#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2spn s VAL 1 N 0.00 1.89 0.08 3.17 1.01 -1.26 -5.01 120.40 120.28 2spn s VAL 1 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 2spn s VAL 1 Cb 0.00 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 2spn s VAL 1 CO 0.00 0.53 0.46 -0.76 0.00 0.00 0.00 175.10 175.33 2spn s LEU 2 N -0.07 4.39 0.74 3.92 1.02 -1.26 -5.08 118.68 122.34 2spn s LEU 2 Ca -0.05 0.95 -0.11 0.00 0.02 0.00 0.00 54.13 54.95 2spn s LEU 2 Cb -0.13 -2.98 0.04 0.00 0.02 0.00 0.00 46.19 43.13 2spn s LEU 2 CO 0.04 0.19 1.08 -0.94 0.02 0.00 0.00 176.35 176.74 2spn s SER 3 N -1.55 5.01 0.42 2.29 1.04 -1.26 -4.88 113.70 114.77 2spn s SER 3 Ca 0.32 1.37 0.10 0.00 0.48 0.00 0.00 55.95 58.22 2spn s SER 3 Cb -0.15 -2.17 0.90 0.00 0.10 0.00 0.00 66.02 64.70 2spn s SER 3 CO 0.17 -1.65 2.01 -0.08 0.98 0.00 0.00 173.24 174.67 2spn h GLU 4 N -0.86 0.29 -0.14 4.02 4.57 -1.99 -1.48 114.58 118.99 2spn h GLU 4 Ca -0.46 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 2spn h GLU 4 Cb 1.24 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 2spn h GLU 4 CO 0.60 0.30 -0.33 0.78 -1.18 0.00 0.00 179.01 179.17 2spn h GLY 5 N 0.52 0.31 0.98 1.92 0.00 -1.98 0.06 103.07 104.88 2spn h GLY 5 Ca 0.07 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 2spn h GLY 5 CO 0.00 0.24 -0.52 0.83 0.00 0.00 0.00 176.54 177.09 2spn h GLU 6 N 0.25 0.64 -1.00 4.80 5.08 -1.72 -2.48 114.58 120.15 2spn h GLU 6 Ca 0.03 -0.47 0.03 0.00 -1.00 0.00 0.00 59.36 57.95 2spn h GLU 6 Cb 0.71 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 2spn h GLU 6 CO 0.05 1.09 0.66 -1.49 -1.00 0.00 0.00 179.01 178.32 2spn h TRP 7 N 0.31 1.23 -0.13 4.33 4.06 -0.98 -1.95 115.95 122.82 2spn h TRP 7 Ca -0.02 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2spn h TRP 7 Cb 1.15 -0.41 0.00 0.00 -1.00 0.00 0.00 29.16 28.89 2spn h TRP 7 CO 0.10 0.73 0.00 1.04 -3.56 0.00 0.00 178.44 176.75 2spn n GLN 8 N -4.42 1.51 -0.07 0.49 1.13 -0.02 -0.47 117.38 115.53 2spn n GLN 8 Ca 0.13 -0.55 -0.22 0.00 -1.94 0.00 0.00 57.00 54.42 2spn n GLN 8 Cb 0.07 -1.34 -0.12 0.00 0.11 0.00 0.00 30.24 28.96 2spn n GLN 8 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2spn n LEU 9 N 0.00 2.47 0.28 1.08 4.77 -0.80 -2.93 117.00 121.86 2spn n LEU 9 Ca 0.05 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 56.05 2spn n LEU 9 Cb 0.25 -0.99 -0.08 0.00 -2.33 0.00 0.00 43.42 40.27 2spn n LEU 9 CO 0.05 0.72 0.71 0.58 -1.33 0.00 0.00 177.39 178.11 2spn h VAL 10 N -0.33 0.53 0.00 4.08 2.07 -0.88 -2.79 116.25 118.93 2spn h VAL 10 Ca -0.49 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2spn h VAL 10 Cb 1.79 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2spn h VAL 10 CO -0.10 0.00 -0.08 -0.07 0.02 0.00 0.00 177.57 177.34 2spn h LEU 11 N -0.65 0.00 -0.05 2.57 3.38 -0.90 -0.24 115.31 119.42 2spn h LEU 11 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2spn h LEU 11 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2spn h LEU 11 CO 0.11 0.08 -0.03 -0.74 0.09 0.00 0.00 178.44 177.95 2spn h HIS 12 N 0.00 0.13 -0.22 1.13 2.76 -1.40 -1.57 115.15 115.97 2spn h HIS 12 Ca -0.00 -0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 57.99 2spn h HIS 12 Cb 0.62 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2spn h HIS 12 CO 0.00 0.53 -0.46 0.28 -1.30 0.00 0.00 177.93 176.98 2spn h VAL 13 N -0.31 1.31 -0.54 5.26 2.07 -1.41 -3.11 116.25 119.52 2spn h VAL 13 Ca 0.01 -1.66 0.02 0.00 0.82 0.00 0.00 66.70 65.90 2spn h VAL 13 Cb 0.51 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2spn h VAL 13 CO 0.01 0.52 0.35 -0.25 0.02 0.00 0.00 177.57 178.22 2spn h TRP 14 N 0.45 0.62 -0.01 1.57 2.91 -0.86 -0.88 115.95 119.76 2spn h TRP 14 Ca 0.03 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 2spn h TRP 14 Cb 0.98 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 29.42 2spn h TRP 14 CO 0.04 0.37 -0.02 0.00 -1.03 0.00 0.00 178.44 177.80 2spn h ALA 15 N 1.68 1.96 0.01 2.65 0.00 -1.22 -0.12 119.26 124.23 2spn h ALA 15 Ca 0.21 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2spn h ALA 15 Cb 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2spn h ALA 15 CO -0.05 0.03 -0.58 0.87 0.00 0.00 0.00 179.25 179.52 2spn h LYS 16 N 0.01 0.37 -0.61 0.00 1.79 -1.21 -3.08 116.57 113.83 2spn h LYS 16 Ca 0.00 -0.41 0.11 0.00 -2.18 0.00 0.00 60.65 58.16 2spn h LYS 16 Cb 0.04 0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.73 2spn h LYS 16 CO 0.00 1.10 0.19 0.28 -1.08 0.00 0.00 179.45 179.94 2spn h VAL 17 N -0.19 0.70 0.00 0.50 2.07 -0.69 -1.55 116.25 117.09 2spn h VAL 17 Ca -0.08 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2spn h VAL 17 Cb 1.31 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2spn h VAL 17 CO 0.11 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.14 2spn n GLU 18 N -5.06 0.02 0.20 1.57 1.02 -0.13 -1.49 120.64 116.77 2spn n GLU 18 Ca 0.09 0.35 0.06 0.00 -0.02 0.00 0.00 57.16 57.64 2spn n GLU 18 Cb 0.31 -1.50 0.39 0.00 -0.02 0.00 0.00 31.44 30.62 2spn n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2spn h ALA 19 N 2.22 1.08 -2.01 0.62 0.00 -1.26 -3.36 119.26 116.54 2spn h ALA 19 Ca 0.00 -0.31 -0.53 0.00 0.00 0.00 0.00 54.91 54.07 2spn h ALA 19 Cb 0.09 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 17.47 2spn h ALA 19 CO 0.00 0.43 -0.97 -3.47 0.00 0.00 0.00 179.25 175.25 2spn n ASP 20 N -3.63 -0.59 -0.18 0.00 2.03 -0.56 -5.01 116.55 108.62 2spn n ASP 20 Ca -0.01 -2.57 -0.08 0.00 0.52 0.00 0.00 54.79 52.65 2spn n ASP 20 Cb 0.46 -0.30 0.07 0.00 -0.72 0.00 0.00 41.12 40.63 2spn n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2spn h VAL 21 N 3.63 1.26 -0.40 5.18 2.07 -1.71 -1.75 116.25 124.52 2spn h VAL 21 Ca 0.16 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 2spn h VAL 21 Cb 0.92 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2spn h VAL 21 CO 0.37 0.41 -0.06 0.00 0.02 0.00 0.00 177.57 178.31 2spn h ALA 22 N 1.07 0.55 -0.43 1.67 0.00 -1.91 0.86 119.26 121.08 2spn h ALA 22 Ca 0.16 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2spn h ALA 22 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2spn h ALA 22 CO 0.03 0.39 0.27 0.78 0.00 0.00 0.00 179.25 180.72 2spn h GLY 23 N 0.58 0.60 1.34 0.00 0.00 -1.92 -1.53 103.07 102.14 2spn h GLY 23 Ca 0.11 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 2spn h GLY 23 CO 0.03 0.19 -0.15 0.45 0.00 0.00 0.00 176.54 177.06 2spn h HIS 24 N 0.54 0.86 -0.46 5.60 3.86 -0.98 -1.54 115.15 123.03 2spn h HIS 24 Ca 0.16 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2spn h HIS 24 Cb -0.02 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 2spn h HIS 24 CO -0.06 0.87 0.29 0.78 0.86 0.00 0.00 177.93 180.68 2spn h GLY 25 N 0.97 0.66 0.95 2.45 0.00 -0.55 -1.03 103.07 106.53 2spn h GLY 25 Ca 0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2spn h GLY 25 CO 0.05 0.25 0.01 1.46 0.00 0.00 0.00 176.54 178.31 2spn h GLN 26 N 0.62 0.01 -0.34 4.80 4.20 -1.09 -1.35 115.11 121.96 2spn h GLN 26 Ca 0.17 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.93 2spn h GLN 26 Cb -0.04 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 2spn h GLN 26 CO -0.03 0.06 0.07 -0.44 -0.67 0.00 0.00 178.83 177.81 2spn h ASP 27 N -0.03 0.01 -0.44 1.46 5.19 -0.89 -1.42 116.42 120.30 2spn h ASP 27 Ca 0.00 0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2spn h ASP 27 Cb 0.05 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 2spn h ASP 27 CO -0.00 0.04 0.29 0.40 -3.12 0.00 0.00 179.24 176.85 2spn h ILE 28 N 0.19 1.10 -0.12 0.35 2.04 -1.10 -2.04 117.51 117.93 2spn h ILE 28 Ca 0.16 -0.20 -0.15 0.00 1.00 0.00 0.00 64.86 65.67 2spn h ILE 28 Cb 0.18 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2spn h ILE 28 CO -0.21 0.11 -0.58 -0.26 0.00 0.00 0.00 178.15 177.21 2spn h PHE 29 N 0.58 0.48 -0.48 1.37 0.04 -0.95 -0.62 116.94 117.37 2spn h PHE 29 Ca 0.16 -0.18 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 2spn h PHE 29 Cb -0.05 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 2spn h PHE 29 CO -0.05 0.87 -0.01 0.82 -0.60 0.00 0.00 178.31 179.33 2spn h ILE 30 N 0.29 1.26 -0.40 -0.55 2.04 -1.25 0.26 117.51 119.16 2spn h ILE 30 Ca -0.00 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2spn h ILE 30 Cb 1.09 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2spn h ILE 30 CO 0.10 0.38 0.26 -0.09 0.00 0.00 0.00 178.15 178.80 2spn h ARG 31 N 0.71 0.53 -0.17 2.37 9.65 -1.21 0.38 114.38 126.62 2spn h ARG 31 Ca 0.13 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 2spn h ARG 31 Cb 0.53 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 2spn h ARG 31 CO 0.03 0.36 0.06 1.25 2.80 0.00 0.00 179.97 184.47 2spn h LEU 32 N 0.54 0.25 -1.11 3.80 5.85 -0.72 -1.03 115.31 122.88 2spn h LEU 32 Ca 0.15 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 2spn h LEU 32 Cb -0.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2spn h LEU 32 CO -0.03 0.36 -0.36 -0.26 -0.34 0.00 0.00 178.44 177.81 2spn h PHE 33 N 0.12 0.16 0.04 1.25 0.04 -0.16 0.17 116.94 118.55 2spn h PHE 33 Ca 0.06 -0.04 -0.16 0.00 2.80 0.00 0.00 57.97 60.63 2spn h PHE 33 Cb 0.20 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.32 2spn h PHE 33 CO -0.01 0.49 -0.65 0.87 -0.60 0.00 0.00 178.31 178.42 2spn h LYS 34 N 0.13 0.37 -0.09 1.51 1.57 -0.06 -3.09 116.57 116.91 2spn h LYS 34 Ca 0.01 -0.45 -0.14 0.00 -1.87 0.00 0.00 60.65 58.20 2spn h LYS 34 Cb 0.71 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2spn h LYS 34 CO 0.05 1.14 -0.56 0.77 -0.57 0.00 0.00 179.45 180.28 2spn h SER 35 N -0.20 0.31 -2.19 0.86 0.02 -1.04 -3.39 113.55 107.92 2spn h SER 35 Ca -0.09 -0.16 -0.55 0.00 -0.84 0.00 0.00 61.79 60.15 2spn h SER 35 Cb 1.40 -0.09 -0.36 0.00 0.14 0.00 0.00 62.40 63.49 2spn h SER 35 CO 0.13 0.80 -0.95 1.41 -1.14 0.00 0.00 176.83 177.08 2spn n HIS 36 N -3.91 -1.15 0.30 3.45 8.25 0.57 -4.99 115.22 117.74 2spn n HIS 36 Ca -0.02 -3.15 0.18 0.00 -0.26 0.00 0.00 57.72 54.46 2spn n HIS 36 Cb 0.59 0.32 0.99 0.00 1.12 0.00 0.00 29.99 33.01 2spn n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2spn h PRO 37 N 5.39 0.00 0.00 -0.41 0.13 -1.72 0.73 132.00 136.13 2spn h PRO 37 Ca 0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 2spn h PRO 37 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 2spn h PRO 37 CO 0.35 0.00 -0.07 1.05 -0.23 0.00 0.00 178.00 179.10 2spn h GLU 38 N 0.00 0.00 -0.02 0.86 9.09 -1.92 -1.80 114.58 120.80 2spn h GLU 38 Ca 0.01 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.35 2spn h GLU 38 Cb 0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 2spn h GLU 38 CO -0.00 0.07 -0.32 1.79 0.05 0.00 0.00 179.01 180.60 2spn h THR 39 N 0.00 1.24 -0.27 -1.06 1.35 -1.18 -2.34 112.91 110.64 2spn h THR 39 Ca -0.00 -1.12 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 2spn h THR 39 Cb 0.13 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 2spn h THR 39 CO 0.01 0.32 0.16 0.25 -0.25 0.00 0.00 175.52 176.01 2spn h LEU 40 N 0.03 0.32 -2.43 3.87 5.85 -1.48 -2.00 115.31 119.47 2spn h LEU 40 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2spn h LEU 40 Cb 0.58 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2spn h LEU 40 CO 0.04 0.26 0.02 -0.33 -0.34 0.00 0.00 178.44 178.09 2spn h GLU 41 N 0.37 0.00 0.00 1.25 5.08 -1.51 -1.35 114.58 118.42 2spn h GLU 41 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2spn h GLU 41 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2spn h GLU 41 CO -0.02 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.62 2spn n LYS 42 N -3.88 0.05 -3.60 2.33 4.76 -0.75 -4.51 118.16 112.56 2spn n LYS 42 Ca -0.03 0.14 -0.40 0.00 -2.87 0.00 0.00 58.31 55.15 2spn n LYS 42 Cb 0.10 -1.57 -0.10 0.00 -1.84 0.00 0.00 35.03 31.63 2spn n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2spn s PHE 43 N -3.04 3.38 0.48 2.13 0.40 -0.51 -4.92 117.98 115.91 2spn s PHE 43 Ca 0.11 -1.71 0.14 0.00 -0.60 0.00 0.00 56.93 54.87 2spn s PHE 43 Cb 0.14 -3.16 1.13 0.00 0.51 0.00 0.00 43.02 41.64 2spn s PHE 43 CO 0.45 -0.91 2.10 -0.44 0.70 0.00 0.00 175.22 177.11 2spn h ASP 44 N 8.40 0.18 0.46 1.36 5.19 -1.83 -0.65 116.42 129.53 2spn h ASP 44 Ca -0.22 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.09 2spn h ASP 44 Cb 1.08 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 2spn h ASP 44 CO 0.79 0.13 -0.48 -0.09 -3.12 0.00 0.00 179.24 176.46 2spn h ARG 45 N 0.21 0.03 0.00 3.56 2.43 -1.93 -3.33 114.38 115.35 2spn h ARG 45 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2spn h ARG 45 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2spn h ARG 45 CO -0.02 0.51 0.00 1.19 -1.51 0.00 0.00 179.97 180.14 2spn n PHE 46 N -3.96 0.00 0.10 2.20 3.72 -0.73 -4.76 117.46 114.03 2spn n PHE 46 Ca -0.02 -0.07 0.17 0.00 -0.05 0.00 0.00 57.45 57.48 2spn n PHE 46 Cb 0.51 -0.01 0.71 0.00 -0.94 0.00 0.00 39.48 39.75 2spn n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2spn h LYS 47 N 0.00 0.00 0.00 -1.08 1.57 -1.26 -1.68 116.57 114.12 2spn h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2spn h LYS 47 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2spn h LYS 47 CO 0.00 0.00 0.00 -2.39 -0.57 0.00 0.00 179.45 176.49 2spn n HIS 48 N -4.25 0.33 -1.96 -1.35 1.44 -1.26 -4.85 115.22 103.30 2spn n HIS 48 Ca 0.05 0.10 -0.42 0.00 -2.01 0.00 0.00 57.72 55.45 2spn n HIS 48 Cb 0.45 -0.67 -0.03 0.00 0.12 0.00 0.00 29.99 29.86 2spn n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2spn s LEU 49 N -3.55 4.37 -0.20 2.39 1.43 -0.63 -4.90 118.68 117.59 2spn s LEU 49 Ca 0.11 2.53 0.17 0.00 -1.03 0.00 0.00 54.13 55.92 2spn s LEU 49 Cb 0.15 -3.58 -0.24 0.00 0.03 0.00 0.00 46.19 42.54 2spn s LEU 49 CO 0.49 -0.82 0.06 0.29 0.23 0.00 0.00 176.35 176.59 2spn n LYS 50 N 4.47 0.74 -4.37 1.70 5.02 -1.26 -5.02 118.16 119.44 2spn n LYS 50 Ca 0.14 -0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.24 2spn n LYS 50 Cb 0.40 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 2spn n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2spn s THR 51 N -2.48 0.75 0.33 -0.18 -4.23 -1.26 -5.03 115.64 103.54 2spn s THR 51 Ca -0.11 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.49 2spn s THR 51 Cb 0.06 -2.67 0.07 0.00 1.34 0.00 0.00 72.50 71.29 2spn s THR 51 CO 0.81 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 176.57 2spn h GLU 52 N 2.26 0.15 -0.52 3.99 4.81 -1.99 -1.88 114.58 121.40 2spn h GLU 52 Ca -0.39 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 2spn h GLU 52 Cb 1.25 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 2spn h GLU 52 CO 0.63 0.51 0.33 0.00 -0.73 0.00 0.00 179.01 179.75 2spn h ALA 53 N 1.49 0.67 -0.23 2.92 0.00 -1.99 0.68 119.26 122.80 2spn h ALA 53 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2spn h ALA 53 Cb 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2spn h ALA 53 CO 0.05 0.06 -0.24 0.93 0.00 0.00 0.00 179.25 180.05 2spn h GLU 54 N 0.67 0.42 -0.54 0.00 5.08 -1.80 -1.46 114.58 116.94 2spn h GLU 54 Ca 0.20 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2spn h GLU 54 Cb -0.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2spn h GLU 54 CO -0.07 0.64 0.12 0.52 -1.00 0.00 0.00 179.01 179.23 2spn h MET 55 N 0.38 0.86 -0.14 2.33 2.86 -0.68 -1.94 114.93 118.60 2spn h MET 55 Ca 0.06 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 2spn h MET 55 Cb 0.63 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2spn h MET 55 CO 0.05 0.82 -0.22 0.87 1.06 0.00 0.00 176.91 179.48 2spn h LYS 56 N 0.76 0.23 0.00 1.72 1.57 -0.66 -2.61 116.57 117.59 2spn h LYS 56 Ca 0.17 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2spn h LYS 56 Cb 0.35 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2spn h LYS 56 CO 0.00 0.45 -0.26 0.00 -0.57 0.00 0.00 179.45 179.08 2spn n ALA 57 N -2.48 2.66 -2.50 3.86 0.00 -0.57 -4.83 120.51 116.65 2spn n ALA 57 Ca -0.01 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2spn n ALA 57 Cb 0.34 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 2spn n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2spn s SER 58 N -3.93 6.99 0.14 0.00 0.15 -0.77 -4.89 113.70 111.40 2spn s SER 58 Ca 0.10 1.59 0.08 0.00 0.70 0.00 0.00 55.95 58.42 2spn s SER 58 Cb 0.15 -2.54 -0.15 0.00 -1.71 0.00 0.00 66.02 61.77 2spn s SER 58 CO 0.64 -0.73 1.32 -0.08 1.20 0.00 0.00 173.24 175.58 2spn h GLU 59 N 7.96 0.00 -0.42 5.44 4.57 -1.88 -2.68 114.58 127.57 2spn h GLU 59 Ca -0.24 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 2spn h GLU 59 Cb 1.09 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 2spn h GLU 59 CO 0.97 0.94 0.20 -0.44 -1.18 0.00 0.00 179.01 179.50 2spn h ASP 60 N 0.00 0.56 -0.68 1.04 5.19 -1.96 -1.22 116.42 119.35 2spn h ASP 60 Ca -0.01 -0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.22 2spn h ASP 60 Cb 1.69 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 41.03 2spn h ASP 60 CO 0.12 0.53 0.24 0.25 -3.12 0.00 0.00 179.24 177.26 2spn h LEU 61 N 0.54 0.97 -0.52 1.55 5.85 -1.87 -1.60 115.31 120.23 2spn h LEU 61 Ca 0.14 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2spn h LEU 61 Cb 0.13 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2spn h LEU 61 CO -0.02 0.90 0.27 0.50 -0.34 0.00 0.00 178.44 179.75 2spn h LYS 62 N 0.98 0.50 -0.77 1.25 3.64 -1.28 -0.70 116.57 120.19 2spn h LYS 62 Ca 0.22 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2spn h LYS 62 Cb 0.26 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2spn h LYS 62 CO -0.01 0.33 0.39 0.87 -2.27 0.00 0.00 179.45 178.76 2spn h LYS 63 N 0.52 1.11 -0.66 1.90 1.57 -0.96 -2.46 116.57 117.59 2spn h LYS 63 Ca 0.23 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2spn h LYS 63 Cb 0.14 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2spn h LYS 63 CO -0.16 0.85 0.24 1.25 -0.57 0.00 0.00 179.45 181.06 2spn h HIS 64 N 1.09 1.03 -0.91 -1.35 2.76 -0.99 -2.22 115.15 114.56 2spn h HIS 64 Ca 0.27 -0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2spn h HIS 64 Cb 0.10 -0.31 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 2spn h HIS 64 CO 0.01 0.82 0.60 0.78 -1.30 0.00 0.00 177.93 178.84 2spn h GLY 65 N 0.95 1.28 0.90 5.26 0.00 -0.87 -0.41 103.07 110.18 2spn h GLY 65 Ca 0.22 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2spn h GLY 65 CO -0.01 0.45 0.09 -2.08 0.00 0.00 0.00 176.54 174.99 2spn h VAL 66 N 1.22 1.20 -0.37 4.60 2.07 -1.18 -0.46 116.25 123.33 2spn h VAL 66 Ca 0.34 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.26 2spn h VAL 66 Cb -0.12 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2spn h VAL 66 CO -0.08 0.21 0.18 0.74 0.02 0.00 0.00 177.57 178.64 2spn h THR 67 N 0.29 0.98 0.74 2.57 2.02 -0.73 -0.43 112.91 118.35 2spn h THR 67 Ca 0.09 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2spn h THR 67 Cb 0.23 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2spn h THR 67 CO -0.00 0.07 -0.47 0.58 0.37 0.00 0.00 175.52 176.07 2spn h VAL 68 N 0.37 0.07 -0.31 3.16 2.07 -0.97 -1.72 116.25 118.92 2spn h VAL 68 Ca 0.15 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 2spn h VAL 68 Cb 0.06 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 2spn h VAL 68 CO -0.11 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 177.42 2spn h LEU 69 N -1.14 0.44 -0.24 2.57 3.38 -0.95 -1.25 115.31 118.13 2spn h LEU 69 Ca -0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2spn h LEU 69 Cb 0.92 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2spn h LEU 69 CO 0.09 0.51 0.12 0.74 0.09 0.00 0.00 178.44 179.99 2spn h THR 70 N 0.46 1.14 -0.39 0.22 2.02 -0.97 0.78 112.91 116.18 2spn h THR 70 Ca 0.10 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2spn h THR 70 Cb 0.29 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2spn h THR 70 CO 0.01 0.14 0.20 0.00 0.37 0.00 0.00 175.52 176.24 2spn h ALA 71 N 0.98 0.49 -0.36 6.16 0.00 -0.91 -1.84 119.26 123.79 2spn h ALA 71 Ca 0.08 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2spn h ALA 71 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2spn h ALA 71 CO -0.01 0.03 -0.12 1.25 0.00 0.00 0.00 179.25 180.40 2spn h LEU 72 N 0.49 0.61 -0.75 0.00 5.85 -1.05 -2.57 115.31 117.89 2spn h LEU 72 Ca 0.13 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 2spn h LEU 72 Cb 0.07 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2spn h LEU 72 CO -0.02 0.76 -0.36 1.23 -0.34 0.00 0.00 178.44 179.71 2spn h GLY 73 N 0.96 0.57 1.51 3.75 0.00 -0.66 0.66 103.07 109.87 2spn h GLY 73 Ca 0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 2spn h GLY 73 CO 0.03 0.49 -0.02 0.00 0.00 0.00 0.00 176.54 177.05 2spn h ALA 74 N 1.16 1.27 0.11 3.60 0.00 -1.06 -1.40 119.26 122.95 2spn h ALA 74 Ca 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2spn h ALA 74 Cb 0.84 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2spn h ALA 74 CO 0.07 0.49 -0.05 0.82 0.00 0.00 0.00 179.25 180.58 2spn h ILE 75 N 0.57 1.10 -0.87 0.00 2.04 -1.01 -3.06 117.51 116.28 2spn h ILE 75 Ca 0.12 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 64.99 2spn h ILE 75 Cb 0.39 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 2spn h ILE 75 CO 0.02 0.24 0.57 -0.07 0.00 0.00 0.00 178.15 178.91 2spn h LEU 76 N -0.66 0.85 -0.97 1.44 3.38 -0.69 -1.73 115.31 116.93 2spn h LEU 76 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2spn h LEU 76 Cb 0.51 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2spn h LEU 76 CO 0.02 0.54 0.00 0.11 0.09 0.00 0.00 178.44 179.21 2spn h LYS 77 N 0.97 0.00 0.00 1.13 1.57 -1.17 -1.45 116.57 117.61 2spn h LYS 77 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2spn h LYS 77 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2spn h LYS 77 CO -0.14 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.37 2spn n LYS 78 N -2.38 0.14 -3.27 3.15 4.76 -0.65 -4.95 118.16 114.97 2spn n LYS 78 Ca 0.01 0.16 -0.24 0.00 -2.87 0.00 0.00 58.31 55.38 2spn n LYS 78 Cb 0.21 -1.68 0.03 0.00 -1.84 0.00 0.00 35.03 31.74 2spn n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2spn n LYS 79 N -1.94 -4.95 0.00 1.97 5.02 -0.55 -2.11 118.16 115.61 2spn n LYS 79 Ca 0.06 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 2spn n LYS 79 Cb 0.36 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.76 2spn n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2spn n GLY 80 N -1.51 0.95 2.64 0.72 0.00 -1.26 -4.96 105.19 101.77 2spn n GLY 80 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2spn n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2spn n HIS 81 N -1.51 2.76 -1.10 1.61 8.25 -0.90 -4.69 115.22 119.64 2spn n HIS 81 Ca 0.00 -2.57 0.09 0.00 -0.26 0.00 0.00 57.72 54.99 2spn n HIS 81 Cb 0.00 -1.24 0.16 0.00 1.12 0.00 0.00 29.99 30.02 2spn n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2spn n HIS 82 N 0.05 0.11 -0.25 4.41 1.44 -1.26 -4.75 115.22 114.97 2spn n HIS 82 Ca 0.48 -1.03 0.01 0.00 -2.01 0.00 0.00 57.72 55.18 2spn n HIS 82 Cb 0.26 -0.18 0.14 0.00 0.12 0.00 0.00 29.99 30.33 2spn n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2spn h GLU 83 N 0.26 0.60 -0.38 -1.40 3.07 -2.00 -0.73 114.58 113.99 2spn h GLU 83 Ca 0.00 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 2spn h GLU 83 Cb 1.05 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 2spn h GLU 83 CO 0.03 0.40 -0.04 0.00 -1.40 0.00 0.00 179.01 177.99 2spn h ALA 84 N 1.43 0.52 -0.30 3.43 0.00 -2.01 -2.59 119.26 119.74 2spn h ALA 84 Ca 0.35 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2spn h ALA 84 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2spn h ALA 84 CO -0.26 0.33 -0.05 0.93 0.00 0.00 0.00 179.25 180.20 2spn h GLU 85 N 0.51 0.48 -0.02 0.00 3.07 -1.75 -3.25 114.58 113.62 2spn h GLU 85 Ca 0.10 -0.11 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 2spn h GLU 85 Cb 0.53 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2spn h GLU 85 CO 0.03 0.54 -0.74 1.25 -1.40 0.00 0.00 179.01 178.69 2spn h LEU 86 N 0.45 0.19 -0.25 1.33 5.85 -0.78 -3.35 115.31 118.76 2spn h LEU 86 Ca 0.09 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2spn h LEU 86 Cb 0.38 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 2spn h LEU 86 CO 0.02 0.86 -0.24 0.11 -0.34 0.00 0.00 178.44 178.85 2spn h LYS 87 N 0.10 -0.24 -0.14 1.25 1.57 -1.52 0.57 116.57 118.17 2spn h LYS 87 Ca -0.02 0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 2spn h LYS 87 Cb 1.31 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 2spn h LYS 87 CO 0.11 -0.16 -0.44 -1.00 -0.57 0.00 0.00 179.45 177.39 2spn h PRO 88 N -0.25 0.34 -0.21 3.15 0.13 -1.76 -1.18 132.00 132.21 2spn h PRO 88 Ca 0.14 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 2spn h PRO 88 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2spn h PRO 88 CO -0.39 0.72 -0.07 1.25 -0.23 0.00 0.00 178.00 179.27 2spn h LEU 89 N 0.28 0.43 -0.41 1.56 6.46 -1.62 -0.91 115.31 121.10 2spn h LEU 89 Ca 0.02 -0.39 0.04 0.00 -0.12 0.00 0.00 57.88 57.44 2spn h LEU 89 Cb 0.89 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.66 2spn h LEU 89 CO 0.07 0.72 0.16 0.00 -0.62 0.00 0.00 178.44 178.77 2spn h ALA 90 N 0.73 0.49 -0.31 1.25 0.00 -0.77 -0.76 119.26 119.88 2spn h ALA 90 Ca 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2spn h ALA 90 Cb 0.54 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2spn h ALA 90 CO 0.03 -0.22 0.19 0.37 0.00 0.00 0.00 179.25 179.62 2spn h GLN 91 N 0.34 0.43 -0.19 0.00 4.15 -1.01 0.12 115.11 118.95 2spn h GLN 91 Ca 0.18 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.42 2spn h GLN 91 Cb 0.15 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2spn h GLN 91 CO -0.17 0.32 -0.50 0.66 -1.93 0.00 0.00 178.83 177.21 2spn h SER 92 N 0.41 0.56 1.08 -0.69 4.64 -1.01 -0.23 113.55 118.31 2spn h SER 92 Ca 0.11 -0.28 -0.11 0.00 -0.47 0.00 0.00 61.79 61.04 2spn h SER 92 Cb 0.01 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2spn h SER 92 CO -0.02 0.97 -0.55 0.45 -0.87 0.00 0.00 176.83 176.81 2spn h HIS 93 N 0.41 0.00 0.09 4.77 3.86 -0.94 0.56 115.15 123.89 2spn h HIS 93 Ca 0.02 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 2spn h HIS 93 Cb 1.02 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.50 2spn h HIS 93 CO 0.04 0.55 -0.58 0.00 0.86 0.00 0.00 177.93 178.79 2spn h ALA 94 N 1.45 -0.03 0.00 2.45 0.00 -0.69 -0.15 119.26 122.29 2spn h ALA 94 Ca -0.01 -0.67 -0.33 0.00 0.00 0.00 0.00 54.91 53.90 2spn h ALA 94 Cb 1.23 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2spn h ALA 94 CO 0.07 0.28 -2.26 -2.37 0.00 0.00 0.00 179.25 174.97 2spn n THR 95 N -4.29 1.26 -0.06 0.00 5.66 -0.11 -3.78 114.28 112.97 2spn n THR 95 Ca -0.14 -0.69 -0.03 0.00 -3.05 0.00 0.00 64.05 60.14 2spn n THR 95 Cb 0.71 -0.75 -0.01 0.00 -1.55 0.00 0.00 70.33 68.73 2spn n THR 95 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2spn h LYS 96 N 0.00 0.00 0.00 1.09 1.63 -1.35 -3.41 116.57 114.53 2spn h LYS 96 Ca -0.50 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.21 2spn h LYS 96 Cb 2.02 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.64 2spn h LYS 96 CO -0.00 0.00 -0.65 0.45 -3.45 0.00 0.00 179.45 175.79 2spn h HIS 97 N -0.99 0.00 -5.61 1.91 -0.00 -1.09 -3.49 115.15 105.89 2spn h HIS 97 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.21 2spn h HIS 97 Cb 0.32 0.00 0.06 0.00 -0.00 0.00 0.00 27.41 27.80 2spn h HIS 97 CO -0.14 0.40 -0.44 1.63 -0.00 0.00 0.00 177.93 179.39 2spn n LYS 98 N -3.09 -1.58 -3.61 2.45 4.01 -0.32 -5.00 118.16 111.02 2spn n LYS 98 Ca -0.00 1.15 -0.40 0.00 -0.51 0.00 0.00 58.31 58.54 2spn n LYS 98 Cb 0.71 -5.30 -0.11 0.00 -0.51 0.00 0.00 35.03 29.82 2spn n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2spn s ILE 99 N -3.16 4.43 0.66 -0.18 -1.09 -0.22 -5.03 121.20 116.60 2spn s ILE 99 Ca 0.18 -1.03 -0.17 0.00 -2.23 0.00 0.00 60.65 57.39 2spn s ILE 99 Cb -0.03 -3.54 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2spn s ILE 99 CO 0.77 -0.31 1.24 -2.16 -1.23 0.00 0.00 174.94 173.25 2spn s PRO 100 N 1.51 2.56 0.26 2.79 0.04 -1.26 -4.80 135.00 136.10 2spn s PRO 100 Ca 0.02 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 2spn s PRO 100 Cb -0.20 -1.87 0.50 0.00 0.04 0.00 0.00 34.50 32.97 2spn s PRO 100 CO 0.05 -1.54 1.78 0.82 0.04 0.00 0.00 177.00 178.14 2spn h ILE 101 N 0.40 0.78 -0.99 0.56 1.08 -1.64 -0.60 117.51 117.09 2spn h ILE 101 Ca -0.50 -0.23 0.27 0.00 -0.39 0.00 0.00 64.86 64.01 2spn h ILE 101 Cb 1.31 0.04 -0.13 0.00 -3.07 0.00 0.00 36.82 34.97 2spn h ILE 101 CO 0.53 0.12 0.57 0.50 -0.69 0.00 0.00 178.15 179.18 2spn h LYS 102 N 0.68 0.47 0.00 2.37 1.63 -1.91 0.22 116.57 120.02 2spn h LYS 102 Ca 0.45 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.15 2spn h LYS 102 Cb 0.58 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 2spn h LYS 102 CO -0.33 0.31 -0.33 1.88 -3.45 0.00 0.00 179.45 177.53 2spn h TYR 103 N 0.48 0.00 -0.08 1.91 -1.99 -1.46 -1.83 116.97 114.00 2spn h TYR 103 Ca 0.67 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 61.24 2spn h TYR 103 Cb 1.36 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.08 2spn h TYR 103 CO -0.02 0.33 -0.63 -0.07 -0.00 0.00 0.00 178.16 177.78 2spn h LEU 104 N 0.00 0.35 -0.51 3.88 3.38 -0.56 -1.53 115.31 120.31 2spn h LEU 104 Ca -0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2spn h LEU 104 Cb 0.87 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2spn h LEU 104 CO 0.04 0.89 0.30 -0.33 0.09 0.00 0.00 178.44 179.43 2spn h GLU 105 N 0.22 0.70 -0.43 1.13 5.08 -0.52 -2.07 114.58 118.70 2spn h GLU 105 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2spn h GLU 105 Cb 1.15 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2spn h GLU 105 CO 0.10 0.52 0.27 0.74 -1.00 0.00 0.00 179.01 179.65 2spn h PHE 106 N 0.69 0.55 0.00 4.33 0.04 -1.00 -1.81 116.94 119.73 2spn h PHE 106 Ca 0.18 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.88 2spn h PHE 106 Cb 0.01 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 2spn h PHE 106 CO -0.02 0.36 -0.36 0.97 -0.60 0.00 0.00 178.31 178.65 2spn h ILE 107 N 0.57 0.84 -0.49 -0.55 2.10 -1.23 -1.98 117.51 116.77 2spn h ILE 107 Ca 0.16 -1.52 0.00 0.00 1.08 0.00 0.00 64.86 64.57 2spn h ILE 107 Cb -0.04 1.95 -0.02 0.00 -1.09 0.00 0.00 36.82 37.61 2spn h ILE 107 CO -0.03 0.36 0.31 0.28 -1.08 0.00 0.00 178.15 177.99 2spn h SER 108 N 0.00 0.57 -0.81 2.19 0.02 -0.81 0.10 113.55 114.81 2spn h SER 108 Ca -0.00 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2spn h SER 108 Cb 0.92 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 2spn h SER 108 CO 0.05 0.42 0.53 -0.08 -1.14 0.00 0.00 176.83 176.62 2spn h GLU 109 N 0.66 1.05 -0.77 3.45 4.81 -1.10 -0.84 114.58 121.84 2spn h GLU 109 Ca 0.18 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2spn h GLU 109 Cb -0.06 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.05 2spn h GLU 109 CO -0.04 0.70 0.36 0.00 -0.73 0.00 0.00 179.01 179.30 2spn h ALA 110 N 1.31 1.00 -0.19 2.92 0.00 -0.81 -0.84 119.26 122.64 2spn h ALA 110 Ca 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2spn h ALA 110 Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 2spn h ALA 110 CO -0.07 0.57 0.02 0.82 0.00 0.00 0.00 179.25 180.59 2spn h ILE 111 N 1.09 1.23 -0.47 0.00 2.04 -0.44 -1.38 117.51 119.59 2spn h ILE 111 Ca 0.26 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2spn h ILE 111 Cb 0.13 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2spn h ILE 111 CO -0.03 0.23 0.31 0.40 0.00 0.00 0.00 178.15 179.06 2spn h ILE 112 N 0.10 1.12 -0.41 -0.67 2.04 -1.06 -0.60 117.51 118.03 2spn h ILE 112 Ca 0.06 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.71 2spn h ILE 112 Cb 0.33 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2spn h ILE 112 CO 0.01 0.12 0.24 -0.74 0.00 0.00 0.00 178.15 177.77 2spn h HIS 113 N 0.64 0.44 -0.21 1.37 2.76 -0.97 -0.37 115.15 118.80 2spn h HIS 113 Ca 0.17 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 2spn h HIS 113 Cb -0.07 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 28.74 2spn h HIS 113 CO -0.04 0.26 -0.14 0.28 -1.30 0.00 0.00 177.93 176.99 2spn h VAL 114 N 0.48 1.31 -0.41 5.26 2.07 -1.11 -1.22 116.25 122.64 2spn h VAL 114 Ca 0.16 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2spn h VAL 114 Cb 0.02 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2spn h VAL 114 CO -0.08 0.38 0.10 -0.07 0.02 0.00 0.00 177.57 177.92 2spn h LEU 115 N 0.17 0.55 -0.60 2.57 3.38 -0.99 -0.29 115.31 120.10 2spn h LEU 115 Ca 0.04 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2spn h LEU 115 Cb 0.65 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2spn h LEU 115 CO 0.04 0.56 0.11 -0.74 0.09 0.00 0.00 178.44 178.50 2spn h HIS 116 N 0.59 1.04 -0.18 1.13 2.76 -0.87 0.36 115.15 119.99 2spn h HIS 116 Ca 0.14 -0.14 -0.11 0.00 -2.20 0.00 0.00 60.37 58.05 2spn h HIS 116 Cb 0.23 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.90 2spn h HIS 116 CO 0.01 0.90 -0.33 0.77 -1.30 0.00 0.00 177.93 177.97 2spn h SER 117 N 0.89 0.61 0.76 3.26 0.02 -0.79 -3.30 113.55 115.00 2spn h SER 117 Ca 0.18 -0.54 -0.24 0.00 -0.84 0.00 0.00 61.79 60.35 2spn h SER 117 Cb 0.41 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 2spn h SER 117 CO 0.01 1.04 -1.35 0.03 -1.14 0.00 0.00 176.83 175.42 2spn h ARG 118 N 0.21 0.00 -2.06 3.45 3.08 -1.05 -3.41 114.38 114.59 2spn h ARG 118 Ca 0.01 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.53 2spn h ARG 118 Cb 0.92 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.56 2spn h ARG 118 CO 0.07 0.68 -0.92 0.72 -1.07 0.00 0.00 179.97 179.45 2spn n HIS 119 N -3.16 2.17 -0.19 3.04 8.25 0.11 -4.95 115.22 120.50 2spn n HIS 119 Ca -0.09 -3.82 0.01 0.00 -0.26 0.00 0.00 57.72 53.56 2spn n HIS 119 Cb 0.98 -0.43 0.26 0.00 1.12 0.00 0.00 29.99 31.91 2spn n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2spn h PRO 120 N 2.97 0.93 -0.05 -0.41 0.13 -1.73 0.36 132.00 134.20 2spn h PRO 120 Ca 0.11 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.09 2spn h PRO 120 Cb 0.76 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2spn h PRO 120 CO 0.66 0.63 -0.39 0.78 -0.23 0.00 0.00 178.00 179.46 2spn h GLY 121 N 0.97 0.11 -1.71 1.56 0.00 -1.92 -2.78 103.07 99.30 2spn h GLY 121 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2spn h GLY 121 CO -0.05 0.09 0.00 0.70 0.00 0.00 0.00 176.54 177.28 2spn n ASN 122 N -4.06 3.32 -2.94 0.19 3.02 -0.13 -4.64 115.26 110.02 2spn n ASN 122 Ca -0.02 -2.10 -0.14 0.00 -0.03 0.00 0.00 54.58 52.30 2spn n ASN 122 Cb 0.44 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2spn n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2spn n PHE 123 N 0.72 0.44 -0.94 3.10 7.35 -0.07 -4.65 117.46 123.41 2spn n PHE 123 Ca 0.16 -3.30 -0.19 0.00 -0.76 0.00 0.00 57.45 53.37 2spn n PHE 123 Cb 0.53 -0.30 0.15 0.00 0.35 0.00 0.00 39.48 40.21 2spn n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2spn n GLY 124 N 0.12 -2.48 0.21 7.13 0.00 -1.23 -4.61 105.19 104.31 2spn n GLY 124 Ca 0.17 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.63 2spn n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2spn h ALA 125 N -2.39 0.64 -0.57 4.61 0.00 -1.98 0.26 119.26 119.84 2spn h ALA 125 Ca -0.26 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2spn h ALA 125 Cb 0.78 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2spn h ALA 125 CO 0.17 -0.04 0.21 -0.44 0.00 0.00 0.00 179.25 179.15 2spn h ASP 126 N 0.55 0.80 -0.41 0.00 3.32 -1.99 0.17 116.42 118.86 2spn h ASP 126 Ca 0.21 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 2spn h ASP 126 Cb 0.07 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2spn h ASP 126 CO -0.12 0.77 -0.20 0.00 -1.72 0.00 0.00 179.24 177.98 2spn h ALA 127 N 1.06 0.79 -0.52 3.45 0.00 -1.80 -1.42 119.26 120.83 2spn h ALA 127 Ca 0.19 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2spn h ALA 127 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2spn h ALA 127 CO -0.01 0.66 -0.06 0.37 0.00 0.00 0.00 179.25 180.20 2spn h GLN 128 N 0.79 0.92 -0.76 0.00 4.15 -0.75 -0.43 115.11 119.03 2spn h GLN 128 Ca 0.11 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.18 2spn h GLN 128 Cb 0.75 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 2spn h GLN 128 CO 0.06 0.95 0.30 0.78 -1.93 0.00 0.00 178.83 178.99 2spn h GLY 129 N 0.98 1.21 0.80 2.39 0.00 -0.72 0.18 103.07 107.91 2spn h GLY 129 Ca 0.14 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2spn h GLY 129 CO 0.04 0.62 0.02 0.00 0.00 0.00 0.00 176.54 177.21 2spn h ALA 130 N 1.22 0.18 -0.71 3.60 0.00 -0.79 -1.03 119.26 121.72 2spn h ALA 130 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2spn h ALA 130 Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2spn h ALA 130 CO -0.02 -0.15 0.45 1.98 0.00 0.00 0.00 179.25 181.51 2spn h MET 131 N -0.01 0.95 -0.42 0.00 1.85 -0.83 -0.01 114.93 116.45 2spn h MET 131 Ca 0.04 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 59.09 2spn h MET 131 Cb 0.32 -0.21 -0.04 0.00 0.43 0.00 0.00 31.60 32.10 2spn h MET 131 CO 0.00 0.65 0.21 -0.97 -0.40 0.00 0.00 176.91 176.40 2spn h ASN 132 N 0.97 0.30 -0.81 1.39 -1.24 -0.52 -1.24 115.58 114.44 2spn h ASN 132 Ca 0.26 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.26 2spn h ASN 132 Cb -0.08 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 38.90 2spn h ASN 132 CO -0.05 0.22 0.39 0.11 -1.29 0.00 0.00 177.43 176.81 2spn h LYS 133 N 0.42 1.16 -0.70 6.67 1.57 -0.60 0.05 116.57 125.15 2spn h LYS 133 Ca 0.18 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2spn h LYS 133 Cb 0.09 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2spn h LYS 133 CO -0.13 0.89 0.27 0.00 -0.57 0.00 0.00 179.45 179.91 2spn h ALA 134 N 1.21 1.16 0.02 3.86 0.00 -0.55 0.45 119.26 125.40 2spn h ALA 134 Ca 0.28 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2spn h ALA 134 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2spn h ALA 134 CO -0.04 0.60 -0.95 -0.07 0.00 0.00 0.00 179.25 178.80 2spn h LEU 135 N 1.01 0.29 -0.45 0.00 3.38 -0.88 -1.29 115.31 117.38 2spn h LEU 135 Ca 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2spn h LEU 135 Cb 0.21 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2spn h LEU 135 CO -0.02 1.09 0.20 -0.33 0.09 0.00 0.00 178.44 179.47 2spn h GLU 136 N 0.11 0.65 0.02 1.13 5.08 -0.59 0.14 114.58 121.12 2spn h GLU 136 Ca -0.06 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2spn h GLU 136 Cb 1.61 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 2spn h GLU 136 CO 0.15 0.57 -0.12 1.25 -1.00 0.00 0.00 179.01 179.85 2spn h LEU 137 N 0.58 -0.36 -0.17 1.33 5.85 -0.75 0.32 115.31 122.11 2spn h LEU 137 Ca 0.15 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.98 2spn h LEU 137 Cb 0.14 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 2spn h LEU 137 CO -0.02 -0.18 -0.27 0.15 -0.34 0.00 0.00 178.44 177.78 2spn h PHE 138 N -0.22 -0.73 -0.81 1.25 3.57 -1.06 -0.33 116.94 118.61 2spn h PHE 138 Ca 0.04 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2spn h PHE 138 Cb 0.27 0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2spn h PHE 138 CO -0.18 -0.35 0.45 0.00 -2.23 0.00 0.00 178.31 176.00 2spn h ARG 139 N -0.32 1.13 -0.28 1.11 3.08 -0.54 0.21 114.38 118.76 2spn h ARG 139 Ca 0.11 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 2spn h ARG 139 Cb 0.49 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2spn h ARG 139 CO -0.35 0.82 -0.41 -0.22 -1.07 0.00 0.00 179.97 178.74 2spn h LYS 140 N 1.13 0.68 -0.23 0.04 3.64 0.11 0.03 116.57 121.97 2spn h LYS 140 Ca 0.29 -0.35 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 2spn h LYS 140 Cb 0.02 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2spn h LYS 140 CO -0.05 0.96 -0.57 -0.44 -2.27 0.00 0.00 179.45 177.09 2spn h ASP 141 N 0.55 0.79 0.13 4.20 5.19 -0.82 -2.13 116.42 124.32 2spn h ASP 141 Ca 0.04 -0.43 -0.14 0.00 -0.62 0.00 0.00 57.03 55.89 2spn h ASP 141 Cb 0.94 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.22 2spn h ASP 141 CO 0.09 1.19 -0.49 0.40 -3.12 0.00 0.00 179.24 177.30 2spn h ILE 142 N 0.53 1.33 -0.82 0.35 1.08 -0.82 -2.07 117.51 117.09 2spn h ILE 142 Ca 0.01 -1.72 -0.04 0.00 -0.39 0.00 0.00 64.86 62.72 2spn h ILE 142 Cb 1.14 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.60 2spn h ILE 142 CO 0.12 0.53 0.36 0.00 -0.69 0.00 0.00 178.15 178.46 2spn h ALA 143 N 1.14 1.07 -0.33 1.87 0.00 -0.70 0.21 119.26 122.52 2spn h ALA 143 Ca 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2spn h ALA 143 Cb 0.99 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2spn h ALA 143 CO 0.09 0.67 -0.15 0.00 0.00 0.00 0.00 179.25 179.85 2spn h ALA 144 N 1.19 1.11 -0.03 0.00 0.00 -1.19 -2.35 119.26 117.99 2spn h ALA 144 Ca 0.28 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2spn h ALA 144 Cb 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2spn h ALA 144 CO -0.03 0.55 -0.88 0.87 0.00 0.00 0.00 179.25 179.77 2spn h LYS 145 N 0.54 0.44 -0.91 0.00 6.56 -0.64 -2.35 116.57 120.21 2spn h LYS 145 Ca 0.09 -0.43 0.12 0.00 -1.06 0.00 0.00 60.65 59.37 2spn h LYS 145 Cb 0.58 0.11 -0.08 0.00 -0.57 0.00 0.00 32.23 32.27 2spn h LYS 145 CO 0.04 1.08 0.54 1.88 -2.06 0.00 0.00 179.45 180.93 2spn h TYR 146 N 0.27 0.97 -0.23 -1.35 -1.99 -0.12 -0.51 116.97 114.02 2spn h TYR 146 Ca -0.07 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 2spn h TYR 146 Cb 1.50 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.92 2spn h TYR 146 CO 0.06 0.36 -0.02 -0.22 -0.00 0.00 0.00 178.16 178.34 2spn h LYS 147 N 0.85 0.41 -0.05 4.88 3.64 -1.26 0.31 116.57 125.35 2spn h LYS 147 Ca 0.46 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 2spn h LYS 147 Cb 0.48 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2spn h LYS 147 CO -0.28 0.62 -0.13 0.93 -2.27 0.00 0.00 179.45 178.32 2spn h GLU 148 N 0.17 0.08 0.00 1.90 5.08 -0.77 -1.96 114.58 119.08 2spn h GLU 148 Ca 0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2spn h GLU 148 Cb 0.44 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2spn h GLU 148 CO 0.02 0.22 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.98 2spn h LEU 149 N 0.08 0.00 0.00 1.33 3.38 -0.67 -3.48 115.31 115.95 2spn h LEU 149 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2spn h LEU 149 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2spn h LEU 149 CO 0.02 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2spn n GLY 150 N 1.30 0.98 0.54 0.83 0.00 -0.60 -5.00 105.19 103.25 2spn n GLY 150 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2spn n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2spn n TYR 151 N -2.03 0.00 0.00 1.61 9.36 -0.00 -5.02 117.16 121.08 2spn n TYR 151 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2spn n TYR 151 Cb 0.00 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 38.32 2spn n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2spn n GLN 152 N -3.35 0.00 0.00 2.98 -0.06 -0.92 -4.91 117.38 111.12 2spn n GLN 152 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.79 2spn n GLN 152 Cb 0.66 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.84 2spn n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27