#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 2.16 -4.25 1.61 3.41 -1.26 -4.93 113.62 110.37 2eki n SER 2 Ca 0.00 0.66 -0.14 0.00 -0.26 0.00 0.00 58.87 59.13 2eki n SER 2 Cb 0.00 -1.20 -0.10 0.00 -0.26 0.00 0.00 64.21 62.65 2eki n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2eki s SER 3 N 5.92 1.29 0.00 4.04 0.01 -1.26 -5.15 113.70 118.56 2eki s SER 3 Ca 1.06 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2eki s SER 3 Cb -0.97 0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.36 2eki s SER 3 CO 0.56 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2eki n GLY 4 N -0.26 -0.61 3.26 3.44 0.00 -1.26 -4.93 105.19 104.83 2eki n GLY 4 Ca -0.07 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.53 4.28 0.22 1.61 0.15 -1.26 -4.99 113.70 112.18 2eki s SER 5 Ca 0.00 -0.61 -0.08 0.00 0.70 0.00 0.00 55.95 55.96 2eki s SER 5 Cb 0.00 -1.70 0.27 0.00 -1.71 0.00 0.00 66.02 62.87 2eki s SER 5 CO 0.00 -0.07 1.84 0.77 1.20 0.00 0.00 173.24 176.98 2eki h SER 6 N 8.08 0.74 -4.87 5.45 4.64 -2.04 -3.48 113.55 122.07 2eki h SER 6 Ca -0.38 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2eki h SER 6 Cb 1.14 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2eki h SER 6 CO 0.60 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.65 2eki n GLY 7 N -1.31 3.14 0.94 -0.77 0.00 -1.26 -4.86 105.19 101.06 2eki n GLY 7 Ca 0.10 -1.98 0.12 0.00 0.00 0.00 0.00 46.02 44.26 2eki n GLY 7 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2eki n TYR 8 N -1.13 0.30 -3.16 1.61 9.36 -1.26 -4.73 117.16 118.15 2eki n TYR 8 Ca 0.00 -0.15 -0.45 0.00 3.32 0.00 0.00 57.90 60.61 2eki n TYR 8 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 2eki n TYR 8 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2eki s LEU 9 N -1.64 5.97 0.34 2.98 2.96 -1.26 -4.91 118.68 123.12 2eki s LEU 9 Ca 0.35 -2.70 -0.28 0.00 -0.22 0.00 0.00 54.13 51.28 2eki s LEU 9 Cb 0.21 -2.29 -0.10 0.00 0.50 0.00 0.00 46.19 44.51 2eki s LEU 9 CO 0.30 -0.69 1.21 -0.75 -1.32 0.00 0.00 176.35 175.11 2eki s LYS 10 N 0.84 4.34 -0.24 1.98 2.47 -1.26 -4.93 119.74 122.93 2eki s LYS 10 Ca 0.28 2.00 -0.07 0.00 -1.56 0.00 0.00 55.97 56.62 2eki s LYS 10 Cb -0.08 -2.99 -0.03 0.00 -1.46 0.00 0.00 37.83 33.27 2eki s LYS 10 CO -0.08 -0.12 0.07 -0.51 0.16 0.00 0.00 175.35 174.87 2eki s LEU 11 N -1.90 3.50 0.17 5.43 2.01 -1.26 -2.32 118.68 124.30 2eki s LEU 11 Ca 0.50 -0.17 0.11 0.00 0.01 0.00 0.00 54.13 54.58 2eki s LEU 11 Cb -0.35 -1.93 -0.04 0.00 0.01 0.00 0.00 46.19 43.87 2eki s LEU 11 CO 0.46 -0.01 -0.23 0.68 1.01 0.00 0.00 176.35 178.26 2eki s VAL 12 N 1.45 2.42 0.02 -1.59 -7.23 -1.21 -4.99 120.40 109.28 2eki s VAL 12 Ca 0.06 -1.88 0.08 0.00 -1.81 0.00 0.00 61.98 58.43 2eki s VAL 12 Cb -0.15 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 2eki s VAL 12 CO 0.04 -0.04 -0.25 -0.13 -0.31 0.00 0.00 175.10 174.41 2eki s ARG 13 N -2.46 1.81 -0.17 4.82 3.00 -1.26 -2.38 118.95 122.32 2eki s ARG 13 Ca 0.19 -1.01 0.00 0.00 0.00 0.00 0.00 55.73 54.91 2eki s ARG 13 Cb -0.09 -1.90 0.04 0.00 0.00 0.00 0.00 34.95 33.00 2eki s ARG 13 CO 0.09 0.50 -0.08 0.42 0.00 0.00 0.00 175.30 176.23 2eki s ILE 14 N -0.72 1.31 -0.62 1.52 -1.09 -1.02 -0.11 121.20 120.47 2eki s ILE 14 Ca 0.10 -0.69 -0.24 0.00 -2.23 0.00 0.00 60.65 57.60 2eki s ILE 14 Cb -0.10 -1.40 0.05 0.00 -1.58 0.00 0.00 42.46 39.44 2eki s ILE 14 CO 0.01 0.22 0.98 -0.31 -1.23 0.00 0.00 174.94 174.61 2eki s TYR 15 N 1.56 2.69 0.45 3.97 2.02 -0.43 -2.85 117.35 124.76 2eki s TYR 15 Ca 0.01 -0.29 -0.23 0.00 -0.37 0.00 0.00 57.07 56.19 2eki s TYR 15 Cb -0.15 -4.22 -0.07 0.00 -0.40 0.00 0.00 41.96 37.11 2eki s TYR 15 CO -0.08 -1.56 1.17 -0.08 -1.57 0.00 0.00 175.55 173.43 2eki s THR 16 N 4.15 3.08 -0.20 -0.71 -1.32 -1.26 -2.18 115.64 117.20 2eki s THR 16 Ca 0.26 0.83 -0.01 0.00 -1.21 0.00 0.00 61.69 61.55 2eki s THR 16 Cb -0.14 -3.42 0.01 0.00 -1.51 0.00 0.00 72.50 67.43 2eki s THR 16 CO 0.14 0.00 -0.12 -0.75 -2.21 0.00 0.00 174.62 171.68 2eki s LYS 17 N -2.65 3.19 0.44 7.08 2.20 0.71 -3.01 119.74 127.69 2eki s LYS 17 Ca 0.63 -0.73 -0.24 0.00 -0.36 0.00 0.00 55.97 55.27 2eki s LYS 17 Cb -0.29 -2.80 -0.08 0.00 -1.51 0.00 0.00 37.83 33.15 2eki s LYS 17 CO 0.36 -0.21 1.17 -1.25 -0.36 0.00 0.00 175.35 175.06 2eki s PRO 18 N 1.39 3.86 -0.68 4.03 0.04 -1.26 -4.18 135.00 138.20 2eki s PRO 18 Ca 0.05 1.81 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 2eki s PRO 18 Cb -0.14 -2.51 -0.24 0.00 0.04 0.00 0.00 34.50 31.66 2eki s PRO 18 CO -0.08 -0.47 1.86 0.36 0.04 0.00 0.00 177.00 178.71 2eki n LYS 19 N -0.28 0.70 0.00 4.56 2.85 -1.26 -3.09 118.16 121.63 2eki n LYS 19 Ca 0.06 -1.66 0.00 0.00 -1.05 0.00 0.00 58.31 55.66 2eki n LYS 19 Cb 0.47 -3.19 0.00 0.00 -0.65 0.00 0.00 35.03 31.67 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 5.31 3.40 3.76 2.58 0.00 -1.26 -5.12 105.19 113.86 2eki n GLY 20 Ca 0.46 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.46 0.38 1.61 1.11 -1.18 -5.04 119.66 116.08 2eki s GLN 21 Ca 0.00 -0.29 -0.13 0.00 0.01 0.00 0.00 55.36 54.95 2eki s GLN 21 Cb 0.00 -1.71 -0.07 0.00 -1.01 0.00 0.00 33.01 30.22 2eki s GLN 21 CO 0.00 -3.16 0.77 -0.51 0.01 0.00 0.00 175.29 172.40 2eki s LEU 22 N -6.46 3.91 -0.05 2.90 1.43 -1.26 -4.19 118.68 114.94 2eki s LEU 22 Ca 0.73 1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 54.75 2eki s LEU 22 Cb -0.06 -4.07 -0.05 0.00 0.03 0.00 0.00 46.19 42.04 2eki s LEU 22 CO 0.55 -0.34 1.49 -2.16 0.23 0.00 0.00 176.35 176.12 2eki s PRO 23 N -3.53 4.22 0.54 1.29 0.04 -1.26 -4.44 135.00 131.86 2eki s PRO 23 Ca 0.53 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.37 2eki s PRO 23 Cb -0.10 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 2eki s PRO 23 CO 0.26 -0.73 1.34 0.34 0.04 0.00 0.00 177.00 178.26 2eki s ASP 24 N 2.55 5.31 -0.02 6.66 2.15 -1.16 -4.94 116.67 127.22 2eki s ASP 24 Ca 0.66 2.73 0.03 0.00 0.43 0.00 0.00 52.55 56.40 2eki s ASP 24 Cb -0.31 -2.63 0.04 0.00 -0.30 0.00 0.00 42.92 39.72 2eki s ASP 24 CO 0.26 -1.54 0.82 -1.22 -0.17 0.00 0.00 175.17 173.32 2eki n TYR 25 N -1.02 0.00 -0.02 -5.34 4.01 -1.26 -4.49 117.16 109.04 2eki n TYR 25 Ca 0.10 -0.24 -0.02 0.00 -0.16 0.00 0.00 57.90 57.58 2eki n TYR 25 Cb 0.45 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.41 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 -0.30 0.31 -2.75 -0.72 5.66 -1.26 -4.76 114.28 110.45 2eki n THR 26 Ca 0.02 -0.18 -0.29 0.00 -3.05 0.00 0.00 64.05 60.55 2eki n THR 26 Cb 0.52 -0.85 -0.02 0.00 -1.55 0.00 0.00 70.33 68.42 2eki n THR 26 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2eki n SER 27 N -2.24 5.03 -4.77 1.09 7.64 -1.26 -5.07 113.62 114.03 2eki n SER 27 Ca -0.08 -3.70 -0.35 0.00 1.01 0.00 0.00 58.87 55.75 2eki n SER 27 Cb 0.64 -0.63 0.01 0.00 -1.01 0.00 0.00 64.21 63.22 2eki n SER 27 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2eki s PRO 28 N -3.62 3.22 -0.32 1.43 0.04 -1.26 -4.96 135.00 129.53 2eki s PRO 28 Ca 0.48 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 2eki s PRO 28 Cb 0.30 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.85 2eki s PRO 28 CO -0.16 -0.94 0.74 0.54 0.04 0.00 0.00 177.00 177.21 2eki s VAL 29 N -1.92 4.83 -0.57 -0.36 0.11 -1.13 -4.87 120.40 116.49 2eki s VAL 29 Ca 0.71 1.03 -0.24 0.00 -2.93 0.00 0.00 61.98 60.54 2eki s VAL 29 Cb -0.23 -4.11 0.04 0.00 -1.53 0.00 0.00 36.38 30.55 2eki s VAL 29 CO 0.30 -0.25 0.97 -0.69 -3.33 0.00 0.00 175.10 172.11 2eki s VAL 30 N 2.87 4.33 0.04 2.04 1.01 -1.26 -2.44 120.40 126.99 2eki s VAL 30 Ca 0.30 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.57 2eki s VAL 30 Cb -0.14 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 2eki s VAL 30 CO 0.13 -1.19 -0.00 -0.76 0.00 0.00 0.00 175.10 173.27 2eki s LEU 31 N 4.09 3.47 0.06 3.92 1.43 -1.00 -5.00 118.68 125.66 2eki s LEU 31 Ca 0.30 -0.09 -0.31 0.00 -1.03 0.00 0.00 54.13 53.01 2eki s LEU 31 Cb -0.12 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 2eki s LEU 31 CO 0.18 0.23 1.40 -2.16 0.23 0.00 0.00 176.35 176.24 2eki s PRO 32 N -1.89 4.30 0.10 1.29 0.04 -1.26 -3.30 135.00 134.28 2eki s PRO 32 Ca 0.22 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 63.05 2eki s PRO 32 Cb -0.12 -3.42 -0.09 0.00 0.04 0.00 0.00 34.50 30.92 2eki s PRO 32 CO 0.14 -0.51 1.41 -0.92 0.04 0.00 0.00 177.00 177.16 2eki h TYR 33 N 7.35 -1.28 -0.80 0.56 5.03 -1.82 0.69 116.97 126.70 2eki h TYR 33 Ca -0.40 0.06 0.33 0.00 2.58 0.00 0.00 58.73 61.30 2eki h TYR 33 Cb 1.20 0.59 -0.14 0.00 1.55 0.00 0.00 36.73 39.93 2eki h TYR 33 CO 0.71 -0.38 0.41 0.45 -1.32 0.00 0.00 178.16 178.03 2eki n SER 34 N -4.71 0.26 -4.01 -2.11 2.88 -1.26 -2.81 113.62 101.86 2eki n SER 34 Ca -0.03 1.33 -0.31 0.00 -1.33 0.00 0.00 58.87 58.53 2eki n SER 34 Cb 0.26 -0.64 -0.14 0.00 -0.75 0.00 0.00 64.21 62.94 2eki n SER 34 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2eki s ARG 35 N -5.24 1.72 -0.12 -1.46 1.81 0.23 -5.06 118.95 110.83 2eki s ARG 35 Ca -0.07 -2.13 -0.04 0.00 -1.72 0.00 0.00 55.73 51.78 2eki s ARG 35 Cb 0.27 -3.29 0.05 0.00 -0.45 0.00 0.00 34.95 31.52 2eki s ARG 35 CO 0.62 -1.01 0.07 0.95 -0.68 0.00 0.00 175.30 175.25 2eki s THR 36 N 0.52 -0.01 -0.20 0.02 -4.23 -1.12 -4.06 115.64 106.56 2eki s THR 36 Ca 0.13 0.03 -0.28 0.00 -1.18 0.00 0.00 61.69 60.39 2eki s THR 36 Cb -0.21 -0.46 0.11 0.00 1.34 0.00 0.00 72.50 73.28 2eki s THR 36 CO -0.05 -0.08 0.94 0.42 -0.54 0.00 0.00 174.62 175.31 2eki s THR 37 N 2.11 0.00 0.37 3.99 -4.23 -1.26 -3.66 115.64 112.96 2eki s THR 37 Ca 0.03 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.74 2eki s THR 37 Cb -0.14 -1.00 0.35 0.00 1.34 0.00 0.00 72.50 73.05 2eki s THR 37 CO -0.07 0.00 1.61 0.58 -0.54 0.00 0.00 174.62 176.20 2eki h VAL 38 N 3.15 0.09 -0.31 2.29 2.07 -1.62 1.30 116.25 123.23 2eki h VAL 38 Ca -0.24 -0.03 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 2eki h VAL 38 Cb 1.16 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2eki h VAL 38 CO 0.22 0.02 -0.40 1.05 0.02 0.00 0.00 177.57 178.48 2eki h GLU 39 N 0.10 0.74 -0.32 1.57 4.11 -1.84 -2.57 114.58 116.36 2eki h GLU 39 Ca 0.82 -0.39 -0.01 0.00 0.07 0.00 0.00 59.36 59.85 2eki h GLU 39 Cb 2.11 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.36 2eki h GLU 39 CO -0.70 1.01 0.17 -0.44 0.07 0.00 0.00 179.01 179.11 2eki h ASP 40 N 0.61 0.39 -0.03 3.06 5.19 0.13 -2.51 116.42 123.26 2eki h ASP 40 Ca 0.05 -0.02 -0.21 0.00 -0.62 0.00 0.00 57.03 56.23 2eki h ASP 40 Cb 0.95 -0.10 0.02 0.00 0.18 0.00 0.00 39.33 40.38 2eki h ASP 40 CO 0.09 0.32 -0.80 0.15 -3.12 0.00 0.00 179.24 175.88 2eki h PHE 41 N 0.45 0.86 -0.23 4.55 3.04 -1.19 -3.15 116.94 121.27 2eki h PHE 41 Ca 0.12 -0.45 0.07 0.00 3.98 0.00 0.00 57.97 61.68 2eki h PHE 41 Cb 0.03 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 2eki h PHE 41 CO 0.00 1.27 0.25 0.00 -2.02 0.00 0.00 178.31 177.82 2eki h MET 43 N 0.00 0.50 -1.01 0.00 2.86 -1.46 0.31 114.93 116.13 2eki h MET 43 Ca 0.11 -0.41 0.24 0.00 -2.06 0.00 0.00 59.70 57.58 2eki h MET 43 Cb 0.61 0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.27 2eki h MET 43 CO -0.00 1.04 0.65 0.87 1.06 0.00 0.00 176.91 180.52 2eki h LYS 44 N 0.09 0.43 0.00 1.72 1.79 -1.22 -3.23 116.57 116.15 2eki h LYS 44 Ca -0.03 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2eki h LYS 44 Cb 1.13 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2eki h LYS 44 CO 0.10 0.28 -0.11 -0.89 -1.08 0.00 0.00 179.45 177.76 2eki n ILE 45 N -4.62 0.24 -3.69 1.86 2.08 -1.20 -5.01 119.36 109.02 2eki n ILE 45 Ca 0.24 0.45 -0.13 0.00 0.56 0.00 0.00 62.75 63.87 2eki n ILE 45 Cb 0.80 -1.65 -0.13 0.00 -0.75 0.00 0.00 39.64 37.91 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 -1.24 -0.40 0.10 1.39 2.46 0.09 -5.05 115.29 112.64 2eki s HIS 46 Ca -0.03 0.92 -0.26 0.00 0.47 0.00 0.00 55.06 56.16 2eki s HIS 46 Cb 0.00 0.01 -0.11 0.00 -0.13 0.00 0.00 32.58 32.35 2eki s HIS 46 CO 0.05 -0.31 1.68 -0.22 -2.47 0.00 0.00 174.74 173.46 2eki h LYS 47 N 7.81 -0.33 -0.27 2.88 3.64 -1.72 -1.12 116.57 127.46 2eki h LYS 47 Ca -0.26 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.22 2eki h LYS 47 Cb 1.13 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2eki h LYS 47 CO 0.24 -0.22 0.48 -0.91 -2.27 0.00 0.00 179.45 176.76 2eki h ASN 48 N -0.35 0.00 -0.53 4.20 2.35 -1.96 -2.01 115.58 117.28 2eki h ASN 48 Ca 0.01 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2eki h ASN 48 Cb 0.34 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.60 2eki h ASN 48 CO -0.06 0.00 -0.30 0.25 -1.65 0.00 0.00 177.43 175.68 2eki h LEU 49 N 0.00 -1.02 -1.95 1.61 5.85 -1.47 0.45 115.31 118.78 2eki h LEU 49 Ca 0.13 0.21 0.40 0.00 0.84 0.00 0.00 57.88 59.46 2eki h LEU 49 Cb 1.08 0.52 -0.06 0.00 0.37 0.00 0.00 40.66 42.57 2eki h LEU 49 CO -0.00 -0.29 1.04 -0.29 -0.34 0.00 0.00 178.44 178.55 2eki h ILE 50 N -0.16 0.26 -0.09 4.05 6.09 -1.51 1.38 117.51 127.53 2eki h ILE 50 Ca 0.23 0.00 -0.19 0.00 -1.37 0.00 0.00 64.86 63.52 2eki h ILE 50 Cb 0.53 0.27 -0.00 0.00 0.47 0.00 0.00 36.82 38.09 2eki h ILE 50 CO -0.63 0.00 -0.74 0.11 -3.07 0.00 0.00 178.15 173.82 2eki h LYS 51 N 0.00 0.46 -0.01 2.19 1.57 -0.28 -3.15 116.57 117.35 2eki h LYS 51 Ca 0.66 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2eki h LYS 51 Cb 2.73 0.08 0.00 0.00 0.08 0.00 0.00 32.23 35.12 2eki h LYS 51 CO -0.01 1.02 -0.56 0.39 -0.57 0.00 0.00 179.45 179.72 2eki n GLU 52 N -3.85 0.61 -2.07 3.15 -0.58 0.39 -4.89 120.64 113.40 2eki n GLU 52 Ca -0.05 -0.45 -0.43 0.00 -0.42 0.00 0.00 57.16 55.81 2eki n GLU 52 Cb 0.72 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 30.07 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 -2.71 1.98 -0.17 -0.32 2.19 0.33 -0.73 117.98 118.55 2eki s PHE 53 Ca 0.16 0.57 -0.21 0.00 0.33 0.00 0.00 56.93 57.79 2eki s PHE 53 Cb 0.18 -4.08 -0.18 0.00 -1.31 0.00 0.00 43.02 37.63 2eki s PHE 53 CO 0.66 -2.91 0.32 -0.22 1.83 0.00 0.00 175.22 174.90 2eki h LYS 54 N 11.69 0.00 -2.75 10.12 3.64 -0.96 -3.46 116.57 134.85 2eki h LYS 54 Ca -0.33 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.14 2eki h LYS 54 Cb 1.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 2eki h LYS 54 CO 1.02 0.80 0.36 1.52 -2.27 0.00 0.00 179.45 180.88 2eki s TYR 55 N -2.24 -0.06 -0.00 1.91 -0.85 -1.23 -4.89 117.35 109.99 2eki s TYR 55 Ca -0.22 -0.41 0.01 0.00 -0.52 0.00 0.00 57.07 55.93 2eki s TYR 55 Cb 0.02 0.72 0.00 0.00 0.38 0.00 0.00 41.96 43.09 2eki s TYR 55 CO 0.53 -1.17 -0.02 0.00 -1.52 0.00 0.00 175.55 173.37 2eki s ALA 56 N -3.08 0.17 -0.49 9.51 0.00 -0.19 -1.94 121.76 125.74 2eki s ALA 56 Ca 0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 2eki s ALA 56 Cb -0.04 -0.07 0.12 0.00 0.00 0.00 0.00 23.12 23.13 2eki s ALA 56 CO 0.07 0.03 0.39 -0.51 0.00 0.00 0.00 175.76 175.73 2eki s LEU 57 N 0.07 5.83 0.11 0.00 1.43 -1.23 -0.85 118.68 124.05 2eki s LEU 57 Ca -0.00 -1.87 -0.25 0.00 -1.03 0.00 0.00 54.13 50.98 2eki s LEU 57 Cb -0.02 -2.07 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 2eki s LEU 57 CO -0.00 -0.74 0.78 -0.69 0.23 0.00 0.00 176.35 175.93 2eki s VAL 58 N 1.43 4.54 -0.41 -1.59 1.01 -1.22 -3.17 120.40 120.99 2eki s VAL 58 Ca 0.05 1.69 0.03 0.00 0.00 0.00 0.00 61.98 63.74 2eki s VAL 58 Cb -0.27 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.09 2eki s VAL 58 CO 0.00 0.44 0.17 0.26 0.00 0.00 0.00 175.10 175.97 2eki s TRP 59 N -0.59 2.73 -2.08 5.22 0.51 -0.62 -3.81 118.94 120.30 2eki s TRP 59 Ca 0.38 -2.65 0.00 0.00 -2.12 0.00 0.00 56.10 51.70 2eki s TRP 59 Cb -0.22 -2.38 0.00 0.00 -0.81 0.00 0.00 33.47 30.06 2eki s TRP 59 CO 0.25 -0.83 0.00 0.41 -0.51 0.00 0.00 176.95 176.27 2eki n GLY 60 N 3.86 -1.81 0.11 0.98 0.00 -1.26 -3.76 105.19 103.31 2eki n GLY 60 Ca 0.04 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 45.00 2eki n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eki n LEU 61 N 0.00 0.32 0.29 0.99 7.99 -1.26 -1.20 117.00 124.12 2eki n LEU 61 Ca 0.00 0.59 0.14 0.00 -0.01 0.00 0.00 56.01 56.72 2eki n LEU 61 Cb 0.00 -0.60 0.86 0.00 -0.11 0.00 0.00 43.42 43.57 2eki n LEU 61 CO 0.00 -0.69 1.11 -1.28 -1.51 0.00 0.00 177.39 175.02 2eki h SER 62 N 0.00 0.00 -2.65 -1.43 0.87 -1.96 -3.43 113.55 104.95 2eki h SER 62 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2eki h SER 62 Cb 0.25 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.07 2eki h SER 62 CO 0.00 0.00 -0.67 0.68 -0.53 0.00 0.00 176.83 176.31 2eki s VAL 63 N -4.73 1.78 -0.13 2.23 -7.23 -0.34 -5.07 120.40 106.91 2eki s VAL 63 Ca -0.05 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 57.97 2eki s VAL 63 Cb 0.16 -2.55 -0.24 0.00 0.56 0.00 0.00 36.38 34.30 2eki s VAL 63 CO 0.57 -0.24 0.32 0.29 -0.31 0.00 0.00 175.10 175.73 2eki n LYS 64 N -0.66 0.73 -3.80 4.82 4.01 -1.26 -4.83 118.16 117.16 2eki n LYS 64 Ca -0.05 0.24 -0.28 0.00 -0.51 0.00 0.00 58.31 57.71 2eki n LYS 64 Cb 0.64 -1.69 -0.16 0.00 -0.51 0.00 0.00 35.03 33.30 2eki n LYS 64 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2eki s HIS 65 N -2.56 1.38 0.12 2.13 3.76 -1.26 -5.13 115.29 113.73 2eki s HIS 65 Ca -0.21 -1.02 0.07 0.00 -0.15 0.00 0.00 55.06 53.75 2eki s HIS 65 Cb 0.07 -1.16 -0.04 0.00 1.11 0.00 0.00 32.58 32.56 2eki s HIS 65 CO 0.76 -0.62 -0.07 0.54 -0.85 0.00 0.00 174.74 174.49 2eki s ASN 66 N 1.74 4.51 0.34 1.40 2.20 -1.26 -3.31 114.94 120.56 2eki s ASN 66 Ca -0.01 -0.39 -0.28 0.00 -0.94 0.00 0.00 52.86 51.24 2eki s ASN 66 Cb -0.17 -0.89 -0.09 0.00 -2.00 0.00 0.00 41.25 38.09 2eki s ASN 66 CO -0.07 0.15 1.21 -2.16 -2.94 0.00 0.00 177.10 173.29 2eki s PRO 67 N -2.43 4.31 -0.11 3.55 0.04 -1.26 -5.13 135.00 133.97 2eki s PRO 67 Ca 0.23 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.28 2eki s PRO 67 Cb -0.11 -2.96 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 2eki s PRO 67 CO 0.15 -0.15 -0.13 -1.14 0.04 0.00 0.00 177.00 175.78 2eki s GLN 68 N -1.89 3.14 -0.63 4.56 0.74 -1.21 -5.00 119.66 119.37 2eki s GLN 68 Ca 0.51 -0.68 -0.28 0.00 0.05 0.00 0.00 55.36 54.96 2eki s GLN 68 Cb -0.35 -2.57 0.03 0.00 1.10 0.00 0.00 33.01 31.22 2eki s GLN 68 CO 0.45 0.34 1.27 0.21 -0.55 0.00 0.00 175.29 177.01 2eki s LYS 69 N 0.03 3.36 0.38 1.67 2.20 -1.26 -3.44 119.74 122.68 2eki s LYS 69 Ca -0.04 0.15 0.08 0.00 -0.36 0.00 0.00 55.97 55.79 2eki s LYS 69 Cb -0.14 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.05 2eki s LYS 69 CO 0.04 -1.89 0.23 0.14 -0.36 0.00 0.00 175.35 173.52 2eki s VAL 70 N 5.47 2.76 0.00 4.02 -7.23 -0.03 -4.93 120.40 120.46 2eki s VAL 70 Ca 0.43 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2eki s VAL 70 Cb -0.08 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.85 2eki s VAL 70 CO 0.22 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 2eki n GLY 71 N -1.31 3.61 0.24 2.32 0.00 -1.26 -1.03 105.19 107.76 2eki n GLY 71 Ca -0.01 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 0.64 0.00 1.61 2.85 -1.26 -3.91 118.16 118.09 2eki n LYS 72 Ca 0.00 -0.47 0.13 0.00 -1.05 0.00 0.00 58.31 56.91 2eki n LYS 72 Cb 0.00 -1.49 0.25 0.00 -0.65 0.00 0.00 35.03 33.14 2eki n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2eki n ASP 73 N -0.77 1.99 -4.79 -5.58 2.03 -1.26 -3.54 116.55 104.63 2eki n ASP 73 Ca 0.08 -1.54 -0.35 0.00 0.52 0.00 0.00 54.79 53.50 2eki n ASP 73 Cb 0.38 0.13 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 2eki n ASP 73 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2eki s HIS 74 N -2.21 3.25 -0.09 -0.67 2.46 -1.25 -4.95 115.29 111.83 2eki s HIS 74 Ca 0.28 1.63 -0.14 0.00 0.47 0.00 0.00 55.06 57.30 2eki s HIS 74 Cb 0.20 -3.02 -0.05 0.00 -0.13 0.00 0.00 32.58 29.57 2eki s HIS 74 CO 0.41 -0.47 0.34 0.99 -2.47 0.00 0.00 174.74 173.54 2eki s THR 75 N -1.86 5.21 0.48 0.89 2.01 -1.26 -2.14 115.64 118.97 2eki s THR 75 Ca 0.60 0.67 -0.06 0.00 0.31 0.00 0.00 61.69 63.21 2eki s THR 75 Cb -0.17 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2eki s THR 75 CO 0.22 0.49 0.80 -0.76 -0.69 0.00 0.00 174.62 174.68 2eki s LEU 76 N -0.32 3.62 0.09 4.42 1.43 -1.24 -4.89 118.68 121.79 2eki s LEU 76 Ca 0.20 1.00 0.04 0.00 -1.03 0.00 0.00 54.13 54.34 2eki s LEU 76 Cb -0.15 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 2eki s LEU 76 CO 0.08 -0.58 -0.11 -1.61 0.23 0.00 0.00 176.35 174.37 2eki s GLU 77 N -4.66 0.81 0.64 1.70 0.41 -1.26 -4.83 118.70 111.50 2eki s GLU 77 Ca 0.48 -1.07 -0.18 0.00 -0.41 0.00 0.00 54.97 53.80 2eki s GLU 77 Cb -0.10 -0.58 -0.02 0.00 -1.78 0.00 0.00 34.13 31.65 2eki s GLU 77 CO 0.44 0.10 1.19 -3.47 -0.49 0.00 0.00 175.26 173.03 2eki n ASP 78 N 0.82 1.66 -3.50 -0.19 -0.08 -1.26 -2.38 116.55 111.63 2eki n ASP 78 Ca -0.18 0.82 -0.26 0.00 -1.51 0.00 0.00 54.79 53.66 2eki n ASP 78 Cb 0.57 -1.51 0.01 0.00 2.34 0.00 0.00 41.12 42.53 2eki n ASP 78 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2eki n GLU 79 N -1.68 -4.10 -4.91 -0.67 -0.58 0.85 -4.84 120.64 104.72 2eki n GLU 79 Ca 0.15 0.56 -0.33 0.00 -0.42 0.00 0.00 57.16 57.13 2eki n GLU 79 Cb 0.48 -5.34 -0.13 0.00 -0.57 0.00 0.00 31.44 25.88 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 -2.89 3.97 -0.15 1.62 -1.08 -1.00 -4.95 116.67 112.19 2eki s ASP 80 Ca 0.47 -0.22 -0.09 0.00 -0.52 0.00 0.00 52.55 52.20 2eki s ASP 80 Cb -0.24 -0.85 -0.05 0.00 -1.46 0.00 0.00 42.92 40.32 2eki s ASP 80 CO 0.58 0.34 0.16 -0.69 0.52 0.00 0.00 175.17 176.08 2eki s VAL 81 N -0.68 5.43 0.01 1.11 1.01 -1.25 -1.32 120.40 124.71 2eki s VAL 81 Ca 0.10 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2eki s VAL 81 Cb -0.11 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2eki s VAL 81 CO 0.01 0.52 -0.11 -0.51 0.00 0.00 0.00 175.10 175.00 2eki s ILE 82 N -0.31 0.90 -0.42 2.22 2.07 -0.93 -1.59 121.20 123.14 2eki s ILE 82 Ca 0.12 -0.67 -0.00 0.00 -1.41 0.00 0.00 60.65 58.69 2eki s ILE 82 Cb -0.12 -0.79 0.11 0.00 0.13 0.00 0.00 42.46 41.80 2eki s ILE 82 CO 0.02 0.12 0.19 -1.58 -1.91 0.00 0.00 174.94 171.77 2eki s GLN 83 N -0.62 1.90 -0.50 3.50 0.74 -1.19 -0.21 119.66 123.28 2eki s GLN 83 Ca 0.02 -1.98 -0.27 0.00 0.05 0.00 0.00 55.36 53.18 2eki s GLN 83 Cb -0.06 -3.47 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 2eki s GLN 83 CO 0.00 -1.05 1.81 0.42 -0.55 0.00 0.00 175.29 175.92 2eki s ILE 84 N 0.82 3.44 -0.10 -2.34 -1.09 -1.26 -3.47 121.20 117.21 2eki s ILE 84 Ca 0.11 0.36 -0.13 0.00 -2.23 0.00 0.00 60.65 58.75 2eki s ILE 84 Cb -0.22 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 2eki s ILE 84 CO -0.05 -0.73 0.31 -0.69 -1.23 0.00 0.00 174.94 172.56 2eki s VAL 85 N 8.07 5.24 -0.12 2.92 1.01 -0.82 -4.84 120.40 131.87 2eki s VAL 85 Ca 0.71 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 63.18 2eki s VAL 85 Cb -0.16 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2eki s VAL 85 CO 0.26 0.49 0.24 -0.54 0.00 0.00 0.00 175.10 175.56 2eki s LYS 86 N -0.33 3.90 0.60 2.72 1.02 -1.26 -0.29 119.74 126.09 2eki s LYS 86 Ca 0.19 0.04 -0.02 0.00 0.02 0.00 0.00 55.97 56.20 2eki s LYS 86 Cb -0.14 -3.30 0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2eki s LYS 86 CO 0.07 0.53 0.86 -1.59 -0.92 0.00 0.00 175.35 174.30 2eki s LYS 87 N -0.38 2.50 0.28 1.68 -2.85 0.09 -4.79 119.74 116.26 2eki s LYS 87 Ca 0.16 -0.52 -0.30 0.00 -1.00 0.00 0.00 55.97 54.30 2eki s LYS 87 Cb -0.13 -2.37 -0.12 0.00 -2.06 0.00 0.00 37.83 33.15 2eki s LYS 87 CO 0.05 -0.85 1.64 -1.12 0.10 0.00 0.00 175.35 175.16 2eki s SER 88 N -4.43 6.35 0.00 0.03 0.01 -1.26 -4.94 113.70 109.46 2eki s SER 88 Ca 0.57 2.95 0.00 0.00 1.31 0.00 0.00 55.95 60.78 2eki s SER 88 Cb -0.10 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2eki s SER 88 CO 0.41 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2eki n GLY 89 N 2.60 2.83 0.02 3.44 0.00 -1.26 -5.01 105.19 107.82 2eki n GLY 89 Ca 0.10 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.50 2eki n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eki n PRO 90 N 0.00 0.04 -0.02 1.61 -0.04 -1.26 -3.37 135.00 131.96 2eki n PRO 90 Ca 0.00 0.29 -0.09 0.00 -0.04 0.00 0.00 63.50 63.66 2eki n PRO 90 Cb 0.00 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 2eki n PRO 90 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2eki h SER 91 N 0.00 -0.29 -2.96 3.54 0.02 -1.94 -3.43 113.55 108.49 2eki h SER 91 Ca 0.00 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2eki h SER 91 Cb 0.26 0.16 -0.21 0.00 0.14 0.00 0.00 62.40 62.75 2eki h SER 91 CO 0.00 -0.12 0.04 -0.55 -1.14 0.00 0.00 176.83 175.06 2eki s SER 92 N -5.14 -0.93 0.00 3.07 0.15 -1.22 -5.26 113.70 104.38 2eki s SER 92 Ca -0.14 1.48 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2eki s SER 92 Cb 0.10 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.80 2eki s SER 92 CO 0.68 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.50