#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5y s GLU 2 N 0.00 4.12 0.01 7.34 2.56 -1.26 -5.03 118.70 126.44 1s5y s GLU 2 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 54.97 54.90 1s5y s GLU 2 Cb 0.00 -3.52 -0.03 0.00 2.00 0.00 0.00 34.13 32.58 1s5y s GLU 2 CO 0.00 0.06 -0.16 -1.58 -0.56 0.00 0.00 175.26 173.03 1s5y s TRP 3 N 1.03 2.63 0.26 5.30 0.52 -1.26 -5.12 118.94 122.30 1s5y s TRP 3 Ca 0.11 -0.21 0.04 0.00 0.02 0.00 0.00 56.10 56.07 1s5y s TRP 3 Cb -0.14 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.63 1s5y s TRP 3 CO 0.05 0.24 0.40 0.95 0.02 0.00 0.00 176.95 178.61 1s5y s THR 4 N -0.88 5.14 0.32 2.01 -4.23 -1.26 -4.99 115.64 111.74 1s5y s THR 4 Ca 0.14 -0.92 -0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1s5y s THR 4 Cb -0.11 -3.82 0.24 0.00 1.34 0.00 0.00 72.50 70.15 1s5y s THR 4 CO 0.04 -0.35 1.96 0.44 -0.54 0.00 0.00 174.62 176.17 1s5y h ASP 5 N 1.09 0.82 -0.51 3.99 3.45 -2.00 -1.93 116.42 121.33 1s5y h ASP 5 Ca -0.51 -0.05 0.03 0.00 0.43 0.00 0.00 57.03 56.93 1s5y h ASP 5 Cb 1.23 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 39.76 1s5y h ASP 5 CO 0.60 0.64 0.28 0.50 -1.57 0.00 0.00 179.24 179.69 1s5y h LYS 6 N 0.94 0.53 -0.54 3.56 1.63 -1.99 0.16 116.57 120.87 1s5y h LYS 6 Ca 0.24 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.94 1s5y h LYS 6 Cb -0.02 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 1s5y h LYS 6 CO -0.04 0.35 0.03 0.93 -3.45 0.00 0.00 179.45 177.27 1s5y h GLU 7 N 0.55 0.89 -0.76 1.90 5.08 -1.82 -0.83 114.58 119.59 1s5y h GLU 7 Ca 0.21 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1s5y h GLU 7 Cb 0.08 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1s5y h GLU 7 CO -0.12 0.87 0.25 0.00 -1.00 0.00 0.00 179.01 179.01 1s5y h ARG 8 N 0.84 1.16 0.04 2.33 3.08 -0.63 -1.90 114.38 119.30 1s5y h ARG 8 Ca 0.16 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1s5y h ARG 8 Cb 0.45 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1s5y h ARG 8 CO 0.02 0.98 -0.02 1.03 -1.07 0.00 0.00 179.97 180.91 1s5y h SER 9 N 1.12 -0.05 -0.25 7.04 0.87 -0.45 -2.30 113.55 119.53 1s5y h SER 9 Ca 0.25 -0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1s5y h SER 9 Cb 0.29 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1s5y h SER 9 CO -0.01 0.21 0.10 0.40 -0.53 0.00 0.00 176.83 177.00 1s5y h ILE 10 N -0.30 0.96 -0.57 2.23 2.04 -1.04 0.59 117.51 121.41 1s5y h ILE 10 Ca -0.01 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1s5y h ILE 10 Cb 0.28 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1s5y h ILE 10 CO 0.01 0.04 0.04 0.40 0.00 0.00 0.00 178.15 178.64 1s5y h ILE 11 N 0.23 1.25 -0.62 -0.67 2.04 -1.40 -0.86 117.51 117.47 1s5y h ILE 11 Ca 0.11 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 1s5y h ILE 11 Cb 0.06 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1s5y h ILE 11 CO -0.10 0.38 0.07 -1.28 0.00 0.00 0.00 178.15 177.22 1s5y h SER 12 N 0.88 1.01 -0.16 1.72 0.87 -1.10 -2.09 113.55 114.69 1s5y h SER 12 Ca 0.17 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1s5y h SER 12 Cb 0.46 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1s5y h SER 12 CO 0.02 1.03 0.09 -0.78 -0.53 0.00 0.00 176.83 176.66 1s5y h ASP 13 N 0.95 0.19 0.13 6.23 -0.00 -0.52 -1.86 116.42 121.55 1s5y h ASP 13 Ca 0.18 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 57.15 1s5y h ASP 13 Cb 0.47 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.75 1s5y h ASP 13 CO 0.02 0.19 -0.06 0.40 -0.00 0.00 0.00 179.24 179.79 1s5y h ILE 14 N 0.17 0.89 0.00 2.25 2.04 -1.04 -2.90 117.51 118.92 1s5y h ILE 14 Ca 0.06 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1s5y h ILE 14 Cb 0.04 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1s5y h ILE 14 CO -0.01 0.01 0.00 -0.26 0.00 0.00 0.00 178.15 177.89 1s5y h PHE 15 N -0.20 0.00 0.00 1.37 0.04 -1.36 -2.30 116.94 114.49 1s5y h PHE 15 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1s5y h PHE 15 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1s5y h PHE 15 CO -0.06 0.00 -0.69 -1.13 -0.60 0.00 0.00 178.31 175.83 1s5y n SER 16 N -2.43 0.61 -0.40 2.17 3.41 -0.70 -3.85 113.62 112.42 1s5y n SER 16 Ca 0.02 -0.16 0.05 0.00 -0.26 0.00 0.00 58.87 58.52 1s5y n SER 16 Cb 0.27 0.39 0.06 0.00 -0.26 0.00 0.00 64.21 64.66 1s5y n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1s5y n HIS 17 N -1.79 0.07 -2.72 7.33 8.25 -1.08 -5.01 115.22 120.27 1s5y n HIS 17 Ca 0.04 -0.10 -0.35 0.00 -0.26 0.00 0.00 57.72 57.05 1s5y n HIS 17 Cb 0.39 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 1s5y n HIS 17 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1s5y s MET 18 N -0.82 4.32 -0.48 -0.41 0.00 -0.89 -5.02 119.30 116.00 1s5y s MET 18 Ca 0.12 1.30 -0.04 0.00 0.00 0.00 0.00 55.69 57.08 1s5y s MET 18 Cb 0.08 -2.49 0.13 0.00 0.00 0.00 0.00 34.83 32.55 1s5y s MET 18 CO 0.12 0.03 0.30 0.34 0.00 0.00 0.00 175.02 175.81 1s5y s ASP 19 N -1.82 5.35 0.35 1.11 2.15 -1.26 -4.99 116.67 117.56 1s5y s ASP 19 Ca 0.57 -2.25 0.09 0.00 0.43 0.00 0.00 52.55 51.39 1s5y s ASP 19 Cb -0.16 -1.87 0.82 0.00 -0.30 0.00 0.00 42.92 41.41 1s5y s ASP 19 CO 0.21 -0.52 1.85 1.88 -0.17 0.00 0.00 175.17 178.42 1s5y h TYR 20 N 7.83 0.84 0.00 -5.34 0.99 -1.97 -1.68 116.97 117.64 1s5y h TYR 20 Ca -0.11 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1s5y h TYR 20 Cb 1.03 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 38.49 1s5y h TYR 20 CO 0.62 0.28 0.00 -0.44 -0.00 0.00 0.00 178.16 178.62 1s5y h ASP 21 N 0.69 0.00 0.00 3.88 3.32 -1.96 -1.56 116.42 120.78 1s5y h ASP 21 Ca 0.47 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.38 1s5y h ASP 21 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1s5y h ASP 21 CO -0.23 0.00 -1.26 -0.67 -1.72 0.00 0.00 179.24 175.36 1s5y n ASP 22 N -2.86 1.89 -0.16 6.45 4.64 -0.83 -4.36 116.55 121.33 1s5y n ASP 22 Ca 0.01 0.44 -0.09 0.00 -1.38 0.00 0.00 54.79 53.78 1s5y n ASP 22 Cb 0.32 -0.84 0.00 0.00 -1.04 0.00 0.00 41.12 39.56 1s5y n ASP 22 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1s5y h ILE 23 N -1.00 1.21 0.05 5.18 1.08 -1.42 -2.89 117.51 119.72 1s5y h ILE 23 Ca -0.22 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 1s5y h ILE 23 Cb 1.06 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1s5y h ILE 23 CO -0.13 0.24 -0.12 1.23 -0.69 0.00 0.00 178.15 178.68 1s5y h GLY 24 N 0.60 -1.11 0.44 5.37 0.00 -1.50 0.06 103.07 106.95 1s5y h GLY 24 Ca 0.15 0.50 0.10 0.00 0.00 0.00 0.00 47.33 48.08 1s5y h GLY 24 CO -0.01 -0.39 0.33 -2.55 0.00 0.00 0.00 176.54 173.92 1s5y h PRO 25 N -0.19 0.54 -0.42 4.80 0.11 -1.75 -2.61 132.00 132.47 1s5y h PRO 25 Ca -0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1s5y h PRO 25 Cb 0.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1s5y h PRO 25 CO -0.05 0.36 0.24 0.87 -0.21 0.00 0.00 178.00 179.21 1s5y h LYS 26 N 0.56 0.58 -0.42 1.05 1.57 -1.40 -1.66 116.57 116.85 1s5y h LYS 26 Ca 0.34 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1s5y h LYS 26 Cb 0.38 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1s5y h LYS 26 CO -0.28 0.46 0.19 0.00 -0.57 0.00 0.00 179.45 179.24 1s5y h ALA 27 N 1.10 1.54 0.15 3.86 0.00 -0.64 -2.13 119.26 123.14 1s5y h ALA 27 Ca 0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 1s5y h ALA 27 Cb 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 17.67 1s5y h ALA 27 CO -0.03 0.37 -1.29 1.25 0.00 0.00 0.00 179.25 179.55 1s5y h LEU 28 N 0.59 0.76 -0.36 0.00 5.85 -1.26 -3.05 115.31 117.84 1s5y h LEU 28 Ca 0.15 -0.74 0.03 0.00 0.84 0.00 0.00 57.88 58.16 1s5y h LEU 28 Cb 0.09 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1s5y h LEU 28 CO -0.02 1.56 0.15 0.28 -0.34 0.00 0.00 178.44 180.07 1s5y h SER 29 N 0.20 0.19 -0.43 1.25 0.02 -1.14 -1.61 113.55 112.03 1s5y h SER 29 Ca -0.19 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1s5y h SER 29 Cb 1.98 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.50 1s5y h SER 29 CO 0.24 0.15 0.27 -0.09 -1.14 0.00 0.00 176.83 176.26 1s5y h ARG 30 N 0.31 0.59 -0.87 3.45 2.43 -1.49 -1.69 114.38 117.11 1s5y h ARG 30 Ca 0.16 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1s5y h ARG 30 Cb 0.10 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1s5y h ARG 30 CO -0.14 0.42 0.52 0.00 -1.51 0.00 0.00 179.97 179.27 1s5y h LEU 32 N 1.21 0.00 0.06 0.00 3.38 -0.95 0.54 115.31 119.55 1s5y h LEU 32 Ca 0.31 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.93 1s5y h LEU 32 Cb -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1s5y h LEU 32 CO -0.06 0.00 -2.08 -0.38 0.09 0.00 0.00 178.44 176.02 1s5y n ILE 33 N -2.84 1.66 0.09 1.22 5.41 -0.67 -3.74 119.36 120.48 1s5y n ILE 33 Ca 0.02 -0.68 -0.14 0.00 1.00 0.00 0.00 62.75 62.95 1s5y n ILE 33 Cb 0.37 -1.42 -0.14 0.00 -0.71 0.00 0.00 39.64 37.74 1s5y n ILE 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1s5y h VAL 34 N 0.04 1.46 -2.14 1.39 2.07 -0.56 -3.38 116.25 115.14 1s5y h VAL 34 Ca -0.44 -3.08 -0.58 0.00 0.82 0.00 0.00 66.70 63.42 1s5y h VAL 34 Cb 2.02 2.89 -0.41 0.00 -1.52 0.00 0.00 31.29 34.27 1s5y h VAL 34 CO 0.04 0.89 -0.76 -1.22 0.02 0.00 0.00 177.57 176.54 1s5y n TYR 35 N -3.47 2.45 -0.50 1.57 4.01 0.18 -4.99 117.16 116.40 1s5y n TYR 35 Ca -0.09 -3.97 0.40 0.00 -0.16 0.00 0.00 57.90 54.08 1s5y n TYR 35 Cb 1.01 -0.49 0.63 0.00 -0.31 0.00 0.00 39.34 40.19 1s5y n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1s5y n PRO 36 N 0.92 -0.01 0.07 -0.72 -0.02 -1.25 -1.46 135.00 132.53 1s5y n PRO 36 Ca 0.27 0.98 0.09 0.00 -2.02 0.00 0.00 63.50 62.82 1s5y n PRO 36 Cb 0.45 -2.09 0.39 0.00 -0.02 0.00 0.00 33.50 32.22 1s5y n PRO 36 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1s5y n TRP 37 N -3.98 0.41 0.20 6.00 2.14 -1.26 -1.91 117.44 119.05 1s5y n TRP 37 Ca 0.36 0.17 0.09 0.00 2.07 0.00 0.00 57.50 60.19 1s5y n TRP 37 Cb 1.52 -0.77 0.20 0.00 -0.81 0.00 0.00 31.31 31.45 1s5y n TRP 37 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1s5y h THR 38 N 0.00 0.32 -0.24 -1.67 1.35 -1.59 -3.25 112.91 107.83 1s5y h THR 38 Ca 0.00 -1.34 0.07 0.00 -0.55 0.00 0.00 66.41 64.59 1s5y h THR 38 Cb 0.26 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 1s5y h THR 38 CO 0.00 0.17 0.37 1.56 -0.25 0.00 0.00 175.52 177.37 1s5y h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.59 -2.00 115.11 120.45 1s5y h GLN 39 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s5y h GLN 39 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1s5y h GLN 39 CO 0.02 0.00 0.00 2.89 -0.67 0.00 0.00 178.83 181.07 1s5y n ARG 40 N -3.45 0.22 -0.33 1.46 1.85 -1.23 -1.73 116.66 113.45 1s5y n ARG 40 Ca 0.03 0.11 0.12 0.00 -1.00 0.00 0.00 57.85 57.11 1s5y n ARG 40 Cb 0.49 -1.50 0.30 0.00 -1.05 0.00 0.00 32.46 30.71 1s5y n ARG 40 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1s5y n HIS 41 N -1.17 0.88 -2.92 2.89 8.25 -0.75 -4.24 115.22 118.16 1s5y n HIS 41 Ca 0.06 -0.44 -0.13 0.00 -0.26 0.00 0.00 57.72 56.95 1s5y n HIS 41 Cb 0.06 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.18 1s5y n HIS 41 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1s5y n PHE 42 N 1.59 0.13 0.13 4.41 3.72 -0.70 -4.98 117.46 121.76 1s5y n PHE 42 Ca 0.23 -3.17 0.00 0.00 -0.05 0.00 0.00 57.45 54.47 1s5y n PHE 42 Cb 0.61 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1s5y n PHE 42 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1s5y n SER 43 N 0.10 0.82 0.00 4.37 7.64 -1.26 -5.06 113.62 120.23 1s5y n SER 43 Ca 0.16 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1s5y n SER 43 Cb 0.74 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1s5y n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s5y n GLY 44 N 1.17 2.51 0.01 0.23 0.00 -1.26 -5.19 105.19 102.66 1s5y n GLY 44 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.45 1s5y n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5y n ALA 53 N 0.00 0.02 -0.09 4.61 0.00 -1.26 -4.99 120.51 118.80 1s5y n ALA 53 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1s5y n ALA 53 Cb 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 1s5y n ALA 53 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1s5y n ILE 54 N -3.62 1.44 0.48 0.00 5.41 -1.26 -3.58 119.36 118.23 1s5y n ILE 54 Ca 0.01 -0.83 0.13 0.00 1.00 0.00 0.00 62.75 63.06 1s5y n ILE 54 Cb 0.03 -0.63 0.42 0.00 -0.71 0.00 0.00 39.64 38.74 1s5y n ILE 54 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1s5y h ILE 55 N 0.00 0.00 0.00 1.39 2.04 -1.96 -3.22 117.51 115.76 1s5y h ILE 55 Ca -0.50 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1s5y h ILE 55 Cb 2.19 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 1s5y h ILE 55 CO 0.03 0.00 -0.75 0.61 0.00 0.00 0.00 178.15 178.05 1s5y n GLY 56 N 0.83 -0.35 3.65 5.37 0.00 -1.26 -4.97 105.19 108.45 1s5y n GLY 56 Ca 0.04 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1s5y n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s5y s ASN 57 N -2.44 6.44 0.53 1.61 3.84 -1.22 -4.91 114.94 118.80 1s5y s ASN 57 Ca 0.04 2.15 0.23 0.00 0.21 0.00 0.00 52.86 55.50 1s5y s ASN 57 Cb 0.11 -2.53 1.47 0.00 -0.55 0.00 0.00 41.25 39.74 1s5y s ASN 57 CO 0.58 -1.12 2.14 0.00 -2.79 0.00 0.00 177.10 175.91 1s5y h ALA 58 N 10.54 1.61 0.00 1.71 0.00 -1.93 -2.10 119.26 129.09 1s5y h ALA 58 Ca -0.40 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1s5y h ALA 58 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1s5y h ALA 58 CO 0.96 0.08 -0.59 -0.91 0.00 0.00 0.00 179.25 178.79 1s5y h ASN 59 N 0.00 0.00 0.06 0.00 2.35 -1.94 -1.42 115.58 114.62 1s5y h ASN 59 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s5y h ASN 59 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1s5y h ASN 59 CO 0.01 0.59 -0.03 0.58 -1.65 0.00 0.00 177.43 176.93 1s5y h VAL 60 N 0.00 1.28 -1.00 2.81 2.07 -1.73 -2.91 116.25 116.77 1s5y h VAL 60 Ca -0.01 -1.44 0.24 0.00 0.82 0.00 0.00 66.70 66.32 1s5y h VAL 60 Cb 1.15 2.18 -0.08 0.00 -1.52 0.00 0.00 31.29 33.02 1s5y h VAL 60 CO 0.08 0.34 0.65 0.00 0.02 0.00 0.00 177.57 178.66 1s5y h ALA 61 N 0.08 2.22 -0.11 1.67 0.00 -1.39 -0.61 119.26 121.12 1s5y h ALA 61 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1s5y h ALA 61 Cb 0.62 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1s5y h ALA 61 CO 0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 179.25 178.67 1s5y h ALA 62 N 1.61 0.15 0.00 0.00 0.00 -1.19 -2.44 119.26 117.39 1s5y h ALA 62 Ca 0.55 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1s5y h ALA 62 Cb 1.39 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1s5y h ALA 62 CO -0.25 -0.15 -0.47 1.25 0.00 0.00 0.00 179.25 179.63 1s5y h HIS 63 N -0.08 0.00 -0.75 0.00 6.17 -1.11 -2.04 115.15 117.34 1s5y h HIS 63 Ca 0.03 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.11 1s5y h HIS 63 Cb 0.37 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.26 1s5y h HIS 63 CO 0.04 0.47 0.45 0.78 0.71 0.00 0.00 177.93 180.37 1s5y h GLY 64 N 1.89 1.09 0.85 5.26 0.00 -1.03 0.72 103.07 111.85 1s5y h GLY 64 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1s5y h GLY 64 CO 0.06 0.44 -0.03 -2.22 0.00 0.00 0.00 176.54 174.79 1s5y h ILE 65 N 1.02 1.27 -0.94 2.60 2.04 -1.11 -2.80 117.51 119.59 1s5y h ILE 65 Ca 0.27 -1.00 0.09 0.00 1.00 0.00 0.00 64.86 65.21 1s5y h ILE 65 Cb -0.03 1.41 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 1s5y h ILE 65 CO -0.05 0.32 0.60 0.11 0.00 0.00 0.00 178.15 179.13 1s5y h LYS 66 N 0.24 0.96 -0.35 2.37 1.57 -0.83 -1.90 116.57 118.64 1s5y h LYS 66 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1s5y h LYS 66 Cb 0.48 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1s5y h LYS 66 CO 0.02 0.64 0.17 0.28 -0.57 0.00 0.00 179.45 179.99 1s5y h VAL 67 N 0.99 1.16 -0.58 0.50 2.07 -0.62 -0.14 116.25 119.61 1s5y h VAL 67 Ca 0.43 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1s5y h VAL 67 Cb 0.34 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1s5y h VAL 67 CO -0.19 0.16 0.09 -0.07 0.02 0.00 0.00 177.57 177.59 1s5y h LEU 68 N 0.43 0.90 -0.92 2.57 4.07 -1.20 -1.87 115.31 119.29 1s5y h LEU 68 Ca 0.12 -0.20 -0.09 0.00 0.08 0.00 0.00 57.88 57.79 1s5y h LEU 68 Cb 0.10 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1s5y h LEU 68 CO -0.02 0.90 -0.18 0.45 -1.08 0.00 0.00 178.44 178.51 1s5y h HIS 69 N 0.89 0.65 0.00 1.13 3.86 -1.16 -0.39 115.15 120.13 1s5y h HIS 69 Ca 0.18 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 1s5y h HIS 69 Cb 0.39 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1s5y h HIS 69 CO 0.03 0.74 -0.22 0.78 0.86 0.00 0.00 177.93 180.11 1s5y h GLY 70 N 0.98 0.00 0.90 2.45 0.00 -0.44 -2.22 103.07 104.75 1s5y h GLY 70 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.20 1s5y h GLY 70 CO 0.04 0.00 -0.93 1.41 0.00 0.00 0.00 176.54 177.06 1s5y h LEU 71 N 0.00 0.63 -1.58 3.11 3.38 -0.66 -3.22 115.31 116.97 1s5y h LEU 71 Ca -0.00 -0.87 0.14 0.00 0.09 0.00 0.00 57.88 57.24 1s5y h LEU 71 Cb 0.45 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1s5y h LEU 71 CO 0.03 1.43 0.49 -0.78 0.09 0.00 0.00 178.44 179.70 1s5y h ASP 72 N -0.09 0.39 -0.38 -0.43 -0.00 -0.67 0.53 116.42 115.77 1s5y h ASP 72 Ca -0.15 0.02 -0.03 0.00 -0.00 0.00 0.00 57.03 56.88 1s5y h ASP 72 Cb 1.67 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 40.92 1s5y h ASP 72 CO 0.18 0.21 0.16 -0.09 -0.00 0.00 0.00 179.24 179.69 1s5y h ARG 73 N 0.42 0.62 0.00 0.28 2.43 -1.42 -1.98 114.38 114.73 1s5y h ARG 73 Ca 0.36 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1s5y h ARG 73 Cb 0.80 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1s5y h ARG 73 CO -0.11 0.52 -0.63 0.78 -1.51 0.00 0.00 179.97 179.02 1s5y h GLY 74 N 0.78 0.00 2.00 2.80 0.00 -0.03 -3.16 103.07 105.46 1s5y h GLY 74 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 1s5y h GLY 74 CO -0.01 0.00 -0.18 -2.08 0.00 0.00 0.00 176.54 174.27 1s5y h VAL 75 N 0.00 0.87 0.00 4.60 2.07 -0.65 -2.60 116.25 120.54 1s5y h VAL 75 Ca -0.01 -0.66 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 1s5y h VAL 75 Cb 1.23 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1s5y h VAL 75 CO 0.08 0.17 -0.88 0.11 0.02 0.00 0.00 177.57 177.07 1s5y h LYS 76 N 0.00 0.00 -0.84 1.57 1.57 -1.50 -3.35 116.57 114.02 1s5y h LYS 76 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1s5y h LYS 76 Cb 0.37 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.28 1s5y h LYS 76 CO 0.02 0.49 -0.43 0.09 -0.57 0.00 0.00 179.45 179.06 1s5y n ASN 77 N -3.13 5.56 0.29 0.86 3.02 -1.02 -4.86 115.26 115.98 1s5y n ASN 77 Ca -0.02 -3.76 0.08 0.00 -0.03 0.00 0.00 54.58 50.85 1s5y n ASN 77 Cb 0.80 -0.49 0.42 0.00 -0.61 0.00 0.00 39.78 39.90 1s5y n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1s5y h MET 78 N 2.16 0.00 0.00 3.52 2.86 -1.62 0.71 114.93 122.56 1s5y h MET 78 Ca 0.42 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.97 1s5y h MET 78 Cb 1.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.99 1s5y h MET 78 CO 0.95 0.00 -1.89 -0.25 1.06 0.00 0.00 176.91 176.78 1s5y n ASP 79 N -2.52 0.19 -2.87 1.22 8.00 -1.26 -4.45 116.55 114.86 1s5y n ASP 79 Ca -0.01 0.08 -0.27 0.00 0.71 0.00 0.00 54.79 55.30 1s5y n ASP 79 Cb 0.58 1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 43.08 1s5y n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1s5y n ASN 80 N -2.47 4.51 -0.00 -2.24 5.15 0.23 -4.88 115.26 115.56 1s5y n ASN 80 Ca -0.10 -3.69 -0.18 0.00 -0.60 0.00 0.00 54.58 50.01 1s5y n ASN 80 Cb 0.71 -0.55 -0.09 0.00 -0.53 0.00 0.00 39.78 39.33 1s5y n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1s5y h ILE 81 N 2.91 1.31 -0.29 -1.44 2.04 -1.75 -2.97 117.51 117.32 1s5y h ILE 81 Ca 0.16 -2.02 0.01 0.00 1.00 0.00 0.00 64.86 64.00 1s5y h ILE 81 Cb 0.57 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 1s5y h ILE 81 CO 0.82 0.62 0.18 0.00 0.00 0.00 0.00 178.15 179.78 1s5y h ALA 82 N 0.47 0.37 -0.06 1.87 0.00 -1.92 -2.88 119.26 117.10 1s5y h ALA 82 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s5y h ALA 82 Cb 1.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1s5y h ALA 82 CO 0.16 -0.18 0.03 0.00 0.00 0.00 0.00 179.25 179.25 1s5y h ALA 83 N 1.12 0.08 -1.19 0.00 0.00 -1.98 -2.47 119.26 114.83 1s5y h ALA 83 Ca 0.11 -0.08 0.34 0.00 0.00 0.00 0.00 54.91 55.28 1s5y h ALA 83 Cb -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1s5y h ALA 83 CO -0.04 -0.34 0.81 1.15 0.00 0.00 0.00 179.25 180.84 1s5y h THR 84 N -0.04 0.40 0.00 0.00 2.02 -1.34 -2.20 112.91 111.74 1s5y h THR 84 Ca 0.02 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1s5y h THR 84 Cb 0.15 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1s5y h THR 84 CO -0.00 0.03 -0.93 -1.22 0.37 0.00 0.00 175.52 173.76 1s5y n TYR 85 N -4.38 0.00 -0.29 3.16 4.02 -1.11 -4.67 117.16 113.89 1s5y n TYR 85 Ca 0.28 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.23 1s5y n TYR 85 Cb 1.17 -0.07 0.15 0.00 -0.02 0.00 0.00 39.34 40.57 1s5y n TYR 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s5y n ALA 86 N -1.50 0.25 0.33 -0.72 0.00 -0.83 -0.47 120.51 117.57 1s5y n ALA 86 Ca 0.02 0.90 -0.16 0.00 0.00 0.00 0.00 53.44 54.20 1s5y n ALA 86 Cb 0.28 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 19.08 1s5y n ALA 86 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1s5y h ASP 87 N 0.00 -0.70 -0.36 0.00 2.03 -1.83 -2.70 116.42 112.86 1s5y h ASP 87 Ca 0.42 -0.02 0.10 0.00 -0.73 0.00 0.00 57.03 56.80 1s5y h ASP 87 Cb 0.70 0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.37 1s5y h ASP 87 CO -0.83 -0.39 0.34 -0.07 -1.03 0.00 0.00 179.24 177.25 1s5y h LEU 88 N -1.00 0.00 -0.03 0.15 3.38 -1.28 -0.50 115.31 116.03 1s5y h LEU 88 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1s5y h LEU 88 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1s5y h LEU 88 CO 0.14 0.00 0.00 -1.28 0.09 0.00 0.00 178.44 177.39 1s5y h SER 89 N 0.00 0.04 -0.76 -0.43 0.87 -0.53 -2.40 113.55 110.33 1s5y h SER 89 Ca 0.17 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1s5y h SER 89 Cb 0.84 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.75 1s5y h SER 89 CO -0.00 0.29 0.39 0.74 -0.53 0.00 0.00 176.83 177.72 1s5y h THR 90 N -0.20 1.24 0.29 2.23 2.02 -0.82 0.14 112.91 117.81 1s5y h THR 90 Ca 0.01 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1s5y h THR 90 Cb 0.26 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1s5y h THR 90 CO 0.00 0.28 -0.46 0.25 0.37 0.00 0.00 175.52 175.96 1s5y h LEU 91 N 1.10 -1.31 -0.76 2.58 5.85 -1.09 -0.89 115.31 120.79 1s5y h LEU 91 Ca 0.27 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 59.03 1s5y h LEU 91 Cb 0.08 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1s5y h LEU 91 CO -0.04 -0.57 0.01 0.45 -0.34 0.00 0.00 178.44 177.95 1s5y h HIS 92 N -0.81 1.02 0.00 1.25 3.86 -1.23 -2.11 115.15 117.13 1s5y h HIS 92 Ca -0.02 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1s5y h HIS 92 Cb 0.76 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1s5y h HIS 92 CO -0.32 0.91 0.00 0.45 0.86 0.00 0.00 177.93 179.84 1s5y n SER 93 N -4.19 0.00 -0.25 2.45 2.88 0.47 -1.68 113.62 113.29 1s5y n SER 93 Ca 0.03 0.24 0.07 0.00 -1.33 0.00 0.00 58.87 57.89 1s5y n SER 93 Cb 0.32 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.11 1s5y n SER 93 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1s5y h GLU 94 N 0.00 0.80 0.00 -1.46 4.57 -1.35 -3.11 114.58 114.04 1s5y h GLU 94 Ca 0.00 -0.05 -0.36 0.00 -1.18 0.00 0.00 59.36 57.77 1s5y h GLU 94 Cb 0.00 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.35 1s5y h GLU 94 CO 0.00 0.53 -2.25 1.17 -1.18 0.00 0.00 179.01 177.28 1s5y n LYS 95 N -4.51 0.50 0.21 1.92 4.81 -1.10 -4.69 118.16 115.30 1s5y n LYS 95 Ca 0.14 0.18 0.11 0.00 -0.87 0.00 0.00 58.31 57.87 1s5y n LYS 95 Cb 0.30 -1.35 0.15 0.00 0.02 0.00 0.00 35.03 34.15 1s5y n LYS 95 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1s5y h LEU 96 N -0.54 0.00 -2.24 3.14 -0.00 -1.41 -3.49 115.31 110.77 1s5y h LEU 96 Ca -0.54 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.16 1s5y h LEU 96 Cb 1.58 0.00 0.12 0.00 -0.00 0.00 0.00 40.66 42.36 1s5y h LEU 96 CO -0.26 0.07 -0.51 1.41 -0.00 0.00 0.00 178.44 179.15 1s5y n HIS 97 N -3.11 -1.47 -3.56 1.13 8.25 -0.77 -5.01 115.22 110.68 1s5y n HIS 97 Ca 0.04 0.57 -0.37 0.00 -0.26 0.00 0.00 57.72 57.69 1s5y n HIS 97 Cb 0.56 -3.72 -0.07 0.00 1.12 0.00 0.00 29.99 27.88 1s5y n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1s5y s VAL 98 N -3.24 5.27 -0.01 1.59 1.01 -0.68 -5.05 120.40 119.30 1s5y s VAL 98 Ca 0.15 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1s5y s VAL 98 Cb -0.02 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1s5y s VAL 98 CO 0.46 0.45 1.15 -0.62 0.00 0.00 0.00 175.10 176.54 1s5y s ASP 99 N -0.01 7.13 0.50 3.32 2.15 -1.26 -4.76 116.67 123.75 1s5y s ASP 99 Ca 0.18 1.84 0.29 0.00 0.43 0.00 0.00 52.55 55.29 1s5y s ASP 99 Cb -0.14 -2.57 1.38 0.00 -0.30 0.00 0.00 42.92 41.30 1s5y s ASP 99 CO 0.06 -0.48 1.84 1.55 -0.17 0.00 0.00 175.17 177.97 1s5y h PRO 100 N 7.09 0.12 -0.24 4.34 0.13 -1.96 0.11 132.00 141.59 1s5y h PRO 100 Ca -0.38 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1s5y h PRO 100 Cb 1.19 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1s5y h PRO 100 CO 0.83 0.08 0.15 0.22 -0.23 0.00 0.00 178.00 179.05 1s5y h ASP 101 N 0.12 0.28 0.12 1.44 3.58 -2.00 -2.03 116.42 117.93 1s5y h ASP 101 Ca 0.50 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.94 1s5y h ASP 101 Cb 1.75 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.73 1s5y h ASP 101 CO -0.08 0.21 -0.01 0.78 -2.88 0.00 0.00 179.24 177.26 1s5y h ASN 102 N 0.33 0.00 -0.10 2.28 2.35 -1.15 -2.25 115.58 117.04 1s5y h ASN 102 Ca 0.09 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.64 1s5y h ASN 102 Cb -0.03 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.35 1s5y h ASN 102 CO -0.02 0.01 -0.71 -0.26 -1.65 0.00 0.00 177.43 174.80 1s5y h PHE 103 N 0.00 0.91 -0.03 1.19 0.04 -1.51 -2.57 116.94 114.97 1s5y h PHE 103 Ca -0.00 -0.42 -0.06 0.00 2.80 0.00 0.00 57.97 60.29 1s5y h PHE 103 Cb 0.07 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1s5y h PHE 103 CO 0.00 1.24 -0.25 -0.22 -0.60 0.00 0.00 178.31 178.48 1s5y h LYS 104 N 0.32 0.05 -0.12 1.51 3.11 -1.52 -1.19 116.57 118.73 1s5y h LYS 104 Ca -0.06 -0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 57.56 1s5y h LYS 104 Cb 1.36 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 1s5y h LYS 104 CO 0.15 0.30 -0.76 -0.07 -2.81 0.00 0.00 179.45 176.26 1s5y h LEU 105 N 0.05 0.75 -0.47 5.20 3.38 -1.41 -2.66 115.31 120.14 1s5y h LEU 105 Ca 0.01 -0.49 -0.14 0.00 0.09 0.00 0.00 57.88 57.35 1s5y h LEU 105 Cb 0.47 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1s5y h LEU 105 CO 0.03 1.26 -0.25 0.25 0.09 0.00 0.00 178.44 179.83 1s5y h LEU 106 N 0.43 1.03 -0.45 1.67 5.85 -1.24 -2.87 115.31 119.72 1s5y h LEU 106 Ca -0.04 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.36 1s5y h LEU 106 Cb 1.36 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 42.02 1s5y h LEU 106 CO 0.15 1.21 -0.17 -1.28 -0.34 0.00 0.00 178.44 178.00 1s5y h SER 107 N 0.84 -0.60 -0.70 1.25 0.87 -1.10 0.56 113.55 114.67 1s5y h SER 107 Ca 0.10 0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1s5y h SER 107 Cb 0.84 0.35 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 1s5y h SER 107 CO 0.07 -0.21 0.33 0.44 -0.53 0.00 0.00 176.83 176.94 1s5y h ASP 108 N -0.07 0.94 -0.55 6.23 3.32 -1.34 -2.01 116.42 122.94 1s5y h ASP 108 Ca 0.22 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1s5y h ASP 108 Cb 0.41 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1s5y h ASP 108 CO -0.50 0.81 0.11 0.00 -1.72 0.00 0.00 179.24 177.94 1s5y h ILE 110 N 0.80 1.11 -0.59 0.00 2.04 -0.69 -0.54 117.51 119.64 1s5y h ILE 110 Ca 0.17 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1s5y h ILE 110 Cb 0.38 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1s5y h ILE 110 CO 0.01 0.10 0.36 0.74 0.00 0.00 0.00 178.15 179.36 1s5y h THR 111 N 0.52 1.06 -0.60 -0.27 2.02 -1.01 -1.06 112.91 113.58 1s5y h THR 111 Ca 0.14 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 1s5y h THR 111 Cb -0.05 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1s5y h THR 111 CO -0.03 0.13 -0.02 0.40 0.37 0.00 0.00 175.52 176.37 1s5y h ILE 112 N 0.70 1.27 -0.57 3.11 2.04 -0.68 -1.15 117.51 122.23 1s5y h ILE 112 Ca 0.24 -1.18 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 1s5y h ILE 112 Cb 0.03 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1s5y h ILE 112 CO -0.10 0.43 0.00 0.58 0.00 0.00 0.00 178.15 179.06 1s5y h VAL 113 N 0.97 1.26 -0.42 1.67 2.07 -0.89 -2.51 116.25 118.41 1s5y h VAL 113 Ca 0.17 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 1s5y h VAL 113 Cb 0.58 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1s5y h VAL 113 CO 0.03 0.41 0.09 0.25 0.02 0.00 0.00 177.57 178.37 1s5y h LEU 114 N 0.89 0.65 -1.33 2.57 5.85 -1.06 -2.64 115.31 120.24 1s5y h LEU 114 Ca 0.16 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1s5y h LEU 114 Cb 0.54 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1s5y h LEU 114 CO 0.03 0.72 0.49 0.00 -0.34 0.00 0.00 178.44 179.34 1s5y h ALA 115 N 0.95 1.63 0.00 1.25 0.00 -1.07 0.16 119.26 122.17 1s5y h ALA 115 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1s5y h ALA 115 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1s5y h ALA 115 CO 0.00 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1s5y n ALA 116 N -2.44 2.14 -0.11 0.00 0.00 -0.96 -1.37 120.51 117.78 1s5y n ALA 116 Ca 0.10 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 1s5y n ALA 116 Cb 0.17 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 1s5y n ALA 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1s5y n LYS 117 N -1.52 0.57 0.00 0.00 3.00 -0.08 -4.36 118.16 115.77 1s5y n LYS 117 Ca 0.06 0.50 0.14 0.00 -0.00 0.00 0.00 58.31 59.02 1s5y n LYS 117 Cb 0.29 -1.69 0.64 0.00 0.00 0.00 0.00 35.03 34.27 1s5y n LYS 117 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1s5y n MET 118 N -4.40 0.31 0.00 1.64 2.81 -0.50 -4.97 117.12 112.02 1s5y n MET 118 Ca -0.36 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.47 1s5y n MET 118 Cb 0.72 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 1s5y n MET 118 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s5y n GLY 119 N 1.37 2.54 0.00 3.03 0.00 -0.47 -0.32 105.19 111.33 1s5y n GLY 119 Ca 0.11 0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.40 1s5y n GLY 119 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s5y n HIS 120 N 14.00 0.00 0.44 1.61 8.25 -1.26 -1.62 115.22 136.64 1s5y n HIS 120 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1s5y n HIS 120 Cb 0.00 -0.27 0.18 0.00 1.12 0.00 0.00 29.99 31.02 1s5y n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5y h ALA 121 N 2.51 0.70 -0.14 -1.41 0.00 -1.06 -3.37 119.26 116.49 1s5y h ALA 121 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1s5y h ALA 121 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1s5y h ALA 121 CO 0.00 0.00 3.12 0.34 0.00 0.00 0.00 179.25 182.71 1s5y n PHE 122 N -2.39 3.20 -1.03 0.00 7.35 -0.64 -4.88 117.46 119.07 1s5y n PHE 122 Ca 0.03 -2.97 -0.29 0.00 -0.76 0.00 0.00 57.45 53.46 1s5y n PHE 122 Cb 0.47 -2.44 0.19 0.00 0.35 0.00 0.00 39.48 38.05 1s5y n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1s5y s THR 123 N 2.47 2.13 0.28 -2.13 -4.23 -1.26 -4.75 115.64 108.15 1s5y s THR 123 Ca 0.51 0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1s5y s THR 123 Cb 0.14 -2.44 0.27 0.00 1.34 0.00 0.00 72.50 71.82 1s5y s THR 123 CO -0.07 -0.06 1.92 0.00 -0.54 0.00 0.00 174.62 175.87 1s5y h ALA 124 N -2.01 1.42 -0.40 3.99 0.00 -1.96 -0.89 119.26 119.40 1s5y h ALA 124 Ca -0.55 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 1s5y h ALA 124 Cb 1.32 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1s5y h ALA 124 CO 0.55 0.48 -0.13 1.49 0.00 0.00 0.00 179.25 181.64 1s5y h GLU 125 N 1.15 0.72 -0.38 0.00 4.81 -1.97 -0.91 114.58 118.00 1s5y h GLU 125 Ca 0.38 -0.24 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 1s5y h GLU 125 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1s5y h GLU 125 CO -0.12 0.82 -0.36 1.15 -0.73 0.00 0.00 179.01 179.77 1s5y h THR 126 N 0.66 1.27 -0.61 0.32 2.02 -1.74 -2.73 112.91 112.10 1s5y h THR 126 Ca 0.11 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 1s5y h THR 126 Cb 0.59 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1s5y h THR 126 CO 0.04 0.51 0.35 -0.61 0.37 0.00 0.00 175.52 176.18 1s5y h GLN 127 N 0.74 0.83 -0.61 6.66 4.15 -0.87 -0.97 115.11 125.04 1s5y h GLN 127 Ca 0.06 -0.08 0.07 0.00 0.77 0.00 0.00 58.65 59.47 1s5y h GLN 127 Cb 0.96 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 28.42 1s5y h GLN 127 CO 0.09 0.61 0.30 0.78 -1.93 0.00 0.00 178.83 178.68 1s5y h GLY 128 N 0.82 0.88 0.50 2.39 0.00 -1.01 0.28 103.07 106.94 1s5y h GLY 128 Ca 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1s5y h GLY 128 CO -0.04 0.09 -0.02 0.00 0.00 0.00 0.00 176.54 176.57 1s5y h ALA 129 N 1.35 -0.04 -0.81 3.60 0.00 -1.18 -2.41 119.26 119.76 1s5y h ALA 129 Ca 0.28 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1s5y h ALA 129 Cb 0.24 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1s5y h ALA 129 CO -0.22 -0.28 0.50 0.35 0.00 0.00 0.00 179.25 179.61 1s5y h PHE 130 N -0.54 0.93 -0.34 0.00 3.04 -1.01 -1.90 116.94 117.12 1s5y h PHE 130 Ca -0.00 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.88 1s5y h PHE 130 Cb 0.50 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1s5y h PHE 130 CO 0.09 0.48 -0.16 1.96 -2.02 0.00 0.00 178.31 178.67 1s5y h GLN 131 N 0.93 0.70 -1.01 1.11 4.20 -0.96 -2.13 115.11 117.95 1s5y h GLN 131 Ca 0.35 -0.30 0.06 0.00 0.06 0.00 0.00 58.65 58.81 1s5y h GLN 131 Cb 0.14 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 1s5y h GLN 131 CO -0.16 0.90 0.65 -0.22 -0.67 0.00 0.00 178.83 179.34 1s5y h LYS 132 N 0.48 1.17 -0.14 1.46 3.64 -1.18 0.31 116.57 122.31 1s5y h LYS 132 Ca 0.08 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1s5y h LYS 132 Cb 0.69 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1s5y h LYS 132 CO 0.05 0.77 0.03 0.35 -2.27 0.00 0.00 179.45 178.38 1s5y h PHE 133 N 1.20 0.23 -0.58 1.91 3.57 -1.21 -2.26 116.94 119.81 1s5y h PHE 133 Ca 0.43 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.89 1s5y h PHE 133 Cb 0.13 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1s5y h PHE 133 CO -0.00 0.39 0.34 -0.07 -2.23 0.00 0.00 178.31 176.74 1s5y h LEU 134 N 0.01 0.68 0.44 0.59 3.38 -0.84 -1.99 115.31 117.59 1s5y h LEU 134 Ca 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s5y h LEU 134 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1s5y h LEU 134 CO 0.00 0.53 -0.32 0.00 0.09 0.00 0.00 178.44 178.74 1s5y h ALA 135 N 1.59 -0.76 -0.78 1.53 0.00 -0.65 0.16 119.26 120.34 1s5y h ALA 135 Ca 0.21 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1s5y h ALA 135 Cb -0.03 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1s5y h ALA 135 CO -0.04 -0.95 0.48 0.28 0.00 0.00 0.00 179.25 179.02 1s5y h VAL 136 N -0.75 1.04 0.00 0.00 2.07 -1.25 -1.52 116.25 115.85 1s5y h VAL 136 Ca -0.04 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1s5y h VAL 136 Cb 0.63 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1s5y h VAL 136 CO 0.01 0.16 -0.30 0.58 0.02 0.00 0.00 177.57 178.04 1s5y h VAL 137 N 0.89 1.18 0.07 2.57 2.07 -0.97 -2.60 116.25 119.46 1s5y h VAL 137 Ca 0.34 -1.05 -0.25 0.00 0.82 0.00 0.00 66.70 66.55 1s5y h VAL 137 Cb 0.13 1.57 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1s5y h VAL 137 CO -0.16 0.30 -1.10 0.58 0.02 0.00 0.00 177.57 177.21 1s5y h VAL 138 N 0.00 1.44 -0.08 2.57 2.07 0.16 -2.82 116.25 119.59 1s5y h VAL 138 Ca -0.00 -2.73 -0.00 0.00 0.82 0.00 0.00 66.70 64.78 1s5y h VAL 138 Cb 0.55 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1s5y h VAL 138 CO 0.04 0.81 0.03 0.28 0.02 0.00 0.00 177.57 178.75 1s5y h SER 139 N 0.16 0.11 -0.70 0.57 0.02 -1.17 -0.85 113.55 111.68 1s5y h SER 139 Ca -0.11 -0.17 0.08 0.00 -0.84 0.00 0.00 61.79 60.75 1s5y h SER 139 Cb 1.78 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 64.23 1s5y h SER 139 CO 0.19 0.25 0.37 0.00 -1.14 0.00 0.00 176.83 176.50 1s5y h ALA 140 N 0.87 0.96 -0.16 3.77 0.00 -1.54 -2.33 119.26 120.82 1s5y h ALA 140 Ca 0.03 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1s5y h ALA 140 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1s5y h ALA 140 CO -0.00 0.01 -0.43 -0.07 0.00 0.00 0.00 179.25 178.76 1s5y h LEU 141 N 0.66 0.40 -4.27 0.00 3.38 -1.23 -3.19 115.31 111.05 1s5y h LEU 141 Ca 0.33 -0.18 -0.68 0.00 0.09 0.00 0.00 57.88 57.45 1s5y h LEU 141 Cb 0.28 -0.11 -0.32 0.00 0.09 0.00 0.00 40.66 40.60 1s5y h LEU 141 CO -0.22 0.78 0.52 0.61 0.09 0.00 0.00 178.44 180.22 1s5y n GLY 142 N -0.07 5.88 0.00 0.83 0.00 -0.35 -4.42 105.19 107.06 1s5y n GLY 142 Ca -0.02 -2.45 0.00 0.00 0.00 0.00 0.00 46.02 43.55 1s5y n GLY 142 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s5y n LYS 143 N -0.75 2.55 0.00 1.61 4.81 -1.01 -4.95 118.16 120.42 1s5y n LYS 143 Ca 0.56 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 58.13 1s5y n LYS 143 Cb 0.60 -0.93 0.33 0.00 0.02 0.00 0.00 35.03 35.04 1s5y n LYS 143 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61