#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmw s ALA 62 N 0.00 2.97 0.28 1.79 0.00 -1.26 -5.03 121.76 120.51 2pmw s ALA 62 Ca 0.00 0.61 0.11 0.00 0.00 0.00 0.00 51.96 52.68 2pmw s ALA 62 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 2pmw s ALA 62 CO 0.00 -0.21 -0.19 0.95 0.00 0.00 0.00 175.76 176.31 2pmw s THR 63 N -1.90 2.40 -0.01 0.00 -4.23 -1.21 -4.99 115.64 105.70 2pmw s THR 63 Ca 0.63 -2.38 0.05 0.00 -1.18 0.00 0.00 61.69 58.81 2pmw s THR 63 Cb -0.17 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 2pmw s THR 63 CO 0.21 -0.40 -0.16 0.12 -0.54 0.00 0.00 174.62 173.85 2pmw s PHE 64 N -2.56 2.64 -0.01 3.99 5.36 -1.26 -1.49 117.98 124.66 2pmw s PHE 64 Ca 0.30 -0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 56.06 2pmw s PHE 64 Cb -0.04 -1.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 2pmw s PHE 64 CO 0.14 0.21 0.02 -1.01 -1.46 0.00 0.00 175.22 173.13 2pmw s HIS 65 N -0.82 -0.02 0.13 10.12 3.76 -0.33 -4.98 115.29 123.15 2pmw s HIS 65 Ca 0.13 0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 55.08 2pmw s HIS 65 Cb -0.11 -0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.54 2pmw s HIS 65 CO 0.03 -0.02 0.08 -0.98 -0.85 0.00 0.00 174.74 173.00 2pmw s ARG 66 N 0.09 0.93 0.27 1.40 1.70 -1.26 -0.89 118.95 121.19 2pmw s ARG 66 Ca -0.01 -1.38 -0.30 0.00 -0.47 0.00 0.00 55.73 53.57 2pmw s ARG 66 Cb -0.01 0.26 -0.11 0.00 -0.57 0.00 0.00 34.95 34.52 2pmw s ARG 66 CO -0.00 -0.27 1.60 0.00 -1.08 0.00 0.00 175.30 175.55 2pmw h ALA 68 N 5.26 1.00 -1.71 0.00 0.00 -2.00 -3.39 119.26 118.43 2pmw h ALA 68 Ca -0.46 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 2pmw h ALA 68 Cb 1.22 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 2pmw h ALA 68 CO 0.82 0.00 0.56 0.15 0.00 0.00 0.00 179.25 180.78 2pmw s LYS 69 N -3.35 3.18 0.18 0.00 -0.14 -1.26 -4.94 119.74 113.41 2pmw s LYS 69 Ca 0.05 -1.01 -0.13 0.00 -1.36 0.00 0.00 55.97 53.52 2pmw s LYS 69 Cb 0.09 -4.34 0.15 0.00 -1.68 0.00 0.00 37.83 32.05 2pmw s LYS 69 CO 0.56 -1.79 1.75 0.22 -0.76 0.00 0.00 175.35 175.33 2pmw h ASP 70 N 9.44 0.18 0.18 2.83 3.58 -1.99 0.77 116.42 131.41 2pmw h ASP 70 Ca -0.22 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2pmw h ASP 70 Cb 1.06 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2pmw h ASP 70 CO 1.17 0.13 0.00 1.55 -2.88 0.00 0.00 179.24 179.21 2pmw h PRO 71 N 0.35 0.00 -0.01 0.28 0.13 -1.94 -1.63 132.00 129.17 2pmw h PRO 71 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2pmw h PRO 71 Cb 0.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2pmw h PRO 71 CO -0.23 0.00 -0.18 0.91 -0.23 0.00 0.00 178.00 178.27 2pmw n TRP 72 N -2.34 0.00 -2.37 1.56 8.01 0.26 -4.93 117.44 117.63 2pmw n TRP 72 Ca -0.01 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.80 2pmw n TRP 72 Cb 0.09 -0.05 -0.03 0.00 -2.01 0.00 0.00 31.31 29.31 2pmw n TRP 72 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2pmw s ARG 73 N -2.28 4.10 -0.62 -0.99 0.52 -0.62 -0.83 118.95 118.24 2pmw s ARG 73 Ca 0.28 1.74 0.06 0.00 -0.52 0.00 0.00 55.73 57.29 2pmw s ARG 73 Cb 0.20 -2.65 0.21 0.00 0.52 0.00 0.00 34.95 33.23 2pmw s ARG 73 CO 0.44 -0.25 0.60 1.28 0.02 0.00 0.00 175.30 177.39 2pmw n LEU 74 N 0.07 2.77 -4.73 2.53 4.77 -0.58 -4.85 117.00 116.98 2pmw n LEU 74 Ca 0.04 -5.19 -0.34 0.00 -0.03 0.00 0.00 56.01 50.49 2pmw n LEU 74 Cb 0.47 -0.46 0.09 0.00 -2.33 0.00 0.00 43.42 41.19 2pmw n LEU 74 CO 0.49 1.93 0.78 -2.16 -1.33 0.00 0.00 177.39 177.11 2pmw s PRO 75 N -1.77 2.16 0.00 3.23 0.04 -1.26 -3.54 135.00 133.86 2pmw s PRO 75 Ca 0.33 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2pmw s PRO 75 Cb 0.07 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2pmw s PRO 75 CO -0.10 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.55 2pmw n GLY 76 N 0.26 1.34 3.00 0.56 0.00 -1.26 -5.05 105.19 104.04 2pmw n GLY 76 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2pmw n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pmw s THR 77 N -2.38 0.78 0.00 2.61 2.01 -1.23 -1.68 115.64 115.75 2pmw s THR 77 Ca 0.00 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.66 2pmw s THR 77 Cb 0.00 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 2pmw s THR 77 CO 0.00 0.24 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.78 2pmw s TYR 78 N 0.17 0.69 -0.31 4.92 1.51 -0.63 -1.40 117.35 122.31 2pmw s TYR 78 Ca -0.03 -0.19 -0.13 0.00 -1.01 0.00 0.00 57.07 55.71 2pmw s TYR 78 Cb -0.08 -0.44 -0.03 0.00 -0.11 0.00 0.00 41.96 41.30 2pmw s TYR 78 CO 0.00 -0.02 0.27 0.08 -1.11 0.00 0.00 175.55 174.78 2pmw s VAL 79 N -0.39 5.25 -0.35 0.71 1.01 0.10 -1.39 120.40 125.35 2pmw s VAL 79 Ca 0.01 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 2pmw s VAL 79 Cb -0.04 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2pmw s VAL 79 CO -0.00 0.09 0.25 -0.69 0.00 0.00 0.00 175.10 174.75 2pmw s VAL 80 N 1.85 5.27 -0.23 2.92 1.01 0.14 -0.80 120.40 130.57 2pmw s VAL 80 Ca 0.09 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 2pmw s VAL 80 Cb -0.16 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2pmw s VAL 80 CO 0.11 -0.04 0.08 -0.69 0.00 0.00 0.00 175.10 174.56 2pmw s VAL 81 N 1.72 4.62 0.40 2.92 1.01 0.28 -1.36 120.40 129.98 2pmw s VAL 81 Ca 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2pmw s VAL 81 Cb -0.18 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 2pmw s VAL 81 CO 0.10 0.38 0.59 -0.76 0.00 0.00 0.00 175.10 175.41 2pmw s LEU 82 N 1.14 3.78 0.55 3.92 1.43 -0.23 -0.16 118.68 129.11 2pmw s LEU 82 Ca 0.05 0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 53.01 2pmw s LEU 82 Cb -0.14 -2.98 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 2pmw s LEU 82 CO 0.04 -0.59 1.37 -0.54 0.23 0.00 0.00 176.35 176.85 2pmw s LYS 83 N -4.40 3.13 0.26 1.70 1.02 0.13 -4.56 119.74 117.04 2pmw s LYS 83 Ca 0.47 2.27 -0.11 0.00 0.02 0.00 0.00 55.97 58.62 2pmw s LYS 83 Cb -0.10 -2.27 0.39 0.00 -0.52 0.00 0.00 37.83 35.33 2pmw s LYS 83 CO 0.35 -1.21 1.53 0.39 -0.92 0.00 0.00 175.35 175.49 2pmw n GLU 84 N -1.02 -0.13 0.29 1.68 1.02 -1.26 -0.54 120.64 120.68 2pmw n GLU 84 Ca 0.10 1.52 0.17 0.00 -0.02 0.00 0.00 57.16 58.94 2pmw n GLU 84 Cb 0.45 -2.27 0.86 0.00 -0.02 0.00 0.00 31.44 30.45 2pmw n GLU 84 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2pmw h GLU 85 N 0.00 0.00 -6.48 3.49 9.09 -1.99 -3.46 114.58 115.23 2pmw h GLU 85 Ca 0.43 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 59.25 2pmw h GLU 85 Cb 0.68 0.00 0.06 0.00 -1.65 0.00 0.00 28.75 27.84 2pmw h GLU 85 CO -1.00 0.05 0.71 2.41 0.05 0.00 0.00 179.01 181.23 2pmw n THR 86 N -3.28 0.14 -3.17 -1.06 -1.04 0.30 -4.94 114.28 101.23 2pmw n THR 86 Ca -0.01 -0.04 -0.31 0.00 -2.04 0.00 0.00 64.05 61.65 2pmw n THR 86 Cb 0.22 -1.41 -0.04 0.00 -1.82 0.00 0.00 70.33 67.27 2pmw n THR 86 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2pmw s HIS 87 N 0.70 3.44 0.32 -1.42 2.46 -1.26 -4.82 115.29 114.71 2pmw s HIS 87 Ca 0.78 0.96 0.10 0.00 0.47 0.00 0.00 55.06 57.36 2pmw s HIS 87 Cb -0.72 -2.35 0.90 0.00 -0.13 0.00 0.00 32.58 30.29 2pmw s HIS 87 CO 0.41 0.10 1.73 1.25 -2.47 0.00 0.00 174.74 175.75 2pmw h LEU 88 N 1.93 0.67 -0.83 8.88 5.85 -1.92 0.30 115.31 130.19 2pmw h LEU 88 Ca -0.47 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 2pmw h LEU 88 Cb 1.18 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 2pmw h LEU 88 CO 0.66 0.09 0.23 0.28 -0.34 0.00 0.00 178.44 179.36 2pmw h SER 89 N 0.57 1.02 -0.31 1.25 0.02 -2.00 -1.58 113.55 112.53 2pmw h SER 89 Ca 0.65 -0.18 -0.18 0.00 -0.84 0.00 0.00 61.79 61.23 2pmw h SER 89 Cb 1.25 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 2pmw h SER 89 CO -0.48 0.95 -0.51 1.56 -1.14 0.00 0.00 176.83 177.20 2pmw h GLN 90 N 1.05 0.89 -0.70 3.45 4.20 -1.40 -2.55 115.11 120.06 2pmw h GLN 90 Ca 0.23 -0.55 0.10 0.00 0.06 0.00 0.00 58.65 58.49 2pmw h GLN 90 Cb 0.29 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.05 2pmw h GLN 90 CO -0.01 1.19 0.33 0.77 -0.67 0.00 0.00 178.83 180.44 2pmw h SER 91 N 0.68 0.42 -0.05 1.46 0.02 -0.76 -0.62 113.55 114.70 2pmw h SER 91 Ca 0.02 0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 2pmw h SER 91 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2pmw h SER 91 CO 0.12 0.23 -0.40 -0.33 -1.14 0.00 0.00 176.83 175.31 2pmw h GLU 92 N 0.56 0.57 -0.07 3.45 5.08 -1.10 -2.05 114.58 121.03 2pmw h GLU 92 Ca 0.35 -0.29 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 2pmw h GLU 92 Cb 0.39 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2pmw h GLU 92 CO -0.28 0.88 -0.72 0.00 -1.00 0.00 0.00 179.01 177.88 2pmw h ARG 93 N 0.47 0.35 -0.82 2.33 3.08 -1.04 -1.95 114.38 116.80 2pmw h ARG 93 Ca 0.04 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 2pmw h ARG 93 Cb 0.91 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 2pmw h ARG 93 CO 0.08 0.93 0.43 1.15 -1.07 0.00 0.00 179.97 181.49 2pmw h THR 94 N 0.24 1.25 -0.46 2.04 2.02 -0.91 0.13 112.91 117.22 2pmw h THR 94 Ca -0.03 -0.65 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 2pmw h THR 94 Cb 1.29 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2pmw h THR 94 CO 0.12 0.29 -0.11 0.00 0.37 0.00 0.00 175.52 176.19 2pmw h ALA 95 N 1.23 0.63 -0.58 6.16 0.00 -1.21 -1.35 119.26 124.13 2pmw h ALA 95 Ca 0.29 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2pmw h ALA 95 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2pmw h ALA 95 CO -0.04 0.52 0.10 0.00 0.00 0.00 0.00 179.25 179.83 2pmw h ARG 96 N 0.72 0.93 -0.31 0.00 3.08 -1.15 -2.01 114.38 115.64 2pmw h ARG 96 Ca 0.12 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2pmw h ARG 96 Cb 0.65 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2pmw h ARG 96 CO 0.04 0.86 -0.13 -0.09 -1.07 0.00 0.00 179.97 179.58 2pmw h ARG 97 N 0.88 0.53 -0.14 0.04 2.43 -0.46 -1.72 114.38 115.94 2pmw h ARG 97 Ca 0.18 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2pmw h ARG 97 Cb 0.38 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2pmw h ARG 97 CO 0.01 0.65 -0.04 1.25 -1.51 0.00 0.00 179.97 180.34 2pmw h LEU 98 N 0.49 0.27 -0.85 3.80 5.85 -0.88 -0.67 115.31 123.31 2pmw h LEU 98 Ca 0.09 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.48 2pmw h LEU 98 Cb 0.52 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2pmw h LEU 98 CO 0.03 0.58 0.54 1.56 -0.34 0.00 0.00 178.44 180.81 2pmw h GLN 99 N -0.05 0.99 0.15 1.25 4.20 -1.23 0.46 115.11 120.88 2pmw h GLN 99 Ca 0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2pmw h GLN 99 Cb 0.46 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2pmw h GLN 99 CO 0.01 0.66 -0.07 0.00 -0.67 0.00 0.00 178.83 178.76 2pmw h ALA 100 N 1.37 -0.20 -0.90 3.87 0.00 -1.23 0.17 119.26 122.34 2pmw h ALA 100 Ca 0.35 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2pmw h ALA 100 Cb 0.07 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2pmw h ALA 100 CO -0.14 -0.42 0.59 1.96 0.00 0.00 0.00 179.25 181.24 2pmw h GLN 101 N -0.58 1.08 -0.72 0.00 4.20 -0.92 -0.76 115.11 117.41 2pmw h GLN 101 Ca -0.02 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 2pmw h GLN 101 Cb 0.44 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2pmw h GLN 101 CO 0.03 0.71 0.22 0.00 -0.67 0.00 0.00 178.83 179.12 2pmw h ALA 102 N 1.48 1.02 -0.42 3.87 0.00 0.09 -3.05 119.26 122.26 2pmw h ALA 102 Ca 0.36 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2pmw h ALA 102 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2pmw h ALA 102 CO -0.11 0.65 -0.27 0.00 0.00 0.00 0.00 179.25 179.53 2pmw h ALA 103 N 1.16 0.73 0.00 0.00 0.00 0.40 -0.42 119.26 121.13 2pmw h ALA 103 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pmw h ALA 103 Cb 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pmw h ALA 103 CO -0.01 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.91 2pmw h ARG 104 N 0.76 0.00 -0.21 0.00 3.08 -1.07 -1.58 114.38 115.36 2pmw h ARG 104 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2pmw h ARG 104 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2pmw h ARG 104 CO 0.07 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.51 2pmw n ARG 105 N -2.58 1.80 -0.06 0.04 1.74 -0.86 -4.96 116.66 111.78 2pmw n ARG 105 Ca -0.01 -1.72 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 2pmw n ARG 105 Cb 0.11 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 2pmw n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pmw n GLY 106 N 0.78 0.69 3.64 -0.13 0.00 -0.59 -5.06 105.19 104.51 2pmw n GLY 106 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2pmw n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pmw s TYR 107 N -2.07 3.28 0.37 1.61 2.02 -0.22 -4.99 117.35 117.35 2pmw s TYR 107 Ca 0.00 0.12 -0.26 0.00 -0.37 0.00 0.00 57.07 56.56 2pmw s TYR 107 Cb 0.00 -2.20 -0.09 0.00 -0.40 0.00 0.00 41.96 39.27 2pmw s TYR 107 CO 0.00 0.07 1.15 -0.51 -1.57 0.00 0.00 175.55 174.69 2pmw s LEU 108 N 0.85 4.27 0.06 -1.29 1.43 -1.26 -3.54 118.68 119.20 2pmw s LEU 108 Ca 0.06 2.31 -0.00 0.00 -1.03 0.00 0.00 54.13 55.47 2pmw s LEU 108 Cb -0.13 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.11 2pmw s LEU 108 CO 0.03 -0.54 -0.04 0.42 0.23 0.00 0.00 176.35 176.44 2pmw s THR 109 N -1.38 0.36 -0.05 5.49 -4.23 -1.26 -4.64 115.64 109.94 2pmw s THR 109 Ca 0.54 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 2pmw s THR 109 Cb -0.30 -1.47 0.03 0.00 1.34 0.00 0.00 72.50 72.10 2pmw s THR 109 CO 0.38 -0.91 0.03 -0.75 -0.54 0.00 0.00 174.62 172.83 2pmw s LYS 110 N -3.68 0.22 -0.52 3.99 2.20 -0.52 -4.99 119.74 116.44 2pmw s LYS 110 Ca 0.07 0.22 -0.24 0.00 -0.36 0.00 0.00 55.97 55.65 2pmw s LYS 110 Cb 0.06 -0.63 0.04 0.00 -1.51 0.00 0.00 37.83 35.78 2pmw s LYS 110 CO -0.08 -0.27 0.93 0.42 -0.36 0.00 0.00 175.35 175.99 2pmw s ILE 111 N 1.81 4.42 -0.35 5.43 -1.09 -1.26 0.29 121.20 130.44 2pmw s ILE 111 Ca 0.01 0.42 0.23 0.00 -2.23 0.00 0.00 60.65 59.08 2pmw s ILE 111 Cb -0.12 -4.50 0.13 0.00 -1.58 0.00 0.00 42.46 36.39 2pmw s ILE 111 CO -0.03 -1.01 1.29 -0.07 -1.23 0.00 0.00 174.94 173.88 2pmw h LEU 112 N 10.82 0.00 -7.00 2.97 3.38 -0.74 -3.47 115.31 121.27 2pmw h LEU 112 Ca -0.25 -0.02 0.18 0.00 0.09 0.00 0.00 57.88 57.88 2pmw h LEU 112 Cb 1.07 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.50 2pmw h LEU 112 CO 1.06 0.01 0.80 -2.28 0.09 0.00 0.00 178.44 178.12 2pmw s HIS 113 N -3.29 -0.12 -0.17 1.13 5.04 -1.19 -4.96 115.29 111.73 2pmw s HIS 113 Ca 0.03 0.27 -0.04 0.00 -1.54 0.00 0.00 55.06 53.78 2pmw s HIS 113 Cb 0.08 0.40 -0.03 0.00 0.04 0.00 0.00 32.58 33.07 2pmw s HIS 113 CO 0.74 -0.06 -0.02 0.08 -2.34 0.00 0.00 174.74 173.14 2pmw s VAL 114 N 0.24 3.97 -0.07 0.89 1.01 -1.26 -0.16 120.40 125.02 2pmw s VAL 114 Ca 0.04 -0.32 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 2pmw s VAL 114 Cb -0.05 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2pmw s VAL 114 CO -0.14 0.47 0.84 -0.36 0.00 0.00 0.00 175.10 175.92 2pmw s PHE 115 N 0.55 3.57 -0.04 5.22 0.40 0.52 -4.98 117.98 123.22 2pmw s PHE 115 Ca -0.02 1.43 -0.01 0.00 -0.60 0.00 0.00 56.93 57.72 2pmw s PHE 115 Cb -0.14 -2.98 0.03 0.00 0.51 0.00 0.00 43.02 40.44 2pmw s PHE 115 CO 0.02 -0.03 0.08 -3.38 0.70 0.00 0.00 175.22 172.61 2pmw s HIS 116 N 1.22 -0.05 0.00 0.36 -3.43 -1.26 -3.74 115.29 108.39 2pmw s HIS 116 Ca 0.43 0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.98 2pmw s HIS 116 Cb -0.19 -0.20 0.00 0.00 -1.43 0.00 0.00 32.58 30.77 2pmw s HIS 116 CO 0.20 -0.13 0.00 0.41 -2.00 0.00 0.00 174.74 173.22 2pmw n GLY 117 N 4.31 4.18 0.08 -1.38 0.00 -1.26 -4.88 105.19 106.25 2pmw n GLY 117 Ca -0.25 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 2pmw n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pmw n LEU 118 N 0.00 2.77 -3.60 0.99 4.77 -1.26 -5.06 117.00 115.61 2pmw n LEU 118 Ca 0.00 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2pmw n LEU 118 Cb 0.00 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 2pmw n LEU 118 CO 0.00 0.50 -0.09 -0.22 -1.33 0.00 0.00 177.39 176.24 2pmw s LEU 119 N -5.20 -0.41 0.31 2.23 0.20 -1.26 -5.14 118.68 109.41 2pmw s LEU 119 Ca -0.03 0.55 -0.28 0.00 0.69 0.00 0.00 54.13 55.06 2pmw s LEU 119 Cb 0.01 0.88 -0.09 0.00 -0.43 0.00 0.00 46.19 46.55 2pmw s LEU 119 CO 0.05 -0.26 1.09 -2.16 -0.29 0.00 0.00 176.35 174.78 2pmw s PRO 120 N 2.47 4.51 0.00 0.98 0.04 -1.26 -4.31 135.00 137.43 2pmw s PRO 120 Ca 0.03 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2pmw s PRO 120 Cb -0.13 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2pmw s PRO 120 CO -0.11 0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.46 2pmw n GLY 121 N 0.98 0.56 3.67 0.56 0.00 -1.25 -1.06 105.19 108.65 2pmw n GLY 121 Ca 0.00 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 2pmw n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pmw s PHE 122 N -2.82 -0.21 -0.23 1.61 -0.12 -0.46 -0.36 117.98 115.39 2pmw s PHE 122 Ca 0.00 -0.16 -0.05 0.00 -0.05 0.00 0.00 56.93 56.66 2pmw s PHE 122 Cb 0.00 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.94 2pmw s PHE 122 CO 0.00 -1.07 0.01 -1.17 -0.05 0.00 0.00 175.22 172.95 2pmw s LEU 123 N -2.88 3.20 -0.07 -1.99 2.96 0.78 -0.68 118.68 119.99 2pmw s LEU 123 Ca 0.09 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 2pmw s LEU 123 Cb -0.03 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.83 2pmw s LEU 123 CO 0.01 -0.00 -0.19 0.54 -1.32 0.00 0.00 176.35 175.39 2pmw s VAL 124 N 1.40 1.62 -0.39 1.68 0.11 -0.49 0.07 120.40 124.40 2pmw s VAL 124 Ca 0.05 -0.78 -0.22 0.00 -2.93 0.00 0.00 61.98 58.11 2pmw s VAL 124 Cb -0.15 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.30 2pmw s VAL 124 CO 0.01 0.46 0.70 -0.75 -3.33 0.00 0.00 175.10 172.19 2pmw s LYS 125 N 0.36 3.55 0.25 1.54 2.20 0.14 -1.60 119.74 126.19 2pmw s LYS 125 Ca -0.13 -0.01 -0.20 0.00 -0.36 0.00 0.00 55.97 55.27 2pmw s LYS 125 Cb -0.16 -3.87 0.02 0.00 -1.51 0.00 0.00 37.83 32.32 2pmw s LYS 125 CO 0.05 -0.90 0.65 0.00 -0.36 0.00 0.00 175.35 174.79 2pmw s MET 126 N 2.94 1.64 0.40 4.03 0.23 -0.68 -1.44 119.30 126.43 2pmw s MET 126 Ca 0.27 -0.94 -0.26 0.00 -1.03 0.00 0.00 55.69 53.73 2pmw s MET 126 Cb -0.14 0.58 -0.08 0.00 -1.53 0.00 0.00 34.83 33.66 2pmw s MET 126 CO 0.18 -0.73 1.23 0.45 -2.03 0.00 0.00 175.02 174.11 2pmw s SER 127 N -2.91 6.42 0.35 -1.18 0.15 -1.26 -4.33 113.70 110.95 2pmw s SER 127 Ca 0.11 2.48 0.26 0.00 0.70 0.00 0.00 55.95 59.50 2pmw s SER 127 Cb -0.04 -2.62 1.24 0.00 -1.71 0.00 0.00 66.02 62.88 2pmw s SER 127 CO 0.03 -0.76 1.78 1.23 1.20 0.00 0.00 173.24 176.73 2pmw h GLY 128 N 2.66 0.00 0.97 9.45 0.00 -1.99 -2.67 103.07 111.49 2pmw h GLY 128 Ca -0.49 0.00 0.10 0.00 0.00 0.00 0.00 47.33 46.94 2pmw h GLY 128 CO 0.62 0.00 0.42 -0.55 0.00 0.00 0.00 176.54 177.04 2pmw h ASP 129 N 0.00 0.00 -0.17 0.19 3.32 -2.04 -2.05 116.42 115.66 2pmw h ASP 129 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pmw h ASP 129 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2pmw h ASP 129 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 2pmw n LEU 130 N -3.58 1.88 -0.11 1.55 4.77 -1.01 -4.38 117.00 116.12 2pmw n LEU 130 Ca 0.06 -0.77 -0.13 0.00 -0.03 0.00 0.00 56.01 55.13 2pmw n LEU 130 Cb 0.58 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2pmw n LEU 130 CO 0.25 0.39 0.57 -0.07 -1.33 0.00 0.00 177.39 177.20 2pmw h LEU 131 N 2.54 0.91 -0.12 2.23 3.38 -1.60 0.11 115.31 122.76 2pmw h LEU 131 Ca 0.00 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.54 2pmw h LEU 131 Cb 0.56 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2pmw h LEU 131 CO 0.00 1.18 -0.10 -0.33 0.09 0.00 0.00 178.44 179.29 2pmw h GLU 132 N 0.66 -0.11 -0.25 1.13 5.08 -1.83 0.10 114.58 119.37 2pmw h GLU 132 Ca 0.06 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2pmw h GLU 132 Cb 0.92 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 2pmw h GLU 132 CO 0.08 -0.07 0.01 1.25 -1.00 0.00 0.00 179.01 179.29 2pmw h LEU 133 N -0.11 -0.07 -1.62 1.33 5.85 -1.80 -2.52 115.31 116.37 2pmw h LEU 133 Ca 0.08 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2pmw h LEU 133 Cb 0.22 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2pmw h LEU 133 CO -0.19 -0.00 0.05 0.00 -0.34 0.00 0.00 178.44 177.96 2pmw h ALA 134 N 1.20 1.70 0.00 1.25 0.00 -0.61 -1.50 119.26 121.30 2pmw h ALA 134 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pmw h ALA 134 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pmw h ALA 134 CO -0.18 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.58 2pmw n LEU 135 N -4.41 0.73 -0.53 0.00 4.77 -0.01 -2.20 117.00 115.34 2pmw n LEU 135 Ca 0.00 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 2pmw n LEU 135 Cb 0.15 -0.54 0.08 0.00 -2.33 0.00 0.00 43.42 40.79 2pmw n LEU 135 CO 0.36 -0.51 0.42 0.29 -1.33 0.00 0.00 177.39 176.62 2pmw n LYS 136 N -2.28 1.34 -1.67 3.23 5.02 -0.57 -4.49 118.16 118.74 2pmw n LYS 136 Ca 0.03 -1.07 -0.37 0.00 -2.02 0.00 0.00 58.31 54.88 2pmw n LYS 136 Cb 0.27 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.86 2pmw n LYS 136 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pmw n LEU 137 N 0.10 5.10 -4.77 -0.35 4.77 -0.93 -4.94 117.00 115.97 2pmw n LEU 137 Ca 0.11 0.81 -0.40 0.00 -0.03 0.00 0.00 56.01 56.49 2pmw n LEU 137 Cb 0.47 -1.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.07 2pmw n LEU 137 CO 0.26 -1.37 1.04 -2.16 -1.33 0.00 0.00 177.39 173.83 2pmw s PRO 138 N -3.15 4.03 0.00 3.23 0.04 -1.26 -3.37 135.00 134.52 2pmw s PRO 138 Ca 0.80 2.35 0.00 0.00 0.04 0.00 0.00 61.00 64.19 2pmw s PRO 138 Cb -0.39 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2pmw s PRO 138 CO 0.43 -0.51 0.00 0.72 0.04 0.00 0.00 177.00 177.68 2pmw n HIS 139 N 0.30 0.00 -2.29 0.56 8.25 -1.26 -4.95 115.22 115.82 2pmw n HIS 139 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2pmw n HIS 139 Cb 0.41 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 2pmw n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2pmw s VAL 140 N -3.61 3.62 -0.22 1.59 1.01 -1.22 0.23 120.40 121.80 2pmw s VAL 140 Ca 0.00 1.19 -0.16 0.00 0.00 0.00 0.00 61.98 63.01 2pmw s VAL 140 Cb 0.00 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 2pmw s VAL 140 CO 0.00 0.11 -0.21 -0.67 0.00 0.00 0.00 175.10 174.32 2pmw n ASP 141 N 3.73 1.91 -3.69 3.32 -0.08 0.78 -4.58 116.55 117.94 2pmw n ASP 141 Ca 0.09 0.40 -0.07 0.00 -1.51 0.00 0.00 54.79 53.71 2pmw n ASP 141 Cb 0.44 -0.84 -0.02 0.00 2.34 0.00 0.00 41.12 43.05 2pmw n ASP 141 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 2pmw s TYR 142 N -2.55 -0.26 -0.05 -0.67 -0.85 -0.86 -3.36 117.35 108.76 2pmw s TYR 142 Ca -0.30 -0.05 0.03 0.00 -0.52 0.00 0.00 57.07 56.23 2pmw s TYR 142 Cb 0.08 0.63 0.00 0.00 0.38 0.00 0.00 41.96 43.05 2pmw s TYR 142 CO 0.45 -0.91 -0.15 0.42 -1.52 0.00 0.00 175.55 173.84 2pmw s ILE 143 N -3.54 1.29 -0.08 -3.49 1.01 -0.55 -0.56 121.20 115.28 2pmw s ILE 143 Ca 0.09 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2pmw s ILE 143 Cb -0.03 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.32 2pmw s ILE 143 CO -0.01 0.38 -0.16 -0.70 0.00 0.00 0.00 174.94 174.45 2pmw s GLU 144 N 0.30 2.19 0.22 2.79 2.12 0.02 -1.19 118.70 125.16 2pmw s GLU 144 Ca -0.09 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 2pmw s GLU 144 Cb -0.13 -1.75 -0.09 0.00 0.26 0.00 0.00 34.13 32.42 2pmw s GLU 144 CO 0.03 0.06 1.24 -2.00 -0.54 0.00 0.00 175.26 174.05 2pmw s GLU 145 N 0.60 4.46 0.86 4.30 2.12 -0.07 0.02 118.70 130.99 2pmw s GLU 145 Ca -0.15 1.98 -0.11 0.00 0.36 0.00 0.00 54.97 57.04 2pmw s GLU 145 Cb -0.16 -3.19 0.11 0.00 0.26 0.00 0.00 34.13 31.14 2pmw s GLU 145 CO 0.05 -0.12 1.15 0.34 -0.54 0.00 0.00 175.26 176.14 2pmw s ASP 146 N -0.02 3.40 0.26 -1.70 -1.08 -0.49 -4.56 116.67 112.48 2pmw s ASP 146 Ca 0.52 2.17 -0.17 0.00 -0.52 0.00 0.00 52.55 54.56 2pmw s ASP 146 Cb -0.35 -2.56 0.01 0.00 -1.46 0.00 0.00 42.92 38.55 2pmw s ASP 146 CO 0.40 -2.79 0.59 -0.94 0.52 0.00 0.00 175.17 172.96 2pmw s SER 147 N -2.66 -0.17 0.34 -0.34 1.04 -1.26 -1.53 113.70 109.11 2pmw s SER 147 Ca 0.67 -0.77 -0.15 0.00 0.48 0.00 0.00 55.95 56.18 2pmw s SER 147 Cb -0.23 0.65 -0.09 0.00 0.10 0.00 0.00 66.02 66.45 2pmw s SER 147 CO 0.55 -1.24 0.76 -0.44 0.98 0.00 0.00 173.24 173.86 2pmw s SER 148 N -2.97 6.78 0.15 7.02 0.01 -0.01 -4.90 113.70 119.78 2pmw s SER 148 Ca 0.17 1.32 0.07 0.00 1.31 0.00 0.00 55.95 58.82 2pmw s SER 148 Cb -0.03 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2pmw s SER 148 CO 0.08 -0.23 -0.16 0.68 0.41 0.00 0.00 173.24 174.02 2pmw s VAL 149 N -2.02 1.58 0.00 3.43 -7.23 -1.26 -5.01 120.40 109.89 2pmw s VAL 149 Ca 0.55 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 2pmw s VAL 149 Cb -0.10 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 2pmw s VAL 149 CO 0.17 -0.38 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.16 2pmw s PHE 150 N -2.16 0.60 0.30 2.82 0.40 -1.26 -5.12 117.98 113.56 2pmw s PHE 150 Ca 0.13 -0.16 -0.29 0.00 -0.60 0.00 0.00 56.93 56.01 2pmw s PHE 150 Cb -0.05 -0.38 -0.13 0.00 0.51 0.00 0.00 43.02 42.97 2pmw s PHE 150 CO 0.05 -0.02 1.23 0.00 0.70 0.00 0.00 175.22 177.18 2pmw n ALA 151 N 2.74 0.74 0.49 5.36 0.00 -1.26 -5.37 120.51 123.20 2pmw n ALA 151 Ca -0.14 0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.74 2pmw n ALA 151 Cb 0.57 -2.18 0.05 0.00 0.00 0.00 0.00 19.45 17.89 2pmw n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54