#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnd s HIS 1 N 0.00 3.00 0.77 1.61 4.02 -1.26 -5.07 115.29 118.37 2pnd s HIS 1 Ca 0.00 -0.02 -0.12 0.00 1.02 0.00 0.00 55.06 55.93 2pnd s HIS 1 Cb 0.00 -2.45 0.06 0.00 -1.02 0.00 0.00 32.58 29.18 2pnd s HIS 1 CO 0.00 -0.52 1.13 -2.14 1.02 0.00 0.00 174.74 174.23 2pnd s PRO 2 N -4.55 2.05 -0.20 8.40 0.02 -1.26 -5.02 135.00 134.44 2pnd s PRO 2 Ca 0.52 1.42 -0.02 0.00 0.02 0.00 0.00 61.00 62.94 2pnd s PRO 2 Cb -0.10 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 2pnd s PRO 2 CO 0.36 -1.84 -0.08 0.99 -0.33 0.00 0.00 177.00 176.10 2pnd s THR 3 N -2.55 3.11 -0.14 0.99 2.01 -1.26 -5.00 115.64 112.80 2pnd s THR 3 Ca 0.66 -0.59 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 2pnd s THR 3 Cb -0.21 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 2pnd s THR 3 CO 0.51 0.46 0.80 -0.76 -0.69 0.00 0.00 174.62 174.95 2pnd s LEU 4 N 1.23 4.22 -0.24 4.42 1.43 -1.26 -4.32 118.68 124.16 2pnd s LEU 4 Ca 0.03 1.19 -0.07 0.00 -1.03 0.00 0.00 54.13 54.25 2pnd s LEU 4 Cb -0.14 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 2pnd s LEU 4 CO -0.03 -0.32 0.06 -0.54 0.23 0.00 0.00 176.35 175.75 2pnd s LYS 5 N 1.77 3.68 0.03 1.70 1.02 0.44 -4.94 119.74 123.43 2pnd s LYS 5 Ca 0.38 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.84 2pnd s LYS 5 Cb -0.17 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2pnd s LYS 5 CO 0.15 -0.12 0.11 0.95 -0.92 0.00 0.00 175.35 175.51 2pnd s THR 6 N 1.43 0.11 0.70 2.17 -4.23 -1.26 -1.84 115.64 112.72 2pnd s THR 6 Ca 0.05 -0.93 -0.12 0.00 -1.18 0.00 0.00 61.69 59.51 2pnd s THR 6 Cb -0.15 -0.70 0.02 0.00 1.34 0.00 0.00 72.50 73.00 2pnd s THR 6 CO 0.03 -0.51 1.08 -2.16 -0.54 0.00 0.00 174.62 172.52 2pnd s PRO 7 N -2.13 2.75 0.10 3.99 0.04 -1.26 -4.97 135.00 133.52 2pnd s PRO 7 Ca -0.09 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 2pnd s PRO 7 Cb -0.04 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 2pnd s PRO 7 CO -0.02 -1.26 1.36 1.49 0.04 0.00 0.00 177.00 178.61 2pnd h GLU 8 N -0.53 0.74 -3.58 4.56 4.81 -1.95 -3.43 114.58 115.20 2pnd h GLU 8 Ca -0.45 -0.49 -0.08 0.00 -0.13 0.00 0.00 59.36 58.21 2pnd h GLU 8 Cb 1.22 0.06 -0.15 0.00 0.63 0.00 0.00 28.75 30.52 2pnd h GLU 8 CO 0.55 1.11 -0.28 -1.54 -0.73 0.00 0.00 179.01 178.12 2pnd s SER 9 N -6.79 -0.02 0.00 1.04 1.04 -1.26 -1.93 113.70 105.78 2pnd s SER 9 Ca -0.12 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 55.87 2pnd s SER 9 Cb 0.08 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 2pnd s SER 9 CO 0.86 -0.72 -0.03 -0.69 0.98 0.00 0.00 173.24 173.65 2pnd s VAL 10 N -3.44 0.21 -0.17 5.02 1.01 0.10 -4.93 120.40 118.20 2pnd s VAL 10 Ca 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2pnd s VAL 10 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 2pnd s VAL 10 CO -0.09 -0.03 -0.09 -0.89 0.00 0.00 0.00 175.10 174.00 2pnd s THR 11 N -0.29 3.23 0.30 3.92 2.01 -1.26 -1.04 115.64 122.52 2pnd s THR 11 Ca -0.02 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 61.50 2pnd s THR 11 Cb -0.02 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 2pnd s THR 11 CO -0.00 0.48 0.10 -0.83 -0.69 0.00 0.00 174.62 173.68 2pnd s GLY 12 N 0.82 1.76 -0.07 4.40 0.00 -0.13 -4.97 107.32 109.12 2pnd s GLY 12 Ca -0.03 -1.70 -0.19 0.00 0.00 0.00 0.00 44.72 42.80 2pnd s GLY 12 CO 0.01 -1.70 0.54 -1.59 0.00 0.00 0.00 173.10 170.37 2pnd s THR 13 N -2.34 5.09 -0.02 0.90 2.01 -1.26 -0.66 115.64 119.35 2pnd s THR 13 Ca 0.35 1.10 -0.36 0.00 0.31 0.00 0.00 61.69 63.09 2pnd s THR 13 Cb -0.05 -3.88 -0.15 0.00 0.01 0.00 0.00 72.50 68.44 2pnd s THR 13 CO 0.22 0.35 1.61 1.87 -0.69 0.00 0.00 174.62 177.98 2pnd n TRP 14 N 3.35 1.99 -0.81 4.92 -0.00 -0.04 -0.61 117.44 126.24 2pnd n TRP 14 Ca -0.06 0.39 0.00 0.00 -0.00 0.00 0.00 57.50 57.83 2pnd n TRP 14 Cb 0.51 -2.48 0.00 0.00 -0.00 0.00 0.00 31.31 29.34 2pnd n TRP 14 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2pnd n LYS 15 N 4.26 -0.17 -0.20 5.87 5.02 0.66 -4.88 118.16 128.73 2pnd n LYS 15 Ca 0.21 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2pnd n LYS 15 Cb 0.22 -3.51 0.00 0.00 -0.02 0.00 0.00 35.03 31.72 2pnd n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pnd n GLY 16 N -1.85 0.92 3.39 0.72 0.00 0.22 -4.35 105.19 104.24 2pnd n GLY 16 Ca 0.00 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 2pnd n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pnd s ASP 17 N -1.00 3.35 0.02 1.61 1.01 -1.26 -0.64 116.67 119.76 2pnd s ASP 17 Ca 0.00 -0.73 -0.03 0.00 0.71 0.00 0.00 52.55 52.50 2pnd s ASP 17 Cb 0.00 -0.25 -0.01 0.00 1.01 0.00 0.00 42.92 43.67 2pnd s ASP 17 CO 0.00 0.19 0.04 0.54 0.21 0.00 0.00 175.17 176.15 2pnd s VAL 18 N -1.05 0.11 -0.11 -1.27 0.11 -0.51 -4.68 120.40 113.00 2pnd s VAL 18 Ca 0.14 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 2pnd s VAL 18 Cb -0.10 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2pnd s VAL 18 CO 0.06 -0.48 -0.18 -0.75 -3.33 0.00 0.00 175.10 170.42 2pnd s LYS 19 N -1.62 3.19 -0.43 1.54 2.20 -1.26 -0.86 119.74 122.50 2pnd s LYS 19 Ca -0.14 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 54.58 2pnd s LYS 19 Cb -0.08 -2.48 0.07 0.00 -1.51 0.00 0.00 37.83 33.83 2pnd s LYS 19 CO -0.01 0.23 0.30 0.42 -0.36 0.00 0.00 175.35 175.93 2pnd s ILE 20 N 0.27 4.70 0.28 5.43 1.01 0.95 -4.98 121.20 128.88 2pnd s ILE 20 Ca -0.13 -1.15 -0.29 0.00 0.00 0.00 0.00 60.65 59.08 2pnd s ILE 20 Cb -0.16 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.41 2pnd s ILE 20 CO 0.07 -0.48 1.31 -1.58 0.00 0.00 0.00 174.94 174.26 2pnd s GLN 21 N 1.54 4.37 -0.23 2.79 0.74 -1.26 -1.42 119.66 126.19 2pnd s GLN 21 Ca 0.03 2.16 -0.03 0.00 0.05 0.00 0.00 55.36 57.57 2pnd s GLN 21 Cb -0.23 -3.12 0.12 0.00 1.10 0.00 0.00 33.01 30.89 2pnd s GLN 21 CO 0.05 -0.21 0.31 0.00 -0.55 0.00 0.00 175.29 174.90 2pnd s ILE 23 N 2.45 0.73 0.09 0.00 -4.36 -0.77 -1.13 121.20 118.22 2pnd s ILE 23 Ca 0.10 -0.64 0.02 0.00 -0.26 0.00 0.00 60.65 59.88 2pnd s ILE 23 Cb -0.15 -0.66 -0.04 0.00 1.25 0.00 0.00 42.46 42.86 2pnd s ILE 23 CO -0.15 0.03 -0.08 -0.72 0.24 0.00 0.00 174.94 174.26 2pnd s TYR 24 N -0.57 0.91 -0.31 1.37 -0.85 0.24 -0.42 117.35 117.72 2pnd s TYR 24 Ca 0.00 -0.79 -0.23 0.00 -0.52 0.00 0.00 57.07 55.53 2pnd s TYR 24 Cb -0.06 -0.52 -0.00 0.00 0.38 0.00 0.00 41.96 41.77 2pnd s TYR 24 CO 0.00 -0.09 0.76 0.34 -1.52 0.00 0.00 175.55 175.04 2pnd s ASP 25 N -2.71 6.64 0.31 -0.18 2.15 -1.26 -4.34 116.67 117.27 2pnd s ASP 25 Ca 0.08 0.63 -0.30 0.00 0.43 0.00 0.00 52.55 53.39 2pnd s ASP 25 Cb 0.01 -2.40 -0.11 0.00 -0.30 0.00 0.00 42.92 40.12 2pnd s ASP 25 CO -0.03 -0.59 1.56 -2.84 -0.17 0.00 0.00 175.17 173.11 2pnd s PRO 26 N 2.90 4.13 0.05 4.34 0.02 -1.26 -4.80 135.00 140.37 2pnd s PRO 26 Ca 0.31 2.56 -0.09 0.00 0.02 0.00 0.00 61.00 63.80 2pnd s PRO 26 Cb -0.14 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.31 2pnd s PRO 26 CO 0.12 -0.60 0.36 -0.51 -0.33 0.00 0.00 177.00 176.04 2pnd s LEU 27 N -0.80 4.37 0.11 -5.54 1.43 -1.26 -5.02 118.68 111.97 2pnd s LEU 27 Ca 0.61 0.74 -0.31 0.00 -1.03 0.00 0.00 54.13 54.14 2pnd s LEU 27 Cb -0.47 -2.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 2pnd s LEU 27 CO 0.51 0.22 1.66 -0.60 0.23 0.00 0.00 176.35 178.36 2pnd s ARG 28 N -1.76 4.19 0.00 1.70 3.52 -1.26 -1.79 118.95 123.54 2pnd s ARG 28 Ca 0.30 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 2pnd s ARG 28 Cb -0.14 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 2pnd s ARG 28 CO 0.17 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.36 2pnd n GLY 29 N 3.96 0.83 3.77 8.12 0.00 -1.26 -4.87 105.19 115.74 2pnd n GLY 29 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2pnd n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pnd s TYR 30 N -3.24 3.65 -0.21 1.61 1.51 -0.74 -3.51 117.35 116.42 2pnd s TYR 30 Ca 0.00 1.06 -0.03 0.00 -1.01 0.00 0.00 57.07 57.09 2pnd s TYR 30 Cb 0.00 -2.50 -0.00 0.00 -0.11 0.00 0.00 41.96 39.34 2pnd s TYR 30 CO 0.00 0.39 -0.07 0.50 -1.11 0.00 0.00 175.55 175.26 2pnd s ARG 31 N -0.24 3.32 0.01 -0.62 3.52 -0.34 -4.85 118.95 119.75 2pnd s ARG 31 Ca 0.27 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 2pnd s ARG 31 Cb -0.17 -2.93 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 2pnd s ARG 31 CO 0.14 -0.19 1.34 -1.14 -0.81 0.00 0.00 175.30 174.64 2pnd s GLN 32 N 1.42 4.31 -0.01 5.12 0.74 -1.26 -0.63 119.66 129.35 2pnd s GLN 32 Ca 0.05 1.90 0.06 0.00 0.05 0.00 0.00 55.36 57.41 2pnd s GLN 32 Cb -0.14 -3.52 -0.08 0.00 1.10 0.00 0.00 33.01 30.37 2pnd s GLN 32 CO -0.05 -0.50 0.16 1.33 -0.55 0.00 0.00 175.29 175.68 2pnd n VAL 33 N 4.51 0.00 -3.61 1.34 0.24 0.28 -4.93 118.33 116.16 2pnd n VAL 33 Ca 0.12 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.34 62.06 2pnd n VAL 33 Cb 0.44 0.58 -0.07 0.00 -1.47 0.00 0.00 33.84 33.32 2pnd n VAL 33 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2pnd s LEU 34 N -3.01 -0.55 -0.04 1.34 2.96 -1.17 -4.59 118.68 113.62 2pnd s LEU 34 Ca -0.01 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.04 2pnd s LEU 34 Cb 0.04 2.34 0.01 0.00 0.50 0.00 0.00 46.19 49.08 2pnd s LEU 34 CO 0.23 -0.36 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.13 2pnd s VAL 35 N -0.19 0.77 0.03 1.68 1.01 -0.62 -1.42 120.40 121.67 2pnd s VAL 35 Ca -0.04 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.68 2pnd s VAL 35 Cb -0.03 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 2pnd s VAL 35 CO 0.04 0.26 -0.15 -0.54 0.00 0.00 0.00 175.10 174.71 2pnd s LYS 36 N 0.52 1.03 -0.08 2.72 1.02 0.06 -0.58 119.74 124.43 2pnd s LYS 36 Ca -0.08 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.23 2pnd s LYS 36 Cb -0.12 -1.04 -0.02 0.00 -0.52 0.00 0.00 37.83 36.13 2pnd s LYS 36 CO 0.01 0.27 -0.15 -1.58 -0.92 0.00 0.00 175.35 172.97 2pnd s TRP 37 N -0.69 2.70 0.16 3.18 0.52 -0.46 -0.82 118.94 123.53 2pnd s TRP 37 Ca 0.03 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 55.79 2pnd s TRP 37 Cb -0.07 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 2pnd s TRP 37 CO 0.01 -0.02 -0.14 -0.51 0.02 0.00 0.00 176.95 176.31 2pnd s LEU 38 N -0.24 2.50 0.25 2.99 1.02 0.29 -0.58 118.68 124.91 2pnd s LEU 38 Ca 0.01 -0.94 0.04 0.00 0.02 0.00 0.00 54.13 53.26 2pnd s LEU 38 Cb -0.13 -0.58 -0.05 0.00 0.02 0.00 0.00 46.19 45.45 2pnd s LEU 38 CO 0.03 -0.19 -0.01 0.68 0.02 0.00 0.00 176.35 176.88 2pnd s VAL 39 N -2.73 1.22 0.21 -1.59 -7.23 -0.36 -0.66 120.40 109.26 2pnd s VAL 39 Ca 0.17 -2.06 -0.27 0.00 -1.81 0.00 0.00 61.98 58.01 2pnd s VAL 39 Cb -0.02 -2.42 -0.08 0.00 0.56 0.00 0.00 36.38 34.42 2pnd s VAL 39 CO 0.04 -0.29 0.84 -0.13 -0.31 0.00 0.00 175.10 175.25 2pnd s ARG 40 N -3.83 4.65 -0.43 4.82 0.52 -1.21 -0.92 118.95 122.55 2pnd s ARG 40 Ca 0.29 1.27 0.03 0.00 -0.52 0.00 0.00 55.73 56.80 2pnd s ARG 40 Cb 0.05 -3.21 0.16 0.00 0.52 0.00 0.00 34.95 32.47 2pnd s ARG 40 CO 0.10 0.52 0.30 -1.58 0.02 0.00 0.00 175.30 174.67 2pnd s HIS 41 N -1.22 1.33 -0.74 -0.53 2.46 0.24 -4.89 115.29 111.94 2pnd s HIS 41 Ca 0.39 -2.23 -0.01 0.00 0.47 0.00 0.00 55.06 53.68 2pnd s HIS 41 Cb -0.23 -1.21 0.00 0.00 -0.13 0.00 0.00 32.58 31.01 2pnd s HIS 41 CO 0.28 -0.80 0.68 0.41 -2.47 0.00 0.00 174.74 172.85 2pnd n GLY 42 N 3.19 -1.24 4.96 1.59 0.00 -1.26 -3.58 105.19 108.84 2pnd n GLY 42 Ca 0.21 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2pnd n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pnd n SER 43 N -1.80 0.00 -4.84 1.61 2.88 -1.26 -4.95 113.62 105.26 2pnd n SER 43 Ca -0.03 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.17 2pnd n SER 43 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 2pnd n SER 43 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2pnd s ASP 44 N 0.00 6.87 0.58 -3.46 -0.00 -1.24 -5.05 116.67 114.38 2pnd s ASP 44 Ca 0.00 1.28 -0.08 0.00 -0.00 0.00 0.00 52.55 53.75 2pnd s ASP 44 Cb 0.00 -2.37 -0.02 0.00 -0.00 0.00 0.00 42.92 40.53 2pnd s ASP 44 CO 0.00 -0.07 0.93 -0.94 -0.00 0.00 0.00 175.17 175.09 2pnd s SER 45 N -1.98 6.01 -0.05 0.27 1.04 -1.26 -0.60 113.70 117.14 2pnd s SER 45 Ca 0.47 1.07 -0.03 0.00 0.48 0.00 0.00 55.95 57.94 2pnd s SER 45 Cb -0.13 -2.17 0.02 0.00 0.10 0.00 0.00 66.02 63.84 2pnd s SER 45 CO 0.19 -0.87 0.12 0.54 0.98 0.00 0.00 173.24 174.20 2pnd s VAL 46 N -3.01 -0.02 0.05 5.02 0.11 -0.10 -4.82 120.40 117.63 2pnd s VAL 46 Ca 0.52 0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 59.33 2pnd s VAL 46 Cb -0.11 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 2pnd s VAL 46 CO 0.49 0.02 1.17 -0.89 -3.33 0.00 0.00 175.10 172.56 2pnd s THR 47 N 0.39 4.16 -0.17 5.04 2.01 -1.26 -1.22 115.64 124.60 2pnd s THR 47 Ca -0.03 1.55 0.14 0.00 0.31 0.00 0.00 61.69 63.66 2pnd s THR 47 Cb -0.04 -3.99 -0.20 0.00 0.01 0.00 0.00 72.50 68.28 2pnd s THR 47 CO -0.02 0.12 0.37 2.30 -0.69 0.00 0.00 174.62 176.70 2pnd n ILE 48 N 3.95 0.00 -3.71 1.82 -5.35 0.25 -4.92 119.36 111.40 2pnd n ILE 48 Ca 0.09 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.15 2pnd n ILE 48 Cb 0.47 0.38 -0.09 0.00 -1.74 0.00 0.00 39.64 38.65 2pnd n ILE 48 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2pnd s PHE 49 N -2.80 -0.54 -0.02 4.28 5.36 -1.01 -4.52 117.98 118.73 2pnd s PHE 49 Ca -0.03 1.30 0.01 0.00 -0.96 0.00 0.00 56.93 57.25 2pnd s PHE 49 Cb 0.09 0.19 0.02 0.00 -0.34 0.00 0.00 43.02 42.98 2pnd s PHE 49 CO 0.57 -0.26 -0.02 -1.17 -1.46 0.00 0.00 175.22 172.88 2pnd s LEU 50 N 0.33 1.47 -0.14 6.12 2.96 -0.55 -1.36 118.68 127.51 2pnd s LEU 50 Ca -0.01 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2pnd s LEU 50 Cb -0.04 -0.24 -0.01 0.00 0.50 0.00 0.00 46.19 46.41 2pnd s LEU 50 CO -0.00 -0.05 -0.15 -0.60 -1.32 0.00 0.00 176.35 174.23 2pnd s ARG 51 N 0.63 3.27 0.00 1.98 3.52 0.25 -0.20 118.95 128.41 2pnd s ARG 51 Ca -0.07 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 2pnd s ARG 51 Cb -0.10 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 2pnd s ARG 51 CO -0.01 0.10 0.00 -0.40 -0.81 0.00 0.00 175.30 174.19 2pnd n ASP 52 N 3.82 0.00 0.18 -2.12 5.68 -0.62 -1.59 116.55 121.91 2pnd n ASP 52 Ca -0.19 -0.26 0.14 0.00 -0.50 0.00 0.00 54.79 53.98 2pnd n ASP 52 Cb 0.52 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.12 2pnd n ASP 52 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2pnd h SER 53 N 0.00 0.00 -0.59 -1.12 4.64 -1.99 -1.10 113.55 113.40 2pnd h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pnd h SER 53 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2pnd h SER 53 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 2pnd n THR 54 N -2.46 1.60 0.00 2.95 -2.24 -1.26 -5.08 114.28 107.80 2pnd n THR 54 Ca 0.00 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 2pnd n THR 54 Cb 0.17 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2pnd n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pnd n GLY 55 N 0.99 -0.21 3.72 3.38 0.00 -0.42 -4.97 105.19 107.68 2pnd n GLY 55 Ca 0.23 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 2pnd n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pnd s ASP 56 N -4.00 5.98 -0.12 1.61 1.11 -1.26 -1.59 116.67 118.40 2pnd s ASP 56 Ca 0.00 0.22 0.01 0.00 0.18 0.00 0.00 52.55 52.96 2pnd s ASP 56 Cb 0.00 -2.00 0.02 0.00 1.07 0.00 0.00 42.92 42.01 2pnd s ASP 56 CO 0.00 0.24 -0.12 -1.00 1.18 0.00 0.00 175.17 175.46 2pnd s HIS 57 N 0.01 1.82 -0.42 4.23 3.76 0.72 -5.00 115.29 120.42 2pnd s HIS 57 Ca 0.08 -0.91 0.02 0.00 -0.15 0.00 0.00 55.06 54.10 2pnd s HIS 57 Cb -0.12 -1.38 0.12 0.00 1.11 0.00 0.00 32.58 32.32 2pnd s HIS 57 CO 0.00 -0.53 0.19 0.42 -0.85 0.00 0.00 174.74 173.98 2pnd s ILE 58 N 1.34 1.66 0.24 0.60 1.01 -1.26 -1.48 121.20 123.30 2pnd s ILE 58 Ca -0.00 -2.47 0.10 0.00 0.00 0.00 0.00 60.65 58.27 2pnd s ILE 58 Cb -0.14 -2.19 -0.07 0.00 0.01 0.00 0.00 42.46 40.08 2pnd s ILE 58 CO -0.06 -0.80 1.54 0.06 0.00 0.00 0.00 174.94 175.68 2pnd h GLN 59 N 7.05 0.00 -6.01 2.79 3.07 -1.92 -3.44 115.11 116.64 2pnd h GLN 59 Ca -0.05 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.12 2pnd h GLN 59 Cb 0.95 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.45 2pnd h GLN 59 CO 0.53 0.70 0.30 -0.65 0.09 0.00 0.00 178.83 179.79 2pnd s GLN 60 N -3.41 4.36 0.31 0.06 -0.21 -1.26 -4.94 119.66 114.57 2pnd s GLN 60 Ca -0.01 1.01 0.07 0.00 0.02 0.00 0.00 55.36 56.46 2pnd s GLN 60 Cb 0.12 -3.53 0.81 0.00 1.00 0.00 0.00 33.01 31.41 2pnd s GLN 60 CO 0.77 -0.19 1.73 0.00 -2.12 0.00 0.00 175.29 175.49 2pnd h ALA 61 N 7.12 1.67 0.00 6.09 0.00 -1.96 -1.18 119.26 131.00 2pnd h ALA 61 Ca -0.34 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2pnd h ALA 61 Cb 1.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pnd h ALA 61 CO 0.80 -0.24 0.00 1.57 0.00 0.00 0.00 179.25 181.38 2pnd h LYS 62 N 0.57 0.00 0.00 0.00 2.10 -1.97 -2.28 116.57 114.99 2pnd h LYS 62 Ca 0.61 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 2pnd h LYS 62 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2pnd h LYS 62 CO -0.47 0.00 -1.51 0.66 -2.00 0.00 0.00 179.45 176.13 2pnd n TYR 63 N -2.40 0.00 -2.20 0.07 4.01 -0.47 -4.86 117.16 111.32 2pnd n TYR 63 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2pnd n TYR 63 Cb 0.19 -0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 38.91 2pnd n TYR 63 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2pnd s ARG 64 N -3.07 4.23 0.00 -0.72 0.52 -0.86 -0.91 118.95 118.14 2pnd s ARG 64 Ca -0.02 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 2pnd s ARG 64 Cb 0.12 -3.78 0.00 0.00 0.52 0.00 0.00 34.95 31.81 2pnd s ARG 64 CO 0.75 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 175.76 2pnd n GLY 65 N 3.82 0.54 0.00 -3.53 0.00 -1.26 -4.92 105.19 99.84 2pnd n GLY 65 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 2pnd n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnd n ARG 66 N -2.00 3.95 -5.23 1.61 1.74 -0.08 -4.94 116.66 111.71 2pnd n ARG 66 Ca 0.00 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.75 2pnd n ARG 66 Cb 0.00 -0.82 -0.16 0.00 -1.02 0.00 0.00 32.46 30.46 2pnd n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pnd s LEU 67 N -2.53 2.12 -0.03 0.55 1.43 -1.15 -0.64 118.68 118.44 2pnd s LEU 67 Ca 0.01 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 2pnd s LEU 67 Cb 0.03 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.89 2pnd s LEU 67 CO 0.17 0.25 0.00 -0.75 0.23 0.00 0.00 176.35 176.25 2pnd s LYS 68 N -0.20 0.29 -0.14 1.70 2.20 -0.39 -5.00 119.74 118.20 2pnd s LYS 68 Ca -0.02 0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.65 2pnd s LYS 68 Cb -0.13 -0.50 -0.03 0.00 -1.51 0.00 0.00 37.83 35.66 2pnd s LYS 68 CO 0.03 -0.15 -0.04 0.08 -0.36 0.00 0.00 175.35 174.91 2pnd s VAL 69 N 1.13 3.90 0.47 4.02 1.01 -1.26 -0.10 120.40 129.56 2pnd s VAL 69 Ca -0.08 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.30 2pnd s VAL 69 Cb -0.13 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 2pnd s VAL 69 CO -0.02 0.51 1.08 -1.20 0.00 0.00 0.00 175.10 175.47 2pnd n SER 70 N 3.27 1.52 0.00 3.32 7.64 -0.34 -4.93 113.62 124.10 2pnd n SER 70 Ca -0.18 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.70 2pnd n SER 70 Cb 0.53 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2pnd n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pnd n HIS 71 N -0.74 0.00 0.07 1.43 1.44 -1.26 -4.52 115.22 111.63 2pnd n HIS 71 Ca 0.10 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.63 2pnd n HIS 71 Cb 0.41 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.38 2pnd n HIS 71 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2pnd h LYS 72 N 0.00 0.28 -5.01 -1.40 1.57 -1.92 -3.44 116.57 106.65 2pnd h LYS 72 Ca 0.00 -0.48 -0.64 0.00 -1.87 0.00 0.00 60.65 57.66 2pnd h LYS 72 Cb 0.00 0.18 -0.16 0.00 0.08 0.00 0.00 32.23 32.33 2pnd h LYS 72 CO 0.00 1.16 -0.37 0.08 -0.57 0.00 0.00 179.45 179.75 2pnd s VAL 73 N -2.61 5.24 0.27 0.50 1.01 -1.26 -5.04 120.40 118.51 2pnd s VAL 73 Ca -0.10 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 2pnd s VAL 73 Cb 0.06 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 2pnd s VAL 73 CO 0.86 0.17 1.47 -2.65 0.00 0.00 0.00 175.10 174.95 2pnd n PRO 74 N 5.21 2.33 0.00 2.72 -0.02 -1.26 -1.70 135.00 142.28 2pnd n PRO 74 Ca -0.11 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2pnd n PRO 74 Cb 0.51 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2pnd n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnd n GLY 75 N 1.98 1.51 3.39 -1.23 0.00 -1.26 -4.69 105.19 104.89 2pnd n GLY 75 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2pnd n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pnd s ASP 76 N -3.00 6.03 -0.28 1.61 -1.08 -0.69 -0.59 116.67 118.68 2pnd s ASP 76 Ca 0.00 -1.19 0.08 0.00 -0.52 0.00 0.00 52.55 50.93 2pnd s ASP 76 Cb 0.00 -2.14 0.45 0.00 -1.46 0.00 0.00 42.92 39.77 2pnd s ASP 76 CO 0.00 -0.55 1.27 1.33 0.52 0.00 0.00 175.17 177.75 2pnd n VAL 77 N 5.14 2.47 -1.92 1.11 0.24 -0.28 -4.28 118.33 120.80 2pnd n VAL 77 Ca -0.12 -3.63 -0.38 0.00 -2.04 0.00 0.00 64.34 58.17 2pnd n VAL 77 Cb 0.45 -0.72 0.03 0.00 -1.47 0.00 0.00 33.84 32.13 2pnd n VAL 77 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2pnd s SER 78 N -3.26 5.46 -0.22 -1.34 0.01 -1.18 -4.62 113.70 108.55 2pnd s SER 78 Ca 0.46 2.62 -0.09 0.00 1.31 0.00 0.00 55.95 60.24 2pnd s SER 78 Cb 0.40 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 2pnd s SER 78 CO -0.01 -1.43 0.12 -0.22 0.41 0.00 0.00 173.24 172.11 2pnd s LEU 79 N -3.48 3.99 -0.14 2.44 2.96 -0.51 -1.20 118.68 122.74 2pnd s LEU 79 Ca 0.71 0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 54.68 2pnd s LEU 79 Cb -0.37 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 2pnd s LEU 79 CO 0.43 0.10 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.93 2pnd s GLN 80 N 0.82 3.46 -0.14 1.98 0.74 0.85 -0.03 119.66 127.34 2pnd s GLN 80 Ca 0.06 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.95 2pnd s GLN 80 Cb -0.13 -2.83 0.00 0.00 1.10 0.00 0.00 33.01 31.15 2pnd s GLN 80 CO 0.02 0.33 -0.17 0.42 -0.55 0.00 0.00 175.29 175.34 2pnd s ILE 81 N 0.10 2.50 -0.11 -2.34 1.01 -0.04 -1.26 121.20 121.06 2pnd s ILE 81 Ca -0.01 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 2pnd s ILE 81 Cb -0.14 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 2pnd s ILE 81 CO 0.03 0.53 0.29 0.21 0.00 0.00 0.00 174.94 175.99 2pnd s ASN 82 N 0.74 6.51 -0.67 3.58 3.04 0.19 -1.42 114.94 126.90 2pnd s ASN 82 Ca -0.07 0.61 -0.04 0.00 0.04 0.00 0.00 52.86 53.39 2pnd s ASN 82 Cb -0.16 -2.17 0.01 0.00 -1.54 0.00 0.00 41.25 37.38 2pnd s ASN 82 CO 0.01 0.22 0.67 0.41 -3.04 0.00 0.00 177.10 175.37 2pnd n THR 83 N 2.82 -9.98 -1.78 -5.21 -1.04 -0.40 -4.85 114.28 93.84 2pnd n THR 83 Ca -0.14 0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.47 2pnd n THR 83 Cb 0.53 -6.78 -0.03 0.00 -1.82 0.00 0.00 70.33 62.23 2pnd n THR 83 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2pnd s LEU 84 N -3.73 4.36 0.16 -4.42 1.43 0.19 -4.68 118.68 112.00 2pnd s LEU 84 Ca 0.06 2.85 0.01 0.00 -1.03 0.00 0.00 54.13 56.02 2pnd s LEU 84 Cb -0.02 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 2pnd s LEU 84 CO 0.76 -0.93 0.31 -1.10 0.23 0.00 0.00 176.35 175.63 2pnd s GLN 85 N 0.68 3.46 0.36 1.70 -0.21 -1.26 -0.24 119.66 124.16 2pnd s GLN 85 Ca 0.71 -0.51 0.06 0.00 0.02 0.00 0.00 55.36 55.64 2pnd s GLN 85 Cb -0.48 -2.93 0.75 0.00 1.00 0.00 0.00 33.01 31.35 2pnd s GLN 85 CO 0.36 0.49 1.95 0.52 -2.12 0.00 0.00 175.29 176.49 2pnd h MET 86 N 2.14 0.72 0.00 2.91 2.86 -1.96 -0.46 114.93 121.15 2pnd h MET 86 Ca -0.48 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2pnd h MET 86 Cb 1.19 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2pnd h MET 86 CO 0.69 0.48 0.00 -0.25 1.06 0.00 0.00 176.91 178.89 2pnd n ASP 87 N -4.48 0.00 0.04 1.22 8.00 -1.26 -2.17 116.55 117.90 2pnd n ASP 87 Ca 0.11 0.09 0.12 0.00 0.71 0.00 0.00 54.79 55.82 2pnd n ASP 87 Cb 0.25 -0.31 0.48 0.00 -0.02 0.00 0.00 41.12 41.52 2pnd n ASP 87 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2pnd n ASP 88 N -1.31 0.29 -4.68 -2.24 8.00 -0.18 -4.78 116.55 111.64 2pnd n ASP 88 Ca 0.08 0.54 -0.45 0.00 0.71 0.00 0.00 54.79 55.68 2pnd n ASP 88 Cb 0.15 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 40.60 2pnd n ASP 88 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pnd n ARG 89 N -1.79 2.46 -3.80 -1.24 1.74 -0.92 -4.88 116.66 108.23 2pnd n ARG 89 Ca 0.05 0.89 0.03 0.00 -0.77 0.00 0.00 57.85 58.06 2pnd n ARG 89 Cb 0.31 -2.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 2pnd n ARG 89 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2pnd s ASN 90 N 2.15 -0.01 -0.23 0.55 3.84 -1.03 -5.02 114.94 115.18 2pnd s ASN 90 Ca 0.82 -0.09 -0.11 0.00 0.21 0.00 0.00 52.86 53.69 2pnd s ASN 90 Cb -0.59 0.08 -0.05 0.00 -0.55 0.00 0.00 41.25 40.14 2pnd s ASN 90 CO 0.39 -0.15 0.18 -1.00 -2.79 0.00 0.00 177.10 173.73 2pnd s HIS 91 N -2.10 3.33 -0.13 0.43 3.76 -1.26 -0.73 115.29 118.59 2pnd s HIS 91 Ca 0.23 0.27 -0.04 0.00 -0.15 0.00 0.00 55.06 55.37 2pnd s HIS 91 Cb 0.03 -2.28 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 2pnd s HIS 91 CO -0.04 0.09 0.01 0.71 -0.85 0.00 0.00 174.74 174.66 2pnd s TYR 92 N 0.99 3.15 -0.12 1.40 2.02 0.34 -3.33 117.35 121.80 2pnd s TYR 92 Ca 0.09 0.03 -0.01 0.00 -0.37 0.00 0.00 57.07 56.80 2pnd s TYR 92 Cb -0.13 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2pnd s TYR 92 CO 0.04 0.26 -0.09 0.99 -1.57 0.00 0.00 175.55 175.18 2pnd s THR 93 N -0.24 3.49 -0.18 -0.71 2.01 0.16 -0.22 115.64 119.94 2pnd s THR 93 Ca 0.06 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 2pnd s THR 93 Cb -0.12 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2pnd s THR 93 CO 0.02 0.53 -0.00 0.00 -0.69 0.00 0.00 174.62 174.48 2pnd s GLU 95 N 0.71 2.50 -0.04 0.00 2.12 -0.00 -1.58 118.70 122.42 2pnd s GLU 95 Ca -0.00 -0.66 0.07 0.00 0.36 0.00 0.00 54.97 54.73 2pnd s GLU 95 Cb -0.14 -2.10 -0.01 0.00 0.26 0.00 0.00 34.13 32.13 2pnd s GLU 95 CO 0.02 -0.06 -0.25 0.08 -0.54 0.00 0.00 175.26 174.51 2pnd s VAL 96 N 0.98 1.98 -0.07 3.70 1.01 0.09 -0.76 120.40 127.32 2pnd s VAL 96 Ca -0.05 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.92 2pnd s VAL 96 Cb -0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 2pnd s VAL 96 CO -0.03 0.56 -0.19 -0.89 0.00 0.00 0.00 175.10 174.55 2pnd s THR 97 N -0.35 2.59 0.10 3.92 2.01 -0.50 -1.27 115.64 122.14 2pnd s THR 97 Ca 0.03 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.24 2pnd s THR 97 Cb -0.12 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2pnd s THR 97 CO 0.01 0.57 -0.21 0.26 -0.69 0.00 0.00 174.62 174.56 2pnd s TRP 98 N -0.20 1.80 -0.12 4.92 0.51 -0.04 -0.56 118.94 125.25 2pnd s TRP 98 Ca -0.01 -0.42 -0.15 0.00 -2.12 0.00 0.00 56.10 53.40 2pnd s TRP 98 Cb -0.13 -0.99 -0.05 0.00 -0.81 0.00 0.00 33.47 31.49 2pnd s TRP 98 CO 0.03 0.21 0.37 -1.14 -0.51 0.00 0.00 176.95 175.90 2pnd s GLN 99 N -1.89 4.20 0.41 4.98 0.74 0.19 -0.58 119.66 127.71 2pnd s GLN 99 Ca 0.07 0.25 0.08 0.00 0.05 0.00 0.00 55.36 55.81 2pnd s GLN 99 Cb -0.10 -3.39 0.01 0.00 1.10 0.00 0.00 33.01 30.63 2pnd s GLN 99 CO 0.04 0.30 0.55 0.95 -0.55 0.00 0.00 175.29 176.59 2pnd s THR 100 N 0.22 3.20 0.53 -0.34 -4.23 0.14 -1.20 115.64 113.96 2pnd s THR 100 Ca 0.21 -0.99 0.23 0.00 -1.18 0.00 0.00 61.69 59.96 2pnd s THR 100 Cb -0.14 -3.08 0.37 0.00 1.34 0.00 0.00 72.50 71.00 2pnd s THR 100 CO 0.07 -0.03 2.02 -0.65 -0.54 0.00 0.00 174.62 175.50 2pnd h PRO 101 N 0.68 0.01 -0.11 3.99 0.11 -1.89 0.91 132.00 135.70 2pnd h PRO 101 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2pnd h PRO 101 Cb 1.28 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2pnd h PRO 101 CO 0.47 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.01 2pnd n ASP 102 N -4.41 1.11 0.00 -2.05 8.00 -1.26 -4.92 116.55 113.02 2pnd n ASP 102 Ca 0.08 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.97 2pnd n ASP 102 Cb 0.52 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2pnd n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pnd n GLY 103 N 1.02 0.66 3.92 0.44 0.00 0.31 -5.07 105.19 106.48 2pnd n GLY 103 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 2pnd n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pnd s ASN 104 N -2.04 5.21 -0.15 1.61 2.47 -1.26 -4.78 114.94 116.01 2pnd s ASN 104 Ca 0.00 0.59 0.00 0.00 0.42 0.00 0.00 52.86 53.87 2pnd s ASN 104 Cb 0.00 -1.41 -0.01 0.00 -1.45 0.00 0.00 41.25 38.38 2pnd s ASN 104 CO 0.00 -1.33 -0.14 -1.10 -3.72 0.00 0.00 177.10 170.80 2pnd s GLN 105 N -5.12 3.28 0.08 0.43 -0.21 -1.26 -0.68 119.66 116.17 2pnd s GLN 105 Ca 0.57 -0.73 0.08 0.00 0.02 0.00 0.00 55.36 55.30 2pnd s GLN 105 Cb -0.11 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 2pnd s GLN 105 CO 0.45 0.09 -0.20 0.14 -2.12 0.00 0.00 175.29 173.65 2pnd s VAL 106 N 0.65 1.63 -0.07 1.09 -7.23 0.25 -4.96 120.40 111.76 2pnd s VAL 106 Ca -0.08 -1.41 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 2pnd s VAL 106 Cb -0.16 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.32 2pnd s VAL 106 CO 0.02 -0.00 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.99 2pnd s ILE 107 N -1.06 1.62 0.07 -0.62 1.01 -1.26 -0.86 121.20 120.10 2pnd s ILE 107 Ca 0.06 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.99 2pnd s ILE 107 Cb -0.10 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 2pnd s ILE 107 CO 0.03 0.46 -0.21 -0.13 0.00 0.00 0.00 174.94 175.10 2pnd s ARG 108 N 0.24 1.27 0.07 2.79 1.81 -0.40 -5.00 118.95 119.73 2pnd s ARG 108 Ca -0.10 -1.04 -0.06 0.00 -1.72 0.00 0.00 55.73 52.81 2pnd s ARG 108 Cb -0.15 -1.45 -0.02 0.00 -0.45 0.00 0.00 34.95 32.89 2pnd s ARG 108 CO 0.05 0.36 0.10 0.16 -0.68 0.00 0.00 175.30 175.28 2pnd s ASP 109 N -1.51 0.27 0.04 0.23 1.47 -1.26 -0.74 116.67 115.18 2pnd s ASP 109 Ca 0.07 -0.78 -0.06 0.00 1.18 0.00 0.00 52.55 52.96 2pnd s ASP 109 Cb -0.09 0.28 -0.01 0.00 -0.34 0.00 0.00 42.92 42.76 2pnd s ASP 109 CO 0.03 -0.67 0.10 -0.54 0.68 0.00 0.00 175.17 174.77 2pnd s LYS 110 N -3.84 0.60 -0.10 2.11 -0.14 -0.61 -5.00 119.74 112.77 2pnd s LYS 110 Ca 0.05 -0.77 0.03 0.00 -1.36 0.00 0.00 55.97 53.92 2pnd s LYS 110 Cb 0.06 0.24 -0.01 0.00 -1.68 0.00 0.00 37.83 36.44 2pnd s LYS 110 CO -0.10 -0.15 -0.20 0.42 -0.76 0.00 0.00 175.35 174.55 2pnd s ILE 111 N -2.70 2.41 -0.09 2.17 1.01 -1.26 -1.34 121.20 121.40 2pnd s ILE 111 Ca -0.04 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.72 2pnd s ILE 111 Cb -0.01 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.53 2pnd s ILE 111 CO -0.05 0.55 -0.14 -0.63 0.00 0.00 0.00 174.94 174.67 2pnd s ILE 112 N 0.16 1.38 0.03 2.92 1.09 0.69 -4.84 121.20 122.63 2pnd s ILE 112 Ca -0.11 -0.59 -0.30 0.00 -1.10 0.00 0.00 60.65 58.54 2pnd s ILE 112 Cb -0.16 -1.26 -0.04 0.00 -1.06 0.00 0.00 42.46 39.94 2pnd s ILE 112 CO 0.06 0.41 1.01 -0.70 -0.10 0.00 0.00 174.94 175.63 2pnd s GLU 113 N 0.83 4.57 -0.20 2.79 2.12 -0.81 -0.50 118.70 127.49 2pnd s GLU 113 Ca -0.10 1.49 -0.05 0.00 0.36 0.00 0.00 54.97 56.66 2pnd s GLU 113 Cb -0.15 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 2pnd s GLU 113 CO 0.01 -0.03 0.00 -1.17 -0.54 0.00 0.00 175.26 173.54 2pnd s LEU 114 N 0.78 3.27 0.10 2.70 2.96 0.09 -0.72 118.68 127.86 2pnd s LEU 114 Ca 0.52 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 2pnd s LEU 114 Cb -0.23 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2pnd s LEU 114 CO 0.29 0.06 0.07 -0.13 -1.32 0.00 0.00 176.35 175.31 2pnd s ARG 115 N 1.05 2.79 -0.17 1.98 0.52 -0.20 -2.47 118.95 122.44 2pnd s ARG 115 Ca 0.02 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 2pnd s ARG 115 Cb -0.14 -2.66 0.03 0.00 0.52 0.00 0.00 34.95 32.70 2pnd s ARG 115 CO 0.02 0.54 -0.13 0.08 0.02 0.00 0.00 175.30 175.83 2pnd s VAL 116 N -1.43 1.65 -0.04 3.52 1.01 -1.26 -0.96 120.40 122.89 2pnd s VAL 116 Ca 0.29 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 2pnd s VAL 116 Cb -0.12 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2pnd s VAL 116 CO 0.21 0.35 0.01 -0.60 0.00 0.00 0.00 175.10 175.07 2pnd s ARG 117 N 1.43 2.91 0.00 2.72 3.52 0.16 -4.86 118.95 124.84 2pnd s ARG 117 Ca 0.02 -0.50 0.29 0.00 -0.13 0.00 0.00 55.73 55.42 2pnd s ARG 117 Cb -0.14 -2.75 1.30 0.00 -1.56 0.00 0.00 34.95 31.80 2pnd s ARG 117 CO -0.10 0.67 1.89 1.63 -0.81 0.00 0.00 175.30 178.58