#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1e s ILE 41 N 0.00 3.81 -0.50 0.58 -1.09 -1.26 -4.85 121.20 117.88 1j1e s ILE 41 Ca 0.00 0.25 -0.42 0.00 -2.23 0.00 0.00 60.65 58.25 1j1e s ILE 41 Cb 0.00 -3.53 -0.18 0.00 -1.58 0.00 0.00 42.46 37.16 1j1e s ILE 41 CO 0.00 -0.61 2.08 -1.54 -1.23 0.00 0.00 174.94 173.64 1j1e n SER 42 N -2.70 0.71 0.14 3.58 3.41 -1.26 -4.60 113.62 112.89 1j1e n SER 42 Ca 0.05 0.64 0.19 0.00 -0.26 0.00 0.00 58.87 59.49 1j1e n SER 42 Cb 0.57 -0.87 0.73 0.00 -0.26 0.00 0.00 64.21 64.38 1j1e n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j1e h ALA 43 N 8.78 1.97 -0.26 7.33 0.00 -2.01 1.69 119.26 136.75 1j1e h ALA 43 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1j1e h ALA 43 Cb 1.36 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1j1e h ALA 43 CO 1.06 -0.64 0.18 1.03 0.00 0.00 0.00 179.25 180.87 1j1e h SER 44 N 0.00 0.30 0.53 0.00 0.87 -2.01 -2.41 113.55 110.83 1j1e h SER 44 Ca 0.16 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1j1e h SER 44 Cb 1.10 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1j1e h SER 44 CO -0.00 0.22 -0.25 -0.09 -0.53 0.00 0.00 176.83 176.17 1j1e h ARG 45 N 0.36 -0.68 -0.72 2.24 9.65 0.22 -2.84 114.38 122.61 1j1e h ARG 45 Ca 0.10 0.05 0.13 0.00 -1.10 0.00 0.00 59.98 59.15 1j1e h ARG 45 Cb -0.04 0.16 -0.13 0.00 -1.39 0.00 0.00 29.97 28.56 1j1e h ARG 45 CO -0.02 -0.38 -0.30 0.87 2.80 0.00 0.00 179.97 182.94 1j1e h LYS 46 N -1.01 -0.08 0.05 0.20 1.57 -1.35 0.34 116.57 116.28 1j1e h LYS 46 Ca -0.07 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1j1e h LYS 46 Cb 0.62 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 1j1e h LYS 46 CO 0.12 -0.06 -0.26 1.25 -0.57 0.00 0.00 179.45 179.93 1j1e h LEU 47 N -0.09 -0.77 -0.77 2.94 6.46 -1.51 0.60 115.31 122.18 1j1e h LEU 47 Ca 0.29 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 58.25 1j1e h LEU 47 Cb 0.57 0.30 -0.07 0.00 -0.73 0.00 0.00 40.66 40.73 1j1e h LEU 47 CO -0.77 -0.34 0.42 -0.61 -0.62 0.00 0.00 178.44 176.51 1j1e h GLN 48 N -0.43 0.68 0.02 1.25 5.75 -0.89 1.00 115.11 122.50 1j1e h GLN 48 Ca 0.05 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1j1e h GLN 48 Cb 0.49 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1j1e h GLN 48 CO -0.20 0.45 -0.01 1.25 -2.65 0.00 0.00 178.83 177.67 1j1e h LEU 49 N 0.70 -0.03 0.65 -2.39 5.85 0.58 0.90 115.31 121.56 1j1e h LEU 49 Ca 0.37 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1j1e h LEU 49 Cb 0.37 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1j1e h LEU 49 CO -0.26 0.07 -0.33 0.11 -0.34 0.00 0.00 178.44 177.70 1j1e h LYS 50 N -0.13 -0.86 -0.96 1.25 1.57 0.15 2.47 116.57 120.06 1j1e h LYS 50 Ca -0.00 0.06 0.28 0.00 -1.87 0.00 0.00 60.65 59.11 1j1e h LYS 50 Cb 0.12 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1j1e h LYS 50 CO 0.01 -0.57 0.76 0.00 -0.57 0.00 0.00 179.45 179.07 1j1e h THR 51 N -0.89 0.41 0.19 -0.16 1.03 0.98 1.12 112.91 115.58 1j1e h THR 51 Ca -0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 65.97 1j1e h THR 51 Cb 0.69 0.46 0.01 0.00 -1.07 0.00 0.00 68.15 68.24 1j1e h THR 51 CO 0.13 0.00 -1.65 -0.07 -0.01 0.00 0.00 175.52 173.92 1j1e h LEU 52 N 0.00 0.62 -2.67 0.00 3.38 -0.17 -1.75 115.31 114.72 1j1e h LEU 52 Ca 0.46 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1j1e h LEU 52 Cb 1.96 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1j1e h LEU 52 CO -0.00 1.75 0.00 0.25 0.09 0.00 0.00 178.44 180.53 1j1e h LEU 53 N 0.05 0.00 0.07 1.67 5.85 1.22 -0.99 115.31 123.19 1j1e h LEU 53 Ca -0.32 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.02 1j1e h LEU 53 Cb 2.06 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.05 1j1e h LEU 53 CO 0.18 0.00 -2.19 0.18 -0.34 0.00 0.00 178.44 176.27 1j1e n LEU 54 N -3.04 2.75 -0.41 2.25 4.77 0.18 -3.72 117.00 119.79 1j1e n LEU 54 Ca -0.02 0.08 0.39 0.00 -0.03 0.00 0.00 56.01 56.43 1j1e n LEU 54 Cb 0.11 -1.03 0.74 0.00 -2.33 0.00 0.00 43.42 40.91 1j1e n LEU 54 CO 0.21 0.88 1.36 -0.61 -1.33 0.00 0.00 177.39 177.90 1j1e h GLN 55 N 0.01 0.00 0.02 3.23 4.15 -0.24 0.02 115.11 122.30 1j1e h GLN 55 Ca -0.49 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 58.79 1j1e h GLN 55 Cb 1.96 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.64 1j1e h GLN 55 CO 0.00 0.00 -0.74 0.97 -1.93 0.00 0.00 178.83 177.13 1j1e h ILE 56 N 0.00 1.31 -0.70 2.39 2.10 -1.60 -2.91 117.51 118.10 1j1e h ILE 56 Ca 0.65 -2.28 0.15 0.00 1.08 0.00 0.00 64.86 64.46 1j1e h ILE 56 Cb 2.75 2.79 -0.11 0.00 -1.09 0.00 0.00 36.82 41.16 1j1e h ILE 56 CO -0.01 0.49 0.11 0.00 -1.08 0.00 0.00 178.15 177.66 1j1e h ALA 57 N -0.22 0.83 -0.48 0.18 0.00 -1.11 2.28 119.26 120.73 1j1e h ALA 57 Ca -0.19 0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1j1e h ALA 57 Cb 1.24 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1j1e h ALA 57 CO -0.08 -0.36 0.32 -0.22 0.00 0.00 0.00 179.25 178.90 1j1e h LYS 58 N 0.21 0.61 -0.78 0.00 1.63 -1.44 0.97 116.57 117.76 1j1e h LYS 58 Ca 0.38 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 60.10 1j1e h LYS 58 Cb 0.65 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 1j1e h LYS 58 CO -0.53 0.40 0.30 0.37 -3.45 0.00 0.00 179.45 176.55 1j1e h GLN 59 N 0.63 1.17 -0.18 1.90 4.15 0.38 -2.99 115.11 120.16 1j1e h GLN 59 Ca 0.18 -0.22 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 1j1e h GLN 59 Cb -0.04 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.47 1j1e h GLN 59 CO -0.04 0.95 -0.36 0.93 -1.93 0.00 0.00 178.83 178.39 1j1e h GLU 60 N 1.13 0.56 -0.59 1.69 5.08 0.11 -3.11 114.58 119.45 1j1e h GLU 60 Ca 0.26 -0.36 0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1j1e h GLU 60 Cb 0.23 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.42 1j1e h GLU 60 CO -0.02 0.97 -0.04 1.25 -1.00 0.00 0.00 179.01 180.17 1j1e h LEU 61 N 0.21 -0.35 -1.97 1.33 5.85 -0.78 0.56 115.31 120.15 1j1e h LEU 61 Ca 0.01 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1j1e h LEU 61 Cb 0.95 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1j1e h LEU 61 CO 0.08 -0.14 -0.09 -0.08 -0.34 0.00 0.00 178.44 177.87 1j1e h GLU 62 N 0.08 0.00 0.12 1.25 4.57 -1.53 -2.11 114.58 116.95 1j1e h GLU 62 Ca 0.30 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1j1e h GLU 62 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1j1e h GLU 62 CO -0.54 0.09 -0.06 -0.09 -1.18 0.00 0.00 179.01 177.23 1j1e h ARG 63 N 0.00 -0.15 -0.63 1.92 2.43 0.13 -2.03 114.38 116.05 1j1e h ARG 63 Ca -0.00 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.36 1j1e h ARG 63 Cb 0.19 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1j1e h ARG 63 CO 0.01 0.30 0.48 1.49 -1.51 0.00 0.00 179.97 180.74 1j1e h GLU 64 N -0.68 0.00 0.38 0.20 4.81 -0.87 0.50 114.58 118.92 1j1e h GLU 64 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1j1e h GLU 64 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1j1e h GLU 64 CO 0.03 0.00 -0.18 0.00 -0.73 0.00 0.00 179.01 178.12 1j1e h ALA 65 N 1.64 -0.52 0.00 2.92 0.00 -1.10 -0.18 119.26 122.02 1j1e h ALA 65 Ca 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1j1e h ALA 65 Cb 1.25 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1j1e h ALA 65 CO -0.00 -0.68 -0.16 0.93 0.00 0.00 0.00 179.25 179.34 1j1e h GLU 66 N -0.74 0.00 0.31 0.00 4.39 -0.22 -0.77 114.58 117.55 1j1e h GLU 66 Ca -0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1j1e h GLU 66 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1j1e h GLU 66 CO 0.09 0.16 -0.15 0.93 -1.16 0.00 0.00 179.01 178.87 1j1e h GLU 67 N 0.00 -0.41 -0.65 2.33 5.08 -1.11 -2.27 114.58 117.55 1j1e h GLU 67 Ca -0.00 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1j1e h GLU 67 Cb 0.32 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.56 1j1e h GLU 67 CO 0.02 -0.23 -0.51 -0.09 -1.00 0.00 0.00 179.01 177.20 1j1e h ARG 68 N -1.09 -0.21 -0.71 2.33 2.43 -0.87 1.02 114.38 117.27 1j1e h ARG 68 Ca -0.04 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.29 1j1e h ARG 68 Cb 0.37 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1j1e h ARG 68 CO 0.07 -0.14 0.48 0.00 -1.51 0.00 0.00 179.97 178.87 1j1e h ARG 69 N -0.22 0.32 -0.02 0.20 3.08 -1.25 0.15 114.38 116.65 1j1e h ARG 69 Ca 0.15 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1j1e h ARG 69 Cb 0.54 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1j1e h ARG 69 CO -0.74 0.21 -0.07 0.78 -1.07 0.00 0.00 179.97 179.08 1j1e h GLY 70 N 0.33 0.09 0.18 0.04 0.00 0.92 -2.35 103.07 102.29 1j1e h GLY 70 Ca 0.35 -0.12 0.15 0.00 0.00 0.00 0.00 47.33 47.71 1j1e h GLY 70 CO -0.09 0.11 0.43 -2.09 0.00 0.00 0.00 176.54 174.89 1j1e h GLU 71 N -0.51 0.58 0.48 4.80 4.81 0.25 0.18 114.58 125.18 1j1e h GLU 71 Ca -0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1j1e h GLU 71 Cb 0.70 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1j1e h GLU 71 CO 0.01 0.38 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.23 1j1e h LYS 72 N 0.60 -0.62 -0.60 1.92 3.64 -0.78 -0.32 116.57 120.40 1j1e h LYS 72 Ca 0.47 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.99 1j1e h LYS 72 Cb 0.69 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 1j1e h LYS 72 CO -0.38 -0.32 0.40 0.78 -2.27 0.00 0.00 179.45 177.66 1j1e h GLY 73 N -0.88 0.57 0.71 5.01 0.00 -0.89 -0.02 103.07 107.57 1j1e h GLY 73 Ca -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1j1e h GLY 73 CO 0.11 0.10 -0.17 3.21 0.00 0.00 0.00 176.54 179.78 1j1e h ARG 74 N 0.41 -0.47 -0.07 4.80 3.08 -0.45 0.63 114.38 122.31 1j1e h ARG 74 Ca 0.28 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.38 1j1e h ARG 74 Cb 0.55 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1j1e h ARG 74 CO -0.08 -0.16 0.06 0.00 -1.07 0.00 0.00 179.97 178.72 1j1e h ALA 75 N -0.29 1.86 0.00 0.04 0.00 -0.53 -2.74 119.26 117.59 1j1e h ALA 75 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j1e h ALA 75 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1j1e h ALA 75 CO 0.08 -0.09 -1.23 1.28 0.00 0.00 0.00 179.25 179.29 1j1e n LEU 76 N -4.21 0.55 -0.14 0.00 4.77 -0.07 -4.55 117.00 113.36 1j1e n LEU 76 Ca -0.01 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.89 1j1e n LEU 76 Cb 0.16 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1j1e n LEU 76 CO 0.31 0.04 0.89 -1.28 -1.33 0.00 0.00 177.39 176.03 1j1e h SER 77 N 0.00 -0.04 -0.76 -1.43 0.87 0.58 -1.65 113.55 111.12 1j1e h SER 77 Ca 0.00 0.08 0.15 0.00 -1.23 0.00 0.00 61.79 60.80 1j1e h SER 77 Cb 0.78 0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 62.77 1j1e h SER 77 CO 0.00 0.01 0.27 0.74 -0.53 0.00 0.00 176.83 177.33 1j1e h THR 78 N 0.20 0.60 -0.52 2.23 2.02 -1.80 -1.91 112.91 113.74 1j1e h THR 78 Ca 0.22 -0.13 -0.12 0.00 0.77 0.00 0.00 66.41 67.15 1j1e h THR 78 Cb 0.30 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1j1e h THR 78 CO -0.31 0.07 -0.13 0.03 0.37 0.00 0.00 175.52 175.55 1j1e h ARG 79 N 0.39 1.00 0.00 6.66 2.47 -1.67 -3.02 114.38 120.20 1j1e h ARG 79 Ca 0.42 -0.39 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1j1e h ARG 79 Cb 0.68 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1j1e h ARG 79 CO -0.44 1.07 0.00 0.00 0.56 0.00 0.00 179.97 181.16 1j1e n ALA 80 N -2.50 1.19 -1.70 0.04 0.00 -0.69 -4.61 120.51 112.24 1j1e n ALA 80 Ca 0.01 0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1j1e n ALA 80 Cb 0.41 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1j1e n ALA 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1j1e s GLN 81 N -3.49 3.41 0.78 0.00 0.74 -1.15 -4.91 119.66 115.06 1j1e s GLN 81 Ca -0.01 2.05 -0.16 0.00 0.05 0.00 0.00 55.36 57.30 1j1e s GLN 81 Cb 0.07 -4.28 -0.05 0.00 1.10 0.00 0.00 33.01 29.84 1j1e s GLN 81 CO 0.24 -1.78 0.24 -2.30 -0.55 0.00 0.00 175.29 171.14 1j1e n PRO 82 N 8.38 0.11 -2.97 1.67 -0.02 -1.26 -4.90 135.00 136.01 1j1e n PRO 82 Ca 0.26 0.07 -0.40 0.00 -2.02 0.00 0.00 63.50 61.41 1j1e n PRO 82 Cb 0.44 -1.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 1j1e n PRO 82 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1j1e s LEU 83 N 1.39 4.33 -0.43 2.45 1.43 -1.26 -5.01 118.68 121.57 1j1e s LEU 83 Ca 0.59 1.30 -0.15 0.00 -1.03 0.00 0.00 54.13 54.84 1j1e s LEU 83 Cb -0.31 -3.20 0.04 0.00 0.03 0.00 0.00 46.19 42.74 1j1e s LEU 83 CO 0.64 -0.15 0.35 -0.70 0.23 0.00 0.00 176.35 176.72 1j1e s GLU 84 N 0.86 2.99 -0.00 1.70 2.12 -1.26 -4.78 118.70 120.33 1j1e s GLU 84 Ca 0.41 -1.08 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1j1e s GLU 84 Cb -0.18 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.18 1j1e s GLU 84 CO 0.20 -0.85 0.64 1.47 -0.54 0.00 0.00 175.26 176.19 1j1e n LEU 85 N 5.23 0.49 -0.20 2.70 -0.00 -1.26 -4.83 117.00 119.12 1j1e n LEU 85 Ca -0.11 -0.53 -0.01 0.00 -0.00 0.00 0.00 56.01 55.36 1j1e n LEU 85 Cb 0.46 -0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.93 1j1e n LEU 85 CO 0.43 0.13 0.73 0.00 -0.00 0.00 0.00 177.39 178.68 1j1e h ALA 86 N 0.00 0.37 -0.66 1.47 0.00 -2.03 0.22 119.26 118.63 1j1e h ALA 86 Ca 0.00 0.23 -0.35 0.00 0.00 0.00 0.00 54.91 54.79 1j1e h ALA 86 Cb 0.90 0.50 -0.20 0.00 0.00 0.00 0.00 17.79 18.98 1j1e h ALA 86 CO 0.00 -0.45 0.45 0.41 0.00 0.00 0.00 179.25 179.66 1j1e n GLY 87 N -1.43 3.77 0.00 0.00 0.00 -1.26 -4.62 105.19 101.65 1j1e n GLY 87 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1j1e n GLY 87 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j1e n LEU 88 N -0.53 0.61 0.00 0.99 7.94 0.78 -5.09 117.00 121.71 1j1e n LEU 88 Ca 0.40 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1j1e n LEU 88 Cb 1.20 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.79 1j1e n LEU 88 CO 0.42 -0.35 0.00 0.61 -1.11 0.00 0.00 177.39 176.96 1j1e n GLY 89 N 1.21 3.92 0.30 -3.96 0.00 -1.26 -4.80 105.19 100.60 1j1e n GLY 89 Ca 0.00 -1.42 0.08 0.00 0.00 0.00 0.00 46.02 44.68 1j1e n GLY 89 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1j1e h PHE 90 N 0.00 0.69 0.83 1.61 3.57 -1.98 0.30 116.94 121.96 1j1e h PHE 90 Ca 0.00 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1j1e h PHE 90 Cb 0.00 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 38.57 1j1e h PHE 90 CO 0.00 0.10 -0.40 0.00 -2.23 0.00 0.00 178.31 175.79 1j1e h ALA 91 N 1.59 -1.11 -0.25 2.41 0.00 -2.01 -2.64 119.26 117.25 1j1e h ALA 91 Ca 0.48 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1j1e h ALA 91 Cb 0.75 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1j1e h ALA 91 CO -0.41 -1.12 0.02 0.93 0.00 0.00 0.00 179.25 178.67 1j1e h GLU 92 N -1.11 0.11 -1.00 0.00 3.07 -1.76 -2.58 114.58 111.30 1j1e h GLU 92 Ca -0.11 -0.01 0.23 0.00 -0.50 0.00 0.00 59.36 58.97 1j1e h GLU 92 Cb 0.85 -0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 28.62 1j1e h GLU 92 CO 0.19 0.07 0.60 -0.07 -1.40 0.00 0.00 179.01 178.39 1j1e h LEU 93 N 0.11 0.70 0.49 1.33 3.38 -0.39 0.13 115.31 121.06 1j1e h LEU 93 Ca 0.12 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1j1e h LEU 93 Cb 0.14 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1j1e h LEU 93 CO -0.18 0.14 -0.24 1.56 0.09 0.00 0.00 178.44 179.81 1j1e h GLN 94 N 0.62 -0.63 -0.84 1.13 1.08 -1.10 0.32 115.11 115.68 1j1e h GLN 94 Ca 0.63 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.97 1j1e h GLN 94 Cb 1.15 0.14 -0.12 0.00 -0.05 0.00 0.00 27.48 28.60 1j1e h GLN 94 CO -0.46 -0.35 -0.51 0.22 -0.95 0.00 0.00 178.83 176.79 1j1e h ASP 95 N -1.07 -1.82 0.32 1.46 1.82 -0.98 0.20 116.42 116.35 1j1e h ASP 95 Ca -0.07 0.30 -0.01 0.00 -0.39 0.00 0.00 57.03 56.86 1j1e h ASP 95 Cb 0.58 0.83 -0.01 0.00 0.68 0.00 0.00 39.33 41.41 1j1e h ASP 95 CO 0.11 -0.29 -0.29 0.25 -1.61 0.00 0.00 179.24 177.41 1j1e h LEU 96 N -0.10 -0.78 -1.50 2.28 5.85 -0.75 0.77 115.31 121.09 1j1e h LEU 96 Ca 0.20 0.06 0.28 0.00 0.84 0.00 0.00 57.88 59.26 1j1e h LEU 96 Cb 0.51 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1j1e h LEU 96 CO -0.86 -0.39 0.70 0.00 -0.34 0.00 0.00 178.44 177.55 1j1e h ALA 97 N -1.31 2.41 -0.22 1.25 0.00 0.04 0.66 119.26 122.10 1j1e h ALA 97 Ca -0.04 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1j1e h ALA 97 Cb 0.51 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1j1e h ALA 97 CO -0.02 -0.81 -0.66 -0.09 0.00 0.00 0.00 179.25 177.68 1j1e h ARG 98 N 0.30 0.82 -0.32 0.00 2.43 -0.08 -2.63 114.38 114.90 1j1e h ARG 98 Ca 0.58 -0.58 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1j1e h ARG 98 Cb 1.65 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.29 1j1e h ARG 98 CO -0.24 1.21 0.10 1.96 -1.51 0.00 0.00 179.97 181.49 1j1e h GLN 99 N 0.60 0.50 -0.34 0.20 4.20 0.27 -2.40 115.11 118.13 1j1e h GLN 99 Ca -0.02 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1j1e h GLN 99 Cb 1.27 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 1j1e h GLN 99 CO 0.14 0.53 0.16 -0.07 -0.67 0.00 0.00 178.83 178.92 1j1e h LEU 100 N 0.37 0.45 -0.88 1.46 3.38 -0.95 -1.48 115.31 117.65 1j1e h LEU 100 Ca 0.10 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.10 1j1e h LEU 100 Cb 0.24 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 1j1e h LEU 100 CO -0.00 0.46 0.47 -0.74 0.09 0.00 0.00 178.44 178.72 1j1e h HIS 101 N 0.41 0.82 0.00 1.13 2.76 -1.38 0.63 115.15 119.52 1j1e h HIS 101 Ca 0.12 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1j1e h HIS 101 Cb 0.14 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.87 1j1e h HIS 101 CO -0.01 0.18 -0.02 0.00 -1.30 0.00 0.00 177.93 176.77 1j1e h ALA 102 N 1.58 1.02 0.20 5.26 0.00 -0.82 -3.10 119.26 123.40 1j1e h ALA 102 Ca 0.49 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 55.03 1j1e h ALA 102 Cb 0.72 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1j1e h ALA 102 CO -0.38 0.03 -1.72 -0.09 0.00 0.00 0.00 179.25 177.09 1j1e h ARG 103 N 0.00 0.41 -0.37 0.00 9.65 0.12 -3.20 114.38 120.99 1j1e h ARG 103 Ca -0.00 -0.71 0.05 0.00 -1.10 0.00 0.00 59.98 58.22 1j1e h ARG 103 Cb 0.42 0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 1j1e h ARG 103 CO 0.00 1.34 0.25 0.28 2.80 0.00 0.00 179.97 184.64 1j1e h VAL 104 N 0.11 0.98 0.24 0.20 2.07 -1.02 0.51 116.25 119.33 1j1e h VAL 104 Ca -0.33 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1j1e h VAL 104 Cb 2.11 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1j1e h VAL 104 CO 0.19 0.06 -0.11 0.44 0.02 0.00 0.00 177.57 178.16 1j1e h ASP 105 N 0.31 -0.27 -0.55 0.57 5.19 -1.62 -0.53 116.42 119.52 1j1e h ASP 105 Ca 0.16 -0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1j1e h ASP 105 Cb 0.24 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 1j1e h ASP 105 CO -0.03 0.08 0.35 0.50 -3.12 0.00 0.00 179.24 177.02 1j1e h LYS 106 N -0.64 0.70 0.42 3.56 3.64 -1.40 -2.52 116.57 120.32 1j1e h LYS 106 Ca -0.03 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1j1e h LYS 106 Cb 0.46 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1j1e h LYS 106 CO 0.05 0.46 -0.30 0.28 -2.27 0.00 0.00 179.45 177.68 1j1e h VAL 107 N 0.72 0.00 -1.03 2.00 2.07 -0.85 0.21 116.25 119.37 1j1e h VAL 107 Ca 0.21 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.02 1j1e h VAL 107 Cb -0.05 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.58 1j1e h VAL 107 CO -0.06 0.00 0.61 -0.78 0.02 0.00 0.00 177.57 177.36 1j1e h ASP 108 N -0.69 0.56 0.12 0.57 -0.00 -1.08 1.33 116.42 117.24 1j1e h ASP 108 Ca -0.06 0.15 -0.01 0.00 -0.00 0.00 0.00 57.03 57.12 1j1e h ASP 108 Cb 0.56 0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.97 1j1e h ASP 108 CO 0.03 -0.02 -0.06 -0.08 -0.00 0.00 0.00 179.24 179.11 1j1e h GLU 109 N 0.42 -0.16 -0.91 0.28 4.81 -0.93 1.63 114.58 119.72 1j1e h GLU 109 Ca 0.69 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 60.06 1j1e h GLU 109 Cb 1.53 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.86 1j1e h GLU 109 CO -0.51 -0.07 0.53 0.93 -0.73 0.00 0.00 179.01 179.17 1j1e h GLU 110 N -0.21 0.78 0.27 1.92 5.08 0.46 0.19 114.58 123.07 1j1e h GLU 110 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1j1e h GLU 110 Cb 0.17 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1j1e h GLU 110 CO 0.03 0.51 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.33 1j1e h ARG 111 N 0.80 -0.35 -0.26 2.33 2.43 0.13 -2.99 114.38 116.46 1j1e h ARG 111 Ca 0.47 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.71 1j1e h ARG 111 Cb 0.56 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.12 1j1e h ARG 111 CO -0.31 -0.07 -0.54 -0.92 -1.51 0.00 0.00 179.97 176.63 1j1e h TYR 112 N -0.64 -1.62 -0.93 2.20 3.20 0.37 -1.39 116.97 118.17 1j1e h TYR 112 Ca -0.04 0.07 0.16 0.00 3.14 0.00 0.00 58.73 62.06 1j1e h TYR 112 Cb 0.45 0.74 -0.16 0.00 1.54 0.00 0.00 36.73 39.30 1j1e h TYR 112 CO 0.01 -0.52 -0.34 -0.44 -1.64 0.00 0.00 178.16 175.23 1j1e h ASP 113 N -0.49 -1.25 0.55 -2.11 3.32 -0.69 0.70 116.42 116.45 1j1e h ASP 113 Ca 0.06 0.29 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 1j1e h ASP 113 Cb 0.64 0.69 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 1j1e h ASP 113 CO -0.51 -0.30 -0.32 -0.29 -1.72 0.00 0.00 179.24 176.10 1j1e h ILE 114 N -0.02 0.97 -0.49 0.35 2.10 -1.30 -2.31 117.51 116.81 1j1e h ILE 114 Ca 0.36 -1.22 -0.07 0.00 1.08 0.00 0.00 64.86 65.01 1j1e h ILE 114 Cb 0.62 1.71 -0.02 0.00 -1.09 0.00 0.00 36.82 38.04 1j1e h ILE 114 CO -0.94 0.31 0.02 -0.08 -1.08 0.00 0.00 178.15 176.38 1j1e h GLU 115 N 0.00 0.86 0.09 2.19 4.81 0.14 -2.00 114.58 120.67 1j1e h GLU 115 Ca -0.00 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1j1e h GLU 115 Cb 0.68 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1j1e h GLU 115 CO 0.04 0.89 -0.05 0.00 -0.73 0.00 0.00 179.01 179.16 1j1e h ALA 116 N 0.94 -0.12 -0.89 2.92 0.00 -0.55 0.17 119.26 121.73 1j1e h ALA 116 Ca 0.14 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.21 1j1e h ALA 116 Cb 0.49 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1j1e h ALA 116 CO 0.02 -0.57 0.58 -0.22 0.00 0.00 0.00 179.25 179.06 1j1e h LYS 117 N -0.13 0.49 0.00 0.00 3.64 -1.30 0.45 116.57 119.73 1j1e h LYS 117 Ca -0.01 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.16 1j1e h LYS 117 Cb 0.10 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1j1e h LYS 117 CO 0.02 0.33 -0.87 0.28 -2.27 0.00 0.00 179.45 176.93 1j1e h VAL 118 N 0.51 1.62 -0.14 2.00 2.07 -0.55 -3.15 116.25 118.61 1j1e h VAL 118 Ca 0.46 -2.97 -0.03 0.00 0.82 0.00 0.00 66.70 64.98 1j1e h VAL 118 Cb 0.99 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1j1e h VAL 118 CO -0.19 0.85 -0.03 0.74 0.02 0.00 0.00 177.57 178.96 1j1e h THR 119 N 0.00 1.29 -0.98 2.57 2.02 0.11 -1.92 112.91 115.98 1j1e h THR 119 Ca -0.01 -0.97 0.18 0.00 0.77 0.00 0.00 66.41 66.38 1j1e h THR 119 Cb 1.54 1.65 -0.09 0.00 -1.74 0.00 0.00 68.15 69.50 1j1e h THR 119 CO 0.11 0.28 0.61 0.11 0.37 0.00 0.00 175.52 177.01 1j1e h LYS 120 N -0.04 0.72 -0.68 6.66 1.57 -1.42 0.86 116.57 124.24 1j1e h LYS 120 Ca 0.04 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1j1e h LYS 120 Cb 0.45 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1j1e h LYS 120 CO 0.01 0.47 0.16 -0.91 -0.57 0.00 0.00 179.45 178.62 1j1e h ASN 121 N 0.74 1.03 -0.68 0.86 2.35 -1.38 -2.57 115.58 115.92 1j1e h ASN 121 Ca 0.54 -0.22 0.09 0.00 -0.55 0.00 0.00 56.30 56.16 1j1e h ASN 121 Cb 0.88 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.91 1j1e h ASN 121 CO -0.32 0.99 0.34 0.40 -1.65 0.00 0.00 177.43 177.19 1j1e h ILE 122 N 1.03 0.86 0.51 2.81 1.08 -0.07 -1.05 117.51 122.68 1j1e h ILE 122 Ca 0.22 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 1j1e h ILE 122 Cb 0.37 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1j1e h ILE 122 CO 0.00 0.11 -0.24 0.71 -0.69 0.00 0.00 178.15 178.04 1j1e h THR 123 N 0.59 0.31 -0.83 -0.27 1.35 -1.33 -2.26 112.91 110.47 1j1e h THR 123 Ca 0.33 -0.46 0.18 0.00 -0.55 0.00 0.00 66.41 65.91 1j1e h THR 123 Cb 0.33 0.44 -0.16 0.00 -1.73 0.00 0.00 68.15 67.04 1j1e h THR 123 CO -0.25 0.05 -0.14 -0.08 -0.25 0.00 0.00 175.52 174.85 1j1e h GLU 124 N -1.02 0.02 -0.80 4.72 4.81 -1.19 1.25 114.58 122.37 1j1e h GLU 124 Ca -0.07 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1j1e h GLU 124 Cb 0.61 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 1j1e h GLU 124 CO 0.11 0.01 0.51 0.82 -0.73 0.00 0.00 179.01 179.74 1j1e h ILE 125 N 0.02 1.13 -0.35 2.32 2.04 -1.19 0.19 117.51 121.67 1j1e h ILE 125 Ca 0.42 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1j1e h ILE 125 Cb 0.70 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1j1e h ILE 125 CO -0.82 0.18 0.04 0.00 0.00 0.00 0.00 178.15 177.55 1j1e h ALA 126 N 1.33 0.35 0.88 1.87 0.00 0.21 0.44 119.26 124.34 1j1e h ALA 126 Ca 0.32 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1j1e h ALA 126 Cb 0.01 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1j1e h ALA 126 CO -0.11 -0.37 -0.47 -0.44 0.00 0.00 0.00 179.25 177.86 1j1e h ASP 127 N 0.15 -1.16 -0.94 0.00 5.19 0.93 0.38 116.42 120.97 1j1e h ASP 127 Ca 0.17 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.74 1j1e h ASP 127 Cb 0.22 0.32 -0.07 0.00 0.18 0.00 0.00 39.33 39.97 1j1e h ASP 127 CO -0.25 -0.76 0.60 -0.07 -3.12 0.00 0.00 179.24 175.63 1j1e h LEU 128 N -1.24 0.83 -1.80 1.55 3.38 -0.54 0.52 115.31 118.01 1j1e h LEU 128 Ca -0.12 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1j1e h LEU 128 Cb 0.97 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1j1e h LEU 128 CO 0.16 0.47 -0.13 0.74 0.09 0.00 0.00 178.44 179.77 1j1e h THR 129 N 0.91 0.98 0.03 0.22 2.02 0.37 0.15 112.91 117.59 1j1e h THR 129 Ca 0.45 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1j1e h THR 129 Cb 0.48 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1j1e h THR 129 CO -0.21 0.13 -0.02 -0.61 0.37 0.00 0.00 175.52 175.18 1j1e h GLN 130 N 0.00 -0.04 -0.38 6.66 5.75 0.20 -3.17 115.11 124.12 1j1e h GLN 130 Ca -0.00 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1j1e h GLN 130 Cb 0.25 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.74 1j1e h GLN 130 CO 0.02 0.60 -0.43 -0.22 -2.65 0.00 0.00 178.83 176.15 1j1e h LYS 131 N -0.74 -0.24 -0.79 1.69 1.63 0.28 0.14 116.57 118.53 1j1e h LYS 131 Ca -0.00 0.02 0.25 0.00 -0.85 0.00 0.00 60.65 60.06 1j1e h LYS 131 Cb 0.66 0.06 -0.15 0.00 -0.60 0.00 0.00 32.23 32.20 1j1e h LYS 131 CO 0.01 -0.16 0.14 -0.89 -3.45 0.00 0.00 179.45 175.10 1j1e n ILE 132 N -4.72 -0.33 -0.05 2.00 5.41 0.44 -0.72 119.36 121.39 1j1e n ILE 132 Ca -0.02 1.70 -0.13 0.00 1.00 0.00 0.00 62.75 65.30 1j1e n ILE 132 Cb 0.25 -2.57 -0.07 0.00 -0.71 0.00 0.00 39.64 36.54 1j1e n ILE 132 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1j1e h PHE 133 N 0.00 0.44 0.00 1.39 3.57 -0.73 -2.87 116.94 118.74 1j1e h PHE 133 Ca 0.54 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 1j1e h PHE 133 Cb 1.23 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1j1e h PHE 133 CO -0.28 0.79 -0.12 -0.44 -2.23 0.00 0.00 178.31 176.03 1j1e h ASP 134 N -0.04 0.00 0.28 0.41 3.45 -0.15 -0.99 116.42 119.38 1j1e h ASP 134 Ca 0.01 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 57.21 1j1e h ASP 134 Cb 0.74 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.52 1j1e h ASP 134 CO 0.04 0.12 -1.11 -0.07 -1.57 0.00 0.00 179.24 176.65 1j1e h LEU 135 N 0.00 0.67 0.00 1.55 3.38 -1.53 -3.52 115.31 115.86 1j1e h LEU 135 Ca -0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1j1e h LEU 135 Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1j1e h LEU 135 CO 0.02 1.42 0.00 -1.14 0.09 0.00 0.00 178.44 178.82 1j1e n ARG 136 N -3.73 1.90 -4.72 1.13 3.00 -0.38 -5.14 116.66 108.71 1j1e n ARG 136 Ca -0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.49 1j1e n ARG 136 Cb 0.93 0.00 -0.17 0.00 0.00 0.00 0.00 32.46 33.22 1j1e n ARG 136 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1j1e s ARG 148 N 0.00 2.00 -0.34 -0.14 0.52 -1.26 -5.08 118.95 114.65 1j1e s ARG 148 Ca 0.00 -0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 54.69 1j1e s ARG 148 Cb 0.00 -1.61 0.12 0.00 0.52 0.00 0.00 34.95 33.98 1j1e s ARG 148 CO 0.00 0.06 0.16 -1.50 0.02 0.00 0.00 175.30 174.04 1j1e s ILE 149 N 0.60 0.52 0.19 1.52 2.07 -1.26 -5.12 121.20 119.72 1j1e s ILE 149 Ca -0.15 -1.52 -0.31 0.00 -1.41 0.00 0.00 60.65 57.26 1j1e s ILE 149 Cb -0.16 -1.39 -0.09 0.00 0.13 0.00 0.00 42.46 40.94 1j1e s ILE 149 CO 0.05 -0.82 1.44 -0.44 -1.91 0.00 0.00 174.94 173.27 1j1e s SER 150 N 1.37 6.71 -0.01 4.50 0.01 -1.26 -4.97 113.70 120.05 1j1e s SER 150 Ca 0.13 2.55 -0.23 0.00 1.31 0.00 0.00 55.95 59.71 1j1e s SER 150 Cb -0.20 -2.61 -0.14 0.00 0.21 0.00 0.00 66.02 63.29 1j1e s SER 150 CO -0.17 -0.70 1.02 0.00 0.41 0.00 0.00 173.24 173.81 1j1e h ALA 151 N 5.90 -0.62 0.00 1.44 0.00 -2.00 0.95 119.26 124.94 1j1e h ALA 151 Ca -0.44 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1j1e h ALA 151 Cb 1.21 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1j1e h ALA 151 CO 0.83 -0.64 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 1j1e n ASP 152 N -5.21 0.00 -0.03 0.00 8.00 -1.26 0.12 116.55 118.17 1j1e n ASP 152 Ca -0.10 0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 1j1e n ASP 152 Cb 0.29 -0.30 -0.14 0.00 -0.02 0.00 0.00 41.12 40.95 1j1e n ASP 152 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j1e n ALA 153 N -1.30 1.28 0.12 2.24 0.00 -0.97 -3.21 120.51 118.66 1j1e n ALA 153 Ca 0.02 -0.80 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 1j1e n ALA 153 Cb 0.03 -0.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 1j1e n ALA 153 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1j1e h MET 154 N 0.03 -0.34 -0.20 0.00 1.85 0.35 -2.15 114.93 114.46 1j1e h MET 154 Ca -0.39 0.02 0.06 0.00 -0.61 0.00 0.00 59.70 58.78 1j1e h MET 154 Cb 2.04 0.08 -0.07 0.00 0.43 0.00 0.00 31.60 34.08 1j1e h MET 154 CO 0.06 0.02 -0.31 0.52 -0.40 0.00 0.00 176.91 176.80 1j1e h MET 155 N -0.86 -0.33 -0.64 0.39 2.07 -0.96 0.10 114.93 114.70 1j1e h MET 155 Ca -0.04 0.02 0.12 0.00 -2.07 0.00 0.00 59.70 57.74 1j1e h MET 155 Cb 0.51 0.07 -0.12 0.00 -1.87 0.00 0.00 31.60 30.19 1j1e h MET 155 CO 0.06 -0.22 -0.27 0.37 1.07 0.00 0.00 176.91 177.92 1j1e h GLN 156 N -0.34 -0.09 0.23 1.72 5.75 -1.61 1.42 115.11 122.18 1j1e h GLN 156 Ca 0.12 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1j1e h GLN 156 Cb 0.53 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 1j1e h GLN 156 CO -0.39 -0.06 -0.36 0.00 -2.65 0.00 0.00 178.83 175.36 1j1e h ALA 157 N 1.29 -0.70 -0.09 3.38 0.00 -0.37 -0.28 119.26 122.48 1j1e h ALA 157 Ca 0.28 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1j1e h ALA 157 Cb 0.54 0.57 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1j1e h ALA 157 CO -0.70 -0.94 -0.49 -0.07 0.00 0.00 0.00 179.25 177.04 1j1e h LEU 158 N -0.66 0.60 -2.25 0.00 3.38 0.91 -3.36 115.31 113.93 1j1e h LEU 158 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1j1e h LEU 158 Cb 0.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1j1e h LEU 158 CO -0.15 1.15 0.00 0.18 0.09 0.00 0.00 178.44 179.71 1j1e n LEU 159 N -4.25 2.92 0.00 1.67 4.77 0.47 -4.53 117.00 118.05 1j1e n LEU 159 Ca -0.08 -1.50 0.12 0.00 -0.03 0.00 0.00 56.01 54.51 1j1e n LEU 159 Cb 0.60 -0.18 0.66 0.00 -2.33 0.00 0.00 43.42 42.17 1j1e n LEU 159 CO 0.46 0.64 0.90 0.61 -1.33 0.00 0.00 177.39 178.67 1j1e n GLY 160 N 1.00 -0.90 0.43 -0.72 0.00 -0.12 -4.23 105.19 100.66 1j1e n GLY 160 Ca 0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1j1e n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1e h ALA 161 N 3.33 -0.65 -0.13 4.61 0.00 -1.80 0.37 119.26 125.00 1j1e h ALA 161 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1j1e h ALA 161 Cb 0.10 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1j1e h ALA 161 CO 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 179.25 178.15 1j1e h ARG 162 N -0.37 -0.12 -0.20 0.00 2.47 -1.97 -1.00 114.38 113.18 1j1e h ARG 162 Ca 0.10 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.75 1j1e h ARG 162 Cb 0.60 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1j1e h ARG 162 CO -0.59 -0.08 -0.20 0.00 0.56 0.00 0.00 179.97 179.66 1j1e h ALA 163 N 0.96 0.29 0.00 0.04 0.00 -1.79 -1.64 119.26 117.13 1j1e h ALA 163 Ca 0.09 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1j1e h ALA 163 Cb 0.25 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1j1e h ALA 163 CO -0.21 0.22 -0.52 0.87 0.00 0.00 0.00 179.25 179.61 1j1e h LYS 164 N 0.16 -0.64 0.52 0.00 1.79 -0.05 0.66 116.57 119.00 1j1e h LYS 164 Ca 0.03 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1j1e h LYS 164 Cb 0.74 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1j1e h LYS 164 CO 0.05 -0.43 -0.32 0.93 -1.08 0.00 0.00 179.45 178.60 1j1e h GLU 165 N -0.67 -0.75 -1.18 3.15 5.08 -1.23 -2.05 114.58 116.92 1j1e h GLU 165 Ca 0.02 0.05 0.42 0.00 -1.00 0.00 0.00 59.36 58.84 1j1e h GLU 165 Cb 0.72 0.17 -0.15 0.00 0.50 0.00 0.00 28.75 29.99 1j1e h GLU 165 CO -0.35 -0.50 0.72 0.77 -1.00 0.00 0.00 179.01 178.64 1j1e h SER 166 N -0.78 0.31 -0.08 1.42 0.02 -1.01 0.81 113.55 114.23 1j1e h SER 166 Ca -0.07 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1j1e h SER 166 Cb 0.62 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 1j1e h SER 166 CO 0.07 -0.26 0.01 -0.07 -1.14 0.00 0.00 176.83 175.45 1j1e h LEU 167 N 0.09 0.12 -1.11 5.07 3.38 0.79 -1.53 115.31 122.13 1j1e h LEU 167 Ca 0.82 -0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.66 1j1e h LEU 167 Cb 2.36 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 43.00 1j1e h LEU 167 CO -0.55 0.35 0.61 0.44 0.09 0.00 0.00 178.44 179.38 1j1e h ASP 168 N -0.11 0.84 0.27 -0.43 3.32 0.13 0.87 116.42 121.32 1j1e h ASP 168 Ca 0.02 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1j1e h ASP 168 Cb 0.28 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1j1e h ASP 168 CO 0.00 0.44 -0.13 0.25 -1.72 0.00 0.00 179.24 178.08 1j1e h LEU 169 N 0.89 -0.31 -1.62 1.55 5.85 -1.16 0.46 115.31 120.97 1j1e h LEU 169 Ca 0.48 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1j1e h LEU 169 Cb 0.56 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1j1e h LEU 169 CO -0.24 0.00 0.29 -0.09 -0.34 0.00 0.00 178.44 178.06 1j1e h ARG 170 N -0.65 0.49 -0.41 1.25 2.43 -0.51 -1.17 114.38 115.82 1j1e h ARG 170 Ca -0.04 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1j1e h ARG 170 Cb 0.46 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1j1e h ARG 170 CO 0.06 0.32 0.08 0.00 -1.51 0.00 0.00 179.97 178.93 1j1e h ALA 171 N 1.74 0.54 -0.25 2.80 0.00 0.12 -1.82 119.26 122.39 1j1e h ALA 171 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1j1e h ALA 171 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1j1e h ALA 171 CO -0.04 0.24 0.04 1.25 0.00 0.00 0.00 179.25 180.74 1j1e h HIS 172 N 0.52 0.44 -0.47 0.00 -0.00 0.10 -2.56 115.15 113.19 1j1e h HIS 172 Ca 0.13 -0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1j1e h HIS 172 Cb 0.34 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 1j1e h HIS 172 CO 0.02 0.53 0.21 -0.07 -0.00 0.00 0.00 177.93 178.63 1j1e h LEU 173 N 0.22 0.63 -0.59 0.26 3.38 -1.29 -2.56 115.31 115.36 1j1e h LEU 173 Ca 0.08 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.02 1j1e h LEU 173 Cb 0.33 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 1j1e h LEU 173 CO 0.01 0.60 -0.01 0.11 0.09 0.00 0.00 178.44 179.24 1j1e h LYS 174 N 0.62 0.11 -0.85 1.13 1.57 -1.13 0.28 116.57 118.29 1j1e h LYS 174 Ca 0.16 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1j1e h LYS 174 Cb 0.15 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 1j1e h LYS 174 CO -0.02 0.07 0.52 0.37 -0.57 0.00 0.00 179.45 179.83 1j1e h GLN 175 N 0.11 0.91 -0.11 3.15 5.75 -1.06 0.75 115.11 124.61 1j1e h GLN 175 Ca 0.31 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.66 1j1e h GLN 175 Cb 0.49 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1j1e h GLN 175 CO -0.51 0.60 -0.36 0.28 -2.65 0.00 0.00 178.83 176.19 1j1e h VAL 176 N 0.94 1.28 0.38 2.39 2.07 -0.32 0.11 116.25 123.10 1j1e h VAL 176 Ca 0.38 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1j1e h VAL 176 Cb 0.20 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1j1e h VAL 176 CO -0.18 0.41 -0.18 0.11 0.02 0.00 0.00 177.57 177.75 1j1e h LYS 177 N 0.19 -0.49 -0.44 1.57 1.79 0.60 0.15 116.57 119.93 1j1e h LYS 177 Ca 0.02 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.60 1j1e h LYS 177 Cb 0.73 0.11 -0.09 0.00 -1.58 0.00 0.00 32.23 31.39 1j1e h LYS 177 CO 0.05 -0.18 -0.43 -0.22 -1.08 0.00 0.00 179.45 177.60 1j1e h LYS 178 N -0.86 -0.29 -0.20 3.15 3.64 -0.68 0.40 116.57 121.73 1j1e h LYS 178 Ca -0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1j1e h LYS 178 Cb 0.54 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1j1e h LYS 178 CO 0.09 -0.19 0.13 0.93 -2.27 0.00 0.00 179.45 178.13 1j1e h GLU 179 N -0.30 0.26 -0.02 1.90 5.08 -0.76 0.12 114.58 120.85 1j1e h GLU 179 Ca 0.15 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1j1e h GLU 179 Cb 0.58 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1j1e h GLU 179 CO -0.60 0.17 -0.56 -0.44 -1.00 0.00 0.00 179.01 176.58 1j1e h ASP 180 N 0.26 0.08 0.08 1.42 5.19 0.25 -2.64 116.42 121.06 1j1e h ASP 180 Ca 0.07 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.37 1j1e h ASP 180 Cb -0.02 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1j1e h ASP 180 CO -0.02 0.62 -0.24 0.74 -3.12 0.00 0.00 179.24 177.23 1j1e h THR 181 N 0.05 1.24 0.00 0.35 2.02 0.22 -1.64 112.91 115.15 1j1e h THR 181 Ca -0.00 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1j1e h THR 181 Cb 1.01 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1j1e h THR 181 CO 0.08 0.34 -0.03 -0.08 0.37 0.00 0.00 175.52 176.19 1j1e h GLU 182 N 0.25 0.00 0.11 6.66 4.81 -1.01 -2.16 114.58 123.24 1j1e h GLU 182 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1j1e h GLU 182 Cb 0.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1j1e h GLU 182 CO 0.04 0.03 -0.10 0.87 -0.73 0.00 0.00 179.01 179.12 1j1e h LYS 183 N 0.00 -0.22 -1.02 1.92 1.57 -1.34 -1.03 116.57 116.46 1j1e h LYS 183 Ca -0.00 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.04 1j1e h LYS 183 Cb 0.11 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.38 1j1e h LYS 183 CO 0.00 -0.14 0.65 1.05 -0.57 0.00 0.00 179.45 180.44 1j1e h GLU 184 N -0.22 0.41 -0.15 3.15 4.11 -1.48 -2.84 114.58 117.56 1j1e h GLU 184 Ca 0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.36 1j1e h GLU 184 Cb 0.21 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1j1e h GLU 184 CO -0.02 0.27 -0.10 -0.97 0.07 0.00 0.00 179.01 178.26 1j1e h ASN 185 N 0.42 0.35 -0.73 3.06 -1.24 -1.18 -3.16 115.58 113.10 1j1e h ASN 185 Ca 0.57 -0.44 0.09 0.00 0.71 0.00 0.00 56.30 57.23 1j1e h ASN 185 Cb 1.41 -0.10 -0.11 0.00 0.73 0.00 0.00 38.32 40.25 1j1e h ASN 185 CO -0.28 0.72 -0.50 0.03 -1.29 0.00 0.00 177.43 176.10 1j1e h ARG 186 N -0.02 -0.16 0.00 6.67 3.08 -1.18 -2.89 114.38 119.88 1j1e h ARG 186 Ca 0.03 0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 1j1e h ARG 186 Cb 0.60 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1j1e h ARG 186 CO 0.03 -0.10 -0.83 0.93 -1.07 0.00 0.00 179.97 178.93 1j1e h GLU 187 N -0.16 0.00 -0.50 0.04 5.08 -1.75 -3.31 114.58 113.98 1j1e h GLU 187 Ca 0.17 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 1j1e h GLU 187 Cb 0.53 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1j1e h GLU 187 CO -0.79 0.83 0.15 0.28 -1.00 0.00 0.00 179.01 178.48 1j1e h VAL 188 N 0.00 0.79 0.00 3.13 2.07 -1.47 -3.49 116.25 117.28 1j1e h VAL 188 Ca -0.01 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1j1e h VAL 188 Cb 1.51 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1j1e h VAL 188 CO 0.11 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.36 1j1e n GLY 189 N -1.27 -0.18 0.00 2.17 0.00 -1.12 -5.07 105.19 99.72 1j1e n GLY 189 Ca 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1j1e n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j1e n ASP 190 N -0.68 0.00 -0.34 1.61 5.75 -1.26 -5.06 116.55 116.58 1j1e n ASP 190 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.82 1j1e n ASP 190 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 1j1e n ASP 190 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96