#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1on1 s THR 3 N 0.00 -0.05 0.20 12.58 2.01 -1.26 -5.06 115.64 124.07 1on1 s THR 3 Ca 0.00 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.03 1on1 s THR 3 Cb 0.00 -0.44 0.12 0.00 0.01 0.00 0.00 72.50 72.19 1on1 s THR 3 CO 0.00 0.06 1.79 -0.65 -0.69 0.00 0.00 174.62 175.12 1on1 h PRO 4 N 7.21 0.55 -0.30 4.92 0.11 -1.98 0.30 132.00 142.79 1on1 h PRO 4 Ca -0.39 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 1on1 h PRO 4 Cb 1.16 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1on1 h PRO 4 CO 0.35 0.36 -0.05 1.03 -0.21 0.00 0.00 178.00 179.48 1on1 h SER 5 N 0.56 0.57 -0.69 -2.05 0.87 -1.98 0.16 113.55 110.98 1on1 h SER 5 Ca 0.28 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1on1 h SER 5 Cb 0.21 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1on1 h SER 5 CO -0.20 0.78 0.44 0.24 -0.53 0.00 0.00 176.83 177.56 1on1 h MET 6 N 0.34 0.93 -0.45 2.24 2.86 -1.88 -0.51 114.93 118.46 1on1 h MET 6 Ca 0.08 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1on1 h MET 6 Cb 0.52 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1on1 h MET 6 CO 0.03 0.64 0.19 0.93 1.06 0.00 0.00 176.91 179.76 1on1 h GLU 7 N 0.94 0.67 -0.72 1.72 5.08 -0.22 -0.39 114.58 121.66 1on1 h GLU 7 Ca 0.25 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1on1 h GLU 7 Cb -0.06 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1on1 h GLU 7 CO -0.05 0.60 0.48 0.22 -1.00 0.00 0.00 179.01 179.26 1on1 h ASP 8 N 0.58 0.83 -0.28 1.42 -0.00 -0.16 0.22 116.42 119.03 1on1 h ASP 8 Ca 0.15 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.03 57.08 1on1 h ASP 8 Cb 0.17 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.29 1on1 h ASP 8 CO -0.01 0.60 -0.14 1.88 -0.00 0.00 0.00 179.24 181.56 1on1 h TYR 9 N 0.97 0.69 -0.65 0.28 -1.99 -0.65 -1.38 116.97 114.24 1on1 h TYR 9 Ca 0.27 -0.17 -0.04 0.00 2.00 0.00 0.00 58.73 60.79 1on1 h TYR 9 Cb -0.10 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.44 1on1 h TYR 9 CO -0.00 0.84 0.27 0.82 -0.00 0.00 0.00 178.16 180.09 1on1 h ILE 10 N 0.34 1.24 -0.27 -2.88 2.04 -0.42 0.19 117.51 117.74 1on1 h ILE 10 Ca 0.06 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.22 1on1 h ILE 10 Cb 0.66 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1on1 h ILE 10 CO 0.04 0.29 0.13 -0.08 0.00 0.00 0.00 178.15 178.53 1on1 h GLU 11 N 0.92 0.26 -0.51 2.37 4.81 -0.50 0.81 114.58 122.73 1on1 h GLU 11 Ca 0.22 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1on1 h GLU 11 Cb 0.19 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1on1 h GLU 11 CO -0.02 0.18 -0.13 0.37 -0.73 0.00 0.00 179.01 178.68 1on1 h GLN 12 N 0.27 0.99 -0.61 1.92 5.75 -0.88 -1.57 115.11 120.98 1on1 h GLN 12 Ca 0.11 -0.38 -0.09 0.00 -0.15 0.00 0.00 58.65 58.14 1on1 h GLN 12 Cb 0.04 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1on1 h GLN 12 CO -0.09 1.06 0.03 0.82 -2.65 0.00 0.00 178.83 178.00 1on1 h ILE 13 N 0.85 1.26 -0.50 2.39 2.04 -0.39 -1.31 117.51 121.86 1on1 h ILE 13 Ca 0.13 -1.12 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1on1 h ILE 13 Cb 0.70 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1on1 h ILE 13 CO 0.05 0.41 0.15 0.22 0.00 0.00 0.00 178.15 178.98 1on1 h TYR 14 N 0.96 0.80 -0.58 1.37 3.20 -0.74 -1.58 116.97 120.40 1on1 h TYR 14 Ca 0.18 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1on1 h TYR 14 Cb 0.53 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1on1 h TYR 14 CO 0.04 0.70 0.16 0.52 -1.64 0.00 0.00 178.16 177.93 1on1 h MET 15 N 0.67 0.92 -0.46 1.82 2.86 -1.07 -1.07 114.93 118.61 1on1 h MET 15 Ca 0.16 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1on1 h MET 15 Cb 0.28 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1on1 h MET 15 CO -0.00 0.84 0.23 -0.07 1.06 0.00 0.00 176.91 178.97 1on1 h LEU 16 N 0.83 0.59 -0.92 1.22 3.38 -1.08 0.37 115.31 119.70 1on1 h LEU 16 Ca 0.18 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1on1 h LEU 16 Cb 0.32 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1on1 h LEU 16 CO -0.00 0.53 0.46 0.40 0.09 0.00 0.00 178.44 179.92 1on1 h ILE 17 N 0.60 1.26 -0.19 1.22 2.04 -1.13 0.50 117.51 121.81 1on1 h ILE 17 Ca 0.16 -0.66 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 1on1 h ILE 17 Cb 0.09 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1on1 h ILE 17 CO -0.02 0.29 -0.42 -0.33 0.00 0.00 0.00 178.15 177.67 1on1 h GLU 18 N 1.23 0.44 0.03 2.37 4.39 -0.54 0.28 114.58 122.78 1on1 h GLU 18 Ca 0.31 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1on1 h GLU 18 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1on1 h GLU 18 CO -0.05 0.78 -0.18 1.49 -1.16 0.00 0.00 179.01 179.90 1on1 h GLU 19 N 0.36 0.07 0.00 2.33 4.81 0.34 -3.41 114.58 119.09 1on1 h GLU 19 Ca 0.03 -0.12 -0.21 0.00 -0.13 0.00 0.00 59.36 58.93 1on1 h GLU 19 Cb 0.89 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 1on1 h GLU 19 CO 0.08 1.02 -2.03 1.63 -0.73 0.00 0.00 179.01 178.98 1on1 n LYS 20 N -4.51 1.09 0.00 1.92 5.02 0.17 -4.99 118.16 116.85 1on1 n LYS 20 Ca -0.11 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1on1 n LYS 20 Cb 0.54 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1on1 n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1on1 n GLY 21 N 1.84 0.50 3.65 0.72 0.00 0.98 -5.02 105.19 107.86 1on1 n GLY 21 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1on1 n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1on1 s TYR 22 N -2.00 -0.29 -0.28 1.61 -0.85 -1.25 -4.88 117.35 109.41 1on1 s TYR 22 Ca 0.00 -0.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 1on1 s TYR 22 Cb 0.00 0.59 0.08 0.00 0.38 0.00 0.00 41.96 43.02 1on1 s TYR 22 CO 0.00 -1.05 0.04 0.00 -1.52 0.00 0.00 175.55 173.03 1on1 s ALA 23 N -3.86 1.80 0.24 9.51 0.00 -1.26 -3.62 121.76 124.57 1on1 s ALA 23 Ca 0.07 -1.61 -0.22 0.00 0.00 0.00 0.00 51.96 50.20 1on1 s ALA 23 Cb -0.03 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.43 1on1 s ALA 23 CO -0.02 -1.48 0.79 1.03 0.00 0.00 0.00 175.76 176.08 1on1 s ARG 24 N 1.47 4.40 0.24 0.00 0.52 -1.26 -4.33 118.95 119.99 1on1 s ARG 24 Ca 0.05 1.05 -0.05 0.00 -0.52 0.00 0.00 55.73 56.25 1on1 s ARG 24 Cb -0.18 -2.94 0.40 0.00 0.52 0.00 0.00 34.95 32.75 1on1 s ARG 24 CO -0.15 0.40 1.78 0.28 0.02 0.00 0.00 175.30 177.63 1on1 h VAL 25 N 2.83 0.82 -0.61 3.52 2.07 -1.99 0.15 116.25 123.04 1on1 h VAL 25 Ca -0.47 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1on1 h VAL 25 Cb 1.20 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1on1 h VAL 25 CO 0.65 0.11 0.37 0.77 0.02 0.00 0.00 177.57 179.49 1on1 h SER 26 N 0.63 0.59 0.03 0.57 4.64 -1.96 0.14 113.55 118.18 1on1 h SER 26 Ca 0.39 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.62 1on1 h SER 26 Cb 0.45 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1on1 h SER 26 CO -0.30 0.40 -0.29 0.44 -0.87 0.00 0.00 176.83 176.22 1on1 h ASP 27 N 0.71 0.41 0.01 4.97 3.32 -1.57 -0.17 116.42 124.10 1on1 h ASP 27 Ca 0.25 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1on1 h ASP 27 Cb 0.05 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1on1 h ASP 27 CO -0.11 0.69 -0.01 0.40 -1.72 0.00 0.00 179.24 178.49 1on1 h ILE 28 N 0.35 1.33 -0.87 0.35 2.04 -0.34 -0.78 117.51 119.59 1on1 h ILE 28 Ca 0.05 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 64.89 1on1 h ILE 28 Cb 0.69 2.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 1on1 h ILE 28 CO 0.05 0.27 0.57 0.00 0.00 0.00 0.00 178.15 179.05 1on1 h ALA 29 N 0.50 1.47 -0.17 1.87 0.00 -0.63 -0.89 119.26 121.41 1on1 h ALA 29 Ca -0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1on1 h ALA 29 Cb 0.46 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1on1 h ALA 29 CO 0.00 0.44 -0.63 1.49 0.00 0.00 0.00 179.25 180.56 1on1 h GLU 30 N 1.07 0.60 -0.13 0.00 4.81 -0.97 0.43 114.58 120.39 1on1 h GLU 30 Ca 0.35 -0.42 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 1on1 h GLU 30 Cb 0.05 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1on1 h GLU 30 CO -0.11 1.04 -0.60 0.00 -0.73 0.00 0.00 179.01 178.62 1on1 h ALA 31 N 0.86 0.73 -0.01 2.92 0.00 -0.59 -3.06 119.26 120.11 1on1 h ALA 31 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1on1 h ALA 31 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1on1 h ALA 31 CO 0.12 0.71 -0.35 1.28 0.00 0.00 0.00 179.25 181.01 1on1 n LEU 32 N -3.91 1.12 -3.58 0.00 4.77 -0.39 -4.95 117.00 110.05 1on1 n LEU 32 Ca -0.03 -0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 55.40 1on1 n LEU 32 Cb 0.62 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.68 1on1 n LEU 32 CO 0.46 0.22 0.22 0.00 -1.33 0.00 0.00 177.39 176.96 1on1 n ALA 33 N -0.69 -1.43 -2.50 -1.18 0.00 -0.05 -5.00 120.51 109.65 1on1 n ALA 33 Ca 0.11 0.32 -0.24 0.00 0.00 0.00 0.00 53.44 53.63 1on1 n ALA 33 Cb 0.36 -4.97 -0.11 0.00 0.00 0.00 0.00 19.45 14.74 1on1 n ALA 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1on1 s VAL 34 N -3.33 1.87 0.34 0.00 -7.23 -0.09 -5.03 120.40 106.94 1on1 s VAL 34 Ca 0.49 -2.13 -0.27 0.00 -1.81 0.00 0.00 61.98 58.26 1on1 s VAL 34 Cb -0.22 -2.62 -0.09 0.00 0.56 0.00 0.00 36.38 34.01 1on1 s VAL 34 CO 0.73 -0.20 1.14 -2.28 -0.31 0.00 0.00 175.10 174.18 1on1 s HIS 35 N -2.85 3.32 0.48 2.82 5.65 -1.26 -4.50 115.29 118.95 1on1 s HIS 35 Ca 0.32 1.61 0.19 0.00 0.25 0.00 0.00 55.06 57.43 1on1 s HIS 35 Cb 0.04 -3.35 1.20 0.00 -1.18 0.00 0.00 32.58 29.30 1on1 s HIS 35 CO 0.15 -0.95 2.00 -1.00 -0.65 0.00 0.00 174.74 174.28 1on1 h PRO 36 N 3.23 0.20 -0.60 2.88 0.13 -1.91 -0.55 132.00 135.38 1on1 h PRO 36 Ca -0.48 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1on1 h PRO 36 Cb 1.22 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1on1 h PRO 36 CO 0.65 0.13 0.18 0.66 -0.23 0.00 0.00 178.00 179.39 1on1 h SER 37 N 0.20 0.84 -0.35 1.44 4.64 -1.98 -1.37 113.55 116.97 1on1 h SER 37 Ca 0.25 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 1on1 h SER 37 Cb 0.70 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1on1 h SER 37 CO -0.04 0.79 -0.11 0.28 -0.87 0.00 0.00 176.83 176.88 1on1 h SER 38 N 0.88 0.77 -0.68 4.97 0.02 -1.48 -2.55 113.55 115.48 1on1 h SER 38 Ca 0.20 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1on1 h SER 38 Cb 0.26 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1on1 h SER 38 CO -0.01 0.91 0.19 0.58 -1.14 0.00 0.00 176.83 177.36 1on1 h VAL 39 N 0.71 1.26 -0.55 2.27 2.07 -1.09 -2.32 116.25 118.60 1on1 h VAL 39 Ca 0.12 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.77 1on1 h VAL 39 Cb 0.59 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1on1 h VAL 39 CO 0.04 0.35 0.28 0.74 0.02 0.00 0.00 177.57 179.00 1on1 h THR 40 N 1.01 0.95 -0.41 2.57 2.02 -0.90 0.02 112.91 118.16 1on1 h THR 40 Ca 0.22 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1on1 h THR 40 Cb 0.34 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1on1 h THR 40 CO -0.00 0.10 0.22 0.50 0.37 0.00 0.00 175.52 176.71 1on1 h LYS 41 N 0.54 0.58 -0.50 6.66 3.64 -1.19 -2.23 116.57 124.08 1on1 h LYS 41 Ca 0.24 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1on1 h LYS 41 Cb 0.15 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1on1 h LYS 41 CO -0.17 0.48 0.09 1.98 -2.27 0.00 0.00 179.45 179.56 1on1 h MET 42 N 0.53 0.82 -0.63 1.90 4.05 -0.97 -2.42 114.93 118.21 1on1 h MET 42 Ca 0.14 -0.21 0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1on1 h MET 42 Cb 0.07 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.73 1on1 h MET 42 CO -0.02 0.81 0.39 0.28 0.23 0.00 0.00 176.91 178.60 1on1 h VAL 43 N 0.70 1.09 -0.31 -5.77 2.07 -0.87 0.32 116.25 113.49 1on1 h VAL 43 Ca 0.15 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1on1 h VAL 43 Cb 0.38 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1on1 h VAL 43 CO 0.01 0.14 0.07 1.56 0.02 0.00 0.00 177.57 179.36 1on1 h GLN 44 N 0.77 0.45 -0.12 1.57 4.20 -1.25 0.17 115.11 120.90 1on1 h GLN 44 Ca 0.25 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.72 1on1 h GLN 44 Cb 0.00 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.71 1on1 h GLN 44 CO -0.09 0.42 -0.58 -0.22 -0.67 0.00 0.00 178.83 177.69 1on1 h LYS 45 N 0.44 0.61 -0.24 1.46 3.64 -0.75 -1.66 116.57 120.07 1on1 h LYS 45 Ca 0.10 -0.49 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1on1 h LYS 45 Cb 0.19 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1on1 h LYS 45 CO -0.00 1.11 -0.02 -0.07 -2.27 0.00 0.00 179.45 178.21 1on1 h LEU 46 N 0.25 0.33 -0.14 5.20 3.38 0.18 -0.62 115.31 123.90 1on1 h LEU 46 Ca -0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1on1 h LEU 46 Cb 1.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1on1 h LEU 46 CO 0.12 0.40 -0.06 -0.78 0.09 0.00 0.00 178.44 178.21 1on1 h ASP 47 N 0.35 0.29 -0.97 -0.43 1.82 -0.54 -0.09 116.42 116.85 1on1 h ASP 47 Ca 0.08 -0.40 0.01 0.00 -0.39 0.00 0.00 57.03 56.32 1on1 h ASP 47 Cb 0.26 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.14 1on1 h ASP 47 CO 0.01 0.63 0.64 0.50 -1.61 0.00 0.00 179.24 179.41 1on1 h LYS 48 N -0.05 1.27 0.00 0.28 3.64 -0.76 -1.35 116.57 119.60 1on1 h LYS 48 Ca 0.03 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1on1 h LYS 48 Cb 0.52 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1on1 h LYS 48 CO 0.02 0.84 0.00 -0.25 -2.27 0.00 0.00 179.45 177.79 1on1 n ASP 49 N -4.39 0.00 -1.74 4.20 8.00 -0.29 -4.90 116.55 117.44 1on1 n ASP 49 Ca 0.11 -1.66 -0.15 0.00 0.71 0.00 0.00 54.79 53.80 1on1 n ASP 49 Cb 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1on1 n ASP 49 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1on1 n GLU 50 N -0.67 -1.23 0.07 -1.24 1.02 -0.51 -4.90 120.64 113.18 1on1 n GLU 50 Ca 0.08 0.74 0.07 0.00 -0.02 0.00 0.00 57.16 58.02 1on1 n GLU 50 Cb 0.04 -5.08 -0.04 0.00 -0.02 0.00 0.00 31.44 26.33 1on1 n GLU 50 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1on1 n TYR 51 N -4.02 0.91 -3.88 -0.32 4.02 -0.08 -4.50 117.16 109.30 1on1 n TYR 51 Ca -0.18 0.28 -0.08 0.00 -0.01 0.00 0.00 57.90 57.91 1on1 n TYR 51 Cb 0.64 -0.99 -0.01 0.00 -0.02 0.00 0.00 39.34 38.96 1on1 n TYR 51 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1on1 s LEU 52 N -5.47 -0.01 0.00 7.72 0.05 -1.22 -1.18 118.68 118.57 1on1 s LEU 52 Ca -0.02 -0.88 0.00 0.00 0.05 0.00 0.00 54.13 53.28 1on1 s LEU 52 Cb 0.09 2.54 0.00 0.00 -2.05 0.00 0.00 46.19 46.77 1on1 s LEU 52 CO 0.81 -1.42 0.00 -0.38 -0.55 0.00 0.00 176.35 174.81 1on1 n ILE 53 N -0.48 0.00 0.00 1.48 -0.00 0.35 -4.26 119.36 116.45 1on1 n ILE 53 Ca -0.05 0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.76 1on1 n ILE 53 Cb 0.60 -1.01 0.00 0.00 -0.00 0.00 0.00 39.64 39.23 1on1 n ILE 53 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1on1 n GLY 59 N 3.32 0.00 3.82 7.39 0.00 -1.26 -4.75 105.19 113.71 1on1 n GLY 59 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1on1 n GLY 59 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1on1 s LEU 60 N 0.00 3.98 -0.03 0.99 0.05 -1.26 -5.07 118.68 117.35 1on1 s LEU 60 Ca 0.00 1.63 0.02 0.00 0.05 0.00 0.00 54.13 55.84 1on1 s LEU 60 Cb 0.00 -4.43 0.00 0.00 -2.05 0.00 0.00 46.19 39.71 1on1 s LEU 60 CO 0.00 -0.32 -0.09 -0.69 -0.55 0.00 0.00 176.35 174.70 1on1 s VAL 61 N -2.11 0.78 0.34 1.48 1.01 -1.26 -4.60 120.40 116.04 1on1 s VAL 61 Ca 0.60 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1on1 s VAL 61 Cb -0.10 -0.70 -0.10 0.00 0.00 0.00 0.00 36.38 35.48 1on1 s VAL 61 CO 0.14 0.25 0.99 -0.76 0.00 0.00 0.00 175.10 175.72 1on1 s LEU 62 N 0.26 4.32 0.72 3.92 1.43 -1.26 -0.50 118.68 127.57 1on1 s LEU 62 Ca -0.04 1.94 -0.07 0.00 -1.03 0.00 0.00 54.13 54.93 1on1 s LEU 62 Cb -0.09 -4.00 0.06 0.00 0.03 0.00 0.00 46.19 42.19 1on1 s LEU 62 CO 0.01 -0.18 1.04 0.42 0.23 0.00 0.00 176.35 177.86 1on1 s THR 63 N -1.56 2.24 0.48 5.49 -4.23 -0.33 -4.79 115.64 112.94 1on1 s THR 63 Ca 0.51 -0.24 0.14 0.00 -1.18 0.00 0.00 61.69 60.92 1on1 s THR 63 Cb -0.21 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 70.91 1on1 s THR 63 CO 0.27 0.00 2.10 0.77 -0.54 0.00 0.00 174.62 177.22 1on1 h SER 64 N -0.66 0.17 -0.34 3.99 4.64 -1.90 0.14 113.55 119.58 1on1 h SER 64 Ca -0.45 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1on1 h SER 64 Cb 1.32 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1on1 h SER 64 CO 0.61 0.12 0.10 0.50 -0.87 0.00 0.00 176.83 177.29 1on1 h LYS 65 N 0.19 0.53 -0.13 4.77 3.64 -1.87 -0.94 116.57 122.76 1on1 h LYS 65 Ca 0.08 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 1on1 h LYS 65 Cb 0.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1on1 h LYS 65 CO -0.01 0.56 -0.55 0.78 -2.27 0.00 0.00 179.45 177.96 1on1 h GLY 66 N 0.39 0.41 0.95 5.01 0.00 -1.23 -2.97 103.07 105.63 1on1 h GLY 66 Ca 0.11 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1on1 h GLY 66 CO -0.00 0.42 -0.08 0.50 0.00 0.00 0.00 176.54 177.38 1on1 h LYS 67 N 0.29 0.70 -0.87 4.80 1.57 -0.64 -0.36 116.57 122.07 1on1 h LYS 67 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1on1 h LYS 67 Cb 1.05 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 1on1 h LYS 67 CO 0.09 0.85 0.55 0.87 -0.57 0.00 0.00 179.45 181.25 1on1 h LYS 68 N 0.50 1.17 -0.34 3.15 1.57 -1.16 -0.75 116.57 120.72 1on1 h LYS 68 Ca 0.09 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1on1 h LYS 68 Cb 0.59 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1on1 h LYS 68 CO 0.04 0.80 -0.10 0.82 -0.57 0.00 0.00 179.45 180.43 1on1 h ILE 69 N 1.19 1.28 -0.42 1.86 1.08 -1.40 -2.31 117.51 118.79 1on1 h ILE 69 Ca 0.32 -1.17 0.02 0.00 -0.39 0.00 0.00 64.86 63.63 1on1 h ILE 69 Cb -0.09 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 1on1 h ILE 69 CO -0.06 0.38 0.25 1.23 -0.69 0.00 0.00 178.15 179.25 1on1 h GLY 70 N 0.44 0.59 1.01 5.37 0.00 -0.61 0.97 103.07 110.85 1on1 h GLY 70 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1on1 h GLY 70 CO 0.04 0.16 0.58 1.70 0.00 0.00 0.00 176.54 179.01 1on1 h LYS 71 N 0.50 1.23 -0.53 4.80 3.64 -1.11 -0.83 116.57 124.28 1on1 h LYS 71 Ca 0.17 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1on1 h LYS 71 Cb 0.01 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1on1 h LYS 71 CO -0.08 0.85 0.11 0.00 -2.27 0.00 0.00 179.45 178.06 1on1 h ARG 72 N 1.26 0.85 -0.62 1.90 2.47 -0.81 -1.35 114.38 118.08 1on1 h ARG 72 Ca 0.33 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 58.75 1on1 h ARG 72 Cb -0.09 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 1on1 h ARG 72 CO -0.07 0.82 0.05 -0.07 0.56 0.00 0.00 179.97 181.26 1on1 h LEU 73 N 0.74 1.03 -0.51 3.04 3.38 -0.29 -0.23 115.31 122.47 1on1 h LEU 73 Ca 0.16 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1on1 h LEU 73 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1on1 h LEU 73 CO 0.01 1.05 -0.06 0.58 0.09 0.00 0.00 178.44 180.11 1on1 h VAL 74 N 0.98 1.27 -0.56 1.22 2.07 -1.07 -0.56 116.25 119.60 1on1 h VAL 74 Ca 0.18 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1on1 h VAL 74 Cb 0.50 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1on1 h VAL 74 CO 0.02 0.42 0.37 0.22 0.02 0.00 0.00 177.57 178.62 1on1 h TYR 75 N 0.81 0.70 -0.47 1.57 3.20 -0.94 -0.71 116.97 121.12 1on1 h TYR 75 Ca 0.14 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1on1 h TYR 75 Cb 0.61 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1on1 h TYR 75 CO 0.04 0.43 0.01 0.00 -1.64 0.00 0.00 178.16 177.00 1on1 h ARG 76 N 0.75 0.83 -0.09 1.82 3.08 -0.81 -0.43 114.38 119.53 1on1 h ARG 76 Ca 0.21 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1on1 h ARG 76 Cb -0.07 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1on1 h ARG 76 CO -0.05 0.88 0.06 1.25 -1.07 0.00 0.00 179.97 181.03 1on1 h HIS 77 N 0.69 0.12 -0.60 3.04 2.76 -0.77 -1.21 115.15 119.18 1on1 h HIS 77 Ca 0.13 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1on1 h HIS 77 Cb 0.50 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 1on1 h HIS 77 CO 0.04 0.11 0.36 0.93 -1.30 0.00 0.00 177.93 178.07 1on1 h GLU 78 N 0.09 0.81 -0.74 5.26 4.39 -1.04 -1.70 114.58 121.65 1on1 h GLU 78 Ca 0.03 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1on1 h GLU 78 Cb 0.03 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1on1 h GLU 78 CO -0.01 0.59 0.38 1.25 -1.16 0.00 0.00 179.01 180.06 1on1 h LEU 79 N 0.81 0.96 -0.81 1.33 5.85 -0.89 -1.62 115.31 120.92 1on1 h LEU 79 Ca 0.21 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1on1 h LEU 79 Cb -0.01 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1on1 h LEU 79 CO -0.04 0.81 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.67 1on1 h LEU 80 N 1.04 0.74 -0.62 2.25 3.38 -0.92 0.10 115.31 121.28 1on1 h LEU 80 Ca 0.26 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1on1 h LEU 80 Cb 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1on1 h LEU 80 CO -0.04 0.89 -0.04 -0.33 0.09 0.00 0.00 178.44 179.01 1on1 h GLU 81 N 0.67 1.05 -0.65 1.13 5.08 -1.02 -1.60 114.58 119.24 1on1 h GLU 81 Ca 0.11 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1on1 h GLU 81 Cb 0.61 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1on1 h GLU 81 CO 0.04 1.05 0.13 0.37 -1.00 0.00 0.00 179.01 179.59 1on1 h GLN 82 N 0.94 1.05 0.29 2.33 5.75 -0.91 0.04 115.11 124.61 1on1 h GLN 82 Ca 0.16 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1on1 h GLN 82 Cb 0.60 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1on1 h GLN 82 CO 0.04 0.95 -0.14 0.35 -2.65 0.00 0.00 178.83 177.38 1on1 h PHE 83 N 0.99 -0.36 -0.33 3.99 3.57 -0.72 0.80 116.94 124.88 1on1 h PHE 83 Ca 0.20 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1on1 h PHE 83 Cb 0.40 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1on1 h PHE 83 CO 0.03 -0.19 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.81 1on1 h LEU 84 N -0.45 0.49 -0.12 0.59 3.38 -1.16 -1.95 115.31 116.09 1on1 h LEU 84 Ca -0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1on1 h LEU 84 Cb 0.34 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1on1 h LEU 84 CO 0.07 0.59 -0.02 -0.09 0.09 0.00 0.00 178.44 179.08 1on1 h ARG 85 N 0.49 0.23 -0.98 1.13 2.43 -0.81 -1.03 114.38 115.83 1on1 h ARG 85 Ca 0.10 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1on1 h ARG 85 Cb 0.39 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1on1 h ARG 85 CO 0.02 0.50 0.65 0.82 -1.51 0.00 0.00 179.97 180.45 1on1 h ILE 86 N -0.07 1.19 -0.06 1.20 2.04 -0.58 -1.30 117.51 119.93 1on1 h ILE 86 Ca 0.03 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1on1 h ILE 86 Cb 0.41 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1on1 h ILE 86 CO 0.01 0.23 0.00 2.30 0.00 0.00 0.00 178.15 180.69 1on1 n ILE 87 N -4.43 0.07 -0.41 -0.67 -5.35 -0.76 -4.91 119.36 102.91 1on1 n ILE 87 Ca 0.13 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1on1 n ILE 87 Cb 0.08 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 1on1 n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1on1 n GLY 88 N 0.80 0.77 3.77 3.28 0.00 -0.49 -5.05 105.19 108.27 1on1 n GLY 88 Ca 0.11 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1on1 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1on1 s VAL 89 N -2.00 2.69 0.13 1.61 1.01 -0.41 -4.90 120.40 118.54 1on1 s VAL 89 Ca 0.00 0.65 -0.34 0.00 0.00 0.00 0.00 61.98 62.29 1on1 s VAL 89 Cb 0.00 -3.39 -0.13 0.00 0.00 0.00 0.00 36.38 32.85 1on1 s VAL 89 CO 0.00 0.12 1.62 0.47 0.00 0.00 0.00 175.10 177.31 1on1 n ASP 90 N 0.41 3.18 -0.29 3.32 10.43 -1.26 -4.71 116.55 127.62 1on1 n ASP 90 Ca 0.02 1.07 0.12 0.00 2.57 0.00 0.00 54.79 58.56 1on1 n ASP 90 Cb 0.43 -1.43 0.28 0.00 1.84 0.00 0.00 41.12 42.24 1on1 n ASP 90 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1on1 h GLU 91 N 6.37 0.35 0.00 -1.24 4.57 -1.96 -0.92 114.58 121.76 1on1 h GLU 91 Ca -0.45 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1on1 h GLU 91 Cb 1.25 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1on1 h GLU 91 CO 0.90 0.23 -0.02 0.93 -1.18 0.00 0.00 179.01 179.87 1on1 h GLU 92 N 0.36 0.00 0.00 1.92 5.08 -2.03 -2.63 114.58 117.28 1on1 h GLU 92 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1on1 h GLU 92 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1on1 h GLU 92 CO -0.53 0.02 -0.99 1.63 -1.00 0.00 0.00 179.01 178.14 1on1 n LYS 93 N -3.34 0.30 0.05 2.33 5.02 -0.35 -4.51 118.16 117.67 1on1 n LYS 93 Ca -0.02 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 1on1 n LYS 93 Cb 0.13 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 1on1 n LYS 93 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1on1 h ILE 94 N 0.00 0.85 -0.07 -0.18 2.04 -1.41 -3.00 117.51 115.74 1on1 h ILE 94 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1on1 h ILE 94 Cb 0.74 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1on1 h ILE 94 CO 0.00 0.00 -0.21 0.22 0.00 0.00 0.00 178.15 178.16 1on1 h TYR 95 N -0.11 -0.55 -0.60 1.37 3.20 -1.79 -0.69 116.97 117.81 1on1 h TYR 95 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1on1 h TYR 95 Cb 0.13 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1on1 h TYR 95 CO -0.12 -0.29 0.31 -0.91 -1.64 0.00 0.00 178.16 175.51 1on1 h ASN 96 N -0.30 0.74 -0.21 -2.11 2.35 -1.85 -0.38 115.58 113.83 1on1 h ASN 96 Ca 0.08 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1on1 h ASN 96 Cb 0.41 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1on1 h ASN 96 CO -0.24 0.61 -0.01 0.44 -1.65 0.00 0.00 177.43 176.57 1on1 h ASP 97 N 0.83 0.37 -0.47 5.81 5.19 -1.30 -2.59 116.42 124.26 1on1 h ASP 97 Ca 0.21 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1on1 h ASP 97 Cb 0.04 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 1on1 h ASP 97 CO -0.03 0.60 0.31 0.58 -3.12 0.00 0.00 179.24 177.58 1on1 h VAL 98 N 0.12 1.12 -0.55 -1.35 2.07 -0.70 -2.22 116.25 114.74 1on1 h VAL 98 Ca 0.06 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.42 1on1 h VAL 98 Cb 0.42 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1on1 h VAL 98 CO 0.01 0.12 0.37 -0.33 0.02 0.00 0.00 177.57 177.76 1on1 h GLU 99 N 0.63 0.42 0.00 1.57 4.39 -1.01 -0.42 114.58 120.16 1on1 h GLU 99 Ca 0.17 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1on1 h GLU 99 Cb -0.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1on1 h GLU 99 CO -0.04 0.28 -0.61 0.78 -1.16 0.00 0.00 179.01 178.26 1on1 h GLY 100 N 0.43 0.00 0.00 -3.84 0.00 -1.03 -3.39 103.07 95.24 1on1 h GLY 100 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1on1 h GLY 100 CO -0.07 0.00 -1.38 0.29 0.00 0.00 0.00 176.54 175.39 1on1 n ILE 101 N -2.41 0.02 -0.25 2.60 -5.35 -0.88 -4.75 119.36 108.33 1on1 n ILE 101 Ca 0.03 -0.19 0.12 0.00 -0.27 0.00 0.00 62.75 62.43 1on1 n ILE 101 Cb 0.48 0.27 0.38 0.00 -1.74 0.00 0.00 39.64 39.04 1on1 n ILE 101 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 1on1 h GLU 102 N 0.00 0.66 -0.18 6.28 4.11 -1.28 -1.40 114.58 122.78 1on1 h GLU 102 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1on1 h GLU 102 Cb 0.41 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1on1 h GLU 102 CO 0.00 0.44 0.00 0.72 0.07 0.00 0.00 179.01 180.24 1on1 n HIS 103 N -4.54 0.23 -0.32 2.06 8.25 -1.26 -3.83 115.22 115.80 1on1 n HIS 103 Ca 0.16 -0.11 0.04 0.00 -0.26 0.00 0.00 57.72 57.55 1on1 n HIS 103 Cb 0.45 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.63 1on1 n HIS 103 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1on1 n HIS 104 N 0.30 0.14 -4.35 4.41 8.25 -0.53 -4.83 115.22 118.60 1on1 n HIS 104 Ca 0.16 -0.63 -0.35 0.00 -0.26 0.00 0.00 57.72 56.64 1on1 n HIS 104 Cb 0.31 -0.08 -0.09 0.00 1.12 0.00 0.00 29.99 31.24 1on1 n HIS 104 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1on1 s LEU 105 N -1.51 3.60 0.74 2.41 1.43 -1.20 -5.10 118.68 119.04 1on1 s LEU 105 Ca 0.14 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1on1 s LEU 105 Cb 0.10 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.53 1on1 s LEU 105 CO 0.04 0.37 1.07 -0.94 0.23 0.00 0.00 176.35 177.12 1on1 s SER 106 N -0.81 4.94 0.37 2.29 1.04 -1.26 -4.86 113.70 115.42 1on1 s SER 106 Ca 0.12 1.59 0.06 0.00 0.48 0.00 0.00 55.95 58.21 1on1 s SER 106 Cb -0.11 -2.40 0.73 0.00 0.10 0.00 0.00 66.02 64.33 1on1 s SER 106 CO 0.02 -1.72 1.94 -0.50 0.98 0.00 0.00 173.24 173.96 1on1 h TRP 107 N -0.91 0.46 -0.20 5.02 4.06 -1.99 -1.27 115.95 121.12 1on1 h TRP 107 Ca -0.45 -0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.49 1on1 h TRP 107 Cb 1.23 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.23 1on1 h TRP 107 CO 0.57 0.43 0.08 -0.97 -3.56 0.00 0.00 178.44 174.99 1on1 h ASN 108 N 0.45 0.09 -0.65 -3.49 -1.24 -1.99 0.67 115.58 109.43 1on1 h ASN 108 Ca 0.11 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.10 1on1 h ASN 108 Cb 0.22 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.24 1on1 h ASN 108 CO 0.00 0.08 0.26 0.28 -1.29 0.00 0.00 177.43 176.76 1on1 h SER 109 N 0.17 0.89 -0.28 1.15 0.02 -1.78 -1.28 113.55 112.45 1on1 h SER 109 Ca 0.09 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1on1 h SER 109 Cb 0.05 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1on1 h SER 109 CO -0.08 0.82 0.19 0.40 -1.14 0.00 0.00 176.83 177.01 1on1 h ILE 110 N 0.91 1.08 -0.26 3.27 1.08 -0.77 -0.35 117.51 122.46 1on1 h ILE 110 Ca 0.22 -0.14 -0.08 0.00 -0.39 0.00 0.00 64.86 64.46 1on1 h ILE 110 Cb 0.20 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1on1 h ILE 110 CO -0.02 0.07 -0.19 0.44 -0.69 0.00 0.00 178.15 177.77 1on1 h ASP 111 N 0.38 0.46 0.38 1.72 3.32 -0.68 0.02 116.42 122.02 1on1 h ASP 111 Ca 0.10 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1on1 h ASP 111 Cb -0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1on1 h ASP 111 CO -0.02 0.66 -0.55 0.03 -1.72 0.00 0.00 179.24 177.64 1on1 h ARG 112 N 0.42 0.18 -0.17 3.56 2.47 -0.90 -1.31 114.38 118.63 1on1 h ARG 112 Ca 0.07 -0.11 -0.13 0.00 -1.26 0.00 0.00 59.98 58.55 1on1 h ARG 112 Cb 0.57 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 1on1 h ARG 112 CO 0.04 0.68 -0.46 0.82 0.56 0.00 0.00 179.97 181.61 1on1 h ILE 113 N 0.14 1.32 -0.70 2.04 2.04 -0.52 -1.20 117.51 120.62 1on1 h ILE 113 Ca -0.00 -1.66 -0.05 0.00 1.00 0.00 0.00 64.86 64.15 1on1 h ILE 113 Cb 1.01 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1on1 h ILE 113 CO 0.08 0.51 0.25 1.23 0.00 0.00 0.00 178.15 180.23 1on1 h GLY 114 N 1.16 1.14 1.47 5.37 0.00 -0.46 -0.42 103.07 111.32 1on1 h GLY 114 Ca 0.02 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1on1 h GLY 114 CO 0.08 0.61 -0.13 -0.55 0.00 0.00 0.00 176.54 176.55 1on1 h ASP 115 N 1.01 0.62 -0.40 0.19 3.32 -0.91 -1.79 116.42 118.46 1on1 h ASP 115 Ca 0.23 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1on1 h ASP 115 Cb 0.25 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1on1 h ASP 115 CO -0.01 0.78 0.09 0.25 -1.72 0.00 0.00 179.24 178.63 1on1 h LEU 116 N 0.58 0.62 -0.83 1.55 5.85 -0.69 0.88 115.31 123.28 1on1 h LEU 116 Ca 0.10 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1on1 h LEU 116 Cb 0.56 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1on1 h LEU 116 CO 0.04 0.70 0.44 0.58 -0.34 0.00 0.00 178.44 179.86 1on1 h VAL 117 N 0.51 1.25 -0.54 1.05 2.07 -0.88 -2.01 116.25 117.70 1on1 h VAL 117 Ca 0.13 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1on1 h VAL 117 Cb 0.33 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1on1 h VAL 117 CO 0.00 0.28 0.06 -0.61 0.02 0.00 0.00 177.57 177.32 1on1 h GLN 118 N 1.15 0.88 -0.43 1.57 5.75 -0.94 -1.76 115.11 121.33 1on1 h GLN 118 Ca 0.29 -0.22 0.05 0.00 -0.15 0.00 0.00 58.65 58.62 1on1 h GLN 118 Cb 0.05 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.44 1on1 h GLN 118 CO -0.04 0.83 0.16 -0.92 -2.65 0.00 0.00 178.83 176.21 1on1 h TYR 119 N 0.83 0.28 0.00 3.99 3.20 -0.11 -2.29 116.97 122.86 1on1 h TYR 119 Ca 0.17 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.93 1on1 h TYR 119 Cb 0.41 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1on1 h TYR 119 CO 0.02 0.11 -0.60 0.74 -1.64 0.00 0.00 178.16 176.79 1on1 h PHE 120 N 0.33 0.00 0.00 -3.82 -1.00 -1.21 -3.25 116.94 107.99 1on1 h PHE 120 Ca 0.20 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.98 1on1 h PHE 120 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1on1 h PHE 120 CO -0.15 0.60 0.00 0.93 -1.61 0.00 0.00 178.31 178.08 1on1 h GLU 121 N 0.00 0.00 -0.00 1.51 4.39 -0.85 -3.21 114.58 116.42 1on1 h GLU 121 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1on1 h GLU 121 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1on1 h GLU 121 CO 0.08 0.00 -0.38 -0.85 -1.16 0.00 0.00 179.01 176.70 1on1 n GLU 122 N -2.86 0.45 -3.26 2.33 0.28 -0.91 -4.75 120.64 111.93 1on1 n GLU 122 Ca 0.03 -0.26 -0.04 0.00 -0.16 0.00 0.00 57.16 56.72 1on1 n GLU 122 Cb 0.40 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.73 1on1 n GLU 122 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1on1 s ASP 123 N -2.73 -0.36 0.66 -1.84 -1.08 -1.21 -5.02 116.67 105.09 1on1 s ASP 123 Ca 0.18 0.06 0.38 0.00 -0.52 0.00 0.00 52.55 52.65 1on1 s ASP 123 Cb 0.18 1.47 2.12 0.00 -1.46 0.00 0.00 42.92 45.23 1on1 s ASP 123 CO 0.61 -0.32 2.22 0.44 0.52 0.00 0.00 175.17 178.64 1on1 h ASP 124 N 8.11 0.00 0.29 -0.34 5.19 -1.86 -0.39 116.42 127.42 1on1 h ASP 124 Ca -0.11 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.24 1on1 h ASP 124 Cb 1.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 1on1 h ASP 124 CO 0.24 0.00 -0.29 0.00 -3.12 0.00 0.00 179.24 176.07 1on1 h ALA 125 N 1.80 1.52 -0.38 3.45 0.00 -1.95 -1.71 119.26 121.98 1on1 h ALA 125 Ca 0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1on1 h ALA 125 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1on1 h ALA 125 CO -0.00 0.36 -0.15 0.00 0.00 0.00 0.00 179.25 179.47 1on1 h ARG 126 N 0.00 0.77 -0.66 0.00 3.08 -1.38 -0.08 114.38 116.11 1on1 h ARG 126 Ca -0.00 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 1on1 h ARG 126 Cb 0.52 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1on1 h ARG 126 CO 0.04 0.94 0.34 0.87 -1.07 0.00 0.00 179.97 181.09 1on1 h LYS 127 N 0.57 0.93 -0.56 0.04 1.57 -1.49 -0.53 116.57 117.10 1on1 h LYS 127 Ca 0.09 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1on1 h LYS 127 Cb 0.69 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1on1 h LYS 127 CO 0.05 0.71 0.06 0.87 -0.57 0.00 0.00 179.45 180.57 1on1 h LYS 128 N 0.90 0.94 -0.67 3.15 1.57 -1.15 -0.08 116.57 121.22 1on1 h LYS 128 Ca 0.23 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1on1 h LYS 128 Cb 0.07 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1on1 h LYS 128 CO -0.03 0.92 0.25 -0.44 -0.57 0.00 0.00 179.45 179.58 1on1 h ASP 129 N 0.83 0.93 -0.50 0.86 3.32 -0.65 0.27 116.42 121.46 1on1 h ASP 129 Ca 0.16 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1on1 h ASP 129 Cb 0.46 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1on1 h ASP 129 CO 0.02 0.84 -0.15 0.25 -1.72 0.00 0.00 179.24 178.47 1on1 h LEU 130 N 0.98 1.01 -1.15 1.55 5.85 -0.80 -2.76 115.31 119.99 1on1 h LEU 130 Ca 0.22 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1on1 h LEU 130 Cb 0.22 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1on1 h LEU 130 CO -0.02 1.15 0.13 0.50 -0.34 0.00 0.00 178.44 179.87 1on1 h LYS 131 N 0.86 0.73 -0.57 1.25 1.63 -0.39 -2.21 116.57 117.87 1on1 h LYS 131 Ca 0.12 -0.13 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1on1 h LYS 131 Cb 0.73 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.21 1on1 h LYS 131 CO 0.06 0.65 0.17 0.77 -3.45 0.00 0.00 179.45 177.64 1on1 h SER 132 N 0.71 0.80 -0.50 4.20 0.02 -0.71 -2.27 113.55 115.80 1on1 h SER 132 Ca 0.16 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 1on1 h SER 132 Cb 0.24 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1on1 h SER 132 CO -0.01 0.76 0.04 0.40 -1.14 0.00 0.00 176.83 176.89 1on1 h ILE 133 N 0.83 1.25 -0.26 3.27 2.04 -1.13 -2.00 117.51 121.51 1on1 h ILE 133 Ca 0.19 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1on1 h ILE 133 Cb 0.26 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1on1 h ILE 133 CO -0.01 0.37 0.02 1.56 0.00 0.00 0.00 178.15 180.09 1on1 h GLN 134 N 0.85 0.38 -0.29 2.37 4.20 -1.11 -2.24 115.11 119.28 1on1 h GLN 134 Ca 0.17 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1on1 h GLN 134 Cb 0.45 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1on1 h GLN 134 CO 0.02 0.40 -0.04 0.87 -0.67 0.00 0.00 178.83 179.40 1on1 h LYS 135 N 0.38 0.54 0.00 1.46 1.79 -0.92 -3.52 116.57 116.31 1on1 h LYS 135 Ca 0.09 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1on1 h LYS 135 Cb 0.22 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1on1 h LYS 135 CO 0.00 0.72 0.00 1.63 -1.08 0.00 0.00 179.45 180.73