 h LYS 67 CO 0.03 0.92 0.25 -0.22 -2.27 0.00 0.00 179.45 178.16 1on2 h LYS 68 N 0.78 0.62 -0.18 1.90 3.64 -1.35 -1.39 116.57 120.59 1on2 h LYS 68 Ca 0.13 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1on2 h LYS 68 Cb 0.60 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1on2 h LYS 68 CO 0.04 0.49 0.03 0.82 -2.27 0.00 0.00 179.45 178.56 1on2 h ILE 69 N 0.58 1.22 -0.83 2.00 2.04 -1.27 -3.01 117.51 118.24 1on2 h ILE 69 Ca 0.16 -0.72 0.11 0.00 1.00 0.00 0.00 64.86 65.41 1on2 h ILE 69 Cb 0.05 1.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 1on2 h ILE 69 CO -0.03 0.22 0.46 1.23 0.00 0.00 0.00 178.15 180.04 1on2 h GLY 70 N 0.09 1.30 0.96 5.37 0.00 -0.58 -0.79 103.07 109.42 1on2 h GLY 70 Ca 0.06 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.11 1on2 h GLY 70 CO 0.00 0.09 0.64 1.70 0.00 0.00 0.00 176.54 178.98 1on2 h LYS 71 N 0.76 1.23 -0.39 4.80 3.64 -1.15 -1.67 116.57 123.79 1on2 h LYS 71 Ca 0.41 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.63 1on2 h LYS 71 Cb 0.42 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1on2 h LYS 71 CO -0.27 0.82 -0.11 0.00 -2.27 0.00 0.00 179.45 177.61 1on2 h ARG 72 N 1.27 0.76 -0.66 1.90 3.08 -1.07 -2.08 114.38 117.59 1on2 h ARG 72 Ca 0.38 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1on2 h ARG 72 Cb -0.06 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1on2 h ARG 72 CO -0.10 0.91 0.19 -0.07 -1.07 0.00 0.00 179.97 179.82 1on2 h LEU 73 N 0.57 0.95 -0.49 3.04 3.38 -0.83 -0.60 115.31 121.34 1on2 h LEU 73 Ca 0.10 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1on2 h LEU 73 Cb 0.64 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1on2 h LEU 73 CO 0.04 0.90 -0.42 0.58 0.09 0.00 0.00 178.44 179.63 1on2 h VAL 74 N 0.98 1.29 -0.20 1.22 2.07 -1.27 -1.64 116.25 118.69 1on2 h VAL 74 Ca 0.21 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.14 1on2 h VAL 74 Cb 0.31 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1on2 h VAL 74 CO -0.00 0.52 0.09 0.22 0.02 0.00 0.00 177.57 178.41 1on2 h TYR 75 N 0.63 0.16 -0.73 1.57 3.20 -0.95 -1.22 116.97 119.63 1on2 h TYR 75 Ca 0.05 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1on2 h TYR 75 Cb 0.98 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 1on2 h TYR 75 CO 0.05 0.09 0.47 -0.09 -1.64 0.00 0.00 178.16 177.04 1on2 h ARG 76 N 0.19 0.91 -0.18 1.82 2.43 -0.97 -0.73 114.38 117.85 1on2 h ARG 76 Ca 0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1on2 h ARG 76 Cb 0.03 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1on2 h ARG 76 CO -0.07 0.60 0.07 1.25 -1.51 0.00 0.00 179.97 180.31 1on2 h HIS 77 N 0.94 0.27 -0.80 2.20 2.76 -1.01 -1.99 115.15 117.52 1on2 h HIS 77 Ca 0.28 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.39 1on2 h HIS 77 Cb -0.05 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 28.80 1on2 h HIS 77 CO -0.03 0.34 0.34 0.93 -1.30 0.00 0.00 177.93 178.22 1on2 h GLU 78 N 0.12 1.17 -0.62 5.26 4.39 -0.97 -1.34 114.58 122.60 1on2 h GLU 78 Ca 0.06 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 1on2 h GLU 78 Cb 0.19 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1on2 h GLU 78 CO -0.00 0.93 0.05 1.25 -1.16 0.00 0.00 179.01 180.08 1on2 h LEU 79 N 1.15 1.02 -0.75 1.33 5.85 -1.06 -1.17 115.31 121.68 1on2 h LEU 79 Ca 0.27 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1on2 h LEU 79 Cb 0.18 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1on2 h LEU 79 CO -0.03 1.04 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.88 1on2 h LEU 80 N 0.98 0.77 -0.41 2.25 3.38 -1.05 -0.12 115.31 121.11 1on2 h LEU 80 Ca 0.18 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1on2 h LEU 80 Cb 0.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1on2 h LEU 80 CO 0.02 0.94 0.07 -0.33 0.09 0.00 0.00 178.44 179.24 1on2 h GLU 81 N 0.69 0.68 -0.78 1.13 5.08 -0.93 -2.18 114.58 118.27 1on2 h GLU 81 Ca 0.11 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1on2 h GLU 81 Cb 0.66 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1on2 h GLU 81 CO 0.05 0.72 0.52 0.37 -1.00 0.00 0.00 179.01 179.66 1on2 h GLN 82 N 0.54 1.01 0.53 2.33 4.15 -0.92 -1.55 115.11 121.20 1on2 h GLN 82 Ca 0.13 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1on2 h GLN 82 Cb 0.36 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 1on2 h GLN 82 CO 0.01 0.67 -0.31 0.35 -1.93 0.00 0.00 178.83 177.62 1on2 h PHE 83 N 1.05 -0.82 -0.42 3.99 3.57 -0.80 0.01 116.94 123.51 1on2 h PHE 83 Ca 0.29 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1on2 h PHE 83 Cb -0.10 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1on2 h PHE 83 CO -0.02 -0.48 0.16 -0.07 -2.23 0.00 0.00 178.31 175.67 1on2 h LEU 84 N -0.79 0.54 -0.36 0.59 3.38 -1.29 -1.76 115.31 115.61 1on2 h LEU 84 Ca -0.06 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1on2 h LEU 84 Cb 0.64 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1on2 h LEU 84 CO 0.07 0.49 -0.22 -0.09 0.09 0.00 0.00 178.44 178.79 1on2 h ARG 85 N 0.59 0.79 -0.69 1.13 2.43 -1.08 -1.44 114.38 116.11 1on2 h ARG 85 Ca 0.15 -0.36 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 1on2 h ARG 85 Cb 0.13 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1on2 h ARG 85 CO -0.01 0.99 0.32 0.82 -1.51 0.00 0.00 179.97 180.58 1on2 h ILE 86 N 0.58 1.22 -0.23 1.20 2.04 -0.43 -2.45 117.51 119.45 1on2 h ILE 86 Ca 0.08 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1on2 h ILE 86 Cb 0.78 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1on2 h ILE 86 CO 0.06 0.26 0.00 2.30 0.00 0.00 0.00 178.15 180.78 1on2 n ILE 87 N -4.33 0.30 -0.37 -0.67 -5.35 -0.71 -4.92 119.36 103.31 1on2 n ILE 87 Ca 0.06 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1on2 n ILE 87 Cb 0.14 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 1on2 n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1on2 n GLY 88 N 0.90 0.81 3.75 3.28 0.00 -0.92 -5.04 105.19 107.97 1on2 n GLY 88 Ca 0.09 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1on2 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1on2 s VAL 89 N -2.00 2.59 0.00 1.61 1.01 -0.55 -4.89 120.40 118.17 1on2 s VAL 89 Ca 0.00 0.50 -0.38 0.00 0.00 0.00 0.00 61.98 62.10 1on2 s VAL 89 Cb 0.00 -3.32 -0.17 0.00 0.00 0.00 0.00 36.38 32.89 1on2 s VAL 89 CO 0.00 0.08 1.38 0.47 0.00 0.00 0.00 175.10 177.03 1on2 n ASP 90 N 2.30 1.58 -0.33 3.32 9.92 -1.26 -4.73 116.55 127.35 1on2 n ASP 90 Ca 0.07 1.12 0.18 0.00 -0.53 0.00 0.00 54.79 55.62 1on2 n ASP 90 Cb 0.40 -1.15 0.41 0.00 -0.64 0.00 0.00 41.12 40.15 1on2 n ASP 90 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1on2 h GLU 91 N 4.84 0.55 0.00 -1.24 4.57 -1.97 0.55 114.58 121.88 1on2 h GLU 91 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1on2 h GLU 91 Cb 1.34 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1on2 h GLU 91 CO 0.80 0.36 0.00 0.39 -1.18 0.00 0.00 179.01 179.38 1on2 n GLU 92 N -4.74 0.11 -0.00 1.92 4.71 -1.26 -3.16 120.64 118.22 1on2 n GLU 92 Ca 0.25 0.31 0.08 0.00 -0.01 0.00 0.00 57.16 57.79 1on2 n GLU 92 Cb 0.73 -1.69 -0.10 0.00 -1.01 0.00 0.00 31.44 29.37 1on2 n GLU 92 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1on2 n LYS 93 N -1.90 1.44 0.23 3.49 5.02 0.17 -4.70 118.16 121.91 1on2 n LYS 93 Ca 0.03 -0.03 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1on2 n LYS 93 Cb 0.23 -1.29 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 1on2 n LYS 93 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1on2 h ILE 94 N 0.00 0.38 -0.50 -0.18 2.04 -1.47 -2.93 117.51 114.85 1on2 h ILE 94 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1on2 h ILE 94 Cb 0.46 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1on2 h ILE 94 CO 0.00 0.00 0.10 0.22 0.00 0.00 0.00 178.15 178.47 1on2 h TYR 95 N -0.67 0.16 -0.83 1.37 3.20 -1.84 -0.56 116.97 117.79 1on2 h TYR 95 Ca -0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1on2 h TYR 95 Cb 0.59 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1on2 h TYR 95 CO -0.15 -0.01 0.51 -0.91 -1.64 0.00 0.00 178.16 175.96 1on2 h ASN 96 N 0.23 1.00 -0.05 -2.11 -0.26 -1.86 -0.73 115.58 111.80 1on2 h ASN 96 Ca 0.25 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 1on2 h ASN 96 Cb 0.34 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1on2 h ASN 96 CO -0.33 0.76 -0.00 0.44 -1.06 0.00 0.00 177.43 177.24 1on2 h ASP 97 N 1.14 0.09 -0.58 5.81 3.45 -1.23 -1.67 116.42 123.43 1on2 h ASP 97 Ca 0.30 -0.32 0.06 0.00 0.43 0.00 0.00 57.03 57.49 1on2 h ASP 97 Cb -0.06 -0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 38.64 1on2 h ASP 97 CO -0.06 0.39 0.29 0.58 -1.57 0.00 0.00 179.24 178.87 1on2 h VAL 98 N -0.22 0.92 -0.64 -1.35 2.07 -0.95 -0.95 116.25 115.13 1on2 h VAL 98 Ca 0.01 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1on2 h VAL 98 Cb 0.35 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1on2 h VAL 98 CO 0.00 0.10 0.42 -0.08 0.02 0.00 0.00 177.57 178.04 1on2 h GLU 99 N 0.55 0.74 0.00 1.57 4.81 -1.05 -1.06 114.58 120.13 1on2 h GLU 99 Ca 0.27 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1on2 h GLU 99 Cb 0.20 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1on2 h GLU 99 CO -0.19 0.49 -0.40 0.78 -0.73 0.00 0.00 179.01 178.96 1on2 h GLY 100 N 0.76 0.00 0.00 1.92 0.00 -0.23 -3.39 103.07 102.13 1on2 h GLY 100 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.48 1on2 h GLY 100 CO -0.07 0.00 -1.57 0.29 0.00 0.00 0.00 176.54 175.19 1on2 n ILE 101 N -2.81 0.38 -0.32 2.60 -5.35 -0.61 -4.73 119.36 108.52 1on2 n ILE 101 Ca 0.03 -0.33 0.21 0.00 -0.27 0.00 0.00 62.75 62.38 1on2 n ILE 101 Cb 0.52 -0.33 0.47 0.00 -1.74 0.00 0.00 39.64 38.57 1on2 n ILE 101 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 1on2 h GLU 102 N 0.00 0.45 -0.01 6.28 4.11 -1.40 -0.33 114.58 123.68 1on2 h GLU 102 Ca -0.15 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1on2 h GLU 102 Cb 1.12 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1on2 h GLU 102 CO 0.01 0.30 -0.07 0.72 0.07 0.00 0.00 179.01 180.04 1on2 n HIS 103 N -4.66 0.00 -0.00 2.06 8.25 -1.26 -3.98 115.22 115.63 1on2 n HIS 103 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1on2 n HIS 103 Cb 0.81 -0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.87 1on2 n HIS 103 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1on2 n HIS 104 N -0.34 0.02 -4.29 4.41 8.25 -0.15 -4.76 115.22 118.36 1on2 n HIS 104 Ca 0.18 -0.44 -0.35 0.00 -0.26 0.00 0.00 57.72 56.84 1on2 n HIS 104 Cb 0.30 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.28 1on2 n HIS 104 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1on2 s LEU 105 N -0.89 3.68 0.73 2.41 1.43 -1.11 -5.10 118.68 119.82 1on2 s LEU 105 Ca 0.01 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1on2 s LEU 105 Cb 0.01 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1on2 s LEU 105 CO 0.01 0.36 1.09 -0.94 0.23 0.00 0.00 176.35 177.09 1on2 s SER 106 N -0.74 4.86 0.57 2.29 1.04 -1.26 -4.87 113.70 115.59 1on2 s SER 106 Ca 0.12 1.82 0.36 0.00 0.48 0.00 0.00 55.95 58.72 1on2 s SER 106 Cb -0.12 -2.52 1.57 0.00 0.10 0.00 0.00 66.02 65.06 1on2 s SER 106 CO 0.02 -1.80 2.06 -0.50 0.98 0.00 0.00 173.24 174.00 1on2 h TRP 107 N -0.74 0.00 -0.07 5.02 4.06 -1.98 -1.92 115.95 120.32 1on2 h TRP 107 Ca -0.44 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.50 1on2 h TRP 107 Cb 1.23 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.39 1on2 h TRP 107 CO 0.58 0.00 0.03 -0.91 -3.56 0.00 0.00 178.44 174.58 1on2 h ASN 108 N 0.00 0.10 -0.49 -3.49 4.21 -1.99 0.31 115.58 114.22 1on2 h ASN 108 Ca 0.00 -0.17 -0.07 0.00 1.21 0.00 0.00 56.30 57.28 1on2 h ASN 108 Cb 0.41 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.56 1on2 h ASN 108 CO 0.00 0.24 0.08 0.28 -1.29 0.00 0.00 177.43 176.74 1on2 h SER 109 N -0.04 0.83 -0.25 5.81 0.02 -1.79 -1.68 113.55 116.45 1on2 h SER 109 Ca 0.02 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1on2 h SER 109 Cb 0.17 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1on2 h SER 109 CO -0.00 0.85 0.13 0.40 -1.14 0.00 0.00 176.83 177.07 1on2 h ILE 110 N 0.83 1.13 -0.51 3.27 1.08 -1.09 -0.72 117.51 121.51 1on2 h ILE 110 Ca 0.17 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 1on2 h ILE 110 Cb 0.39 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1on2 h ILE 110 CO 0.01 0.13 0.17 0.44 -0.69 0.00 0.00 178.15 178.21 1on2 h ASP 111 N 0.28 0.68 0.55 1.72 3.32 -0.68 -0.77 116.42 121.53 1on2 h ASP 111 Ca 0.09 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1on2 h ASP 111 Cb 0.09 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1on2 h ASP 111 CO -0.01 0.65 -0.63 0.03 -1.72 0.00 0.00 179.24 177.56 1on2 h ARG 112 N 0.73 0.07 -0.15 3.56 2.47 -1.04 -2.00 114.38 118.02 1on2 h ARG 112 Ca 0.17 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.71 1on2 h ARG 112 Cb 0.20 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1on2 h ARG 112 CO -0.01 0.67 -0.46 0.82 0.56 0.00 0.00 179.97 181.55 1on2 h ILE 113 N 0.05 1.32 -0.70 2.04 2.04 -0.52 -2.14 117.51 119.61 1on2 h ILE 113 Ca -0.01 -1.66 -0.03 0.00 1.00 0.00 0.00 64.86 64.16 1on2 h ILE 113 Cb 1.12 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 1on2 h ILE 113 CO 0.09 0.51 0.31 1.23 0.00 0.00 0.00 178.15 180.28 1on2 h GLY 114 N 1.20 1.08 1.08 5.37 0.00 -0.62 0.12 103.07 111.31 1on2 h GLY 114 Ca 0.02 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 1on2 h GLY 114 CO 0.08 0.51 -0.01 -0.55 0.00 0.00 0.00 176.54 176.57 1on2 h ASP 115 N 1.00 1.06 -0.52 0.19 3.32 -1.01 -2.48 116.42 117.97 1on2 h ASP 115 Ca 0.24 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1on2 h ASP 115 Cb 0.14 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1on2 h ASP 115 CO -0.03 1.11 0.22 0.25 -1.72 0.00 0.00 179.24 179.07 1on2 h LEU 116 N 0.97 0.71 -0.26 1.55 5.85 -0.72 -1.22 115.31 122.19 1on2 h LEU 116 Ca 0.17 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1on2 h LEU 116 Cb 0.57 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1on2 h LEU 116 CO 0.03 0.68 0.13 0.58 -0.34 0.00 0.00 178.44 179.52 1on2 h VAL 117 N 0.70 1.00 0.00 1.05 2.07 -0.79 -1.80 116.25 118.47 1on2 h VAL 117 Ca 0.17 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1on2 h VAL 117 Cb 0.18 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1on2 h VAL 117 CO -0.02 0.05 -0.03 0.06 0.02 0.00 0.00 177.57 177.65 1on2 h GLN 118 N 0.27 0.00 -0.27 1.57 3.07 -1.30 -1.44 115.11 117.01 1on2 h GLN 118 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.83 1on2 h GLN 118 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 1on2 h GLN 118 CO -0.07 0.03 0.11 -0.92 0.09 0.00 0.00 178.83 178.07 1on2 h TYR 119 N 0.00 0.41 0.00 0.06 3.20 -0.36 -2.36 116.97 117.92 1on2 h TYR 119 Ca -0.00 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 1on2 h TYR 119 Cb 0.60 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1on2 h TYR 119 CO 0.00 0.41 -0.62 0.74 -1.64 0.00 0.00 178.16 177.05 1on2 h PHE 120 N 0.29 0.00 0.00 -3.82 -1.00 -1.18 -3.27 116.94 107.97 1on2 h PHE 120 Ca 0.09 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 1on2 h PHE 120 Cb 0.17 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1on2 h PHE 120 CO -0.01 0.62 -0.26 0.93 -1.61 0.00 0.00 178.31 177.99 1on2 h GLU 121 N 0.00 0.00 0.00 1.51 4.39 -1.03 -3.20 114.58 116.26 1on2 h GLU 121 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1on2 h GLU 121 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1on2 h GLU 121 CO 0.08 0.26 -0.22 -0.85 -1.16 0.00 0.00 179.01 177.12 1on2 n GLU 122 N -3.46 0.21 -3.32 2.33 0.28 -0.91 -4.75 120.64 111.02 1on2 n GLU 122 Ca -0.00 0.13 -0.07 0.00 -0.16 0.00 0.00 57.16 57.05 1on2 n GLU 122 Cb 0.43 -1.70 -0.07 0.00 1.43 0.00 0.00 31.44 31.54 1on2 n GLU 122 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1on2 s ASP 123 N -4.06 -0.01 0.63 -1.84 2.15 -1.21 -5.00 116.67 107.33 1on2 s ASP 123 Ca 0.10 0.31 0.32 0.00 0.43 0.00 0.00 52.55 53.71 1on2 s ASP 123 Cb 0.14 1.28 1.79 0.00 -0.30 0.00 0.00 42.92 45.83 1on2 s ASP 123 CO 0.63 -0.30 2.07 -0.78 -0.17 0.00 0.00 175.17 176.63 1on2 h ASP 124 N 8.15 0.00 0.04 -0.34 1.82 -1.86 -0.02 116.42 124.21 1on2 h ASP 124 Ca -0.20 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.40 1on2 h ASP 124 Cb 1.16 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 1on2 h ASP 124 CO 0.27 0.00 -0.13 0.00 -1.61 0.00 0.00 179.24 177.77 1on2 h ALA 125 N 1.64 1.53 -0.30 -0.78 0.00 -1.94 -1.71 119.26 117.70 1on2 h ALA 125 Ca 0.05 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1on2 h ALA 125 Cb 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1on2 h ALA 125 CO -0.00 0.34 -0.47 0.00 0.00 0.00 0.00 179.25 179.12 1on2 h ARG 126 N 0.20 0.79 -0.52 0.00 3.08 -1.32 -1.33 114.38 115.28 1on2 h ARG 126 Ca 0.04 -0.45 -0.05 0.00 0.07 0.00 0.00 59.98 59.59 1on2 h ARG 126 Cb 0.37 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1on2 h ARG 126 CO 0.02 1.08 0.13 0.87 -1.07 0.00 0.00 179.97 181.01 1on2 h LYS 127 N 0.62 0.83 -0.64 0.04 1.57 -1.48 -0.73 116.57 116.78 1on2 h LYS 127 Ca 0.03 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1on2 h LYS 127 Cb 1.04 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 1on2 h LYS 127 CO 0.10 0.79 0.11 0.87 -0.57 0.00 0.00 179.45 180.75 1on2 h LYS 128 N 0.72 1.06 -0.40 3.15 1.79 -1.25 -0.15 116.57 121.49 1on2 h LYS 128 Ca 0.16 -0.28 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1on2 h LYS 128 Cb 0.33 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1on2 h LYS 128 CO 0.00 0.98 0.07 -0.44 -1.08 0.00 0.00 179.45 178.98 1on2 h ASP 129 N 0.97 0.55 -0.08 0.86 5.19 -0.93 -1.24 116.42 121.74 1on2 h ASP 129 Ca 0.20 -0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.44 1on2 h ASP 129 Cb 0.43 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1on2 h ASP 129 CO 0.01 0.57 -0.24 0.25 -3.12 0.00 0.00 179.24 176.71 1on2 h LEU 130 N 0.58 0.35 -1.32 1.55 5.85 -0.69 -3.24 115.31 118.39 1on2 h LEU 130 Ca 0.13 -0.61 0.01 0.00 0.84 0.00 0.00 57.88 58.26 1on2 h LEU 130 Cb 0.26 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1on2 h LEU 130 CO 0.00 0.89 0.46 0.50 -0.34 0.00 0.00 178.44 179.96 1on2 h LYS 131 N -0.18 0.90 0.00 1.25 3.11 -0.81 -0.98 116.57 119.87 1on2 h LYS 131 Ca -0.01 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 1on2 h LYS 131 Cb 0.86 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1on2 h LYS 131 CO 0.05 0.60 -0.03 0.66 -2.81 0.00 0.00 179.45 177.92 1on2 h SER 132 N 0.93 0.00 -0.18 4.20 4.64 -1.26 0.04 113.55 121.92 1on2 h SER 132 Ca 0.26 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.37 1on2 h SER 132 Cb -0.08 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1on2 h SER 132 CO -0.06 0.03 -0.68 0.40 -0.87 0.00 0.00 176.83 175.65 1on2 h ILE 133 N 0.00 1.28 -0.54 0.95 1.08 -1.21 -2.79 117.51 116.27 1on2 h ILE 133 Ca -0.00 -1.88 -0.11 0.00 -0.39 0.00 0.00 64.86 62.48 1on2 h ILE 133 Cb 0.05 1.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 1on2 h ILE 133 CO 0.00 0.60 -0.08 -0.61 -0.69 0.00 0.00 178.15 177.37 1on2 h GLN 134 N 0.58 1.00 -0.47 2.37 4.15 -1.02 -2.97 115.11 118.74 1on2 h GLN 134 Ca -0.02 -0.35 0.05 0.00 0.77 0.00 0.00 58.65 59.10 1on2 h GLN 134 Cb 1.29 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.86 1on2 h GLN 134 CO 0.14 1.03 0.19 0.87 -1.93 0.00 0.00 178.83 179.14 1on2 h LYS 135 N 0.90 0.37 -0.00 1.69 1.57 -0.99 -3.52 116.57 116.60 1on2 h LYS 135 Ca 0.15 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1on2 h LYS 135 Cb 0.63 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1on2 h LYS 135 CO 0.04 0.25 0.00 1.63 -0.57 0.00 0.00 179.45 180.80