#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 -1.26 -4.16 1.61 2.88 -1.26 -4.89 113.62 106.54 2eki n SER 2 Ca 0.00 -1.11 -0.26 0.00 -1.33 0.00 0.00 58.87 56.17 2eki n SER 2 Cb 0.00 -1.42 -0.16 0.00 -0.75 0.00 0.00 64.21 61.89 2eki n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2eki s SER 3 N -3.17 2.21 -0.00 -3.46 0.01 -1.26 -5.07 113.70 102.95 2eki s SER 3 Ca 0.64 -0.35 -0.06 0.00 1.31 0.00 0.00 55.95 57.48 2eki s SER 3 Cb -0.37 -0.46 -0.03 0.00 0.21 0.00 0.00 66.02 65.36 2eki s SER 3 CO 0.91 0.19 0.70 1.23 0.41 0.00 0.00 173.24 176.67 2eki h GLY 4 N 6.01 -0.23 -7.20 3.44 0.00 -2.04 -3.40 103.07 99.64 2eki h GLY 4 Ca -0.35 0.09 -0.66 0.00 0.00 0.00 0.00 47.33 46.41 2eki h GLY 4 CO 0.48 -0.08 0.33 -0.56 0.00 0.00 0.00 176.54 176.71 2eki s SER 5 N -2.99 6.20 0.25 0.19 0.01 -1.26 -5.03 113.70 111.07 2eki s SER 5 Ca -0.03 -1.08 -0.30 0.00 1.31 0.00 0.00 55.95 55.85 2eki s SER 5 Cb 0.00 -2.36 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 2eki s SER 5 CO 0.10 -1.24 1.41 -0.94 0.41 0.00 0.00 173.24 172.97 2eki s SER 6 N 3.46 6.70 0.00 2.44 1.04 -1.26 -4.83 113.70 121.25 2eki s SER 6 Ca 0.18 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.24 2eki s SER 6 Cb -0.19 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.30 2eki s SER 6 CO 0.10 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2eki n GLY 7 N 2.06 2.71 0.87 7.32 0.00 -1.26 -5.05 105.19 111.83 2eki n GLY 7 Ca 0.06 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -1.70 1.61 0.18 -1.26 -5.04 117.16 110.94 2eki n TYR 8 Ca 0.00 -0.83 -0.38 0.00 1.88 0.00 0.00 57.90 58.57 2eki n TYR 8 Cb 0.00 -0.17 -0.03 0.00 -0.38 0.00 0.00 39.34 38.76 2eki n TYR 8 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2eki s LEU 9 N -1.46 3.39 0.42 -3.48 2.01 -1.26 -4.95 118.68 113.35 2eki s LEU 9 Ca 0.30 1.04 -0.20 0.00 0.01 0.00 0.00 54.13 55.28 2eki s LEU 9 Cb 0.31 -2.72 -0.11 0.00 0.01 0.00 0.00 46.19 43.69 2eki s LEU 9 CO -0.09 -2.57 0.92 -0.75 1.01 0.00 0.00 176.35 174.87 2eki s LYS 10 N 7.55 4.18 -0.11 1.70 2.36 -1.26 -4.97 119.74 129.19 2eki s LYS 10 Ca 0.90 1.04 0.02 0.00 -2.55 0.00 0.00 55.97 55.37 2eki s LYS 10 Cb -0.19 -2.22 -0.01 0.00 -1.05 0.00 0.00 37.83 34.36 2eki s LYS 10 CO 0.27 -0.01 -0.17 -0.51 1.55 0.00 0.00 175.35 176.48 2eki s LEU 11 N -3.18 2.51 -0.04 5.43 2.01 -1.26 -2.53 118.68 121.63 2eki s LEU 11 Ca 0.61 -0.39 0.06 0.00 0.01 0.00 0.00 54.13 54.41 2eki s LEU 11 Cb -0.09 -1.54 -0.01 0.00 0.01 0.00 0.00 46.19 44.56 2eki s LEU 11 CO 0.14 0.18 -0.23 0.68 1.01 0.00 0.00 176.35 178.13 2eki s VAL 12 N 0.26 1.84 -0.14 -1.59 -7.23 -1.20 -4.98 120.40 107.37 2eki s VAL 12 Ca -0.12 -0.96 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 2eki s VAL 12 Cb -0.16 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 2eki s VAL 12 CO 0.06 0.52 0.09 -0.13 -0.31 0.00 0.00 175.10 175.33 2eki s ARG 13 N -0.23 3.58 -0.16 4.82 3.00 -1.26 -2.01 118.95 126.69 2eki s ARG 13 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 55.73 55.48 2eki s ARG 13 Cb -0.12 -3.14 0.02 0.00 0.00 0.00 0.00 34.95 31.72 2eki s ARG 13 CO 0.02 0.56 -0.15 0.42 0.00 0.00 0.00 175.30 176.15 2eki s ILE 14 N -0.44 1.69 -0.60 1.52 -1.09 -0.66 -0.81 121.20 120.81 2eki s ILE 14 Ca 0.10 -0.73 -0.20 0.00 -2.23 0.00 0.00 60.65 57.59 2eki s ILE 14 Cb -0.12 -1.58 0.09 0.00 -1.58 0.00 0.00 42.46 39.26 2eki s ILE 14 CO 0.02 0.45 0.78 -0.31 -1.23 0.00 0.00 174.94 174.65 2eki s TYR 15 N 1.43 2.90 0.29 3.97 2.02 -0.67 -2.79 117.35 124.52 2eki s TYR 15 Ca 0.04 -0.75 -0.29 0.00 -0.37 0.00 0.00 57.07 55.70 2eki s TYR 15 Cb -0.13 -4.03 -0.10 0.00 -0.40 0.00 0.00 41.96 37.30 2eki s TYR 15 CO -0.11 -1.36 1.18 -0.08 -1.57 0.00 0.00 175.55 173.61 2eki s THR 16 N 3.11 3.20 -0.56 -0.71 -1.32 -1.26 -1.89 115.64 116.22 2eki s THR 16 Ca 0.16 1.20 -0.05 0.00 -1.21 0.00 0.00 61.69 61.79 2eki s THR 16 Cb -0.21 -3.76 0.14 0.00 -1.51 0.00 0.00 72.50 67.16 2eki s THR 16 CO 0.09 0.28 0.39 -0.75 -2.21 0.00 0.00 174.62 172.42 2eki s LYS 17 N -1.50 2.50 0.08 7.08 2.20 0.10 -3.62 119.74 126.58 2eki s LYS 17 Ca 0.47 -2.19 -0.31 0.00 -0.36 0.00 0.00 55.97 53.58 2eki s LYS 17 Cb -0.35 -3.80 -0.07 0.00 -1.51 0.00 0.00 37.83 32.10 2eki s LYS 17 CO 0.45 -1.16 1.39 -1.25 -0.36 0.00 0.00 175.35 174.42 2eki s PRO 18 N 0.56 4.31 -0.20 4.03 0.04 -1.26 -4.22 135.00 138.26 2eki s PRO 18 Ca 0.12 2.03 -0.35 0.00 0.04 0.00 0.00 61.00 62.85 2eki s PRO 18 Cb -0.21 -3.36 -0.12 0.00 0.04 0.00 0.00 34.50 30.85 2eki s PRO 18 CO -0.04 -0.47 1.97 0.36 0.04 0.00 0.00 177.00 178.86 2eki n LYS 19 N 4.41 1.72 0.00 4.56 2.85 -1.26 -1.69 118.16 128.74 2eki n LYS 19 Ca 0.12 0.59 0.00 0.00 -1.05 0.00 0.00 58.31 57.97 2eki n LYS 19 Cb 0.43 -2.56 0.00 0.00 -0.65 0.00 0.00 35.03 32.25 2eki n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2eki n GLY 20 N 5.03 3.18 4.02 2.58 0.00 -1.26 -5.04 105.19 113.70 2eki n GLY 20 Ca 0.29 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 2eki n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2eki s GLN 21 N 0.00 2.35 0.33 1.61 2.00 -0.68 -5.11 119.66 120.16 2eki s GLN 21 Ca 0.00 -1.46 -0.06 0.00 -2.00 0.00 0.00 55.36 51.85 2eki s GLN 21 Cb 0.00 -2.63 -0.05 0.00 0.80 0.00 0.00 33.01 31.13 2eki s GLN 21 CO 0.00 -0.80 0.61 -0.48 -0.50 0.00 0.00 175.29 174.13 2eki s LEU 22 N -4.66 3.98 -0.19 3.68 0.05 -1.26 -4.32 118.68 115.97 2eki s LEU 22 Ca 0.61 0.81 -0.29 0.00 0.05 0.00 0.00 54.13 55.30 2eki s LEU 22 Cb -0.07 -3.65 -0.03 0.00 -2.05 0.00 0.00 46.19 40.39 2eki s LEU 22 CO 0.38 -0.26 1.58 -2.16 -0.55 0.00 0.00 176.35 175.34 2eki s PRO 23 N -3.71 3.91 -0.09 1.48 0.04 -1.26 -4.61 135.00 130.76 2eki s PRO 23 Ca 0.46 1.75 -0.31 0.00 0.04 0.00 0.00 61.00 62.94 2eki s PRO 23 Cb -0.11 -4.00 -0.09 0.00 0.04 0.00 0.00 34.50 30.35 2eki s PRO 23 CO 0.31 -1.15 2.02 -0.25 0.04 0.00 0.00 177.00 177.97 2eki n ASP 24 N 8.01 3.56 -0.99 6.66 9.92 -1.24 -4.83 116.55 137.64 2eki n ASP 24 Ca 0.18 0.73 0.11 0.00 -0.53 0.00 0.00 54.79 55.28 2eki n ASP 24 Cb 0.45 -1.46 0.14 0.00 -0.64 0.00 0.00 41.12 39.60 2eki n ASP 24 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2eki n TYR 25 N 8.39 0.17 -0.01 1.24 4.01 -1.26 -4.17 117.16 125.54 2eki n TYR 25 Ca 0.25 -0.09 0.02 0.00 -0.16 0.00 0.00 57.90 57.91 2eki n TYR 25 Cb 0.36 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.36 2eki n TYR 25 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 2eki n THR 26 N 1.34 0.06 -2.51 -0.72 5.66 -1.26 -4.71 114.28 112.13 2eki n THR 26 Ca 0.15 -0.13 -0.26 0.00 -3.05 0.00 0.00 64.05 60.76 2eki n THR 26 Cb 0.58 0.16 -0.00 0.00 -1.55 0.00 0.00 70.33 69.52 2eki n THR 26 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2eki n SER 27 N -1.76 4.59 -3.35 1.09 2.88 -1.26 -5.07 113.62 110.74 2eki n SER 27 Ca -0.02 -3.69 -0.24 0.00 -1.33 0.00 0.00 58.87 53.59 2eki n SER 27 Cb 0.22 -0.47 0.20 0.00 -0.75 0.00 0.00 64.21 63.42 2eki n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2eki n PRO 28 N -0.45 -2.73 -4.93 -1.46 -0.04 -1.26 -4.94 135.00 119.18 2eki n PRO 28 Ca 0.38 -1.40 -0.32 0.00 -0.04 0.00 0.00 63.50 62.11 2eki n PRO 28 Cb 0.65 -1.32 -0.16 0.00 -0.04 0.00 0.00 33.50 32.63 2eki n PRO 28 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2eki s VAL 29 N -2.59 2.18 -0.54 0.52 0.11 -1.12 -4.93 120.40 114.03 2eki s VAL 29 Ca 0.57 -0.96 -0.17 0.00 -2.93 0.00 0.00 61.98 58.49 2eki s VAL 29 Cb -0.06 -1.86 0.11 0.00 -1.53 0.00 0.00 36.38 33.04 2eki s VAL 29 CO 0.44 0.55 0.55 -0.69 -3.33 0.00 0.00 175.10 172.62 2eki s VAL 30 N 0.56 5.08 0.15 2.04 1.01 -1.26 -1.65 120.40 126.32 2eki s VAL 30 Ca -0.13 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 60.59 2eki s VAL 30 Cb -0.17 -4.35 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 2eki s VAL 30 CO 0.04 -0.89 0.39 -0.76 0.00 0.00 0.00 175.10 173.87 2eki s LEU 31 N 2.00 4.26 0.10 3.92 1.43 -0.85 -4.91 118.68 124.62 2eki s LEU 31 Ca 0.07 0.60 -0.31 0.00 -1.03 0.00 0.00 54.13 53.46 2eki s LEU 31 Cb -0.27 -3.33 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 2eki s LEU 31 CO 0.05 0.04 1.37 -2.16 0.23 0.00 0.00 176.35 175.88 2eki s PRO 32 N -2.69 4.33 0.13 1.29 0.04 -1.26 -3.22 135.00 133.62 2eki s PRO 32 Ca 0.41 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 2eki s PRO 32 Cb -0.12 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 2eki s PRO 32 CO 0.25 -0.43 1.59 -0.92 0.04 0.00 0.00 177.00 177.52 2eki h TYR 33 N 6.90 -1.15 -1.83 0.56 3.20 -1.87 0.44 116.97 123.23 2eki h TYR 33 Ca -0.42 0.04 0.54 0.00 3.14 0.00 0.00 58.73 62.03 2eki h TYR 33 Cb 1.21 0.51 -0.08 0.00 1.54 0.00 0.00 36.73 39.91 2eki h TYR 33 CO 0.67 -0.47 1.31 1.03 -1.64 0.00 0.00 178.16 179.05 2eki h SER 34 N -0.52 0.02 -3.21 -2.11 0.87 -1.92 -3.09 113.55 103.58 2eki h SER 34 Ca 0.06 0.01 -0.59 0.00 -1.23 0.00 0.00 61.79 60.04 2eki h SER 34 Cb 0.63 0.01 -0.40 0.00 -0.44 0.00 0.00 62.40 62.20 2eki h SER 34 CO -0.35 -0.02 -0.76 -0.13 -0.53 0.00 0.00 176.83 175.05 2eki s ARG 35 N -4.91 0.87 -0.17 2.24 1.81 0.14 -5.09 118.95 113.85 2eki s ARG 35 Ca -0.05 -1.38 -0.01 0.00 -1.72 0.00 0.00 55.73 52.57 2eki s ARG 35 Cb 0.27 -2.03 0.05 0.00 -0.45 0.00 0.00 34.95 32.78 2eki s ARG 35 CO 0.88 -1.06 -0.01 0.95 -0.68 0.00 0.00 175.30 175.38 2eki s THR 36 N 1.19 0.82 -0.13 0.02 -4.23 -1.17 -4.06 115.64 108.07 2eki s THR 36 Ca 0.13 -0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 59.78 2eki s THR 36 Cb -0.20 -1.13 0.12 0.00 1.34 0.00 0.00 72.50 72.63 2eki s THR 36 CO -0.15 -0.01 0.95 0.42 -0.54 0.00 0.00 174.62 175.29 2eki s THR 37 N 1.75 0.00 0.38 3.99 -4.23 -1.26 -3.56 115.64 112.70 2eki s THR 37 Ca -0.00 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.68 2eki s THR 37 Cb -0.16 -1.00 0.37 0.00 1.34 0.00 0.00 72.50 73.06 2eki s THR 37 CO -0.07 0.00 1.72 0.58 -0.54 0.00 0.00 174.62 176.31 2eki h VAL 38 N 2.56 0.43 0.00 2.29 2.07 -1.55 0.91 116.25 122.96 2eki h VAL 38 Ca -0.20 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 2eki h VAL 38 Cb 1.17 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2eki h VAL 38 CO 0.32 0.07 -0.43 1.05 0.02 0.00 0.00 177.57 178.60 2eki h GLU 39 N 0.38 0.00 -0.10 1.57 4.11 -1.83 -2.38 114.58 116.34 2eki h GLU 39 Ca 0.66 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 60.01 2eki h GLU 39 Cb 1.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 2eki h GLU 39 CO -0.41 0.43 -0.29 0.22 0.07 0.00 0.00 179.01 179.03 2eki h ASP 40 N 0.00 0.17 0.02 3.06 3.58 0.54 -3.17 116.42 120.63 2eki h ASP 40 Ca -0.00 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 2eki h ASP 40 Cb 0.78 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2eki h ASP 40 CO 0.06 0.47 -0.01 0.15 -2.88 0.00 0.00 179.24 177.03 2eki h PHE 41 N 0.16 -0.02 -1.65 0.28 3.04 -1.17 -3.30 116.94 114.27 2eki h PHE 41 Ca 0.02 -0.00 0.51 0.00 3.98 0.00 0.00 57.97 62.48 2eki h PHE 41 Cb 0.61 0.01 -0.10 0.00 2.56 0.00 0.00 35.95 39.02 2eki h PHE 41 CO 0.01 0.46 1.14 0.00 -2.02 0.00 0.00 178.31 177.90 2eki h MET 43 N 0.00 0.58 -0.67 0.00 2.86 -1.63 -0.33 114.93 115.73 2eki h MET 43 Ca 0.88 -0.33 0.19 0.00 -2.06 0.00 0.00 59.70 58.37 2eki h MET 43 Cb 3.23 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 34.88 2eki h MET 43 CO -0.20 0.93 0.48 0.87 1.06 0.00 0.00 176.91 180.05 2eki h LYS 44 N 0.26 0.04 0.00 1.72 1.79 0.22 -3.11 116.57 117.49 2eki h LYS 44 Ca 0.03 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2eki h LYS 44 Cb 0.86 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2eki h LYS 44 CO 0.07 0.03 -0.31 -0.89 -1.08 0.00 0.00 179.45 177.26 2eki n ILE 45 N -4.36 0.88 -3.67 1.86 2.08 -1.10 -5.00 119.36 110.05 2eki n ILE 45 Ca 0.13 0.33 -0.09 0.00 0.56 0.00 0.00 62.75 63.68 2eki n ILE 45 Cb 0.71 -2.05 -0.10 0.00 -0.75 0.00 0.00 39.64 37.45 2eki n ILE 45 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2eki s HIS 46 N -1.76 -0.76 0.53 1.39 2.46 -0.15 -5.02 115.29 111.97 2eki s HIS 46 Ca -0.09 1.50 0.23 0.00 0.47 0.00 0.00 55.06 57.18 2eki s HIS 46 Cb 0.01 0.33 1.37 0.00 -0.13 0.00 0.00 32.58 34.16 2eki s HIS 46 CO 0.13 -0.44 2.03 1.57 -2.47 0.00 0.00 174.74 175.56 2eki h LYS 47 N 7.70 0.00 -0.57 2.88 5.09 -1.73 0.40 116.57 130.34 2eki h LYS 47 Ca -0.25 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.49 2eki h LYS 47 Cb 1.14 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.47 2eki h LYS 47 CO 0.19 0.00 0.00 0.27 -2.09 0.00 0.00 179.45 177.82 2eki n ASN 48 N -4.41 2.30 -0.07 7.07 2.04 -1.26 -4.11 115.26 116.83 2eki n ASN 48 Ca 0.07 -2.19 -0.09 0.00 -0.44 0.00 0.00 54.58 51.93 2eki n ASN 48 Cb 0.50 -0.39 -0.07 0.00 -2.53 0.00 0.00 39.78 37.29 2eki n ASN 48 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 2eki h LEU 49 N 1.72 0.00 -1.37 -4.53 5.85 -0.44 -3.32 115.31 113.22 2eki h LEU 49 Ca 0.00 -0.46 0.26 0.00 0.84 0.00 0.00 57.88 58.52 2eki h LEU 49 Cb 0.76 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 2eki h LEU 49 CO 0.10 0.87 1.00 -0.29 -0.34 0.00 0.00 178.44 179.78 2eki h ILE 50 N -1.00 0.11 -0.17 4.05 6.09 -1.72 1.32 117.51 126.19 2eki h ILE 50 Ca -0.05 0.00 -0.22 0.00 -1.37 0.00 0.00 64.86 63.22 2eki h ILE 50 Cb 0.64 0.19 0.01 0.00 0.47 0.00 0.00 36.82 38.13 2eki h ILE 50 CO -0.03 0.00 -0.75 0.11 -3.07 0.00 0.00 178.15 174.41 2eki h LYS 51 N 0.00 0.80 0.00 2.19 1.57 -1.82 -3.20 116.57 116.11 2eki h LYS 51 Ca 0.42 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2eki h LYS 51 Cb 2.43 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.86 2eki h LYS 51 CO -0.00 1.24 -0.74 0.39 -0.57 0.00 0.00 179.45 179.77 2eki n GLU 52 N -3.94 0.20 -1.69 3.15 -0.58 0.41 -4.89 120.64 113.30 2eki n GLU 52 Ca -0.07 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.28 2eki n GLU 52 Cb 0.73 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.98 2eki n GLU 52 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2eki s PHE 53 N -3.13 1.31 -0.25 -0.32 5.36 0.14 -0.61 117.98 120.48 2eki s PHE 53 Ca 0.07 -0.25 -0.15 0.00 -0.96 0.00 0.00 56.93 55.64 2eki s PHE 53 Cb 0.15 -4.17 -0.15 0.00 -0.34 0.00 0.00 43.02 38.51 2eki s PHE 53 CO 0.75 -5.20 -0.18 1.17 -1.46 0.00 0.00 175.22 170.30 2eki n LYS 54 N 7.72 0.59 -3.82 10.12 4.81 0.18 -4.81 118.16 132.95 2eki n LYS 54 Ca 0.21 0.34 -0.06 0.00 -0.87 0.00 0.00 58.31 57.94 2eki n LYS 54 Cb 0.42 -1.57 0.00 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 -2.47 -0.04 -0.02 5.64 1.13 -1.26 -4.93 117.35 115.40 2eki s TYR 55 Ca -0.36 -0.41 0.01 0.00 -1.41 0.00 0.00 57.07 54.90 2eki s TYR 55 Cb 0.12 0.72 0.01 0.00 -1.10 0.00 0.00 41.96 41.71 2eki s TYR 55 CO 0.53 -1.13 -0.02 0.00 -2.51 0.00 0.00 175.55 172.42 2eki s ALA 56 N -2.98 0.31 -0.80 9.51 0.00 -1.00 -2.37 121.76 124.43 2eki s ALA 56 Ca 0.15 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.98 2eki s ALA 56 Cb -0.04 -0.20 0.21 0.00 0.00 0.00 0.00 23.12 23.09 2eki s ALA 56 CO 0.06 0.00 0.73 -0.51 0.00 0.00 0.00 175.76 176.05 2eki s LEU 57 N 0.47 6.66 0.26 0.00 1.43 -1.18 -1.53 118.68 124.79 2eki s LEU 57 Ca -0.05 -2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 50.13 2eki s LEU 57 Cb -0.08 -2.19 -0.09 0.00 0.03 0.00 0.00 46.19 43.86 2eki s LEU 57 CO -0.01 -0.59 1.04 -0.69 0.23 0.00 0.00 176.35 176.34 2eki s VAL 58 N 0.27 3.72 -0.43 -1.59 1.01 -1.19 -3.34 120.40 118.84 2eki s VAL 58 Ca 0.17 1.71 0.03 0.00 0.00 0.00 0.00 61.98 63.89 2eki s VAL 58 Cb -0.12 -4.09 0.12 0.00 0.00 0.00 0.00 36.38 32.29 2eki s VAL 58 CO -0.08 0.40 0.20 0.26 0.00 0.00 0.00 175.10 175.89 2eki s TRP 59 N -1.10 2.53 0.00 5.22 0.51 -0.74 -3.57 118.94 121.78 2eki s TRP 59 Ca 0.44 -2.64 0.00 0.00 -2.12 0.00 0.00 56.10 51.78 2eki s TRP 59 Cb -0.30 -2.28 0.00 0.00 -0.81 0.00 0.00 33.47 30.09 2eki s TRP 59 CO 0.37 -0.80 0.00 0.41 -0.51 0.00 0.00 176.95 176.42 2eki n GLY 60 N 3.66 -0.68 0.47 0.98 0.00 -1.26 -3.98 105.19 104.38 2eki n GLY 60 Ca 0.06 -1.13 0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -1.83 0.99 -0.00 -1.96 -0.10 115.31 112.40 2eki h LEU 61 Ca 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 57.88 58.31 2eki h LEU 61 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.58 2eki h LEU 61 CO 0.00 0.00 1.03 -1.28 -0.00 0.00 0.00 178.44 178.19 2eki h SER 62 N 0.00 0.09 -4.05 -0.43 0.87 -1.97 -3.37 113.55 104.69 2eki h SER 62 Ca 0.41 0.03 -0.51 0.00 -1.23 0.00 0.00 61.79 60.50 2eki h SER 62 Cb 1.85 0.03 -0.30 0.00 -0.44 0.00 0.00 62.40 63.54 2eki h SER 62 CO -0.00 -0.03 -0.82 0.68 -0.53 0.00 0.00 176.83 176.13 2eki s VAL 63 N -5.03 1.20 0.15 2.23 -7.23 -0.05 -5.04 120.40 106.62 2eki s VAL 63 Ca -0.06 -0.62 -0.17 0.00 -1.81 0.00 0.00 61.98 59.33 2eki s VAL 63 Cb 0.26 -1.02 0.03 0.00 0.56 0.00 0.00 36.38 36.21 2eki s VAL 63 CO 0.84 0.35 1.72 0.11 -0.31 0.00 0.00 175.10 177.80 2eki h LYS 64 N 6.05 0.13 -6.51 4.82 1.79 -1.82 -3.43 116.57 117.59 2eki h LYS 64 Ca -0.34 -0.01 -0.64 0.00 -2.18 0.00 0.00 60.65 57.48 2eki h LYS 64 Cb 1.17 -0.03 -0.15 0.00 -1.58 0.00 0.00 32.23 31.63 2eki h LYS 64 CO 0.48 0.09 -0.74 -1.01 -1.08 0.00 0.00 179.45 177.19 2eki s HIS 65 N -6.18 2.62 -0.05 -1.35 3.76 -1.26 -5.05 115.29 107.78 2eki s HIS 65 Ca -0.13 -0.22 -0.08 0.00 -0.15 0.00 0.00 55.06 54.48 2eki s HIS 65 Cb 0.12 -1.31 0.01 0.00 1.11 0.00 0.00 32.58 32.52 2eki s HIS 65 CO 0.70 0.48 0.19 -0.80 -0.85 0.00 0.00 174.74 174.46 2eki s ASN 66 N -2.61 -0.14 0.68 1.40 0.02 -1.26 -3.85 114.94 109.17 2eki s ASN 66 Ca 0.23 0.21 -0.14 0.00 -1.02 0.00 0.00 52.86 52.14 2eki s ASN 66 Cb -0.09 0.35 0.01 0.00 0.02 0.00 0.00 41.25 41.54 2eki s ASN 66 CO 0.14 -0.18 1.11 -2.16 0.02 0.00 0.00 177.10 176.02 2eki s PRO 67 N -0.43 2.68 -0.01 -0.60 0.04 -1.26 -5.13 135.00 130.29 2eki s PRO 67 Ca -0.05 1.34 0.05 0.00 0.04 0.00 0.00 61.00 62.38 2eki s PRO 67 Cb -0.03 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2eki s PRO 67 CO 0.01 -1.34 -0.16 -1.14 0.04 0.00 0.00 177.00 174.41 2eki s GLN 68 N -4.28 1.28 -0.43 4.56 0.74 -1.23 -5.00 119.66 115.30 2eki s GLN 68 Ca 0.66 -0.59 -0.24 0.00 0.05 0.00 0.00 55.36 55.24 2eki s GLN 68 Cb -0.20 -1.24 0.02 0.00 1.10 0.00 0.00 33.01 32.69 2eki s GLN 68 CO 0.45 0.34 0.82 0.21 -0.55 0.00 0.00 175.29 176.55 2eki s LYS 69 N -0.43 3.54 0.33 1.67 2.20 -1.26 -3.15 119.74 122.65 2eki s LYS 69 Ca 0.06 0.09 0.09 0.00 -0.36 0.00 0.00 55.97 55.84 2eki s LYS 69 Cb -0.06 -3.90 -0.05 0.00 -1.51 0.00 0.00 37.83 32.32 2eki s LYS 69 CO -0.00 -1.06 0.08 0.14 -0.36 0.00 0.00 175.35 174.14 2eki s VAL 70 N 3.34 2.92 0.00 4.02 -7.23 -0.58 -4.95 120.40 117.93 2eki s VAL 70 Ca 0.32 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2eki s VAL 70 Cb -0.12 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.92 2eki s VAL 70 CO 0.22 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 2eki n GLY 71 N -1.05 2.17 0.01 2.32 0.00 -1.26 -2.38 105.19 105.00 2eki n GLY 71 Ca -0.04 -2.02 0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 0.05 0.00 1.61 -0.00 -1.26 -3.56 118.16 115.01 2eki n LYS 72 Ca 0.00 0.02 0.11 0.00 -0.00 0.00 0.00 58.31 58.44 2eki n LYS 72 Cb 0.00 -1.53 0.08 0.00 -0.00 0.00 0.00 35.03 33.57 2eki n LYS 72 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2eki n ASP 73 N -1.61 1.45 -4.68 -5.58 -0.08 -1.26 -2.83 116.55 101.96 2eki n ASP 73 Ca 0.05 -1.16 -0.42 0.00 -1.51 0.00 0.00 54.79 51.76 2eki n ASP 73 Cb 0.35 0.50 -0.03 0.00 2.34 0.00 0.00 41.12 44.28 2eki n ASP 73 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2eki s HIS 74 N -2.64 2.37 0.37 -0.67 2.46 -1.23 -4.85 115.29 111.09 2eki s HIS 74 Ca 0.17 0.33 -0.27 0.00 0.47 0.00 0.00 55.06 55.75 2eki s HIS 74 Cb 0.18 -3.94 -0.09 0.00 -0.13 0.00 0.00 32.58 28.60 2eki s HIS 74 CO 0.64 -3.78 1.30 0.99 -2.47 0.00 0.00 174.74 171.42 2eki s THR 75 N 2.86 2.70 0.09 0.89 2.01 -1.26 -2.12 115.64 120.80 2eki s THR 75 Ca 0.73 0.66 -0.09 0.00 0.31 0.00 0.00 61.69 63.30 2eki s THR 75 Cb -0.38 -3.40 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 2eki s THR 75 CO 0.32 0.13 0.40 -0.76 -0.69 0.00 0.00 174.62 174.01 2eki s LEU 76 N -2.13 4.34 0.14 4.42 1.43 -1.23 -4.85 118.68 120.79 2eki s LEU 76 Ca 0.53 0.77 0.11 0.00 -1.03 0.00 0.00 54.13 54.50 2eki s LEU 76 Cb -0.38 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2eki s LEU 76 CO 0.50 0.16 -0.25 -1.61 0.23 0.00 0.00 176.35 175.38 2eki s GLU 77 N -2.01 1.50 0.82 1.70 0.41 -1.26 -4.80 118.70 115.07 2eki s GLU 77 Ca 0.34 -1.34 -0.13 0.00 -0.41 0.00 0.00 54.97 53.43 2eki s GLU 77 Cb -0.14 -1.94 0.09 0.00 -1.78 0.00 0.00 34.13 30.37 2eki s GLU 77 CO 0.19 0.45 1.20 0.34 -0.49 0.00 0.00 175.26 176.95 2eki s ASP 78 N -2.17 3.48 -1.47 -0.19 2.15 -1.26 -3.14 116.67 114.07 2eki s ASP 78 Ca 0.16 2.36 -0.01 0.00 0.43 0.00 0.00 52.55 55.49 2eki s ASP 78 Cb -0.10 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.95 2eki s ASP 78 CO 0.07 -2.74 0.32 -0.62 -0.17 0.00 0.00 175.17 172.03 2eki n GLU 79 N -3.41 -2.57 -4.65 4.34 -0.58 0.01 -4.87 120.64 108.90 2eki n GLU 79 Ca 0.13 0.31 -0.23 0.00 -0.42 0.00 0.00 57.16 56.96 2eki n GLU 79 Cb 0.51 -4.28 -0.15 0.00 -0.57 0.00 0.00 31.44 26.94 2eki n GLU 79 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2eki s ASP 80 N -4.31 1.67 -0.15 1.62 -1.08 -1.19 -4.97 116.67 108.26 2eki s ASP 80 Ca 0.05 -0.26 -0.13 0.00 -0.52 0.00 0.00 52.55 51.69 2eki s ASP 80 Cb -0.03 -0.24 -0.05 0.00 -1.46 0.00 0.00 42.92 41.15 2eki s ASP 80 CO 0.92 0.16 0.28 -0.69 0.52 0.00 0.00 175.17 176.37 2eki s VAL 81 N -0.24 5.30 -0.02 1.11 1.01 -1.26 -1.66 120.40 124.64 2eki s VAL 81 Ca 0.04 0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.60 2eki s VAL 81 Cb -0.06 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2eki s VAL 81 CO -0.00 0.42 -0.19 -0.51 0.00 0.00 0.00 175.10 174.82 2eki s ILE 82 N 0.25 1.51 -0.40 2.22 2.07 -0.79 -1.80 121.20 124.26 2eki s ILE 82 Ca 0.16 -0.80 -0.05 0.00 -1.41 0.00 0.00 60.65 58.55 2eki s ILE 82 Cb -0.13 -1.26 0.09 0.00 0.13 0.00 0.00 42.46 41.29 2eki s ILE 82 CO 0.04 0.43 0.21 -1.58 -1.91 0.00 0.00 174.94 172.13 2eki s GLN 83 N -0.34 2.30 -0.36 3.50 -0.44 -1.21 0.02 119.66 123.13 2eki s GLN 83 Ca 0.05 -1.63 -0.29 0.00 -2.50 0.00 0.00 55.36 50.99 2eki s GLN 83 Cb -0.08 -3.63 0.01 0.00 -1.64 0.00 0.00 33.01 27.67 2eki s GLN 83 CO -0.00 -0.99 1.29 0.42 0.50 0.00 0.00 175.29 176.51 2eki s ILE 84 N 1.27 4.12 -0.06 -2.34 -1.09 -1.26 -3.09 121.20 118.74 2eki s ILE 84 Ca 0.04 1.23 -0.03 0.00 -2.23 0.00 0.00 60.65 59.66 2eki s ILE 84 Cb -0.23 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.36 2eki s ILE 84 CO -0.01 -0.62 0.08 -0.69 -1.23 0.00 0.00 174.94 172.46 2eki s VAL 85 N 4.59 4.86 -0.23 2.92 1.01 -1.00 -4.78 120.40 127.78 2eki s VAL 85 Ca 0.55 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 2eki s VAL 85 Cb -0.14 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2eki s VAL 85 CO 0.26 0.51 0.06 -0.54 0.00 0.00 0.00 175.10 175.40 2eki s LYS 86 N -1.26 3.74 0.51 2.72 1.02 -1.26 -0.64 119.74 124.56 2eki s LYS 86 Ca 0.18 -0.45 -0.21 0.00 0.02 0.00 0.00 55.97 55.51 2eki s LYS 86 Cb -0.12 -3.28 -0.06 0.00 -0.52 0.00 0.00 37.83 33.85 2eki s LYS 86 CO 0.07 -0.06 1.14 -1.59 -0.92 0.00 0.00 175.35 174.00 2eki s LYS 87 N 1.26 3.49 -0.30 1.68 -2.85 0.21 -4.88 119.74 118.35 2eki s LYS 87 Ca 0.05 1.67 -0.12 0.00 -1.00 0.00 0.00 55.97 56.56 2eki s LYS 87 Cb -0.15 -2.14 0.17 0.00 -2.06 0.00 0.00 37.83 33.65 2eki s LYS 87 CO 0.03 -0.75 0.92 -1.54 0.10 0.00 0.00 175.35 174.12 2eki s SER 88 N -1.63 -0.71 0.06 0.03 1.04 -1.26 -4.99 113.70 106.24 2eki s SER 88 Ca 0.70 0.76 0.02 0.00 0.48 0.00 0.00 55.95 57.90 2eki s SER 88 Cb -0.25 1.72 -0.03 0.00 0.10 0.00 0.00 66.02 67.55 2eki s SER 88 CO 0.29 -0.13 -0.08 -0.83 0.98 0.00 0.00 173.24 173.47 2eki s GLY 89 N 2.66 0.63 0.42 7.32 0.00 -1.26 -5.04 107.32 112.05 2eki s GLY 89 Ca 0.01 -0.99 0.21 0.00 0.00 0.00 0.00 44.72 43.94 2eki s GLY 89 CO -0.17 -1.06 1.84 -0.56 0.00 0.00 0.00 173.10 173.15 2eki h PRO 90 N 3.93 0.00 -6.03 2.90 0.13 -2.08 -3.46 132.00 127.40 2eki h PRO 90 Ca -0.36 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.14 2eki h PRO 90 Cb 1.19 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.46 2eki h PRO 90 CO 0.49 0.29 -0.78 0.43 -0.23 0.00 0.00 178.00 178.20 2eki n SER 91 N -3.61 -2.24 -3.77 1.44 7.64 -1.26 -4.98 113.62 106.84 2eki n SER 91 Ca -0.01 0.91 -0.15 0.00 1.01 0.00 0.00 58.87 60.63 2eki n SER 91 Cb 0.42 -0.92 -0.16 0.00 -1.01 0.00 0.00 64.21 62.54 2eki n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2eki s SER 92 N -0.99 0.06 0.00 6.43 0.01 -1.26 -5.22 113.70 112.73 2eki s SER 92 Ca 0.61 0.05 0.30 0.00 1.31 0.00 0.00 55.95 58.22 2eki s SER 92 Cb -0.72 -0.06 1.49 0.00 0.21 0.00 0.00 66.02 66.95 2eki s SER 92 CO 0.61 -0.13 1.99 0.61 0.41 0.00 0.00 173.24 176.73