#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk s ILE 4 N 0.00 3.69 -0.09 -0.18 1.09 -1.22 -4.39 121.20 120.10 2wrk s ILE 4 Ca 0.00 -0.95 0.00 0.00 -1.10 0.00 0.00 60.65 58.60 2wrk s ILE 4 Cb 0.00 -2.68 0.02 0.00 -1.06 0.00 0.00 42.46 38.74 2wrk s ILE 4 CO 0.00 0.25 -0.07 -0.60 -0.10 0.00 0.00 174.94 174.43 2wrk s ARG 5 N -1.85 1.31 -0.09 2.79 3.52 0.14 -2.55 118.95 122.22 2wrk s ARG 5 Ca 0.20 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 2wrk s ARG 5 Cb -0.11 -1.36 -0.03 0.00 -1.56 0.00 0.00 34.95 31.89 2wrk s ARG 5 CO 0.12 -0.21 -0.09 0.96 -0.81 0.00 0.00 175.30 175.27 2wrk s ILE 6 N 1.50 3.45 -0.24 4.11 -5.25 -0.70 -1.33 121.20 122.74 2wrk s ILE 6 Ca 0.00 -0.55 -0.07 0.00 -0.99 0.00 0.00 60.65 59.03 2wrk s ILE 6 Cb -0.13 -2.42 -0.03 0.00 2.95 0.00 0.00 42.46 42.83 2wrk s ILE 6 CO -0.05 0.57 0.07 -0.54 -1.79 0.00 0.00 174.94 173.20 2wrk s LYS 7 N -0.39 3.68 -0.25 0.37 -0.14 -0.23 -2.87 119.74 119.90 2wrk s LYS 7 Ca 0.05 -0.47 -0.03 0.00 -1.36 0.00 0.00 55.97 54.16 2wrk s LYS 7 Cb -0.12 -3.31 0.02 0.00 -1.68 0.00 0.00 37.83 32.73 2wrk s LYS 7 CO 0.02 -0.15 -0.02 -0.51 -0.76 0.00 0.00 175.35 173.93 2wrk s LEU 8 N 1.52 3.29 0.22 3.17 1.43 -0.45 0.44 118.68 128.30 2wrk s LEU 8 Ca 0.06 -0.74 0.06 0.00 -1.03 0.00 0.00 54.13 52.48 2wrk s LEU 8 Cb -0.15 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2wrk s LEU 8 CO 0.04 -0.12 -0.08 -0.13 0.23 0.00 0.00 176.35 176.29 2wrk s ARG 9 N 1.40 1.34 0.00 1.70 0.52 0.72 -1.50 118.95 123.12 2wrk s ARG 9 Ca 0.02 -1.64 0.00 0.00 -0.52 0.00 0.00 55.73 53.59 2wrk s ARG 9 Cb -0.16 -0.90 0.00 0.00 0.52 0.00 0.00 34.95 34.41 2wrk s ARG 9 CO -0.03 0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.76 2wrk n GLY 10 N -0.41 -0.33 0.13 -3.53 0.00 -1.05 -1.69 105.19 98.32 2wrk n GLY 10 Ca -0.07 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 2wrk n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wrk n PHE 11 N -0.74 0.21 -2.68 1.61 0.99 -1.26 -0.42 117.46 115.17 2wrk n PHE 11 Ca 0.00 0.06 -0.43 0.00 -0.00 0.00 0.00 57.45 57.08 2wrk n PHE 11 Cb 0.00 -1.03 -0.02 0.00 -1.00 0.00 0.00 39.48 37.43 2wrk n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2wrk s ASP 12 N -6.82 6.83 0.00 4.37 3.68 -1.26 -4.65 116.67 118.82 2wrk s ASP 12 Ca -0.34 0.86 0.25 0.00 2.13 0.00 0.00 52.55 55.44 2wrk s ASP 12 Cb 0.10 -2.52 1.26 0.00 -1.45 0.00 0.00 42.92 40.31 2wrk s ASP 12 CO 0.60 -0.92 1.82 0.00 0.13 0.00 0.00 175.17 176.80 2wrk n HIS 13 N 6.96 0.00 -0.03 -5.34 1.44 -1.26 -1.81 115.22 115.18 2wrk n HIS 13 Ca 0.11 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.61 2wrk n HIS 13 Cb 0.48 -0.26 -0.13 0.00 0.12 0.00 0.00 29.99 30.19 2wrk n HIS 13 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2wrk n LYS 14 N -1.26 0.73 0.08 -1.40 4.81 -1.26 -2.82 118.16 117.04 2wrk n LYS 14 Ca 0.12 0.26 -0.06 0.00 -0.87 0.00 0.00 58.31 57.76 2wrk n LYS 14 Cb 0.19 -1.67 -0.06 0.00 0.02 0.00 0.00 35.03 33.50 2wrk n LYS 14 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2wrk h THR 15 N -0.03 1.65 0.00 3.15 1.35 -1.98 -2.00 112.91 115.05 2wrk h THR 15 Ca -0.45 -3.11 -0.09 0.00 -0.55 0.00 0.00 66.41 62.20 2wrk h THR 15 Cb 1.96 2.69 -0.01 0.00 -1.73 0.00 0.00 68.15 71.06 2wrk h THR 15 CO 0.03 0.89 -0.44 0.25 -0.25 0.00 0.00 175.52 176.00 2wrk h LEU 16 N 0.01 0.00 -0.17 3.87 7.12 -1.53 -2.29 115.31 122.31 2wrk h LEU 16 Ca -0.02 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.91 2wrk h LEU 16 Cb 1.63 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.76 2wrk h LEU 16 CO 0.12 0.44 -0.23 -0.78 -0.13 0.00 0.00 178.44 177.86 2wrk h ASP 17 N 0.00 0.50 0.07 1.25 3.58 -1.34 -3.34 116.42 117.14 2wrk h ASP 17 Ca -0.00 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 56.93 2wrk h ASP 17 Cb 1.12 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2wrk h ASP 17 CO 0.06 0.91 -0.03 0.00 -2.88 0.00 0.00 179.24 177.30 2wrk h ALA 18 N 0.60 -0.70 0.00 -0.78 0.00 -1.23 -2.85 119.26 114.30 2wrk h ALA 18 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wrk h ALA 18 Cb 0.80 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wrk h ALA 18 CO 0.05 -0.69 0.00 -1.13 0.00 0.00 0.00 179.25 177.48 2wrk n SER 19 N -2.34 0.00 0.03 0.00 3.41 -0.88 -0.59 113.62 113.27 2wrk n SER 19 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2wrk n SER 19 Cb 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2wrk n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wrk n ALA 20 N 0.82 3.00 0.66 7.33 0.00 -1.22 -4.36 120.51 126.74 2wrk n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrk n ALA 20 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2wrk n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wrk n GLN 21 N -3.05 0.60 -0.04 0.00 7.27 0.25 -1.27 117.38 121.13 2wrk n GLN 21 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 2wrk n GLN 21 Cb 0.18 -1.26 -0.03 0.00 2.41 0.00 0.00 30.24 31.54 2wrk n GLN 21 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2wrk n LYS 22 N 0.12 0.17 -0.08 3.69 0.00 -0.74 -4.45 118.16 116.88 2wrk n LYS 22 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.37 2wrk n LYS 22 Cb 0.13 -0.90 0.00 0.00 0.00 0.00 0.00 35.03 34.26 2wrk n LYS 22 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2wrk n ILE 23 N -3.12 1.05 0.07 3.15 5.41 -0.40 -3.02 119.36 122.50 2wrk n ILE 23 Ca -0.14 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.53 2wrk n ILE 23 Cb 0.62 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 2wrk n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2wrk n VAL 24 N 0.72 0.38 0.26 1.39 0.31 -1.23 -4.44 118.33 115.73 2wrk n VAL 24 Ca 0.00 0.13 0.15 0.00 -0.01 0.00 0.00 64.34 64.60 2wrk n VAL 24 Cb 0.45 -0.82 0.80 0.00 -0.91 0.00 0.00 33.84 33.36 2wrk n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2wrk h GLU 25 N 0.00 0.00 -0.23 5.55 5.08 -1.78 1.95 114.58 125.14 2wrk h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wrk h GLU 25 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wrk h GLU 25 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2wrk n ALA 26 N -1.86 2.44 0.00 3.43 0.00 -1.17 -4.05 120.51 119.30 2wrk n ALA 26 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2wrk n ALA 26 Cb 0.19 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2wrk n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrk n ALA 27 N 1.45 1.98 0.31 0.00 0.00 0.57 -4.51 120.51 120.31 2wrk n ALA 27 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 2wrk n ALA 27 Cb 0.61 0.27 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 2wrk n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrk h ARG 28 N 0.00 -0.79 -0.86 0.00 3.08 0.11 -3.16 114.38 112.76 2wrk h ARG 28 Ca 0.00 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.18 2wrk h ARG 28 Cb 0.98 0.18 -0.06 0.00 0.08 0.00 0.00 29.97 31.16 2wrk h ARG 28 CO 0.00 -0.53 0.56 -0.09 -1.07 0.00 0.00 179.97 178.84 2wrk h ARG 29 N -1.08 0.90 -0.42 0.04 2.43 -1.79 -1.48 114.38 112.98 2wrk h ARG 29 Ca -0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2wrk h ARG 29 Cb 0.63 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2wrk h ARG 29 CO 0.14 0.59 0.00 -1.13 -1.51 0.00 0.00 179.97 178.06 2wrk n SER 30 N -4.50 0.42 0.00 -3.80 3.41 -1.20 -4.91 113.62 103.04 2wrk n SER 30 Ca 0.13 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 2wrk n SER 30 Cb 0.24 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2wrk n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrk n GLY 31 N 0.27 0.52 1.13 5.00 0.00 -0.56 -3.33 105.19 108.23 2wrk n GLY 31 Ca 0.00 -2.20 -0.19 0.00 0.00 0.00 0.00 46.02 43.63 2wrk n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrk n ALA 32 N -1.00 -1.54 -0.70 4.61 0.00 -1.26 -4.52 120.51 116.10 2wrk n ALA 32 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 2wrk n ALA 32 Cb 0.00 -0.56 0.07 0.00 0.00 0.00 0.00 19.45 18.95 2wrk n ALA 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wrk n GLN 33 N 0.47 -0.93 -3.75 0.00 6.02 -1.26 -4.59 117.38 113.34 2wrk n GLN 33 Ca 0.06 -0.27 -0.13 0.00 -0.01 0.00 0.00 57.00 56.65 2wrk n GLN 33 Cb 0.03 -1.21 -0.13 0.00 1.02 0.00 0.00 30.24 29.95 2wrk n GLN 33 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wrk s VAL 34 N -2.04 -0.03 -0.17 5.09 1.01 -1.26 -1.89 120.40 121.11 2wrk s VAL 34 Ca 0.22 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 2wrk s VAL 34 Cb -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 36.04 2wrk s VAL 34 CO 0.26 0.05 1.06 -0.94 0.00 0.00 0.00 175.10 175.54 2wrk s SER 35 N 0.97 7.13 0.25 3.32 1.04 -0.10 -4.96 113.70 121.35 2wrk s SER 35 Ca -0.07 1.49 -0.08 0.00 0.48 0.00 0.00 55.95 57.78 2wrk s SER 35 Cb -0.09 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.42 2wrk s SER 35 CO -0.06 -0.60 -0.10 0.61 0.98 0.00 0.00 173.24 174.08 2wrk n GLY 36 N 3.28 -1.47 3.64 7.32 0.00 -1.26 -3.87 105.19 112.82 2wrk n GLY 36 Ca 0.11 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2wrk n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wrk s PRO 37 N -0.49 3.79 -0.21 1.61 0.02 -1.26 -4.74 135.00 133.72 2wrk s PRO 37 Ca 0.23 2.26 -0.15 0.00 0.02 0.00 0.00 61.00 63.36 2wrk s PRO 37 Cb -0.19 -4.19 -0.04 0.00 0.02 0.00 0.00 34.50 30.10 2wrk s PRO 37 CO 0.29 -1.34 0.38 0.96 -0.33 0.00 0.00 177.00 176.96 2wrk s ILE 38 N 5.68 5.21 -0.33 2.83 -4.36 0.51 -4.85 121.20 125.88 2wrk s ILE 38 Ca 0.88 0.65 -0.19 0.00 -0.26 0.00 0.00 60.65 61.74 2wrk s ILE 38 Cb -0.36 -3.71 -0.01 0.00 1.25 0.00 0.00 42.46 39.63 2wrk s ILE 38 CO 0.37 0.26 0.55 -2.16 0.24 0.00 0.00 174.94 174.19 2wrk s PRO 39 N 1.31 3.73 0.42 0.37 0.04 -1.26 0.11 135.00 139.72 2wrk s PRO 39 Ca 0.18 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.22 2wrk s PRO 39 Cb -0.15 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.61 2wrk s PRO 39 CO 0.08 -0.61 0.64 -0.51 0.04 0.00 0.00 177.00 176.63 2wrk s LEU 40 N 2.47 3.74 0.42 -3.56 1.43 -1.14 -4.98 118.68 117.07 2wrk s LEU 40 Ca 0.21 0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 53.42 2wrk s LEU 40 Cb -0.15 -3.21 -0.13 0.00 0.03 0.00 0.00 46.19 42.73 2wrk s LEU 40 CO 0.13 -0.59 0.40 -0.81 0.23 0.00 0.00 176.35 175.71 2wrk n PRO 41 N -2.00 0.38 -3.67 1.29 -0.04 -1.26 -4.35 135.00 125.35 2wrk n PRO 41 Ca -0.00 0.14 -0.37 0.00 -0.04 0.00 0.00 63.50 63.23 2wrk n PRO 41 Cb 0.57 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 2wrk n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2wrk s THR 42 N -1.54 5.23 -0.69 0.52 2.01 -1.26 -4.59 115.64 115.32 2wrk s THR 42 Ca 0.62 0.51 -0.23 0.00 0.31 0.00 0.00 61.69 62.91 2wrk s THR 42 Cb -0.61 -3.58 0.07 0.00 0.01 0.00 0.00 72.50 68.38 2wrk s THR 42 CO 0.59 0.54 1.01 -0.13 -0.69 0.00 0.00 174.62 175.95 2wrk s ARG 43 N -1.22 3.15 -0.19 4.92 1.81 -1.04 -4.92 118.95 121.46 2wrk s ARG 43 Ca 0.22 -0.82 -0.25 0.00 -1.72 0.00 0.00 55.73 53.17 2wrk s ARG 43 Cb -0.14 -4.27 -0.01 0.00 -0.45 0.00 0.00 34.95 30.07 2wrk s ARG 43 CO 0.11 -1.86 0.81 0.08 -0.68 0.00 0.00 175.30 173.76 2wrk s VAL 44 N 4.19 4.88 -0.22 3.52 1.01 -1.26 -1.65 120.40 130.87 2wrk s VAL 44 Ca 0.24 1.56 0.01 0.00 0.00 0.00 0.00 61.98 63.79 2wrk s VAL 44 Cb -0.15 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.15 2wrk s VAL 44 CO 0.09 0.01 -0.13 -0.60 0.00 0.00 0.00 175.10 174.47 2wrk s ARG 45 N 2.33 2.80 0.18 2.72 3.52 -1.06 -4.98 118.95 124.47 2wrk s ARG 45 Ca 0.36 -0.98 0.04 0.00 -0.13 0.00 0.00 55.73 55.03 2wrk s ARG 45 Cb -0.16 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 2wrk s ARG 45 CO 0.11 -0.34 0.24 1.03 -0.81 0.00 0.00 175.30 175.53 2wrk s ARG 46 N 1.27 3.20 -0.20 5.12 0.52 -1.26 0.30 118.95 127.89 2wrk s ARG 46 Ca 0.01 -0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 54.41 2wrk s ARG 46 Cb -0.16 -2.80 0.06 0.00 0.52 0.00 0.00 34.95 32.58 2wrk s ARG 46 CO -0.08 0.48 0.04 -0.06 0.02 0.00 0.00 175.30 175.69 2wrk s PHE 47 N -1.84 1.11 -0.24 -0.53 0.40 0.47 -4.96 117.98 112.38 2wrk s PHE 47 Ca 0.33 -0.94 -0.12 0.00 -0.60 0.00 0.00 56.93 55.60 2wrk s PHE 47 Cb -0.10 -1.08 -0.05 0.00 0.51 0.00 0.00 43.02 42.30 2wrk s PHE 47 CO 0.27 -0.64 0.23 0.99 0.70 0.00 0.00 175.22 176.77 2wrk s THR 48 N 1.83 5.30 0.05 0.64 2.01 -1.26 -1.93 115.64 122.28 2wrk s THR 48 Ca -0.00 0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.31 2wrk s THR 48 Cb -0.17 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2wrk s THR 48 CO -0.09 0.29 -0.04 0.54 -0.69 0.00 0.00 174.62 174.63 2wrk s VAL 49 N 1.36 0.26 -0.12 3.82 0.11 -1.26 -5.00 120.40 119.58 2wrk s VAL 49 Ca 0.10 -1.59 -0.23 0.00 -2.93 0.00 0.00 61.98 57.33 2wrk s VAL 49 Cb -0.14 -1.22 -0.03 0.00 -1.53 0.00 0.00 36.38 33.46 2wrk s VAL 49 CO 0.07 -0.85 0.71 0.27 -3.33 0.00 0.00 175.10 171.97 2wrk s ILE 50 N -3.23 5.00 0.08 7.04 -0.00 -1.26 -2.29 121.20 126.55 2wrk s ILE 50 Ca 0.02 1.42 -0.16 0.00 -0.00 0.00 0.00 60.65 61.92 2wrk s ILE 50 Cb 0.03 -4.04 -0.04 0.00 -0.00 0.00 0.00 42.46 38.42 2wrk s ILE 50 CO -0.07 0.17 1.19 0.54 -0.00 0.00 0.00 174.94 176.77 2wrk n ARG 51 N 4.42 -0.23 -2.26 0.37 5.12 -1.21 -4.73 116.66 118.15 2wrk n ARG 51 Ca -0.00 1.18 -0.25 0.00 -1.93 0.00 0.00 57.85 56.85 2wrk n ARG 51 Cb 0.50 -1.74 0.06 0.00 -1.16 0.00 0.00 32.46 30.13 2wrk n ARG 51 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2wrk s GLY 52 N -1.89 1.71 -0.01 -0.13 0.00 -1.26 -5.03 107.32 100.70 2wrk s GLY 52 Ca -0.06 -0.98 -0.20 0.00 0.00 0.00 0.00 44.72 43.47 2wrk s GLY 52 CO 0.32 -0.60 0.97 -0.56 0.00 0.00 0.00 173.10 173.24 2wrk h PRO 53 N -0.50 0.39 -5.40 2.90 0.13 -2.01 -3.45 132.00 124.05 2wrk h PRO 53 Ca -0.44 -0.60 -0.62 0.00 -0.87 0.00 0.00 66.00 63.47 2wrk h PRO 53 Cb 1.31 0.21 -0.10 0.00 0.13 0.00 0.00 31.00 32.55 2wrk h PRO 53 CO 0.59 1.26 -0.48 0.12 -0.23 0.00 0.00 178.00 179.27 2wrk s PHE 54 N -2.66 3.47 0.00 1.56 5.36 -1.26 -4.98 117.98 119.47 2wrk s PHE 54 Ca -0.12 0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 2wrk s PHE 54 Cb 0.02 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 2wrk s PHE 54 CO 0.86 0.43 0.00 1.63 -1.46 0.00 0.00 175.22 176.68 2wrk n LYS 55 N 3.03 0.00 0.00 10.12 4.01 -1.26 -4.86 118.16 129.20 2wrk n LYS 55 Ca -0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 2wrk n LYS 55 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.05 2wrk n LYS 55 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2wrk n HIS 56 N 0.00 0.00 0.09 2.13 8.25 -1.26 -5.04 115.22 119.39 2wrk n HIS 56 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wrk n HIS 56 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wrk n HIS 56 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2wrk n LYS 57 N 0.00 0.01 0.00 -0.41 3.00 -1.26 -4.22 118.16 115.27 2wrk n LYS 57 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 2wrk n LYS 57 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.35 2wrk n LYS 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2wrk n ASP 58 N -1.22 0.14 -0.75 3.14 8.00 -1.26 -4.90 116.55 119.70 2wrk n ASP 58 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2wrk n ASP 58 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2wrk n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2wrk n SER 59 N 0.00 -1.46 0.00 -2.24 2.88 -1.26 -4.66 113.62 106.89 2wrk n SER 59 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2wrk n SER 59 Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2wrk n SER 59 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wrk n ARG 60 N 1.09 3.49 0.00 -1.46 1.74 -1.26 -3.31 116.66 116.95 2wrk n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wrk n ARG 60 Cb 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 2wrk n ARG 60 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2wrk n GLU 61 N 0.00 0.00 -4.29 5.56 2.13 -0.97 -4.48 120.64 118.59 2wrk n GLU 61 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2wrk n GLU 61 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 2wrk n GLU 61 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2wrk s HIS 62 N 0.00 2.73 0.15 4.31 -3.43 -1.26 -3.99 115.29 113.80 2wrk s HIS 62 Ca 0.00 -0.16 -0.01 0.00 -0.80 0.00 0.00 55.06 54.09 2wrk s HIS 62 Cb 0.00 -1.45 -0.04 0.00 -1.43 0.00 0.00 32.58 29.66 2wrk s HIS 62 CO 0.00 0.40 0.08 -0.59 -2.00 0.00 0.00 174.74 172.64 2wrk s PHE 63 N -1.17 0.90 0.00 0.38 -0.00 -0.81 -4.96 117.98 112.32 2wrk s PHE 63 Ca 0.20 -1.25 0.00 0.00 -0.00 0.00 0.00 56.93 55.89 2wrk s PHE 63 Cb -0.11 -0.48 0.00 0.00 -0.00 0.00 0.00 43.02 42.43 2wrk s PHE 63 CO 0.12 -0.55 0.00 -0.85 -0.00 0.00 0.00 175.22 173.94 2wrk n GLU 64 N -0.14 2.43 -3.28 1.99 0.28 -1.26 -0.40 120.64 120.26 2wrk n GLU 64 Ca -0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.88 2wrk n GLU 64 Cb 0.64 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.46 2wrk n GLU 64 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2wrk s LEU 65 N 0.00 -0.82 0.01 -1.84 2.96 0.15 -4.94 118.68 114.20 2wrk s LEU 65 Ca 0.00 -0.84 -0.25 0.00 -0.22 0.00 0.00 54.13 52.82 2wrk s LEU 65 Cb 0.00 1.23 -0.05 0.00 0.50 0.00 0.00 46.19 47.88 2wrk s LEU 65 CO 0.00 -0.27 0.76 -0.13 -1.32 0.00 0.00 176.35 175.39 2wrk s ARG 66 N 2.01 4.48 -0.60 1.98 0.52 -1.26 -2.55 118.95 123.53 2wrk s ARG 66 Ca 0.14 1.04 -0.07 0.00 -0.52 0.00 0.00 55.73 56.31 2wrk s ARG 66 Cb -0.11 -3.39 0.16 0.00 0.52 0.00 0.00 34.95 32.12 2wrk s ARG 66 CO -0.15 0.19 0.46 0.99 0.02 0.00 0.00 175.30 176.82 2wrk s THR 67 N 0.27 4.27 0.43 0.02 2.01 -0.66 -4.36 115.64 117.63 2wrk s THR 67 Ca 0.39 -2.39 -0.23 0.00 0.31 0.00 0.00 61.69 59.77 2wrk s THR 67 Cb -0.20 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 2wrk s THR 67 CO 0.22 -0.86 1.12 -1.00 -0.69 0.00 0.00 174.62 173.40 2wrk s HIS 68 N 0.56 3.04 0.04 4.92 0.09 0.44 -2.49 115.29 121.88 2wrk s HIS 68 Ca 0.13 1.58 0.06 0.00 -0.00 0.00 0.00 55.06 56.83 2wrk s HIS 68 Cb -0.20 -3.27 -0.02 0.00 -0.00 0.00 0.00 32.58 29.08 2wrk s HIS 68 CO -0.04 -1.14 -0.19 -0.80 -0.00 0.00 0.00 174.74 172.58 2wrk s ASN 69 N -1.45 2.21 -0.22 1.40 0.01 -1.26 -2.53 114.94 113.10 2wrk s ASN 69 Ca 0.61 -0.49 -0.11 0.00 -0.71 0.00 0.00 52.86 52.16 2wrk s ASN 69 Cb -0.26 -0.18 0.08 0.00 0.41 0.00 0.00 41.25 41.30 2wrk s ASN 69 CO 0.32 0.13 0.53 -0.13 -1.51 0.00 0.00 177.10 176.43 2wrk s ARG 70 N -1.11 0.51 0.13 -0.60 0.52 -0.56 -2.87 118.95 114.97 2wrk s ARG 70 Ca 0.06 1.04 0.10 0.00 -0.52 0.00 0.00 55.73 56.40 2wrk s ARG 70 Cb -0.08 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 2wrk s ARG 70 CO 0.01 -0.17 -0.19 -1.17 0.02 0.00 0.00 175.30 173.80 2wrk s LEU 71 N 1.78 2.63 -0.13 2.53 2.96 0.31 -1.34 118.68 127.42 2wrk s LEU 71 Ca -0.08 -0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 53.10 2wrk s LEU 71 Cb -0.08 -1.46 0.04 0.00 0.50 0.00 0.00 46.19 45.19 2wrk s LEU 71 CO -0.16 0.17 0.33 -0.69 -1.32 0.00 0.00 176.35 174.68 2wrk s VAL 72 N -1.23 -0.01 0.03 1.68 1.01 -1.14 0.19 120.40 120.94 2wrk s VAL 72 Ca 0.18 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.29 2wrk s VAL 72 Cb -0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2wrk s VAL 72 CO 0.10 0.01 -0.26 -1.81 0.00 0.00 0.00 175.10 173.14 2wrk s ASP 73 N 0.52 3.19 -0.38 3.32 1.01 -1.25 -1.71 116.67 121.36 2wrk s ASP 73 Ca -0.03 -0.56 -0.05 0.00 0.71 0.00 0.00 52.55 52.62 2wrk s ASP 73 Cb -0.04 -0.32 0.08 0.00 1.01 0.00 0.00 42.92 43.65 2wrk s ASP 73 CO -0.03 0.27 0.16 0.27 0.21 0.00 0.00 175.17 176.05 2wrk s ILE 74 N -0.78 3.53 0.00 0.77 -4.36 -1.06 -0.92 121.20 118.38 2wrk s ILE 74 Ca 0.12 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 2wrk s ILE 74 Cb -0.10 -3.21 0.00 0.00 1.25 0.00 0.00 42.46 40.40 2wrk s ILE 74 CO 0.02 -0.45 0.37 2.30 0.24 0.00 0.00 174.94 177.41 2wrk n ILE 75 N 4.71 0.00 -4.49 8.37 -5.35 -0.79 0.93 119.36 122.74 2wrk n ILE 75 Ca -0.08 0.67 -0.34 0.00 -0.27 0.00 0.00 62.75 62.74 2wrk n ILE 75 Cb 0.43 -0.98 -0.14 0.00 -1.74 0.00 0.00 39.64 37.21 2wrk n ILE 75 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2wrk s ASN 76 N -2.07 4.28 -0.37 7.28 2.47 -1.26 0.19 114.94 125.47 2wrk s ASN 76 Ca 0.00 -0.29 -0.27 0.00 0.42 0.00 0.00 52.86 52.72 2wrk s ASN 76 Cb 0.00 -1.68 -0.05 0.00 -1.45 0.00 0.00 41.25 38.07 2wrk s ASN 76 CO 0.00 0.13 2.18 -2.16 -3.72 0.00 0.00 177.10 173.53 2wrk s PRO 77 N 0.58 2.76 0.31 0.43 0.04 -1.26 -4.28 135.00 133.58 2wrk s PRO 77 Ca -0.06 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.63 2wrk s PRO 77 Cb -0.15 -4.42 -0.02 0.00 0.04 0.00 0.00 34.50 29.95 2wrk s PRO 77 CO 0.03 -2.53 0.42 -0.80 0.04 0.00 0.00 177.00 174.16 2wrk s ASN 78 N 9.27 6.00 -0.09 6.66 0.01 -1.26 -5.02 114.94 130.51 2wrk s ASN 78 Ca 0.93 -0.15 0.07 0.00 -0.71 0.00 0.00 52.86 53.01 2wrk s ASN 78 Cb -0.24 -1.37 -0.24 0.00 0.41 0.00 0.00 41.25 39.81 2wrk s ASN 78 CO 0.30 -0.33 0.48 0.54 -1.51 0.00 0.00 177.10 176.58 2wrk n ARG 79 N -1.55 0.68 0.20 -0.60 5.12 -1.26 -3.23 116.66 116.02 2wrk n ARG 79 Ca -0.03 0.25 0.14 0.00 -1.93 0.00 0.00 57.85 56.29 2wrk n ARG 79 Cb 0.58 -1.73 0.71 0.00 -1.16 0.00 0.00 32.46 30.86 2wrk n ARG 79 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2wrk h LYS 80 N 0.02 0.00 0.00 5.56 3.64 -1.98 -1.10 116.57 122.72 2wrk h LYS 80 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2wrk h LYS 80 Cb 2.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 2wrk h LYS 80 CO 0.07 0.00 -0.07 1.79 -2.27 0.00 0.00 179.45 178.97 2wrk h THR 81 N 0.00 0.00 0.00 1.00 1.35 -1.63 -3.15 112.91 110.48 2wrk h THR 81 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2wrk h THR 81 Cb 0.12 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.54 2wrk h THR 81 CO 0.00 0.00 0.57 0.40 -0.25 0.00 0.00 175.52 176.24 2wrk h ILE 82 N -0.40 0.00 0.00 6.82 1.08 -1.48 -2.29 117.51 121.24 2wrk h ILE 82 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2wrk h ILE 82 Cb 0.07 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2wrk h ILE 82 CO 0.00 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 178.67 2wrk n GLU 83 N -2.73 0.00 0.00 2.37 2.13 -0.43 -3.32 120.64 118.66 2wrk n GLU 83 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2wrk n GLU 83 Cb 0.60 -0.15 0.00 0.00 0.27 0.00 0.00 31.44 32.16 2wrk n GLU 83 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2wrk n GLN 84 N 0.00 0.00 -0.21 5.31 6.02 -0.97 -0.65 117.38 126.88 2wrk n GLN 84 Ca 0.00 0.24 0.27 0.00 -0.01 0.00 0.00 57.00 57.50 2wrk n GLN 84 Cb 0.00 -0.59 0.41 0.00 1.02 0.00 0.00 30.24 31.08 2wrk n GLN 84 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wrk n LEU 85 N -0.59 0.00 0.16 1.08 4.77 -0.90 0.55 117.00 122.07 2wrk n LEU 85 Ca 0.00 0.71 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 2wrk n LEU 85 Cb 0.00 -0.25 0.44 0.00 -2.33 0.00 0.00 43.42 41.28 2wrk n LEU 85 CO 0.00 -0.71 0.88 -0.03 -1.33 0.00 0.00 177.39 176.21 2wrk h MET 86 N 0.00 0.00 0.00 3.23 4.05 -0.88 -3.34 114.93 118.00 2wrk h MET 86 Ca 0.47 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.78 2wrk h MET 86 Cb 2.73 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 33.33 2wrk h MET 86 CO -0.00 0.00 -0.64 0.25 0.23 0.00 0.00 176.91 176.75 2wrk n THR 87 N -2.56 0.00 -2.64 -0.77 -2.24 0.19 -4.90 114.28 101.36 2wrk n THR 87 Ca 0.03 -0.45 -0.33 0.00 -2.27 0.00 0.00 64.05 61.04 2wrk n THR 87 Cb 0.37 0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 69.26 2wrk n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2wrk n LEU 88 N 0.22 5.82 -4.71 3.22 7.94 -0.74 -5.04 117.00 123.72 2wrk n LEU 88 Ca -0.04 -5.41 -0.40 0.00 -1.11 0.00 0.00 56.01 49.05 2wrk n LEU 88 Cb 0.88 -0.80 -0.05 0.00 0.53 0.00 0.00 43.42 43.98 2wrk n LEU 88 CO -0.05 2.17 0.38 -1.81 -1.11 0.00 0.00 177.39 176.96 2wrk s ASP 89 N -2.51 6.90 -0.28 1.96 1.01 -1.26 -4.91 116.67 117.58 2wrk s ASP 89 Ca 0.46 1.09 0.21 0.00 0.71 0.00 0.00 52.55 55.01 2wrk s ASP 89 Cb 0.29 -2.39 0.49 0.00 1.01 0.00 0.00 42.92 42.32 2wrk s ASP 89 CO -0.18 -0.14 1.15 -0.11 0.21 0.00 0.00 175.17 176.10 2wrk n LEU 90 N 4.04 1.09 -4.33 1.23 7.94 -1.26 -5.07 117.00 120.64 2wrk n LEU 90 Ca -0.02 -3.13 -0.44 0.00 -1.11 0.00 0.00 56.01 51.31 2wrk n LEU 90 Cb 0.51 0.41 -0.07 0.00 0.53 0.00 0.00 43.42 44.80 2wrk n LEU 90 CO 0.46 1.20 0.04 -2.16 -1.11 0.00 0.00 177.39 175.82 2wrk s PRO 91 N -3.14 2.89 0.06 1.96 0.04 -1.26 -4.90 135.00 130.64 2wrk s PRO 91 Ca 0.25 -1.50 -0.27 0.00 0.04 0.00 0.00 61.00 59.51 2wrk s PRO 91 Cb 0.35 -4.12 -0.14 0.00 0.04 0.00 0.00 34.50 30.64 2wrk s PRO 91 CO -0.04 -1.12 1.42 0.00 0.04 0.00 0.00 177.00 177.29 2wrk h THR 92 N 5.87 0.00 -0.92 1.26 1.03 -1.97 -3.35 112.91 114.83 2wrk h THR 92 Ca -0.28 0.00 -0.38 0.00 -0.01 0.00 0.00 66.41 65.74 2wrk h THR 92 Cb 1.10 0.00 -0.41 0.00 -1.07 0.00 0.00 68.15 67.77 2wrk h THR 92 CO 0.91 0.00 -1.07 0.61 -0.01 0.00 0.00 175.52 175.95 2wrk n GLY 93 N -1.45 2.69 3.53 2.99 0.00 -1.26 -5.08 105.19 106.61 2wrk n GLY 93 Ca -0.10 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 2wrk n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrk s VAL 94 N -3.80 2.56 -0.02 1.61 1.01 -1.26 -4.61 120.40 115.89 2wrk s VAL 94 Ca 0.32 -2.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.05 2wrk s VAL 94 Cb 0.41 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 34.30 2wrk s VAL 94 CO -0.02 -0.33 0.05 -0.70 0.00 0.00 0.00 175.10 174.11 2wrk s GLU 95 N -3.58 0.01 0.14 2.72 2.56 -0.68 -4.92 118.70 114.95 2wrk s GLU 95 Ca 0.31 0.17 0.10 0.00 0.00 0.00 0.00 54.97 55.55 2wrk s GLU 95 Cb -0.03 -0.15 -0.04 0.00 2.00 0.00 0.00 34.13 35.91 2wrk s GLU 95 CO 0.16 -0.12 -0.23 0.96 -0.56 0.00 0.00 175.26 175.47 2wrk s ILE 96 N 0.75 2.04 0.07 -3.70 -0.00 -1.24 -0.20 121.20 118.93 2wrk s ILE 96 Ca -0.06 -1.75 0.08 0.00 -0.00 0.00 0.00 60.65 58.91 2wrk s ILE 96 Cb -0.09 -1.86 -0.03 0.00 -0.00 0.00 0.00 42.46 40.49 2wrk s ILE 96 CO -0.03 -0.04 -0.21 -1.61 -0.00 0.00 0.00 174.94 173.06 2wrk s GLU 97 N -2.20 1.24 -0.15 0.37 0.41 0.17 -4.89 118.70 113.65 2wrk s GLU 97 Ca 0.13 -1.05 0.00 0.00 -0.41 0.00 0.00 54.97 53.64 2wrk s GLU 97 Cb -0.09 -1.44 -0.00 0.00 -1.78 0.00 0.00 34.13 30.82 2wrk s GLU 97 CO 0.06 0.35 -0.15 -1.50 -0.49 0.00 0.00 175.26 173.53 2wrk s ILE 98 N -0.99 2.67 0.01 -1.63 1.10 -1.26 -1.07 121.20 120.03 2wrk s ILE 98 Ca 0.07 -0.77 -0.13 0.00 -0.51 0.00 0.00 60.65 59.31 2wrk s ILE 98 Cb -0.09 -2.12 0.02 0.00 0.15 0.00 0.00 42.46 40.41 2wrk s ILE 98 CO 0.03 0.52 0.27 -0.54 -2.11 0.00 0.00 174.94 173.10 2wrk s LYS 99 N 0.78 0.68 -0.43 3.50 -0.14 -0.44 -5.03 119.74 118.66 2wrk s LYS 99 Ca -0.06 -0.36 0.05 0.00 -1.36 0.00 0.00 55.97 54.24 2wrk s LYS 99 Cb -0.15 0.29 0.17 0.00 -1.68 0.00 0.00 37.83 36.46 2wrk s LYS 99 CO 0.00 -0.19 0.40 2.41 -0.76 0.00 0.00 175.35 177.22 2wrk n THR 100 N 1.05 -1.03 0.00 2.17 -1.04 -1.26 0.27 114.28 114.44 2wrk n THR 100 Ca -0.21 -3.05 0.00 0.00 -2.04 0.00 0.00 64.05 58.75 2wrk n THR 100 Cb 0.57 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 2wrk n THR 100 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95