#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eki s SER 2 N 0.00 2.44 0.36 1.61 0.15 -1.26 -5.13 113.70 111.87 2eki s SER 2 Ca 0.00 -1.08 -0.27 0.00 0.70 0.00 0.00 55.95 55.30 2eki s SER 2 Cb 0.00 -0.11 -0.09 0.00 -1.71 0.00 0.00 66.02 64.11 2eki s SER 2 CO 0.00 -0.26 1.22 -0.44 1.20 0.00 0.00 173.24 174.96 2eki s SER 3 N -3.32 6.68 -1.09 5.45 0.01 -1.26 -4.96 113.70 115.21 2eki s SER 3 Ca 0.24 2.48 -0.14 0.00 1.31 0.00 0.00 55.95 59.84 2eki s SER 3 Cb 0.01 -2.63 0.18 0.00 0.21 0.00 0.00 66.02 63.79 2eki s SER 3 CO 0.07 -0.58 1.26 -0.83 0.41 0.00 0.00 173.24 173.57 2eki s GLY 4 N -0.84 2.44 -0.04 3.44 0.00 -1.26 -5.01 107.32 106.05 2eki s GLY 4 Ca 0.53 -3.29 -0.18 0.00 0.00 0.00 0.00 44.72 41.78 2eki s GLY 4 CO 0.45 1.87 0.51 -0.45 0.00 0.00 0.00 173.10 175.48 2eki s SER 5 N 2.75 6.84 0.28 1.64 0.15 -1.26 -5.07 113.70 119.02 2eki s SER 5 Ca 0.36 1.00 0.03 0.00 0.70 0.00 0.00 55.95 58.04 2eki s SER 5 Cb -0.05 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2eki s SER 5 CO -0.04 0.12 0.17 -0.55 1.20 0.00 0.00 173.24 174.14 2eki s SER 6 N -0.13 1.17 0.00 5.45 0.15 -1.26 -5.16 113.70 113.92 2eki s SER 6 Ca 0.27 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.39 2eki s SER 6 Cb -0.17 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2eki s SER 6 CO 0.14 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.29 2eki n GLY 7 N -0.50 -0.06 0.00 9.45 0.00 -1.26 -5.03 105.19 107.79 2eki n GLY 7 Ca 0.02 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 0.00 0.00 -2.62 1.61 4.19 -1.26 -4.93 117.16 114.15 2eki n TYR 8 Ca 0.00 -0.12 -0.42 0.00 3.31 0.00 0.00 57.90 60.67 2eki n TYR 8 Cb 0.00 -0.01 -0.01 0.00 0.49 0.00 0.00 39.34 39.80 2eki n TYR 8 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 2eki s LEU 9 N -0.24 3.85 0.73 2.98 1.98 -1.26 -4.94 118.68 121.77 2eki s LEU 9 Ca 0.00 -2.03 -0.11 0.00 -2.89 0.00 0.00 54.13 49.10 2eki s LEU 9 Cb 0.00 -2.55 0.03 0.00 0.66 0.00 0.00 46.19 44.32 2eki s LEU 9 CO 0.00 -1.28 1.07 -0.75 -1.89 0.00 0.00 176.35 173.50 2eki s LYS 10 N 4.28 2.69 -0.05 1.98 2.20 -1.26 -4.89 119.74 124.69 2eki s LYS 10 Ca 0.48 0.77 0.04 0.00 -0.36 0.00 0.00 55.97 56.91 2eki s LYS 10 Cb 0.01 -1.98 -0.00 0.00 -1.51 0.00 0.00 37.83 34.35 2eki s LYS 10 CO -0.01 -1.23 -0.18 -0.51 -0.36 0.00 0.00 175.35 173.06 2eki s LEU 11 N -5.57 1.92 -0.10 5.43 2.01 -1.26 -1.33 118.68 119.78 2eki s LEU 11 Ca 0.59 -0.38 0.04 0.00 0.01 0.00 0.00 54.13 54.38 2eki s LEU 11 Cb -0.14 -1.03 0.00 0.00 0.01 0.00 0.00 46.19 45.04 2eki s LEU 11 CO 0.54 0.15 -0.21 0.68 1.01 0.00 0.00 176.35 178.52 2eki s VAL 12 N 0.08 1.87 0.16 -1.59 -7.23 -0.60 -4.95 120.40 108.14 2eki s VAL 12 Ca -0.05 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 2eki s VAL 12 Cb -0.12 -1.63 -0.07 0.00 0.56 0.00 0.00 36.38 35.11 2eki s VAL 12 CO 0.03 0.52 0.50 -0.13 -0.31 0.00 0.00 175.10 175.70 2eki s ARG 13 N 0.45 3.83 -0.19 4.82 0.52 -1.26 -0.87 118.95 126.25 2eki s ARG 13 Ca -0.17 0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.29 2eki s ARG 13 Cb -0.17 -2.84 0.06 0.00 0.52 0.00 0.00 34.95 32.52 2eki s ARG 13 CO 0.07 0.44 0.03 0.42 0.02 0.00 0.00 175.30 176.28 2eki s ILE 14 N -1.59 0.53 -0.67 1.52 -1.09 -0.53 -1.31 121.20 118.05 2eki s ILE 14 Ca 0.40 -0.54 -0.27 0.00 -2.23 0.00 0.00 60.65 58.01 2eki s ILE 14 Cb -0.13 -1.02 0.02 0.00 -1.58 0.00 0.00 42.46 39.74 2eki s ILE 14 CO 0.20 -0.19 1.39 -0.31 -1.23 0.00 0.00 174.94 174.80 2eki s TYR 15 N 1.86 2.21 0.45 3.97 2.02 -0.58 -2.67 117.35 124.61 2eki s TYR 15 Ca -0.01 0.22 -0.24 0.00 -0.37 0.00 0.00 57.07 56.68 2eki s TYR 15 Cb -0.17 -4.49 -0.07 0.00 -0.40 0.00 0.00 41.96 36.83 2eki s TYR 15 CO -0.08 -2.06 1.23 -0.08 -1.57 0.00 0.00 175.55 173.00 2eki s THR 16 N 6.28 2.81 -0.50 -0.71 -1.32 -1.26 -2.40 115.64 118.53 2eki s THR 16 Ca 0.44 0.64 0.02 0.00 -1.21 0.00 0.00 61.69 61.58 2eki s THR 16 Cb -0.09 -3.34 0.13 0.00 -1.51 0.00 0.00 72.50 67.68 2eki s THR 16 CO 0.19 0.03 0.26 -0.75 -2.21 0.00 0.00 174.62 172.13 2eki s LYS 17 N -2.57 2.02 -0.09 7.08 2.20 0.44 -3.06 119.74 125.76 2eki s LYS 17 Ca 0.62 -2.40 -0.30 0.00 -0.36 0.00 0.00 55.97 53.54 2eki s LYS 17 Cb -0.33 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 2eki s LYS 17 CO 0.41 -1.09 1.52 -1.25 -0.36 0.00 0.00 175.35 174.59 2eki s PRO 18 N 0.10 4.19 -0.40 4.03 0.04 -1.26 -4.42 135.00 137.28 2eki s PRO 18 Ca 0.15 2.01 -0.44 0.00 0.04 0.00 0.00 61.00 62.76 2eki s PRO 18 Cb -0.23 -3.91 -0.18 0.00 0.04 0.00 0.00 34.50 30.21 2eki s PRO 18 CO -0.03 -0.81 1.65 0.36 0.04 0.00 0.00 177.00 178.22 2eki n LYS 19 N 6.97 0.48 0.00 4.56 2.85 -1.26 -1.01 118.16 130.74 2eki n LYS 19 Ca 0.16 0.17 0.00 0.00 -1.05 0.00 0.00 58.31 57.60 2eki n LYS 19 Cb 0.43 -1.75 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 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 4.05 2.77 3.92 2.58 0.00 -1.26 -5.01 105.19 112.24 2eki n GLY 20 Ca 0.29 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 3.17 0.52 1.61 1.11 -0.18 -5.07 119.66 120.82 2eki s GLN 21 Ca 0.00 0.02 -0.18 0.00 0.01 0.00 0.00 55.36 55.21 2eki s GLN 21 Cb 0.00 -2.34 -0.07 0.00 -1.01 0.00 0.00 33.01 29.58 2eki s GLN 21 CO 0.00 -0.46 1.01 -0.51 0.01 0.00 0.00 175.29 175.33 2eki s LEU 22 N -4.85 3.68 -0.04 2.90 1.43 -1.26 -4.12 118.68 116.42 2eki s LEU 22 Ca 0.51 1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 55.02 2eki s LEU 22 Cb -0.10 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.54 2eki s LEU 22 CO 0.44 -0.73 1.48 -2.16 0.23 0.00 0.00 176.35 175.61 2eki s PRO 23 N -3.78 4.23 -0.25 1.29 0.04 -1.26 -4.58 135.00 130.69 2eki s PRO 23 Ca 0.62 2.02 -0.28 0.00 0.04 0.00 0.00 61.00 63.39 2eki s PRO 23 Cb -0.12 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 2eki s PRO 23 CO 0.28 -0.70 1.99 -0.51 0.04 0.00 0.00 177.00 178.10 2eki s ASP 24 N 2.42 5.75 0.00 6.66 1.11 -1.17 -4.82 116.67 126.62 2eki s ASP 24 Ca 0.66 1.68 0.24 0.00 0.18 0.00 0.00 52.55 55.31 2eki s ASP 24 Cb -0.31 -2.52 0.31 0.00 1.07 0.00 0.00 42.92 41.47 2eki s ASP 24 CO 0.26 -1.76 1.28 -1.22 1.18 0.00 0.00 175.17 174.90 2eki n TYR 25 N 10.67 0.00 -0.01 4.23 4.01 -1.26 -3.87 117.16 130.94 2eki n TYR 25 Ca 0.26 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 58.06 2eki n TYR 25 Cb 0.45 -0.14 -0.10 0.00 -0.31 0.00 0.00 39.34 39.25 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 -1.19 0.02 -2.26 -0.72 5.66 -1.26 -4.58 114.28 109.94 2eki n THR 26 Ca 0.07 -0.31 -0.27 0.00 -3.05 0.00 0.00 64.05 60.49 2eki n THR 26 Cb 0.35 0.17 0.01 0.00 -1.55 0.00 0.00 70.33 69.32 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 -1.97 5.04 -4.47 1.09 2.88 -1.26 -5.07 113.62 109.86 2eki n SER 27 Ca -0.03 -3.74 -0.29 0.00 -1.33 0.00 0.00 58.87 53.48 2eki n SER 27 Cb 0.36 -0.47 0.20 0.00 -0.75 0.00 0.00 64.21 63.54 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 -3.60 -0.05 -0.26 -1.46 0.04 -1.25 -4.92 135.00 123.49 2eki s PRO 28 Ca 0.50 0.35 -0.07 0.00 0.04 0.00 0.00 61.00 61.81 2eki s PRO 28 Cb 0.41 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 33.23 2eki s PRO 28 CO -0.12 -3.02 0.07 0.54 0.04 0.00 0.00 177.00 174.52 2eki s VAL 29 N -2.98 4.24 -0.77 -0.36 0.11 -1.09 -4.89 120.40 114.67 2eki s VAL 29 Ca 0.67 -0.29 -0.21 0.00 -2.93 0.00 0.00 61.98 59.22 2eki s VAL 29 Cb -0.16 -3.03 0.09 0.00 -1.53 0.00 0.00 36.38 31.75 2eki s VAL 29 CO 0.57 0.27 1.02 -0.69 -3.33 0.00 0.00 175.10 172.95 2eki s VAL 30 N 1.59 4.50 0.11 2.04 1.01 -1.26 -1.46 120.40 126.94 2eki s VAL 30 Ca 0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 2eki s VAL 30 Cb -0.16 -4.72 -0.06 0.00 0.00 0.00 0.00 36.38 31.44 2eki s VAL 30 CO 0.03 -1.47 0.48 -0.76 0.00 0.00 0.00 175.10 173.39 2eki s LEU 31 N 3.48 4.35 0.22 3.92 1.43 -0.05 -4.86 118.68 127.17 2eki s LEU 31 Ca 0.26 0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 54.02 2eki s LEU 31 Cb -0.12 -3.13 -0.09 0.00 0.03 0.00 0.00 46.19 42.88 2eki s LEU 31 CO 0.02 0.14 1.29 -2.16 0.23 0.00 0.00 176.35 175.86 2eki s PRO 32 N -1.91 4.41 0.11 1.29 0.04 -1.26 -1.55 135.00 136.13 2eki s PRO 32 Ca 0.35 2.05 -0.33 0.00 0.04 0.00 0.00 61.00 63.12 2eki s PRO 32 Cb -0.15 -3.18 -0.12 0.00 0.04 0.00 0.00 34.50 31.10 2eki s PRO 32 CO 0.19 -0.20 1.57 -0.92 0.04 0.00 0.00 177.00 177.68 2eki h TYR 33 N 4.94 -1.36 -1.56 0.56 5.03 -1.55 0.11 116.97 123.12 2eki h TYR 33 Ca -0.45 0.04 0.45 0.00 2.58 0.00 0.00 58.73 61.35 2eki h TYR 33 Cb 1.22 0.58 -0.06 0.00 1.55 0.00 0.00 36.73 40.02 2eki h TYR 33 CO 0.61 -0.56 1.30 0.45 -1.32 0.00 0.00 178.16 178.64 2eki n SER 34 N -5.48 0.00 -3.68 -2.11 2.88 -1.26 -2.71 113.62 101.26 2eki n SER 34 Ca -0.07 0.87 -0.30 0.00 -1.33 0.00 0.00 58.87 58.04 2eki n SER 34 Cb 0.40 -0.39 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 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 -4.61 1.00 -0.26 -1.46 1.81 0.02 -5.07 118.95 110.38 2eki s ARG 35 Ca -0.04 -1.62 -0.01 0.00 -1.72 0.00 0.00 55.73 52.35 2eki s ARG 35 Cb 0.21 -2.08 0.08 0.00 -0.45 0.00 0.00 34.95 32.71 2eki s ARG 35 CO 0.70 -1.11 0.03 0.95 -0.68 0.00 0.00 175.30 175.19 2eki s THR 36 N 0.85 1.06 -0.22 0.02 -4.23 -1.10 -4.10 115.64 107.91 2eki s THR 36 Ca 0.15 -1.16 -0.27 0.00 -1.18 0.00 0.00 61.69 59.23 2eki s THR 36 Cb -0.22 -1.58 0.11 0.00 1.34 0.00 0.00 72.50 72.15 2eki s THR 36 CO -0.07 -0.36 0.95 0.42 -0.54 0.00 0.00 174.62 175.01 2eki s THR 37 N 1.58 0.00 0.30 3.99 -4.23 -1.26 -3.58 115.64 112.44 2eki s THR 37 Ca 0.02 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 2eki s THR 37 Cb -0.18 -1.00 0.35 0.00 1.34 0.00 0.00 72.50 73.01 2eki s THR 37 CO -0.13 0.00 1.61 0.58 -0.54 0.00 0.00 174.62 176.14 2eki h VAL 38 N 3.29 0.17 -0.69 2.29 2.07 -1.52 0.99 116.25 122.85 2eki h VAL 38 Ca -0.25 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.26 2eki h VAL 38 Cb 1.17 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2eki h VAL 38 CO 0.19 0.02 0.45 1.05 0.02 0.00 0.00 177.57 179.30 2eki h GLU 39 N 0.10 0.81 -0.42 1.57 4.11 -1.83 -1.35 114.58 117.58 2eki h GLU 39 Ca 0.58 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.90 2eki h GLU 39 Cb 1.22 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2eki h GLU 39 CO -0.77 0.54 -0.01 0.22 0.07 0.00 0.00 179.01 179.06 2eki h ASP 40 N 0.84 0.65 0.18 3.06 1.82 0.69 -3.00 116.42 120.66 2eki h ASP 40 Ca 0.27 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 2eki h ASP 40 Cb 0.05 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 39.89 2eki h ASP 40 CO -0.07 0.72 -0.09 0.15 -1.61 0.00 0.00 179.24 178.34 2eki h PHE 41 N 0.64 -0.23 -1.25 0.28 3.04 -0.74 -3.11 116.94 115.58 2eki h PHE 41 Ca 0.13 -0.01 0.37 0.00 3.98 0.00 0.00 57.97 62.44 2eki h PHE 41 Cb 0.41 0.07 -0.09 0.00 2.56 0.00 0.00 35.95 38.90 2eki h PHE 41 CO 0.02 0.18 0.84 0.00 -2.02 0.00 0.00 178.31 177.33 2eki h MET 43 N 0.16 0.20 -0.93 0.00 2.86 -1.47 0.95 114.93 116.71 2eki h MET 43 Ca 0.70 -0.07 0.27 0.00 -2.06 0.00 0.00 59.70 58.54 2eki h MET 43 Cb 2.25 -0.01 -0.16 0.00 0.06 0.00 0.00 31.60 33.74 2eki h MET 43 CO -0.25 0.49 0.22 0.87 1.06 0.00 0.00 176.91 179.31 2eki h LYS 44 N -0.11 0.12 0.00 1.72 1.79 -0.35 -3.02 116.57 116.73 2eki h LYS 44 Ca 0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2eki h LYS 44 Cb 0.41 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2eki h LYS 44 CO 0.01 0.08 -0.10 0.82 -1.08 0.00 0.00 179.45 179.18 2eki h ILE 45 N 0.12 0.00 -3.03 1.86 1.08 -1.46 -3.48 117.51 112.60 2eki h ILE 45 Ca 0.61 -0.37 -0.22 0.00 -0.39 0.00 0.00 64.86 64.49 2eki h ILE 45 Cb 1.32 0.00 -0.31 0.00 -3.07 0.00 0.00 36.82 34.76 2eki h ILE 45 CO -0.75 0.00 -0.53 -2.28 -0.69 0.00 0.00 178.15 173.90 2eki s HIS 46 N -1.35 -0.31 0.06 1.37 2.46 0.32 -5.06 115.29 112.78 2eki s HIS 46 Ca -0.03 0.77 -0.34 0.00 0.47 0.00 0.00 55.06 55.93 2eki s HIS 46 Cb 0.00 -0.02 -0.19 0.00 -0.13 0.00 0.00 32.58 32.24 2eki s HIS 46 CO 0.04 -0.26 1.54 0.87 -2.47 0.00 0.00 174.74 174.47 2eki h LYS 47 N 7.57 -1.04 -0.40 2.88 1.57 -1.68 -2.20 116.57 123.26 2eki h LYS 47 Ca -0.32 0.07 0.11 0.00 -1.87 0.00 0.00 60.65 58.64 2eki h LYS 47 Cb 1.14 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 2eki h LYS 47 CO 0.30 -0.69 0.72 -0.97 -0.57 0.00 0.00 179.45 178.25 2eki h ASN 48 N -1.12 0.00 -0.63 0.86 -1.24 -1.95 -0.99 115.58 110.50 2eki h ASN 48 Ca -0.11 0.00 0.13 0.00 0.71 0.00 0.00 56.30 57.03 2eki h ASN 48 Cb 0.84 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 39.77 2eki h ASN 48 CO 0.18 0.00 -0.18 0.25 -1.29 0.00 0.00 177.43 176.39 2eki h LEU 49 N 0.00 -0.66 -1.59 0.34 5.85 -1.68 0.42 115.31 118.00 2eki h LEU 49 Ca 0.19 0.20 0.20 0.00 0.84 0.00 0.00 57.88 59.30 2eki h LEU 49 Cb 1.63 0.42 -0.06 0.00 0.37 0.00 0.00 40.66 43.01 2eki h LEU 49 CO -0.00 -0.22 0.58 -0.29 -0.34 0.00 0.00 178.44 178.16 2eki h ILE 50 N -0.02 0.69 0.00 4.05 6.09 -1.34 1.59 117.51 128.56 2eki h ILE 50 Ca 0.30 -0.12 -0.06 0.00 -1.37 0.00 0.00 64.86 63.61 2eki h ILE 50 Cb 0.48 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 38.07 2eki h ILE 50 CO -0.66 0.06 -0.29 0.11 -3.07 0.00 0.00 178.15 174.30 2eki h LYS 51 N 0.35 0.00 -0.00 2.19 1.57 -0.32 -2.80 116.57 117.56 2eki h LYS 51 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2eki h LYS 51 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2eki h LYS 51 CO -0.14 0.29 -0.58 0.39 -0.57 0.00 0.00 179.45 178.83 2eki n GLU 52 N -4.16 2.12 -1.78 3.15 -0.58 0.12 -4.97 120.64 114.54 2eki n GLU 52 Ca -0.02 -0.21 -0.42 0.00 -0.42 0.00 0.00 57.16 56.09 2eki n GLU 52 Cb 0.34 -1.20 -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 -2.21 1.84 -0.25 -0.32 5.36 0.50 0.34 117.98 123.25 2eki s PHE 53 Ca 0.07 -0.10 -0.10 0.00 -0.96 0.00 0.00 56.93 55.84 2eki s PHE 53 Cb 0.11 -4.13 -0.16 0.00 -0.34 0.00 0.00 43.02 38.50 2eki s PHE 53 CO 0.53 -4.83 -0.16 1.17 -1.46 0.00 0.00 175.22 170.47 2eki n LYS 54 N 6.56 0.62 -3.78 10.12 4.81 0.86 -4.75 118.16 132.61 2eki n LYS 54 Ca 0.18 0.28 -0.02 0.00 -0.87 0.00 0.00 58.31 57.88 2eki n LYS 54 Cb 0.40 -1.56 -0.00 0.00 0.02 0.00 0.00 35.03 33.89 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 -2.50 -0.04 -0.01 5.64 -0.85 -1.17 -4.88 117.35 113.54 2eki s TYR 55 Ca -0.35 -0.24 0.01 0.00 -0.52 0.00 0.00 57.07 55.97 2eki s TYR 55 Cb 0.11 0.63 0.01 0.00 0.38 0.00 0.00 41.96 43.09 2eki s TYR 55 CO 0.57 -0.69 -0.01 0.00 -1.52 0.00 0.00 175.55 173.89 2eki s ALA 56 N -2.68 0.24 -0.53 9.51 0.00 0.15 -1.91 121.76 126.53 2eki s ALA 56 Ca 0.17 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 2eki s ALA 56 Cb -0.00 -0.16 0.11 0.00 0.00 0.00 0.00 23.12 23.06 2eki s ALA 56 CO 0.02 -0.00 0.52 -0.51 0.00 0.00 0.00 175.76 175.78 2eki s LEU 57 N 0.40 5.85 0.06 0.00 1.43 -1.23 -0.55 118.68 124.63 2eki s LEU 57 Ca -0.04 -1.57 -0.28 0.00 -1.03 0.00 0.00 54.13 51.21 2eki s LEU 57 Cb -0.06 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 2eki s LEU 57 CO -0.01 -0.86 0.90 -0.69 0.23 0.00 0.00 176.35 175.92 2eki s VAL 58 N 1.87 4.68 -0.58 -1.59 1.01 -0.85 -3.34 120.40 121.60 2eki s VAL 58 Ca 0.05 1.93 0.05 0.00 0.00 0.00 0.00 61.98 64.01 2eki s VAL 58 Cb -0.27 -4.26 0.34 0.00 0.00 0.00 0.00 36.38 32.19 2eki s VAL 58 CO 0.05 0.28 0.94 0.79 0.00 0.00 0.00 175.10 177.17 2eki n TRP 59 N 3.13 4.01 -3.41 5.22 8.01 -0.26 -3.14 117.44 130.99 2eki n TRP 59 Ca 0.02 -4.00 0.00 0.00 -1.31 0.00 0.00 57.50 52.21 2eki n TRP 59 Cb 0.50 -0.49 0.00 0.00 -2.01 0.00 0.00 31.31 29.31 2eki n TRP 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2eki n GLY 60 N -0.22 4.73 0.09 6.99 0.00 -1.26 -4.14 105.19 111.37 2eki n GLY 60 Ca 0.31 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 0.27 -1.12 0.99 3.38 -1.94 -3.29 115.31 113.60 2eki h LEU 61 Ca 0.00 -0.29 0.32 0.00 0.09 0.00 0.00 57.88 58.00 2eki h LEU 61 Cb 0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2eki h LEU 61 CO 0.00 1.23 1.22 -0.24 0.09 0.00 0.00 178.44 180.74 2eki n SER 62 N -3.46 0.00 -4.89 -0.43 2.88 -1.26 -4.35 113.62 102.12 2eki n SER 62 Ca -0.06 0.77 -0.27 0.00 -1.33 0.00 0.00 58.87 57.98 2eki n SER 62 Cb 1.00 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 64.16 2eki n SER 62 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2eki s VAL 63 N -4.43 1.57 -0.12 2.46 -7.23 -1.24 -5.09 120.40 106.32 2eki s VAL 63 Ca -0.03 -1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 58.50 2eki s VAL 63 Cb 0.15 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 2eki s VAL 63 CO 0.50 0.00 -0.19 0.29 -0.31 0.00 0.00 175.10 175.39 2eki n LYS 64 N -1.70 0.31 -3.85 4.82 5.02 -1.26 -4.96 118.16 116.54 2eki n LYS 64 Ca -0.04 0.13 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 2eki n LYS 64 Cb 0.65 -1.03 -0.13 0.00 -0.02 0.00 0.00 35.03 34.50 2eki n LYS 64 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2eki s HIS 65 N -2.34 3.18 0.11 2.13 3.76 -1.26 -5.10 115.29 115.77 2eki s HIS 65 Ca -0.20 -1.46 0.06 0.00 -0.15 0.00 0.00 55.06 53.31 2eki s HIS 65 Cb 0.06 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 2eki s HIS 65 CO 0.26 -0.71 -0.02 -0.80 -0.85 0.00 0.00 174.74 172.61 2eki s ASN 66 N 1.37 4.85 0.32 1.40 -0.87 -1.26 -3.24 114.94 117.51 2eki s ASN 66 Ca -0.01 -0.26 -0.29 0.00 -1.57 0.00 0.00 52.86 50.74 2eki s ASN 66 Cb -0.18 -1.09 -0.10 0.00 -0.02 0.00 0.00 41.25 39.86 2eki s ASN 66 CO -0.00 0.16 1.22 -2.16 -2.57 0.00 0.00 177.10 173.75 2eki s PRO 67 N -2.39 4.42 -0.13 -0.60 0.04 -1.26 -5.14 135.00 129.94 2eki s PRO 67 Ca 0.25 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 2eki s PRO 67 Cb -0.11 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2eki s PRO 67 CO 0.17 -0.06 -0.05 -1.14 0.04 0.00 0.00 177.00 175.96 2eki s GLN 68 N -1.73 3.38 -0.06 4.56 0.74 -1.19 -4.97 119.66 120.40 2eki s GLN 68 Ca 0.48 -0.53 -0.27 0.00 0.05 0.00 0.00 55.36 55.10 2eki s GLN 68 Cb -0.36 -2.81 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 2eki s GLN 68 CO 0.48 0.38 0.85 0.21 -0.55 0.00 0.00 175.29 176.65 2eki s LYS 69 N -0.02 4.46 0.27 1.67 2.20 -1.26 -2.01 119.74 125.05 2eki s LYS 69 Ca 0.01 1.14 0.02 0.00 -0.36 0.00 0.00 55.97 56.77 2eki s LYS 69 Cb -0.13 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 2eki s LYS 69 CO 0.03 -0.07 0.11 0.14 -0.36 0.00 0.00 175.35 175.20 2eki s VAL 70 N 1.20 0.48 0.00 4.02 -7.23 0.28 -4.94 120.40 114.22 2eki s VAL 70 Ca 0.44 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 2eki s VAL 70 Cb -0.19 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2eki s VAL 70 CO 0.21 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2eki n GLY 71 N -0.49 3.97 0.88 2.32 0.00 -1.26 -0.68 105.19 109.94 2eki n GLY 71 Ca 0.00 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 2.20 0.00 1.61 0.00 -1.26 -3.95 118.16 116.76 2eki n LYS 72 Ca 0.00 -1.76 0.10 0.00 -0.00 0.00 0.00 58.31 56.64 2eki n LYS 72 Cb 0.00 -1.47 0.01 0.00 -0.00 0.00 0.00 35.03 33.57 2eki n LYS 72 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2eki n ASP 73 N 1.08 1.94 -4.78 -5.58 5.75 -1.26 -3.40 116.55 110.29 2eki n ASP 73 Ca 0.16 -1.47 -0.36 0.00 -0.01 0.00 0.00 54.79 53.11 2eki n ASP 73 Cb 0.53 0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 41.00 2eki n ASP 73 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2eki s HIS 74 N -2.15 3.34 -0.11 2.11 2.46 -1.25 -4.93 115.29 114.77 2eki s HIS 74 Ca 0.17 1.66 -0.18 0.00 0.47 0.00 0.00 55.06 57.18 2eki s HIS 74 Cb 0.16 -3.07 -0.04 0.00 -0.13 0.00 0.00 32.58 29.49 2eki s HIS 74 CO 0.47 -0.44 0.48 0.99 -2.47 0.00 0.00 174.74 173.76 2eki s THR 75 N -1.69 5.16 0.15 0.89 2.01 -1.26 -1.68 115.64 119.23 2eki s THR 75 Ca 0.57 0.97 -0.26 0.00 0.31 0.00 0.00 61.69 63.28 2eki s THR 75 Cb -0.20 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.41 2eki s THR 75 CO 0.26 0.34 0.79 -0.76 -0.69 0.00 0.00 174.62 174.56 2eki s LEU 76 N 0.49 4.57 0.19 4.42 1.43 -1.23 -4.89 118.68 123.65 2eki s LEU 76 Ca 0.26 1.64 0.08 0.00 -1.03 0.00 0.00 54.13 55.08 2eki s LEU 76 Cb -0.15 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 2eki s LEU 76 CO 0.11 0.17 0.01 -1.61 0.23 0.00 0.00 176.35 175.26 2eki s GLU 77 N -0.95 2.42 0.37 1.70 8.01 -1.26 -4.76 118.70 124.23 2eki s GLU 77 Ca 0.37 -1.14 -0.28 0.00 0.01 0.00 0.00 54.97 53.93 2eki s GLU 77 Cb -0.23 -2.35 -0.10 0.00 -4.31 0.00 0.00 34.13 27.14 2eki s GLU 77 CO 0.26 0.44 1.40 0.16 0.01 0.00 0.00 175.26 177.53 2eki s ASP 78 N -3.07 6.44 -1.07 -0.19 -4.77 -1.26 -3.20 116.67 109.54 2eki s ASP 78 Ca 0.28 2.86 -0.01 0.00 -3.30 0.00 0.00 52.55 52.39 2eki s ASP 78 Cb -0.09 -2.66 -0.01 0.00 -1.09 0.00 0.00 42.92 39.07 2eki s ASP 78 CO 0.19 -0.79 0.90 -0.62 0.70 0.00 0.00 175.17 175.56 2eki n GLU 79 N 0.46 -5.42 -4.50 2.11 1.02 -0.43 -4.89 120.64 109.00 2eki n GLU 79 Ca 0.01 0.78 -0.20 0.00 -0.02 0.00 0.00 57.16 57.73 2eki n GLU 79 Cb 0.41 -5.56 -0.15 0.00 -0.02 0.00 0.00 31.44 26.12 2eki n GLU 79 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2eki s ASP 80 N -4.10 1.35 -0.15 1.62 1.11 -1.19 -4.87 116.67 110.43 2eki s ASP 80 Ca 0.07 -0.21 -0.10 0.00 0.18 0.00 0.00 52.55 52.48 2eki s ASP 80 Cb -0.01 -0.15 -0.05 0.00 1.07 0.00 0.00 42.92 43.79 2eki s ASP 80 CO 0.67 0.14 0.19 -0.69 1.18 0.00 0.00 175.17 176.66 2eki s VAL 81 N -0.28 5.39 0.01 -1.27 1.01 -1.26 -1.53 120.40 122.47 2eki s VAL 81 Ca 0.04 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2eki s VAL 81 Cb -0.04 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2eki s VAL 81 CO -0.00 0.49 -0.11 -0.51 0.00 0.00 0.00 175.10 174.97 2eki s ILE 82 N -0.14 0.86 -0.37 2.22 2.07 -1.01 -1.10 121.20 123.74 2eki s ILE 82 Ca 0.13 -0.61 0.03 0.00 -1.41 0.00 0.00 60.65 58.79 2eki s ILE 82 Cb -0.12 -0.75 0.10 0.00 0.13 0.00 0.00 42.46 41.82 2eki s ILE 82 CO 0.02 0.14 0.09 -1.58 -1.91 0.00 0.00 174.94 171.70 2eki s GLN 83 N -0.54 1.59 -0.15 3.50 0.74 -1.21 -0.42 119.66 123.17 2eki s GLN 83 Ca 0.03 -1.94 -0.29 0.00 0.05 0.00 0.00 55.36 53.20 2eki s GLN 83 Cb -0.05 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.75 2eki s GLN 83 CO 0.00 -0.97 1.81 0.42 -0.55 0.00 0.00 175.29 175.99 2eki s ILE 84 N 0.82 3.42 -0.36 -2.34 -1.09 -1.26 -3.56 121.20 116.82 2eki s ILE 84 Ca 0.11 0.47 -0.07 0.00 -2.23 0.00 0.00 60.65 58.94 2eki s ILE 84 Cb -0.20 -3.41 0.05 0.00 -1.58 0.00 0.00 42.46 37.32 2eki s ILE 84 CO -0.07 -0.16 0.15 -0.69 -1.23 0.00 0.00 174.94 172.94 2eki s VAL 85 N 5.52 3.92 -0.09 2.92 1.01 -0.80 -4.87 120.40 128.01 2eki s VAL 85 Ca 0.81 -1.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 2eki s VAL 85 Cb -0.31 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2eki s VAL 85 CO 0.33 -0.27 0.92 -0.54 0.00 0.00 0.00 175.10 175.54 2eki s LYS 86 N 1.41 4.43 1.13 2.72 1.02 -1.26 -0.10 119.74 129.09 2eki s LYS 86 Ca -0.00 1.24 -0.15 0.00 0.02 0.00 0.00 55.97 57.08 2eki s LYS 86 Cb -0.20 -3.52 0.25 0.00 -0.52 0.00 0.00 37.83 33.84 2eki s LYS 86 CO 0.03 -0.20 1.07 -1.59 -0.92 0.00 0.00 175.35 173.74 2eki s LYS 87 N 1.63 -0.61 -0.70 1.68 -2.85 0.15 -4.83 119.74 114.22 2eki s LYS 87 Ca 0.45 0.34 -0.02 0.00 -1.00 0.00 0.00 55.97 55.75 2eki s LYS 87 Cb -0.18 -1.63 0.42 0.00 -2.06 0.00 0.00 37.83 34.38 2eki s LYS 87 CO 0.19 -3.39 1.99 -1.13 0.10 0.00 0.00 175.35 173.11 2eki n SER 88 N -4.61 7.51 0.00 0.03 3.41 -1.26 -4.96 113.62 113.74 2eki n SER 88 Ca 0.08 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.88 2eki n SER 88 Cb 0.58 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2eki n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eki n GLY 89 N -0.80 -0.83 3.77 5.00 0.00 -1.26 -5.01 105.19 106.05 2eki n GLY 89 Ca 0.59 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 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 0.00 4.20 -0.01 1.61 0.04 -1.26 -4.97 135.00 134.61 2eki s PRO 90 Ca 0.00 1.95 -0.25 0.00 0.04 0.00 0.00 61.00 62.75 2eki s PRO 90 Cb 0.00 -2.85 -0.18 0.00 0.04 0.00 0.00 34.50 31.51 2eki s PRO 90 CO 0.00 -0.23 1.25 1.03 0.04 0.00 0.00 177.00 179.09 2eki h SER 91 N 2.98 -0.12 -3.57 6.66 0.87 -2.03 -3.40 113.55 114.93 2eki h SER 91 Ca -0.49 -0.34 -0.67 0.00 -1.23 0.00 0.00 61.79 59.07 2eki h SER 91 Cb 1.23 0.03 -0.16 0.00 -0.44 0.00 0.00 62.40 63.06 2eki h SER 91 CO 0.64 0.30 -0.02 -0.44 -0.53 0.00 0.00 176.83 176.78 2eki s SER 92 N -5.45 6.28 0.00 6.23 0.01 -1.26 -5.22 113.70 114.29 2eki s SER 92 Ca -0.15 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2eki s SER 92 Cb 0.02 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2eki s SER 92 CO 0.61 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 174.20