#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2m s ALA 62 N 0.00 3.49 0.24 2.41 0.00 -1.26 -4.99 121.76 121.65 2w2m s ALA 62 Ca 0.00 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.23 2w2m s ALA 62 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2w2m s ALA 62 CO 0.00 -0.54 -0.08 0.95 0.00 0.00 0.00 175.76 176.09 2w2m s THR 63 N -0.98 3.13 -0.10 0.00 -4.23 -1.21 -4.98 115.64 107.27 2w2m s THR 63 Ca 0.49 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 2w2m s THR 63 Cb -0.38 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 2w2m s THR 63 CO 0.49 -0.30 -0.05 0.12 -0.54 0.00 0.00 174.62 174.34 2w2m s PHE 64 N -2.16 2.99 0.01 3.99 5.36 -1.26 -0.62 117.98 126.29 2w2m s PHE 64 Ca 0.29 -0.07 0.04 0.00 -0.96 0.00 0.00 56.93 56.23 2w2m s PHE 64 Cb -0.07 -1.80 -0.01 0.00 -0.34 0.00 0.00 43.02 40.80 2w2m s PHE 64 CO 0.17 0.23 -0.13 -1.01 -1.46 0.00 0.00 175.22 173.02 2w2m s HIS 65 N -0.44 1.13 0.13 10.12 3.76 0.18 -4.97 115.29 125.20 2w2m s HIS 65 Ca 0.07 -0.27 -0.07 0.00 -0.15 0.00 0.00 55.06 54.64 2w2m s HIS 65 Cb -0.12 -0.70 -0.01 0.00 1.11 0.00 0.00 32.58 32.85 2w2m s HIS 65 CO 0.02 -0.00 0.20 -0.98 -0.85 0.00 0.00 174.74 173.13 2w2m s ARG 66 N -0.62 1.00 0.26 1.40 1.70 -1.26 -0.80 118.95 120.62 2w2m s ARG 66 Ca 0.03 -1.16 -0.30 0.00 -0.47 0.00 0.00 55.73 53.83 2w2m s ARG 66 Cb -0.06 0.34 -0.11 0.00 -0.57 0.00 0.00 34.95 34.55 2w2m s ARG 66 CO 0.00 -0.33 1.51 0.00 -1.08 0.00 0.00 175.30 175.40 2w2m h ALA 68 N 5.14 1.00 -2.23 0.00 0.00 -2.00 -3.41 119.26 117.76 2w2m h ALA 68 Ca -0.46 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 53.70 2w2m h ALA 68 Cb 1.22 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 2w2m h ALA 68 CO 0.80 0.00 -0.29 0.21 0.00 0.00 0.00 179.25 179.97 2w2m s LYS 69 N -3.61 2.96 0.18 0.00 2.20 -1.26 -5.00 119.74 115.21 2w2m s LYS 69 Ca 0.02 -1.52 -0.17 0.00 -0.36 0.00 0.00 55.97 53.94 2w2m s LYS 69 Cb 0.08 -4.19 0.14 0.00 -1.51 0.00 0.00 37.83 32.35 2w2m s LYS 69 CO 0.56 -1.17 1.27 -3.47 -0.36 0.00 0.00 175.35 172.18 2w2m n ASP 70 N 5.21 -0.60 0.07 1.43 2.03 -1.26 -0.87 116.55 122.56 2w2m n ASP 70 Ca -0.13 1.43 0.09 0.00 0.52 0.00 0.00 54.79 56.70 2w2m n ASP 70 Cb 0.42 -0.30 0.39 0.00 -0.72 0.00 0.00 41.12 40.92 2w2m n ASP 70 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2w2m n PRO 71 N -5.17 0.10 0.00 -0.67 -0.02 -1.26 -2.51 135.00 125.47 2w2m n PRO 71 Ca 0.07 0.36 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 2w2m n PRO 71 Cb 0.30 -1.70 0.21 0.00 -0.02 0.00 0.00 33.50 32.30 2w2m n PRO 71 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2w2m n TRP 72 N -1.88 0.00 -2.33 6.00 8.01 -0.05 -4.94 117.44 122.26 2w2m n TRP 72 Ca 0.02 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.81 2w2m n TRP 72 Cb 0.18 -0.08 -0.03 0.00 -2.01 0.00 0.00 31.31 29.37 2w2m n TRP 72 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2w2m s ARG 73 N -2.54 4.52 -0.63 -0.99 0.52 -1.04 -0.06 118.95 118.72 2w2m s ARG 73 Ca 0.21 1.97 0.05 0.00 -0.52 0.00 0.00 55.73 57.44 2w2m s ARG 73 Cb 0.19 -3.14 0.17 0.00 0.52 0.00 0.00 34.95 32.68 2w2m s ARG 73 CO 0.56 0.04 0.45 -0.51 0.02 0.00 0.00 175.30 175.87 2w2m s LEU 74 N -1.55 4.05 0.65 2.53 1.43 -0.21 -4.85 118.68 120.73 2w2m s LEU 74 Ca 0.46 -3.64 -0.17 0.00 -1.03 0.00 0.00 54.13 49.75 2w2m s LEU 74 Cb -0.35 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2w2m s LEU 74 CO 0.46 -0.11 1.22 -2.84 0.23 0.00 0.00 176.35 175.31 2w2m s PRO 75 N -1.07 2.65 0.00 1.29 0.02 -1.26 -3.65 135.00 132.98 2w2m s PRO 75 Ca 0.26 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2w2m s PRO 75 Cb -0.04 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2w2m s PRO 75 CO -0.16 -1.46 0.00 0.41 -0.33 0.00 0.00 177.00 175.45 2w2m n GLY 76 N 0.51 1.98 3.18 0.52 0.00 -1.26 -5.03 105.19 105.10 2w2m n GLY 76 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2w2m n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w2m s THR 77 N -2.41 1.88 -0.01 2.61 2.01 -1.24 -0.65 115.64 117.83 2w2m s THR 77 Ca 0.00 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.10 2w2m s THR 77 Cb 0.00 -1.63 -0.00 0.00 0.01 0.00 0.00 72.50 70.88 2w2m s THR 77 CO 0.00 0.52 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.08 2w2m s TYR 78 N 0.37 0.55 -0.40 4.92 2.02 0.07 -0.75 117.35 124.13 2w2m s TYR 78 Ca -0.17 -0.11 -0.18 0.00 -0.37 0.00 0.00 57.07 56.24 2w2m s TYR 78 Cb -0.17 -0.38 0.01 0.00 -0.40 0.00 0.00 41.96 41.02 2w2m s TYR 78 CO 0.08 -0.03 0.52 0.08 -1.57 0.00 0.00 175.55 174.62 2w2m s VAL 79 N -0.02 4.99 -0.42 0.71 1.01 0.98 -1.03 120.40 126.62 2w2m s VAL 79 Ca 0.01 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 2w2m s VAL 79 Cb -0.04 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2w2m s VAL 79 CO -0.00 -0.39 0.71 -0.69 0.00 0.00 0.00 175.10 174.73 2w2m s VAL 80 N 2.41 4.76 -0.26 2.92 1.01 -0.03 -1.04 120.40 130.16 2w2m s VAL 80 Ca 0.17 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 2w2m s VAL 80 Cb -0.16 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 2w2m s VAL 80 CO 0.15 -0.57 0.17 -0.69 0.00 0.00 0.00 175.10 174.16 2w2m s VAL 81 N 3.01 5.26 0.39 2.92 1.01 -0.03 -1.83 120.40 131.14 2w2m s VAL 81 Ca 0.27 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2w2m s VAL 81 Cb -0.13 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2w2m s VAL 81 CO 0.19 0.29 0.58 -0.76 0.00 0.00 0.00 175.10 175.41 2w2m s LEU 82 N 1.51 3.84 0.74 3.92 1.43 -0.92 -0.03 118.68 129.16 2w2m s LEU 82 Ca 0.07 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.24 2w2m s LEU 82 Cb -0.15 -3.11 0.04 0.00 0.03 0.00 0.00 46.19 43.00 2w2m s LEU 82 CO 0.08 -0.51 1.25 -0.54 0.23 0.00 0.00 176.35 176.87 2w2m s LYS 83 N -4.39 2.03 0.24 1.70 1.02 0.19 -4.58 119.74 115.96 2w2m s LYS 83 Ca 0.45 1.92 -0.08 0.00 0.02 0.00 0.00 55.97 58.28 2w2m s LYS 83 Cb -0.10 -1.80 0.42 0.00 -0.52 0.00 0.00 37.83 35.83 2w2m s LYS 83 CO 0.36 -1.95 1.63 1.49 -0.92 0.00 0.00 175.35 175.95 2w2m h GLU 84 N -0.24 0.07 -0.68 1.68 4.81 -1.96 -2.20 114.58 116.06 2w2m h GLU 84 Ca -0.48 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2w2m h GLU 84 Cb 1.32 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 2w2m h GLU 84 CO 0.49 0.05 0.01 0.39 -0.73 0.00 0.00 179.01 179.22 2w2m n GLU 85 N -5.38 4.06 -2.24 1.92 1.02 -1.26 -4.76 120.64 113.99 2w2m n GLU 85 Ca 0.13 -2.49 -0.42 0.00 -0.02 0.00 0.00 57.16 54.36 2w2m n GLU 85 Cb 0.46 -2.11 -0.03 0.00 -0.02 0.00 0.00 31.44 29.75 2w2m n GLU 85 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2w2m s THR 86 N -2.39 3.76 0.65 2.62 2.01 -0.83 -5.02 115.64 116.43 2w2m s THR 86 Ca 0.43 1.14 -0.11 0.00 0.31 0.00 0.00 61.69 63.45 2w2m s THR 86 Cb 0.33 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 2w2m s THR 86 CO 0.12 -0.00 1.04 -1.00 -0.69 0.00 0.00 174.62 174.10 2w2m s HIS 87 N 2.35 3.35 0.26 4.92 3.76 -1.26 -4.78 115.29 123.89 2w2m s HIS 87 Ca 0.63 1.37 -0.02 0.00 -0.15 0.00 0.00 55.06 56.89 2w2m s HIS 87 Cb -0.31 -2.81 0.48 0.00 1.11 0.00 0.00 32.58 31.05 2w2m s HIS 87 CO 0.26 -0.94 1.78 1.25 -0.85 0.00 0.00 174.74 176.24 2w2m h LEU 88 N -0.38 0.58 -0.99 0.89 5.85 -1.95 -1.50 115.31 117.80 2w2m h LEU 88 Ca -0.44 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.26 2w2m h LEU 88 Cb 1.20 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2w2m h LEU 88 CO 0.59 0.28 -0.29 0.77 -0.34 0.00 0.00 178.44 179.45 2w2m h SER 89 N 0.68 0.38 0.03 1.25 4.64 -1.99 -1.05 113.55 117.49 2w2m h SER 89 Ca 0.44 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.51 2w2m h SER 89 Cb 0.54 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2w2m h SER 89 CO -0.32 0.66 -0.35 1.56 -0.87 0.00 0.00 176.83 177.51 2w2m h GLN 90 N 0.33 0.44 -0.38 4.77 4.20 -1.74 -1.67 115.11 121.06 2w2m h GLN 90 Ca 0.05 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.42 2w2m h GLN 90 Cb 0.68 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2w2m h GLN 90 CO 0.05 0.74 -0.28 1.03 -0.67 0.00 0.00 178.83 179.70 2w2m h SER 91 N 0.38 0.90 -0.45 1.46 0.87 -0.78 -2.28 113.55 113.64 2w2m h SER 91 Ca 0.04 -0.44 -0.12 0.00 -1.23 0.00 0.00 61.79 60.04 2w2m h SER 91 Cb 0.80 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2w2m h SER 91 CO 0.06 1.15 -0.19 -0.33 -0.53 0.00 0.00 176.83 176.99 2w2m h GLU 92 N 0.66 0.93 -0.54 2.24 5.08 -1.14 -1.92 114.58 119.89 2w2m h GLU 92 Ca 0.07 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 2w2m h GLU 92 Cb 0.85 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2w2m h GLU 92 CO 0.07 1.06 0.12 -0.09 -1.00 0.00 0.00 179.01 179.17 2w2m h ARG 93 N 0.77 0.84 -0.41 2.33 2.43 -1.32 -1.13 114.38 117.90 2w2m h ARG 93 Ca 0.10 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 2w2m h ARG 93 Cb 0.76 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2w2m h ARG 93 CO 0.06 0.77 -0.29 1.15 -1.51 0.00 0.00 179.97 180.15 2w2m h THR 94 N 0.81 1.28 -0.47 0.20 2.02 -1.29 -1.40 112.91 114.05 2w2m h THR 94 Ca 0.17 -1.45 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 2w2m h THR 94 Cb 0.32 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2w2m h THR 94 CO 0.00 0.49 0.18 0.00 0.37 0.00 0.00 175.52 176.56 2w2m h ALA 95 N 0.80 0.62 -0.55 6.16 0.00 -1.16 -1.64 119.26 123.48 2w2m h ALA 95 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2w2m h ALA 95 Cb 0.87 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2w2m h ALA 95 CO 0.08 0.24 0.23 0.00 0.00 0.00 0.00 179.25 179.79 2w2m h ARG 96 N 0.63 0.79 -0.34 0.00 3.08 -1.14 -1.68 114.38 115.72 2w2m h ARG 96 Ca 0.16 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2w2m h ARG 96 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2w2m h ARG 96 CO -0.01 0.65 0.04 -0.09 -1.07 0.00 0.00 179.97 179.48 2w2m h ARG 97 N 0.79 0.57 -0.18 0.04 2.43 -1.08 -0.83 114.38 116.12 2w2m h ARG 97 Ca 0.19 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2w2m h ARG 97 Cb 0.15 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2w2m h ARG 97 CO -0.02 0.67 -0.06 1.25 -1.51 0.00 0.00 179.97 180.29 2w2m h LEU 98 N 0.39 -0.22 -0.75 3.80 5.85 -1.00 0.25 115.31 123.62 2w2m h LEU 98 Ca 0.10 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2w2m h LEU 98 Cb 0.39 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2w2m h LEU 98 CO 0.01 -0.09 0.39 1.56 -0.34 0.00 0.00 178.44 179.98 2w2m h GLN 99 N -0.03 1.06 -0.04 1.25 4.20 -1.23 -0.85 115.11 119.47 2w2m h GLN 99 Ca 0.09 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2w2m h GLN 99 Cb 0.17 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2w2m h GLN 99 CO -0.20 0.80 -0.03 0.00 -0.67 0.00 0.00 178.83 178.74 2w2m h ALA 100 N 1.20 0.06 -0.82 3.87 0.00 -0.85 -0.65 119.26 122.07 2w2m h ALA 100 Ca 0.26 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2w2m h ALA 100 Cb 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2w2m h ALA 100 CO -0.04 -0.19 0.52 1.96 0.00 0.00 0.00 179.25 181.50 2w2m h GLN 101 N -0.34 0.98 -0.09 0.00 4.20 -0.48 -2.47 115.11 116.91 2w2m h GLN 101 Ca 0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2w2m h GLN 101 Cb 0.49 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2w2m h GLN 101 CO 0.01 0.65 -0.07 0.00 -0.67 0.00 0.00 178.83 178.74 2w2m h ALA 102 N 1.35 0.14 -0.90 3.87 0.00 -1.14 -3.02 119.26 119.55 2w2m h ALA 102 Ca 0.33 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2w2m h ALA 102 Cb 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2w2m h ALA 102 CO -0.12 -0.06 0.60 0.00 0.00 0.00 0.00 179.25 179.67 2w2m h ALA 103 N 0.60 1.38 0.00 0.00 0.00 -0.96 -0.38 119.26 119.91 2w2m h ALA 103 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2w2m h ALA 103 Cb 0.56 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2w2m h ALA 103 CO 0.02 0.56 -0.18 0.00 0.00 0.00 0.00 179.25 179.64 2w2m h ARG 104 N 1.19 0.00 -0.01 0.00 3.08 -1.48 -2.02 114.38 115.14 2w2m h ARG 104 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2w2m h ARG 104 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2w2m h ARG 104 CO -0.09 0.18 -0.08 0.54 -1.07 0.00 0.00 179.97 179.46 2w2m n ARG 105 N -3.91 1.43 0.00 0.04 1.74 -0.59 -4.94 116.66 110.43 2w2m n ARG 105 Ca -0.02 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.22 2w2m n ARG 105 Cb 0.27 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2w2m n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2w2m n GLY 106 N 1.23 1.13 3.40 -0.13 0.00 -0.76 -5.08 105.19 104.98 2w2m n GLY 106 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2w2m n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2w2m s TYR 107 N -2.00 2.73 0.14 1.61 2.02 -0.25 -4.97 117.35 116.62 2w2m s TYR 107 Ca 0.00 -0.45 -0.28 0.00 -0.37 0.00 0.00 57.07 55.96 2w2m s TYR 107 Cb 0.00 -1.73 -0.07 0.00 -0.40 0.00 0.00 41.96 39.76 2w2m s TYR 107 CO 0.00 -0.05 0.89 -1.17 -1.57 0.00 0.00 175.55 173.66 2w2m s LEU 108 N -0.16 4.55 0.08 -1.29 0.20 -1.26 -2.85 118.68 117.95 2w2m s LEU 108 Ca -0.01 1.75 0.05 0.00 0.69 0.00 0.00 54.13 56.61 2w2m s LEU 108 Cb -0.14 -3.48 -0.03 0.00 -0.43 0.00 0.00 46.19 42.11 2w2m s LEU 108 CO 0.03 0.05 -0.13 0.42 -0.29 0.00 0.00 176.35 176.44 2w2m s THR 109 N -0.50 1.07 -0.13 3.68 -4.23 -1.26 -4.64 115.64 109.63 2w2m s THR 109 Ca 0.42 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 2w2m s THR 109 Cb -0.23 -1.17 0.02 0.00 1.34 0.00 0.00 72.50 72.45 2w2m s THR 109 CO 0.29 -0.33 -0.15 -0.54 -0.54 0.00 0.00 174.62 173.35 2w2m s LYS 110 N -2.09 2.26 -0.39 3.99 1.02 -0.33 -5.01 119.74 119.20 2w2m s LYS 110 Ca 0.01 -0.56 -0.23 0.00 0.02 0.00 0.00 55.97 55.21 2w2m s LYS 110 Cb -0.08 -2.00 0.01 0.00 -0.52 0.00 0.00 37.83 35.25 2w2m s LYS 110 CO 0.02 -0.15 0.76 0.42 -0.92 0.00 0.00 175.35 175.48 2w2m s ILE 111 N 1.24 4.73 -0.01 2.17 -1.09 -1.26 -0.43 121.20 126.56 2w2m s ILE 111 Ca -0.01 0.69 0.11 0.00 -2.23 0.00 0.00 60.65 59.22 2w2m s ILE 111 Cb -0.14 -4.22 -0.22 0.00 -1.58 0.00 0.00 42.46 36.30 2w2m s ILE 111 CO -0.06 -0.50 0.85 -0.07 -1.23 0.00 0.00 174.94 173.92 2w2m h LEU 112 N 9.80 0.00 -7.00 2.97 3.38 -0.79 -3.48 115.31 120.20 2w2m h LEU 112 Ca -0.25 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.78 2w2m h LEU 112 Cb 1.09 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.59 2w2m h LEU 112 CO 0.91 0.97 0.35 -2.28 0.09 0.00 0.00 178.44 178.49 2w2m s HIS 113 N -2.65 -0.60 -0.19 1.13 5.04 -1.20 -4.98 115.29 111.83 2w2m s HIS 113 Ca -0.03 1.34 -0.06 0.00 -1.54 0.00 0.00 55.06 54.77 2w2m s HIS 113 Cb 0.09 0.38 -0.03 0.00 0.04 0.00 0.00 32.58 33.05 2w2m s HIS 113 CO 0.82 -0.29 0.04 0.08 -2.34 0.00 0.00 174.74 173.05 2w2m s VAL 114 N 0.74 4.43 -0.17 0.89 1.01 -1.26 0.26 120.40 126.31 2w2m s VAL 114 Ca -0.02 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 2w2m s VAL 114 Cb -0.05 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 2w2m s VAL 114 CO -0.10 0.44 0.93 -0.36 0.00 0.00 0.00 175.10 176.01 2w2m s PHE 115 N 0.69 3.43 -0.08 5.22 0.08 0.53 -4.98 117.98 122.88 2w2m s PHE 115 Ca 0.02 1.40 -0.02 0.00 0.12 0.00 0.00 56.93 58.46 2w2m s PHE 115 Cb -0.14 -3.13 0.03 0.00 -0.57 0.00 0.00 43.02 39.22 2w2m s PHE 115 CO 0.02 -0.30 0.01 -3.38 -0.10 0.00 0.00 175.22 171.47 2w2m s HIS 116 N 2.37 0.63 0.00 0.36 -3.43 -1.26 -3.94 115.29 110.02 2w2m s HIS 116 Ca 0.43 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.51 2w2m s HIS 116 Cb -0.17 -0.79 0.00 0.00 -1.43 0.00 0.00 32.58 30.20 2w2m s HIS 116 CO 0.12 -0.34 0.00 0.41 -2.00 0.00 0.00 174.74 172.94 2w2m n GLY 117 N 5.16 2.94 0.08 -1.38 0.00 -1.26 -4.96 105.19 105.78 2w2m n GLY 117 Ca -0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 2w2m n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2w2m n LEU 118 N 0.00 1.88 -4.10 0.99 4.77 -1.26 -5.04 117.00 114.24 2w2m n LEU 118 Ca 0.00 0.46 -0.10 0.00 -0.03 0.00 0.00 56.01 56.34 2w2m n LEU 118 Cb 0.00 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.18 2w2m n LEU 118 CO 0.00 -0.30 -0.38 -1.48 -1.33 0.00 0.00 177.39 173.90 2w2m s LEU 119 N -8.02 2.41 0.29 2.23 0.05 -1.26 -5.15 118.68 109.23 2w2m s LEU 119 Ca -0.24 -0.83 -0.25 0.00 0.05 0.00 0.00 54.13 52.87 2w2m s LEU 119 Cb 0.04 -0.01 -0.09 0.00 -2.05 0.00 0.00 46.19 44.07 2w2m s LEU 119 CO 0.35 -0.41 0.89 -2.16 -0.55 0.00 0.00 176.35 174.47 2w2m s PRO 120 N -3.00 4.52 0.00 1.48 0.04 -1.26 -4.33 135.00 132.45 2w2m s PRO 120 Ca 0.02 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2w2m s PRO 120 Cb 0.00 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2w2m s PRO 120 CO -0.04 0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.74 2w2m n GLY 121 N 0.68 0.28 3.47 0.56 0.00 -1.25 -2.17 105.19 106.76 2w2m n GLY 121 Ca 0.01 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 2w2m n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2w2m s PHE 122 N -2.63 -0.20 -0.23 1.61 -0.71 -0.76 -0.34 117.98 114.72 2w2m s PHE 122 Ca 0.00 -0.12 -0.07 0.00 -1.04 0.00 0.00 56.93 55.70 2w2m s PHE 122 Cb 0.00 0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 2w2m s PHE 122 CO 0.00 -0.87 0.06 -1.17 -1.34 0.00 0.00 175.22 171.90 2w2m s LEU 123 N -2.84 3.52 -0.06 -1.99 2.96 0.14 -0.85 118.68 119.56 2w2m s LEU 123 Ca 0.07 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 2w2m s LEU 123 Cb -0.01 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 2w2m s LEU 123 CO -0.06 0.03 -0.20 0.54 -1.32 0.00 0.00 176.35 175.34 2w2m s VAL 124 N 1.25 1.71 -0.29 1.68 0.11 -0.20 0.01 120.40 124.67 2w2m s VAL 124 Ca 0.05 -0.85 -0.11 0.00 -2.93 0.00 0.00 61.98 58.14 2w2m s VAL 124 Cb -0.15 -1.47 -0.03 0.00 -1.53 0.00 0.00 36.38 33.20 2w2m s VAL 124 CO 0.03 0.48 0.18 -0.75 -3.33 0.00 0.00 175.10 171.71 2w2m s LYS 125 N 0.16 3.70 0.34 1.54 2.20 0.43 -0.75 119.74 127.36 2w2m s LYS 125 Ca -0.09 -0.48 -0.18 0.00 -0.36 0.00 0.00 55.97 54.85 2w2m s LYS 125 Cb -0.14 -3.62 0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2w2m s LYS 125 CO 0.05 -0.28 0.76 0.00 -0.36 0.00 0.00 175.35 175.52 2w2m s MET 126 N 1.70 2.06 0.35 4.03 0.23 0.17 -1.18 119.30 126.67 2w2m s MET 126 Ca 0.06 -1.26 -0.27 0.00 -1.03 0.00 0.00 55.69 53.19 2w2m s MET 126 Cb -0.16 0.62 -0.09 0.00 -1.53 0.00 0.00 34.83 33.67 2w2m s MET 126 CO 0.09 -0.96 1.14 0.45 -2.03 0.00 0.00 175.02 173.71 2w2m s SER 127 N -3.01 6.85 0.00 -1.18 0.15 -1.26 -4.37 113.70 110.87 2w2m s SER 127 Ca 0.14 2.30 0.13 0.00 0.70 0.00 0.00 55.95 59.22 2w2m s SER 127 Cb -0.05 -2.62 0.64 0.00 -1.71 0.00 0.00 66.02 62.28 2w2m s SER 127 CO 0.10 -0.44 1.32 0.61 1.20 0.00 0.00 173.24 176.02 2w2m n GLY 128 N 0.79 -0.71 0.17 9.45 0.00 -1.26 -2.10 105.19 111.55 2w2m n GLY 128 Ca 0.02 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2w2m n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2w2m h ASP 129 N 0.00 0.00 -0.58 1.61 3.32 -2.04 -3.11 116.42 115.62 2w2m h ASP 129 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2w2m h ASP 129 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2w2m h ASP 129 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 2w2m n LEU 130 N -2.47 4.88 0.00 1.55 4.77 -0.89 -4.44 117.00 120.40 2w2m n LEU 130 Ca 0.01 -2.62 -0.18 0.00 -0.03 0.00 0.00 56.01 53.19 2w2m n LEU 130 Cb 0.23 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 2w2m n LEU 130 CO 0.21 0.75 0.22 -0.07 -1.33 0.00 0.00 177.39 177.16 2w2m h LEU 131 N 3.75 0.80 -0.34 2.23 3.38 -1.74 -1.64 115.31 121.75 2w2m h LEU 131 Ca 0.00 -0.69 0.06 0.00 0.09 0.00 0.00 57.88 57.34 2w2m h LEU 131 Cb 1.57 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 42.02 2w2m h LEU 131 CO 0.29 1.38 -0.03 -0.33 0.09 0.00 0.00 178.44 179.84 2w2m h GLU 132 N 0.30 0.06 0.13 1.13 5.08 -1.84 0.19 114.58 119.62 2w2m h GLU 132 Ca -0.08 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2w2m h GLU 132 Cb 1.44 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 2w2m h GLU 132 CO 0.16 0.04 -0.31 1.25 -1.00 0.00 0.00 179.01 179.15 2w2m h LEU 133 N 0.06 -0.88 -1.29 1.33 6.46 -1.84 -2.57 115.31 116.58 2w2m h LEU 133 Ca 0.16 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2w2m h LEU 133 Cb 0.23 0.33 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 2w2m h LEU 133 CO -0.30 -0.40 0.38 0.00 -0.62 0.00 0.00 178.44 177.50 2w2m h ALA 134 N 0.13 1.47 0.00 1.25 0.00 -1.05 -2.41 119.26 118.66 2w2m h ALA 134 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2w2m h ALA 134 Cb 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2w2m h ALA 134 CO -0.18 0.46 -0.13 -0.07 0.00 0.00 0.00 179.25 179.33 2w2m h LEU 135 N 0.87 0.00 -1.72 0.00 3.38 -0.43 -2.86 115.31 114.55 2w2m h LEU 135 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2w2m h LEU 135 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2w2m h LEU 135 CO -0.04 0.13 0.00 0.29 0.09 0.00 0.00 178.44 178.91 2w2m n LYS 136 N -3.50 2.15 -1.85 1.13 5.02 -0.91 -4.58 118.16 115.61 2w2m n LYS 136 Ca -0.01 -1.71 -0.34 0.00 -2.02 0.00 0.00 58.31 54.24 2w2m n LYS 136 Cb 0.28 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.87 2w2m n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2w2m s LEU 137 N -1.71 3.47 0.49 -0.35 1.43 -1.08 -5.00 118.68 115.92 2w2m s LEU 137 Ca 0.34 2.07 -0.23 0.00 -1.03 0.00 0.00 54.13 55.29 2w2m s LEU 137 Cb 0.20 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.80 2w2m s LEU 137 CO 0.30 -1.59 1.23 -2.16 0.23 0.00 0.00 176.35 174.36 2w2m s PRO 138 N -3.89 3.57 0.00 1.29 0.04 -1.26 -3.47 135.00 131.28 2w2m s PRO 138 Ca 0.69 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2w2m s PRO 138 Cb -0.22 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2w2m s PRO 138 CO 0.38 -0.75 0.00 0.72 0.04 0.00 0.00 177.00 177.39 2w2m n HIS 139 N -0.65 0.00 -2.09 0.56 8.25 -1.26 -4.94 115.22 115.09 2w2m n HIS 139 Ca 0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 2w2m n HIS 139 Cb 0.47 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.55 2w2m n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2w2m s VAL 140 N -2.95 3.29 -0.16 1.59 1.01 -1.23 0.57 120.40 122.53 2w2m s VAL 140 Ca 0.00 0.80 -0.12 0.00 0.00 0.00 0.00 61.98 62.65 2w2m s VAL 140 Cb 0.00 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2w2m s VAL 140 CO 0.00 0.02 -0.15 -0.67 0.00 0.00 0.00 175.10 174.30 2w2m n ASP 141 N 4.97 1.84 -3.63 3.32 2.03 0.95 -4.57 116.55 121.45 2w2m n ASP 141 Ca 0.14 0.56 -0.10 0.00 0.52 0.00 0.00 54.79 55.91 2w2m n ASP 141 Cb 0.42 -0.87 -0.03 0.00 -0.72 0.00 0.00 41.12 39.92 2w2m n ASP 141 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2w2m s TYR 142 N -2.35 -0.28 -0.05 -0.67 1.13 -0.90 -3.33 117.35 110.90 2w2m s TYR 142 Ca -0.19 -0.03 0.06 0.00 -1.41 0.00 0.00 57.07 55.50 2w2m s TYR 142 Cb 0.03 0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 41.36 2w2m s TYR 142 CO 0.31 -0.91 -0.24 0.42 -2.51 0.00 0.00 175.55 172.62 2w2m s ILE 143 N -3.83 1.94 -0.10 -3.49 1.01 0.21 -0.85 121.20 116.10 2w2m s ILE 143 Ca 0.06 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.72 2w2m s ILE 143 Cb -0.01 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.82 2w2m s ILE 143 CO -0.06 0.54 -0.19 -0.70 0.00 0.00 0.00 174.94 174.54 2w2m s GLU 144 N -0.20 2.51 0.33 2.79 2.12 -0.21 -0.64 118.70 125.39 2w2m s GLU 144 Ca -0.02 -0.68 -0.28 0.00 0.36 0.00 0.00 54.97 54.35 2w2m s GLU 144 Cb -0.13 -2.00 -0.10 0.00 0.26 0.00 0.00 34.13 32.17 2w2m s GLU 144 CO 0.03 0.05 1.22 -2.00 -0.54 0.00 0.00 175.26 174.02 2w2m s GLU 145 N 0.66 4.40 0.71 4.30 2.12 0.02 -0.01 118.70 130.90 2w2m s GLU 145 Ca -0.13 2.03 -0.14 0.00 0.36 0.00 0.00 54.97 57.09 2w2m s GLU 145 Cb -0.16 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.21 2w2m s GLU 145 CO 0.03 -0.08 1.14 0.34 -0.54 0.00 0.00 175.26 176.16 2w2m s ASP 146 N -0.71 4.59 0.14 -1.70 2.15 0.07 -4.64 116.67 116.56 2w2m s ASP 146 Ca 0.49 2.12 -0.15 0.00 0.43 0.00 0.00 52.55 55.43 2w2m s ASP 146 Cb -0.36 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 39.73 2w2m s ASP 146 CO 0.47 -1.99 0.40 -0.94 -0.17 0.00 0.00 175.17 172.94 2w2m s SER 147 N -2.47 -0.20 0.40 -0.34 1.04 -1.26 -1.04 113.70 109.83 2w2m s SER 147 Ca 0.69 -0.40 -0.23 0.00 0.48 0.00 0.00 55.95 56.49 2w2m s SER 147 Cb -0.23 0.48 -0.09 0.00 0.10 0.00 0.00 66.02 66.27 2w2m s SER 147 CO 0.45 -0.88 1.01 -0.44 0.98 0.00 0.00 173.24 174.37 2w2m s SER 148 N -2.83 6.85 0.18 7.02 0.01 0.91 -4.91 113.70 120.92 2w2m s SER 148 Ca 0.05 1.93 0.09 0.00 1.31 0.00 0.00 55.95 59.33 2w2m s SER 148 Cb 0.02 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2w2m s SER 148 CO -0.10 -0.43 -0.19 0.68 0.41 0.00 0.00 173.24 173.61 2w2m s VAL 149 N -1.78 1.95 0.01 3.43 -7.23 -1.26 -5.00 120.40 110.52 2w2m s VAL 149 Ca 0.58 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 2w2m s VAL 149 Cb -0.18 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 2w2m s VAL 149 CO 0.23 -0.31 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.31 2w2m s PHE 150 N -2.07 0.44 0.06 2.82 0.08 -1.26 -5.12 117.98 112.93 2w2m s PHE 150 Ca 0.18 -0.17 -0.36 0.00 0.12 0.00 0.00 56.93 56.70 2w2m s PHE 150 Cb -0.06 -0.28 -0.15 0.00 -0.57 0.00 0.00 43.02 41.96 2w2m s PHE 150 CO 0.08 -0.03 1.50 0.00 -0.10 0.00 0.00 175.22 176.67 2w2m n ALA 151 N 2.65 -0.02 0.87 5.36 0.00 -1.26 -5.37 120.51 122.75 2w2m n ALA 151 Ca -0.15 0.46 0.10 0.00 0.00 0.00 0.00 53.44 53.86 2w2m n ALA 151 Cb 0.58 -2.21 0.09 0.00 0.00 0.00 0.00 19.45 17.90 2w2m n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54