#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9t n LYS 3 N 0.00 1.44 -1.70 0.54 5.02 -1.26 -4.87 118.16 117.32 2x9t n LYS 3 Ca 0.00 0.39 -0.39 0.00 -2.02 0.00 0.00 58.31 56.29 2x9t n LYS 3 Cb 0.00 -2.79 0.04 0.00 -0.02 0.00 0.00 35.03 32.26 2x9t n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2x9t n LYS 4 N 8.44 1.58 -3.75 1.97 3.00 -1.26 -4.63 118.16 123.51 2x9t n LYS 4 Ca 0.37 0.58 -0.17 0.00 -0.00 0.00 0.00 58.31 59.08 2x9t n LYS 4 Cb 0.32 -2.43 -0.17 0.00 0.00 0.00 0.00 35.03 32.75 2x9t n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2x9t s VAL 5 N -1.31 -0.04 0.46 3.15 1.01 -1.26 -0.17 120.40 122.24 2x9t s VAL 5 Ca 0.70 0.28 0.05 0.00 0.00 0.00 0.00 61.98 63.00 2x9t s VAL 5 Cb -0.44 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 2x9t s VAL 5 CO 0.51 0.13 0.03 -0.76 0.00 0.00 0.00 175.10 175.01 2x9t s LEU 6 N 1.49 2.65 -0.02 3.92 1.43 0.02 -4.91 118.68 123.28 2x9t s LEU 6 Ca -0.04 -1.46 -0.05 0.00 -1.03 0.00 0.00 54.13 51.55 2x9t s LEU 6 Cb -0.13 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.22 2x9t s LEU 6 CO -0.03 -0.64 0.11 0.42 0.23 0.00 0.00 176.35 176.44 2x9t s THR 7 N -2.77 0.05 -0.01 5.49 -4.23 -1.26 0.72 115.64 113.62 2x9t s THR 7 Ca 0.23 -0.43 -0.15 0.00 -1.18 0.00 0.00 61.69 60.16 2x9t s THR 7 Cb 0.06 -0.31 0.05 0.00 1.34 0.00 0.00 72.50 73.64 2x9t s THR 7 CO 0.12 -0.24 0.69 0.61 -0.54 0.00 0.00 174.62 175.27 2x9t n GLY 8 N 2.12 0.40 3.90 3.99 0.00 0.74 -4.55 105.19 111.78 2x9t n GLY 8 Ca -0.19 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 2x9t n GLY 8 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x9t s VAL 9 N -2.08 5.04 -0.43 1.61 -7.23 -1.05 0.19 120.40 116.46 2x9t s VAL 9 Ca 0.16 0.11 -0.18 0.00 -1.81 0.00 0.00 61.98 60.27 2x9t s VAL 9 Cb -0.00 -3.69 0.02 0.00 0.56 0.00 0.00 36.38 33.27 2x9t s VAL 9 CO -0.00 -0.19 0.49 -0.69 -0.31 0.00 0.00 175.10 174.39 2x9t s VAL 10 N -1.94 5.02 -0.51 1.32 1.01 -0.24 0.63 120.40 125.69 2x9t s VAL 10 Ca 0.44 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.18 2x9t s VAL 10 Cb -0.11 -4.09 0.44 0.00 0.00 0.00 0.00 36.38 32.63 2x9t s VAL 10 CO 0.27 -0.48 1.62 1.33 0.00 0.00 0.00 175.10 177.84 2x9t n VAL 11 N 5.53 3.08 0.00 2.92 0.24 0.21 -3.02 118.33 127.29 2x9t n VAL 11 Ca -0.06 -3.74 0.00 0.00 -2.04 0.00 0.00 64.34 58.50 2x9t n VAL 11 Cb 0.47 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 2x9t n VAL 11 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2x9t n SER 12 N -0.76 0.00 0.00 -1.34 2.88 -1.25 -4.87 113.62 108.28 2x9t n SER 12 Ca 0.52 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2x9t n SER 12 Cb 0.75 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 2x9t n SER 12 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2x9t n ASP 13 N 0.00 1.08 0.00 -3.46 5.75 -1.26 -2.62 116.55 116.04 2x9t n ASP 13 Ca 0.00 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 2x9t n ASP 13 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2x9t n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2x9t n LYS 14 N -0.16 0.00 -4.25 0.11 5.02 -1.26 -4.72 118.16 112.89 2x9t n LYS 14 Ca 0.00 0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 56.20 2x9t n LYS 14 Cb 0.17 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 2x9t n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2x9t s MET 15 N -2.27 2.36 -0.25 1.97 -1.94 -1.26 -5.08 119.30 112.84 2x9t s MET 15 Ca 0.00 -1.28 -0.29 0.00 -1.71 0.00 0.00 55.69 52.41 2x9t s MET 15 Cb 0.00 -2.26 -0.00 0.00 2.01 0.00 0.00 34.83 34.58 2x9t s MET 15 CO 0.00 0.40 1.27 -0.65 -0.01 0.00 0.00 175.02 176.03 2x9t s GLN 16 N -3.40 4.04 -1.47 2.03 -0.21 -1.26 -3.49 119.66 115.90 2x9t s GLN 16 Ca 0.30 1.38 -0.07 0.00 0.02 0.00 0.00 55.36 56.98 2x9t s GLN 16 Cb -0.08 -3.83 0.03 0.00 1.00 0.00 0.00 33.01 30.14 2x9t s GLN 16 CO 0.20 -0.96 0.72 1.63 -2.12 0.00 0.00 175.29 174.76 2x9t n LYS 17 N 7.02 -5.19 -3.68 2.91 5.02 -1.26 -4.98 118.16 118.00 2x9t n LYS 17 Ca 0.14 0.78 -0.15 0.00 -2.02 0.00 0.00 58.31 57.07 2x9t n LYS 17 Cb 0.46 -5.65 -0.08 0.00 -0.02 0.00 0.00 35.03 29.74 2x9t n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2x9t s THR 18 N -3.17 0.03 0.02 -0.18 2.01 -1.23 -2.20 115.64 110.92 2x9t s THR 18 Ca 0.41 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.18 2x9t s THR 18 Cb -0.19 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 2x9t s THR 18 CO 0.50 -0.13 -0.03 0.68 -0.69 0.00 0.00 174.62 174.95 2x9t s VAL 19 N -0.89 0.20 -0.40 3.82 -7.23 -0.68 -4.07 120.40 111.15 2x9t s VAL 19 Ca -0.09 -0.63 -0.15 0.00 -1.81 0.00 0.00 61.98 59.29 2x9t s VAL 19 Cb -0.03 -0.28 0.01 0.00 0.56 0.00 0.00 36.38 36.64 2x9t s VAL 19 CO 0.05 -0.28 0.34 -0.89 -0.31 0.00 0.00 175.10 174.01 2x9t s THR 20 N -0.91 5.20 -0.25 5.32 2.01 -1.08 -0.80 115.64 125.12 2x9t s THR 20 Ca -0.09 -0.45 -0.10 0.00 0.31 0.00 0.00 61.69 61.37 2x9t s THR 20 Cb -0.06 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2x9t s THR 20 CO -0.00 -0.29 0.15 -0.69 -0.69 0.00 0.00 174.62 173.10 2x9t s VAL 21 N 1.86 5.14 -0.20 3.82 1.01 -0.18 -0.62 120.40 131.24 2x9t s VAL 21 Ca 0.08 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 2x9t s VAL 21 Cb -0.18 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2x9t s VAL 21 CO 0.11 0.31 0.65 -0.22 0.00 0.00 0.00 175.10 175.96 2x9t s LEU 22 N 1.39 4.14 -0.10 3.92 2.96 0.20 -1.78 118.68 129.42 2x9t s LEU 22 Ca 0.07 0.87 0.04 0.00 -0.22 0.00 0.00 54.13 54.88 2x9t s LEU 22 Cb -0.15 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.62 2x9t s LEU 22 CO 0.07 -0.29 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.89 2x9t s VAL 23 N 1.95 1.98 0.49 1.68 1.01 -0.64 -2.52 120.40 124.36 2x9t s VAL 23 Ca 0.30 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.37 2x9t s VAL 23 Cb -0.16 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.52 2x9t s VAL 23 CO 0.10 0.54 0.41 -1.61 0.00 0.00 0.00 175.10 174.55 2x9t s GLU 24 N 0.38 2.35 -0.17 2.72 2.02 -1.26 -1.04 118.70 123.71 2x9t s GLU 24 Ca -0.18 -1.80 -0.32 0.00 0.02 0.00 0.00 54.97 52.68 2x9t s GLU 24 Cb -0.18 -2.23 0.14 0.00 0.10 0.00 0.00 34.13 31.96 2x9t s GLU 24 CO 0.08 -0.45 1.15 -0.98 0.02 0.00 0.00 175.26 175.08 2x9t s ARG 25 N -4.23 0.40 0.49 1.61 1.70 -0.69 -4.97 118.95 113.26 2x9t s ARG 25 Ca 0.42 -0.08 0.03 0.00 -0.47 0.00 0.00 55.73 55.63 2x9t s ARG 25 Cb -0.02 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.52 2x9t s ARG 25 CO 0.25 -0.16 0.08 -0.65 -1.08 0.00 0.00 175.30 173.75 2x9t s GLN 26 N -2.10 2.17 0.00 3.89 -0.21 -1.26 -1.74 119.66 120.42 2x9t s GLN 26 Ca 0.07 -2.25 0.00 0.00 0.02 0.00 0.00 55.36 53.20 2x9t s GLN 26 Cb -0.01 -1.68 0.00 0.00 1.00 0.00 0.00 33.01 32.32 2x9t s GLN 26 CO -0.05 -0.33 0.00 1.97 -2.12 0.00 0.00 175.29 174.76 2x9t n PHE 27 N -1.30 0.00 -2.14 0.91 1.16 -0.95 -4.97 117.46 110.17 2x9t n PHE 27 Ca -0.13 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.03 2x9t n PHE 27 Cb 0.66 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.51 2x9t n PHE 27 CO 0.00 0.00 0.00 -2.14 -1.87 0.00 0.00 176.76 172.75 2x9t s PRO 28 N -2.00 4.23 -0.03 3.97 0.02 -1.26 -1.66 135.00 138.27 2x9t s PRO 28 Ca 0.00 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 2x9t s PRO 28 Cb 0.00 -3.74 -0.07 0.00 0.02 0.00 0.00 34.50 30.71 2x9t s PRO 28 CO 0.00 -0.70 1.92 -1.58 -0.33 0.00 0.00 177.00 176.31 2x9t s HIS 29 N 3.12 1.45 0.35 6.54 2.46 -0.76 -4.85 115.29 123.60 2x9t s HIS 29 Ca 0.67 -0.15 0.31 0.00 0.47 0.00 0.00 55.06 56.36 2x9t s HIS 29 Cb -0.32 -4.13 1.10 0.00 -0.13 0.00 0.00 32.58 29.11 2x9t s HIS 29 CO 0.27 -4.89 1.01 -0.35 -2.47 0.00 0.00 174.74 168.30 2x9t n PRO 30 N 7.63 -0.00 0.00 2.88 -0.04 -1.26 -1.04 135.00 143.16 2x9t n PRO 30 Ca 0.21 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 2x9t n PRO 30 Cb 0.42 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2x9t n PRO 30 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2x9t n LEU 31 N -3.36 0.22 -1.21 1.53 7.94 -1.26 -4.82 117.00 116.04 2x9t n LEU 31 Ca 0.28 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.30 2x9t n LEU 31 Cb 1.27 0.00 0.28 0.00 0.53 0.00 0.00 43.42 45.49 2x9t n LEU 31 CO 0.26 0.04 0.74 -1.22 -1.11 0.00 0.00 177.39 176.10 2x9t n TYR 32 N -1.40 0.74 0.00 1.96 4.02 -1.07 -4.98 117.16 116.43 2x9t n TYR 32 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 2x9t n TYR 32 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 2x9t n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x9t n GLY 33 N 1.56 0.37 1.31 2.72 0.00 -0.21 -4.87 105.19 106.07 2x9t n GLY 33 Ca 0.22 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 2x9t n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x9t n LYS 34 N 0.00 0.00 -2.49 1.61 4.81 -1.26 -1.88 118.16 118.95 2x9t n LYS 34 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2x9t n LYS 34 Cb 0.00 -0.39 -0.03 0.00 0.02 0.00 0.00 35.03 34.64 2x9t n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2x9t s VAL 35 N -0.39 4.33 0.06 3.15 1.01 -1.26 -1.82 120.40 125.47 2x9t s VAL 35 Ca 0.25 1.65 0.09 0.00 0.00 0.00 0.00 61.98 63.96 2x9t s VAL 35 Cb -0.36 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2x9t s VAL 35 CO 0.22 0.01 -0.22 0.27 0.00 0.00 0.00 175.10 175.37 2x9t s ILE 36 N 2.07 2.48 -0.00 2.22 -4.36 -0.67 -4.93 121.20 118.02 2x9t s ILE 36 Ca 0.55 -1.37 0.02 0.00 -0.26 0.00 0.00 60.65 59.59 2x9t s ILE 36 Cb -0.24 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 2x9t s ILE 36 CO 0.22 0.29 -0.04 -0.75 0.24 0.00 0.00 174.94 174.90 2x9t s LYS 37 N -1.52 2.66 0.05 0.37 2.20 -1.26 -2.23 119.74 120.01 2x9t s LYS 37 Ca 0.14 -0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 54.99 2x9t s LYS 37 Cb -0.10 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2x9t s LYS 37 CO 0.05 0.62 0.20 0.50 -0.36 0.00 0.00 175.35 176.35 2x9t s ARG 38 N -1.42 0.74 0.21 4.03 6.06 -0.71 -5.00 118.95 122.87 2x9t s ARG 38 Ca 0.18 -0.72 0.03 0.00 -2.50 0.00 0.00 55.73 52.71 2x9t s ARG 38 Cb -0.11 0.31 -0.05 0.00 0.06 0.00 0.00 34.95 35.15 2x9t s ARG 38 CO 0.08 -0.22 -0.01 -1.54 -2.50 0.00 0.00 175.30 171.11 2x9t s SER 39 N -2.32 1.68 -0.13 -2.12 1.04 -1.26 -1.70 113.70 108.88 2x9t s SER 39 Ca -0.02 -1.20 -0.22 0.00 0.48 0.00 0.00 55.95 54.99 2x9t s SER 39 Cb 0.01 0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.22 2x9t s SER 39 CO -0.06 -0.52 0.55 -0.75 0.98 0.00 0.00 173.24 173.44 2x9t s LYS 40 N -3.87 0.77 -0.13 4.02 2.20 -0.20 -5.00 119.74 117.52 2x9t s LYS 40 Ca 0.27 0.47 -0.08 0.00 -0.36 0.00 0.00 55.97 56.26 2x9t s LYS 40 Cb 0.06 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 2x9t s LYS 40 CO 0.07 -0.16 0.17 0.15 -0.36 0.00 0.00 175.35 175.21 2x9t s LYS 41 N -0.39 3.64 -0.08 4.03 1.02 -1.26 -1.62 119.74 125.08 2x9t s LYS 41 Ca -0.05 -0.09 0.03 0.00 0.02 0.00 0.00 55.97 55.88 2x9t s LYS 41 Cb -0.03 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 2x9t s LYS 41 CO 0.04 0.67 -0.19 0.71 -0.92 0.00 0.00 175.35 175.66 2x9t s TYR 42 N -0.73 2.05 -0.48 3.18 1.51 -0.73 -4.96 117.35 117.18 2x9t s TYR 42 Ca 0.15 -0.79 -0.21 0.00 -1.01 0.00 0.00 57.07 55.20 2x9t s TYR 42 Cb -0.12 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.36 2x9t s TYR 42 CO 0.04 -0.34 0.69 -0.51 -1.11 0.00 0.00 175.55 174.32 2x9t s LEU 43 N 0.44 4.57 0.06 -1.29 1.43 -1.26 -1.01 118.68 121.62 2x9t s LEU 43 Ca -0.16 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 2x9t s LEU 43 Cb -0.17 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 2x9t s LEU 43 CO 0.06 -0.89 0.04 0.00 0.23 0.00 0.00 176.35 175.79 2x9t s ALA 44 N 2.96 3.42 -0.09 4.21 0.00 0.01 -4.18 121.76 128.10 2x9t s ALA 44 Ca 0.22 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 2x9t s ALA 44 Cb -0.15 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 2x9t s ALA 44 CO 0.17 0.71 1.08 -1.58 0.00 0.00 0.00 175.76 176.13 2x9t s HIS 45 N -1.28 3.40 -0.57 0.00 2.46 0.72 -1.68 115.29 118.32 2x9t s HIS 45 Ca 0.25 1.46 0.04 0.00 0.47 0.00 0.00 55.06 57.28 2x9t s HIS 45 Cb -0.12 -3.27 0.16 0.00 -0.13 0.00 0.00 32.58 29.22 2x9t s HIS 45 CO 0.18 -0.62 0.40 0.34 -2.47 0.00 0.00 174.74 172.57 2x9t s ASP 46 N 1.23 3.67 0.00 9.88 3.68 -0.93 -2.07 116.67 132.13 2x9t s ASP 46 Ca 0.51 -3.42 0.00 0.00 2.13 0.00 0.00 52.55 51.77 2x9t s ASP 46 Cb -0.21 -1.21 0.00 0.00 -1.45 0.00 0.00 42.92 40.06 2x9t s ASP 46 CO 0.19 -0.14 0.07 -0.81 0.13 0.00 0.00 175.17 174.61 2x9t n PRO 47 N 2.50 0.09 0.00 4.34 -0.04 -1.26 -1.59 135.00 139.04 2x9t n PRO 47 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2x9t n PRO 47 Cb 0.38 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 2x9t n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2x9t n GLU 48 N -0.01 0.00 -4.02 0.54 1.02 -1.26 -5.04 120.64 111.86 2x9t n GLU 48 Ca 0.00 -0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.79 2x9t n GLU 48 Cb 0.01 -0.19 -0.02 0.00 -0.02 0.00 0.00 31.44 31.22 2x9t n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2x9t n GLU 49 N 0.00 -1.55 -0.12 3.49 -0.58 -0.62 -4.86 120.64 116.39 2x9t n GLU 49 Ca 0.00 0.25 0.11 0.00 -0.42 0.00 0.00 57.16 57.10 2x9t n GLU 49 Cb 0.27 -3.72 0.16 0.00 -0.57 0.00 0.00 31.44 27.59 2x9t n GLU 49 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2x9t n LYS 50 N -4.57 2.26 -4.00 3.49 2.85 -1.26 -4.82 118.16 112.11 2x9t n LYS 50 Ca -0.22 -2.06 -0.33 0.00 -1.05 0.00 0.00 58.31 54.65 2x9t n LYS 50 Cb 0.64 -1.45 -0.14 0.00 -0.65 0.00 0.00 35.03 33.42 2x9t n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2x9t s TYR 51 N -1.53 3.31 0.00 5.58 1.51 -1.26 -5.10 117.35 119.85 2x9t s TYR 51 Ca 0.32 -2.22 0.00 0.00 -1.01 0.00 0.00 57.07 54.16 2x9t s TYR 51 Cb 0.20 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 2x9t s TYR 51 CO 0.28 -0.86 0.00 0.36 -1.11 0.00 0.00 175.55 174.22 2x9t n LYS 52 N 4.49 2.15 -1.18 -0.62 0.00 -1.26 -4.91 118.16 116.83 2x9t n LYS 52 Ca -0.12 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.86 2x9t n LYS 52 Cb 0.42 0.00 0.11 0.00 -0.00 0.00 0.00 35.03 35.57 2x9t n LYS 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2x9t s LEU 53 N 0.00 3.11 0.00 -5.58 1.02 -1.26 -3.06 118.68 112.91 2x9t s LEU 53 Ca 0.00 2.15 0.00 0.00 0.02 0.00 0.00 54.13 56.30 2x9t s LEU 53 Cb 0.00 -4.56 0.00 0.00 0.02 0.00 0.00 46.19 41.65 2x9t s LEU 53 CO 0.00 -2.44 0.00 0.61 0.02 0.00 0.00 176.35 174.54 2x9t n GLY 54 N -0.10 1.57 3.64 -3.19 0.00 -1.17 -4.48 105.19 101.47 2x9t n GLY 54 Ca 0.12 -0.16 -0.49 0.00 0.00 0.00 0.00 46.02 45.49 2x9t n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x9t n ASP 55 N 1.68 2.53 -4.33 1.61 9.92 -1.17 -2.53 116.55 124.27 2x9t n ASP 55 Ca 0.00 1.09 -0.38 0.00 -0.53 0.00 0.00 54.79 54.97 2x9t n ASP 55 Cb 0.00 -1.33 -0.12 0.00 -0.64 0.00 0.00 41.12 39.03 2x9t n ASP 55 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x9t s VAL 56 N 0.93 4.03 0.40 2.53 1.01 -0.50 -1.08 120.40 127.71 2x9t s VAL 56 Ca 0.82 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2x9t s VAL 56 Cb -0.79 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2x9t s VAL 56 CO 0.42 -0.07 0.06 0.68 0.00 0.00 0.00 175.10 176.19 2x9t s VAL 57 N 1.48 1.18 -0.08 2.92 -7.23 0.13 -1.31 120.40 117.48 2x9t s VAL 57 Ca 0.01 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2x9t s VAL 57 Cb -0.18 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 2x9t s VAL 57 CO 0.03 0.00 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.12 2x9t s GLU 58 N -3.81 2.87 0.07 4.82 2.02 -1.09 -0.19 118.70 123.39 2x9t s GLU 58 Ca 0.27 -0.61 0.10 0.00 0.02 0.00 0.00 54.97 54.74 2x9t s GLU 58 Cb 0.06 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 2x9t s GLU 58 CO 0.13 0.54 -0.26 0.42 0.02 0.00 0.00 175.26 176.10 2x9t s ILE 59 N -0.48 2.15 0.02 -1.63 -1.09 0.22 -0.51 121.20 119.88 2x9t s ILE 59 Ca 0.07 -1.47 0.08 0.00 -2.23 0.00 0.00 60.65 57.09 2x9t s ILE 59 Cb -0.12 -1.85 -0.03 0.00 -1.58 0.00 0.00 42.46 38.88 2x9t s ILE 59 CO 0.02 0.29 -0.23 -0.51 -1.23 0.00 0.00 174.94 173.28 2x9t s ILE 60 N -0.87 2.36 -0.02 2.92 2.07 -0.97 -0.80 121.20 125.90 2x9t s ILE 60 Ca 0.12 -1.20 -0.36 0.00 -1.41 0.00 0.00 60.65 57.80 2x9t s ILE 60 Cb -0.10 -1.91 -0.14 0.00 0.13 0.00 0.00 42.46 40.43 2x9t s ILE 60 CO 0.03 0.44 1.65 1.21 -1.91 0.00 0.00 174.94 176.35 2x9t n GLU 61 N 1.95 1.73 -4.49 3.50 2.13 0.76 -2.79 120.64 123.43 2x9t n GLU 61 Ca -0.17 0.63 -0.23 0.00 0.66 0.00 0.00 57.16 58.05 2x9t n GLU 61 Cb 0.52 -2.37 -0.10 0.00 0.27 0.00 0.00 31.44 29.76 2x9t n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2x9t s SER 62 N 2.25 2.60 0.25 4.31 0.01 -0.91 -4.84 113.70 117.37 2x9t s SER 62 Ca 0.88 -1.48 -0.30 0.00 1.31 0.00 0.00 55.95 56.36 2x9t s SER 62 Cb -0.82 0.13 -0.09 0.00 0.21 0.00 0.00 66.02 65.44 2x9t s SER 62 CO 0.49 -0.72 1.22 -0.60 0.41 0.00 0.00 173.24 174.05 2x9t s ARG 63 N -3.84 4.48 -0.16 12.44 3.52 -1.26 -4.59 118.95 129.53 2x9t s ARG 63 Ca 0.31 1.97 -0.41 0.00 -0.13 0.00 0.00 55.73 57.47 2x9t s ARG 63 Cb 0.07 -3.18 -0.19 0.00 -1.56 0.00 0.00 34.95 30.09 2x9t s ARG 63 CO 0.14 -0.07 1.35 -2.30 -0.81 0.00 0.00 175.30 173.62 2x9t n PRO 64 N 1.80 0.34 0.00 5.12 -0.02 -1.26 -4.76 135.00 136.22 2x9t n PRO 64 Ca 0.02 0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.69 2x9t n PRO 64 Cb 0.44 -1.67 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 2x9t n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2x9t n ILE 65 N 2.77 0.00 0.00 4.25 5.41 0.83 -5.02 119.36 127.61 2x9t n ILE 65 Ca 0.24 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.83 2x9t n ILE 65 Cb 0.06 1.00 0.00 0.00 -0.71 0.00 0.00 39.64 40.00 2x9t n ILE 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2x9t n SER 66 N -1.33 0.00 -4.58 4.38 3.41 -1.22 -4.95 113.62 109.33 2x9t n SER 66 Ca 0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.30 2x9t n SER 66 Cb 0.23 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.29 2x9t n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2x9t n LYS 67 N -0.86 0.15 0.00 4.33 4.81 -1.26 -1.99 118.16 123.33 2x9t n LYS 67 Ca 0.00 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2x9t n LYS 67 Cb 0.00 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 32.88 2x9t n LYS 67 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2x9t n ARG 68 N -2.29 0.00 -3.45 1.64 1.74 -1.26 -4.84 116.66 108.20 2x9t n ARG 68 Ca 0.11 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 2x9t n ARG 68 Cb 0.51 -2.84 -0.06 0.00 -1.02 0.00 0.00 32.46 29.04 2x9t n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2x9t s LYS 69 N 0.00 2.85 -0.20 5.56 1.02 -0.84 -4.38 119.74 123.75 2x9t s LYS 69 Ca 0.00 -1.95 0.14 0.00 0.02 0.00 0.00 55.97 54.18 2x9t s LYS 69 Cb 0.00 -4.11 0.44 0.00 -0.52 0.00 0.00 37.83 33.63 2x9t s LYS 69 CO 0.00 -1.25 1.19 0.54 -0.92 0.00 0.00 175.35 174.91 2x9t n ARG 70 N 4.71 1.80 -3.68 1.68 3.00 -1.26 -0.12 116.66 122.79 2x9t n ARG 70 Ca -0.04 -3.30 -0.10 0.00 -0.01 0.00 0.00 57.85 54.40 2x9t n ARG 70 Cb 0.41 -1.49 -0.10 0.00 0.00 0.00 0.00 32.46 31.29 2x9t n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2x9t s PHE 71 N -2.80 -0.71 0.09 -1.55 0.08 -1.26 -2.13 117.98 109.70 2x9t s PHE 71 Ca 0.39 1.51 0.01 0.00 0.12 0.00 0.00 56.93 58.96 2x9t s PHE 71 Cb 0.38 0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 43.13 2x9t s PHE 71 CO -0.06 -0.37 0.22 1.03 -0.10 0.00 0.00 175.22 175.94 2x9t s ARG 72 N 1.24 3.39 -0.41 0.44 0.52 -1.12 -0.20 118.95 122.81 2x9t s ARG 72 Ca -0.08 -0.52 -0.28 0.00 -0.52 0.00 0.00 55.73 54.34 2x9t s ARG 72 Cb -0.07 -2.99 0.02 0.00 0.52 0.00 0.00 34.95 32.44 2x9t s ARG 72 CO -0.12 0.58 1.05 0.08 0.02 0.00 0.00 175.30 176.90 2x9t s VAL 73 N -1.58 4.40 0.00 3.52 1.01 -0.88 -2.28 120.40 124.59 2x9t s VAL 73 Ca 0.34 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2x9t s VAL 73 Cb -0.12 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.78 2x9t s VAL 73 CO 0.28 -0.74 0.00 -0.11 0.00 0.00 0.00 175.10 174.52 2x9t n LEU 74 N 7.27 0.00 -4.15 3.92 -0.00 0.34 -4.96 117.00 119.40 2x9t n LEU 74 Ca 0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.00 2x9t n LEU 74 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.80 2x9t n LEU 74 CO 0.64 0.00 -0.39 0.00 -0.00 0.00 0.00 177.39 177.65 2x9t s ARG 75 N 0.00 0.79 0.23 1.96 1.70 -1.23 -4.99 118.95 117.41 2x9t s ARG 75 Ca 0.00 -1.25 -0.20 0.00 -0.47 0.00 0.00 55.73 53.82 2x9t s ARG 75 Cb 0.00 -0.22 -0.08 0.00 -0.57 0.00 0.00 34.95 34.08 2x9t s ARG 75 CO 0.00 -0.01 0.73 -1.17 -1.08 0.00 0.00 175.30 173.77 2x9t s LEU 76 N -2.82 4.34 0.00 -1.89 2.96 -1.26 -2.66 118.68 117.35 2x9t s LEU 76 Ca 0.08 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.42 2x9t s LEU 76 Cb 0.03 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.12 2x9t s LEU 76 CO -0.04 0.03 0.00 0.52 -1.32 0.00 0.00 176.35 175.54 2x9t n VAL 77 N 0.71 0.00 -3.14 1.68 0.31 -0.43 -5.00 118.33 112.46 2x9t n VAL 77 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.90 2x9t n VAL 77 Cb 0.51 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.37 2x9t n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2x9t s GLU 78 N 1.76 3.89 -0.00 5.55 -1.05 -1.24 -4.90 118.70 122.71 2x9t s GLU 78 Ca 0.00 0.25 -0.23 0.00 -0.15 0.00 0.00 54.97 54.84 2x9t s GLU 78 Cb 0.00 -3.73 -0.05 0.00 -0.44 0.00 0.00 34.13 29.91 2x9t s GLU 78 CO 0.00 -0.56 0.69 0.45 0.95 0.00 0.00 175.26 176.79 2x9t s SER 79 N 1.65 7.07 0.00 0.83 0.15 -1.26 -1.41 113.70 120.72 2x9t s SER 79 Ca 0.24 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.17 2x9t s SER 79 Cb -0.15 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2x9t s SER 79 CO 0.12 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2x9t n GLY 80 N 2.59 -1.06 2.70 9.45 0.00 -1.14 -4.86 105.19 112.87 2x9t n GLY 80 Ca -0.04 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 2x9t n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9t n ARG 81 N 0.93 1.16 0.18 1.61 5.12 -1.05 -4.87 116.66 119.74 2x9t n ARG 81 Ca 0.00 -1.90 0.10 0.00 -1.93 0.00 0.00 57.85 54.13 2x9t n ARG 81 Cb 0.00 -0.27 0.56 0.00 -1.16 0.00 0.00 32.46 31.59 2x9t n ARG 81 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 2x9t h MET 82 N 2.22 0.00 0.00 5.56 2.86 -1.93 -1.09 114.93 122.56 2x9t h MET 82 Ca -0.24 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2x9t h MET 82 Cb 1.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 2x9t h MET 82 CO -0.01 0.00 -0.13 0.38 1.06 0.00 0.00 176.91 178.21 2x9t h ASP 83 N 0.00 0.00 0.11 1.22 2.03 -1.98 -1.68 116.42 116.12 2x9t h ASP 83 Ca 0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 2x9t h ASP 83 Cb 0.20 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.68 2x9t h ASP 83 CO 0.00 0.13 -1.92 0.18 -1.03 0.00 0.00 179.24 176.60 2x9t n LEU 84 N -4.20 2.55 -0.36 0.15 4.77 -0.42 -3.48 117.00 116.01 2x9t n LEU 84 Ca -0.02 0.23 0.27 0.00 -0.03 0.00 0.00 56.01 56.45 2x9t n LEU 84 Cb 0.21 -1.10 0.53 0.00 -2.33 0.00 0.00 43.42 40.73 2x9t n LEU 84 CO 0.34 0.79 1.20 0.58 -1.33 0.00 0.00 177.39 178.96 2x9t h VAL 85 N -0.07 0.36 0.25 4.08 2.07 -1.41 0.51 116.25 122.04 2x9t h VAL 85 Ca -0.42 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2x9t h VAL 85 Cb 1.94 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2x9t h VAL 85 CO 0.05 0.06 -0.12 -0.33 0.02 0.00 0.00 177.57 177.24 2x9t h GLU 86 N 0.30 -0.32 -1.17 1.57 4.39 -1.43 0.17 114.58 118.10 2x9t h GLU 86 Ca 0.69 0.02 0.44 0.00 0.34 0.00 0.00 59.36 60.85 2x9t h GLU 86 Cb 1.83 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 30.40 2x9t h GLU 86 CO -0.41 0.04 0.70 1.63 -1.16 0.00 0.00 179.01 179.80 2x9t n LYS 87 N -5.05 -0.05 -0.03 2.33 4.76 0.16 0.69 118.16 120.97 2x9t n LYS 87 Ca -0.09 1.28 -0.00 0.00 -2.87 0.00 0.00 58.31 56.63 2x9t n LYS 87 Cb 0.26 -2.41 -0.00 0.00 -1.84 0.00 0.00 35.03 31.03 2x9t n LYS 87 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 2x9t h TYR 88 N 0.00 0.00 -1.00 2.13 3.20 -0.92 -3.12 116.97 117.26 2x9t h TYR 88 Ca 0.84 0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.92 2x9t h TYR 88 Cb 2.49 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 40.65 2x9t h TYR 88 CO -0.01 0.00 0.61 -0.07 -1.64 0.00 0.00 178.16 177.06 2x9t h LEU 89 N -0.54 0.72 -0.45 2.82 3.38 0.59 -0.00 115.31 121.82 2x9t h LEU 89 Ca 0.00 0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 2x9t h LEU 89 Cb 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2x9t h LEU 89 CO 0.00 0.22 -0.73 0.40 0.09 0.00 0.00 178.44 178.42 2x9t h ILE 90 N 0.68 1.42 0.00 1.22 1.08 0.07 -0.14 117.51 121.85 2x9t h ILE 90 Ca 0.59 -2.24 -0.07 0.00 -0.39 0.00 0.00 64.86 62.75 2x9t h ILE 90 Cb 1.02 2.19 -0.01 0.00 -3.07 0.00 0.00 36.82 36.95 2x9t h ILE 90 CO -0.38 0.66 -0.31 -0.09 -0.69 0.00 0.00 178.15 177.34 2x9t h ARG 91 N 0.18 0.00 0.00 2.37 2.43 -1.00 -1.79 114.38 116.57 2x9t h ARG 91 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2x9t h ARG 91 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2x9t h ARG 91 CO 0.12 0.31 -0.65 -2.13 -1.51 0.00 0.00 179.97 176.11 2x9t n ARG 92 N -3.62 0.18 0.03 0.20 0.63 -0.33 -3.74 116.66 110.01 2x9t n ARG 92 Ca -0.01 0.04 -0.08 0.00 -0.92 0.00 0.00 57.85 56.88 2x9t n ARG 92 Cb 0.44 -1.60 -0.13 0.00 0.45 0.00 0.00 32.46 31.62 2x9t n ARG 92 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2x9t h GLN 93 N 0.00 0.01 0.00 -0.14 4.15 -0.24 -3.27 115.11 115.61 2x9t h GLN 93 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2x9t h GLN 93 Cb 0.65 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2x9t h GLN 93 CO 0.00 0.81 0.00 0.09 -1.93 0.00 0.00 178.83 177.80 2x9t n ASN 94 N -3.24 0.03 -0.14 -0.69 3.02 -0.75 -3.19 115.26 110.29 2x9t n ASN 94 Ca -0.07 0.51 -0.09 0.00 -0.03 0.00 0.00 54.58 54.90 2x9t n ASN 94 Cb 0.99 -0.51 -0.00 0.00 -0.61 0.00 0.00 39.78 39.64 2x9t n ASN 94 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2x9t h TYR 95 N 0.00 0.64 0.00 3.10 0.05 -1.75 -1.91 116.97 117.10 2x9t h TYR 95 Ca 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2x9t h TYR 95 Cb 0.17 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2x9t h TYR 95 CO 0.00 0.56 0.37 0.93 -1.05 0.00 0.00 178.16 178.97 2x9t h GLU 96 N 0.54 0.00 -0.87 4.88 5.08 -1.81 0.24 114.58 122.63 2x9t h GLU 96 Ca 0.14 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.26 2x9t h GLU 96 Cb 0.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.29 2x9t h GLU 96 CO -0.01 0.00 0.30 0.43 -1.00 0.00 0.00 179.01 178.73 2x9t n SER 97 N -2.85 3.98 0.00 1.42 7.64 -0.72 -4.33 113.62 118.76 2x9t n SER 97 Ca -0.02 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.85 2x9t n SER 97 Cb 0.42 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 2x9t n SER 97 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2x9t n LEU 98 N -0.26 0.00 0.00 -3.43 4.77 0.85 -5.11 117.00 113.82 2x9t n LEU 98 Ca 0.36 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2x9t n LEU 98 Cb 1.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.32 2x9t n LEU 98 CO 0.38 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.90 2x9t n SER 99 N -0.79 -1.34 -2.71 -1.43 3.41 -1.24 -5.03 113.62 104.48 2x9t n SER 99 Ca 0.00 -0.08 -0.05 0.00 -0.26 0.00 0.00 58.87 58.47 2x9t n SER 99 Cb 0.10 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 2x9t n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2x9t n LYS 100 N -1.42 1.32 0.00 4.33 5.02 -1.26 -5.14 118.16 121.00 2x9t n LYS 100 Ca 0.00 -2.67 0.00 0.00 -2.02 0.00 0.00 58.31 53.62 2x9t n LYS 100 Cb 0.00 -0.79 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 2x9t n LYS 100 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75