#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5d s THR 3 N 0.00 4.59 0.21 12.58 -4.23 -1.26 -4.98 115.64 122.55 2f5d s THR 3 Ca 0.00 -0.84 -0.09 0.00 -1.18 0.00 0.00 61.69 59.57 2f5d s THR 3 Cb 0.00 -3.63 0.15 0.00 1.34 0.00 0.00 72.50 70.36 2f5d s THR 3 CO 0.00 -0.30 1.83 -0.65 -0.54 0.00 0.00 174.62 174.97 2f5d h PRO 4 N 0.89 0.79 -0.24 3.99 0.11 -1.99 -0.55 132.00 134.99 2f5d h PRO 4 Ca -0.48 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.43 2f5d h PRO 4 Cb 1.24 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2f5d h PRO 4 CO 0.57 0.52 -0.45 1.03 -0.21 0.00 0.00 178.00 179.46 2f5d h SER 5 N 0.81 0.66 -0.71 -2.05 0.87 -1.99 -1.66 113.55 109.47 2f5d h SER 5 Ca 0.29 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 2f5d h SER 5 Cb 0.09 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 2f5d h SER 5 CO -0.14 1.01 0.29 -0.03 -0.53 0.00 0.00 176.83 177.43 2f5d h MET 6 N 0.49 1.08 -0.42 2.24 -1.53 -1.83 -1.65 114.93 113.31 2f5d h MET 6 Ca 0.03 -0.19 -0.08 0.00 -3.44 0.00 0.00 59.70 56.02 2f5d h MET 6 Cb 0.97 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 31.82 2f5d h MET 6 CO 0.09 0.88 -0.07 0.93 0.14 0.00 0.00 176.91 178.88 2f5d h GLU 7 N 1.06 0.73 -0.66 0.39 5.08 -0.79 -1.84 114.58 118.54 2f5d h GLU 7 Ca 0.24 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2f5d h GLU 7 Cb 0.20 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2f5d h GLU 7 CO -0.02 0.79 0.27 -0.44 -1.00 0.00 0.00 179.01 178.60 2f5d h ASP 8 N 0.67 0.89 -0.12 1.42 3.45 -0.53 -1.06 116.42 121.13 2f5d h ASP 8 Ca 0.12 -0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 2f5d h ASP 8 Cb 0.52 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 2f5d h ASP 8 CO 0.03 0.79 -0.07 1.88 -1.57 0.00 0.00 179.24 180.30 2f5d h TYR 9 N 0.95 0.31 -0.56 4.55 -1.99 -0.86 -2.25 116.97 117.12 2f5d h TYR 9 Ca 0.22 -0.08 0.01 0.00 2.00 0.00 0.00 58.73 60.88 2f5d h TYR 9 Cb 0.18 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.81 2f5d h TYR 9 CO 0.01 0.62 0.37 0.82 -0.00 0.00 0.00 178.16 179.98 2f5d h ILE 10 N -0.09 1.13 -0.47 -2.88 2.04 -1.19 -0.46 117.51 115.60 2f5d h ILE 10 Ca 0.03 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2f5d h ILE 10 Cb 0.55 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2f5d h ILE 10 CO 0.02 0.14 0.29 -0.08 0.00 0.00 0.00 178.15 178.51 2f5d h GLU 11 N 0.74 0.56 -0.38 2.37 4.81 -1.20 -1.73 114.58 119.76 2f5d h GLU 11 Ca 0.21 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2f5d h GLU 11 Cb -0.08 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 2f5d h GLU 11 CO -0.05 0.37 0.01 1.96 -0.73 0.00 0.00 179.01 180.57 2f5d h GLN 12 N 0.58 0.66 -0.63 1.92 1.08 -1.04 -2.49 115.11 115.19 2f5d h GLN 12 Ca 0.18 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2f5d h GLN 12 Cb -0.01 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 2f5d h GLN 12 CO -0.07 0.75 0.34 0.82 -0.95 0.00 0.00 178.83 179.72 2f5d h ILE 13 N 0.48 1.20 -0.49 2.54 2.04 -0.98 -1.86 117.51 120.43 2f5d h ILE 13 Ca 0.11 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.47 2f5d h ILE 13 Cb 0.45 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2f5d h ILE 13 CO 0.02 0.22 0.31 0.22 0.00 0.00 0.00 178.15 178.92 2f5d h TYR 14 N 0.85 0.59 -0.43 1.37 3.20 -1.24 -1.80 116.97 119.51 2f5d h TYR 14 Ca 0.22 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 2f5d h TYR 14 Cb 0.05 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2f5d h TYR 14 CO -0.01 0.36 -0.09 0.52 -1.64 0.00 0.00 178.16 177.30 2f5d h MET 15 N 0.64 0.76 -0.47 1.82 2.86 -1.20 -2.12 114.93 117.21 2f5d h MET 15 Ca 0.19 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 2f5d h MET 15 Cb -0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2f5d h MET 15 CO -0.06 0.83 -0.04 -0.07 1.06 0.00 0.00 176.91 178.63 2f5d h LEU 16 N 0.69 0.85 -0.77 1.22 3.38 -1.07 0.85 115.31 120.46 2f5d h LEU 16 Ca 0.12 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2f5d h LEU 16 Cb 0.56 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2f5d h LEU 16 CO 0.03 0.97 0.36 0.40 0.09 0.00 0.00 178.44 180.30 2f5d h ILE 17 N 0.70 1.25 -0.28 1.22 2.04 -1.19 0.32 117.51 121.57 2f5d h ILE 17 Ca 0.13 -0.70 -0.14 0.00 1.00 0.00 0.00 64.86 65.15 2f5d h ILE 17 Cb 0.56 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2f5d h ILE 17 CO 0.03 0.30 -0.40 -0.33 0.00 0.00 0.00 178.15 177.75 2f5d h GLU 18 N 1.09 0.65 0.09 2.37 4.39 -1.16 0.95 114.58 122.96 2f5d h GLU 18 Ca 0.26 -0.33 -0.17 0.00 0.34 0.00 0.00 59.36 59.46 2f5d h GLU 18 Cb 0.13 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2f5d h GLU 18 CO -0.03 0.94 -0.81 0.93 -1.16 0.00 0.00 179.01 178.87 2f5d h GLU 19 N 0.54 0.18 0.00 2.33 5.08 -0.56 -3.41 114.58 118.74 2f5d h GLU 19 Ca 0.05 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 2f5d h GLU 19 Cb 0.92 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2f5d h GLU 19 CO 0.08 1.15 -2.01 1.63 -1.00 0.00 0.00 179.01 178.86 2f5d n LYS 20 N -4.22 0.84 0.00 2.33 5.02 0.11 -5.00 118.16 117.23 2f5d n LYS 20 Ca -0.18 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 2f5d n LYS 20 Cb 0.75 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 2f5d n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f5d n GLY 21 N 1.66 0.47 3.71 0.72 0.00 0.33 -5.02 105.19 107.06 2f5d n GLY 21 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2f5d n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2f5d s TYR 22 N -2.00 -0.27 -0.21 1.61 -0.85 -1.25 -4.88 117.35 109.51 2f5d s TYR 22 Ca 0.00 -0.08 -0.00 0.00 -0.52 0.00 0.00 57.07 56.47 2f5d s TYR 22 Cb 0.00 0.65 0.06 0.00 0.38 0.00 0.00 41.96 43.04 2f5d s TYR 22 CO 0.00 -1.01 -0.04 0.00 -1.52 0.00 0.00 175.55 172.98 2f5d s ALA 23 N -3.69 1.65 0.18 9.51 0.00 -1.26 -3.84 121.76 124.31 2f5d s ALA 23 Ca 0.09 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 2f5d s ALA 23 Cb -0.04 -1.30 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 2f5d s ALA 23 CO 0.00 -1.09 0.43 1.03 0.00 0.00 0.00 175.76 176.14 2f5d s ARG 24 N 1.55 3.65 0.29 0.00 0.52 -1.26 -3.92 118.95 119.78 2f5d s ARG 24 Ca -0.03 -0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.13 2f5d s ARG 24 Cb -0.18 -2.79 0.45 0.00 0.52 0.00 0.00 34.95 32.96 2f5d s ARG 24 CO -0.07 0.41 1.92 0.28 0.02 0.00 0.00 175.30 177.86 2f5d h VAL 25 N 1.92 1.13 -0.29 3.52 2.07 -2.00 -1.93 116.25 120.68 2f5d h VAL 25 Ca -0.46 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 2f5d h VAL 25 Cb 1.17 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2f5d h VAL 25 CO 0.71 0.20 -0.24 0.77 0.02 0.00 0.00 177.57 179.03 2f5d h SER 26 N 1.12 0.56 0.15 0.57 4.64 -1.97 -1.42 113.55 117.20 2f5d h SER 26 Ca 0.37 -0.19 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 2f5d h SER 26 Cb 0.07 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2f5d h SER 26 CO -0.12 0.79 -0.53 0.44 -0.87 0.00 0.00 176.83 176.54 2f5d h ASP 27 N 0.49 0.46 -0.28 4.97 3.45 -1.82 -2.16 116.42 121.53 2f5d h ASP 27 Ca 0.07 -0.24 -0.11 0.00 0.43 0.00 0.00 57.03 57.18 2f5d h ASP 27 Cb 0.69 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 39.32 2f5d h ASP 27 CO 0.05 0.90 -0.26 0.40 -1.57 0.00 0.00 179.24 178.76 2f5d h ILE 28 N 0.32 1.30 -0.69 0.35 2.04 -1.14 -1.67 117.51 118.03 2f5d h ILE 28 Ca 0.01 -1.42 0.03 0.00 1.00 0.00 0.00 64.86 64.48 2f5d h ILE 28 Cb 1.04 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 2f5d h ILE 28 CO 0.09 0.45 0.43 0.00 0.00 0.00 0.00 178.15 179.13 2f5d h ALA 29 N 0.71 0.90 -0.21 1.87 0.00 -1.17 -1.87 119.26 119.49 2f5d h ALA 29 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2f5d h ALA 29 Cb 0.82 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2f5d h ALA 29 CO 0.07 0.20 0.02 1.49 0.00 0.00 0.00 179.25 181.02 2f5d h GLU 30 N 0.84 0.36 -0.55 0.00 4.81 -1.30 0.36 114.58 119.10 2f5d h GLU 30 Ca 0.28 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2f5d h GLU 30 Cb 0.02 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2f5d h GLU 30 CO -0.11 0.54 0.32 0.00 -0.73 0.00 0.00 179.01 179.03 2f5d h ALA 31 N 0.81 1.53 -0.10 2.92 0.00 -1.02 -2.62 119.26 120.79 2f5d h ALA 31 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2f5d h ALA 31 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2f5d h ALA 31 CO 0.01 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2f5d n LEU 32 N -4.41 3.00 -3.66 0.00 4.77 -0.73 -4.99 117.00 110.98 2f5d n LEU 32 Ca 0.05 -1.10 -0.22 0.00 -0.03 0.00 0.00 56.01 54.71 2f5d n LEU 32 Cb 0.08 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2f5d n LEU 32 CO 0.36 0.54 -0.06 0.00 -1.33 0.00 0.00 177.39 176.90 2f5d n ALA 33 N 1.31 -2.13 -2.28 -1.18 0.00 0.02 -5.00 120.51 111.25 2f5d n ALA 33 Ca 0.14 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 2f5d n ALA 33 Cb 0.57 -2.56 -0.10 0.00 0.00 0.00 0.00 19.45 17.36 2f5d n ALA 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2f5d s VAL 34 N -3.62 0.87 0.37 0.00 -7.23 -0.60 -5.04 120.40 105.13 2f5d s VAL 34 Ca 0.11 -2.01 -0.26 0.00 -1.81 0.00 0.00 61.98 58.01 2f5d s VAL 34 Cb -0.03 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 2f5d s VAL 34 CO 0.81 -0.45 1.07 -2.28 -0.31 0.00 0.00 175.10 173.95 2f5d s HIS 35 N -3.53 3.34 0.56 2.82 5.65 -1.26 -4.58 115.29 118.29 2f5d s HIS 35 Ca 0.25 1.65 0.27 0.00 0.25 0.00 0.00 55.06 57.48 2f5d s HIS 35 Cb 0.05 -3.20 1.50 0.00 -1.18 0.00 0.00 32.58 29.76 2f5d s HIS 35 CO 0.05 -0.67 2.02 -1.00 -0.65 0.00 0.00 174.74 174.49 2f5d h PRO 36 N 2.88 0.00 -0.57 2.88 0.13 -1.93 -1.21 132.00 134.17 2f5d h PRO 36 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 2f5d h PRO 36 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2f5d h PRO 36 CO 0.64 0.00 0.04 0.66 -0.23 0.00 0.00 178.00 179.11 2f5d h SER 37 N 0.00 0.96 -0.60 1.44 4.64 -1.99 0.24 113.55 118.25 2f5d h SER 37 Ca 0.17 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2f5d h SER 37 Cb 0.82 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 2f5d h SER 37 CO -0.00 1.01 0.39 0.28 -0.87 0.00 0.00 176.83 177.64 2f5d h SER 38 N 0.88 0.69 -0.10 4.97 0.02 -1.61 -1.30 113.55 117.11 2f5d h SER 38 Ca 0.17 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2f5d h SER 38 Cb 0.49 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2f5d h SER 38 CO 0.02 0.50 0.05 0.58 -1.14 0.00 0.00 176.83 176.84 2f5d h VAL 39 N 0.81 1.11 -0.92 2.27 2.07 -1.25 -2.08 116.25 118.26 2f5d h VAL 39 Ca 0.22 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.48 2f5d h VAL 39 Cb -0.09 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 2f5d h VAL 39 CO -0.05 0.10 0.59 0.74 0.02 0.00 0.00 177.57 178.98 2f5d h THR 40 N 0.03 1.06 -0.37 2.57 2.02 -0.71 0.86 112.91 118.38 2f5d h THR 40 Ca 0.03 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 2f5d h THR 40 Cb 0.12 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 2f5d h THR 40 CO -0.00 0.19 0.02 0.50 0.37 0.00 0.00 175.52 176.59 2f5d h LYS 41 N 1.03 0.64 -0.38 6.66 3.64 -1.02 -2.55 116.57 124.59 2f5d h LYS 41 Ca 0.40 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 2f5d h LYS 41 Cb 0.22 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2f5d h LYS 41 CO -0.15 0.74 -0.26 1.98 -2.27 0.00 0.00 179.45 179.48 2f5d h MET 42 N 0.46 0.79 -0.14 1.90 4.05 -0.75 -2.95 114.93 118.30 2f5d h MET 42 Ca 0.11 -0.34 -0.05 0.00 -0.28 0.00 0.00 59.70 59.14 2f5d h MET 42 Cb 0.44 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 2f5d h MET 42 CO 0.02 0.97 -0.13 0.28 0.23 0.00 0.00 176.91 178.27 2f5d h VAL 43 N 0.68 1.17 -0.16 -5.77 2.07 -0.76 -0.77 116.25 112.71 2f5d h VAL 43 Ca 0.09 -0.77 -0.14 0.00 0.82 0.00 0.00 66.70 66.70 2f5d h VAL 43 Cb 0.79 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2f5d h VAL 43 CO 0.07 0.24 -0.51 1.56 0.02 0.00 0.00 177.57 178.95 2f5d h GLN 44 N 0.21 0.45 -0.33 1.57 4.20 -1.31 -0.03 115.11 119.87 2f5d h GLN 44 Ca 0.04 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.35 2f5d h GLN 44 Cb 0.37 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2f5d h GLN 44 CO 0.02 0.85 -0.37 -0.22 -0.67 0.00 0.00 178.83 178.44 2f5d h LYS 45 N 0.35 0.76 -0.24 1.46 3.64 -1.22 -0.63 116.57 120.71 2f5d h LYS 45 Ca 0.01 -0.38 -0.13 0.00 -1.27 0.00 0.00 60.65 58.88 2f5d h LYS 45 Cb 1.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2f5d h LYS 45 CO 0.09 1.01 -0.41 -0.07 -2.27 0.00 0.00 179.45 177.80 2f5d h LEU 46 N 0.63 0.60 -0.53 5.20 3.38 -0.97 -1.55 115.31 122.07 2f5d h LEU 46 Ca 0.06 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2f5d h LEU 46 Cb 0.92 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2f5d h LEU 46 CO 0.08 0.94 0.14 -0.78 0.09 0.00 0.00 178.44 178.92 2f5d h ASP 47 N 0.47 0.80 -0.78 -0.43 3.58 -0.74 -0.92 116.42 118.40 2f5d h ASP 47 Ca 0.04 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 2f5d h ASP 47 Cb 0.92 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.72 2f5d h ASP 47 CO 0.08 0.82 0.30 0.50 -2.88 0.00 0.00 179.24 178.06 2f5d h LYS 48 N 0.74 1.18 -0.23 0.28 3.64 -0.84 -2.32 116.57 119.01 2f5d h LYS 48 Ca 0.17 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2f5d h LYS 48 Cb 0.32 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2f5d h LYS 48 CO -0.00 0.96 0.00 -0.25 -2.27 0.00 0.00 179.45 177.89 2f5d n ASP 49 N -4.27 1.08 -2.42 4.20 10.43 -0.61 -4.92 116.55 120.04 2f5d n ASP 49 Ca 0.07 -2.02 -0.19 0.00 2.57 0.00 0.00 54.79 55.22 2f5d n ASP 49 Cb 0.19 -0.15 0.02 0.00 1.84 0.00 0.00 41.12 43.02 2f5d n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2f5d n GLU 50 N 0.06 -3.16 0.08 -1.24 1.02 -0.87 -4.90 120.64 111.62 2f5d n GLU 50 Ca 0.06 0.83 0.09 0.00 -0.02 0.00 0.00 57.16 58.13 2f5d n GLU 50 Cb 0.18 -5.41 -0.03 0.00 -0.02 0.00 0.00 31.44 26.16 2f5d n GLU 50 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2f5d n TYR 51 N -4.22 0.92 -3.84 -0.32 4.02 -0.39 -4.46 117.16 108.86 2f5d n TYR 51 Ca -0.15 0.27 -0.07 0.00 -0.01 0.00 0.00 57.90 57.95 2f5d n TYR 51 Cb 0.63 -0.96 -0.01 0.00 -0.02 0.00 0.00 39.34 38.98 2f5d n TYR 51 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 2f5d s LEU 52 N -5.39 -0.17 -0.17 7.72 0.05 -1.24 -1.72 118.68 117.76 2f5d s LEU 52 Ca -0.01 -0.76 0.01 0.00 0.05 0.00 0.00 54.13 53.42 2f5d s LEU 52 Cb 0.10 2.72 0.02 0.00 -2.05 0.00 0.00 46.19 46.98 2f5d s LEU 52 CO 0.80 -1.42 -0.20 -0.63 -0.55 0.00 0.00 176.35 174.35 2f5d s ILE 53 N -3.39 2.03 -0.67 1.48 -1.09 0.33 -4.20 121.20 115.70 2f5d s ILE 53 Ca 0.13 -0.93 -0.27 0.00 -2.23 0.00 0.00 60.65 57.34 2f5d s ILE 53 Cb -0.05 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 39.02 2f5d s ILE 53 CO 0.08 0.54 1.46 -0.47 -1.23 0.00 0.00 174.94 175.32 2f5d s TYR 54 N 1.16 2.12 0.00 3.97 6.04 -1.26 -2.82 117.35 126.56 2f5d s TYR 54 Ca 0.01 0.29 0.00 0.00 0.04 0.00 0.00 57.07 57.41 2f5d s TYR 54 Cb -0.14 -4.43 0.00 0.00 -1.04 0.00 0.00 41.96 36.35 2f5d s TYR 54 CO -0.10 -2.11 0.00 0.41 -1.54 0.00 0.00 175.55 172.21 2f5d n GLY 59 N 5.43 -1.50 3.57 8.97 0.00 -1.26 -5.07 105.19 115.34 2f5d n GLY 59 Ca 0.10 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 2f5d n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f5d s LEU 60 N 0.00 4.26 -0.11 0.99 1.02 -1.25 -5.06 118.68 118.53 2f5d s LEU 60 Ca 0.00 0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.20 2f5d s LEU 60 Cb 0.00 -2.44 0.01 0.00 0.02 0.00 0.00 46.19 43.78 2f5d s LEU 60 CO 0.00 -0.32 -0.19 -0.69 0.02 0.00 0.00 176.35 175.17 2f5d s VAL 61 N 2.14 1.77 0.31 -1.59 1.01 -1.13 -4.45 120.40 118.46 2f5d s VAL 61 Ca 0.15 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2f5d s VAL 61 Cb -0.16 -1.57 -0.10 0.00 0.00 0.00 0.00 36.38 34.55 2f5d s VAL 61 CO 0.11 0.49 0.94 -0.76 0.00 0.00 0.00 175.10 175.88 2f5d s LEU 62 N 0.75 4.38 0.75 3.92 1.43 -1.26 -0.51 118.68 128.14 2f5d s LEU 62 Ca -0.10 1.84 -0.06 0.00 -1.03 0.00 0.00 54.13 54.78 2f5d s LEU 62 Cb -0.16 -3.94 0.11 0.00 0.03 0.00 0.00 46.19 42.23 2f5d s LEU 62 CO 0.01 -0.03 1.05 0.42 0.23 0.00 0.00 176.35 178.03 2f5d s THR 63 N -1.55 2.20 0.34 5.49 -4.23 -0.70 -4.79 115.64 112.39 2f5d s THR 63 Ca 0.49 -0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.66 2f5d s THR 63 Cb -0.20 -2.83 0.28 0.00 1.34 0.00 0.00 72.50 71.10 2f5d s THR 63 CO 0.25 0.00 1.95 0.77 -0.54 0.00 0.00 174.62 177.05 2f5d h SER 64 N -0.74 0.75 -0.61 3.99 4.64 -1.89 0.69 113.55 120.38 2f5d h SER 64 Ca -0.41 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 2f5d h SER 64 Cb 1.28 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2f5d h SER 64 CO 0.47 0.50 0.05 0.50 -0.87 0.00 0.00 176.83 177.48 2f5d h LYS 65 N 0.86 1.04 -0.26 4.77 3.64 -1.88 -1.34 116.57 123.40 2f5d h LYS 65 Ca 0.32 -0.31 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 2f5d h LYS 65 Cb 0.17 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2f5d h LYS 65 CO -0.10 1.00 -0.37 0.78 -2.27 0.00 0.00 179.45 178.49 2f5d h GLY 66 N 0.94 0.63 1.05 5.01 0.00 -1.28 -2.34 103.07 107.08 2f5d h GLY 66 Ca 0.18 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 2f5d h GLY 66 CO 0.02 0.55 -0.16 0.50 0.00 0.00 0.00 176.54 177.45 2f5d h LYS 67 N 0.49 0.90 0.06 4.80 1.57 -0.73 -0.42 116.57 123.23 2f5d h LYS 67 Ca 0.05 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2f5d h LYS 67 Cb 0.86 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2f5d h LYS 67 CO 0.07 1.02 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.73 2f5d h LYS 68 N 0.74 -0.07 -0.42 3.15 3.64 -1.16 -1.27 116.57 121.17 2f5d h LYS 68 Ca 0.11 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 2f5d h LYS 68 Cb 0.72 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2f5d h LYS 68 CO 0.05 0.01 -0.15 0.82 -2.27 0.00 0.00 179.45 177.91 2f5d h ILE 69 N -0.14 1.28 -0.28 2.00 1.08 -1.43 -2.48 117.51 117.54 2f5d h ILE 69 Ca -0.01 -1.28 0.04 0.00 -0.39 0.00 0.00 64.86 63.22 2f5d h ILE 69 Cb 0.12 1.22 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 2f5d h ILE 69 CO 0.01 0.43 0.06 1.23 -0.69 0.00 0.00 178.15 179.20 2f5d h GLY 70 N 0.67 0.33 0.85 5.37 0.00 -1.00 0.05 103.07 109.34 2f5d h GLY 70 Ca 0.10 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.44 2f5d h GLY 70 CO 0.05 -0.01 0.48 1.70 0.00 0.00 0.00 176.54 178.76 2f5d h LYS 71 N 0.17 0.90 -0.59 4.80 3.64 -1.17 -1.41 116.57 122.90 2f5d h LYS 71 Ca 0.13 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2f5d h LYS 71 Cb 0.13 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2f5d h LYS 71 CO -0.17 0.59 0.33 0.00 -2.27 0.00 0.00 179.45 177.93 2f5d h ARG 72 N 0.92 0.82 -0.32 1.90 2.47 -0.91 -1.50 114.38 117.75 2f5d h ARG 72 Ca 0.31 -0.09 -0.13 0.00 -1.26 0.00 0.00 59.98 58.81 2f5d h ARG 72 Cb 0.04 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 2f5d h ARG 72 CO -0.12 0.62 -0.31 -0.07 0.56 0.00 0.00 179.97 180.65 2f5d h LEU 73 N 0.80 0.72 -0.47 3.04 3.38 -0.52 -1.05 115.31 121.21 2f5d h LEU 73 Ca 0.21 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2f5d h LEU 73 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2f5d h LEU 73 CO -0.03 0.98 -0.25 0.58 0.09 0.00 0.00 178.44 179.81 2f5d h VAL 74 N 0.59 1.27 -0.35 1.22 2.07 -1.14 -1.49 116.25 118.43 2f5d h VAL 74 Ca 0.07 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.19 2f5d h VAL 74 Cb 0.82 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2f5d h VAL 74 CO 0.07 0.49 0.18 0.22 0.02 0.00 0.00 177.57 178.55 2f5d h TYR 75 N 0.85 0.34 -0.54 1.57 3.20 -1.05 -1.21 116.97 120.12 2f5d h TYR 75 Ca 0.10 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2f5d h TYR 75 Cb 0.83 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 2f5d h TYR 75 CO 0.06 0.19 0.34 -0.09 -1.64 0.00 0.00 178.16 177.02 2f5d h ARG 76 N 0.37 0.73 0.20 1.82 2.43 -1.02 0.08 114.38 118.99 2f5d h ARG 76 Ca 0.14 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2f5d h ARG 76 Cb 0.04 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2f5d h ARG 76 CO -0.09 0.50 -0.10 1.25 -1.51 0.00 0.00 179.97 180.02 2f5d h HIS 77 N 0.73 -0.25 -0.98 2.20 2.76 -0.95 -2.16 115.15 116.51 2f5d h HIS 77 Ca 0.20 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2f5d h HIS 77 Cb -0.05 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 28.94 2f5d h HIS 77 CO -0.03 -0.13 0.63 0.93 -1.30 0.00 0.00 177.93 178.03 2f5d h GLU 78 N -0.30 1.29 -0.26 5.26 4.39 -1.06 -1.68 114.58 122.23 2f5d h GLU 78 Ca -0.03 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2f5d h GLU 78 Cb 0.23 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2f5d h GLU 78 CO 0.05 0.87 0.13 1.25 -1.16 0.00 0.00 179.01 180.14 2f5d h LEU 79 N 1.33 0.34 -0.97 1.33 5.85 -0.86 -1.88 115.31 120.45 2f5d h LEU 79 Ca 0.36 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 2f5d h LEU 79 Cb -0.13 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2f5d h LEU 79 CO -0.07 0.36 0.05 -0.07 -0.34 0.00 0.00 178.44 178.36 2f5d h LEU 80 N 0.30 0.76 -0.35 2.25 3.38 -1.13 -0.03 115.31 120.49 2f5d h LEU 80 Ca 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2f5d h LEU 80 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2f5d h LEU 80 CO -0.01 0.79 0.11 -0.33 0.09 0.00 0.00 178.44 179.09 2f5d h GLU 81 N 0.75 0.54 -0.84 1.13 5.08 -1.17 -1.88 114.58 118.20 2f5d h GLU 81 Ca 0.15 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2f5d h GLU 81 Cb 0.39 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2f5d h GLU 81 CO 0.01 0.57 0.56 1.96 -1.00 0.00 0.00 179.01 181.11 2f5d h GLN 82 N 0.41 1.09 0.15 2.33 4.20 -0.90 -0.72 115.11 121.67 2f5d h GLN 82 Ca 0.11 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2f5d h GLN 82 Cb 0.26 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2f5d h GLN 82 CO -0.00 0.72 -0.07 0.35 -0.67 0.00 0.00 178.83 179.15 2f5d h PHE 83 N 1.12 -0.19 -0.65 2.96 3.57 -0.82 0.17 116.94 123.10 2f5d h PHE 83 Ca 0.31 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 2f5d h PHE 83 Cb -0.10 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2f5d h PHE 83 CO -0.02 -0.12 0.17 -0.07 -2.23 0.00 0.00 178.31 176.04 2f5d h LEU 84 N -0.21 0.95 -0.21 0.59 3.38 -1.15 -2.43 115.31 116.24 2f5d h LEU 84 Ca -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2f5d h LEU 84 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2f5d h LEU 84 CO 0.03 0.91 0.11 -0.09 0.09 0.00 0.00 178.44 179.50 2f5d h ARG 85 N 0.97 0.30 -0.88 1.13 2.43 -0.93 -1.82 114.38 115.58 2f5d h ARG 85 Ca 0.21 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2f5d h ARG 85 Cb 0.33 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 2f5d h ARG 85 CO -0.00 0.29 0.56 0.82 -1.51 0.00 0.00 179.97 180.13 2f5d h ILE 86 N 0.23 1.11 -0.03 1.20 2.04 -0.74 -2.17 117.51 119.15 2f5d h ILE 86 Ca 0.07 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2f5d h ILE 86 Cb 0.08 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 2f5d h ILE 86 CO -0.01 0.20 0.00 2.30 0.00 0.00 0.00 178.15 180.63 2f5d n ILE 87 N -4.56 0.04 -0.20 -0.67 -5.35 -0.93 -4.91 119.36 102.78 2f5d n ILE 87 Ca 0.12 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2f5d n ILE 87 Cb 0.12 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 2f5d n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f5d n GLY 88 N 0.84 0.89 3.75 3.28 0.00 -0.82 -5.07 105.19 108.07 2f5d n GLY 88 Ca 0.13 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2f5d n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f5d s VAL 89 N -2.00 3.11 0.03 1.61 1.01 -0.70 -4.92 120.40 118.54 2f5d s VAL 89 Ca 0.00 1.01 -0.35 0.00 0.00 0.00 0.00 61.98 62.65 2f5d s VAL 89 Cb 0.00 -3.65 -0.14 0.00 0.00 0.00 0.00 36.38 32.60 2f5d s VAL 89 CO 0.00 0.20 1.68 -0.67 0.00 0.00 0.00 175.10 176.31 2f5d n ASP 90 N 1.72 3.01 -0.34 3.32 2.03 -1.26 -4.70 116.55 120.33 2f5d n ASP 90 Ca 0.03 1.05 0.23 0.00 0.52 0.00 0.00 54.79 56.61 2f5d n ASP 90 Cb 0.43 -1.36 0.48 0.00 -0.72 0.00 0.00 41.12 39.95 2f5d n ASP 90 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2f5d h GLU 91 N 7.07 0.39 0.00 -0.67 4.57 -1.97 -1.02 114.58 122.95 2f5d h GLU 91 Ca -0.47 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2f5d h GLU 91 Cb 1.27 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2f5d h GLU 91 CO 0.90 0.26 -0.01 1.05 -1.18 0.00 0.00 179.01 180.03 2f5d h GLU 92 N 0.41 0.00 0.00 1.92 4.11 -2.04 -2.79 114.58 116.19 2f5d h GLU 92 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.08 2f5d h GLU 92 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2f5d h GLU 92 CO -0.41 0.01 -1.02 1.63 0.07 0.00 0.00 179.01 179.30 2f5d n LYS 93 N -3.12 0.08 0.04 1.06 5.02 -0.39 -4.58 118.16 116.27 2f5d n LYS 93 Ca -0.01 -0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.14 2f5d n LYS 93 Cb 0.23 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 2f5d n LYS 93 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2f5d h ILE 94 N 0.00 1.02 -0.25 -0.18 2.04 -1.45 -2.80 117.51 115.89 2f5d h ILE 94 Ca 0.00 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.82 2f5d h ILE 94 Cb 0.56 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2f5d h ILE 94 CO 0.00 0.02 0.00 0.22 0.00 0.00 0.00 178.15 178.40 2f5d h TYR 95 N -0.04 -0.00 -0.72 1.37 3.20 -1.81 -1.26 116.97 117.71 2f5d h TYR 95 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2f5d h TYR 95 Cb 0.04 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 2f5d h TYR 95 CO -0.07 -0.03 0.37 -0.91 -1.64 0.00 0.00 178.16 175.88 2f5d h ASN 96 N 0.08 0.91 -0.29 -2.11 -0.26 -1.85 -0.71 115.58 111.35 2f5d h ASN 96 Ca 0.12 -0.09 -0.08 0.00 -0.56 0.00 0.00 56.30 55.70 2f5d h ASN 96 Cb 0.15 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 2f5d h ASN 96 CO -0.20 0.75 -0.11 0.44 -1.06 0.00 0.00 177.43 177.25 2f5d h ASP 97 N 1.02 0.61 -0.45 5.81 3.45 -1.18 -2.88 116.42 122.79 2f5d h ASP 97 Ca 0.25 -0.39 -0.03 0.00 0.43 0.00 0.00 57.03 57.29 2f5d h ASP 97 Cb 0.07 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 2f5d h ASP 97 CO -0.04 0.86 0.17 0.58 -1.57 0.00 0.00 179.24 179.24 2f5d h VAL 98 N 0.35 1.21 -0.53 -1.35 2.07 -0.97 -1.71 116.25 115.32 2f5d h VAL 98 Ca 0.07 -0.66 0.07 0.00 0.82 0.00 0.00 66.70 67.00 2f5d h VAL 98 Cb 0.62 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2f5d h VAL 98 CO 0.04 0.24 0.36 -0.33 0.02 0.00 0.00 177.57 177.90 2f5d h GLU 99 N 0.58 0.42 0.12 1.57 4.39 -1.12 -1.25 114.58 119.28 2f5d h GLU 99 Ca 0.15 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.64 2f5d h GLU 99 Cb 0.22 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2f5d h GLU 99 CO -0.01 0.28 -0.86 0.78 -1.16 0.00 0.00 179.01 178.03 2f5d h GLY 100 N 0.43 0.28 1.93 -3.84 0.00 -1.24 -3.39 103.07 97.24 2f5d h GLY 100 Ca 0.24 -0.73 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 2f5d h GLY 100 CO -0.06 0.64 -0.62 0.16 0.00 0.00 0.00 176.54 176.65 2f5d h ILE 101 N -0.44 0.93 -1.01 2.60 3.07 -1.18 -3.36 117.51 118.11 2f5d h ILE 101 Ca -0.17 -2.34 0.28 0.00 1.55 0.00 0.00 64.86 64.18 2f5d h ILE 101 Cb 1.59 2.44 -0.06 0.00 -0.27 0.00 0.00 36.82 40.53 2f5d h ILE 101 CO 0.11 0.53 0.70 1.05 -1.05 0.00 0.00 178.15 179.49 2f5d h GLU 102 N 0.00 0.15 0.00 0.16 4.11 -1.43 0.11 114.58 117.69 2f5d h GLU 102 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2f5d h GLU 102 Cb 1.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2f5d h GLU 102 CO 0.07 0.10 -0.30 0.45 0.07 0.00 0.00 179.01 179.40 2f5d h HIS 103 N 0.16 0.00 -0.46 2.06 3.86 -1.83 -3.35 115.15 115.59 2f5d h HIS 103 Ca 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.72 2f5d h HIS 103 Cb 1.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.21 2f5d h HIS 103 CO -0.00 0.00 0.00 0.72 0.86 0.00 0.00 177.93 179.51 2f5d n HIS 104 N -2.38 0.96 -4.48 2.45 8.25 0.02 -4.94 115.22 115.10 2f5d n HIS 104 Ca 0.04 -0.62 -0.34 0.00 -0.26 0.00 0.00 57.72 56.54 2f5d n HIS 104 Cb 0.46 -0.16 -0.12 0.00 1.12 0.00 0.00 29.99 31.29 2f5d n HIS 104 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2f5d s LEU 105 N -1.69 3.22 0.78 2.41 1.43 -1.21 -5.11 118.68 118.52 2f5d s LEU 105 Ca 0.39 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 2f5d s LEU 105 Cb 0.25 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.78 2f5d s LEU 105 CO 0.19 0.22 1.08 -0.94 0.23 0.00 0.00 176.35 177.13 2f5d s SER 106 N 0.03 4.49 0.47 2.29 1.04 -1.26 -4.84 113.70 115.92 2f5d s SER 106 Ca -0.00 1.64 0.16 0.00 0.48 0.00 0.00 55.95 58.22 2f5d s SER 106 Cb -0.13 -2.38 1.11 0.00 0.10 0.00 0.00 66.02 64.72 2f5d s SER 106 CO 0.03 -2.01 2.04 -0.50 0.98 0.00 0.00 173.24 173.77 2f5d h TRP 107 N -1.12 0.00 -0.41 5.02 4.06 -1.99 -1.83 115.95 119.69 2f5d h TRP 107 Ca -0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.50 2f5d h TRP 107 Cb 1.24 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.38 2f5d h TRP 107 CO 0.54 0.14 0.26 -0.97 -3.56 0.00 0.00 178.44 174.85 2f5d h ASN 108 N 0.00 0.48 -0.58 -3.49 -0.00 -2.00 0.02 115.58 110.01 2f5d h ASN 108 Ca -0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 56.30 56.21 2f5d h ASN 108 Cb 0.25 -0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 38.42 2f5d h ASN 108 CO 0.02 0.37 0.17 0.28 -0.00 0.00 0.00 177.43 178.27 2f5d h SER 109 N 0.54 0.86 -0.52 1.15 0.02 -1.72 -2.17 113.55 111.71 2f5d h SER 109 Ca 0.15 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2f5d h SER 109 Cb -0.03 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 2f5d h SER 109 CO -0.03 0.85 0.33 0.40 -1.14 0.00 0.00 176.83 177.24 2f5d h ILE 110 N 0.83 1.15 -0.60 3.27 1.08 -0.93 -0.38 117.51 121.93 2f5d h ILE 110 Ca 0.19 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2f5d h ILE 110 Cb 0.30 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 2f5d h ILE 110 CO -0.00 0.15 0.37 0.44 -0.69 0.00 0.00 178.15 178.42 2f5d h ASP 111 N 0.70 0.71 -0.02 1.72 3.32 -0.84 -0.33 116.42 121.69 2f5d h ASP 111 Ca 0.19 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 2f5d h ASP 111 Cb -0.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2f5d h ASP 111 CO -0.04 0.54 -0.28 0.03 -1.72 0.00 0.00 179.24 177.78 2f5d h ARG 112 N 0.81 0.45 -0.04 3.56 2.47 -1.04 -1.69 114.38 118.90 2f5d h ARG 112 Ca 0.22 -0.18 -0.10 0.00 -1.26 0.00 0.00 59.98 58.66 2f5d h ARG 112 Cb -0.04 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 2f5d h ARG 112 CO -0.04 0.69 -0.44 0.82 0.56 0.00 0.00 179.97 181.56 2f5d h ILE 113 N 0.40 1.32 -0.46 2.04 2.04 -0.71 -1.76 117.51 120.38 2f5d h ILE 113 Ca 0.05 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 2f5d h ILE 113 Cb 0.70 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 2f5d h ILE 113 CO 0.05 0.45 0.20 1.23 0.00 0.00 0.00 178.15 180.08 2f5d h GLY 114 N 1.31 0.73 1.27 5.37 0.00 -0.19 -1.28 103.07 110.28 2f5d h GLY 114 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 2f5d h GLY 114 CO 0.06 0.36 0.07 -0.55 0.00 0.00 0.00 176.54 176.49 2f5d h ASP 115 N 0.60 0.85 -0.62 0.19 3.32 -1.06 -2.20 116.42 117.51 2f5d h ASP 115 Ca 0.15 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2f5d h ASP 115 Cb 0.17 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2f5d h ASP 115 CO -0.02 0.87 0.30 0.25 -1.72 0.00 0.00 179.24 178.93 2f5d h LEU 116 N 0.85 0.81 -0.55 1.55 5.85 -0.91 0.10 115.31 123.01 2f5d h LEU 116 Ca 0.17 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2f5d h LEU 116 Cb 0.40 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2f5d h LEU 116 CO 0.01 0.71 0.18 0.58 -0.34 0.00 0.00 178.44 179.58 2f5d h VAL 117 N 0.85 1.23 -0.62 1.05 2.07 -1.05 -2.45 116.25 117.34 2f5d h VAL 117 Ca 0.21 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2f5d h VAL 117 Cb 0.11 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2f5d h VAL 117 CO -0.03 0.29 0.37 -0.61 0.02 0.00 0.00 177.57 177.62 2f5d h GLN 118 N 0.76 0.84 -0.34 1.57 5.75 -1.07 -0.65 115.11 121.96 2f5d h GLN 118 Ca 0.18 -0.08 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 2f5d h GLN 118 Cb 0.26 -0.18 -0.08 0.00 1.07 0.00 0.00 27.48 28.55 2f5d h GLN 118 CO -0.01 0.60 -0.31 -0.92 -2.65 0.00 0.00 178.83 175.55 2f5d h TYR 119 N 0.84 -0.85 -0.03 3.99 3.20 -0.36 -0.62 116.97 123.14 2f5d h TYR 119 Ca 0.22 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.99 2f5d h TYR 119 Cb -0.02 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2f5d h TYR 119 CO -0.02 -0.37 -0.67 0.74 -1.64 0.00 0.00 178.16 176.20 2f5d h PHE 120 N -0.27 0.19 0.00 -3.82 -1.00 -1.28 -3.24 116.94 107.52 2f5d h PHE 120 Ca 0.16 -0.08 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 2f5d h PHE 120 Cb 0.53 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2f5d h PHE 120 CO -0.50 0.76 -0.34 0.93 -1.61 0.00 0.00 178.31 177.55 2f5d h GLU 121 N 0.10 0.00 0.00 1.51 4.39 -0.41 -3.18 114.58 116.99 2f5d h GLU 121 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2f5d h GLU 121 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2f5d h GLU 121 CO 0.10 0.34 -0.10 -0.85 -1.16 0.00 0.00 179.01 177.34 2f5d n GLU 122 N -3.65 0.27 -3.40 2.33 0.28 -0.31 -4.68 120.64 111.48 2f5d n GLU 122 Ca -0.01 0.20 -0.15 0.00 -0.16 0.00 0.00 57.16 57.04 2f5d n GLU 122 Cb 0.45 -1.79 -0.10 0.00 1.43 0.00 0.00 31.44 31.44 2f5d n GLU 122 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2f5d s ASP 123 N -4.49 1.10 0.61 -1.84 -1.08 -1.20 -5.01 116.67 104.77 2f5d s ASP 123 Ca 0.10 -0.33 0.30 0.00 -0.52 0.00 0.00 52.55 52.10 2f5d s ASP 123 Cb 0.12 0.69 1.65 0.00 -1.46 0.00 0.00 42.92 43.93 2f5d s ASP 123 CO 0.62 -0.35 2.02 -0.78 0.52 0.00 0.00 175.17 177.20 2f5d h ASP 124 N 8.24 0.00 -0.44 -0.34 1.82 -1.83 -0.31 116.42 123.56 2f5d h ASP 124 Ca -0.15 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2f5d h ASP 124 Cb 1.12 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.11 2f5d h ASP 124 CO 0.30 0.00 0.28 0.00 -1.61 0.00 0.00 179.24 178.21 2f5d h ALA 125 N 1.60 1.64 -0.57 -0.78 0.00 -1.95 -1.76 119.26 117.44 2f5d h ALA 125 Ca 0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2f5d h ALA 125 Cb 0.69 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2f5d h ALA 125 CO -0.00 0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.53 2f5d h ARG 126 N 0.62 1.02 -0.72 0.00 3.08 -1.37 -1.84 114.38 115.16 2f5d h ARG 126 Ca 0.16 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 2f5d h ARG 126 Cb -0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2f5d h ARG 126 CO -0.03 1.02 0.24 0.87 -1.07 0.00 0.00 179.97 180.99 2f5d h LYS 127 N 0.93 1.12 -0.65 0.04 1.57 -1.43 -1.94 116.57 116.20 2f5d h LYS 127 Ca 0.16 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2f5d h LYS 127 Cb 0.58 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2f5d h LYS 127 CO 0.04 0.95 0.34 0.87 -0.57 0.00 0.00 179.45 181.08 2f5d h LYS 128 N 1.06 0.92 -0.45 3.15 1.79 -1.10 -1.43 116.57 120.51 2f5d h LYS 128 Ca 0.23 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.52 2f5d h LYS 128 Cb 0.29 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 2f5d h LYS 128 CO -0.01 0.71 0.01 -0.44 -1.08 0.00 0.00 179.45 178.64 2f5d h ASP 129 N 0.89 0.70 -0.34 0.86 3.32 -1.03 -1.25 116.42 119.57 2f5d h ASP 129 Ca 0.23 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2f5d h ASP 129 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2f5d h ASP 129 CO -0.03 0.76 -0.00 0.25 -1.72 0.00 0.00 179.24 178.50 2f5d h LEU 130 N 0.69 0.59 -1.64 1.55 5.85 -1.01 -2.70 115.31 118.65 2f5d h LEU 130 Ca 0.14 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2f5d h LEU 130 Cb 0.41 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2f5d h LEU 130 CO 0.02 0.76 -0.20 0.11 -0.34 0.00 0.00 178.44 178.78 2f5d h LYS 131 N 0.40 0.00 -0.55 1.25 1.57 -1.00 -2.52 116.57 115.72 2f5d h LYS 131 Ca 0.10 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 2f5d h LYS 131 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2f5d h LYS 131 CO 0.02 0.20 -0.03 0.77 -0.57 0.00 0.00 179.45 179.84 2f5d h SER 132 N 0.00 0.98 -0.41 0.86 0.02 -0.92 -2.79 113.55 111.28 2f5d h SER 132 Ca -0.00 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.54 2f5d h SER 132 Cb 0.39 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2f5d h SER 132 CO 0.03 1.06 -0.04 0.40 -1.14 0.00 0.00 176.83 177.14 2f5d h ILE 133 N 0.87 1.25 0.00 3.27 2.04 -1.22 -1.97 117.51 121.75 2f5d h ILE 133 Ca 0.15 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 2f5d h ILE 133 Cb 0.58 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2f5d h ILE 133 CO 0.03 0.38 -0.03 1.56 0.00 0.00 0.00 178.15 180.10 2f5d h GLN 134 N 0.76 0.00 0.00 2.37 4.20 -1.23 -1.02 115.11 120.19 2f5d h GLN 134 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2f5d h GLN 134 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2f5d h GLN 134 CO 0.03 0.03 -0.25 0.87 -0.67 0.00 0.00 178.83 178.84 2f5d h LYS 135 N 0.00 0.00 0.00 1.46 1.57 -1.13 -3.52 116.57 114.95 2f5d h LYS 135 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f5d h LYS 135 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2f5d h LYS 135 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51