#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwk n GLY 9 N 0.00 -0.32 3.08 2.61 0.00 -1.26 -4.90 105.19 104.39 2wwk n GLY 9 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2wwk n GLY 9 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wwk s SER 10 N -1.31 -0.18 0.79 1.61 1.04 -0.27 -4.95 113.70 110.43 2wwk s SER 10 Ca 0.77 0.32 -0.11 0.00 0.48 0.00 0.00 55.95 57.41 2wwk s SER 10 Cb -0.40 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.15 2wwk s SER 10 CO 0.46 -0.10 1.09 -2.16 0.98 0.00 0.00 173.24 173.51 2wwk s PRO 11 N -0.06 2.18 0.45 4.02 0.04 -1.26 -1.50 135.00 138.87 2wwk s PRO 11 Ca -0.02 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.55 2wwk s PRO 11 Cb -0.02 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 2wwk s PRO 11 CO 0.00 -1.58 1.31 -2.14 0.04 0.00 0.00 177.00 174.63 2wwk s PRO 12 N -5.09 3.73 0.03 0.56 0.02 -1.26 -4.41 135.00 128.58 2wwk s PRO 12 Ca 0.60 2.15 -0.00 0.00 0.02 0.00 0.00 61.00 63.77 2wwk s PRO 12 Cb -0.15 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 31.76 2wwk s PRO 12 CO 0.55 -0.69 -0.03 0.00 -0.33 0.00 0.00 177.00 176.49 2wwk s PHE 14 N -2.31 3.55 -0.08 0.00 0.08 -1.26 -0.72 117.98 117.24 2wwk s PHE 14 Ca -0.07 0.78 0.05 0.00 0.12 0.00 0.00 56.93 57.80 2wwk s PHE 14 Cb -0.04 -2.37 -0.24 0.00 -0.57 0.00 0.00 43.02 39.80 2wwk s PHE 14 CO -0.04 0.34 0.54 1.28 -0.10 0.00 0.00 175.22 177.24 2wwk n LEU 15 N 3.08 1.56 -3.84 -0.37 4.32 0.14 -4.94 117.00 116.96 2wwk n LEU 15 Ca -0.11 0.33 -0.12 0.00 -0.02 0.00 0.00 56.01 56.08 2wwk n LEU 15 Cb 0.52 -0.33 -0.14 0.00 -1.62 0.00 0.00 43.42 41.85 2wwk n LEU 15 CO 0.40 0.57 -0.31 -0.60 -1.22 0.00 0.00 177.39 176.23 2wwk s ARG 16 N -2.58 0.05 0.21 3.23 3.52 -1.08 -4.95 118.95 117.35 2wwk s ARG 16 Ca -0.12 0.09 0.09 0.00 -0.13 0.00 0.00 55.73 55.67 2wwk s ARG 16 Cb 0.07 -0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.41 2wwk s ARG 16 CO 0.80 -0.03 -0.08 1.03 -0.81 0.00 0.00 175.30 176.22 2wwk s ARG 17 N 0.18 2.10 0.37 5.12 0.52 -1.26 -1.46 118.95 124.52 2wwk s ARG 17 Ca -0.01 -1.33 -0.28 0.00 -0.52 0.00 0.00 55.73 53.59 2wwk s ARG 17 Cb -0.02 -2.14 -0.10 0.00 0.52 0.00 0.00 34.95 33.20 2wwk s ARG 17 CO -0.01 0.41 1.39 -1.25 0.02 0.00 0.00 175.30 175.87 2wwk s PRO 18 N -3.06 4.15 0.06 3.54 0.04 -1.06 -4.78 135.00 133.88 2wwk s PRO 18 Ca 0.27 2.37 0.05 0.00 0.04 0.00 0.00 61.00 63.73 2wwk s PRO 18 Cb -0.08 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2wwk s PRO 18 CO 0.16 -0.42 -0.07 1.03 0.04 0.00 0.00 177.00 177.74 2wwk s ARG 19 N -2.03 2.39 0.66 4.56 0.52 -1.26 -4.63 118.95 119.16 2wwk s ARG 19 Ca 0.53 -0.85 -0.17 0.00 -0.52 0.00 0.00 55.73 54.71 2wwk s ARG 19 Cb -0.43 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.59 2wwk s ARG 19 CO 0.57 0.56 1.02 -0.35 0.02 0.00 0.00 175.30 177.11 2wwk n PRO 20 N 1.08 0.76 -3.86 3.54 -0.04 -1.26 -4.77 135.00 130.45 2wwk n PRO 20 Ca -0.14 0.31 -0.12 0.00 -0.04 0.00 0.00 63.50 63.51 2wwk n PRO 20 Cb 0.52 -2.25 -0.13 0.00 -0.04 0.00 0.00 33.50 31.60 2wwk n PRO 20 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wwk s VAL 21 N -1.62 0.00 -0.23 0.52 0.11 -0.81 -4.98 120.40 113.40 2wwk s VAL 21 Ca 0.76 -0.04 -0.00 0.00 -2.93 0.00 0.00 61.98 59.77 2wwk s VAL 21 Cb -0.38 -0.08 0.03 0.00 -1.53 0.00 0.00 36.38 34.42 2wwk s VAL 21 CO 0.47 -0.02 -0.11 -0.60 -3.33 0.00 0.00 175.10 171.51 2wwk s ARG 22 N -0.05 2.83 0.18 1.54 3.52 -1.26 -0.59 118.95 125.13 2wwk s ARG 22 Ca -0.01 -0.96 0.05 0.00 -0.13 0.00 0.00 55.73 54.68 2wwk s ARG 22 Cb -0.01 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.48 2wwk s ARG 22 CO 0.00 -0.36 -0.08 0.14 -0.81 0.00 0.00 175.30 174.20 2wwk s VAL 23 N 1.29 1.22 0.24 7.11 -7.23 -0.24 -4.99 120.40 117.80 2wwk s VAL 23 Ca 0.01 -2.07 -0.27 0.00 -1.81 0.00 0.00 61.98 57.83 2wwk s VAL 23 Cb -0.16 -2.04 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 2wwk s VAL 23 CO -0.07 -0.59 0.89 -0.69 -0.31 0.00 0.00 175.10 174.34 2wwk s VAL 24 N -3.30 4.20 0.14 1.32 1.01 -1.26 -0.25 120.40 122.26 2wwk s VAL 24 Ca 0.21 1.89 -0.34 0.00 0.00 0.00 0.00 61.98 63.74 2wwk s VAL 24 Cb 0.03 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 32.07 2wwk s VAL 24 CO 0.04 0.40 1.29 -0.24 0.00 0.00 0.00 175.10 176.59 2wwk n SER 25 N 1.24 1.72 0.00 3.32 2.88 0.25 -1.36 113.62 121.68 2wwk n SER 25 Ca -0.02 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2wwk n SER 25 Cb 0.48 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2wwk n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wwk n GLY 26 N 2.35 2.81 3.93 0.46 0.00 0.67 -4.97 105.19 110.43 2wwk n GLY 26 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2wwk n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwk s ALA 27 N -2.48 3.49 0.52 4.61 0.00 -0.46 -4.31 121.76 123.13 2wwk s ALA 27 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 50.99 2wwk s ALA 27 Cb 0.00 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 2wwk s ALA 27 CO 0.00 -0.49 1.25 -1.21 0.00 0.00 0.00 175.76 175.31 2wwk s GLU 28 N -4.74 3.34 -0.04 0.00 2.02 -1.24 -0.41 118.70 117.63 2wwk s GLU 28 Ca 0.49 1.96 0.02 0.00 0.02 0.00 0.00 54.97 57.46 2wwk s GLU 28 Cb -0.10 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 31.90 2wwk s GLU 28 CO 0.42 -0.94 -0.08 0.00 0.02 0.00 0.00 175.26 174.68 2wwk s ALA 29 N -1.46 0.88 -0.04 5.21 0.00 -0.59 -4.85 121.76 120.90 2wwk s ALA 29 Ca 0.70 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.42 2wwk s ALA 29 Cb -0.33 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2wwk s ALA 29 CO 0.39 0.09 -0.12 -2.00 0.00 0.00 0.00 175.76 174.13 2wwk s GLU 30 N 0.48 1.34 0.00 0.00 2.12 -1.26 -0.56 118.70 120.82 2wwk s GLU 30 Ca -0.08 -0.42 0.05 0.00 0.36 0.00 0.00 54.97 54.89 2wwk s GLU 30 Cb -0.12 -1.19 -0.03 0.00 0.26 0.00 0.00 34.13 33.05 2wwk s GLU 30 CO 0.01 0.14 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.22 2wwk s LEU 31 N 0.23 2.79 0.04 2.70 1.43 -0.14 -4.92 118.68 120.82 2wwk s LEU 31 Ca -0.05 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2wwk s LEU 31 Cb -0.11 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2wwk s LEU 31 CO 0.01 0.29 -0.09 -0.54 0.23 0.00 0.00 176.35 176.26 2wwk s LYS 32 N -1.20 0.58 0.05 1.70 1.02 -1.26 -0.44 119.74 120.19 2wwk s LYS 32 Ca 0.14 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 2wwk s LYS 32 Cb -0.11 -0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 36.74 2wwk s LYS 32 CO 0.04 0.09 -0.02 0.00 -0.92 0.00 0.00 175.35 174.53 2wwk s VAL 34 N -3.83 0.89 -0.02 0.00 1.01 -0.54 -1.20 120.40 116.70 2wwk s VAL 34 Ca 0.06 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.82 2wwk s VAL 34 Cb 0.07 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2wwk s VAL 34 CO -0.10 0.32 -0.17 0.68 0.00 0.00 0.00 175.10 175.84 2wwk s VAL 35 N 1.26 1.34 0.47 2.92 -7.23 -0.23 -0.68 120.40 118.26 2wwk s VAL 35 Ca -0.04 -0.70 0.05 0.00 -1.81 0.00 0.00 61.98 59.48 2wwk s VAL 35 Cb -0.14 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 2wwk s VAL 35 CO -0.03 0.38 0.19 -0.76 -0.31 0.00 0.00 175.10 174.57 2wwk s LEU 36 N -0.22 2.78 0.00 1.32 1.43 0.10 -4.61 118.68 119.48 2wwk s LEU 36 Ca 0.03 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 2wwk s LEU 36 Cb -0.08 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.98 2wwk s LEU 36 CO 0.00 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.42 2wwk n GLY 37 N -1.37 3.73 2.72 -3.19 0.00 -1.26 -1.39 105.19 104.43 2wwk n GLY 37 Ca -0.06 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 2wwk n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wwk s GLU 38 N -2.51 0.34 0.98 1.61 2.56 -0.57 -3.25 118.70 117.87 2wwk s GLU 38 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 54.97 55.01 2wwk s GLU 38 Cb 0.00 -0.94 0.18 0.00 2.00 0.00 0.00 34.13 35.37 2wwk s GLU 38 CO 0.00 -0.36 1.09 -2.14 -0.56 0.00 0.00 175.26 173.29 2wwk s PRO 39 N 2.04 0.55 -0.01 4.30 0.02 -1.26 -1.11 135.00 139.53 2wwk s PRO 39 Ca 0.04 1.00 -0.37 0.00 0.02 0.00 0.00 61.00 61.70 2wwk s PRO 39 Cb -0.13 -1.71 -0.16 0.00 0.02 0.00 0.00 34.50 32.52 2wwk s PRO 39 CO -0.05 -2.78 1.53 -2.30 -0.33 0.00 0.00 177.00 173.07 2wwk n PRO 40 N -4.28 1.38 -2.02 5.54 -0.02 -1.20 -4.88 135.00 129.52 2wwk n PRO 40 Ca 0.07 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 2wwk n PRO 40 Cb 0.54 -2.19 0.03 0.00 -0.02 0.00 0.00 33.50 31.86 2wwk n PRO 40 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2wwk s PRO 41 N 1.65 2.99 -0.06 0.52 0.02 -1.26 -4.94 135.00 133.92 2wwk s PRO 41 Ca 0.88 1.83 -0.20 0.00 0.02 0.00 0.00 61.00 63.53 2wwk s PRO 41 Cb -0.92 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 31.61 2wwk s PRO 41 CO 0.51 -1.19 0.57 0.08 -0.33 0.00 0.00 177.00 176.64 2wwk s VAL 42 N -1.59 5.06 -0.15 3.83 1.01 -0.37 -4.85 120.40 123.34 2wwk s VAL 42 Ca 0.77 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 2wwk s VAL 42 Cb -0.30 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2wwk s VAL 42 CO 0.33 0.35 -0.10 -0.69 0.00 0.00 0.00 175.10 174.98 2wwk s VAL 43 N 0.34 3.22 0.28 2.92 1.01 -1.26 -0.58 120.40 126.32 2wwk s VAL 43 Ca 0.30 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.76 2wwk s VAL 43 Cb -0.17 -2.38 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 2wwk s VAL 43 CO 0.15 0.50 -0.07 0.68 0.00 0.00 0.00 175.10 176.36 2wwk s VAL 44 N 0.59 1.68 0.01 2.92 -7.23 -0.52 -5.00 120.40 112.86 2wwk s VAL 44 Ca -0.06 -2.14 0.05 0.00 -1.81 0.00 0.00 61.98 58.02 2wwk s VAL 44 Cb -0.15 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 2wwk s VAL 44 CO 0.03 -0.31 -0.15 0.26 -0.31 0.00 0.00 175.10 174.61 2wwk s TRP 45 N -2.99 1.36 0.04 2.82 0.52 -1.26 -1.21 118.94 118.22 2wwk s TRP 45 Ca 0.29 -0.29 0.06 0.00 0.02 0.00 0.00 56.10 56.18 2wwk s TRP 45 Cb 0.03 -0.85 -0.02 0.00 -1.15 0.00 0.00 33.47 31.48 2wwk s TRP 45 CO 0.12 0.00 -0.16 -1.21 0.02 0.00 0.00 176.95 175.72 2wwk s GLU 46 N -0.64 1.10 -0.08 4.98 2.02 0.64 -0.70 118.70 126.02 2wwk s GLU 46 Ca 0.05 -0.80 -0.06 0.00 0.02 0.00 0.00 54.97 54.18 2wwk s GLU 46 Cb -0.07 -1.14 0.03 0.00 0.10 0.00 0.00 34.13 33.05 2wwk s GLU 46 CO 0.00 0.29 0.21 0.21 0.02 0.00 0.00 175.26 175.99 2wwk s LYS 47 N -1.09 0.22 -1.69 1.61 2.20 -0.32 -0.33 119.74 120.33 2wwk s LYS 47 Ca 0.04 0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 56.00 2wwk s LYS 47 Cb -0.08 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 2wwk s LYS 47 CO 0.01 -0.08 0.20 0.41 -0.36 0.00 0.00 175.35 175.53 2wwk n GLY 48 N 3.43 -0.51 1.59 5.54 0.00 -1.26 -2.31 105.19 111.67 2wwk n GLY 48 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2wwk n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwk n GLY 49 N -1.17 0.56 2.87 -0.02 0.00 -1.26 -5.03 105.19 101.13 2wwk n GLY 49 Ca -0.20 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 2wwk n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wwk s GLN 50 N -0.76 0.02 0.16 1.61 0.74 -0.98 -5.13 119.66 115.31 2wwk s GLN 50 Ca 0.00 0.09 -0.31 0.00 0.05 0.00 0.00 55.36 55.19 2wwk s GLN 50 Cb 0.00 -0.06 -0.08 0.00 1.10 0.00 0.00 33.01 33.97 2wwk s GLN 50 CO 0.00 -0.05 1.34 -1.14 -0.55 0.00 0.00 175.29 174.88 2wwk s GLN 51 N 0.33 4.36 0.27 1.67 0.74 -1.26 -1.18 119.66 124.59 2wwk s GLN 51 Ca -0.03 2.05 -0.27 0.00 0.05 0.00 0.00 55.36 57.16 2wwk s GLN 51 Cb -0.04 -3.22 -0.09 0.00 1.10 0.00 0.00 33.01 30.75 2wwk s GLN 51 CO -0.01 -0.33 0.90 -0.51 -0.55 0.00 0.00 175.29 174.79 2wwk s LEU 52 N 0.46 4.47 0.01 3.68 1.43 0.12 -4.93 118.68 123.92 2wwk s LEU 52 Ca 0.60 1.81 0.04 0.00 -1.03 0.00 0.00 54.13 55.55 2wwk s LEU 52 Cb -0.36 -3.76 -0.03 0.00 0.03 0.00 0.00 46.19 42.07 2wwk s LEU 52 CO 0.34 0.05 -0.09 0.00 0.23 0.00 0.00 176.35 176.88 2wwk s ALA 53 N -1.41 2.94 0.41 4.21 0.00 -1.26 -4.76 121.76 121.89 2wwk s ALA 53 Ca 0.45 -1.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 2wwk s ALA 53 Cb -0.21 -1.06 -0.09 0.00 0.00 0.00 0.00 23.12 21.75 2wwk s ALA 53 CO 0.26 0.61 1.44 0.00 0.00 0.00 0.00 175.76 178.07 2wwk s ALA 54 N -0.98 3.39 0.13 0.00 0.00 -1.26 -4.86 121.76 118.18 2wwk s ALA 54 Ca 0.16 1.48 -0.04 0.00 0.00 0.00 0.00 51.96 53.57 2wwk s ALA 54 Cb -0.11 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.44 2wwk s ALA 54 CO 0.07 -1.08 0.24 -1.13 0.00 0.00 0.00 175.76 173.86 2wwk n SER 55 N 0.15 -0.68 0.29 0.00 3.41 0.12 -4.97 113.62 111.94 2wwk n SER 55 Ca 0.03 -1.56 0.17 0.00 -0.26 0.00 0.00 58.87 57.25 2wwk n SER 55 Cb 0.41 1.16 0.87 0.00 -0.26 0.00 0.00 64.21 66.39 2wwk n SER 55 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wwk h GLU 56 N 0.00 0.00 -0.01 4.33 5.08 -2.01 -2.89 114.58 119.08 2wwk h GLU 56 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2wwk h GLU 56 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2wwk h GLU 56 CO 0.14 0.05 -0.46 2.89 -1.00 0.00 0.00 179.01 180.62 2wwk n ARG 57 N -3.36 1.84 -3.65 2.33 1.85 -1.26 -4.83 116.66 109.59 2wwk n ARG 57 Ca -0.02 -0.50 -0.20 0.00 -1.00 0.00 0.00 57.85 56.13 2wwk n ARG 57 Cb 0.20 -1.24 -0.17 0.00 -1.05 0.00 0.00 32.46 30.20 2wwk n ARG 57 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2wwk s LEU 58 N -2.26 0.10 0.33 2.89 2.96 -1.09 -2.46 118.68 119.15 2wwk s LEU 58 Ca 0.10 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.08 2wwk s LEU 58 Cb 0.12 -0.02 -0.07 0.00 0.50 0.00 0.00 46.19 46.73 2wwk s LEU 58 CO 0.47 -0.27 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.28 2wwk s SER 59 N 2.21 3.03 -0.51 3.68 1.04 -0.42 -0.71 113.70 122.02 2wwk s SER 59 Ca 0.04 -1.29 0.06 0.00 0.48 0.00 0.00 55.95 55.25 2wwk s SER 59 Cb -0.13 -0.22 0.23 0.00 0.10 0.00 0.00 66.02 66.00 2wwk s SER 59 CO -0.05 -0.42 0.55 0.49 0.98 0.00 0.00 173.24 174.79 2wwk n PHE 60 N -0.73 1.22 -2.02 5.02 3.72 -1.26 -0.69 117.46 122.73 2wwk n PHE 60 Ca -0.04 -3.79 -0.40 0.00 -0.05 0.00 0.00 57.45 53.16 2wwk n PHE 60 Cb 0.65 -0.34 -0.01 0.00 -0.94 0.00 0.00 39.48 38.84 2wwk n PHE 60 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2wwk s PRO 61 N -1.39 4.18 0.00 -1.08 0.04 -1.22 -4.73 135.00 130.80 2wwk s PRO 61 Ca 0.35 2.29 -0.04 0.00 0.04 0.00 0.00 61.00 63.64 2wwk s PRO 61 Cb 0.11 -2.96 -0.01 0.00 0.04 0.00 0.00 34.50 31.69 2wwk s PRO 61 CO -0.10 -0.36 0.06 0.00 0.04 0.00 0.00 177.00 176.64 2wwk s ALA 62 N -1.17 -0.13 -0.34 8.56 0.00 -1.26 0.21 121.76 127.62 2wwk s ALA 62 Ca 0.52 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.23 2wwk s ALA 62 Cb -0.41 0.09 0.15 0.00 0.00 0.00 0.00 23.12 22.95 2wwk s ALA 62 CO 0.54 -0.17 0.33 0.34 0.00 0.00 0.00 175.76 176.81 2wwk s ASP 63 N -1.21 1.58 1.83 0.00 2.15 0.75 -5.00 116.67 116.78 2wwk s ASP 63 Ca -0.13 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 51.43 2wwk s ASP 63 Cb -0.08 0.41 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 2wwk s ASP 63 CO 0.00 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 2wwk n GLY 64 N 4.55 4.11 0.14 2.66 0.00 -1.26 -1.71 105.19 113.68 2wwk n GLY 64 Ca 0.07 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.35 2wwk n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwk h ALA 65 N -0.92 1.00 -2.76 4.61 0.00 -1.97 -3.43 119.26 115.80 2wwk h ALA 65 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2wwk h ALA 65 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2wwk h ALA 65 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 179.25 178.04 2wwk s GLU 66 N -3.33 4.34 -0.03 0.00 2.02 -0.70 -1.06 118.70 119.94 2wwk s GLU 66 Ca 0.05 0.64 0.01 0.00 0.02 0.00 0.00 54.97 55.68 2wwk s GLU 66 Cb 0.10 -3.47 0.02 0.00 0.10 0.00 0.00 34.13 30.87 2wwk s GLU 66 CO 0.44 0.03 -0.03 -1.01 0.02 0.00 0.00 175.26 174.71 2wwk s HIS 67 N 0.99 0.56 0.35 1.61 3.76 -0.34 -0.18 115.29 122.04 2wwk s HIS 67 Ca 0.31 -0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.14 2wwk s HIS 67 Cb -0.16 -0.53 -0.06 0.00 1.11 0.00 0.00 32.58 32.94 2wwk s HIS 67 CO 0.13 -0.15 0.07 0.20 -0.85 0.00 0.00 174.74 174.14 2wwk s GLY 68 N 0.84 2.20 -0.07 -2.22 0.00 0.13 -0.62 107.32 107.58 2wwk s GLY 68 Ca -0.10 -1.88 0.02 0.00 0.00 0.00 0.00 44.72 42.76 2wwk s GLY 68 CO -0.00 -1.84 -0.12 -2.27 0.00 0.00 0.00 173.10 168.87 2wwk s LEU 69 N -3.53 1.58 -0.15 0.66 0.20 0.41 -3.41 118.68 114.45 2wwk s LEU 69 Ca 0.33 -0.30 -0.01 0.00 0.69 0.00 0.00 54.13 54.85 2wwk s LEU 69 Cb 0.08 -0.83 0.04 0.00 -0.43 0.00 0.00 46.19 45.05 2wwk s LEU 69 CO 0.15 0.01 -0.04 -0.22 -0.29 0.00 0.00 176.35 175.96 2wwk s LEU 70 N 0.81 1.42 -0.24 -0.68 2.96 0.14 -0.96 118.68 122.12 2wwk s LEU 70 Ca -0.12 -0.58 -0.17 0.00 -0.22 0.00 0.00 54.13 53.04 2wwk s LEU 70 Cb -0.15 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 2wwk s LEU 70 CO 0.02 -0.19 0.48 -0.76 -1.32 0.00 0.00 176.35 174.58 2wwk s LEU 71 N 1.70 4.08 0.22 -0.68 1.43 0.28 -1.30 118.68 124.41 2wwk s LEU 71 Ca 0.01 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2wwk s LEU 71 Cb -0.15 -2.61 0.22 0.00 0.03 0.00 0.00 46.19 43.68 2wwk s LEU 71 CO -0.07 -0.22 1.56 0.71 0.23 0.00 0.00 176.35 178.55 2wwk h THR 72 N 5.30 1.34 -1.83 5.49 1.35 -1.78 -1.56 112.91 121.22 2wwk h THR 72 Ca -0.31 -1.81 -0.27 0.00 -0.55 0.00 0.00 66.41 63.47 2wwk h THR 72 Cb 1.15 1.83 -0.30 0.00 -1.73 0.00 0.00 68.15 69.10 2wwk h THR 72 CO 0.71 0.55 -0.60 0.00 -0.25 0.00 0.00 175.52 175.92 2wwk s ALA 73 N -3.95 -0.87 0.17 6.62 0.00 -1.26 -3.68 121.76 118.79 2wwk s ALA 73 Ca -0.06 -0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.28 2wwk s ALA 73 Cb 0.12 -2.07 -0.10 0.00 0.00 0.00 0.00 23.12 21.08 2wwk s ALA 73 CO 0.81 -1.92 1.51 0.00 0.00 0.00 0.00 175.76 176.16 2wwk s ALA 74 N 2.06 3.71 0.29 0.00 0.00 0.45 -4.70 121.76 123.57 2wwk s ALA 74 Ca 0.13 1.31 0.07 0.00 0.00 0.00 0.00 51.96 53.47 2wwk s ALA 74 Cb -0.13 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 2wwk s ALA 74 CO -0.20 -0.74 0.23 -0.51 0.00 0.00 0.00 175.76 174.55 2wwk s LEU 75 N 0.85 3.69 0.49 0.00 1.43 -1.26 -0.24 118.68 123.64 2wwk s LEU 75 Ca 0.67 -0.38 0.22 0.00 -1.03 0.00 0.00 54.13 53.61 2wwk s LEU 75 Cb -0.42 -2.26 1.27 0.00 0.03 0.00 0.00 46.19 44.81 2wwk s LEU 75 CO 0.33 -0.18 1.96 -0.65 0.23 0.00 0.00 176.35 178.05 2wwk h PRO 76 N 1.40 0.15 0.00 1.29 0.11 -1.96 -0.45 132.00 132.54 2wwk h PRO 76 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wwk h PRO 76 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wwk h PRO 76 CO 0.60 0.10 0.00 0.25 -0.21 0.00 0.00 178.00 178.74 2wwk n THR 77 N -4.41 0.52 0.76 -1.15 -2.24 -1.26 -1.97 114.28 104.52 2wwk n THR 77 Ca 0.12 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 2wwk n THR 77 Cb 0.59 -0.76 0.47 0.00 -2.10 0.00 0.00 70.33 68.52 2wwk n THR 77 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wwk n ASP 78 N -1.57 0.53 -4.76 3.42 8.00 -0.18 -4.91 116.55 117.08 2wwk n ASP 78 Ca 0.05 0.52 -0.38 0.00 0.71 0.00 0.00 54.79 55.69 2wwk n ASP 78 Cb 0.26 -0.64 0.02 0.00 -0.02 0.00 0.00 41.12 40.74 2wwk n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wwk s ALA 79 N -3.07 2.85 0.00 2.24 0.00 -0.83 -4.87 121.76 118.08 2wwk s ALA 79 Ca 0.12 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2wwk s ALA 79 Cb 0.15 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2wwk s ALA 79 CO 0.58 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2wwk n GLY 80 N 0.61 0.97 3.68 0.00 0.00 -0.06 -4.97 105.19 105.42 2wwk n GLY 80 Ca 0.09 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 2wwk n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wwk s VAL 81 N -1.99 5.10 -0.09 1.61 1.01 -1.26 -0.68 120.40 124.10 2wwk s VAL 81 Ca 0.00 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 2wwk s VAL 81 Cb 0.00 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2wwk s VAL 81 CO 0.00 0.20 -0.05 -0.31 0.00 0.00 0.00 175.10 174.93 2wwk s TYR 82 N 1.43 2.99 -0.11 5.22 1.51 -0.09 -4.38 117.35 123.92 2wwk s TYR 82 Ca 0.27 -0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 2wwk s TYR 82 Cb -0.16 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 2wwk s TYR 82 CO 0.10 0.24 -0.18 0.08 -1.11 0.00 0.00 175.55 174.68 2wwk s VAL 83 N -0.49 2.58 -0.26 0.71 1.01 0.55 -1.07 120.40 123.43 2wwk s VAL 83 Ca 0.08 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 2wwk s VAL 83 Cb -0.12 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2wwk s VAL 83 CO 0.02 0.54 0.17 0.00 0.00 0.00 0.00 175.10 175.84 2wwk s ARG 85 N 1.50 2.54 -0.12 0.00 3.52 -0.35 -1.75 118.95 124.30 2wwk s ARG 85 Ca 0.07 -0.90 -0.01 0.00 -0.13 0.00 0.00 55.73 54.76 2wwk s ARG 85 Cb -0.15 -2.54 -0.02 0.00 -1.56 0.00 0.00 34.95 30.68 2wwk s ARG 85 CO 0.08 -0.33 -0.07 0.00 -0.81 0.00 0.00 175.30 174.17 2wwk s ALA 86 N 1.30 2.89 -0.00 6.12 0.00 0.36 -1.43 121.76 130.99 2wwk s ALA 86 Ca 0.01 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2wwk s ALA 86 Cb -0.15 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2wwk s ALA 86 CO -0.10 0.35 -0.01 0.50 0.00 0.00 0.00 175.76 176.49 2wwk s ARG 87 N -0.05 0.14 0.30 0.00 3.52 0.25 -0.68 118.95 122.43 2wwk s ARG 87 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 2wwk s ARG 87 Cb -0.13 -0.16 -0.00 0.00 -1.56 0.00 0.00 34.95 33.09 2wwk s ARG 87 CO 0.03 0.02 0.37 0.27 -0.81 0.00 0.00 175.30 175.18 2wwk n ASN 88 N 3.16 -1.02 -0.22 -2.12 0.23 -0.67 -1.23 115.26 113.39 2wwk n ASN 88 Ca -0.14 -2.68 0.22 0.00 -0.53 0.00 0.00 54.58 51.46 2wwk n ASN 88 Cb 0.58 1.98 0.58 0.00 -2.08 0.00 0.00 39.78 40.85 2wwk n ASN 88 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wwk h ALA 89 N 1.93 2.41 0.00 -2.53 0.00 -1.92 -2.66 119.26 116.51 2wwk h ALA 89 Ca -0.22 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2wwk h ALA 89 Cb 1.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2wwk h ALA 89 CO 0.31 -0.70 -0.79 0.00 0.00 0.00 0.00 179.25 178.06 2wwk h ALA 90 N 1.60 0.53 0.00 0.00 0.00 -1.87 -3.50 119.26 116.02 2wwk h ALA 90 Ca 0.46 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wwk h ALA 90 Cb 1.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2wwk h ALA 90 CO -0.13 0.94 0.00 0.41 0.00 0.00 0.00 179.25 180.47 2wwk n GLY 91 N 1.30 -1.31 3.06 0.00 0.00 -1.00 -4.73 105.19 102.51 2wwk n GLY 91 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 2wwk n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wwk s GLU 92 N -0.79 0.53 0.01 1.61 2.02 -1.26 -1.66 118.70 119.16 2wwk s GLU 92 Ca 0.00 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.26 2wwk s GLU 92 Cb 0.00 -0.29 -0.01 0.00 0.10 0.00 0.00 34.13 33.92 2wwk s GLU 92 CO 0.00 0.05 -0.12 0.00 0.02 0.00 0.00 175.26 175.21 2wwk s ALA 93 N -1.41 1.03 -0.01 5.21 0.00 0.14 -4.80 121.76 121.93 2wwk s ALA 93 Ca -0.10 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.25 2wwk s ALA 93 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2wwk s ALA 93 CO 0.00 0.22 -0.14 0.71 0.00 0.00 0.00 175.76 176.56 2wwk s TYR 94 N -0.57 1.22 -0.09 0.00 2.02 -1.26 -0.49 117.35 118.18 2wwk s TYR 94 Ca 0.03 -0.23 -0.17 0.00 -0.37 0.00 0.00 57.07 56.33 2wwk s TYR 94 Cb -0.06 -0.78 0.04 0.00 -0.40 0.00 0.00 41.96 40.75 2wwk s TYR 94 CO 0.00 -0.02 0.41 0.00 -1.57 0.00 0.00 175.55 174.37 2wwk s ALA 95 N -0.32 -1.03 0.24 3.71 0.00 -0.72 -5.00 121.76 118.64 2wwk s ALA 95 Ca 0.05 0.88 0.08 0.00 0.00 0.00 0.00 51.96 52.97 2wwk s ALA 95 Cb -0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 2wwk s ALA 95 CO -0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 175.76 175.39 2wwk s ALA 96 N -0.53 2.26 -0.10 0.00 0.00 -1.26 -0.10 121.76 122.02 2wwk s ALA 96 Ca -0.06 -1.78 -0.22 0.00 0.00 0.00 0.00 51.96 49.89 2wwk s ALA 96 Cb -0.04 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.11 2wwk s ALA 96 CO 0.03 0.05 0.53 0.00 0.00 0.00 0.00 175.76 176.37 2wwk s ALA 97 N -2.91 -1.34 -0.17 0.00 0.00 -0.23 -4.78 121.76 112.33 2wwk s ALA 97 Ca 0.26 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 53.27 2wwk s ALA 97 Cb 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2wwk s ALA 97 CO 0.10 -0.30 0.18 0.00 0.00 0.00 0.00 175.76 175.74 2wwk s ALA 98 N -0.62 3.71 -0.22 0.00 0.00 -1.26 -0.91 121.76 122.46 2wwk s ALA 98 Ca -0.07 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 2wwk s ALA 98 Cb -0.03 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 2wwk s ALA 98 CO 0.05 0.26 0.11 0.08 0.00 0.00 0.00 175.76 176.26 2wwk s VAL 99 N 0.01 5.01 -0.12 0.00 1.01 0.15 -1.93 120.40 124.53 2wwk s VAL 99 Ca 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 2wwk s VAL 99 Cb -0.12 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2wwk s VAL 99 CO 0.01 0.38 -0.01 -0.89 0.00 0.00 0.00 175.10 174.59 2wwk s THR 100 N 0.90 4.16 -0.14 3.92 2.01 0.24 -0.88 115.64 125.85 2wwk s THR 100 Ca 0.06 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2wwk s THR 100 Cb -0.13 -2.79 0.02 0.00 0.01 0.00 0.00 72.50 69.61 2wwk s THR 100 CO 0.03 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.67 2wwk s VAL 101 N -0.30 1.60 -0.23 3.82 1.01 -1.26 -1.08 120.40 123.96 2wwk s VAL 101 Ca 0.06 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 2wwk s VAL 101 Cb -0.12 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 2wwk s VAL 101 CO 0.02 0.46 0.19 -0.76 0.00 0.00 0.00 175.10 175.01 2wwk s LEU 102 N 1.38 4.14 0.09 3.92 1.43 0.66 -4.83 118.68 125.47 2wwk s LEU 102 Ca 0.03 0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.16 2wwk s LEU 102 Cb -0.13 -2.16 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 2wwk s LEU 102 CO -0.09 0.07 0.53 -1.61 0.23 0.00 0.00 176.35 175.47 2wwk s GLU 103 N 0.96 4.05 0.58 1.70 2.02 -1.26 -0.58 118.70 126.16 2wwk s GLU 103 Ca 0.09 0.57 -0.21 0.00 0.02 0.00 0.00 54.97 55.44 2wwk s GLU 103 Cb -0.13 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 2wwk s GLU 103 CO 0.04 0.59 1.35 -2.14 0.02 0.00 0.00 175.26 175.11 2wwk s PRO 104 N -1.44 2.95 0.99 0.39 0.02 -1.26 -4.98 135.00 131.67 2wwk s PRO 104 Ca 0.31 2.20 -0.11 0.00 0.02 0.00 0.00 61.00 63.42 2wwk s PRO 104 Cb -0.17 -2.13 0.19 0.00 0.02 0.00 0.00 34.50 32.40 2wwk s PRO 104 CO 0.18 -1.33 1.10 -2.14 -0.33 0.00 0.00 177.00 174.49 2wwk s PRO 105 N -3.05 0.46 0.00 5.54 0.02 -1.26 -5.18 135.00 131.53 2wwk s PRO 105 Ca 0.75 1.28 0.00 0.00 0.02 0.00 0.00 61.00 63.05 2wwk s PRO 105 Cb -0.40 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2wwk s PRO 105 CO 0.46 -2.92 0.00 0.00 -0.33 0.00 0.00 177.00 174.20