#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2o s ALA 62 N 0.00 3.69 0.17 2.41 0.00 -1.26 -4.91 121.76 121.86 2w2o s ALA 62 Ca 0.00 1.24 0.09 0.00 0.00 0.00 0.00 51.96 53.29 2w2o s ALA 62 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2w2o s ALA 62 CO 0.00 -0.74 -0.13 0.95 0.00 0.00 0.00 175.76 175.84 2w2o s THR 63 N 1.28 2.99 -0.03 0.00 -4.23 -1.23 -4.97 115.64 109.45 2w2o s THR 63 Ca 0.68 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2w2o s THR 63 Cb -0.40 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 2w2o s THR 63 CO 0.31 -0.08 0.07 0.12 -0.54 0.00 0.00 174.62 174.50 2w2o s PHE 64 N -1.63 3.30 -0.01 3.99 5.36 -1.26 -0.65 117.98 127.08 2w2o s PHE 64 Ca 0.23 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.44 2w2o s PHE 64 Cb -0.09 -1.76 0.01 0.00 -0.34 0.00 0.00 43.02 40.84 2w2o s PHE 64 CO 0.13 0.56 0.00 -1.01 -1.46 0.00 0.00 175.22 173.44 2w2o s HIS 65 N -1.13 0.09 0.04 10.12 3.76 0.38 -4.95 115.29 123.60 2w2o s HIS 65 Ca 0.21 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 2w2o s HIS 65 Cb -0.12 -0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.41 2w2o s HIS 65 CO 0.11 -0.04 -0.04 -0.98 -0.85 0.00 0.00 174.74 172.94 2w2o s ARG 66 N 0.35 0.45 0.14 1.40 1.70 -1.26 -0.64 118.95 121.09 2w2o s ARG 66 Ca -0.03 -0.80 -0.34 0.00 -0.47 0.00 0.00 55.73 54.09 2w2o s ARG 66 Cb -0.05 0.02 -0.16 0.00 -0.57 0.00 0.00 34.95 34.19 2w2o s ARG 66 CO -0.01 -0.04 1.13 0.00 -1.08 0.00 0.00 175.30 175.31 2w2o n ALA 68 N 1.55 2.04 -3.13 0.00 0.00 -1.26 -4.50 120.51 115.21 2w2o n ALA 68 Ca 0.16 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 2w2o n ALA 68 Cb 0.22 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 2w2o n ALA 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2w2o s LYS 69 N -3.14 2.83 0.22 0.00 2.20 -1.26 -5.00 119.74 115.59 2w2o s LYS 69 Ca 0.09 -1.49 -0.12 0.00 -0.36 0.00 0.00 55.97 54.09 2w2o s LYS 69 Cb 0.12 -4.05 0.28 0.00 -1.51 0.00 0.00 37.83 32.68 2w2o s LYS 69 CO 0.49 -1.08 1.63 0.22 -0.36 0.00 0.00 175.35 176.25 2w2o h ASP 70 N 8.65 -0.54 0.42 1.43 3.58 -2.00 -0.88 116.42 127.09 2w2o h ASP 70 Ca -0.26 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2w2o h ASP 70 Cb 1.10 0.38 0.00 0.00 1.72 0.00 0.00 39.33 42.53 2w2o h ASP 70 CO 0.87 -0.20 0.00 -2.65 -2.88 0.00 0.00 179.24 174.38 2w2o n PRO 71 N -5.41 0.09 0.00 0.28 -0.02 -1.26 -2.72 135.00 125.96 2w2o n PRO 71 Ca 0.09 0.20 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 2w2o n PRO 71 Cb 0.36 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.40 2w2o n PRO 71 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2w2o n TRP 72 N -1.41 0.00 -1.96 6.00 8.01 -0.34 -4.97 117.44 122.77 2w2o n TRP 72 Ca 0.05 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.88 2w2o n TRP 72 Cb 0.15 -0.03 0.04 0.00 -2.01 0.00 0.00 31.31 29.46 2w2o n TRP 72 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2w2o s ARG 73 N -2.61 2.99 -0.58 -0.99 0.52 -1.10 -0.17 118.95 117.00 2w2o s ARG 73 Ca 0.17 1.92 0.05 0.00 -0.52 0.00 0.00 55.73 57.35 2w2o s ARG 73 Cb 0.18 -2.00 0.17 0.00 0.52 0.00 0.00 34.95 33.82 2w2o s ARG 73 CO 0.63 -1.21 0.45 1.28 0.02 0.00 0.00 175.30 176.47 2w2o n LEU 74 N -1.47 1.65 -4.77 2.53 4.77 -0.17 -4.80 117.00 114.75 2w2o n LEU 74 Ca 0.13 -4.89 -0.39 0.00 -0.03 0.00 0.00 56.01 50.83 2w2o n LEU 74 Cb 0.49 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2w2o n LEU 74 CO 0.46 1.82 0.97 -2.16 -1.33 0.00 0.00 177.39 177.15 2w2o s PRO 75 N -0.92 3.92 0.00 3.23 0.04 -1.26 -3.27 135.00 136.74 2w2o s PRO 75 Ca 0.29 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2w2o s PRO 75 Cb 0.00 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2w2o s PRO 75 CO -0.17 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2w2o n GLY 76 N 0.65 2.76 3.44 0.56 0.00 -1.26 -5.04 105.19 106.30 2w2o n GLY 76 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2w2o n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w2o s THR 77 N -2.54 3.80 0.09 2.61 2.01 -1.20 -0.88 115.64 119.52 2w2o s THR 77 Ca 0.00 -0.37 0.07 0.00 0.31 0.00 0.00 61.69 61.70 2w2o s THR 77 Cb 0.00 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 2w2o s THR 77 CO 0.00 0.45 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.89 2w2o s TYR 78 N 0.84 1.59 -0.36 4.92 2.02 0.59 -0.35 117.35 126.61 2w2o s TYR 78 Ca -0.00 -0.43 -0.05 0.00 -0.37 0.00 0.00 57.07 56.22 2w2o s TYR 78 Cb -0.14 -0.88 0.06 0.00 -0.40 0.00 0.00 41.96 40.60 2w2o s TYR 78 CO 0.02 0.15 0.13 0.08 -1.57 0.00 0.00 175.55 174.36 2w2o s VAL 79 N -1.17 3.58 -0.33 0.71 1.01 0.72 -1.25 120.40 123.67 2w2o s VAL 79 Ca 0.04 -1.44 -0.28 0.00 0.00 0.00 0.00 61.98 60.30 2w2o s VAL 79 Cb -0.10 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.14 2w2o s VAL 79 CO 0.03 -0.34 1.03 -0.69 0.00 0.00 0.00 175.10 175.13 2w2o s VAL 80 N 1.32 4.54 -0.22 2.92 1.01 -0.21 -1.64 120.40 128.12 2w2o s VAL 80 Ca 0.01 1.58 -0.06 0.00 0.00 0.00 0.00 61.98 63.51 2w2o s VAL 80 Cb -0.21 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 2w2o s VAL 80 CO 0.00 -0.48 0.02 -0.69 0.00 0.00 0.00 175.10 173.95 2w2o s VAL 81 N 3.58 4.03 0.33 2.92 1.01 -0.75 -0.91 120.40 130.61 2w2o s VAL 81 Ca 0.43 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2w2o s VAL 81 Cb -0.12 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2w2o s VAL 81 CO 0.16 0.40 0.51 -0.76 0.00 0.00 0.00 175.10 175.41 2w2o s LEU 82 N 1.20 4.06 0.67 3.92 1.43 -0.10 -0.59 118.68 129.27 2w2o s LEU 82 Ca 0.03 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.27 2w2o s LEU 82 Cb -0.14 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.92 2w2o s LEU 82 CO 0.02 -0.28 1.29 -0.54 0.23 0.00 0.00 176.35 177.06 2w2o s LYS 83 N -4.25 2.41 0.06 1.70 1.02 0.11 -4.60 119.74 116.19 2w2o s LYS 83 Ca 0.39 2.04 -0.11 0.00 0.02 0.00 0.00 55.97 58.31 2w2o s LYS 83 Cb -0.09 -1.83 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 2w2o s LYS 83 CO 0.34 -1.70 0.97 -1.91 -0.92 0.00 0.00 175.35 172.13 2w2o n GLU 84 N -2.11 -0.16 -1.98 1.68 2.13 -1.26 -2.55 120.64 116.40 2w2o n GLU 84 Ca 0.16 0.96 -0.37 0.00 0.66 0.00 0.00 57.16 58.57 2w2o n GLU 84 Cb 0.48 -1.42 -0.00 0.00 0.27 0.00 0.00 31.44 30.77 2w2o n GLU 84 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2w2o n GLU 85 N -3.79 3.68 -3.48 5.31 1.02 -1.26 -4.69 120.64 117.43 2w2o n GLU 85 Ca 0.01 -3.44 -0.37 0.00 -0.02 0.00 0.00 57.16 53.34 2w2o n GLU 85 Cb 0.09 -2.36 -0.07 0.00 -0.02 0.00 0.00 31.44 29.08 2w2o n GLU 85 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2w2o s THR 86 N -3.25 5.27 0.55 2.62 2.01 -1.06 -5.08 115.64 116.71 2w2o s THR 86 Ca 0.51 0.62 -0.18 0.00 0.31 0.00 0.00 61.69 62.96 2w2o s THR 86 Cb 0.31 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.09 2w2o s THR 86 CO -0.23 0.35 1.06 -2.28 -0.69 0.00 0.00 174.62 172.83 2w2o s HIS 87 N 0.67 2.97 0.37 4.92 2.46 -1.26 -4.79 115.29 120.62 2w2o s HIS 87 Ca 0.18 1.54 0.08 0.00 0.47 0.00 0.00 55.06 57.33 2w2o s HIS 87 Cb -0.14 -3.05 0.80 0.00 -0.13 0.00 0.00 32.58 30.07 2w2o s HIS 87 CO 0.05 -1.05 1.93 1.25 -2.47 0.00 0.00 174.74 174.45 2w2o h LEU 88 N 0.90 0.63 -0.66 8.88 5.85 -1.98 -1.57 115.31 127.36 2w2o h LEU 88 Ca -0.48 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.15 2w2o h LEU 88 Cb 1.22 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2w2o h LEU 88 CO 0.58 0.37 -0.11 0.77 -0.34 0.00 0.00 178.44 179.71 2w2o h SER 89 N 0.69 0.93 -0.13 1.25 4.64 -1.99 -1.55 113.55 117.39 2w2o h SER 89 Ca 0.36 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 2w2o h SER 89 Cb 0.47 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2w2o h SER 89 CO -0.14 1.05 -0.02 1.56 -0.87 0.00 0.00 176.83 178.42 2w2o h GLN 90 N 0.83 0.37 -0.04 4.77 4.20 -1.74 -1.24 115.11 122.26 2w2o h GLN 90 Ca 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2w2o h GLN 90 Cb 0.65 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 2w2o h GLN 90 CO 0.05 0.41 -0.01 1.03 -0.67 0.00 0.00 178.83 179.63 2w2o h SER 91 N 0.36 0.07 -0.80 1.46 0.87 -0.81 -2.07 113.55 112.63 2w2o h SER 91 Ca 0.08 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 2w2o h SER 91 Cb 0.27 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 2w2o h SER 91 CO 0.01 0.45 0.44 -0.33 -0.53 0.00 0.00 176.83 176.87 2w2o h GLU 92 N -0.30 1.12 -0.53 2.24 5.08 -1.21 -1.49 114.58 119.49 2w2o h GLU 92 Ca 0.01 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2w2o h GLU 92 Cb 0.42 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2w2o h GLU 92 CO 0.00 0.81 0.33 -0.09 -1.00 0.00 0.00 179.01 179.07 2w2o h ARG 93 N 1.12 0.71 -0.57 2.33 2.43 -1.19 0.19 114.38 119.40 2w2o h ARG 93 Ca 0.28 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2w2o h ARG 93 Cb 0.02 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 2w2o h ARG 93 CO -0.05 0.50 0.28 1.15 -1.51 0.00 0.00 179.97 180.35 2w2o h THR 94 N 0.71 1.20 0.64 0.20 2.02 -1.09 0.16 112.91 116.75 2w2o h THR 94 Ca 0.19 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 2w2o h THR 94 Cb -0.03 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2w2o h THR 94 CO -0.04 0.23 -0.35 0.00 0.37 0.00 0.00 175.52 175.73 2w2o h ALA 95 N 1.12 -0.92 -0.89 6.16 0.00 -0.91 -1.48 119.26 122.33 2w2o h ALA 95 Ca 0.20 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.12 2w2o h ALA 95 Cb 0.10 0.40 -0.12 0.00 0.00 0.00 0.00 17.79 18.18 2w2o h ALA 95 CO -0.03 -1.02 0.42 0.00 0.00 0.00 0.00 179.25 178.62 2w2o h ARG 96 N -0.91 0.46 0.19 0.00 3.08 -0.47 -1.38 114.38 115.35 2w2o h ARG 96 Ca -0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2w2o h ARG 96 Cb 0.72 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 2w2o h ARG 96 CO 0.11 0.31 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.13 2w2o h ARG 97 N 0.48 -0.26 -0.48 0.04 9.65 -0.43 -1.31 114.38 122.06 2w2o h ARG 97 Ca 0.54 0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.53 2w2o h ARG 97 Cb 0.95 0.06 -0.08 0.00 -1.39 0.00 0.00 29.97 29.51 2w2o h ARG 97 CO -0.48 -0.18 0.01 1.25 2.80 0.00 0.00 179.97 183.38 2w2o h LEU 98 N -0.27 -0.19 -0.72 3.80 5.85 -0.46 0.12 115.31 123.44 2w2o h LEU 98 Ca -0.02 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2w2o h LEU 98 Cb 0.22 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2w2o h LEU 98 CO 0.03 -0.06 0.45 1.56 -0.34 0.00 0.00 178.44 180.08 2w2o h GLN 99 N 0.12 0.97 0.12 1.25 4.20 -1.17 -1.10 115.11 119.51 2w2o h GLN 99 Ca 0.24 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2w2o h GLN 99 Cb 0.36 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2w2o h GLN 99 CO -0.40 0.68 -0.06 0.00 -0.67 0.00 0.00 178.83 178.39 2w2o h ALA 100 N 1.24 -0.16 -0.62 3.87 0.00 -0.74 -1.98 119.26 120.87 2w2o h ALA 100 Ca 0.26 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2w2o h ALA 100 Cb -0.05 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2w2o h ALA 100 CO -0.05 -0.36 0.24 1.96 0.00 0.00 0.00 179.25 181.04 2w2o h GLN 101 N -0.63 0.41 0.15 0.00 4.20 -0.73 -2.68 115.11 115.84 2w2o h GLN 101 Ca -0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2w2o h GLN 101 Cb 0.49 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2w2o h GLN 101 CO 0.03 0.27 -0.07 0.00 -0.67 0.00 0.00 178.83 178.39 2w2o h ALA 102 N 1.42 -0.21 -0.87 3.87 0.00 -1.21 -3.10 119.26 119.16 2w2o h ALA 102 Ca 0.32 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.25 2w2o h ALA 102 Cb 0.39 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 2w2o h ALA 102 CO -0.31 -0.43 0.34 0.00 0.00 0.00 0.00 179.25 178.86 2w2o h ALA 103 N 0.16 1.35 0.00 0.00 0.00 -1.12 0.39 119.26 120.03 2w2o h ALA 103 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2w2o h ALA 103 Cb 0.45 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2w2o h ALA 103 CO 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.92 2w2o h ARG 104 N 0.35 0.00 -0.17 0.00 3.08 -1.44 -0.59 114.38 115.62 2w2o h ARG 104 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.59 2w2o h ARG 104 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2w2o h ARG 104 CO -0.54 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 178.90 2w2o n ARG 105 N -2.53 2.32 -1.24 0.04 1.74 0.13 -4.97 116.66 112.15 2w2o n ARG 105 Ca 0.01 -1.95 0.00 0.00 -0.77 0.00 0.00 57.85 55.14 2w2o n ARG 105 Cb 0.24 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2w2o n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2w2o n GLY 106 N 1.39 0.60 2.94 -0.13 0.00 -0.23 -5.09 105.19 104.67 2w2o n GLY 106 Ca 0.16 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2w2o n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2w2o s TYR 107 N -2.27 -0.18 -0.00 1.61 2.02 -1.03 -5.00 117.35 112.49 2w2o s TYR 107 Ca 0.00 0.50 -0.17 0.00 -0.37 0.00 0.00 57.07 57.03 2w2o s TYR 107 Cb 0.00 -0.06 -0.06 0.00 -0.40 0.00 0.00 41.96 41.44 2w2o s TYR 107 CO 0.00 -0.17 0.48 -1.17 -1.57 0.00 0.00 175.55 173.12 2w2o s LEU 108 N 1.10 4.45 0.12 -1.29 0.20 -1.26 -2.67 118.68 119.33 2w2o s LEU 108 Ca -0.08 1.03 0.06 0.00 0.69 0.00 0.00 54.13 55.83 2w2o s LEU 108 Cb -0.11 -2.72 -0.04 0.00 -0.43 0.00 0.00 46.19 42.90 2w2o s LEU 108 CO -0.06 0.23 -0.15 0.42 -0.29 0.00 0.00 176.35 176.50 2w2o s THR 109 N -0.69 1.41 -0.15 3.68 -4.23 -1.26 -4.56 115.64 109.84 2w2o s THR 109 Ca 0.26 -1.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.10 2w2o s THR 109 Cb -0.17 -1.51 0.04 0.00 1.34 0.00 0.00 72.50 72.20 2w2o s THR 109 CO 0.15 -0.33 -0.05 -0.54 -0.54 0.00 0.00 174.62 173.31 2w2o s LYS 110 N -2.46 1.34 -0.38 3.99 1.02 -0.84 -5.00 119.74 117.42 2w2o s LYS 110 Ca 0.08 -0.40 -0.27 0.00 0.02 0.00 0.00 55.97 55.39 2w2o s LYS 110 Cb -0.06 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.43 2w2o s LYS 110 CO 0.03 -0.40 1.01 0.42 -0.92 0.00 0.00 175.35 175.50 2w2o s ILE 111 N 1.69 4.49 -0.18 2.17 -1.09 -1.26 -0.98 121.20 126.04 2w2o s ILE 111 Ca 0.02 1.36 0.21 0.00 -2.23 0.00 0.00 60.65 60.00 2w2o s ILE 111 Cb -0.14 -4.41 -0.08 0.00 -1.58 0.00 0.00 42.46 36.24 2w2o s ILE 111 CO -0.08 -0.61 0.90 0.18 -1.23 0.00 0.00 174.94 174.10 2w2o n LEU 112 N 7.01 0.74 -3.64 2.97 4.77 0.85 -4.96 117.00 124.74 2w2o n LEU 112 Ca 0.09 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.31 2w2o n LEU 112 Cb 0.48 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2w2o n LEU 112 CO 0.61 -0.07 0.92 -2.28 -1.33 0.00 0.00 177.39 175.25 2w2o s HIS 113 N -3.25 -0.28 -0.21 -1.77 5.04 -1.22 -4.99 115.29 108.61 2w2o s HIS 113 Ca -0.02 0.67 -0.02 0.00 -1.54 0.00 0.00 55.06 54.14 2w2o s HIS 113 Cb 0.10 0.42 0.00 0.00 0.04 0.00 0.00 32.58 33.14 2w2o s HIS 113 CO 0.81 -0.15 -0.09 0.08 -2.34 0.00 0.00 174.74 173.05 2w2o s VAL 114 N -0.03 2.99 0.13 0.89 1.01 -1.26 -0.24 120.40 123.88 2w2o s VAL 114 Ca 0.05 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 2w2o s VAL 114 Cb -0.04 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 2w2o s VAL 114 CO -0.09 0.44 0.95 -0.36 0.00 0.00 0.00 175.10 176.04 2w2o s PHE 115 N 1.42 3.84 -0.28 5.22 0.08 0.60 -4.98 117.98 123.88 2w2o s PHE 115 Ca 0.05 1.81 -0.10 0.00 0.12 0.00 0.00 56.93 58.81 2w2o s PHE 115 Cb -0.14 -3.03 0.12 0.00 -0.57 0.00 0.00 43.02 39.40 2w2o s PHE 115 CO -0.06 0.26 0.61 -3.38 -0.10 0.00 0.00 175.22 172.55 2w2o s HIS 116 N -0.23 -1.20 0.00 0.36 -3.43 -1.26 -3.39 115.29 106.13 2w2o s HIS 116 Ca 0.45 2.15 0.00 0.00 -0.80 0.00 0.00 55.06 56.87 2w2o s HIS 116 Cb -0.24 0.69 0.00 0.00 -1.43 0.00 0.00 32.58 31.60 2w2o s HIS 116 CO 0.30 -0.61 0.00 0.41 -2.00 0.00 0.00 174.74 172.84 2w2o n GLY 117 N 5.27 3.17 0.03 -1.38 0.00 -1.26 -4.92 105.19 106.10 2w2o n GLY 117 Ca -0.13 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 2w2o n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2w2o h LEU 118 N 0.00 0.00 -7.58 0.99 3.38 -2.03 -3.49 115.31 106.59 2w2o h LEU 118 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2w2o h LEU 118 Cb 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.47 2w2o h LEU 118 CO 0.00 0.31 -0.59 -1.48 0.09 0.00 0.00 178.44 176.77 2w2o s LEU 119 N -6.32 1.41 0.21 1.67 0.05 -1.26 -5.14 118.68 109.29 2w2o s LEU 119 Ca -0.04 0.24 -0.30 0.00 0.05 0.00 0.00 54.13 54.08 2w2o s LEU 119 Cb 0.01 0.38 -0.09 0.00 -2.05 0.00 0.00 46.19 44.43 2w2o s LEU 119 CO 0.06 -0.06 1.33 -2.16 -0.55 0.00 0.00 176.35 174.97 2w2o s PRO 120 N 0.28 4.37 0.00 1.48 0.04 -1.26 -4.13 135.00 135.77 2w2o s PRO 120 Ca -0.02 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2w2o s PRO 120 Cb -0.03 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2w2o s PRO 120 CO -0.01 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.16 2w2o n GLY 121 N 2.35 -1.63 3.30 0.56 0.00 -1.22 -0.92 105.19 107.64 2w2o n GLY 121 Ca 0.06 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2w2o n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2w2o s PHE 122 N -2.71 -0.09 -0.28 1.61 -0.71 -0.09 -0.29 117.98 115.42 2w2o s PHE 122 Ca 0.00 -0.26 -0.09 0.00 -1.04 0.00 0.00 56.93 55.54 2w2o s PHE 122 Cb 0.00 0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2w2o s PHE 122 CO 0.00 -0.67 0.13 -1.17 -1.34 0.00 0.00 175.22 172.16 2w2o s LEU 123 N -2.83 3.82 0.03 -1.99 2.96 0.66 -1.05 118.68 120.29 2w2o s LEU 123 Ca 0.04 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 2w2o s LEU 123 Cb 0.03 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 2w2o s LEU 123 CO -0.11 -0.10 -0.21 0.54 -1.32 0.00 0.00 176.35 175.15 2w2o s VAL 124 N 1.64 1.66 -0.22 1.68 0.11 -0.38 -0.11 120.40 124.79 2w2o s VAL 124 Ca 0.06 -1.13 -0.01 0.00 -2.93 0.00 0.00 61.98 57.96 2w2o s VAL 124 Cb -0.16 -1.43 0.01 0.00 -1.53 0.00 0.00 36.38 33.27 2w2o s VAL 124 CO 0.06 0.26 -0.10 -0.75 -3.33 0.00 0.00 175.10 171.25 2w2o s LYS 125 N -1.02 3.05 0.15 1.54 2.20 -0.15 -0.30 119.74 125.20 2w2o s LYS 125 Ca 0.08 -0.82 -0.07 0.00 -0.36 0.00 0.00 55.97 54.79 2w2o s LYS 125 Cb -0.09 -2.86 0.03 0.00 -1.51 0.00 0.00 37.83 33.40 2w2o s LYS 125 CO 0.01 -0.28 0.36 0.00 -0.36 0.00 0.00 175.35 175.08 2w2o n MET 126 N 4.69 0.43 -2.58 4.03 0.00 -0.06 -1.98 117.12 121.65 2w2o n MET 126 Ca -0.18 -0.87 -0.40 0.00 0.00 0.00 0.00 57.70 56.25 2w2o n MET 126 Cb 0.49 1.10 -0.05 0.00 0.00 0.00 0.00 33.22 34.76 2w2o n MET 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2w2o s SER 127 N -1.91 7.40 0.41 3.17 0.15 -1.26 -4.51 113.70 117.16 2w2o s SER 127 Ca 0.07 2.11 0.20 0.00 0.70 0.00 0.00 55.95 59.03 2w2o s SER 127 Cb -0.02 -2.62 1.14 0.00 -1.71 0.00 0.00 66.02 62.81 2w2o s SER 127 CO 0.04 -0.06 1.79 1.23 1.20 0.00 0.00 173.24 177.45 2w2o h GLY 128 N 4.26 1.04 0.21 9.45 0.00 -1.98 -1.72 103.07 114.32 2w2o h GLY 128 Ca -0.46 -0.18 0.20 0.00 0.00 0.00 0.00 47.33 46.89 2w2o h GLY 128 CO 0.69 -0.10 0.70 -0.55 0.00 0.00 0.00 176.54 177.28 2w2o h ASP 129 N 0.36 0.00 -0.36 0.19 5.19 -2.04 -1.90 116.42 117.86 2w2o h ASP 129 Ca 0.56 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.97 2w2o h ASP 129 Cb 1.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.00 2w2o h ASP 129 CO -0.25 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.05 2w2o n LEU 130 N -3.67 2.27 -0.13 1.55 4.77 -0.65 -4.16 117.00 116.98 2w2o n LEU 130 Ca 0.14 -1.08 -0.11 0.00 -0.03 0.00 0.00 56.01 54.93 2w2o n LEU 130 Cb 0.95 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 2w2o n LEU 130 CO 0.28 0.54 0.72 -0.07 -1.33 0.00 0.00 177.39 177.53 2w2o h LEU 131 N 2.64 0.73 -0.13 2.23 3.38 -1.53 0.20 115.31 122.83 2w2o h LEU 131 Ca 0.00 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.64 2w2o h LEU 131 Cb 0.59 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2w2o h LEU 131 CO 0.00 0.92 -0.10 -0.08 0.09 0.00 0.00 178.44 179.27 2w2o h GLU 132 N 0.52 -0.10 -0.58 1.13 4.81 -1.82 0.27 114.58 118.81 2w2o h GLU 132 Ca 0.10 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2w2o h GLU 132 Cb 0.60 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 2w2o h GLU 132 CO 0.04 -0.07 0.36 1.25 -0.73 0.00 0.00 179.01 179.86 2w2o h LEU 133 N -0.11 0.59 -1.22 1.64 5.85 -1.78 -2.57 115.31 117.72 2w2o h LEU 133 Ca 0.08 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2w2o h LEU 133 Cb 0.23 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2w2o h LEU 133 CO -0.20 0.42 -0.39 0.00 -0.34 0.00 0.00 178.44 177.93 2w2o h ALA 134 N 1.25 1.34 0.00 1.25 0.00 -0.11 -2.78 119.26 120.21 2w2o h ALA 134 Ca 0.23 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2w2o h ALA 134 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2w2o h ALA 134 CO -0.09 0.49 -0.14 -0.07 0.00 0.00 0.00 179.25 179.43 2w2o h LEU 135 N 0.00 0.00 -0.68 0.00 3.38 -0.08 -2.93 115.31 115.01 2w2o h LEU 135 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2w2o h LEU 135 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2w2o h LEU 135 CO 0.05 0.14 -0.28 0.29 0.09 0.00 0.00 178.44 178.73 2w2o n LYS 136 N -3.29 1.03 -1.80 1.13 5.02 -1.05 -4.61 118.16 114.58 2w2o n LYS 136 Ca 0.00 -0.68 -0.37 0.00 -2.02 0.00 0.00 58.31 55.25 2w2o n LYS 136 Cb 0.39 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.97 2w2o n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2w2o s LEU 137 N -2.44 3.59 0.57 -0.35 1.43 -1.11 -4.98 118.68 115.39 2w2o s LEU 137 Ca 0.24 2.55 -0.21 0.00 -1.03 0.00 0.00 54.13 55.69 2w2o s LEU 137 Cb 0.19 -4.61 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 2w2o s LEU 137 CO 0.51 -1.92 1.32 -2.16 0.23 0.00 0.00 176.35 174.34 2w2o s PRO 138 N -3.39 3.03 0.00 1.29 0.04 -1.26 -3.61 135.00 131.10 2w2o s PRO 138 Ca 0.81 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.99 2w2o s PRO 138 Cb -0.35 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.04 2w2o s PRO 138 CO 0.38 -1.25 0.00 0.72 0.04 0.00 0.00 177.00 176.89 2w2o n HIS 139 N -1.24 0.00 -2.45 0.56 8.25 -1.26 -4.92 115.22 114.15 2w2o n HIS 139 Ca 0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.16 2w2o n HIS 139 Cb 0.46 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.20 2w2o n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2w2o s VAL 140 N -3.10 3.80 -0.21 1.59 1.01 -1.24 0.04 120.40 122.30 2w2o s VAL 140 Ca 0.00 1.49 -0.16 0.00 0.00 0.00 0.00 61.98 63.31 2w2o s VAL 140 Cb 0.00 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 2w2o s VAL 140 CO 0.00 0.23 -0.16 -0.67 0.00 0.00 0.00 175.10 174.50 2w2o n ASP 141 N 2.68 1.89 -3.52 3.32 2.03 0.24 -4.58 116.55 118.61 2w2o n ASP 141 Ca 0.04 0.42 -0.09 0.00 0.52 0.00 0.00 54.79 55.69 2w2o n ASP 141 Cb 0.46 -0.86 -0.02 0.00 -0.72 0.00 0.00 41.12 39.98 2w2o n ASP 141 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2w2o s TYR 142 N -2.50 -0.39 -0.03 -0.67 1.13 -1.09 -3.56 117.35 110.25 2w2o s TYR 142 Ca -0.29 0.19 0.06 0.00 -1.41 0.00 0.00 57.07 55.62 2w2o s TYR 142 Cb 0.07 0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 41.47 2w2o s TYR 142 CO 0.45 -0.72 -0.20 0.42 -2.51 0.00 0.00 175.55 172.99 2w2o s ILE 143 N -3.40 2.58 -0.15 -3.49 1.01 0.17 -1.81 121.20 116.11 2w2o s ILE 143 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2w2o s ILE 143 Cb -0.01 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.51 2w2o s ILE 143 CO -0.09 0.57 -0.14 -0.70 0.00 0.00 0.00 174.94 174.58 2w2o s GLU 144 N -0.71 2.31 0.33 2.79 2.12 -0.65 -0.47 118.70 124.41 2w2o s GLU 144 Ca 0.11 -0.57 -0.29 0.00 0.36 0.00 0.00 54.97 54.58 2w2o s GLU 144 Cb -0.10 -2.10 -0.12 0.00 0.26 0.00 0.00 34.13 32.07 2w2o s GLU 144 CO 0.00 -0.22 1.50 -1.91 -0.54 0.00 0.00 175.26 174.09 2w2o n GLU 145 N 4.72 2.57 -1.52 4.30 2.13 0.19 -0.20 120.64 132.83 2w2o n GLU 145 Ca -0.17 0.91 -0.34 0.00 0.66 0.00 0.00 57.16 58.22 2w2o n GLU 145 Cb 0.50 -2.64 0.08 0.00 0.27 0.00 0.00 31.44 29.66 2w2o n GLU 145 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2w2o s ASP 146 N 0.15 4.45 0.23 4.31 2.15 0.52 -4.62 116.67 123.86 2w2o s ASP 146 Ca 0.59 2.25 -0.12 0.00 0.43 0.00 0.00 52.55 55.70 2w2o s ASP 146 Cb -0.51 -2.58 -0.00 0.00 -0.30 0.00 0.00 42.92 39.53 2w2o s ASP 146 CO 0.56 -2.08 0.44 -0.94 -0.17 0.00 0.00 175.17 172.98 2w2o s SER 147 N -2.19 -0.08 0.26 -0.34 1.04 -1.26 -1.00 113.70 110.13 2w2o s SER 147 Ca 0.72 -0.91 -0.23 0.00 0.48 0.00 0.00 55.95 56.01 2w2o s SER 147 Cb -0.27 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.32 2w2o s SER 147 CO 0.44 -1.09 0.82 -0.44 0.98 0.00 0.00 173.24 173.94 2w2o s SER 148 N -3.01 7.20 0.07 7.02 0.01 0.76 -4.90 113.70 120.85 2w2o s SER 148 Ca 0.22 1.60 0.08 0.00 1.31 0.00 0.00 55.95 59.16 2w2o s SER 148 Cb 0.00 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 2w2o s SER 148 CO 0.07 0.01 -0.21 0.68 0.41 0.00 0.00 173.24 174.20 2w2o s VAL 149 N -1.53 1.68 0.03 3.43 -7.23 -1.26 -5.00 120.40 110.52 2w2o s VAL 149 Ca 0.45 -1.37 0.05 0.00 -1.81 0.00 0.00 61.98 59.30 2w2o s VAL 149 Cb -0.18 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 2w2o s VAL 149 CO 0.22 0.07 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.58 2w2o s PHE 150 N -0.98 1.26 0.37 2.82 0.08 -1.26 -5.12 117.98 115.14 2w2o s PHE 150 Ca 0.07 -0.33 -0.28 0.00 0.12 0.00 0.00 56.93 56.51 2w2o s PHE 150 Cb -0.09 -0.76 -0.11 0.00 -0.57 0.00 0.00 43.02 41.49 2w2o s PHE 150 CO 0.03 0.03 1.52 0.00 -0.10 0.00 0.00 175.22 176.70 2w2o n ALA 151 N 2.07 2.48 0.14 5.36 0.00 -1.26 -5.37 120.51 123.93 2w2o n ALA 151 Ca -0.17 0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.63 2w2o n ALA 151 Cb 0.55 -2.44 0.01 0.00 0.00 0.00 0.00 19.45 17.57 2w2o n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54