#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zup n HIS 0 N 0.00 0.00 -3.17 1.57 -0.00 -1.26 -5.24 115.22 107.12 1zup n HIS 0 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 1zup n HIS 0 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 1zup n HIS 0 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1zup s GLN 2 N 0.00 0.68 -0.43 -0.41 -1.52 -1.26 -5.25 119.66 111.47 1zup s GLN 2 Ca 0.00 0.05 -0.13 0.00 -1.95 0.00 0.00 55.36 53.33 1zup s GLN 2 Cb 0.00 0.15 0.06 0.00 -0.22 0.00 0.00 33.01 33.00 1zup s GLN 2 CO 0.00 -1.07 0.31 0.08 -0.25 0.00 0.00 175.29 174.36 1zup s VAL 3 N 2.24 4.88 -0.31 1.09 1.01 -1.26 -5.06 120.40 122.99 1zup s VAL 3 Ca 0.14 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 60.84 1zup s VAL 3 Cb -0.06 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1zup s VAL 3 CO -0.15 -0.45 0.83 0.00 0.00 0.00 0.00 175.10 175.33 1zup s ARG 4 N 1.58 3.98 -0.22 2.72 1.04 -1.26 -5.03 118.95 121.76 1zup s ARG 4 Ca 0.04 0.66 -0.08 0.00 -1.04 0.00 0.00 55.73 55.31 1zup s ARG 4 Cb -0.22 -3.73 -0.04 0.00 -2.04 0.00 0.00 34.95 28.92 1zup s ARG 4 CO 0.06 -0.71 0.07 0.42 -0.04 0.00 0.00 175.30 175.10 1zup s ILE 5 N 3.06 4.64 -0.59 4.99 1.01 -1.26 -4.95 121.20 128.08 1zup s ILE 5 Ca 0.34 -0.08 0.18 0.00 0.00 0.00 0.00 60.65 61.09 1zup s ILE 5 Cb -0.14 -3.13 -0.22 0.00 0.01 0.00 0.00 42.46 38.99 1zup s ILE 5 CO 0.13 0.40 0.65 -0.62 0.00 0.00 0.00 174.94 175.49 1zup n GLU 6 N 4.19 0.99 -3.57 2.79 -0.58 -1.26 -4.99 120.64 118.21 1zup n GLU 6 Ca -0.16 -0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.39 1zup n GLU 6 Cb 0.52 -1.36 -0.06 0.00 -0.57 0.00 0.00 31.44 29.97 1zup n GLU 6 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1zup s ARG 7 N -2.84 0.79 -0.06 3.49 3.52 -1.26 -2.49 118.95 120.09 1zup s ARG 7 Ca 0.03 0.33 -0.08 0.00 -0.13 0.00 0.00 55.73 55.88 1zup s ARG 7 Cb 0.13 0.37 0.02 0.00 -1.56 0.00 0.00 34.95 33.91 1zup s ARG 7 CO 0.73 -0.22 0.21 0.00 -0.81 0.00 0.00 175.30 175.22 1zup s ALA 8 N -0.83 -0.52 -0.16 6.12 0.00 -1.26 -5.13 121.76 119.98 1zup s ALA 8 Ca -0.05 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 1zup s ALA 8 Cb -0.01 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.91 1zup s ALA 8 CO 0.04 -0.13 0.42 -1.21 0.00 0.00 0.00 175.76 174.87 1zup s GLU 9 N -0.24 0.44 0.46 0.00 8.01 -1.26 -5.15 118.70 120.96 1zup s GLU 9 Ca -0.03 0.69 -0.24 0.00 0.01 0.00 0.00 54.97 55.40 1zup s GLU 9 Cb -0.03 0.10 -0.08 0.00 -4.31 0.00 0.00 34.13 29.82 1zup s GLU 9 CO 0.01 -0.11 1.33 0.50 0.01 0.00 0.00 175.26 177.00 1zup s ARG 10 N 0.84 3.67 -0.19 1.61 3.52 -1.26 -5.00 118.95 122.15 1zup s ARG 10 Ca -0.05 2.20 -0.07 0.00 -0.13 0.00 0.00 55.73 57.68 1zup s ARG 10 Cb -0.06 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 1zup s ARG 10 CO -0.06 -0.75 0.05 0.42 -0.81 0.00 0.00 175.30 174.15 1zup s ILE 11 N -1.29 4.64 -0.13 4.11 1.01 -1.26 -5.01 121.20 123.28 1zup s ILE 11 Ca 0.62 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1zup s ILE 11 Cb -0.39 -3.09 -0.24 0.00 0.01 0.00 0.00 42.46 38.75 1zup s ILE 11 CO 0.49 0.45 0.34 -0.62 0.00 0.00 0.00 174.94 175.59 1zup n GLU 12 N 3.68 0.70 -4.11 2.79 -0.58 -1.26 -4.98 120.64 116.88 1zup n GLU 12 Ca -0.17 0.23 -0.12 0.00 -0.42 0.00 0.00 57.16 56.68 1zup n GLU 12 Cb 0.52 -1.69 -0.07 0.00 -0.57 0.00 0.00 31.44 29.63 1zup n GLU 12 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1zup s SER 13 N -6.57 0.37 0.00 1.62 1.04 -1.26 -5.04 113.70 103.87 1zup s SER 13 Ca -0.18 -1.29 0.29 0.00 0.48 0.00 0.00 55.95 55.25 1zup s SER 13 Cb 0.07 0.53 1.26 0.00 0.10 0.00 0.00 66.02 67.98 1zup s SER 13 CO 0.77 -1.07 1.88 -0.62 0.98 0.00 0.00 173.24 175.18 1zup n GLU 14 N -0.41 0.72 -1.10 4.02 -0.58 -1.26 -4.20 120.64 117.84 1zup n GLU 14 Ca 0.01 -0.24 -0.11 0.00 -0.42 0.00 0.00 57.16 56.40 1zup n GLU 14 Cb 0.63 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 30.16 1zup n GLU 14 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1zup n LEU 15 N -0.93 4.67 -4.88 -4.62 4.77 -1.26 -5.03 117.00 109.71 1zup n LEU 15 Ca 0.15 -4.03 -0.30 0.00 -0.03 0.00 0.00 56.01 51.81 1zup n LEU 15 Cb 0.27 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1zup n LEU 15 CO 0.23 1.45 0.36 -1.61 -1.33 0.00 0.00 177.39 176.49 1zup s GLU 16 N -3.38 3.74 0.08 3.23 0.41 -1.26 -5.02 118.70 116.50 1zup s GLU 16 Ca 0.48 0.33 -0.36 0.00 -0.41 0.00 0.00 54.97 55.01 1zup s GLU 16 Cb 0.42 -2.48 -0.18 0.00 -1.78 0.00 0.00 34.13 30.11 1zup s GLU 16 CO 0.00 0.06 1.02 -0.85 -0.49 0.00 0.00 175.26 175.00 1zup n GLU 17 N -1.11 0.36 -2.22 1.61 0.28 -1.26 -4.93 120.64 113.37 1zup n GLU 17 Ca 0.01 0.13 -0.42 0.00 -0.16 0.00 0.00 57.16 56.72 1zup n GLU 17 Cb 0.54 -1.55 -0.03 0.00 1.43 0.00 0.00 31.44 31.83 1zup n GLU 17 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1zup s HIS 18 N -0.16 3.28 -0.16 -1.84 3.76 -1.26 -5.00 115.29 113.90 1zup s HIS 18 Ca 0.82 1.12 -0.13 0.00 -0.15 0.00 0.00 55.06 56.71 1zup s HIS 18 Cb -1.09 -3.61 -0.05 0.00 1.11 0.00 0.00 32.58 28.94 1zup s HIS 18 CO 0.55 -2.01 0.27 0.08 -0.85 0.00 0.00 174.74 172.78 1zup s VAL 19 N 0.63 5.32 0.53 -0.90 1.01 -1.26 -5.08 120.40 120.65 1zup s VAL 19 Ca 0.60 0.51 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1zup s VAL 19 Cb -0.36 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.47 1zup s VAL 19 CO 0.34 0.40 0.74 -0.83 0.00 0.00 0.00 175.10 175.74 1zup s GLY 20 N 0.41 1.83 0.91 4.51 0.00 -1.26 -5.08 107.32 108.64 1zup s GLY 20 Ca 0.16 -1.80 -0.10 0.00 0.00 0.00 0.00 44.72 42.98 1zup s GLY 20 CO 0.03 -1.45 1.14 1.22 0.00 0.00 0.00 173.10 174.04 1zup n ASP 21 N -2.20 0.33 -4.76 1.64 8.00 -1.26 -4.98 116.55 113.32 1zup n ASP 21 Ca 0.12 0.43 -0.34 0.00 0.71 0.00 0.00 54.79 55.71 1zup n ASP 21 Cb 0.60 -1.48 0.05 0.00 -0.02 0.00 0.00 41.12 40.28 1zup n ASP 21 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1zup s GLN 22 N -4.59 2.76 -0.01 -1.24 -0.21 -1.26 -4.90 119.66 110.20 1zup s GLN 22 Ca 0.67 1.50 0.08 0.00 0.02 0.00 0.00 55.36 57.63 1zup s GLN 22 Cb -0.23 -1.94 -0.02 0.00 1.00 0.00 0.00 33.01 31.82 1zup s GLN 22 CO 0.58 -1.30 -0.24 0.99 -2.12 0.00 0.00 175.29 173.19 1zup s THR 23 N -2.18 2.22 0.36 -0.19 2.01 -0.02 -5.01 115.64 112.84 1zup s THR 23 Ca 0.69 -1.12 0.05 0.00 0.31 0.00 0.00 61.69 61.63 1zup s THR 23 Cb -0.23 -1.80 -0.07 0.00 0.01 0.00 0.00 72.50 70.41 1zup s THR 23 CO 0.40 0.53 0.04 -0.36 -0.69 0.00 0.00 174.62 174.54 1zup s PHE 24 N -0.67 2.19 0.37 4.92 0.08 -1.26 -1.69 117.98 121.91 1zup s PHE 24 Ca 0.11 -0.84 0.06 0.00 0.12 0.00 0.00 56.93 56.38 1zup s PHE 24 Cb -0.10 -1.49 -0.07 0.00 -0.57 0.00 0.00 43.02 40.79 1zup s PHE 24 CO 0.00 0.19 0.01 0.14 -0.10 0.00 0.00 175.22 175.45 1zup s VAL 25 N -3.06 1.79 0.15 -0.44 -7.23 -0.42 -4.92 120.40 106.27 1zup s VAL 25 Ca 0.36 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1zup s VAL 25 Cb 0.09 -2.87 -0.14 0.00 0.56 0.00 0.00 36.38 34.02 1zup s VAL 25 CO 0.16 -0.04 1.37 -0.08 -0.31 0.00 0.00 175.10 176.20 1zup h GLU 26 N 1.92 0.38 -3.32 4.82 4.57 -1.99 -3.32 114.58 117.64 1zup h GLU 26 Ca -0.43 -0.36 -0.19 0.00 -1.18 0.00 0.00 59.36 57.20 1zup h GLU 26 Cb 1.24 0.09 -0.27 0.00 -0.16 0.00 0.00 28.75 29.66 1zup h GLU 26 CO 0.76 1.02 -0.52 -1.21 -1.18 0.00 0.00 179.01 177.88 1zup s GLU 27 N -3.42 0.19 0.07 1.92 0.41 -1.26 -4.84 118.70 111.77 1zup s GLU 27 Ca -0.05 0.24 -0.26 0.00 -0.41 0.00 0.00 54.97 54.48 1zup s GLU 27 Cb 0.10 0.09 -0.06 0.00 -1.78 0.00 0.00 34.13 32.48 1zup s GLU 27 CO 0.85 -0.03 0.81 -1.12 -0.49 0.00 0.00 175.26 175.28 1zup s SER 28 N 0.12 7.28 -1.01 -0.19 0.01 -1.26 -4.70 113.70 113.95 1zup s SER 28 Ca -0.00 1.53 -0.01 0.00 1.31 0.00 0.00 55.95 58.77 1zup s SER 28 Cb -0.01 -2.49 0.32 0.00 0.21 0.00 0.00 66.02 64.04 1zup s SER 28 CO 0.00 0.01 1.69 0.54 0.41 0.00 0.00 173.24 175.89 1zup n ARG 29 N 2.73 5.08 -2.17 12.44 1.74 -1.26 -5.01 116.66 130.21 1zup n ARG 29 Ca -0.02 -4.66 -0.37 0.00 -0.77 0.00 0.00 57.85 52.04 1zup n ARG 29 Cb 0.50 -2.46 0.01 0.00 -1.02 0.00 0.00 32.46 29.48 1zup n ARG 29 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1zup s PHE 30 N -3.92 2.69 -0.90 -1.55 0.08 -1.26 -1.38 117.98 111.73 1zup s PHE 30 Ca 0.38 1.52 -0.23 0.00 0.12 0.00 0.00 56.93 58.71 1zup s PHE 30 Cb 0.16 -3.42 0.06 0.00 -0.57 0.00 0.00 43.02 39.26 1zup s PHE 30 CO -0.07 -1.78 1.30 -0.51 -0.10 0.00 0.00 175.22 174.05 1zup s LEU 31 N -3.42 3.82 0.55 -0.37 1.43 -1.26 -4.88 118.68 114.54 1zup s LEU 31 Ca 0.69 -1.30 0.33 0.00 -1.03 0.00 0.00 54.13 52.81 1zup s LEU 31 Cb -0.29 -2.52 1.41 0.00 0.03 0.00 0.00 46.19 44.82 1zup s LEU 31 CO 0.34 -1.49 2.00 -0.33 0.23 0.00 0.00 176.35 177.11 1zup h GLU 32 N 9.64 0.00 0.00 1.70 4.39 -2.00 -0.68 114.58 127.62 1zup h GLU 32 Ca 0.04 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1zup h GLU 32 Cb 1.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1zup h GLU 32 CO 1.31 0.04 -0.19 1.05 -1.16 0.00 0.00 179.01 180.06 1zup h GLU 33 N 0.00 0.00 -6.99 2.33 9.09 -2.04 -3.45 114.58 113.52 1zup h GLU 33 Ca -0.00 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.85 1zup h GLU 33 Cb 0.49 0.00 0.17 0.00 -1.65 0.00 0.00 28.75 27.75 1zup h GLU 33 CO 0.00 0.19 0.29 -3.47 0.05 0.00 0.00 179.01 176.07 1zup n ASP 34 N -3.42 1.26 -3.67 3.06 2.03 -0.27 -5.05 116.55 110.49 1zup n ASP 34 Ca -0.00 0.78 -0.10 0.00 0.52 0.00 0.00 54.79 55.99 1zup n ASP 34 Cb 0.38 -1.47 -0.09 0.00 -0.72 0.00 0.00 41.12 39.22 1zup n ASP 34 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1zup s GLU 35 N -3.18 0.55 0.18 -0.67 2.12 -1.26 -4.95 118.70 111.49 1zup s GLU 35 Ca 0.79 0.96 -0.32 0.00 0.36 0.00 0.00 54.97 56.75 1zup s GLU 35 Cb -0.38 0.09 -0.12 0.00 0.26 0.00 0.00 34.13 33.98 1zup s GLU 35 CO 0.45 -0.14 1.75 0.94 -0.54 0.00 0.00 175.26 177.71 1zup n GLN 36 N 4.05 2.73 -4.40 4.30 7.27 -1.26 -5.00 117.38 125.07 1zup n GLN 36 Ca -0.21 0.99 -0.24 0.00 0.07 0.00 0.00 57.00 57.61 1zup n GLN 36 Cb 0.57 -2.84 -0.09 0.00 2.41 0.00 0.00 30.24 30.28 1zup n GLN 36 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1zup s ARG 37 N 1.60 1.87 0.30 3.69 1.81 -1.26 -5.09 118.95 121.87 1zup s ARG 37 Ca 0.77 -1.62 -0.29 0.00 -1.72 0.00 0.00 55.73 52.88 1zup s ARG 37 Cb -0.51 -1.91 -0.13 0.00 -0.45 0.00 0.00 34.95 31.94 1zup s ARG 37 CO 0.34 0.35 1.29 -1.91 -0.68 0.00 0.00 175.30 174.69 1zup n GLU 38 N -0.58 2.00 -3.75 3.54 4.07 -1.26 -4.82 120.64 119.83 1zup n GLU 38 Ca -0.06 0.70 -0.24 0.00 -0.06 0.00 0.00 57.16 57.50 1zup n GLU 38 Cb 0.59 -2.28 -0.03 0.00 -0.06 0.00 0.00 31.44 29.66 1zup n GLU 38 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1zup n GLY 39 N 1.25 3.23 3.32 8.31 0.00 -1.26 -4.98 105.19 115.06 1zup n GLY 39 Ca 0.07 -2.31 -0.28 0.00 0.00 0.00 0.00 46.02 43.51 1zup n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zup s GLU 40 N -3.65 1.50 0.16 1.61 2.02 -1.26 -4.98 118.70 114.10 1zup s GLU 40 Ca 0.13 -1.12 -0.31 0.00 0.02 0.00 0.00 54.97 53.69 1zup s GLU 40 Cb -0.01 -1.74 -0.09 0.00 0.10 0.00 0.00 34.13 32.39 1zup s GLU 40 CO 0.08 0.44 1.40 0.42 0.02 0.00 0.00 175.26 177.62 1zup s ILE 41 N -0.91 3.11 0.41 -1.63 -1.09 -1.26 -4.61 121.20 115.22 1zup s ILE 41 Ca 0.10 0.83 -0.24 0.00 -2.23 0.00 0.00 60.65 59.12 1zup s ILE 41 Cb -0.10 -3.53 -0.09 0.00 -1.58 0.00 0.00 42.46 37.17 1zup s ILE 41 CO 0.03 0.09 1.07 -0.76 -1.23 0.00 0.00 174.94 174.14 1zup s LEU 42 N 0.67 4.12 0.10 2.97 1.43 -1.26 -4.95 118.68 121.76 1zup s LEU 42 Ca 0.63 2.10 0.03 0.00 -1.03 0.00 0.00 54.13 55.85 1zup s LEU 42 Cb -0.38 -4.19 -0.24 0.00 0.03 0.00 0.00 46.19 41.41 1zup s LEU 42 CO 0.34 -0.58 1.20 0.44 0.23 0.00 0.00 176.35 177.98 1zup h ASP 43 N 2.42 0.17 -4.80 2.29 3.32 -1.95 -3.41 116.42 114.46 1zup h ASP 43 Ca -0.48 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.24 1zup h ASP 43 Cb 1.22 -0.05 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 1zup h ASP 43 CO 0.62 1.14 -0.40 -1.10 -1.72 0.00 0.00 179.24 177.78 1zup s GLN 44 N -2.68 0.52 -0.09 3.56 -0.21 -1.26 -0.21 119.66 119.28 1zup s GLN 44 Ca -0.01 -0.21 -0.07 0.00 0.02 0.00 0.00 55.36 55.09 1zup s GLN 44 Cb 0.09 0.23 0.03 0.00 1.00 0.00 0.00 33.01 34.36 1zup s GLN 44 CO 0.84 -0.13 0.23 0.42 -2.12 0.00 0.00 175.29 174.54 1zup s ILE 45 N -1.13 -0.02 -0.23 1.08 1.01 -0.24 -4.41 121.20 117.27 1zup s ILE 45 Ca -0.12 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 1zup s ILE 45 Cb -0.06 -0.34 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 1zup s ILE 45 CO 0.02 0.03 0.25 -0.63 0.00 0.00 0.00 174.94 174.61 1zup s ILE 46 N 0.59 5.29 -0.12 2.92 1.01 -0.31 -0.29 121.20 130.29 1zup s ILE 46 Ca -0.04 0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 1zup s ILE 46 Cb -0.05 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1zup s ILE 46 CO -0.03 0.30 0.03 -0.36 0.00 0.00 0.00 174.94 174.88 1zup s PHE 47 N 1.21 3.24 -0.06 3.97 0.08 -0.09 -0.64 117.98 125.68 1zup s PHE 47 Ca 0.12 0.17 0.06 0.00 0.12 0.00 0.00 56.93 57.39 1zup s PHE 47 Cb -0.14 -1.90 -0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1zup s PHE 47 CO 0.06 0.38 -0.25 0.08 -0.10 0.00 0.00 175.22 175.40 1zup s VAL 48 N -0.47 2.04 0.30 -0.44 1.01 -0.46 -1.39 120.40 120.98 1zup s VAL 48 Ca 0.09 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 1zup s VAL 48 Cb -0.12 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1zup s VAL 48 CO 0.02 0.56 0.62 -0.62 0.00 0.00 0.00 175.10 175.68 1zup s ASP 49 N -0.08 -0.00 0.05 3.32 -1.08 -0.78 -0.85 116.67 117.24 1zup s ASP 49 Ca -0.06 -0.94 -0.04 0.00 -0.52 0.00 0.00 52.55 50.99 1zup s ASP 49 Cb -0.14 0.70 -0.02 0.00 -1.46 0.00 0.00 42.92 41.99 1zup s ASP 49 CO 0.04 -1.34 0.04 -0.83 0.52 0.00 0.00 175.17 173.61 1zup s GLY 50 N -3.02 0.31 -0.01 2.66 0.00 -1.26 -1.95 107.32 104.04 1zup s GLY 50 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1zup s GLY 50 CO 0.10 -1.05 0.01 1.25 0.00 0.00 0.00 173.10 173.42 1zup s LYS 51 N -3.52 0.05 0.14 2.90 2.47 -0.33 -4.98 119.74 116.47 1zup s LYS 51 Ca 0.03 0.08 0.09 0.00 -1.56 0.00 0.00 55.97 54.60 1zup s LYS 51 Cb 0.05 -0.20 -0.04 0.00 -1.46 0.00 0.00 37.83 36.18 1zup s LYS 51 CO -0.09 -0.08 -0.20 -0.98 0.16 0.00 0.00 175.35 174.16 1zup s ARG 52 N 0.58 1.23 -0.07 4.03 1.70 -1.26 -1.03 118.95 124.12 1zup s ARG 52 Ca -0.05 -1.31 0.01 0.00 -0.47 0.00 0.00 55.73 53.91 1zup s ARG 52 Cb -0.07 -1.41 0.02 0.00 -0.57 0.00 0.00 34.95 32.91 1zup s ARG 52 CO -0.01 0.31 -0.08 0.50 -1.08 0.00 0.00 175.30 174.94 1zup s ARG 53 N -2.38 1.33 -0.13 3.89 3.52 -0.52 -5.01 118.95 119.64 1zup s ARG 53 Ca 0.12 -0.24 -0.05 0.00 -0.13 0.00 0.00 55.73 55.42 1zup s ARG 53 Cb -0.08 -1.27 -0.04 0.00 -1.56 0.00 0.00 34.95 32.00 1zup s ARG 53 CO 0.06 -0.12 0.06 -1.12 -0.81 0.00 0.00 175.30 173.37 1zup s SER 54 N 1.15 5.66 -0.01 -2.12 0.01 -1.26 -1.47 113.70 115.66 1zup s SER 54 Ca -0.06 0.19 -0.01 0.00 1.31 0.00 0.00 55.95 57.38 1zup s SER 54 Cb -0.14 -1.82 -0.00 0.00 0.21 0.00 0.00 66.02 64.26 1zup s SER 54 CO -0.01 0.30 -0.02 0.49 0.41 0.00 0.00 173.24 174.40 1zup n PHE 55 N 2.70 0.00 -4.50 2.43 3.72 0.32 -4.98 117.46 117.15 1zup n PHE 55 Ca -0.18 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.01 1zup n PHE 55 Cb 0.53 -0.03 -0.15 0.00 -0.94 0.00 0.00 39.48 38.89 1zup n PHE 55 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1zup s VAL 56 N -1.13 0.92 -0.15 -4.37 1.01 -1.22 -4.97 120.40 110.50 1zup s VAL 56 Ca -0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1zup s VAL 56 Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1zup s VAL 56 CO 0.02 0.27 0.05 -0.60 0.00 0.00 0.00 175.10 174.85 1zup s ARG 57 N 0.02 3.62 0.28 2.72 3.52 -1.26 -1.10 118.95 126.76 1zup s ARG 57 Ca -0.01 -0.33 0.11 0.00 -0.13 0.00 0.00 55.73 55.37 1zup s ARG 57 Cb -0.08 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.17 1zup s ARG 57 CO 0.00 0.46 -0.16 0.96 -0.81 0.00 0.00 175.30 175.75 1zup s ILE 58 N -0.18 2.29 -0.12 4.11 -4.36 0.13 -4.94 121.20 118.13 1zup s ILE 58 Ca 0.07 -2.33 0.02 0.00 -0.26 0.00 0.00 60.65 58.16 1zup s ILE 58 Cb -0.12 -2.34 0.01 0.00 1.25 0.00 0.00 42.46 41.26 1zup s ILE 58 CO 0.01 -0.38 -0.18 -0.89 0.24 0.00 0.00 174.94 173.75 1zup s THR 59 N -2.62 1.69 1.03 8.37 2.01 -1.26 0.00 115.64 124.87 1zup s THR 59 Ca 0.29 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 1zup s THR 59 Cb -0.02 -1.52 0.21 0.00 0.01 0.00 0.00 72.50 71.17 1zup s THR 59 CO 0.14 0.48 1.17 0.42 -0.69 0.00 0.00 174.62 176.14 1zup s THR 60 N 0.88 1.86 0.24 -0.82 -4.23 -0.69 -4.91 115.64 107.98 1zup s THR 60 Ca -0.08 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 60.74 1zup s THR 60 Cb -0.15 -2.71 0.34 0.00 1.34 0.00 0.00 72.50 71.31 1zup s THR 60 CO -0.01 0.00 2.01 -2.24 -0.54 0.00 0.00 174.62 173.84 1zup h ASP 61 N -1.94 0.00 0.34 3.99 2.03 -2.01 -1.70 116.42 117.13 1zup h ASP 61 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1zup h ASP 61 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 1zup h ASP 61 CO 0.46 0.08 -0.26 -0.62 -1.03 0.00 0.00 179.24 177.87 1zup n GLU 62 N -3.28 0.62 -0.20 4.15 1.02 -1.26 -4.95 120.64 116.74 1zup n GLU 62 Ca -0.00 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1zup n GLU 62 Cb 0.30 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1zup n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zup n GLY 63 N 1.36 0.77 3.67 0.62 0.00 -0.64 -5.04 105.19 105.93 1zup n GLY 63 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1zup n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zup s ILE 64 N -2.17 4.75 0.11 -0.61 1.01 -1.26 -4.74 121.20 118.29 1zup s ILE 64 Ca 0.00 1.96 -0.30 0.00 0.00 0.00 0.00 60.65 62.30 1zup s ILE 64 Cb 0.00 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.12 1zup s ILE 64 CO 0.00 -0.09 1.20 -0.89 0.00 0.00 0.00 174.94 175.17 1zup s THR 65 N 2.65 3.83 0.14 2.92 2.01 -1.26 -1.70 115.64 124.22 1zup s THR 65 Ca 0.44 1.39 0.07 0.00 0.31 0.00 0.00 61.69 63.90 1zup s THR 65 Cb -0.16 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1zup s THR 65 CO 0.11 0.15 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.20 1zup s GLY 66 N 0.69 1.20 -0.08 4.40 0.00 0.10 -4.35 107.32 109.27 1zup s GLY 66 Ca 0.57 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 43.92 1zup s GLY 66 CO 0.32 -1.41 -0.03 -0.42 0.00 0.00 0.00 173.10 171.56 1zup s ILE 67 N -2.06 0.60 -0.04 0.90 1.01 -0.38 0.17 121.20 121.40 1zup s ILE 67 Ca 0.11 -0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.45 1zup s ILE 67 Cb -0.05 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1zup s ILE 67 CO 0.04 0.29 0.89 -0.36 0.00 0.00 0.00 174.94 175.80 1zup s PHE 68 N 1.81 3.60 0.29 3.97 0.40 -0.25 -0.77 117.98 127.03 1zup s PHE 68 Ca 0.04 1.52 -0.10 0.00 -0.60 0.00 0.00 56.93 57.79 1zup s PHE 68 Cb -0.12 -3.02 0.00 0.00 0.51 0.00 0.00 43.02 40.39 1zup s PHE 68 CO -0.06 -0.02 0.51 0.00 0.70 0.00 0.00 175.22 176.36 1zup s ALA 69 N 1.12 0.03 -0.00 5.36 0.00 -0.60 -0.52 121.76 127.13 1zup s ALA 69 Ca 0.46 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1zup s ALA 69 Cb -0.19 1.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1zup s ALA 69 CO 0.23 -0.85 -0.08 -2.00 0.00 0.00 0.00 175.76 173.06 1zup s GLU 70 N -3.52 0.66 -0.03 0.00 2.12 -0.55 -0.91 118.70 116.47 1zup s GLU 70 Ca 0.24 -0.32 0.06 0.00 0.36 0.00 0.00 54.97 55.31 1zup s GLU 70 Cb -0.01 -0.63 -0.01 0.00 0.26 0.00 0.00 34.13 33.74 1zup s GLU 70 CO 0.13 0.17 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.30 1zup s LEU 71 N -0.27 2.02 -0.07 2.70 1.43 0.63 -1.44 118.68 123.68 1zup s LEU 71 Ca 0.03 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1zup s LEU 71 Cb -0.03 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.11 1zup s LEU 71 CO -0.00 0.23 -0.11 0.00 0.23 0.00 0.00 176.35 176.71 1zup s VAL 73 N 0.86 1.47 -0.00 0.00 1.01 -0.29 -1.19 120.40 122.26 1zup s VAL 73 Ca -0.11 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 60.51 1zup s VAL 73 Cb -0.15 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1zup s VAL 73 CO 0.01 -0.02 0.21 0.61 0.00 0.00 0.00 175.10 175.92 1zup n GLY 74 N 1.46 0.62 3.08 4.51 0.00 -0.82 -2.96 105.19 111.08 1zup n GLY 74 Ca -0.19 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1zup n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zup s ALA 75 N -1.17 -0.17 0.16 4.61 0.00 -1.26 -1.87 121.76 122.06 1zup s ALA 75 Ca 0.05 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.78 1zup s ALA 75 Cb -0.00 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1zup s ALA 75 CO -0.00 -0.22 -0.18 0.14 0.00 0.00 0.00 175.76 175.51 1zup s VAL 76 N -1.62 2.78 -0.11 0.00 -7.23 -0.49 -1.04 120.40 112.69 1zup s VAL 76 Ca -0.13 -1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1zup s VAL 76 Cb -0.07 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1zup s VAL 76 CO -0.00 -0.03 -0.07 -0.51 -0.31 0.00 0.00 175.10 174.18 1zup s ILE 77 N -1.47 3.66 -0.15 -0.62 2.07 0.27 -0.92 121.20 124.05 1zup s ILE 77 Ca 0.21 -0.47 -0.04 0.00 -1.41 0.00 0.00 60.65 58.94 1zup s ILE 77 Cb -0.09 -2.55 -0.03 0.00 0.13 0.00 0.00 42.46 39.92 1zup s ILE 77 CO 0.11 0.54 -0.01 0.86 -1.91 0.00 0.00 174.94 174.54 1zup s TRP 78 N -0.15 3.11 -0.11 3.50 -0.00 0.61 -0.57 118.94 125.32 1zup s TRP 78 Ca 0.02 -0.10 0.01 0.00 -0.00 0.00 0.00 56.10 56.03 1zup s TRP 78 Cb -0.13 -1.95 0.02 0.00 -0.00 0.00 0.00 33.47 31.41 1zup s TRP 78 CO 0.03 0.12 -0.13 0.34 -0.00 0.00 0.00 176.95 177.32 1zup s ASP 79 N 0.08 2.35 0.57 5.86 -1.08 -0.37 -1.07 116.67 123.01 1zup s ASP 79 Ca 0.01 -0.39 0.31 0.00 -0.52 0.00 0.00 52.55 51.96 1zup s ASP 79 Cb -0.13 -1.01 1.43 0.00 -1.46 0.00 0.00 42.92 41.75 1zup s ASP 79 CO 0.02 -0.04 1.81 -0.09 0.52 0.00 0.00 175.17 177.40 1zup h ARG 80 N 7.72 0.00 -4.61 4.34 2.43 -0.84 0.16 114.38 123.58 1zup h ARG 80 Ca -0.33 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.16 1zup h ARG 80 Cb 1.15 0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 30.34 1zup h ARG 80 CO 0.48 0.00 -0.64 -1.21 -1.51 0.00 0.00 179.97 177.09 1zup s GLU 81 N -4.73 1.87 0.00 0.20 2.02 -1.26 -4.57 118.70 112.24 1zup s GLU 81 Ca -0.04 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.19 1zup s GLU 81 Cb 0.18 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 31.04 1zup s GLU 81 CO 0.63 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1zup n GLY 82 N 4.47 0.92 6.34 -1.39 0.00 -1.20 -5.07 105.19 109.25 1zup n GLY 82 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1zup n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zup n GLY 83 N -0.37 1.53 3.80 -0.02 0.00 0.54 -4.72 105.19 105.95 1zup n GLY 83 Ca 0.00 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1zup n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zup s THR 84 N 0.00 5.44 0.03 2.61 2.01 -1.26 -1.23 115.64 123.24 1zup s THR 84 Ca 0.00 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1zup s THR 84 Cb 0.00 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1zup s THR 84 CO 0.00 0.52 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.84 1zup s LYS 85 N -0.26 0.50 0.14 4.92 1.02 0.27 -4.99 119.74 121.34 1zup s LYS 85 Ca 0.12 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.15 1zup s LYS 85 Cb -0.12 -0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 36.83 1zup s LYS 85 CO 0.01 0.06 1.10 0.95 -0.92 0.00 0.00 175.35 176.55 1zup s THR 86 N -1.17 4.00 -0.39 2.17 -4.23 -1.26 -0.57 115.64 114.19 1zup s THR 86 Ca -0.08 1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 62.04 1zup s THR 86 Cb -0.09 -4.05 0.05 0.00 1.34 0.00 0.00 72.50 69.76 1zup s THR 86 CO 0.00 0.24 2.74 0.18 -0.54 0.00 0.00 174.62 177.25 1zup n LEU 87 N 2.77 6.36 -3.81 4.79 4.77 -0.21 -4.80 117.00 126.87 1zup n LEU 87 Ca 0.04 -3.87 -0.02 0.00 -0.03 0.00 0.00 56.01 52.12 1zup n LEU 87 Cb 0.47 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1zup n LEU 87 CO 0.54 1.66 0.85 0.72 -1.33 0.00 0.00 177.39 179.82 1zup s PHE 88 N -1.48 -0.01 0.09 -1.77 -0.12 -1.26 -4.74 117.98 108.68 1zup s PHE 88 Ca 0.56 -0.29 -0.27 0.00 -0.05 0.00 0.00 56.93 56.88 1zup s PHE 88 Cb 0.36 0.65 0.08 0.00 -0.63 0.00 0.00 43.02 43.47 1zup s PHE 88 CO -0.17 -0.74 0.94 -1.54 -0.05 0.00 0.00 175.22 173.66 1zup s SER 89 N -3.23 -0.25 0.54 1.98 1.04 -0.76 -4.97 113.70 108.04 1zup s SER 89 Ca 0.18 -0.23 0.23 0.00 0.48 0.00 0.00 55.95 56.61 1zup s SER 89 Cb -0.01 0.44 1.41 0.00 0.10 0.00 0.00 66.02 67.96 1zup s SER 89 CO 0.02 -0.77 2.06 -0.65 0.98 0.00 0.00 173.24 174.88 1zup h PRO 90 N 2.00 0.00 0.00 4.02 0.11 -2.02 -1.11 132.00 135.01 1zup h PRO 90 Ca -0.24 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.78 1zup h PRO 90 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1zup h PRO 90 CO 0.28 0.00 -0.55 0.38 -0.21 0.00 0.00 178.00 177.90 1zup h ASP 91 N 0.00 0.00 -2.53 -2.05 2.03 -2.06 -3.38 116.42 108.43 1zup h ASP 91 Ca 0.15 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.85 1zup h ASP 91 Cb 0.62 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.72 1zup h ASP 91 CO -0.00 0.43 -0.83 0.29 -1.03 0.00 0.00 179.24 178.10 1zup n LYS 92 N -3.16 0.98 -1.71 4.15 5.02 -0.47 -5.12 118.16 117.85 1zup n LYS 92 Ca 0.01 -3.73 -0.32 0.00 -2.02 0.00 0.00 58.31 52.25 1zup n LYS 92 Cb 0.71 -1.86 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 1zup n LYS 92 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1zup s PRO 93 N -0.80 2.95 0.75 1.97 0.04 -0.89 -1.83 135.00 137.19 1zup s PRO 93 Ca 0.31 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 1zup s PRO 93 Cb 0.04 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.64 1zup s PRO 93 CO -0.16 -1.10 1.09 -1.25 0.04 0.00 0.00 177.00 175.61 1zup s PRO 94 N -4.57 2.43 0.04 0.56 0.04 -1.26 -4.87 135.00 127.37 1zup s PRO 94 Ca 0.61 1.14 -0.35 0.00 0.04 0.00 0.00 61.00 62.44 1zup s PRO 94 Cb -0.16 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.32 1zup s PRO 94 CO 0.47 -1.51 1.60 0.28 0.04 0.00 0.00 177.00 177.88 1zup n VAL 95 N -3.37 0.15 -3.99 -0.36 0.31 -1.15 -4.84 118.33 105.08 1zup n VAL 95 Ca 0.09 -0.03 -0.23 0.00 -0.01 0.00 0.00 64.34 64.16 1zup n VAL 95 Cb 0.53 -1.38 -0.17 0.00 -0.91 0.00 0.00 33.84 31.91 1zup n VAL 95 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1zup s LYS 96 N 1.74 0.94 -0.02 5.55 2.20 -1.26 -1.14 119.74 127.76 1zup s LYS 96 Ca 0.85 -0.07 0.02 0.00 -0.36 0.00 0.00 55.97 56.41 1zup s LYS 96 Cb -0.80 -1.08 0.01 0.00 -1.51 0.00 0.00 37.83 34.45 1zup s LYS 96 CO 0.46 -0.20 -0.06 -1.21 -0.36 0.00 0.00 175.35 173.98 1zup s GLU 97 N 1.46 0.75 -0.09 4.03 2.02 -0.28 -4.98 118.70 121.61 1zup s GLU 97 Ca -0.02 -0.20 -0.17 0.00 0.02 0.00 0.00 54.97 54.59 1zup s GLU 97 Cb -0.13 -0.73 -0.05 0.00 0.10 0.00 0.00 34.13 33.32 1zup s GLU 97 CO -0.03 0.05 0.46 1.03 0.02 0.00 0.00 175.26 176.79 1zup s ARG 98 N 0.33 4.27 0.06 1.61 3.00 -1.26 -0.27 118.95 126.68 1zup s ARG 98 Ca -0.04 0.44 0.03 0.00 0.00 0.00 0.00 55.73 56.15 1zup s ARG 98 Cb -0.09 -3.39 -0.03 0.00 0.00 0.00 0.00 34.95 31.44 1zup s ARG 98 CO 0.00 0.27 -0.09 0.14 0.00 0.00 0.00 175.30 175.62 1zup s VAL 99 N 0.26 0.67 -0.29 3.52 -7.23 -0.09 -0.96 120.40 116.28 1zup s VAL 99 Ca 0.25 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 59.20 1zup s VAL 99 Cb -0.15 -0.84 0.07 0.00 0.56 0.00 0.00 36.38 36.01 1zup s VAL 99 CO 0.11 -0.43 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.21 1zup s LEU 100 N -1.82 3.92 0.02 1.32 2.96 0.78 -1.56 118.68 124.30 1zup s LEU 100 Ca -0.05 -1.62 -0.17 0.00 -0.22 0.00 0.00 54.13 52.07 1zup s LEU 100 Cb -0.08 -1.60 -0.06 0.00 0.50 0.00 0.00 46.19 44.95 1zup s LEU 100 CO 0.00 -0.26 0.48 -0.83 -1.32 0.00 0.00 176.35 174.42 1zup s GLY 101 N 1.08 2.56 0.17 7.98 0.00 0.05 -1.43 107.32 117.73 1zup s GLY 101 Ca -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 44.72 44.57 1zup s GLY 101 CO -0.05 0.34 0.12 -1.36 0.00 0.00 0.00 173.10 172.15 1zup s PHE 102 N -0.94 0.95 1.01 1.90 0.08 -0.44 -1.25 117.98 119.29 1zup s PHE 102 Ca 0.26 -1.25 -0.15 0.00 0.12 0.00 0.00 56.93 55.92 1zup s PHE 102 Cb -0.18 -0.46 0.20 0.00 -0.57 0.00 0.00 43.02 42.01 1zup s PHE 102 CO 0.15 -0.61 1.15 -1.54 -0.10 0.00 0.00 175.22 174.27 1zup s SER 103 N -3.09 2.61 0.52 1.36 1.04 -1.26 -4.00 113.70 110.87 1zup s SER 103 Ca 0.30 0.82 0.23 0.00 0.48 0.00 0.00 55.95 57.79 1zup s SER 103 Cb 0.07 -1.25 1.43 0.00 0.10 0.00 0.00 66.02 66.36 1zup s SER 103 CO 0.07 -3.10 2.12 1.56 0.98 0.00 0.00 173.24 174.87 1zup h GLN 104 N -1.88 0.00 0.00 4.02 1.08 -0.83 -2.41 115.11 115.10 1zup h GLN 104 Ca -0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1zup h GLN 104 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1zup h GLN 104 CO 0.51 0.09 0.19 0.43 -0.95 0.00 0.00 178.83 179.09 1zup n SER 105 N -3.98 0.42 -4.73 1.46 7.64 -1.26 -4.42 113.62 108.74 1zup n SER 105 Ca -0.02 0.63 -0.41 0.00 1.01 0.00 0.00 58.87 60.07 1zup n SER 105 Cb 0.18 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 1zup n SER 105 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1zup s PHE 106 N -3.40 3.40 -0.39 1.43 5.36 -0.91 -4.93 117.98 118.54 1zup s PHE 106 Ca -0.02 1.33 0.09 0.00 -0.96 0.00 0.00 56.93 57.38 1zup s PHE 106 Cb 0.05 -3.47 -0.11 0.00 -0.34 0.00 0.00 43.02 39.15 1zup s PHE 106 CO 0.15 -1.39 0.37 1.04 -1.46 0.00 0.00 175.22 173.93 1zup n GLN 107 N 2.97 3.53 -2.41 10.12 6.02 -1.26 -4.97 117.38 131.38 1zup n GLN 107 Ca 0.06 -0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.79 1zup n GLN 107 Cb 0.45 -0.97 0.14 0.00 1.02 0.00 0.00 30.24 30.87 1zup n GLN 107 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1zup s GLU 108 N -1.96 1.30 0.27 -1.09 2.02 -1.26 -5.13 118.70 112.84 1zup s GLU 108 Ca 0.03 -0.97 -0.20 0.00 0.02 0.00 0.00 54.97 53.85 1zup s GLU 108 Cb 0.07 -2.19 0.06 0.00 0.10 0.00 0.00 34.13 32.17 1zup s GLU 108 CO 0.38 -1.78 0.91 -1.21 0.02 0.00 0.00 175.26 173.58 1zup s GLU 109 N -5.38 1.70 1.14 1.61 8.01 -1.26 -5.06 118.70 119.47 1zup s GLU 109 Ca 0.69 -1.07 0.00 0.00 0.01 0.00 0.00 54.97 54.61 1zup s GLU 109 Cb -0.04 0.49 0.00 0.00 -4.31 0.00 0.00 34.13 30.27 1zup s GLU 109 CO 0.47 -0.79 0.00 0.41 0.01 0.00 0.00 175.26 175.36 1zup n GLY 110 N -0.59 1.09 2.95 -1.39 0.00 -1.26 -4.95 105.19 101.04 1zup n GLY 110 Ca -0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1zup n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zup s TYR 111 N 0.00 0.15 -0.09 1.61 1.51 -1.26 -1.59 117.35 117.67 1zup s TYR 111 Ca 0.00 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1zup s TYR 111 Cb 0.00 -0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 41.72 1zup s TYR 111 CO 0.00 -0.13 -0.11 -1.83 -1.11 0.00 0.00 175.55 172.37 1zup s GLU 112 N -0.93 2.98 -0.18 -0.62 1.03 -0.09 -4.91 118.70 115.98 1zup s GLU 112 Ca -0.10 -0.64 -0.09 0.00 0.03 0.00 0.00 54.97 54.18 1zup s GLU 112 Cb -0.06 -2.57 -0.05 0.00 -0.80 0.00 0.00 34.13 30.65 1zup s GLU 112 CO -0.00 0.46 0.11 -2.00 -1.33 0.00 0.00 175.26 172.49 1zup s GLU 113 N -0.28 4.02 -0.04 -4.83 -6.30 -1.26 -0.70 118.70 109.30 1zup s GLU 113 Ca 0.03 -0.25 -0.01 0.00 -2.50 0.00 0.00 54.97 52.23 1zup s GLU 113 Cb -0.13 -3.31 0.03 0.00 0.00 0.00 0.00 34.13 30.72 1zup s GLU 113 CO 0.03 0.35 0.05 0.08 0.02 0.00 0.00 175.26 175.78 1zup s VAL 114 N 0.19 -0.04 -1.43 3.70 1.01 -0.74 -4.83 120.40 118.26 1zup s VAL 114 Ca 0.07 0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 1zup s VAL 114 Cb -0.12 -0.19 0.04 0.00 0.00 0.00 0.00 36.38 36.12 1zup s VAL 114 CO -0.01 0.17 0.61 0.61 0.00 0.00 0.00 175.10 176.49 1zup n GLY 115 N 5.05 -0.51 2.22 4.51 0.00 -1.26 -1.12 105.19 114.08 1zup n GLY 115 Ca -0.09 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1zup n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zup n GLY 116 N -1.41 0.45 3.12 -0.02 0.00 -1.26 -5.01 105.19 101.05 1zup n GLY 116 Ca -0.06 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1zup n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zup s ILE 117 N -2.43 1.75 -0.09 -0.61 1.01 -0.27 -5.12 121.20 115.43 1zup s ILE 117 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 59.63 1zup s ILE 117 Cb 0.00 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1zup s ILE 117 CO 0.00 0.49 0.64 -1.48 0.00 0.00 0.00 174.94 174.59 1zup s LEU 118 N 0.79 4.29 -0.11 2.97 0.05 -1.26 -1.79 118.68 123.62 1zup s LEU 118 Ca -0.10 1.06 0.04 0.00 0.05 0.00 0.00 54.13 55.19 1zup s LEU 118 Cb -0.16 -2.97 0.00 0.00 -2.05 0.00 0.00 46.19 41.01 1zup s LEU 118 CO 0.01 -0.10 -0.23 -0.36 -0.55 0.00 0.00 176.35 175.11 1zup s PHE 119 N 0.87 2.58 -0.03 3.48 0.40 0.12 -4.65 117.98 120.75 1zup s PHE 119 Ca 0.34 -1.09 -0.27 0.00 -0.60 0.00 0.00 56.93 55.31 1zup s PHE 119 Cb -0.17 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 1zup s PHE 119 CO 0.15 -0.45 0.87 0.21 0.70 0.00 0.00 175.22 176.71 1zup s LYS 120 N 0.42 4.51 0.12 0.44 2.20 -0.14 -0.91 119.74 126.37 1zup s LYS 120 Ca -0.17 1.21 -0.30 0.00 -0.36 0.00 0.00 55.97 56.35 1zup s LYS 120 Cb -0.18 -3.46 -0.06 0.00 -1.51 0.00 0.00 37.83 32.62 1zup s LYS 120 CO 0.07 -0.01 1.14 0.08 -0.36 0.00 0.00 175.35 176.27 1zup s VAL 121 N 0.96 3.98 -0.04 4.02 1.01 -0.62 -0.15 120.40 129.56 1zup s VAL 121 Ca 0.46 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.98 1zup s VAL 121 Cb -0.20 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.22 1zup s VAL 121 CO 0.24 0.19 0.05 0.54 0.00 0.00 0.00 175.10 176.12 1zup s VAL 122 N 0.43 -0.05 0.00 2.92 0.11 -0.51 -4.68 120.40 118.61 1zup s VAL 122 Ca 0.54 0.36 0.04 0.00 -2.93 0.00 0.00 61.98 59.99 1zup s VAL 122 Cb -0.29 -0.18 0.06 0.00 -1.53 0.00 0.00 36.38 34.44 1zup s VAL 122 CO 0.32 0.17 0.93 2.29 -3.33 0.00 0.00 175.10 175.48 1zup n LYS 123 N 5.11 0.00 0.18 1.54 2.85 -1.26 -1.33 118.16 125.24 1zup n LYS 123 Ca -0.07 -0.95 0.03 0.00 -1.05 0.00 0.00 58.31 56.27 1zup n LYS 123 Cb 0.50 0.28 0.34 0.00 -0.65 0.00 0.00 35.03 35.50 1zup n LYS 123 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1zup h GLU 124 N 0.15 0.00 -7.28 -1.58 4.39 -1.84 -3.17 114.58 105.25 1zup h GLU 124 Ca -0.38 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 58.85 1zup h GLU 124 Cb 1.40 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 30.16 1zup h GLU 124 CO -0.16 0.41 0.18 0.20 -1.16 0.00 0.00 179.01 178.48 1zup s GLY 125 N -4.35 1.76 0.13 -3.84 0.00 -1.26 -4.66 107.32 95.10 1zup s GLY 125 Ca -0.02 -1.74 -0.04 0.00 0.00 0.00 0.00 44.72 42.92 1zup s GLY 125 CO 0.71 -1.08 1.31 0.50 0.00 0.00 0.00 173.10 174.54 1zup h LYS 126 N -0.83 0.39 -5.24 2.90 6.56 -1.91 0.64 116.57 119.08 1zup h LYS 126 Ca -0.37 -0.43 -0.44 0.00 -1.06 0.00 0.00 60.65 58.36 1zup h LYS 126 Cb 1.25 0.12 -0.14 0.00 -0.57 0.00 0.00 32.23 32.89 1zup h LYS 126 CO 0.36 1.10 -0.65 0.16 -2.06 0.00 0.00 179.45 178.36 1zup s ASP 127 N -7.07 2.23 0.00 0.86 1.47 -1.26 -4.59 116.67 108.31 1zup s ASP 127 Ca -0.06 -1.25 0.00 0.00 1.18 0.00 0.00 52.55 52.42 1zup s ASP 127 Cb 0.09 -0.06 0.00 0.00 -0.34 0.00 0.00 42.92 42.60 1zup s ASP 127 CO 0.86 -0.49 0.00 0.00 0.68 0.00 0.00 175.17 176.22 1zup n ALA 128 N -0.53 0.82 0.00 2.11 0.00 -1.26 -1.58 120.51 120.07 1zup n ALA 128 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1zup n ALA 128 Cb 0.64 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1zup n ALA 128 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1zup n GLN 130 N 0.52 0.00 -0.17 0.00 7.27 -1.26 -1.86 117.38 121.87 1zup n GLN 130 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 1zup n GLN 130 Cb 0.00 0.00 0.30 0.00 2.41 0.00 0.00 30.24 32.95 1zup n GLN 130 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1zup h SER 131 N 0.00 0.76 -0.22 1.69 0.02 -1.53 -1.77 113.55 112.50 1zup h SER 131 Ca 0.00 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1zup h SER 131 Cb 0.00 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1zup h SER 131 CO 0.00 0.54 -0.09 0.40 -1.14 0.00 0.00 176.83 176.54 1zup h ILE 132 N 0.89 1.30 -0.50 3.27 2.04 -1.65 -2.25 117.51 120.62 1zup h ILE 132 Ca 0.26 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1zup h ILE 132 Cb -0.04 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1zup h ILE 132 CO -0.06 0.35 0.28 0.44 0.00 0.00 0.00 178.15 179.16 1zup h ASP 133 N 0.17 0.61 -0.65 1.72 3.32 -1.79 -1.73 116.42 118.07 1zup h ASP 133 Ca 0.05 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1zup h ASP 133 Cb 0.57 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1zup h ASP 133 CO 0.03 0.51 0.43 -0.07 -1.72 0.00 0.00 179.24 178.42 1zup h LEU 134 N 0.66 0.73 -1.84 1.55 3.38 -1.36 -1.28 115.31 117.15 1zup h LEU 134 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1zup h LEU 134 Cb 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1zup h LEU 134 CO -0.03 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.02 1zup n TYR 135 N -4.44 0.00 0.00 1.13 9.36 -0.65 -2.09 117.16 120.46 1zup n TYR 135 Ca 0.07 -0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.06 1zup n TYR 135 Cb 0.06 -0.16 0.00 0.00 -0.63 0.00 0.00 39.34 38.61 1zup n TYR 135 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1zup n ARG 137 N 0.64 0.00 0.05 2.98 0.63 -0.48 -1.13 116.66 119.35 1zup n ARG 137 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1zup n ARG 137 Cb 0.25 0.00 0.36 0.00 0.45 0.00 0.00 32.46 33.52 1zup n ARG 137 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1zup h SER 138 N 0.00 0.38 0.04 6.15 4.64 -1.69 0.83 113.55 123.90 1zup h SER 138 Ca 0.00 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.10 1zup h SER 138 Cb 0.00 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1zup h SER 138 CO 0.00 0.45 -0.55 -0.07 -0.87 0.00 0.00 176.83 175.79 1zup h LEU 139 N 0.39 0.60 -0.47 5.97 3.38 -1.41 -1.69 115.31 122.08 1zup h LEU 139 Ca 0.09 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1zup h LEU 139 Cb 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1zup h LEU 139 CO 0.01 1.02 -0.03 -0.33 0.09 0.00 0.00 178.44 179.20 1zup h GLU 140 N 0.41 0.85 -0.19 1.13 5.08 -1.70 -1.77 114.58 118.39 1zup h GLU 140 Ca 0.01 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1zup h GLU 140 Cb 1.08 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1zup h GLU 140 CO 0.10 0.91 0.02 0.82 -1.00 0.00 0.00 179.01 179.86 1zup h ILE 141 N 0.70 0.89 -0.91 3.13 2.04 -0.65 -0.37 117.51 122.33 1zup h ILE 141 Ca 0.13 -0.03 0.16 0.00 1.00 0.00 0.00 64.86 66.12 1zup h ILE 141 Cb 0.55 0.79 -0.10 0.00 -0.74 0.00 0.00 36.82 37.33 1zup h ILE 141 CO 0.03 0.02 0.51 -0.33 0.00 0.00 0.00 178.15 178.38 1zup h GLU 142 N 0.09 0.68 -0.39 2.37 3.07 -1.19 -1.08 114.58 118.13 1zup h GLU 142 Ca 0.09 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.77 1zup h GLU 142 Cb 0.10 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1zup h GLU 142 CO -0.13 0.45 -0.29 1.49 -1.40 0.00 0.00 179.01 179.13 1zup h GLU 143 N 0.70 0.85 0.19 2.33 4.57 -0.39 -2.82 114.58 120.02 1zup h GLU 143 Ca 0.50 -0.38 0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1zup h GLU 143 Cb 0.72 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1zup h GLU 143 CO -0.36 1.02 -0.22 0.28 -1.18 0.00 0.00 179.01 178.55 1zup h VAL 144 N 0.72 0.51 -1.08 0.32 2.07 -0.09 -2.74 116.25 115.96 1zup h VAL 144 Ca 0.08 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.90 1zup h VAL 144 Cb 0.84 0.51 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 1zup h VAL 144 CO 0.07 0.00 0.69 0.03 0.02 0.00 0.00 177.57 178.38 1zup h ARG 145 N -0.46 0.34 -0.00 1.57 3.08 -1.03 0.22 114.38 118.10 1zup h ARG 145 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1zup h ARG 145 Cb 0.45 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1zup h ARG 145 CO -0.07 0.23 0.01 0.87 -1.07 0.00 0.00 179.97 179.93 1zup h LYS 146 N 0.35 0.00 -3.30 0.04 1.57 -1.24 -3.41 116.57 110.58 1zup h LYS 146 Ca 0.64 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.74 1zup h LYS 146 Cb 1.67 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.60 1zup h LYS 146 CO -0.34 0.00 -0.29 -1.01 -0.57 0.00 0.00 179.45 177.24 1zup s HIS 147 N -4.40 3.69 0.00 -1.35 3.76 0.06 -4.92 115.29 112.15 1zup s HIS 147 Ca -0.05 -3.06 0.00 0.00 -0.15 0.00 0.00 55.06 51.80 1zup s HIS 147 Cb 0.14 -3.08 0.00 0.00 1.11 0.00 0.00 32.58 30.75 1zup s HIS 147 CO 0.48 -0.71 0.00 -0.25 -0.85 0.00 0.00 174.74 173.41 1zup n ASP 149 N 2.48 0.00 -0.89 1.40 8.00 -1.26 -4.56 116.55 121.71 1zup n ASP 149 Ca 0.18 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.80 1zup n ASP 149 Cb 0.36 -0.07 0.25 0.00 -0.02 0.00 0.00 41.12 41.65 1zup n ASP 149 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1zup n LYS 150 N 0.31 2.19 -3.94 -1.24 5.02 -1.26 -4.95 118.16 114.29 1zup n LYS 150 Ca 0.00 -1.77 -0.32 0.00 -2.02 0.00 0.00 58.31 54.21 1zup n LYS 150 Cb 0.00 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.54 1zup n LYS 150 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1zup n ASN 151 N 1.05 -4.06 -4.22 4.39 2.85 -1.26 -4.98 115.26 109.03 1zup n ASN 151 Ca 0.17 -0.80 -0.26 0.00 -0.11 0.00 0.00 54.58 53.58 1zup n ASN 151 Cb 0.52 -3.29 -0.15 0.00 1.24 0.00 0.00 39.78 38.10 1zup n ASN 151 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1zup s ILE 152 N -3.22 1.58 0.25 -1.44 1.01 -1.26 -4.87 121.20 113.25 1zup s ILE 152 Ca 0.65 -0.98 -0.31 0.00 0.00 0.00 0.00 60.65 60.02 1zup s ILE 152 Cb -0.34 -1.34 -0.11 0.00 0.01 0.00 0.00 42.46 40.67 1zup s ILE 152 CO 0.80 0.34 1.62 -0.22 0.00 0.00 0.00 174.94 177.48 1zup s LEU 153 N -0.75 4.36 -0.12 2.97 2.96 -1.19 -4.37 118.68 122.54 1zup s LEU 153 Ca 0.07 2.86 0.01 0.00 -0.22 0.00 0.00 54.13 56.85 1zup s LEU 153 Cb -0.08 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1zup s LEU 153 CO 0.00 -0.90 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.36 1zup s ILE 154 N 0.50 2.95 -0.22 6.68 1.01 -0.14 -1.17 121.20 130.81 1zup s ILE 154 Ca 0.67 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 1zup s ILE 154 Cb -0.47 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 39.80 1zup s ILE 154 CO 0.41 0.53 -0.11 -0.69 0.00 0.00 0.00 174.94 175.08 1zup s VAL 155 N 0.24 2.60 -0.20 2.92 1.01 0.19 -0.47 120.40 126.68 1zup s VAL 155 Ca -0.10 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.84 1zup s VAL 155 Cb -0.16 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1zup s VAL 155 CO 0.06 0.34 0.12 -0.75 0.00 0.00 0.00 175.10 174.86 1zup s LYS 156 N 1.32 4.11 0.33 2.72 2.20 0.83 -1.35 119.74 129.90 1zup s LYS 156 Ca 0.02 -0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.08 1zup s LYS 156 Cb -0.15 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.68 1zup s LYS 156 CO -0.07 0.25 1.35 0.34 -0.36 0.00 0.00 175.35 176.86 1zup s ASP 157 N 0.48 6.69 0.00 1.43 2.15 -0.03 -1.14 116.67 126.24 1zup s ASP 157 Ca 0.07 2.75 0.00 0.00 0.43 0.00 0.00 52.55 55.79 1zup s ASP 157 Cb -0.12 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1zup s ASP 157 CO -0.00 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.00 1zup n GLY 158 N 0.87 -2.84 3.60 2.66 0.00 -0.32 -4.75 105.19 104.41 1zup n GLY 158 Ca 0.01 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 1zup n GLY 158 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1zup n PRO 159 N -0.28 0.85 -1.61 1.61 -0.02 -1.26 -2.02 135.00 132.27 1zup n PRO 159 Ca 0.00 0.33 -0.37 0.00 -2.02 0.00 0.00 63.50 61.45 1zup n PRO 159 Cb 0.00 -2.10 0.08 0.00 -0.02 0.00 0.00 33.50 31.45 1zup n PRO 159 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1zup n ALA 160 N -1.69 0.81 -2.65 3.55 0.00 -1.26 -4.70 120.51 114.57 1zup n ALA 160 Ca 0.13 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1zup n ALA 160 Cb 0.47 -2.28 -0.11 0.00 0.00 0.00 0.00 19.45 17.53 1zup n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zup s ALA 161 N -1.52 3.39 0.51 0.00 0.00 -1.26 -4.97 121.76 117.91 1zup s ALA 161 Ca 0.80 -1.61 0.31 0.00 0.00 0.00 0.00 51.96 51.46 1zup s ALA 161 Cb -0.37 -2.68 1.74 0.00 0.00 0.00 0.00 23.12 21.81 1zup s ALA 161 CO 0.43 -1.27 2.19 0.07 0.00 0.00 0.00 175.76 177.18 1zup h ARG 162 N 8.50 0.00 0.00 0.00 0.11 -1.98 0.20 114.38 121.21 1zup h ARG 162 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1zup h ARG 162 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1zup h ARG 162 CO 0.68 0.05 0.00 0.93 0.10 0.00 0.00 179.97 181.72 1zup h GLU 163 N 0.00 0.00 -2.22 0.08 3.07 -2.02 -3.33 114.58 110.16 1zup h GLU 163 Ca -0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.28 1zup h GLU 163 Cb 0.15 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 27.66 1zup h GLU 163 CO 0.01 0.00 -0.90 1.28 -1.40 0.00 0.00 179.01 178.00 1zup n LEU 164 N -2.32 1.29 -4.60 1.33 4.77 0.06 -5.12 117.00 112.41 1zup n LEU 164 Ca -0.01 -4.89 -0.38 0.00 -0.03 0.00 0.00 56.01 50.70 1zup n LEU 164 Cb 0.05 0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1zup n LEU 164 CO 0.11 2.00 0.49 -2.65 -1.33 0.00 0.00 177.39 176.01 1zup n PRO 165 N 1.57 0.94 -1.58 3.23 -0.02 -1.25 -4.40 135.00 133.48 1zup n PRO 165 Ca 0.25 0.36 -0.51 0.00 -2.02 0.00 0.00 63.50 61.57 1zup n PRO 165 Cb 0.47 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 1zup n PRO 165 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1zup n PHE 166 N -1.51 1.38 -4.95 6.00 7.35 0.40 -4.67 117.46 121.46 1zup n PHE 166 Ca 0.13 0.67 -0.28 0.00 -0.76 0.00 0.00 57.45 57.21 1zup n PHE 166 Cb 0.46 -2.30 -0.15 0.00 0.35 0.00 0.00 39.48 37.84 1zup n PHE 166 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1zup s GLU 167 N 0.15 1.69 0.26 -4.13 0.41 0.18 -4.77 118.70 112.49 1zup s GLU 167 Ca 0.81 -0.87 -0.01 0.00 -0.41 0.00 0.00 54.97 54.48 1zup s GLU 167 Cb -0.93 -1.71 0.56 0.00 -1.78 0.00 0.00 34.13 30.27 1zup s GLU 167 CO 0.49 0.46 1.72 0.93 -0.49 0.00 0.00 175.26 178.37 1zup h GLU 168 N 5.30 0.42 0.00 1.61 3.07 -1.94 0.25 114.58 123.30 1zup h GLU 168 Ca -0.42 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.35 1zup h GLU 168 Cb 1.14 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 1zup h GLU 168 CO 0.46 0.28 -2.06 0.09 -1.40 0.00 0.00 179.01 176.38 1zup n ASN 169 N -5.02 0.00 -0.09 1.42 5.03 -1.26 -4.71 115.26 110.63 1zup n ASN 169 Ca 0.17 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.53 1zup n ASN 169 Cb 0.50 1.82 -0.15 0.00 -1.02 0.00 0.00 39.78 40.92 1zup n ASN 169 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1zup n VAL 170 N -2.35 1.30 0.00 2.41 0.31 -0.58 -3.20 118.33 116.23 1zup n VAL 170 Ca -0.09 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 1zup n VAL 170 Cb 0.67 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 1zup n VAL 170 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1zup n GLY 171 N 1.81 2.12 3.82 2.92 0.00 0.78 -0.96 105.19 115.67 1zup n GLY 171 Ca -0.31 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1zup n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1zup s PRO 172 N 0.00 3.13 -0.20 1.61 0.04 -1.26 -0.65 135.00 137.67 1zup s PRO 172 Ca 0.00 1.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.02 1zup s PRO 172 Cb 0.00 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1zup s PRO 172 CO 0.00 -0.95 -0.03 0.42 0.04 0.00 0.00 177.00 176.48 1zup s ILE 173 N -2.84 3.65 0.28 0.56 -1.09 0.38 -4.75 121.20 117.38 1zup s ILE 173 Ca 0.60 -0.41 -0.29 0.00 -2.23 0.00 0.00 60.65 58.31 1zup s ILE 173 Cb -0.14 -2.65 -0.10 0.00 -1.58 0.00 0.00 42.46 37.99 1zup s ILE 173 CO 0.48 0.43 1.16 -0.83 -1.23 0.00 0.00 174.94 174.96 1zup s GLY 174 N 1.12 3.00 -0.25 6.18 0.00 -0.17 -0.12 107.32 117.09 1zup s GLY 174 Ca 0.02 0.99 0.01 0.00 0.00 0.00 0.00 44.72 45.74 1zup s GLY 174 CO 0.00 1.65 -0.05 -2.27 0.00 0.00 0.00 173.10 172.43 1zup s LEU 175 N -1.36 2.81 -0.25 0.66 2.96 -0.29 -1.27 118.68 121.94 1zup s LEU 175 Ca 0.47 -1.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.01 1zup s LEU 175 Cb -0.34 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1zup s LEU 175 CO 0.43 -0.24 0.13 -0.69 -1.32 0.00 0.00 176.35 174.66 1zup s VAL 176 N 1.33 4.96 -0.34 1.68 1.01 0.32 -1.17 120.40 128.20 1zup s VAL 176 Ca -0.05 0.05 0.13 0.00 0.00 0.00 0.00 61.98 62.11 1zup s VAL 176 Cb -0.19 -3.33 -0.17 0.00 0.00 0.00 0.00 36.38 32.69 1zup s VAL 176 CO -0.07 0.32 0.43 2.29 0.00 0.00 0.00 175.10 178.07 1zup n LYS 177 N 4.68 1.70 -3.57 2.72 2.85 -1.26 -0.97 118.16 124.32 1zup n LYS 177 Ca -0.15 -0.05 -0.41 0.00 -1.05 0.00 0.00 58.31 56.65 1zup n LYS 177 Cb 0.52 -1.20 -0.08 0.00 -0.65 0.00 0.00 35.03 33.62 1zup n LYS 177 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1zup s ASN 178 N -2.80 5.72 -0.36 -5.58 0.01 -1.26 -4.92 114.94 105.75 1zup s ASN 178 Ca 0.00 -2.14 0.07 0.00 -0.71 0.00 0.00 52.86 50.08 1zup s ASN 178 Cb 0.09 -2.00 0.64 0.00 0.41 0.00 0.00 41.25 40.39 1zup s ASN 178 CO 0.54 -0.63 1.74 2.30 -1.51 0.00 0.00 177.10 179.55 1zup n ILE 179 N 4.58 2.92 -0.16 0.60 -5.35 -1.26 -4.69 119.36 116.00 1zup n ILE 179 Ca -0.03 -2.08 -0.05 0.00 -0.27 0.00 0.00 62.75 60.32 1zup n ILE 179 Cb 0.41 -0.39 0.02 0.00 -1.74 0.00 0.00 39.64 37.93 1zup n ILE 179 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1zup h GLY 180 N 1.42 0.05 -7.13 3.28 0.00 -1.95 -3.31 103.07 95.44 1zup h GLY 180 Ca 0.41 0.32 -0.63 0.00 0.00 0.00 0.00 47.33 47.43 1zup h GLY 180 CO 0.78 -0.22 0.40 0.14 0.00 0.00 0.00 176.54 177.64 1zup s VAL 181 N -6.10 4.55 -0.08 4.60 1.01 -1.26 -0.84 120.40 122.29 1zup s VAL 181 Ca -0.14 0.09 0.14 0.00 0.00 0.00 0.00 61.98 62.07 1zup s VAL 181 Cb 0.16 -4.45 -0.16 0.00 0.00 0.00 0.00 36.38 31.93 1zup s VAL 181 CO 0.70 -0.98 0.84 0.71 0.00 0.00 0.00 175.10 176.37 1zup h THR 182 N 5.97 0.73 -0.56 3.92 1.35 -1.42 -3.48 112.91 119.42 1zup h THR 182 Ca -0.26 -2.35 -0.22 0.00 -0.55 0.00 0.00 66.41 63.03 1zup h THR 182 Cb 1.08 2.25 -0.08 0.00 -1.73 0.00 0.00 68.15 69.67 1zup h THR 182 CO 1.04 0.41 -0.20 -0.62 -0.25 0.00 0.00 175.52 175.90 1zup n GLU 183 N -3.00 -0.74 -4.25 4.72 1.02 -1.26 -4.99 120.64 112.15 1zup n GLU 183 Ca -0.11 0.85 -0.14 0.00 -0.02 0.00 0.00 57.16 57.74 1zup n GLU 183 Cb 0.91 -4.81 -0.10 0.00 -0.02 0.00 0.00 31.44 27.43 1zup n GLU 183 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1zup s LEU 184 N -2.44 1.88 0.88 -4.62 1.43 -1.26 -4.81 118.68 109.74 1zup s LEU 184 Ca 0.00 -1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 51.73 1zup s LEU 184 Cb 0.00 0.03 0.12 0.00 0.03 0.00 0.00 46.19 46.37 1zup s LEU 184 CO 0.00 -0.65 1.09 -0.94 0.23 0.00 0.00 176.35 176.08 1zup s SER 185 N -3.20 3.65 0.01 2.29 1.04 -1.25 -1.30 113.70 114.94 1zup s SER 185 Ca 0.29 1.47 -0.25 0.00 0.48 0.00 0.00 55.95 57.94 1zup s SER 185 Cb 0.07 -2.16 -0.19 0.00 0.10 0.00 0.00 66.02 63.84 1zup s SER 185 CO 0.07 -2.52 1.40 0.50 0.98 0.00 0.00 173.24 173.66 1zup h LYS 186 N -1.47 -0.02 -0.55 4.02 3.64 -1.93 0.11 116.57 120.37 1zup h LYS 186 Ca -0.49 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1zup h LYS 186 Cb 1.28 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1zup h LYS 186 CO 0.55 0.33 0.33 1.05 -2.27 0.00 0.00 179.45 179.44 1zup h GLU 187 N -0.37 0.74 -0.12 1.90 9.09 -1.97 0.46 114.58 124.31 1zup h GLU 187 Ca -0.00 -0.06 -0.22 0.00 0.05 0.00 0.00 59.36 59.13 1zup h GLU 187 Cb 0.35 -0.16 0.01 0.00 -1.65 0.00 0.00 28.75 27.30 1zup h GLU 187 CO 0.00 0.51 -0.81 -0.44 0.05 0.00 0.00 179.01 178.33 1zup h ASP 188 N 0.75 0.87 -0.55 3.06 3.32 -1.89 -3.05 116.42 118.93 1zup h ASP 188 Ca 0.20 -0.59 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 1zup h ASP 188 Cb -0.04 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1zup h ASP 188 CO -0.04 1.38 0.34 0.15 -1.72 0.00 0.00 179.24 179.35 1zup h PHE 189 N 0.49 0.72 -0.37 4.55 3.57 0.14 -2.33 116.94 123.71 1zup h PHE 189 Ca -0.06 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.55 1zup h PHE 189 Cb 1.43 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1zup h PHE 189 CO 0.08 0.49 0.28 0.87 -2.23 0.00 0.00 178.31 177.79 1zup h LYS 190 N 0.74 0.00 0.00 1.11 1.57 -0.95 -1.52 116.57 117.52 1zup h LYS 190 Ca 0.20 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1zup h LYS 190 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1zup h LYS 190 CO -0.04 0.00 -0.05 0.87 -0.57 0.00 0.00 179.45 179.66 1zup h LYS 191 N 0.00 0.00 0.00 3.15 1.57 -1.30 -3.27 116.57 116.71 1zup h LYS 191 Ca 0.17 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 1zup h LYS 191 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1zup h LYS 191 CO -0.00 0.05 -0.39 -0.07 -0.57 0.00 0.00 179.45 178.47 1zup h LEU 192 N 0.00 0.00 -0.65 2.94 3.38 -1.35 -2.69 115.31 116.93 1zup h LEU 192 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1zup h LEU 192 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1zup h LEU 192 CO 0.01 0.39 0.00 -2.11 0.09 0.00 0.00 178.44 176.81 1zup n ARG 193 N -3.64 0.13 0.00 1.13 1.85 -1.24 -1.11 116.66 113.79 1zup n ARG 193 Ca -0.01 0.44 0.12 0.00 -1.00 0.00 0.00 57.85 57.40 1zup n ARG 193 Cb 0.49 -1.79 0.16 0.00 -1.05 0.00 0.00 32.46 30.27 1zup n ARG 193 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1zup n PHE 194 N -2.04 0.00 -1.74 2.89 3.72 -1.01 -4.25 117.46 115.02 1zup n PHE 194 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1zup n PHE 194 Cb 0.16 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.60 1zup n PHE 194 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1zup n LEU 195 N -0.78 4.28 -4.97 4.37 4.77 -0.26 -5.00 117.00 119.40 1zup n LEU 195 Ca 0.09 1.18 -0.22 0.00 -0.03 0.00 0.00 56.01 57.03 1zup n LEU 195 Cb 0.38 -1.57 0.05 0.00 -2.33 0.00 0.00 43.42 39.94 1zup n LEU 195 CO 0.31 0.02 0.42 -0.54 -1.33 0.00 0.00 177.39 176.27 1zup s LYS 196 N -1.19 2.40 0.13 3.23 1.02 -1.26 -4.90 119.74 119.17 1zup s LYS 196 Ca 0.60 -0.75 -0.34 0.00 0.02 0.00 0.00 55.97 55.50 1zup s LYS 196 Cb -0.51 -2.43 -0.14 0.00 -0.52 0.00 0.00 37.83 34.23 1zup s LYS 196 CO 0.55 -0.87 1.60 1.17 -0.92 0.00 0.00 175.35 176.89 1zup n LYS 197 N -2.47 2.12 -0.79 1.68 4.81 -1.26 -1.16 118.16 121.08 1zup n LYS 197 Ca 0.09 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1zup n LYS 197 Cb 0.60 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1zup n LYS 197 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1zup n GLY 198 N 3.50 0.81 3.90 3.14 0.00 0.74 -5.02 105.19 112.27 1zup n GLY 198 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1zup n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zup s LYS 199 N -0.21 3.56 0.12 1.61 -0.14 -0.31 -4.45 119.74 119.93 1zup s LYS 199 Ca 0.00 -0.16 0.09 0.00 -1.36 0.00 0.00 55.97 54.54 1zup s LYS 199 Cb 0.00 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 33.11 1zup s LYS 199 CO 0.00 0.59 -0.22 -0.98 -0.76 0.00 0.00 175.35 173.98 1zup s ARG 200 N -2.19 1.24 1.17 1.68 1.70 -1.26 -1.86 118.95 119.43 1zup s ARG 200 Ca 0.33 -1.27 -0.17 0.00 -0.47 0.00 0.00 55.73 54.16 1zup s ARG 200 Cb -0.13 -1.52 0.27 0.00 -0.57 0.00 0.00 34.95 33.00 1zup s ARG 200 CO 0.21 0.35 1.07 -1.54 -1.08 0.00 0.00 175.30 174.31 1zup s SER 201 N -2.11 1.11 0.00 -2.89 1.04 0.79 -4.84 113.70 106.79 1zup s SER 201 Ca 0.11 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1zup s SER 201 Cb -0.09 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.61 1zup s SER 201 CO 0.05 -4.04 0.00 0.29 0.98 0.00 0.00 173.24 170.52 1zup n LYS 202 N -4.75 0.00 0.00 4.02 5.02 -1.26 -4.65 118.16 116.54 1zup n LYS 202 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1zup n LYS 202 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 1zup n LYS 202 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1zup n PHE 204 N 0.00 0.00 -4.40 2.13 -1.74 0.30 -4.62 117.46 109.13 1zup n PHE 204 Ca 0.00 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.62 1zup n PHE 204 Cb 0.00 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 40.88 1zup n PHE 204 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1zup s VAL 205 N -2.00 2.27 0.12 1.97 -7.23 -0.48 -1.31 120.40 113.74 1zup s VAL 205 Ca 0.00 -1.92 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 1zup s VAL 205 Cb 0.00 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 1zup s VAL 205 CO 0.00 -0.06 1.68 0.77 -0.31 0.00 0.00 175.10 177.18 1zup h SER 206 N 3.45 0.38 0.00 4.85 4.64 -1.60 -3.42 113.55 121.85 1zup h SER 206 Ca -0.48 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1zup h SER 206 Cb 1.20 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1zup h SER 206 CO 0.45 0.41 0.00 -0.24 -0.87 0.00 0.00 176.83 176.58 1zup n SER 207 N -4.78 -0.31 -1.97 4.97 2.88 -1.26 -5.02 113.62 108.12 1zup n SER 207 Ca -0.02 0.09 -0.05 0.00 -1.33 0.00 0.00 58.87 57.56 1zup n SER 207 Cb 0.11 0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 64.11 1zup n SER 207 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1zup n LEU 212 N -2.62 -0.09 -4.68 2.46 4.77 -1.25 -4.92 117.00 110.66 1zup n LEU 212 Ca 0.00 0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.77 1zup n LEU 212 Cb 0.00 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 40.35 1zup n LEU 212 CO 0.00 0.01 -0.33 -0.75 -1.33 0.00 0.00 177.39 174.99 1zup s LYS 213 N -3.26 2.66 -0.04 3.23 2.36 -1.20 -4.94 119.74 118.55 1zup s LYS 213 Ca 0.09 -0.73 -0.17 0.00 -2.55 0.00 0.00 55.97 52.61 1zup s LYS 213 Cb -0.05 -2.60 -0.05 0.00 -1.05 0.00 0.00 37.83 34.08 1zup s LYS 213 CO 0.11 0.58 0.47 0.21 1.55 0.00 0.00 175.35 178.27 1zup s LYS 214 N -1.91 4.16 0.02 4.03 2.20 -1.26 -0.81 119.74 126.17 1zup s LYS 214 Ca 0.22 0.49 0.08 0.00 -0.36 0.00 0.00 55.97 56.40 1zup s LYS 214 Cb -0.12 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1zup s LYS 214 CO 0.14 0.44 -0.24 0.54 -0.36 0.00 0.00 175.35 175.87 1zup s VAL 215 N -0.32 2.27 0.05 4.02 0.11 0.29 -1.49 120.40 125.33 1zup s VAL 215 Ca 0.26 -1.26 -0.10 0.00 -2.93 0.00 0.00 61.98 57.95 1zup s VAL 215 Cb -0.16 -1.87 0.01 0.00 -1.53 0.00 0.00 36.38 32.82 1zup s VAL 215 CO 0.13 0.42 0.21 -0.83 -3.33 0.00 0.00 175.10 171.71 1zup s GLY 216 N -1.09 0.02 -0.04 6.54 0.00 -0.42 -0.72 107.32 111.61 1zup s GLY 216 Ca 0.12 -0.32 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 1zup s GLY 216 CO 0.02 -0.50 0.27 0.00 0.00 0.00 0.00 173.10 172.89 1zup s ALA 217 N -2.90 -0.68 0.18 3.20 0.00 -0.57 -0.54 121.76 120.45 1zup s ALA 217 Ca -0.02 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.14 1zup s ALA 217 Cb 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.99 1zup s ALA 217 CO -0.06 -0.22 0.61 0.71 0.00 0.00 0.00 175.76 176.80 1zup s TYR 218 N -0.96 3.60 0.02 0.00 2.02 -1.26 -0.65 117.35 120.12 1zup s TYR 218 Ca -0.10 1.15 0.03 0.00 -0.37 0.00 0.00 57.07 57.78 1zup s TYR 218 Cb -0.05 -2.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.06 1zup s TYR 218 CO 0.03 0.38 -0.10 0.08 -1.57 0.00 0.00 175.55 174.36 1zup s VAL 219 N -1.53 0.80 -0.28 0.71 1.01 0.09 -0.15 120.40 121.06 1zup s VAL 219 Ca 0.41 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 1zup s VAL 219 Cb -0.15 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1zup s VAL 219 CO 0.20 -0.03 0.10 -0.75 0.00 0.00 0.00 175.10 174.62 1zup s LYS 220 N -0.91 3.49 0.07 2.72 2.47 -0.78 -1.14 119.74 125.65 1zup s LYS 220 Ca -0.01 -0.60 0.24 0.00 -1.56 0.00 0.00 55.97 54.04 1zup s LYS 220 Cb -0.07 -3.41 0.26 0.00 -1.46 0.00 0.00 37.83 33.15 1zup s LYS 220 CO 0.01 -0.29 1.22 1.28 0.16 0.00 0.00 175.35 177.73 1zup n LEU 221 N 4.94 0.63 -4.22 5.43 4.77 0.12 -0.18 117.00 128.49 1zup n LEU 221 Ca -0.15 0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 1zup n LEU 221 Cb 0.50 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 1zup n LEU 221 CO 0.32 0.02 -0.24 0.27 -1.33 0.00 0.00 177.39 176.43 1zup s ILE 222 N -3.14 0.09 0.53 -0.08 -4.36 -1.26 -4.57 121.20 108.41 1zup s ILE 222 Ca 0.06 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.32 1zup s ILE 222 Cb 0.15 -2.52 -0.06 0.00 1.25 0.00 0.00 42.46 41.27 1zup s ILE 222 CO 0.75 0.00 0.97 -1.81 0.24 0.00 0.00 174.94 175.09 1zup s ASP 223 N -3.19 6.48 0.00 4.36 1.01 -1.26 -4.14 116.67 119.93 1zup s ASP 223 Ca 0.39 1.45 0.00 0.00 0.71 0.00 0.00 52.55 55.10 1zup s ASP 223 Cb 0.07 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1zup s ASP 223 CO 0.13 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.46 1zup n GLY 224 N -1.94 1.49 2.25 0.21 0.00 -1.26 -4.96 105.19 100.98 1zup n GLY 224 Ca 0.06 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 1zup n GLY 224 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zup n GLU 225 N 1.57 2.48 0.00 1.61 1.02 -1.26 -4.87 120.64 121.19 1zup n GLU 225 Ca 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 57.16 54.08 1zup n GLU 225 Cb 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.22 1zup n GLU 225 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zup n GLY 226 N -0.90 2.02 0.66 0.62 0.00 -1.26 -4.71 105.19 101.61 1zup n GLY 226 Ca 0.59 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.75 1zup n GLY 226 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1zup n ILE 227 N 0.00 0.36 -2.11 -0.61 -5.35 -1.04 -4.62 119.36 106.00 1zup n ILE 227 Ca 0.00 -0.68 -0.41 0.00 -0.27 0.00 0.00 62.75 61.39 1zup n ILE 227 Cb 0.00 1.01 -0.02 0.00 -1.74 0.00 0.00 39.64 38.89 1zup n ILE 227 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1zup s ARG 228 N -1.11 4.35 0.00 6.28 3.52 -1.26 -2.31 118.95 128.42 1zup s ARG 228 Ca 0.21 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1zup s ARG 228 Cb 0.13 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1zup s ARG 228 CO 0.19 -0.19 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 1zup n GLY 229 N 0.81 2.02 3.61 8.12 0.00 -1.26 -4.75 105.19 113.73 1zup n GLY 229 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1zup n GLY 229 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zup s LEU 230 N 0.00 4.10 0.25 0.99 2.96 -0.98 0.13 118.68 126.15 1zup s LEU 230 Ca 0.00 0.61 0.09 0.00 -0.22 0.00 0.00 54.13 54.61 1zup s LEU 230 Cb 0.00 -2.95 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 1zup s LEU 230 CO 0.00 -0.52 -0.13 0.68 -1.32 0.00 0.00 176.35 175.05 1zup s VAL 231 N 2.75 1.94 -0.16 1.68 -7.23 -0.30 -4.85 120.40 114.24 1zup s VAL 231 Ca 0.29 -2.24 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1zup s VAL 231 Cb -0.15 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 1zup s VAL 231 CO 0.11 -0.45 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.73 1zup s ARG 232 N -3.63 3.29 -0.04 4.82 3.52 -0.14 -0.73 118.95 126.04 1zup s ARG 232 Ca 0.27 -0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 55.04 1zup s ARG 232 Cb -0.01 -2.71 -0.05 0.00 -1.56 0.00 0.00 34.95 30.63 1zup s ARG 232 CO 0.11 0.02 0.31 -0.51 -0.81 0.00 0.00 175.30 174.42 1zup s LEU 233 N 0.84 4.44 0.08 -0.88 1.43 0.17 -0.52 118.68 124.24 1zup s LEU 233 Ca -0.04 0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 53.63 1zup s LEU 233 Cb -0.15 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.70 1zup s LEU 233 CO 0.00 0.35 0.51 -1.83 0.23 0.00 0.00 176.35 175.61 1zup s GLU 234 N -1.10 1.07 0.10 1.70 -1.05 -0.39 -1.51 118.70 117.51 1zup s GLU 234 Ca 0.21 -0.35 -0.16 0.00 -0.15 0.00 0.00 54.97 54.52 1zup s GLU 234 Cb -0.15 0.49 0.03 0.00 -0.44 0.00 0.00 34.13 34.06 1zup s GLU 234 CO 0.10 -0.41 0.39 -0.08 0.95 0.00 0.00 175.26 176.21 1zup s THR 235 N -2.86 0.07 0.01 1.83 -1.32 0.11 -1.00 115.64 112.48 1zup s THR 235 Ca -0.03 -0.59 -0.14 0.00 -1.21 0.00 0.00 61.69 59.72 1zup s THR 235 Cb -0.00 -1.11 -0.06 0.00 -1.51 0.00 0.00 72.50 69.82 1zup s THR 235 CO -0.05 -0.33 0.41 -0.31 -2.21 0.00 0.00 174.62 172.13 1zup s TYR 236 N -3.41 3.71 -0.05 9.09 2.02 -1.26 -0.55 117.35 126.90 1zup s TYR 236 Ca 0.01 0.98 0.04 0.00 -0.37 0.00 0.00 57.07 57.73 1zup s TYR 236 Cb 0.01 -2.28 -0.00 0.00 -0.40 0.00 0.00 41.96 39.29 1zup s TYR 236 CO -0.09 0.63 -0.19 0.54 -1.57 0.00 0.00 175.55 174.87 1zup s VAL 237 N -1.12 1.59 -0.08 0.71 0.11 0.01 0.15 120.40 121.77 1zup s VAL 237 Ca 0.25 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.47 1zup s VAL 237 Cb -0.16 -1.37 -0.01 0.00 -1.53 0.00 0.00 36.38 33.31 1zup s VAL 237 CO 0.14 0.45 -0.07 0.07 -3.33 0.00 0.00 175.10 172.37 1zup h LYS 238 N 6.32 0.00 -5.64 1.54 2.10 -1.86 -3.19 116.57 115.83 1zup h LYS 238 Ca -0.31 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.76 1zup h LYS 238 Cb 1.18 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.42 1zup h LYS 238 CO 0.48 0.00 -0.23 0.34 -2.00 0.00 0.00 179.45 178.04 1zup s ASP 239 N -4.74 6.58 0.35 7.07 -1.08 -1.26 -4.46 116.67 119.13 1zup s ASP 239 Ca -0.06 0.68 0.24 0.00 -0.52 0.00 0.00 52.55 52.90 1zup s ASP 239 Cb 0.01 -2.24 1.28 0.00 -1.46 0.00 0.00 42.92 40.51 1zup s ASP 239 CO 0.08 0.06 1.73 0.44 0.52 0.00 0.00 175.17 178.01 1zup h ASP 240 N 6.60 0.00 0.80 -0.34 5.19 -2.03 -0.02 116.42 126.61 1zup h ASP 240 Ca -0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1zup h ASP 240 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1zup h ASP 240 CO 0.75 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.46 1zup n ASN 241 N -2.34 0.00 0.10 6.45 4.13 -1.26 -2.35 115.26 119.99 1zup n ASN 241 Ca -0.01 0.33 0.13 0.00 1.68 0.00 0.00 54.58 56.70 1zup n ASN 241 Cb 0.05 -0.44 0.45 0.00 -1.54 0.00 0.00 39.78 38.30 1zup n ASN 241 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1zup n GLN 242 N -1.44 0.21 -0.22 3.52 6.02 -0.02 -4.32 117.38 121.14 1zup n GLN 242 Ca 0.08 0.27 0.01 0.00 -0.01 0.00 0.00 57.00 57.35 1zup n GLN 242 Cb 0.28 -1.79 0.13 0.00 1.02 0.00 0.00 30.24 29.88 1zup n GLN 242 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1zup h ILE 243 N 0.00 0.76 -0.99 5.09 1.08 -1.64 -0.77 117.51 121.05 1zup h ILE 243 Ca 0.00 -0.15 0.20 0.00 -0.39 0.00 0.00 64.86 64.52 1zup h ILE 243 Cb 0.59 0.28 -0.10 0.00 -3.07 0.00 0.00 36.82 34.52 1zup h ILE 243 CO 0.00 0.08 0.62 -0.65 -0.69 0.00 0.00 178.15 177.51 1zup h PRO 244 N 0.45 0.63 -0.27 2.37 0.11 -1.82 0.40 132.00 133.87 1zup h PRO 244 Ca 0.33 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.21 1zup h PRO 244 Cb 0.42 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1zup h PRO 244 CO -0.32 0.42 -0.58 1.88 -0.21 0.00 0.00 178.00 179.19 1zup h TYR 245 N 0.65 1.07 -0.43 0.65 0.05 -1.43 -2.60 116.97 114.94 1zup h TYR 245 Ca 0.56 -0.40 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 1zup h TYR 245 Cb 1.03 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 1zup h TYR 245 CO -0.00 1.22 0.02 0.82 -1.05 0.00 0.00 178.16 179.16 1zup h ILE 246 N 0.64 1.26 -0.81 -2.88 2.04 -1.01 -2.39 117.51 114.36 1zup h ILE 246 Ca 0.01 -1.00 0.12 0.00 1.00 0.00 0.00 64.86 64.99 1zup h ILE 246 Cb 1.19 1.06 -0.09 0.00 -0.74 0.00 0.00 36.82 38.25 1zup h ILE 246 CO 0.13 0.34 0.42 -0.09 0.00 0.00 0.00 178.15 178.95 1zup h ARG 247 N 0.59 0.62 -0.37 2.37 2.43 -0.86 0.61 114.38 119.77 1zup h ARG 247 Ca 0.12 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1zup h ARG 247 Cb 0.46 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1zup h ARG 247 CO 0.02 0.41 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.45 1zup h LYS 248 N 0.64 0.80 -0.88 0.20 3.64 -1.19 -1.26 116.57 118.52 1zup h LYS 248 Ca 0.42 -0.37 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1zup h LYS 248 Cb 0.53 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 1zup h LYS 248 CO -0.32 1.00 0.58 0.28 -2.27 0.00 0.00 179.45 178.71 1zup h VAL 249 N 0.59 1.20 -0.44 2.00 2.07 -0.92 0.19 116.25 120.94 1zup h VAL 249 Ca 0.08 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1zup h VAL 249 Cb 0.78 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1zup h VAL 249 CO 0.06 0.21 -0.05 -0.26 0.02 0.00 0.00 177.57 177.56 1zup h PHE 250 N 1.16 0.90 -0.97 1.57 -1.00 -0.68 0.19 116.94 118.12 1zup h PHE 250 Ca 0.33 -0.17 0.07 0.00 2.81 0.00 0.00 57.97 61.01 1zup h PHE 250 Cb -0.09 -0.23 -0.07 0.00 3.61 0.00 0.00 35.95 39.17 1zup h PHE 250 CO -0.01 0.89 0.62 -0.44 -1.61 0.00 0.00 178.31 177.76 1zup h ASP 251 N 0.65 0.98 0.36 2.17 3.32 -0.96 -0.99 116.42 121.94 1zup h ASP 251 Ca 0.12 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.93 1zup h ASP 251 Cb 0.56 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.93 1zup h ASP 251 CO 0.03 0.61 -1.09 0.44 -1.72 0.00 0.00 179.24 177.51 1zup h ASP 252 N 1.11 0.59 -0.27 6.45 3.32 -0.44 -2.29 116.42 124.89 1zup h ASP 252 Ca 0.43 -0.53 -0.10 0.00 0.02 0.00 0.00 57.03 56.85 1zup h ASP 252 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1zup h ASP 252 CO -0.18 1.36 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.41 1zup h LEU 253 N 0.20 0.65 -1.13 1.55 3.38 -0.93 -0.17 115.31 118.85 1zup h LEU 253 Ca -0.12 -0.45 0.12 0.00 0.09 0.00 0.00 57.88 57.51 1zup h LEU 253 Cb 1.76 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 42.26 1zup h LEU 253 CO 0.19 0.97 0.60 0.00 0.09 0.00 0.00 178.44 180.29 1zup h ALA 254 N 0.70 1.63 -0.10 1.53 0.00 -1.18 0.12 119.26 121.96 1zup h ALA 254 Ca 0.05 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1zup h ALA 254 Cb 0.76 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1zup h ALA 254 CO 0.06 0.14 -0.70 -0.22 0.00 0.00 0.00 179.25 178.53 1zup h LYS 255 N 0.89 0.66 0.11 0.00 3.64 -1.22 -3.40 116.57 117.25 1zup h LYS 255 Ca 0.46 -0.57 -0.25 0.00 -1.27 0.00 0.00 60.65 59.02 1zup h LYS 255 Cb 0.52 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1zup h LYS 255 CO -0.22 1.18 -1.27 1.15 -2.27 0.00 0.00 179.45 178.02 1zup h THR 256 N 0.32 1.12 -0.78 1.00 2.02 -0.63 -3.39 112.91 112.57 1zup h THR 256 Ca -0.06 -2.41 0.05 0.00 0.77 0.00 0.00 66.41 64.76 1zup h THR 256 Cb 1.34 2.79 -0.05 0.00 -1.74 0.00 0.00 68.15 70.50 1zup h THR 256 CO 0.14 0.68 0.51 -0.07 0.37 0.00 0.00 175.52 177.16 1zup h LEU 257 N -0.37 0.78 -1.87 2.58 3.38 -0.97 -1.21 115.31 117.62 1zup h LEU 257 Ca -0.27 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1zup h LEU 257 Cb 1.69 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1zup h LEU 257 CO 0.06 0.52 0.19 -0.65 0.09 0.00 0.00 178.44 178.65 1zup h PRO 258 N 0.89 0.16 0.00 1.13 0.11 -1.78 -0.85 132.00 131.66 1zup h PRO 258 Ca 0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1zup h PRO 258 Cb 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1zup h PRO 258 CO -0.10 0.10 0.00 0.72 -0.21 0.00 0.00 178.00 178.51 1zup n HIS 259 N -4.49 0.00 -0.70 0.65 8.25 -0.46 -2.71 115.22 115.77 1zup n HIS 259 Ca 0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.56 1zup n HIS 259 Cb 0.23 -0.43 0.21 0.00 1.12 0.00 0.00 29.99 31.12 1zup n HIS 259 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1zup n LEU 260 N -1.43 3.39 -4.76 2.41 4.77 -0.33 -4.98 117.00 116.08 1zup n LEU 260 Ca 0.05 -2.66 -0.23 0.00 -0.03 0.00 0.00 56.01 53.13 1zup n LEU 260 Cb 0.15 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1zup n LEU 260 CO 0.13 0.69 -0.14 0.42 -1.33 0.00 0.00 177.39 177.15 1zup s THR 261 N -2.17 2.57 0.14 -5.08 -4.23 -1.10 0.04 115.64 105.80 1zup s THR 261 Ca 0.34 -1.63 0.11 0.00 -1.18 0.00 0.00 61.69 59.32 1zup s THR 261 Cb 0.25 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1zup s THR 261 CO 0.10 -0.05 -0.25 0.00 -0.54 0.00 0.00 174.62 173.88 1zup s ALA 262 N -2.53 2.32 -0.49 3.99 0.00 -1.26 -4.91 121.76 118.88 1zup s ALA 262 Ca 0.41 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1zup s ALA 262 Cb 0.01 -0.35 0.13 0.00 0.00 0.00 0.00 23.12 22.91 1zup s ALA 262 CO 0.24 0.49 0.23 0.34 0.00 0.00 0.00 175.76 177.06 1zup s ASP 263 N -2.16 4.61 0.08 0.00 2.15 -1.26 -4.99 116.67 115.10 1zup s ASP 263 Ca 0.14 -2.73 0.00 0.00 0.43 0.00 0.00 52.55 50.39 1zup s ASP 263 Cb -0.10 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 1zup s ASP 263 CO 0.06 -0.30 0.00 0.18 -0.17 0.00 0.00 175.17 174.94 1zup n LEU 264 N 3.52 0.02 -0.07 -1.34 4.77 -1.26 -5.12 117.00 117.52 1zup n LEU 264 Ca 0.05 0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1zup n LEU 264 Cb 0.36 0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1zup n LEU 264 CO 0.31 -0.59 -0.38 -0.81 -1.33 0.00 0.00 177.39 174.59 1zup n PRO 265 N -2.80 0.44 0.00 3.23 -0.04 -1.26 -5.33 135.00 129.24 1zup n PRO 265 Ca 0.00 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1zup n PRO 265 Cb 0.00 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1zup n PRO 265 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1zup n ASN 272 N -4.48 0.00 -4.81 3.54 5.03 -1.26 -5.23 115.26 108.05 1zup n ASN 272 Ca -0.08 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.05 1zup n ASN 272 Cb 0.29 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.06 1zup n ASN 272 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1zup s ILE 273 N 0.00 3.95 0.08 2.41 -4.36 -1.26 -4.79 121.20 117.22 1zup s ILE 273 Ca 0.00 0.89 -0.21 0.00 -0.26 0.00 0.00 60.65 61.07 1zup s ILE 273 Cb 0.00 -3.44 -0.11 0.00 1.25 0.00 0.00 42.46 40.16 1zup s ILE 273 CO 0.00 -0.58 1.57 -0.07 0.24 0.00 0.00 174.94 176.10 1zup h LEU 274 N 0.37 0.24 -0.95 0.37 3.38 -0.74 -1.15 115.31 116.83 1zup h LEU 274 Ca -0.46 -0.22 0.17 0.00 0.09 0.00 0.00 57.88 57.45 1zup h LEU 274 Cb 1.21 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 1zup h LEU 274 CO 0.58 0.40 0.55 -0.65 0.09 0.00 0.00 178.44 179.41 1zup h PRO 275 N 0.07 0.71 -0.39 1.13 0.11 -1.96 -0.62 132.00 131.06 1zup h PRO 275 Ca 0.05 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 1zup h PRO 275 Cb 0.25 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1zup h PRO 275 CO -0.00 0.47 -0.31 0.82 -0.21 0.00 0.00 178.00 178.77 1zup h ILE 276 N 0.73 1.28 -0.60 4.15 2.04 -1.78 -0.83 117.51 122.51 1zup h ILE 276 Ca 0.53 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.94 1zup h ILE 276 Cb 0.77 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1zup h ILE 276 CO -0.37 0.49 0.37 -0.61 0.00 0.00 0.00 178.15 178.04 1zup h GLN 277 N 0.72 0.72 -0.63 2.37 4.15 -0.68 0.16 115.11 121.92 1zup h GLN 277 Ca 0.08 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1zup h GLN 277 Cb 0.87 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 1zup h GLN 277 CO 0.08 0.47 0.06 0.35 -1.93 0.00 0.00 178.83 177.86 1zup h PHE 278 N 0.74 1.15 -0.24 3.99 3.57 -0.99 -1.89 116.94 123.28 1zup h PHE 278 Ca 0.23 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1zup h PHE 278 Cb -0.00 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1zup h PHE 278 CO -0.05 0.99 0.15 1.25 -2.23 0.00 0.00 178.31 178.42 1zup h LEU 279 N 0.98 0.24 -0.38 0.59 5.85 -0.74 -1.46 115.31 120.40 1zup h LEU 279 Ca 0.18 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1zup h LEU 279 Cb 0.50 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1zup h LEU 279 CO 0.02 0.18 0.02 -0.33 -0.34 0.00 0.00 178.44 177.99 1zup h GLU 280 N 0.30 0.65 -0.41 1.25 5.08 -0.89 0.88 114.58 121.43 1zup h GLU 280 Ca 0.09 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1zup h GLU 280 Cb -0.02 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1zup h GLU 280 CO -0.03 0.74 0.18 1.49 -1.00 0.00 0.00 179.01 180.39 1zup h GLU 281 N 0.48 0.36 -0.46 2.33 4.57 -1.33 -0.78 114.58 119.75 1zup h GLU 281 Ca 0.11 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1zup h GLU 281 Cb 0.43 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1zup h GLU 281 CO 0.01 0.24 0.06 -0.91 -1.18 0.00 0.00 179.01 177.23 1zup h ASN 282 N 0.37 0.75 -0.78 1.04 2.35 -0.93 -2.79 115.58 115.59 1zup h ASN 282 Ca 0.18 -0.27 0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1zup h ASN 282 Cb 0.13 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.23 1zup h ASN 282 CO -0.15 0.83 0.45 -0.07 -1.65 0.00 0.00 177.43 176.83 1zup h LEU 283 N 0.64 0.67 -0.63 1.61 3.38 -0.45 -2.37 115.31 118.16 1zup h LEU 283 Ca 0.14 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1zup h LEU 283 Cb 0.40 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1zup h LEU 283 CO 0.01 0.41 0.00 -1.20 0.09 0.00 0.00 178.44 177.75 1zup n SER 284 N -4.73 0.44 0.09 -0.43 7.64 -0.33 -1.68 113.62 114.62 1zup n SER 284 Ca 0.12 0.63 0.12 0.00 1.01 0.00 0.00 58.87 60.76 1zup n SER 284 Cb 0.22 -0.72 0.45 0.00 -1.01 0.00 0.00 64.21 63.16 1zup n SER 284 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zup n TYR 285 N -2.01 0.71 1.10 1.43 9.36 -0.89 -2.98 117.16 123.88 1zup n TYR 285 Ca 0.01 0.23 0.12 0.00 3.32 0.00 0.00 57.90 61.59 1zup n TYR 285 Cb 0.15 -0.87 0.17 0.00 -0.63 0.00 0.00 39.34 38.16 1zup n TYR 285 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1zup n TYR 286 N -2.10 0.00 -2.79 2.98 4.01 -0.68 -5.00 117.16 113.58 1zup n TYR 286 Ca 0.05 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.48 1zup n TYR 286 Cb 0.35 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.34 1zup n TYR 286 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1zup s LEU 287 N -2.10 3.80 0.25 7.72 1.43 -1.16 -5.01 118.68 123.62 1zup s LEU 287 Ca 0.28 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.28 1zup s LEU 287 Cb 0.20 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 42.24 1zup s LEU 287 CO 0.36 -0.42 0.96 -0.89 0.23 0.00 0.00 176.35 176.59 1zup s THR 288 N -2.40 4.01 0.23 5.49 2.01 -1.26 -4.96 115.64 118.76 1zup s THR 288 Ca 0.52 2.00 -0.32 0.00 0.31 0.00 0.00 61.69 64.21 1zup s THR 288 Cb -0.10 -4.26 -0.13 0.00 0.01 0.00 0.00 72.50 68.01 1zup s THR 288 CO 0.31 0.46 1.47 -0.67 -0.69 0.00 0.00 174.62 175.50 1zup n ASP 289 N 1.38 2.96 -0.08 3.53 2.03 -1.26 -4.91 116.55 120.21 1zup n ASP 289 Ca -0.02 1.13 -0.13 0.00 0.52 0.00 0.00 54.79 56.29 1zup n ASP 289 Cb 0.47 -1.45 -0.05 0.00 -0.72 0.00 0.00 41.12 39.37 1zup n ASP 289 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1zup h LYS 290 N 4.69 0.57 -0.18 -0.67 3.64 -1.99 -3.19 116.57 119.44 1zup h LYS 290 Ca -0.45 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 58.62 1zup h LYS 290 Cb 1.26 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1zup h LYS 290 CO 0.79 0.90 0.09 -0.97 -2.27 0.00 0.00 179.45 177.98 1zup h ASN 291 N 0.27 0.24 0.00 4.20 -0.73 -2.03 0.52 115.58 118.05 1zup h ASN 291 Ca 0.04 -0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.08 1zup h ASN 291 Cb 0.79 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.32 1zup h ASN 291 CO 0.06 0.30 0.00 0.00 -0.37 0.00 0.00 177.43 177.42 1zup n TYR 292 N -4.88 0.00 0.00 0.67 9.36 -1.21 -1.58 117.16 119.53 1zup n TYR 292 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1zup n TYR 292 Cb 0.10 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 1zup n TYR 292 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1zup n ASN 294 N -0.06 0.00 -0.03 2.98 3.02 0.17 -2.17 115.26 119.17 1zup n ASN 294 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1zup n ASN 294 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1zup n ASN 294 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1zup h THR 295 N 0.00 1.10 -0.76 3.41 2.02 -1.51 0.10 112.91 117.27 1zup h THR 295 Ca 0.00 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1zup h THR 295 Cb 0.00 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1zup h THR 295 CO 0.00 0.10 0.34 -0.09 0.37 0.00 0.00 175.52 176.23 1zup h ARG 296 N 0.13 1.11 -0.08 6.66 2.43 -1.67 -0.99 114.38 121.97 1zup h ARG 296 Ca 0.05 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1zup h ARG 296 Cb 0.09 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1zup h ARG 296 CO -0.01 0.87 0.00 -0.07 -1.51 0.00 0.00 179.97 179.25 1zup h LEU 297 N 1.09 0.13 -1.38 3.80 3.38 -1.73 -2.54 115.31 118.06 1zup h LEU 297 Ca 0.26 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1zup h LEU 297 Cb 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1zup h LEU 297 CO -0.03 0.41 0.08 -0.26 0.09 0.00 0.00 178.44 178.73 1zup h PHE 298 N -0.14 0.49 -0.17 1.13 0.04 -0.69 -0.26 116.94 117.33 1zup h PHE 298 Ca 0.02 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1zup h PHE 298 Cb 0.34 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1zup h PHE 298 CO 0.03 0.44 0.06 0.00 -0.60 0.00 0.00 178.31 178.24 1zup h ALA 299 N 1.61 0.22 0.00 2.45 0.00 -1.14 -3.28 119.26 119.12 1zup h ALA 299 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zup h ALA 299 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1zup h ALA 299 CO -0.00 -0.18 -0.56 0.66 0.00 0.00 0.00 179.25 179.17 1zup n TYR 300 N -4.85 0.37 1.73 0.00 4.02 -0.90 -5.11 117.16 112.42 1zup n TYR 300 Ca -0.04 0.11 0.14 0.00 -0.01 0.00 0.00 57.90 58.09 1zup n TYR 300 Cb 0.13 -0.53 0.82 0.00 -0.02 0.00 0.00 39.34 39.74 1zup n TYR 300 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96