#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eki n SER 2 N 0.00 0.57 -3.48 1.61 3.41 -1.26 -4.78 113.62 109.69 2eki n SER 2 Ca 0.00 0.67 -0.16 0.00 -0.26 0.00 0.00 58.87 59.12 2eki n SER 2 Cb 0.00 -0.78 -0.07 0.00 -0.26 0.00 0.00 64.21 63.10 2eki n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2eki s SER 3 N -4.06 1.13 0.00 4.04 1.04 -1.26 -5.00 113.70 109.59 2eki s SER 3 Ca 0.03 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.87 2eki s SER 3 Cb 0.08 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2eki s SER 3 CO 0.32 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2eki n GLY 4 N -0.54 2.67 4.00 7.32 0.00 -1.26 -5.08 105.19 112.30 2eki n GLY 4 Ca 0.04 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 2eki n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eki s SER 5 N 0.00 4.48 0.14 1.61 0.15 -1.26 -5.01 113.70 113.82 2eki s SER 5 Ca 0.00 -0.41 -0.18 0.00 0.70 0.00 0.00 55.95 56.07 2eki s SER 5 Cb 0.00 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.30 2eki s SER 5 CO 0.00 -1.76 1.75 -1.28 1.20 0.00 0.00 173.24 173.15 2eki h SER 6 N -0.41 0.11 0.00 5.45 0.87 -2.02 -3.47 113.55 114.08 2eki h SER 6 Ca -0.36 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2eki h SER 6 Cb 1.27 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2eki h SER 6 CO 0.41 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.42 2eki n GLY 7 N -1.19 2.63 2.07 5.77 0.00 -1.26 -4.86 105.19 108.35 2eki n GLY 7 Ca -0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 2eki n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2eki n TYR 8 N 0.00 -1.64 -3.10 1.61 0.18 -1.26 -4.79 117.16 108.16 2eki n TYR 8 Ca 0.00 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.34 2eki n TYR 8 Cb 0.00 -1.16 0.00 0.00 -0.38 0.00 0.00 39.34 37.80 2eki n TYR 8 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2eki n LEU 9 N -2.09 5.45 -4.53 -3.48 4.77 -1.26 -4.86 117.00 111.00 2eki n LEU 9 Ca -0.01 -4.74 -0.30 0.00 -0.03 0.00 0.00 56.01 50.92 2eki n LEU 9 Cb 0.37 -1.54 0.21 0.00 -2.33 0.00 0.00 43.42 40.12 2eki n LEU 9 CO 0.02 1.06 0.45 1.17 -1.33 0.00 0.00 177.39 178.76 2eki n LYS 10 N 4.14 -1.44 -3.82 3.23 4.81 -1.26 -4.79 118.16 119.03 2eki n LYS 10 Ca 0.31 -0.37 -0.36 0.00 -0.87 0.00 0.00 58.31 57.02 2eki n LYS 10 Cb 0.40 -2.20 -0.13 0.00 0.02 0.00 0.00 35.03 33.13 2eki n LYS 10 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2eki s LEU 11 N -6.10 3.30 -0.50 3.14 2.01 -1.26 -2.31 118.68 116.96 2eki s LEU 11 Ca 0.66 -0.25 -0.01 0.00 0.01 0.00 0.00 54.13 54.55 2eki s LEU 11 Cb -0.23 -1.87 0.13 0.00 0.01 0.00 0.00 46.19 44.23 2eki s LEU 11 CO 0.63 -0.02 0.28 -0.69 1.01 0.00 0.00 176.35 177.56 2eki s VAL 12 N 1.52 3.23 -0.01 -1.59 1.01 -0.69 -4.84 120.40 119.03 2eki s VAL 12 Ca 0.06 -2.60 -0.23 0.00 0.00 0.00 0.00 61.98 59.21 2eki s VAL 12 Cb -0.15 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2eki s VAL 12 CO 0.02 -0.76 0.67 -0.13 0.00 0.00 0.00 175.10 174.90 2eki s ARG 13 N 0.47 4.41 -0.14 2.72 0.52 -1.26 -1.74 118.95 123.93 2eki s ARG 13 Ca 0.13 0.87 -0.00 0.00 -0.52 0.00 0.00 55.73 56.21 2eki s ARG 13 Cb -0.22 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 2eki s ARG 13 CO -0.04 0.26 -0.13 0.42 0.02 0.00 0.00 175.30 175.83 2eki s ILE 14 N 0.12 2.96 -0.58 1.52 -1.09 -0.30 -1.55 121.20 122.28 2eki s ILE 14 Ca 0.35 -0.69 -0.20 0.00 -2.23 0.00 0.00 60.65 57.88 2eki s ILE 14 Cb -0.19 -2.25 0.08 0.00 -1.58 0.00 0.00 42.46 38.53 2eki s ILE 14 CO 0.19 0.52 0.76 -0.31 -1.23 0.00 0.00 174.94 174.87 2eki s TYR 15 N 0.47 2.92 0.60 3.97 2.02 0.10 -1.78 117.35 125.65 2eki s TYR 15 Ca -0.10 -0.69 -0.19 0.00 -0.37 0.00 0.00 57.07 55.72 2eki s TYR 15 Cb -0.16 -3.97 -0.03 0.00 -0.40 0.00 0.00 41.96 37.41 2eki s TYR 15 CO 0.05 -1.32 1.29 -0.08 -1.57 0.00 0.00 175.55 173.92 2eki s THR 16 N 3.09 2.20 -0.22 -0.71 -1.32 -1.26 -2.58 115.64 114.85 2eki s THR 16 Ca 0.16 0.13 -0.02 0.00 -1.21 0.00 0.00 61.69 60.76 2eki s THR 16 Cb -0.20 -3.06 0.01 0.00 -1.51 0.00 0.00 72.50 67.74 2eki s THR 16 CO 0.10 -0.02 -0.09 -0.75 -2.21 0.00 0.00 174.62 171.65 2eki s LYS 17 N -3.20 3.11 -0.17 7.08 2.20 -0.74 -3.41 119.74 124.61 2eki s LYS 17 Ca 0.78 -0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 55.31 2eki s LYS 17 Cb -0.37 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 2eki s LYS 17 CO 0.41 -0.27 1.58 -1.25 -0.36 0.00 0.00 175.35 175.46 2eki s PRO 18 N 1.38 3.96 -0.36 4.03 0.04 -1.26 -4.45 135.00 138.35 2eki s PRO 18 Ca 0.04 1.80 -0.32 0.00 0.04 0.00 0.00 61.00 62.56 2eki s PRO 18 Cb -0.15 -3.99 -0.14 0.00 0.04 0.00 0.00 34.50 30.27 2eki s PRO 18 CO -0.06 -1.09 1.44 0.36 0.04 0.00 0.00 177.00 177.68 2eki n LYS 19 N 7.37 0.00 0.00 4.56 0.00 -1.26 0.18 118.16 129.01 2eki n LYS 19 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 2eki n LYS 19 Cb 0.44 -1.07 0.00 0.00 -0.00 0.00 0.00 35.03 34.40 2eki n LYS 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2eki n GLY 20 N 4.77 2.30 3.72 2.58 0.00 -1.26 -4.98 105.19 112.31 2eki n GLY 20 Ca 0.35 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2eki n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eki s GLN 21 N 0.00 -0.35 0.31 1.61 -0.21 0.13 -5.04 119.66 116.10 2eki s GLN 21 Ca 0.00 -0.10 -0.11 0.00 0.02 0.00 0.00 55.36 55.17 2eki s GLN 21 Cb 0.00 -1.70 -0.07 0.00 1.00 0.00 0.00 33.01 32.24 2eki s GLN 21 CO 0.00 -3.13 0.66 -0.48 -2.12 0.00 0.00 175.29 170.22 2eki s LEU 22 N -6.52 4.04 0.03 2.90 0.05 -1.26 -4.14 118.68 113.78 2eki s LEU 22 Ca 0.71 1.07 -0.30 0.00 0.05 0.00 0.00 54.13 55.65 2eki s LEU 22 Cb -0.09 -3.87 -0.06 0.00 -2.05 0.00 0.00 46.19 40.11 2eki s LEU 22 CO 0.55 -0.20 1.43 -2.16 -0.55 0.00 0.00 176.35 175.41 2eki s PRO 23 N -3.19 4.28 0.55 1.48 0.04 -1.26 -4.27 135.00 132.64 2eki s PRO 23 Ca 0.50 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 63.39 2eki s PRO 23 Cb -0.11 -3.52 -0.06 0.00 0.04 0.00 0.00 34.50 30.86 2eki s PRO 23 CO 0.23 -0.57 1.04 -0.51 0.04 0.00 0.00 177.00 177.24 2eki s ASP 24 N 1.80 6.05 -0.09 6.66 1.01 -1.22 -4.98 116.67 125.90 2eki s ASP 24 Ca 0.65 1.83 0.13 0.00 0.71 0.00 0.00 52.55 55.87 2eki s ASP 24 Cb -0.33 -2.54 0.24 0.00 1.01 0.00 0.00 42.92 41.30 2eki s ASP 24 CO 0.28 -0.99 1.12 -1.22 0.21 0.00 0.00 175.17 174.57 2eki n TYR 25 N -1.63 0.00 -0.11 4.23 4.01 -1.26 -4.55 117.16 117.85 2eki n TYR 25 Ca 0.09 -0.71 -0.24 0.00 -0.16 0.00 0.00 57.90 56.88 2eki n TYR 25 Cb 0.53 -0.14 -0.11 0.00 -0.31 0.00 0.00 39.34 39.31 2eki n TYR 25 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2eki n THR 26 N -0.68 1.55 -3.47 -0.72 -2.24 -1.26 -4.72 114.28 102.74 2eki n THR 26 Ca 0.10 -0.18 -0.27 0.00 -2.27 0.00 0.00 64.05 61.43 2eki n THR 26 Cb 0.74 -1.96 -0.09 0.00 -2.10 0.00 0.00 70.33 66.92 2eki n THR 26 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2eki n SER 27 N -4.29 2.32 -3.92 3.42 2.88 -1.26 -5.11 113.62 107.66 2eki n SER 27 Ca -0.39 -3.11 -0.30 0.00 -1.33 0.00 0.00 58.87 53.75 2eki n SER 27 Cb 0.77 -0.67 0.23 0.00 -0.75 0.00 0.00 64.21 63.80 2eki n SER 27 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2eki s PRO 28 N -1.69 -1.05 -0.34 -1.46 0.04 -1.26 -4.99 135.00 124.26 2eki s PRO 28 Ca 0.35 -0.00 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 2eki s PRO 28 Cb 0.10 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 33.02 2eki s PRO 28 CO -0.09 -3.61 0.22 0.54 0.04 0.00 0.00 177.00 174.10 2eki s VAL 29 N -3.00 5.08 -0.61 -0.36 0.11 -0.74 -4.92 120.40 115.96 2eki s VAL 29 Ca 0.70 -0.32 -0.27 0.00 -2.93 0.00 0.00 61.98 59.16 2eki s VAL 29 Cb -0.11 -3.63 0.03 0.00 -1.53 0.00 0.00 36.38 31.15 2eki s VAL 29 CO 0.56 -0.02 1.18 -0.69 -3.33 0.00 0.00 175.10 172.80 2eki s VAL 30 N 1.69 4.01 -0.02 2.04 1.01 -1.26 -1.15 120.40 126.72 2eki s VAL 30 Ca 0.05 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.76 2eki s VAL 30 Cb -0.17 -4.74 -0.04 0.00 0.00 0.00 0.00 36.38 31.43 2eki s VAL 30 CO 0.09 -1.42 0.01 -0.76 0.00 0.00 0.00 175.10 173.02 2eki s LEU 31 N 4.97 3.55 0.02 3.92 1.43 -0.71 -4.99 118.68 126.87 2eki s LEU 31 Ca 0.40 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 2eki s LEU 31 Cb -0.08 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 2eki s LEU 31 CO 0.22 0.30 1.44 -2.16 0.23 0.00 0.00 176.35 176.38 2eki s PRO 32 N -1.46 4.27 0.08 1.29 0.04 -1.26 -1.70 135.00 136.26 2eki s PRO 32 Ca 0.19 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 2eki s PRO 32 Cb -0.12 -3.56 -0.07 0.00 0.04 0.00 0.00 34.50 30.79 2eki s PRO 32 CO 0.09 -0.59 1.34 -0.92 0.04 0.00 0.00 177.00 176.96 2eki h TYR 33 N 7.85 -1.02 -1.07 0.56 5.03 -1.77 0.69 116.97 127.24 2eki h TYR 33 Ca -0.39 0.04 0.36 0.00 2.58 0.00 0.00 58.73 61.33 2eki h TYR 33 Cb 1.18 0.47 -0.10 0.00 1.55 0.00 0.00 36.73 39.83 2eki h TYR 33 CO 0.75 -0.32 0.70 0.43 -1.32 0.00 0.00 178.16 178.40 2eki n SER 34 N -4.33 0.14 -3.89 -2.11 7.64 -1.26 -2.52 113.62 107.28 2eki n SER 34 Ca -0.03 0.99 -0.30 0.00 1.01 0.00 0.00 58.87 60.54 2eki n SER 34 Cb 0.22 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.79 2eki n SER 34 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2eki s ARG 35 N -4.77 1.49 -0.19 1.43 1.81 0.23 -5.07 118.95 113.89 2eki s ARG 35 Ca -0.05 -2.03 -0.01 0.00 -1.72 0.00 0.00 55.73 51.91 2eki s ARG 35 Cb 0.23 -2.88 0.05 0.00 -0.45 0.00 0.00 34.95 31.90 2eki s ARG 35 CO 0.61 -1.05 -0.01 0.95 -0.68 0.00 0.00 175.30 175.12 2eki s THR 36 N 0.50 0.94 0.06 0.02 -4.23 -1.05 -4.15 115.64 107.72 2eki s THR 36 Ca 0.14 -0.74 -0.26 0.00 -1.18 0.00 0.00 61.69 59.65 2eki s THR 36 Cb -0.22 -1.29 0.08 0.00 1.34 0.00 0.00 72.50 72.41 2eki s THR 36 CO -0.06 -0.09 0.73 0.42 -0.54 0.00 0.00 174.62 175.09 2eki s THR 37 N 1.68 0.00 0.37 3.99 -4.23 -1.26 -3.15 115.64 113.03 2eki s THR 37 Ca -0.02 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.61 2eki s THR 37 Cb -0.17 -1.00 0.34 0.00 1.34 0.00 0.00 72.50 73.01 2eki s THR 37 CO -0.07 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 176.42 2eki h VAL 38 N 2.16 0.74 0.00 2.29 2.07 -1.47 0.38 116.25 122.41 2eki h VAL 38 Ca -0.28 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2eki h VAL 38 Cb 1.26 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2eki h VAL 38 CO 0.35 0.11 -0.30 1.05 0.02 0.00 0.00 177.57 178.80 2eki h GLU 39 N 0.60 0.00 0.00 1.57 4.11 -1.84 -2.68 114.58 116.34 2eki h GLU 39 Ca 0.50 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.81 2eki h GLU 39 Cb 0.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2eki h GLU 39 CO -0.24 0.30 -0.53 0.22 0.07 0.00 0.00 179.01 178.83 2eki h ASP 40 N 0.00 0.00 0.00 3.06 3.58 -0.58 -3.03 116.42 119.46 2eki h ASP 40 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2eki h ASP 40 Cb 0.89 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 2eki h ASP 40 CO 0.04 0.53 -0.23 0.15 -2.88 0.00 0.00 179.24 176.85 2eki h PHE 41 N 0.00 0.00 -1.02 0.28 3.04 -1.30 -3.31 116.94 114.63 2eki h PHE 41 Ca -0.01 0.00 0.27 0.00 3.98 0.00 0.00 57.97 62.21 2eki h PHE 41 Cb 0.97 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 39.36 2eki h PHE 41 CO 0.00 1.05 0.61 0.00 -2.02 0.00 0.00 178.31 177.96 2eki h MET 43 N 0.50 0.72 -0.93 0.00 2.86 -1.65 0.13 114.93 116.57 2eki h MET 43 Ca 0.65 -0.05 0.17 0.00 -2.06 0.00 0.00 59.70 58.42 2eki h MET 43 Cb 1.38 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 32.80 2eki h MET 43 CO -0.46 0.49 0.60 0.87 1.06 0.00 0.00 176.91 179.47 2eki h LYS 44 N 0.74 0.62 0.00 1.72 1.79 -0.71 -3.15 116.57 117.59 2eki h LYS 44 Ca 0.20 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2eki h LYS 44 Cb -0.08 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.43 2eki h LYS 44 CO -0.04 0.41 -0.08 0.82 -1.08 0.00 0.00 179.45 179.48 2eki h ILE 45 N 0.64 0.00 -3.15 1.86 1.08 -1.25 -3.48 117.51 113.21 2eki h ILE 45 Ca 0.49 -0.48 -0.22 0.00 -0.39 0.00 0.00 64.86 64.25 2eki h ILE 45 Cb 0.89 0.00 -0.31 0.00 -3.07 0.00 0.00 36.82 34.33 2eki h ILE 45 CO -0.24 0.00 -0.55 -2.28 -0.69 0.00 0.00 178.15 174.39 2eki s HIS 46 N -1.37 -0.24 0.33 1.37 2.46 0.41 -5.02 115.29 113.24 2eki s HIS 46 Ca -0.02 0.62 0.38 0.00 0.47 0.00 0.00 55.06 56.51 2eki s HIS 46 Cb 0.00 -0.03 1.81 0.00 -0.13 0.00 0.00 32.58 34.24 2eki s HIS 46 CO 0.03 -0.20 2.14 1.57 -2.47 0.00 0.00 174.74 175.82 2eki h LYS 47 N 7.25 0.00 -0.64 2.88 2.10 -1.76 -2.23 116.57 124.17 2eki h LYS 47 Ca -0.42 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 57.86 2eki h LYS 47 Cb 1.15 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.25 2eki h LYS 47 CO 0.40 0.00 0.12 0.09 -2.00 0.00 0.00 179.45 178.06 2eki n ASN 48 N -3.06 3.86 -0.13 7.07 5.03 -1.26 -4.58 115.26 122.19 2eki n ASN 48 Ca -0.01 -3.75 -0.27 0.00 0.87 0.00 0.00 54.58 51.41 2eki n ASN 48 Cb 0.20 -0.69 -0.10 0.00 -1.02 0.00 0.00 39.78 38.16 2eki n ASN 48 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2eki n LEU 49 N -1.05 1.93 -0.38 3.41 7.94 -0.84 -4.29 117.00 123.71 2eki n LEU 49 Ca 0.45 0.37 0.38 0.00 -1.11 0.00 0.00 56.01 56.09 2eki n LEU 49 Cb 1.10 -0.87 0.64 0.00 0.53 0.00 0.00 43.42 44.82 2eki n LEU 49 CO 0.40 0.47 1.35 -0.29 -1.11 0.00 0.00 177.39 178.21 2eki h ILE 50 N -1.00 0.07 -0.49 1.96 6.09 -1.81 1.14 117.51 123.48 2eki h ILE 50 Ca -0.59 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 62.84 2eki h ILE 50 Cb 1.51 0.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.88 2eki h ILE 50 CO -0.36 0.00 0.06 0.11 -3.07 0.00 0.00 178.15 174.90 2eki h LYS 51 N 0.00 0.82 0.00 2.19 6.56 -1.89 -2.88 116.57 121.36 2eki h LYS 51 Ca 0.64 -0.23 0.00 0.00 -1.06 0.00 0.00 60.65 60.01 2eki h LYS 51 Cb 3.03 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 34.60 2eki h LYS 51 CO -0.01 0.83 -0.57 0.93 -2.06 0.00 0.00 179.45 178.57 2eki h GLU 52 N 0.69 0.00 -6.32 3.15 4.39 0.10 -3.46 114.58 113.13 2eki h GLU 52 Ca 0.15 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.31 2eki h GLU 52 Cb 0.42 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2eki h GLU 52 CO 0.01 0.00 1.14 0.12 -1.16 0.00 0.00 179.01 179.12 2eki s PHE 53 N -3.18 1.73 -0.24 4.33 2.19 -0.08 -1.22 117.98 121.51 2eki s PHE 53 Ca 0.06 -0.07 0.00 0.00 0.33 0.00 0.00 56.93 57.26 2eki s PHE 53 Cb 0.13 -4.06 -0.18 0.00 -1.31 0.00 0.00 43.02 37.59 2eki s PHE 53 CO 0.71 -4.57 -0.13 1.17 1.83 0.00 0.00 175.22 174.23 2eki n LYS 54 N 7.17 0.67 -3.64 10.12 4.81 -0.05 -4.88 118.16 132.37 2eki n LYS 54 Ca 0.18 0.17 -0.05 0.00 -0.87 0.00 0.00 58.31 57.74 2eki n LYS 54 Cb 0.42 -1.55 -0.02 0.00 0.02 0.00 0.00 35.03 33.90 2eki n LYS 54 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2eki s TYR 55 N -2.53 -0.21 -0.01 5.64 -0.85 -1.25 -4.90 117.35 113.24 2eki s TYR 55 Ca -0.33 0.00 0.04 0.00 -0.52 0.00 0.00 57.07 56.26 2eki s TYR 55 Cb 0.09 0.59 -0.01 0.00 0.38 0.00 0.00 41.96 43.00 2eki s TYR 55 CO 0.63 -0.64 -0.12 0.00 -1.52 0.00 0.00 175.55 173.90 2eki s ALA 56 N -3.10 1.03 -0.63 9.51 0.00 -0.70 -2.83 121.76 125.04 2eki s ALA 56 Ca 0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 2eki s ALA 56 Cb -0.01 -0.28 0.16 0.00 0.00 0.00 0.00 23.12 22.99 2eki s ALA 56 CO -0.03 0.24 0.53 -0.51 0.00 0.00 0.00 175.76 175.99 2eki s LEU 57 N -0.21 6.08 0.14 0.00 1.43 -1.24 -1.04 118.68 123.84 2eki s LEU 57 Ca 0.03 -2.30 -0.30 0.00 -1.03 0.00 0.00 54.13 50.53 2eki s LEU 57 Cb -0.06 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 2eki s LEU 57 CO -0.00 -0.64 0.99 -0.69 0.23 0.00 0.00 176.35 176.24 2eki s VAL 58 N 0.78 4.31 -0.49 -1.59 1.01 -1.23 -3.38 120.40 119.81 2eki s VAL 58 Ca 0.11 1.96 0.03 0.00 0.00 0.00 0.00 61.98 64.09 2eki s VAL 58 Cb -0.21 -4.25 0.13 0.00 0.00 0.00 0.00 36.38 32.05 2eki s VAL 58 CO -0.03 0.32 0.25 0.26 0.00 0.00 0.00 175.10 175.90 2eki s TRP 59 N -0.16 2.80 0.00 5.22 0.51 -0.87 -3.92 118.94 122.52 2eki s TRP 59 Ca 0.47 -2.93 0.00 0.00 -2.12 0.00 0.00 56.10 51.52 2eki s TRP 59 Cb -0.25 -2.52 0.00 0.00 -0.81 0.00 0.00 33.47 29.89 2eki s TRP 59 CO 0.31 -0.76 0.00 0.41 -0.51 0.00 0.00 176.95 176.40 2eki n GLY 60 N 3.27 1.31 0.11 0.98 0.00 -1.26 -3.85 105.19 105.75 2eki n GLY 60 Ca 0.06 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2eki n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2eki h LEU 61 N 0.00 0.16 -1.36 0.99 3.38 -1.93 -3.36 115.31 113.19 2eki h LEU 61 Ca 0.00 -0.69 0.43 0.00 0.09 0.00 0.00 57.88 57.71 2eki h LEU 61 Cb 0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.60 2eki h LEU 61 CO 0.00 1.56 0.92 -1.20 0.09 0.00 0.00 178.44 179.82 2eki n SER 62 N -4.15 0.11 -4.57 -0.43 7.64 -1.26 -4.03 113.62 106.92 2eki n SER 62 Ca -0.29 1.03 -0.34 0.00 1.01 0.00 0.00 58.87 60.28 2eki n SER 62 Cb 0.79 -0.51 -0.11 0.00 -1.01 0.00 0.00 64.21 63.36 2eki n SER 62 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2eki s VAL 63 N -4.81 3.80 0.01 0.44 -7.23 -1.26 -5.03 120.40 106.33 2eki s VAL 63 Ca -0.05 -0.43 -0.21 0.00 -1.81 0.00 0.00 61.98 59.48 2eki s VAL 63 Cb 0.25 -2.58 -0.20 0.00 0.56 0.00 0.00 36.38 34.41 2eki s VAL 63 CO 0.71 0.58 1.18 0.11 -0.31 0.00 0.00 175.10 177.37 2eki h LYS 64 N 5.56 0.34 -3.91 4.82 1.79 -1.86 -3.44 116.57 119.88 2eki h LYS 64 Ca -0.45 -0.28 -0.55 0.00 -2.18 0.00 0.00 60.65 57.19 2eki h LYS 64 Cb 1.18 0.06 -0.39 0.00 -1.58 0.00 0.00 32.23 31.50 2eki h LYS 64 CO 0.55 0.92 -0.78 -1.01 -1.08 0.00 0.00 179.45 178.06 2eki s HIS 65 N -3.62 1.56 0.22 -1.35 3.76 -1.26 -5.09 115.29 109.51 2eki s HIS 65 Ca -0.14 -1.16 0.07 0.00 -0.15 0.00 0.00 55.06 53.68 2eki s HIS 65 Cb 0.04 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.45 2eki s HIS 65 CO 0.78 -0.65 0.10 0.54 -0.85 0.00 0.00 174.74 174.65 2eki s ASN 66 N 1.68 5.17 0.24 1.40 2.20 -1.26 -3.61 114.94 120.76 2eki s ASN 66 Ca -0.02 -0.33 -0.30 0.00 -0.94 0.00 0.00 52.86 51.27 2eki s ASN 66 Cb -0.17 -1.22 -0.09 0.00 -2.00 0.00 0.00 41.25 37.76 2eki s ASN 66 CO -0.07 0.02 1.27 -2.16 -2.94 0.00 0.00 177.10 173.22 2eki s PRO 67 N -3.45 4.42 -0.15 3.55 0.04 -1.26 -5.11 135.00 133.04 2eki s PRO 67 Ca 0.31 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 2eki s PRO 67 Cb -0.08 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2eki s PRO 67 CO 0.22 -0.16 -0.11 -1.14 0.04 0.00 0.00 177.00 175.85 2eki s GLN 68 N -0.74 3.37 -0.53 4.56 0.74 -1.24 -4.99 119.66 120.83 2eki s GLN 68 Ca 0.53 -0.67 -0.28 0.00 0.05 0.00 0.00 55.36 54.99 2eki s GLN 68 Cb -0.36 -2.72 -0.00 0.00 1.10 0.00 0.00 33.01 31.02 2eki s GLN 68 CO 0.42 0.09 1.60 0.21 -0.55 0.00 0.00 175.29 177.06 2eki s LYS 69 N 0.67 3.13 0.38 1.67 2.20 -1.26 -3.53 119.74 122.99 2eki s LYS 69 Ca -0.06 0.66 0.08 0.00 -0.36 0.00 0.00 55.97 56.29 2eki s LYS 69 Cb -0.15 -4.21 -0.03 0.00 -1.51 0.00 0.00 37.83 31.93 2eki s LYS 69 CO 0.02 -2.13 0.27 0.14 -0.36 0.00 0.00 175.35 173.29 2eki s VAL 70 N 6.98 2.91 0.00 4.02 -7.23 -0.20 -4.91 120.40 121.97 2eki s VAL 70 Ca 0.61 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 2eki s VAL 70 Cb -0.13 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2eki s VAL 70 CO 0.25 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 2eki n GLY 71 N -1.36 1.66 0.01 2.32 0.00 -1.26 -1.72 105.19 104.83 2eki n GLY 71 Ca -0.00 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.57 2eki n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2eki n LYS 72 N 0.00 0.86 0.15 1.61 2.85 -1.26 -4.37 118.16 118.00 2eki n LYS 72 Ca 0.00 -0.11 0.08 0.00 -1.05 0.00 0.00 58.31 57.24 2eki n LYS 72 Cb 0.00 -1.34 0.06 0.00 -0.65 0.00 0.00 35.03 33.10 2eki n LYS 72 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2eki h ASP 73 N 0.00 0.00 -2.37 -5.58 3.58 -1.97 -3.13 116.42 106.95 2eki h ASP 73 Ca 0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 2eki h ASP 73 Cb 0.63 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.78 2eki h ASP 73 CO 0.00 0.17 0.31 1.57 -2.88 0.00 0.00 179.24 178.41 2eki n HIS 74 N -2.98 1.53 -3.04 0.28 -0.00 -1.26 -4.78 115.22 104.96 2eki n HIS 74 Ca 0.01 0.63 -0.40 0.00 0.46 0.00 0.00 57.72 58.42 2eki n HIS 74 Cb 0.62 -2.32 -0.05 0.00 -0.12 0.00 0.00 29.99 28.12 2eki n HIS 74 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2eki s THR 75 N -0.53 4.79 -0.10 3.57 2.01 -1.26 -2.00 115.64 122.12 2eki s THR 75 Ca 0.66 1.52 -0.14 0.00 0.31 0.00 0.00 61.69 64.04 2eki s THR 75 Cb -0.74 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 67.66 2eki s THR 75 CO 0.55 0.37 0.35 -0.76 -0.69 0.00 0.00 174.62 174.45 2eki s LEU 76 N -0.06 4.32 0.33 4.42 1.43 -1.19 -4.91 118.68 123.03 2eki s LEU 76 Ca 0.37 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 54.23 2eki s LEU 76 Cb -0.20 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 2eki s LEU 76 CO 0.21 0.16 0.44 -1.83 0.23 0.00 0.00 176.35 175.57 2eki s GLU 77 N -0.03 3.09 0.86 1.70 -1.05 -1.26 -4.65 118.70 117.36 2eki s GLU 77 Ca 0.20 -1.03 -0.11 0.00 -0.15 0.00 0.00 54.97 53.89 2eki s GLU 77 Cb -0.14 -2.78 0.11 0.00 -0.44 0.00 0.00 34.13 30.87 2eki s GLU 77 CO 0.08 0.09 1.14 0.16 0.95 0.00 0.00 175.26 177.68 2eki s ASP 78 N -4.14 3.47 -1.38 0.83 1.47 -1.26 -3.49 116.67 112.18 2eki s ASP 78 Ca 0.44 2.10 -0.14 0.00 1.18 0.00 0.00 52.55 56.12 2eki s ASP 78 Cb -0.09 -2.56 0.02 0.00 -0.34 0.00 0.00 42.92 39.95 2eki s ASP 78 CO 0.30 -2.73 0.37 -0.62 0.68 0.00 0.00 175.17 173.17 2eki n GLU 79 N -3.91 -1.06 -4.29 2.11 4.71 -0.60 -4.91 120.64 112.71 2eki n GLU 79 Ca 0.11 0.16 -0.21 0.00 -0.01 0.00 0.00 57.16 57.21 2eki n GLU 79 Cb 0.52 -3.38 -0.13 0.00 -1.01 0.00 0.00 31.44 27.45 2eki n GLU 79 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2eki s ASP 80 N -4.01 2.01 -0.14 1.62 -1.08 -1.20 -4.91 116.67 108.97 2eki s ASP 80 Ca 0.22 -0.60 -0.04 0.00 -0.52 0.00 0.00 52.55 51.61 2eki s ASP 80 Cb -0.11 -0.10 -0.03 0.00 -1.46 0.00 0.00 42.92 41.21 2eki s ASP 80 CO 0.96 0.01 -0.01 -0.69 0.52 0.00 0.00 175.17 175.97 2eki s VAL 81 N -1.10 4.20 -0.07 1.11 1.01 -1.25 0.03 120.40 124.32 2eki s VAL 81 Ca 0.02 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2eki s VAL 81 Cb -0.09 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2eki s VAL 81 CO 0.03 0.53 -0.18 -0.51 0.00 0.00 0.00 175.10 174.96 2eki s ILE 82 N -0.07 1.58 -0.53 2.22 2.07 -1.06 -2.04 121.20 123.36 2eki s ILE 82 Ca 0.03 -0.75 -0.11 0.00 -1.41 0.00 0.00 60.65 58.41 2eki s ILE 82 Cb -0.13 -1.38 0.13 0.00 0.13 0.00 0.00 42.46 41.22 2eki s ILE 82 CO 0.02 0.45 0.43 -1.58 -1.91 0.00 0.00 174.94 172.35 2eki s GLN 83 N 0.38 2.70 -0.21 3.50 2.00 -1.22 -1.79 119.66 125.02 2eki s GLN 83 Ca -0.13 -1.88 -0.29 0.00 -2.00 0.00 0.00 55.36 51.05 2eki s GLN 83 Cb -0.16 -4.04 -0.03 0.00 0.80 0.00 0.00 33.01 29.58 2eki s GLN 83 CO 0.05 -1.23 1.69 0.42 -0.50 0.00 0.00 175.29 175.72 2eki s ILE 84 N 1.18 3.60 -0.13 -2.34 -1.09 -1.26 -3.60 121.20 117.56 2eki s ILE 84 Ca 0.07 0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 59.13 2eki s ILE 84 Cb -0.25 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 2eki s ILE 84 CO -0.01 -0.26 -0.02 -0.69 -1.23 0.00 0.00 174.94 172.73 2eki s VAL 85 N 5.44 4.09 0.09 2.92 1.01 -1.13 -4.86 120.40 127.95 2eki s VAL 85 Ca 0.75 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 2eki s VAL 85 Cb -0.26 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 2eki s VAL 85 CO 0.31 0.54 0.31 -0.54 0.00 0.00 0.00 175.10 175.71 2eki s LYS 86 N -0.15 3.58 0.07 2.72 1.02 -1.26 -0.87 119.74 124.85 2eki s LYS 86 Ca 0.04 -0.15 -0.34 0.00 0.02 0.00 0.00 55.97 55.54 2eki s LYS 86 Cb -0.13 -2.96 -0.13 0.00 -0.52 0.00 0.00 37.83 34.09 2eki s LYS 86 CO 0.02 0.55 1.70 1.63 -0.92 0.00 0.00 175.35 178.33 2eki n LYS 87 N 0.45 2.19 -3.26 1.68 5.02 -0.36 -1.21 118.16 122.67 2eki n LYS 87 Ca -0.06 0.79 -0.20 0.00 -2.02 0.00 0.00 58.31 56.83 2eki n LYS 87 Cb 0.52 -2.60 0.06 0.00 -0.02 0.00 0.00 35.03 32.99 2eki n LYS 87 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eki n SER 88 N 4.70 -5.72 -0.72 4.39 2.88 -1.26 -4.69 113.62 113.20 2eki n SER 88 Ca 0.19 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2eki n SER 88 Cb 0.29 -4.41 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 2eki n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eki n GLY 89 N -1.67 -3.51 3.77 0.46 0.00 -0.35 -4.93 105.19 98.96 2eki n GLY 89 Ca -0.03 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 2eki n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eki s PRO 90 N -4.75 3.50 -0.21 1.61 0.04 -1.26 -4.77 135.00 129.18 2eki s PRO 90 Ca 0.00 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 2eki s PRO 90 Cb 0.00 -2.15 -0.19 0.00 0.04 0.00 0.00 34.50 32.19 2eki s PRO 90 CO 0.00 -0.74 0.10 -1.13 0.04 0.00 0.00 177.00 175.27 2eki n SER 91 N -1.00 1.95 -4.46 6.66 3.41 -1.26 -4.96 113.62 113.97 2eki n SER 91 Ca 0.10 0.31 -0.44 0.00 -0.26 0.00 0.00 58.87 58.57 2eki n SER 91 Cb 0.50 -0.87 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 2eki n SER 91 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2eki n SER 92 N -4.07 -0.57 0.00 4.04 3.41 -1.26 -5.28 113.62 109.89 2eki n SER 92 Ca -0.38 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 2eki n SER 92 Cb 0.84 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2eki n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49