#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 0.01 0.22 4.28 -4.23 -1.26 -5.01 115.64 109.65 1on2 s THR 3 Ca 0.00 -1.75 -0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1on2 s THR 3 Cb 0.00 -2.32 0.18 0.00 1.34 0.00 0.00 72.50 71.70 1on2 s THR 3 CO 0.00 -0.06 1.88 -0.65 -0.54 0.00 0.00 174.62 175.26 1on2 h PRO 4 N 2.51 1.03 -0.68 3.99 0.11 -1.99 -0.88 132.00 136.09 1on2 h PRO 4 Ca -0.32 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 1on2 h PRO 4 Cb 1.24 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1on2 h PRO 4 CO 0.47 0.68 0.13 1.03 -0.21 0.00 0.00 178.00 180.10 1on2 h SER 5 N 1.06 1.05 -0.34 -2.05 0.87 -1.99 0.11 113.55 112.27 1on2 h SER 5 Ca 0.30 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.54 1on2 h SER 5 Cb -0.09 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.58 1on2 h SER 5 CO -0.08 1.03 -0.06 0.24 -0.53 0.00 0.00 176.83 177.44 1on2 h MET 6 N 1.04 0.74 -0.14 2.24 2.86 -1.85 -2.12 114.93 117.70 1on2 h MET 6 Ca 0.21 -0.22 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 1on2 h MET 6 Cb 0.42 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1on2 h MET 6 CO 0.01 0.79 -0.64 0.93 1.06 0.00 0.00 176.91 179.06 1on2 h GLU 7 N 0.68 0.53 -0.62 1.72 5.08 -0.77 -0.67 114.58 120.53 1on2 h GLU 7 Ca 0.13 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1on2 h GLU 7 Cb 0.50 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1on2 h GLU 7 CO 0.03 0.99 0.41 1.98 -1.00 0.00 0.00 179.01 181.41 1on2 h MET 8 N 0.38 0.82 -0.30 2.33 4.05 -0.44 -0.57 114.93 121.20 1on2 h MET 8 Ca -0.01 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.25 1on2 h MET 8 Cb 1.20 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 1on2 h MET 8 CO 0.12 0.54 -0.21 1.88 0.23 0.00 0.00 176.91 179.48 1on2 h TYR 9 N 0.84 0.79 -0.74 1.39 -1.99 -1.28 -2.23 116.97 113.75 1on2 h TYR 9 Ca 0.23 -0.21 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 1on2 h TYR 9 Cb -0.09 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.43 1on2 h TYR 9 CO -0.03 0.93 0.30 0.82 -0.00 0.00 0.00 178.16 180.18 1on2 h ILE 10 N 0.42 1.25 -0.30 -2.88 2.04 -0.92 0.58 117.51 117.69 1on2 h ILE 10 Ca 0.06 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1on2 h ILE 10 Cb 0.75 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1on2 h ILE 10 CO 0.06 0.31 0.19 -0.08 0.00 0.00 0.00 178.15 178.63 1on2 h GLU 11 N 1.06 0.41 -0.64 2.37 4.81 -1.07 -0.57 114.58 120.94 1on2 h GLU 11 Ca 0.25 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1on2 h GLU 11 Cb 0.20 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1on2 h GLU 11 CO -0.02 0.30 0.04 0.37 -0.73 0.00 0.00 179.01 178.97 1on2 h GLN 12 N 0.39 1.10 -0.48 1.92 5.75 -1.04 -1.66 115.11 121.11 1on2 h GLN 12 Ca 0.11 -0.33 -0.07 0.00 -0.15 0.00 0.00 58.65 58.21 1on2 h GLN 12 Cb -0.01 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1on2 h GLN 12 CO -0.02 1.04 0.02 0.82 -2.65 0.00 0.00 178.83 178.04 1on2 h ILE 13 N 1.01 1.26 -0.61 2.39 2.04 -0.70 -2.05 117.51 120.85 1on2 h ILE 13 Ca 0.19 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1on2 h ILE 13 Cb 0.52 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1on2 h ILE 13 CO 0.02 0.36 0.38 0.22 0.00 0.00 0.00 178.15 179.13 1on2 h TYR 14 N 0.68 0.79 -0.71 1.37 3.20 -0.93 -1.80 116.97 119.58 1on2 h TYR 14 Ca 0.14 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1on2 h TYR 14 Cb 0.48 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1on2 h TYR 14 CO 0.04 0.53 0.43 0.52 -1.64 0.00 0.00 178.16 178.04 1on2 h MET 15 N 0.82 0.96 -0.35 1.82 2.86 -1.08 -1.43 114.93 118.54 1on2 h MET 15 Ca 0.22 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1on2 h MET 15 Cb -0.04 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.40 1on2 h MET 15 CO -0.04 0.68 0.01 -0.07 1.06 0.00 0.00 176.91 178.55 1on2 h LEU 16 N 0.97 0.59 -0.76 1.22 3.38 -1.08 -0.31 115.31 119.32 1on2 h LEU 16 Ca 0.26 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1on2 h LEU 16 Cb -0.04 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1on2 h LEU 16 CO -0.05 0.74 0.40 0.40 0.09 0.00 0.00 178.44 180.03 1on2 h ILE 17 N 0.42 1.23 -0.36 1.22 2.04 -1.16 0.82 117.51 121.72 1on2 h ILE 17 Ca 0.10 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 1on2 h ILE 17 Cb 0.43 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1on2 h ILE 17 CO 0.02 0.26 -0.13 -0.08 0.00 0.00 0.00 178.15 178.22 1on2 h GLU 18 N 1.05 0.64 0.12 2.37 4.81 -1.12 0.36 114.58 122.82 1on2 h GLU 18 Ca 0.27 -0.20 -0.26 0.00 -0.13 0.00 0.00 59.36 59.03 1on2 h GLU 18 Cb 0.06 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1on2 h GLU 18 CO -0.04 0.75 -1.29 1.49 -0.73 0.00 0.00 179.01 179.19 1on2 h GLU 19 N 0.59 0.26 0.00 1.92 4.57 -0.43 -3.41 114.58 118.07 1on2 h GLU 19 Ca 0.10 -0.44 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 1on2 h GLU 19 Cb 0.56 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1on2 h GLU 19 CO 0.04 1.21 -1.60 1.63 -1.18 0.00 0.00 179.01 179.10 1on2 n LYS 20 N -3.97 0.47 -0.21 1.92 5.02 0.28 -5.00 118.16 116.67 1on2 n LYS 20 Ca -0.23 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 1on2 n LYS 20 Cb 0.88 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 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 1.78 0.62 3.66 0.72 0.00 0.13 -5.00 105.19 107.10 1on2 n GLY 21 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.43 -0.31 -0.37 1.61 -0.85 -1.25 -4.90 117.35 108.84 1on2 s TYR 22 Ca 0.00 -0.05 0.00 0.00 -0.52 0.00 0.00 57.07 56.51 1on2 s TYR 22 Cb 0.00 0.62 0.13 0.00 0.38 0.00 0.00 41.96 43.09 1on2 s TYR 22 CO 0.00 -1.06 0.20 0.00 -1.52 0.00 0.00 175.55 173.17 1on2 s ALA 23 N -3.85 1.40 0.33 9.51 0.00 -1.26 -3.43 121.76 124.46 1on2 s ALA 23 Ca 0.07 -2.04 -0.24 0.00 0.00 0.00 0.00 51.96 49.74 1on2 s ALA 23 Cb -0.04 -1.69 -0.10 0.00 0.00 0.00 0.00 23.12 21.29 1on2 s ALA 23 CO -0.01 -2.01 0.91 1.03 0.00 0.00 0.00 175.76 175.68 1on2 s ARG 24 N 0.95 4.48 0.25 0.00 0.52 -1.26 -4.46 118.95 119.42 1on2 s ARG 24 Ca 0.16 1.23 -0.04 0.00 -0.52 0.00 0.00 55.73 56.56 1on2 s ARG 24 Cb -0.22 -2.71 0.47 0.00 0.52 0.00 0.00 34.95 33.00 1on2 s ARG 24 CO -0.05 0.25 1.73 0.28 0.02 0.00 0.00 175.30 177.53 1on2 h VAL 25 N 2.51 0.66 -0.92 3.52 2.07 -1.99 -0.55 116.25 121.56 1on2 h VAL 25 Ca -0.47 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1on2 h VAL 25 Cb 1.19 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1on2 h VAL 25 CO 0.64 0.08 0.54 0.77 0.02 0.00 0.00 177.57 179.63 1on2 h SER 26 N 0.46 1.11 -0.48 0.57 4.64 -1.96 0.13 113.55 118.03 1on2 h SER 26 Ca 0.42 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.58 1on2 h SER 26 Cb 0.63 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1on2 h SER 26 CO -0.40 0.86 -0.02 0.44 -0.87 0.00 0.00 176.83 176.84 1on2 h ASP 27 N 1.27 0.85 -0.25 4.97 5.19 -1.54 0.79 116.42 127.70 1on2 h ASP 27 Ca 0.33 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1on2 h ASP 27 Cb -0.03 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.24 1on2 h ASP 27 CO -0.06 0.96 0.03 0.40 -3.12 0.00 0.00 179.24 177.46 1on2 h ILE 28 N 0.71 1.23 -0.78 0.35 2.04 -0.85 -1.37 117.51 118.85 1on2 h ILE 28 Ca 0.13 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1on2 h ILE 28 Cb 0.54 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1on2 h ILE 28 CO 0.03 0.25 0.52 0.00 0.00 0.00 0.00 178.15 178.94 1on2 h ALA 29 N 0.85 1.44 -0.39 1.87 0.00 -0.61 -1.56 119.26 120.86 1on2 h ALA 29 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1on2 h ALA 29 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1on2 h ALA 29 CO 0.01 0.52 0.10 1.49 0.00 0.00 0.00 179.25 181.37 1on2 h GLU 30 N 1.06 0.61 -0.17 0.00 4.81 -0.52 0.32 114.58 120.68 1on2 h GLU 30 Ca 0.29 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1on2 h GLU 30 Cb -0.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1on2 h GLU 30 CO -0.06 0.64 -0.33 0.00 -0.73 0.00 0.00 179.01 178.52 1on2 h ALA 31 N 0.95 1.12 -0.01 2.92 0.00 -0.79 -3.17 119.26 120.27 1on2 h ALA 31 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1on2 h ALA 31 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1on2 h ALA 31 CO -0.00 0.56 -0.45 1.28 0.00 0.00 0.00 179.25 180.65 1on2 n LEU 32 N -4.08 1.52 -3.51 0.00 4.77 -0.63 -4.99 117.00 110.09 1on2 n LEU 32 Ca -0.01 -0.53 -0.19 0.00 -0.03 0.00 0.00 56.01 55.25 1on2 n LEU 32 Cb 0.44 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1on2 n LEU 32 CO 0.42 0.29 0.03 0.00 -1.33 0.00 0.00 177.39 176.80 1on2 n ALA 33 N -0.43 -2.10 -2.26 -1.18 0.00 0.06 -5.02 120.51 109.58 1on2 n ALA 33 Ca 0.10 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1on2 n ALA 33 Cb 0.41 -2.74 -0.10 0.00 0.00 0.00 0.00 19.45 17.02 1on2 n ALA 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1on2 s VAL 34 N -3.47 0.38 0.32 0.00 -7.23 -0.94 -5.07 120.40 104.39 1on2 s VAL 34 Ca 0.08 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 57.98 1on2 s VAL 34 Cb -0.01 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 1on2 s VAL 34 CO 0.76 -0.08 1.03 -2.28 -0.31 0.00 0.00 175.10 174.22 1on2 s HIS 35 N -3.88 3.55 0.46 2.82 5.65 -1.26 -4.65 115.29 117.98 1on2 s HIS 35 Ca 0.36 1.73 0.17 0.00 0.25 0.00 0.00 55.06 57.57 1on2 s HIS 35 Cb 0.07 -3.12 1.14 0.00 -1.18 0.00 0.00 32.58 29.50 1on2 s HIS 35 CO 0.11 -0.29 1.98 -1.00 -0.65 0.00 0.00 174.74 174.89 1on2 h PRO 36 N 3.28 0.27 -0.41 2.88 0.13 -1.93 -0.12 132.00 136.10 1on2 h PRO 36 Ca -0.47 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1on2 h PRO 36 Cb 1.21 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1on2 h PRO 36 CO 0.65 0.18 0.23 0.66 -0.23 0.00 0.00 178.00 179.49 1on2 h SER 37 N 0.28 0.48 0.10 1.44 4.64 -1.97 0.22 113.55 118.73 1on2 h SER 37 Ca 0.27 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.41 1on2 h SER 37 Cb 0.70 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1on2 h SER 37 CO -0.06 0.38 -0.56 0.28 -0.87 0.00 0.00 176.83 176.01 1on2 h SER 38 N 0.56 0.54 0.05 4.97 0.02 -1.41 -2.19 113.55 116.09 1on2 h SER 38 Ca 0.15 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1on2 h SER 38 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1on2 h SER 38 CO -0.03 0.99 -0.02 0.58 -1.14 0.00 0.00 176.83 177.21 1on2 h VAL 39 N 0.37 1.15 -1.00 2.27 2.07 -0.71 -2.52 116.25 117.89 1on2 h VAL 39 Ca 0.01 -0.62 0.11 0.00 0.82 0.00 0.00 66.70 67.01 1on2 h VAL 39 Cb 1.09 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 1on2 h VAL 39 CO 0.10 0.16 0.63 0.74 0.02 0.00 0.00 177.57 179.22 1on2 h THR 40 N -0.34 0.96 -0.53 2.57 2.02 -0.61 0.16 112.91 117.15 1on2 h THR 40 Ca -0.01 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1on2 h THR 40 Cb 0.30 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 1on2 h THR 40 CO 0.01 0.19 0.29 0.50 0.37 0.00 0.00 175.52 176.88 1on2 h LYS 41 N 1.03 0.74 -0.46 6.66 3.64 -1.24 -0.39 116.57 126.55 1on2 h LYS 41 Ca 0.48 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.64 1on2 h LYS 41 Cb 0.41 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1on2 h LYS 41 CO -0.24 0.58 -0.21 1.98 -2.27 0.00 0.00 179.45 179.29 1on2 h MET 42 N 0.71 0.95 -0.98 1.90 4.05 -0.82 -2.61 114.93 118.14 1on2 h MET 42 Ca 0.19 -0.41 0.01 0.00 -0.28 0.00 0.00 59.70 59.20 1on2 h MET 42 Cb 0.05 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.77 1on2 h MET 42 CO -0.03 1.08 0.64 0.28 0.23 0.00 0.00 176.91 179.11 1on2 h VAL 43 N 0.80 1.25 -0.80 -5.77 2.07 -0.43 0.92 116.25 114.28 1on2 h VAL 43 Ca 0.10 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1on2 h VAL 43 Cb 0.78 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1on2 h VAL 43 CO 0.06 0.24 0.52 1.56 0.02 0.00 0.00 177.57 179.98 1on2 h GLN 44 N 1.33 1.07 -0.35 1.57 4.20 -0.89 0.83 115.11 122.86 1on2 h GLN 44 Ca 0.36 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 1on2 h GLN 44 Cb -0.15 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.38 1on2 h GLN 44 CO -0.08 0.72 0.04 -0.22 -0.67 0.00 0.00 178.83 178.62 1on2 h LYS 45 N 1.09 0.60 0.00 1.46 3.64 -0.90 -0.62 116.57 121.84 1on2 h LYS 45 Ca 0.29 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1on2 h LYS 45 Cb -0.11 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1on2 h LYS 45 CO -0.06 0.69 -0.18 -0.07 -2.27 0.00 0.00 179.45 177.56 1on2 h LEU 46 N 0.43 0.00 -0.19 5.20 3.38 -0.41 0.57 115.31 124.30 1on2 h LEU 46 Ca 0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1on2 h LEU 46 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1on2 h LEU 46 CO 0.01 0.18 -0.40 -0.78 0.09 0.00 0.00 178.44 177.54 1on2 h ASP 47 N 0.00 0.67 -0.40 -0.43 1.82 -0.46 -0.04 116.42 117.58 1on2 h ASP 47 Ca -0.00 -0.56 -0.04 0.00 -0.39 0.00 0.00 57.03 56.04 1on2 h ASP 47 Cb 0.33 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 1on2 h ASP 47 CO 0.02 1.11 0.14 0.50 -1.61 0.00 0.00 179.24 179.40 1on2 h LYS 48 N 0.27 0.68 -0.22 0.28 3.64 -0.23 -2.10 116.57 118.88 1on2 h LYS 48 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1on2 h LYS 48 Cb 1.01 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1on2 h LYS 48 CO 0.09 0.60 0.00 -0.25 -2.27 0.00 0.00 179.45 177.62 1on2 n ASP 49 N -4.32 1.64 -1.91 4.20 8.00 0.11 -4.94 116.55 119.32 1on2 n ASP 49 Ca 0.03 -1.81 -0.15 0.00 0.71 0.00 0.00 54.79 53.58 1on2 n ASP 49 Cb 0.19 -0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 1on2 n ASP 49 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1on2 n GLU 50 N 0.33 -2.43 0.03 -1.24 1.02 -0.79 -4.92 120.64 112.65 1on2 n GLU 50 Ca 0.14 0.65 0.11 0.00 -0.02 0.00 0.00 57.16 58.04 1on2 n GLU 50 Cb 0.30 -4.92 0.01 0.00 -0.02 0.00 0.00 31.44 26.81 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 -4.07 0.26 -3.82 -0.32 4.02 -0.07 -4.56 117.16 108.61 1on2 n TYR 51 Ca -0.12 0.08 -0.06 0.00 -0.01 0.00 0.00 57.90 57.79 1on2 n TYR 51 Cb 0.60 -0.44 -0.01 0.00 -0.02 0.00 0.00 39.34 39.47 1on2 n TYR 51 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1on2 s LEU 52 N -3.97 -0.16 0.09 7.72 0.05 -1.22 -1.85 118.68 119.34 1on2 s LEU 52 Ca 0.03 -0.66 -0.14 0.00 0.05 0.00 0.00 54.13 53.41 1on2 s LEU 52 Cb 0.14 2.54 0.02 0.00 -2.05 0.00 0.00 46.19 46.84 1on2 s LEU 52 CO 0.81 -1.26 0.32 0.27 -0.55 0.00 0.00 176.35 175.94 1on2 s ILE 53 N -3.28 0.09 -0.16 1.48 -4.36 0.22 -4.33 121.20 110.86 1on2 s ILE 53 Ca 0.13 -0.75 -0.14 0.00 -0.26 0.00 0.00 60.65 59.63 1on2 s ILE 53 Cb -0.04 -1.16 -0.05 0.00 1.25 0.00 0.00 42.46 42.47 1on2 s ILE 53 CO 0.06 -0.42 0.31 -0.31 0.24 0.00 0.00 174.94 174.83 1on2 s TYR 54 N -3.48 3.45 -0.13 1.37 2.02 -1.26 -1.31 117.35 118.02 1on2 s TYR 54 Ca 0.01 0.61 -0.01 0.00 -0.37 0.00 0.00 57.07 57.31 1on2 s TYR 54 Cb 0.02 -2.37 -0.02 0.00 -0.40 0.00 0.00 41.96 39.19 1on2 s TYR 54 CO -0.09 0.21 -0.09 -2.00 -1.57 0.00 0.00 175.55 172.00 1on2 s GLU 55 N 0.57 3.37 0.05 -0.62 2.56 0.17 -4.96 118.70 119.83 1on2 s GLU 55 Ca 0.17 -0.62 -0.08 0.00 0.00 0.00 0.00 54.97 54.45 1on2 s GLU 55 Cb -0.13 -2.71 0.01 0.00 2.00 0.00 0.00 34.13 33.30 1on2 s GLU 55 CO 0.05 0.29 0.45 1.63 -0.56 0.00 0.00 175.26 177.12 1on2 n LYS 56 N 3.33 -0.11 -0.09 4.30 5.02 -1.26 -0.18 118.16 129.17 1on2 n LYS 56 Ca -0.18 0.44 -0.12 0.00 -2.02 0.00 0.00 58.31 56.43 1on2 n LYS 56 Cb 0.53 -0.65 -0.08 0.00 -0.02 0.00 0.00 35.03 34.80 1on2 n LYS 56 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1on2 n TYR 57 N -4.39 0.00 0.24 2.13 0.53 -1.26 -4.55 117.16 109.86 1on2 n TYR 57 Ca 0.01 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.97 1on2 n TYR 57 Cb 0.09 -0.67 0.57 0.00 -1.03 0.00 0.00 39.34 38.30 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 2.47 -1.97 -3.48 114.38 110.68 1on2 h ARG 58 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1on2 h ARG 58 Cb 1.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.93 1on2 h ARG 58 CO -0.06 0.15 0.00 0.41 0.56 0.00 0.00 179.97 181.03 1on2 n GLY 59 N -1.01 0.79 3.66 0.04 0.00 0.74 -4.73 105.19 104.68 1on2 n GLY 59 Ca -0.02 -0.86 -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 4.20 -0.04 0.99 0.20 -1.26 0.42 118.68 123.19 1on2 s LEU 60 Ca 0.00 1.71 0.02 0.00 0.69 0.00 0.00 54.13 56.55 1on2 s LEU 60 Cb 0.00 -3.54 0.01 0.00 -0.43 0.00 0.00 46.19 42.23 1on2 s LEU 60 CO 0.00 -0.73 -0.10 -0.69 -0.29 0.00 0.00 176.35 174.54 1on2 s VAL 61 N 3.26 0.90 0.30 1.68 1.01 -0.43 -4.42 120.40 122.70 1on2 s VAL 61 Ca 0.55 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 1on2 s VAL 61 Cb -0.22 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 1on2 s VAL 61 CO 0.16 0.29 1.00 -0.76 0.00 0.00 0.00 175.10 175.78 1on2 s LEU 62 N 0.43 4.45 0.93 3.92 1.43 -1.26 -0.61 118.68 127.97 1on2 s LEU 62 Ca -0.08 2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 54.88 1on2 s LEU 62 Cb -0.12 -3.83 0.16 0.00 0.03 0.00 0.00 46.19 42.44 1on2 s LEU 62 CO 0.01 -0.09 1.23 0.42 0.23 0.00 0.00 176.35 178.16 1on2 s THR 63 N -1.38 1.96 0.25 5.49 -4.23 -0.77 -4.71 115.64 112.25 1on2 s THR 63 Ca 0.47 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.94 1on2 s THR 63 Cb -0.25 -2.91 0.25 0.00 1.34 0.00 0.00 72.50 70.93 1on2 s THR 63 CO 0.31 0.00 1.88 -1.28 -0.54 0.00 0.00 174.62 174.99 1on2 h SER 64 N -1.55 0.98 -0.44 3.99 0.87 -1.89 -0.11 113.55 115.40 1on2 h SER 64 Ca -0.46 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1on2 h SER 64 Cb 1.28 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1on2 h SER 64 CO 0.49 0.64 0.25 0.50 -0.53 0.00 0.00 176.83 178.18 1on2 h LYS 65 N 1.13 0.61 -0.73 2.24 3.64 -1.89 -1.94 116.57 119.62 1on2 h LYS 65 Ca 0.41 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1on2 h LYS 65 Cb 0.13 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1on2 h LYS 65 CO -0.16 0.48 0.36 0.78 -2.27 0.00 0.00 179.45 178.64 1on2 h GLY 66 N 0.58 1.12 1.13 5.01 0.00 -1.35 -2.16 103.07 107.41 1on2 h GLY 66 Ca 0.16 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 1on2 h GLY 66 CO -0.03 0.52 -0.25 0.50 0.00 0.00 0.00 176.54 177.29 1on2 h LYS 67 N 1.02 0.98 -0.21 4.80 1.57 -0.87 0.12 116.57 123.99 1on2 h LYS 67 Ca 0.25 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1on2 h LYS 67 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1on2 h LYS 67 CO -0.03 1.11 0.06 0.87 -0.57 0.00 0.00 179.45 180.88 1on2 h LYS 68 N 0.84 0.33 -0.16 3.15 1.57 -1.23 -1.20 116.57 119.87 1on2 h LYS 68 Ca 0.10 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1on2 h LYS 68 Cb 0.83 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1on2 h LYS 68 CO 0.07 0.44 -0.08 0.82 -0.57 0.00 0.00 179.45 180.13 1on2 h ILE 69 N 0.16 1.31 -0.62 1.86 2.04 -1.41 -2.91 117.51 117.95 1on2 h ILE 69 Ca 0.07 -1.14 0.13 0.00 1.00 0.00 0.00 64.86 64.92 1on2 h ILE 69 Cb 0.25 1.72 -0.11 0.00 -0.74 0.00 0.00 36.82 37.94 1on2 h ILE 69 CO -0.00 0.34 0.00 1.23 0.00 0.00 0.00 178.15 179.72 1on2 h GLY 70 N 0.02 0.66 1.46 5.37 0.00 -0.67 0.62 103.07 110.53 1on2 h GLY 70 Ca 0.04 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 1on2 h GLY 70 CO 0.02 -0.20 0.03 1.70 0.00 0.00 0.00 176.54 178.09 1on2 h LYS 71 N 0.12 0.67 0.00 4.80 1.63 -1.21 -2.39 116.57 120.19 1on2 h LYS 71 Ca 0.33 -0.15 -0.09 0.00 -0.85 0.00 0.00 60.65 59.89 1on2 h LYS 71 Cb 0.53 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1on2 h LYS 71 CO -0.54 0.66 -0.42 0.00 -3.45 0.00 0.00 179.45 175.71 1on2 h ARG 72 N 0.64 0.00 -0.08 1.90 2.47 -0.77 -1.39 114.38 117.15 1on2 h ARG 72 Ca 0.13 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.65 1on2 h ARG 72 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1on2 h ARG 72 CO 0.01 0.42 -0.78 -0.07 0.56 0.00 0.00 179.97 180.11 1on2 h LEU 73 N 0.00 0.60 -0.43 3.04 3.38 -0.49 -1.24 115.31 120.16 1on2 h LEU 73 Ca -0.00 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.45 1on2 h LEU 73 Cb 1.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1on2 h LEU 73 CO 0.05 1.17 -0.14 0.58 0.09 0.00 0.00 178.44 180.19 1on2 h VAL 74 N 0.33 1.27 -0.31 1.22 2.07 -1.33 -1.73 116.25 117.77 1on2 h VAL 74 Ca -0.05 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.26 1on2 h VAL 74 Cb 1.38 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 1on2 h VAL 74 CO 0.14 0.43 -0.01 0.22 0.02 0.00 0.00 177.57 178.38 1on2 h TYR 75 N 0.69 -0.03 -0.25 1.57 3.20 -1.09 -0.66 116.97 120.40 1on2 h TYR 75 Ca 0.10 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1on2 h TYR 75 Cb 0.69 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1on2 h TYR 75 CO 0.05 -0.06 0.16 -0.09 -1.64 0.00 0.00 178.16 176.59 1on2 h ARG 76 N 0.08 0.33 0.23 1.82 2.43 -1.06 0.78 114.38 119.00 1on2 h ARG 76 Ca 0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1on2 h ARG 76 Cb 0.20 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1on2 h ARG 76 CO -0.26 0.22 -0.21 1.25 -1.51 0.00 0.00 179.97 179.46 1on2 h HIS 77 N 0.34 -0.56 -0.32 2.20 2.76 -0.94 -1.39 115.15 117.25 1on2 h HIS 77 Ca 0.09 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1on2 h HIS 77 Cb -0.03 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1on2 h HIS 77 CO -0.06 -0.32 0.04 0.93 -1.30 0.00 0.00 177.93 177.22 1on2 h GLU 78 N -0.47 0.47 -0.14 5.26 5.08 -0.94 -1.84 114.58 122.01 1on2 h GLU 78 Ca -0.01 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1on2 h GLU 78 Cb 0.43 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1on2 h GLU 78 CO -0.04 0.47 0.01 1.25 -1.00 0.00 0.00 179.01 179.70 1on2 h LEU 79 N 0.46 0.23 -1.14 1.33 5.85 -0.54 -1.62 115.31 119.88 1on2 h LEU 79 Ca 0.11 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1on2 h LEU 79 Cb 0.24 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1on2 h LEU 79 CO 0.00 0.46 0.58 -0.07 -0.34 0.00 0.00 178.44 179.08 1on2 h LEU 80 N -0.01 0.98 -0.40 2.25 3.38 -0.96 0.30 115.31 120.85 1on2 h LEU 80 Ca 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1on2 h LEU 80 Cb 0.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1on2 h LEU 80 CO 0.01 0.69 0.14 -0.33 0.09 0.00 0.00 178.44 179.03 1on2 h GLU 81 N 1.15 0.60 -0.61 1.13 5.08 -1.18 -1.46 114.58 119.29 1on2 h GLU 81 Ca 0.34 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1on2 h GLU 81 Cb -0.04 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1on2 h GLU 81 CO -0.09 0.59 0.19 0.37 -1.00 0.00 0.00 179.01 179.07 1on2 h GLN 82 N 0.49 0.91 0.41 2.33 4.15 -0.48 -0.95 115.11 121.97 1on2 h GLN 82 Ca 0.13 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1on2 h GLN 82 Cb 0.22 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1on2 h GLN 82 CO -0.01 0.79 -0.19 0.35 -1.93 0.00 0.00 178.83 177.84 1on2 h PHE 83 N 0.89 -0.51 -0.73 3.99 3.57 -0.15 -0.20 116.94 123.80 1on2 h PHE 83 Ca 0.20 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1on2 h PHE 83 Cb 0.26 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1on2 h PHE 83 CO 0.02 -0.24 0.47 -0.07 -2.23 0.00 0.00 178.31 176.26 1on2 h LEU 84 N -0.69 0.85 -0.50 0.59 3.38 -1.15 -1.88 115.31 115.91 1on2 h LEU 84 Ca -0.06 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1on2 h LEU 84 Cb 0.50 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1on2 h LEU 84 CO 0.09 0.63 0.02 -0.09 0.09 0.00 0.00 178.44 179.18 1on2 h ARG 85 N 1.00 0.87 -0.62 1.13 2.43 -1.04 -1.33 114.38 116.82 1on2 h ARG 85 Ca 0.27 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1on2 h ARG 85 Cb -0.10 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1on2 h ARG 85 CO -0.06 0.90 0.29 0.82 -1.51 0.00 0.00 179.97 180.41 1on2 h ILE 86 N 0.74 1.21 -0.13 1.20 2.04 -0.41 -2.36 117.51 119.80 1on2 h ILE 86 Ca 0.14 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1on2 h ILE 86 Cb 0.49 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1on2 h ILE 86 CO 0.02 0.25 0.00 2.30 0.00 0.00 0.00 178.15 180.72 1on2 n ILE 87 N -4.34 0.17 -0.27 -0.67 -5.35 -0.76 -4.93 119.36 103.20 1on2 n ILE 87 Ca 0.06 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1on2 n ILE 87 Cb 0.14 0.17 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 1.01 0.86 3.76 3.28 0.00 -0.89 -5.03 105.19 108.18 1on2 n GLY 88 Ca 0.14 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 2.72 0.18 1.61 1.01 -0.52 -4.92 120.40 118.48 1on2 s VAL 89 Ca 0.00 0.65 -0.33 0.00 0.00 0.00 0.00 61.98 62.30 1on2 s VAL 89 Cb 0.00 -3.41 -0.14 0.00 0.00 0.00 0.00 36.38 32.83 1on2 s VAL 89 CO 0.00 0.13 1.55 0.47 0.00 0.00 0.00 175.10 177.24 1on2 n ASP 90 N 1.67 3.06 -0.29 3.32 10.43 -1.26 -4.68 116.55 128.80 1on2 n ASP 90 Ca 0.04 1.10 0.11 0.00 2.57 0.00 0.00 54.79 58.60 1on2 n ASP 90 Cb 0.41 -1.43 0.27 0.00 1.84 0.00 0.00 41.12 42.21 1on2 n ASP 90 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 1on2 h GLU 91 N 5.55 0.42 0.00 -1.24 4.39 -1.97 -0.37 114.58 121.35 1on2 h GLU 91 Ca -0.45 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1on2 h GLU 91 Cb 1.26 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1on2 h GLU 91 CO 0.86 0.28 0.00 0.93 -1.16 0.00 0.00 179.01 179.92 1on2 h GLU 92 N 0.43 0.00 0.00 2.33 4.39 -2.03 -2.71 114.58 116.98 1on2 h GLU 92 Ca 0.52 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.98 1on2 h GLU 92 Cb 0.92 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.52 1on2 h GLU 92 CO -0.49 0.00 -1.90 1.63 -1.16 0.00 0.00 179.01 177.09 1on2 n LYS 93 N -2.74 0.65 -0.07 2.33 4.76 -0.16 -4.69 118.16 118.25 1on2 n LYS 93 Ca -0.02 0.09 -0.07 0.00 -2.87 0.00 0.00 58.31 55.44 1on2 n LYS 93 Cb 0.08 -1.66 -0.01 0.00 -1.84 0.00 0.00 35.03 31.60 1on2 n LYS 93 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1on2 h ILE 94 N 0.00 0.45 -0.73 -0.18 2.04 -1.39 -2.39 117.51 115.31 1on2 h ILE 94 Ca -0.30 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1on2 h ILE 94 Cb 1.82 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1on2 h ILE 94 CO 0.04 0.00 0.48 0.22 0.00 0.00 0.00 178.15 178.89 1on2 h TYR 95 N -0.18 0.92 -0.65 1.37 3.20 -1.84 0.40 116.97 120.19 1on2 h TYR 95 Ca 0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1on2 h TYR 95 Cb 0.41 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1on2 h TYR 95 CO -0.38 0.58 0.34 -0.91 -1.64 0.00 0.00 178.16 176.14 1on2 h ASN 96 N 0.99 0.82 -0.24 -2.11 -0.26 -1.82 -1.06 115.58 111.89 1on2 h ASN 96 Ca 0.27 -0.11 -0.05 0.00 -0.56 0.00 0.00 56.30 55.85 1on2 h ASN 96 Cb -0.11 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 36.93 1on2 h ASN 96 CO -0.06 0.69 -0.05 0.44 -1.06 0.00 0.00 177.43 177.39 1on2 h ASP 97 N 0.88 0.46 -0.25 5.81 3.32 -0.96 -2.08 116.42 123.61 1on2 h ASP 97 Ca 0.23 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1on2 h ASP 97 Cb 0.07 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1on2 h ASP 97 CO -0.03 0.71 0.09 0.58 -1.72 0.00 0.00 179.24 178.87 1on2 h VAL 98 N 0.20 0.95 0.00 -1.35 2.07 -0.74 -1.87 116.25 115.51 1on2 h VAL 98 Ca 0.06 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1on2 h VAL 98 Cb 0.51 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1on2 h VAL 98 CO 0.02 0.04 -0.19 -0.33 0.02 0.00 0.00 177.57 177.13 1on2 h GLU 99 N 0.21 0.00 0.00 1.57 5.08 -1.18 0.54 114.58 120.79 1on2 h GLU 99 Ca 0.11 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1on2 h GLU 99 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1on2 h GLU 99 CO -0.10 0.19 -0.41 0.78 -1.00 0.00 0.00 179.01 178.47 1on2 h GLY 100 N 0.62 0.00 0.00 -3.84 0.00 -0.66 -3.37 103.07 95.82 1on2 h GLY 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1on2 h GLY 100 CO 0.02 0.00 -0.68 0.29 0.00 0.00 0.00 176.54 176.18 1on2 n ILE 101 N -3.34 0.00 -0.13 2.60 -5.35 -0.77 -4.75 119.36 107.63 1on2 n ILE 101 Ca 0.01 -0.27 0.12 0.00 -0.27 0.00 0.00 62.75 62.34 1on2 n ILE 101 Cb 0.61 0.74 0.48 0.00 -1.74 0.00 0.00 39.64 39.73 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 -0.39 6.28 4.11 -1.06 -1.41 114.58 122.55 1on2 h GLU 102 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1on2 h GLU 102 Cb 0.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1on2 h GLU 102 CO 0.00 0.30 0.00 0.72 0.07 0.00 0.00 179.01 180.10 1on2 n HIS 103 N -4.48 0.52 -1.35 2.06 8.25 -1.26 -4.07 115.22 114.89 1on2 n HIS 103 Ca 0.11 -0.26 0.05 0.00 -0.26 0.00 0.00 57.72 57.37 1on2 n HIS 103 Cb 0.40 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.59 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 0.82 0.00 -4.85 4.41 8.25 -0.54 -4.83 115.22 118.49 1on2 n HIS 104 Ca 0.16 -0.57 -0.32 0.00 -0.26 0.00 0.00 57.72 56.73 1on2 n HIS 104 Cb 0.41 -0.10 -0.16 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.61 2.23 0.68 2.41 1.43 -1.18 -5.09 118.68 117.55 1on2 s LEU 105 Ca 0.17 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 1on2 s LEU 105 Cb 0.15 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1on2 s LEU 105 CO 0.02 0.12 1.18 -0.94 0.23 0.00 0.00 176.35 176.95 1on2 s SER 106 N 0.61 4.64 0.57 2.29 1.04 -1.26 -4.82 113.70 116.77 1on2 s SER 106 Ca -0.11 2.26 0.33 0.00 0.48 0.00 0.00 55.95 58.91 1on2 s SER 106 Cb -0.16 -2.58 1.75 0.00 0.10 0.00 0.00 66.02 65.12 1on2 s SER 106 CO 0.03 -1.96 2.17 -0.50 0.98 0.00 0.00 173.24 173.96 1on2 h TRP 107 N 0.02 0.00 -0.37 5.02 4.06 -1.99 -0.44 115.95 122.26 1on2 h TRP 107 Ca -0.48 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.41 1on2 h TRP 107 Cb 1.28 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.43 1on2 h TRP 107 CO 0.49 0.05 -0.02 -0.97 -3.56 0.00 0.00 178.44 174.44 1on2 h ASN 108 N 0.00 0.65 -0.57 -3.49 -1.24 -1.99 0.17 115.58 109.12 1on2 h ASN 108 Ca -0.00 -0.32 -0.08 0.00 0.71 0.00 0.00 56.30 56.61 1on2 h ASN 108 Cb 0.22 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 1on2 h ASN 108 CO 0.01 0.81 0.07 0.28 -1.29 0.00 0.00 177.43 177.30 1on2 h SER 109 N 0.47 0.95 -0.64 1.15 0.02 -1.48 -1.14 113.55 112.87 1on2 h SER 109 Ca 0.10 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1on2 h SER 109 Cb 0.49 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1on2 h SER 109 CO 0.02 0.97 0.30 0.40 -1.14 0.00 0.00 176.83 177.38 1on2 h ILE 110 N 0.92 1.22 -0.30 3.27 1.08 -0.90 0.08 117.51 122.89 1on2 h ILE 110 Ca 0.18 -0.64 0.01 0.00 -0.39 0.00 0.00 64.86 64.02 1on2 h ILE 110 Cb 0.44 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1on2 h ILE 110 CO 0.02 0.26 0.17 0.44 -0.69 0.00 0.00 178.15 178.35 1on2 h ASP 111 N 0.89 0.27 -0.15 1.72 3.32 -0.16 -0.93 116.42 121.37 1on2 h ASP 111 Ca 0.22 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 1on2 h ASP 111 Cb 0.13 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1on2 h ASP 111 CO -0.03 0.20 -0.21 0.03 -1.72 0.00 0.00 179.24 177.51 1on2 h ARG 112 N 0.35 0.58 -0.28 3.56 -0.00 -0.94 -2.31 114.38 115.35 1on2 h ARG 112 Ca 0.12 -0.21 -0.08 0.00 -0.50 0.00 0.00 59.98 59.31 1on2 h ARG 112 Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 29.92 1on2 h ARG 112 CO -0.06 0.75 -0.15 0.82 0.00 0.00 0.00 179.97 181.33 1on2 h ILE 113 N 0.52 1.24 -0.68 2.04 2.04 -0.54 -1.33 117.51 120.79 1on2 h ILE 113 Ca 0.08 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1on2 h ILE 113 Cb 0.65 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1on2 h ILE 113 CO 0.05 0.35 0.27 1.23 0.00 0.00 0.00 178.15 180.04 1on2 h GLY 114 N 0.94 1.08 1.83 5.37 0.00 -0.63 -0.22 103.07 111.44 1on2 h GLY 114 Ca 0.08 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 1on2 h GLY 114 CO 0.03 0.54 -0.52 -0.55 0.00 0.00 0.00 176.54 176.04 1on2 h ASP 115 N 0.99 0.20 -0.31 0.19 3.32 -1.07 -1.94 116.42 117.81 1on2 h ASP 115 Ca 0.23 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 1on2 h ASP 115 Cb 0.20 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1on2 h ASP 115 CO -0.02 0.69 -0.24 0.25 -1.72 0.00 0.00 179.24 178.20 1on2 h LEU 116 N 0.15 0.75 -0.82 1.55 5.85 -0.66 -1.36 115.31 120.77 1on2 h LEU 116 Ca 0.00 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1on2 h LEU 116 Cb 0.97 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1on2 h LEU 116 CO 0.08 1.04 0.06 0.58 -0.34 0.00 0.00 178.44 179.86 1on2 h VAL 117 N 0.47 1.25 -0.41 1.05 2.07 -0.89 -2.38 116.25 117.41 1on2 h VAL 117 Ca 0.06 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 1on2 h VAL 117 Cb 0.80 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1on2 h VAL 117 CO 0.06 0.37 -0.11 -0.61 0.02 0.00 0.00 177.57 177.30 1on2 h GLN 118 N 0.89 0.73 -0.34 1.57 4.15 -1.27 -1.42 115.11 119.42 1on2 h GLN 118 Ca 0.18 -0.24 0.06 0.00 0.77 0.00 0.00 58.65 59.42 1on2 h GLN 118 Cb 0.43 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.01 1on2 h GLN 118 CO 0.01 0.82 -0.00 -0.92 -1.93 0.00 0.00 178.83 176.81 1on2 h TYR 119 N 0.66 -0.03 0.00 3.99 3.20 -0.73 -2.02 116.97 122.05 1on2 h TYR 119 Ca 0.11 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1on2 h TYR 119 Cb 0.57 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1on2 h TYR 119 CO 0.03 -0.07 -0.41 0.74 -1.64 0.00 0.00 178.16 176.81 1on2 h PHE 120 N 0.09 0.00 -0.23 -3.82 -1.00 -1.35 -3.30 116.94 107.33 1on2 h PHE 120 Ca 0.16 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.83 1on2 h PHE 120 Cb 0.23 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1on2 h PHE 120 CO -0.24 0.41 -0.33 0.93 -1.61 0.00 0.00 178.31 177.46 1on2 h GLU 121 N 0.00 0.47 -0.01 1.51 4.39 -0.58 -3.20 114.58 117.16 1on2 h GLU 121 Ca -0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1on2 h GLU 121 Cb 1.23 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1on2 h GLU 121 CO 0.05 0.75 0.00 -0.85 -1.16 0.00 0.00 179.01 177.80 1on2 n GLU 122 N -4.07 1.29 -3.15 2.33 0.28 -0.82 -4.69 120.64 111.81 1on2 n GLU 122 Ca -0.01 -0.42 0.04 0.00 -0.16 0.00 0.00 57.16 56.61 1on2 n GLU 122 Cb 0.46 -1.48 -0.00 0.00 1.43 0.00 0.00 31.44 31.84 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 -1.97 -1.46 0.59 -1.84 -1.08 -1.21 -5.02 116.67 104.69 1on2 s ASP 123 Ca 0.43 0.24 0.30 0.00 -0.52 0.00 0.00 52.55 52.99 1on2 s ASP 123 Cb 0.21 1.96 1.75 0.00 -1.46 0.00 0.00 42.92 45.38 1on2 s ASP 123 CO 0.35 -0.27 2.17 0.44 0.52 0.00 0.00 175.17 178.38 1on2 h ASP 124 N 7.92 0.00 0.01 -0.34 3.32 -1.84 -0.48 116.42 125.01 1on2 h ASP 124 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1on2 h ASP 124 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1on2 h ASP 124 CO 0.13 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1on2 h ALA 125 N 1.86 1.56 -0.08 3.45 0.00 -1.95 0.57 119.26 124.67 1on2 h ALA 125 Ca 0.05 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1on2 h ALA 125 Cb 0.27 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1on2 h ALA 125 CO -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 179.25 178.65 1on2 h ARG 126 N 0.00 0.55 -0.29 0.00 3.08 -1.41 -1.43 114.38 114.88 1on2 h ARG 126 Ca -0.00 -0.48 -0.07 0.00 0.07 0.00 0.00 59.98 59.50 1on2 h ARG 126 Cb 0.01 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1on2 h ARG 126 CO 0.00 1.11 -0.10 0.87 -1.07 0.00 0.00 179.97 180.78 1on2 h LYS 127 N 0.15 0.47 -0.35 0.04 1.57 -1.25 -0.74 116.57 116.46 1on2 h LYS 127 Ca -0.05 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.46 1on2 h LYS 127 Cb 1.26 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1on2 h LYS 127 CO 0.12 0.58 -0.35 0.87 -0.57 0.00 0.00 179.45 180.10 1on2 h LYS 128 N 0.44 0.85 -0.45 3.15 1.57 -0.88 0.24 116.57 121.49 1on2 h LYS 128 Ca 0.09 -0.45 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 1on2 h LYS 128 Cb 0.45 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1on2 h LYS 128 CO 0.03 1.09 -0.15 -0.44 -0.57 0.00 0.00 179.45 179.40 1on2 h ASP 129 N 0.65 0.86 -0.10 0.86 3.32 -0.95 -1.10 116.42 119.95 1on2 h ASP 129 Ca 0.06 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1on2 h ASP 129 Cb 0.94 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1on2 h ASP 129 CO 0.09 1.01 -0.01 0.25 -1.72 0.00 0.00 179.24 178.87 1on2 h LEU 130 N 0.76 0.19 -1.31 1.55 5.85 -1.03 -3.03 115.31 118.28 1on2 h LEU 130 Ca 0.12 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1on2 h LEU 130 Cb 0.68 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1on2 h LEU 130 CO 0.05 0.47 0.48 0.50 -0.34 0.00 0.00 178.44 179.59 1on2 h LYS 131 N -0.10 0.89 0.00 1.25 1.63 -0.81 -0.57 116.57 118.86 1on2 h LYS 131 Ca 0.03 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1on2 h LYS 131 Cb 0.37 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1on2 h LYS 131 CO 0.01 0.59 -0.02 0.77 -3.45 0.00 0.00 179.45 177.35 1on2 h SER 132 N 0.92 0.00 0.19 4.20 0.02 -1.09 -2.70 113.55 115.09 1on2 h SER 132 Ca 0.28 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.97 1on2 h SER 132 Cb -0.02 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.55 1on2 h SER 132 CO -0.07 0.02 -1.14 0.40 -1.14 0.00 0.00 176.83 174.90 1on2 h ILE 133 N 0.00 1.38 0.49 3.27 2.04 -1.00 -3.23 117.51 120.47 1on2 h ILE 133 Ca -0.00 -2.60 -0.02 0.00 1.00 0.00 0.00 64.86 63.24 1on2 h ILE 133 Cb 0.21 3.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1on2 h ILE 133 CO 0.00 0.76 -0.24 0.06 0.00 0.00 0.00 178.15 178.73 1on2 h GLN 134 N -0.15 -0.64 0.00 2.37 -0.00 -1.37 -3.02 115.11 112.30 1on2 h GLN 134 Ca -0.20 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 1on2 h GLN 134 Cb 1.88 0.15 0.00 0.00 -0.00 0.00 0.00 27.48 29.50 1on2 h GLN 134 CO 0.20 -0.33 0.00 0.87 -0.00 0.00 0.00 178.83 179.57 1on2 h LYS 135 N -0.98 0.00 0.00 0.06 1.79 -1.72 -3.52 116.57 112.20 1on2 h LYS 135 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1on2 h LYS 135 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1on2 h LYS 135 CO 0.11 0.00 0.00 1.17 -1.08 0.00 0.00 179.45 179.65