#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 6.50 -0.56 1.61 0.15 -1.26 -5.00 113.70 115.14 2eki s SER 2 Ca 0.00 0.11 -0.08 0.00 0.70 0.00 0.00 55.95 56.68 2eki s SER 2 Cb 0.00 -2.44 0.14 0.00 -1.71 0.00 0.00 66.02 62.02 2eki s SER 2 CO 0.00 -1.01 0.43 -0.44 1.20 0.00 0.00 173.24 173.42 2eki s SER 3 N 2.21 5.72 -0.41 5.45 0.01 -1.26 -4.95 113.70 120.48 2eki s SER 3 Ca 0.36 -2.28 0.07 0.00 1.31 0.00 0.00 55.95 55.41 2eki s SER 3 Cb -0.11 -1.99 0.25 0.00 0.21 0.00 0.00 66.02 64.38 2eki s SER 3 CO 0.25 -0.58 0.59 0.61 0.41 0.00 0.00 173.24 174.51 2eki n GLY 4 N 4.39 2.27 3.45 3.44 0.00 -1.26 -5.13 105.19 112.34 2eki n GLY 4 Ca -0.00 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 2eki n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eki n SER 5 N 1.51 -1.55 -4.34 1.61 7.64 -1.26 -5.03 113.62 112.20 2eki n SER 5 Ca 0.19 0.07 -0.28 0.00 1.01 0.00 0.00 58.87 59.85 2eki n SER 5 Cb 0.55 -1.21 -0.14 0.00 -1.01 0.00 0.00 64.21 62.40 2eki n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eki s SER 6 N -2.22 3.06 0.00 6.43 1.04 -1.26 -4.84 113.70 115.90 2eki s SER 6 Ca 0.63 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2eki s SER 6 Cb -0.21 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2eki s SER 6 CO 0.64 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.67 2eki n GLY 7 N 1.38 0.25 1.25 7.32 0.00 -1.26 -4.84 105.19 109.30 2eki n GLY 7 Ca -0.18 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 1.08 -1.70 1.61 0.18 -1.26 -4.81 117.16 112.26 2eki n TYR 8 Ca 0.00 -0.59 -0.42 0.00 1.88 0.00 0.00 57.90 58.78 2eki n TYR 8 Cb 0.00 -0.14 -0.02 0.00 -0.38 0.00 0.00 39.34 38.79 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 0.95 5.52 -4.48 -3.48 4.77 -1.26 -4.90 117.00 114.12 2eki n LEU 9 Ca 0.22 -3.68 -0.37 0.00 -0.03 0.00 0.00 56.01 52.15 2eki n LEU 9 Cb 0.72 -1.52 0.06 0.00 -2.33 0.00 0.00 43.42 40.35 2eki n LEU 9 CO 0.18 0.34 0.10 1.17 -1.33 0.00 0.00 177.39 177.85 2eki n LYS 10 N 6.84 0.43 -3.91 3.23 3.00 -1.26 -4.76 118.16 121.72 2eki n LYS 10 Ca 0.50 0.18 -0.35 0.00 -0.00 0.00 0.00 58.31 58.64 2eki n LYS 10 Cb 0.41 -1.81 -0.11 0.00 0.00 0.00 0.00 35.03 33.52 2eki n LYS 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2eki s LEU 11 N -0.01 3.66 -0.27 3.14 2.01 -1.26 -1.81 118.68 124.14 2eki s LEU 11 Ca 0.68 -0.04 0.03 0.00 0.01 0.00 0.00 54.13 54.80 2eki s LEU 11 Cb -0.39 -1.95 0.07 0.00 0.01 0.00 0.00 46.19 43.93 2eki s LEU 11 CO 0.56 0.08 -0.08 -0.69 1.01 0.00 0.00 176.35 177.23 2eki s VAL 12 N 0.95 2.18 0.38 -1.59 1.01 -0.64 -4.89 120.40 117.79 2eki s VAL 12 Ca 0.04 -1.76 -0.11 0.00 0.00 0.00 0.00 61.98 60.15 2eki s VAL 12 Cb -0.14 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.83 2eki s VAL 12 CO 0.03 -0.14 0.74 -0.13 0.00 0.00 0.00 175.10 175.60 2eki s ARG 13 N 1.07 3.80 -0.12 2.72 3.00 -1.26 -0.76 118.95 127.40 2eki s ARG 13 Ca -0.05 0.46 -0.04 0.00 0.00 0.00 0.00 55.73 56.10 2eki s ARG 13 Cb -0.20 -2.42 0.05 0.00 0.00 0.00 0.00 34.95 32.38 2eki s ARG 13 CO -0.06 0.02 0.11 0.42 0.00 0.00 0.00 175.30 175.79 2eki s ILE 14 N -2.27 -0.15 -0.59 1.52 -1.09 -0.56 -2.27 121.20 115.79 2eki s ILE 14 Ca 0.51 0.09 -0.23 0.00 -2.23 0.00 0.00 60.65 58.79 2eki s ILE 14 Cb -0.10 -0.42 0.06 0.00 -1.58 0.00 0.00 42.46 40.41 2eki s ILE 14 CO 0.29 -0.08 0.91 -0.31 -1.23 0.00 0.00 174.94 174.52 2eki s TYR 15 N 2.19 2.78 0.35 3.97 2.02 -0.72 -2.54 117.35 125.41 2eki s TYR 15 Ca 0.04 -0.31 -0.27 0.00 -0.37 0.00 0.00 57.07 56.15 2eki s TYR 15 Cb -0.14 -4.09 -0.09 0.00 -0.40 0.00 0.00 41.96 37.23 2eki s TYR 15 CO -0.07 -1.43 1.24 -0.08 -1.57 0.00 0.00 175.55 173.65 2eki s THR 16 N 3.81 2.90 -0.25 -0.71 -1.32 -1.26 -2.27 115.64 116.54 2eki s THR 16 Ca 0.25 0.86 0.01 0.00 -1.21 0.00 0.00 61.69 61.59 2eki s THR 16 Cb -0.15 -3.52 0.04 0.00 -1.51 0.00 0.00 72.50 67.36 2eki s THR 16 CO 0.14 0.16 -0.09 -0.75 -2.21 0.00 0.00 174.62 171.88 2eki s LYS 17 N -1.94 2.55 1.23 7.08 2.20 -0.48 -3.10 119.74 127.27 2eki s LYS 17 Ca 0.52 -1.16 -0.20 0.00 -0.36 0.00 0.00 55.97 54.77 2eki s LYS 17 Cb -0.36 -2.92 0.30 0.00 -1.51 0.00 0.00 37.83 33.33 2eki s LYS 17 CO 0.47 -0.48 1.11 -1.25 -0.36 0.00 0.00 175.35 174.85 2eki s PRO 18 N 1.22 -1.43 -0.71 4.03 0.04 -1.26 -4.20 135.00 132.69 2eki s PRO 18 Ca -0.04 -0.14 -0.21 0.00 0.04 0.00 0.00 61.00 60.65 2eki s PRO 18 Cb -0.18 -1.58 0.09 0.00 0.04 0.00 0.00 34.50 32.88 2eki s PRO 18 CO -0.05 -3.83 0.93 0.15 0.04 0.00 0.00 177.00 174.24 2eki s LYS 19 N -5.46 3.21 0.00 4.56 -0.14 -1.26 -4.29 119.74 116.35 2eki s LYS 19 Ca 0.72 -1.19 0.00 0.00 -1.36 0.00 0.00 55.97 54.14 2eki s LYS 19 Cb -0.08 -4.39 0.00 0.00 -1.68 0.00 0.00 37.83 31.67 2eki s LYS 19 CO 0.56 -1.73 0.00 0.41 -0.76 0.00 0.00 175.35 173.83 2eki n GLY 20 N 5.33 3.10 3.87 -3.33 0.00 -1.26 -5.05 105.19 107.85 2eki n GLY 20 Ca 0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 2.40 0.49 1.61 -0.21 -1.26 -5.05 119.66 117.64 2eki s GLN 21 Ca 0.00 0.38 -0.18 0.00 0.02 0.00 0.00 55.36 55.58 2eki s GLN 21 Cb 0.00 -1.98 -0.09 0.00 1.00 0.00 0.00 33.01 31.95 2eki s GLN 21 CO 0.00 -1.35 0.98 -0.48 -2.12 0.00 0.00 175.29 172.33 2eki s LEU 22 N -5.52 3.73 -0.16 2.90 0.05 -1.26 -4.21 118.68 114.20 2eki s LEU 22 Ca 0.60 1.65 -0.29 0.00 0.05 0.00 0.00 54.13 56.14 2eki s LEU 22 Cb -0.12 -4.52 -0.03 0.00 -2.05 0.00 0.00 46.19 39.46 2eki s LEU 22 CO 0.51 -0.57 1.57 -2.16 -0.55 0.00 0.00 176.35 175.15 2eki s PRO 23 N -3.72 3.99 -0.42 1.48 0.04 -1.26 -4.56 135.00 130.55 2eki s PRO 23 Ca 0.61 1.83 -0.35 0.00 0.04 0.00 0.00 61.00 63.12 2eki s PRO 23 Cb -0.11 -3.97 -0.13 0.00 0.04 0.00 0.00 34.50 30.33 2eki s PRO 23 CO 0.25 -1.05 2.23 -0.25 0.04 0.00 0.00 177.00 178.22 2eki n ASP 24 N 7.71 1.86 -0.67 6.66 9.92 -1.18 -4.78 116.55 136.08 2eki n ASP 24 Ca 0.17 0.36 0.13 0.00 -0.53 0.00 0.00 54.79 54.92 2eki n ASP 24 Cb 0.44 -1.22 0.25 0.00 -0.64 0.00 0.00 41.12 39.96 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 10.04 0.00 0.26 1.24 4.01 -1.26 -4.01 117.16 127.44 2eki n TYR 25 Ca 0.44 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 58.21 2eki n TYR 25 Cb 0.21 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.58 0.00 -2.54 -0.72 5.66 -1.26 -4.67 114.28 111.34 2eki n THR 26 Ca 0.15 -0.31 -0.23 0.00 -3.05 0.00 0.00 64.05 60.61 2eki n THR 26 Cb 0.48 0.87 0.01 0.00 -1.55 0.00 0.00 70.33 70.14 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 -1.27 3.93 -4.75 1.09 7.64 -1.26 -5.09 113.62 113.91 2eki n SER 27 Ca 0.01 -3.48 -0.31 0.00 1.01 0.00 0.00 58.87 56.10 2eki n SER 27 Cb 0.12 -0.48 0.11 0.00 -1.01 0.00 0.00 64.21 62.95 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 -3.44 1.91 -0.24 1.43 0.04 -1.26 -4.91 135.00 128.54 2eki s PRO 28 Ca 0.43 1.05 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 2eki s PRO 28 Cb 0.41 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 33.05 2eki s PRO 28 CO -0.14 -1.85 0.07 0.54 0.04 0.00 0.00 177.00 175.67 2eki s VAL 29 N -2.91 4.39 -0.59 -0.36 0.11 -1.05 -4.92 120.40 115.06 2eki s VAL 29 Ca 0.62 -0.15 -0.23 0.00 -2.93 0.00 0.00 61.98 59.29 2eki s VAL 29 Cb -0.17 -3.04 0.05 0.00 -1.53 0.00 0.00 36.38 31.69 2eki s VAL 29 CO 0.56 0.35 0.93 -0.69 -3.33 0.00 0.00 175.10 172.93 2eki s VAL 30 N 1.47 4.38 -0.04 2.04 1.01 -1.26 -1.50 120.40 126.50 2eki s VAL 30 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 2eki s VAL 30 Cb -0.15 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 2eki s VAL 30 CO 0.04 -1.24 0.14 -0.76 0.00 0.00 0.00 175.10 173.27 2eki s LEU 31 N 3.93 4.22 0.00 3.92 1.43 0.06 -4.95 118.68 127.30 2eki s LEU 31 Ca 0.26 0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 53.38 2eki s LEU 31 Cb -0.15 -2.34 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 2eki s LEU 31 CO 0.15 0.31 1.44 -2.16 0.23 0.00 0.00 176.35 176.33 2eki s PRO 32 N -1.59 4.26 0.04 1.29 0.04 -1.25 -1.62 135.00 136.17 2eki s PRO 32 Ca 0.22 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.18 2eki s PRO 32 Cb -0.12 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2eki s PRO 32 CO 0.13 -0.62 1.17 -0.92 0.04 0.00 0.00 177.00 176.80 2eki h TYR 33 N 8.00 -0.55 -0.74 0.56 5.03 -1.66 0.91 116.97 128.53 2eki h TYR 33 Ca -0.38 0.03 0.29 0.00 2.58 0.00 0.00 58.73 61.25 2eki h TYR 33 Cb 1.18 0.26 -0.13 0.00 1.55 0.00 0.00 36.73 39.59 2eki h TYR 33 CO 0.76 -0.15 0.34 0.43 -1.32 0.00 0.00 178.16 178.23 2eki n SER 34 N -3.58 0.21 -4.01 -2.11 7.64 -1.26 -2.71 113.62 107.79 2eki n SER 34 Ca -0.01 1.22 -0.32 0.00 1.01 0.00 0.00 58.87 60.78 2eki n SER 34 Cb 0.10 -0.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.59 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 -5.19 1.75 -0.11 1.43 1.81 0.31 -5.05 118.95 113.89 2eki s ARG 35 Ca -0.07 -2.14 -0.04 0.00 -1.72 0.00 0.00 55.73 51.76 2eki s ARG 35 Cb 0.25 -3.31 0.05 0.00 -0.45 0.00 0.00 34.95 31.48 2eki s ARG 35 CO 0.57 -1.02 0.07 0.95 -0.68 0.00 0.00 175.30 175.20 2eki s THR 36 N 0.50 -0.08 -0.03 0.02 -4.23 -1.10 -3.94 115.64 106.78 2eki s THR 36 Ca 0.13 0.10 -0.29 0.00 -1.18 0.00 0.00 61.69 60.46 2eki s THR 36 Cb -0.22 -0.39 0.10 0.00 1.34 0.00 0.00 72.50 73.34 2eki s THR 36 CO -0.05 -0.06 0.86 0.42 -0.54 0.00 0.00 174.62 175.24 2eki s THR 37 N 2.15 0.00 0.28 3.99 -4.23 -1.26 -3.62 115.64 112.94 2eki s THR 37 Ca 0.03 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 2eki s THR 37 Cb -0.14 -1.00 0.27 0.00 1.34 0.00 0.00 72.50 72.97 2eki s THR 37 CO -0.06 0.00 1.75 0.58 -0.54 0.00 0.00 174.62 176.34 2eki h VAL 38 N 2.24 0.65 0.00 2.29 2.07 -1.65 0.60 116.25 122.45 2eki h VAL 38 Ca -0.23 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2eki h VAL 38 Cb 1.22 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2eki h VAL 38 CO 0.33 0.11 -0.03 1.05 0.02 0.00 0.00 177.57 179.05 2eki h GLU 39 N 0.59 0.00 0.10 1.57 4.11 -1.86 -2.39 114.58 116.70 2eki h GLU 39 Ca 0.52 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.68 2eki h GLU 39 Cb 0.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2eki h GLU 39 CO -0.41 0.03 -1.28 -0.44 0.07 0.00 0.00 179.01 176.97 2eki h ASP 40 N 0.00 0.34 -0.06 3.06 5.19 -0.22 -3.26 116.42 121.47 2eki h ASP 40 Ca -0.00 -0.39 -0.19 0.00 -0.62 0.00 0.00 57.03 55.83 2eki h ASP 40 Cb 0.60 -0.11 0.01 0.00 0.18 0.00 0.00 39.33 40.01 2eki h ASP 40 CO 0.00 1.31 -0.70 0.15 -3.12 0.00 0.00 179.24 176.89 2eki h PHE 41 N 0.06 0.82 -0.96 4.55 3.04 -0.93 -3.25 116.94 120.27 2eki h PHE 41 Ca -0.14 -0.40 0.12 0.00 3.98 0.00 0.00 57.97 61.53 2eki h PHE 41 Cb 1.95 -0.11 -0.08 0.00 2.56 0.00 0.00 35.95 40.27 2eki h PHE 41 CO 0.05 1.22 0.58 0.00 -2.02 0.00 0.00 178.31 178.14 2eki h MET 43 N 0.91 0.49 -0.78 0.00 2.86 -1.59 0.34 114.93 117.16 2eki h MET 43 Ca 0.48 -0.03 0.18 0.00 -2.06 0.00 0.00 59.70 58.27 2eki h MET 43 Cb 0.51 -0.11 -0.12 0.00 0.06 0.00 0.00 31.60 31.93 2eki h MET 43 CO -0.28 0.33 0.17 0.87 1.06 0.00 0.00 176.91 179.06 2eki h LYS 44 N 0.51 0.23 0.00 1.72 1.79 -1.31 -3.18 116.57 116.32 2eki h LYS 44 Ca 0.18 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2eki h LYS 44 Cb 0.04 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2eki h LYS 44 CO -0.10 0.15 -0.05 0.82 -1.08 0.00 0.00 179.45 179.19 2eki h ILE 45 N 0.23 0.00 -2.86 1.86 1.08 -1.38 -3.48 117.51 112.96 2eki h ILE 45 Ca 0.45 -0.35 -0.16 0.00 -0.39 0.00 0.00 64.86 64.41 2eki h ILE 45 Cb 0.82 0.00 -0.28 0.00 -3.07 0.00 0.00 36.82 34.29 2eki h ILE 45 CO -0.57 0.00 -0.39 -2.28 -0.69 0.00 0.00 178.15 174.22 2eki s HIS 46 N -1.26 -0.44 0.06 1.37 2.46 0.12 -5.07 115.29 112.52 2eki s HIS 46 Ca -0.01 1.00 -0.33 0.00 0.47 0.00 0.00 55.06 56.18 2eki s HIS 46 Cb 0.00 0.15 -0.19 0.00 -0.13 0.00 0.00 32.58 32.41 2eki s HIS 46 CO 0.02 -0.27 1.54 0.87 -2.47 0.00 0.00 174.74 174.43 2eki h LYS 47 N 6.97 -0.95 -0.42 2.88 6.56 -1.71 -2.28 116.57 127.62 2eki h LYS 47 Ca -0.37 0.06 0.12 0.00 -1.06 0.00 0.00 60.65 59.40 2eki h LYS 47 Cb 1.17 0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 33.03 2eki h LYS 47 CO 0.33 -0.62 0.56 -0.91 -2.06 0.00 0.00 179.45 176.76 2eki h ASN 48 N -1.03 0.00 -0.80 0.86 2.35 -1.96 -2.29 115.58 112.71 2eki h ASN 48 Ca -0.10 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.76 2eki h ASN 48 Cb 0.76 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.01 2eki h ASN 48 CO 0.16 0.00 -0.43 0.25 -1.65 0.00 0.00 177.43 175.76 2eki h LEU 49 N 0.00 -1.56 -1.80 1.61 5.85 -1.71 0.92 115.31 118.63 2eki h LEU 49 Ca 0.20 0.28 0.39 0.00 0.84 0.00 0.00 57.88 59.59 2eki h LEU 49 Cb 1.32 0.75 -0.07 0.00 0.37 0.00 0.00 40.66 43.02 2eki h LEU 49 CO -0.00 -0.30 0.93 -0.29 -0.34 0.00 0.00 178.44 178.44 2eki h ILE 50 N -0.10 0.31 -0.54 4.05 6.09 -1.57 1.06 117.51 126.81 2eki h ILE 50 Ca 0.24 -0.03 -0.11 0.00 -1.37 0.00 0.00 64.86 63.59 2eki h ILE 50 Cb 0.55 0.22 -0.02 0.00 0.47 0.00 0.00 36.82 38.04 2eki h ILE 50 CO -0.84 0.01 -0.11 0.11 -3.07 0.00 0.00 178.15 174.26 2eki h LYS 51 N 0.08 1.02 0.00 2.19 1.57 0.70 -2.97 116.57 119.16 2eki h LYS 51 Ca 0.68 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2eki h LYS 51 Cb 2.46 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.70 2eki h LYS 51 CO -0.12 1.06 -0.78 0.39 -0.57 0.00 0.00 179.45 179.43 2eki n GLU 52 N -4.14 0.13 -1.87 3.15 -0.58 0.25 -4.88 120.64 112.71 2eki n GLU 52 Ca 0.02 0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.34 2eki n GLU 52 Cb 0.40 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 29.69 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 -3.09 1.63 -0.20 -0.32 5.36 0.30 -1.00 117.98 120.65 2eki s PHE 53 Ca 0.07 0.38 -0.17 0.00 -0.96 0.00 0.00 56.93 56.25 2eki s PHE 53 Cb 0.16 -4.04 -0.19 0.00 -0.34 0.00 0.00 43.02 38.60 2eki s PHE 53 CO 0.76 -3.75 0.15 1.17 -1.46 0.00 0.00 175.22 172.09 2eki n LYS 54 N 8.09 0.61 -3.80 10.12 4.81 -0.67 -4.86 118.16 132.46 2eki n LYS 54 Ca 0.23 0.46 -0.05 0.00 -0.87 0.00 0.00 58.31 58.08 2eki n LYS 54 Cb 0.45 -1.70 -0.01 0.00 0.02 0.00 0.00 35.03 33.79 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 -2.42 -0.11 -0.01 5.64 -0.85 -1.26 -4.92 117.35 113.42 2eki s TYR 55 Ca -0.29 -0.28 0.02 0.00 -0.52 0.00 0.00 57.07 56.00 2eki s TYR 55 Cb 0.07 0.68 -0.00 0.00 0.38 0.00 0.00 41.96 43.09 2eki s TYR 55 CO 0.61 -1.03 -0.07 0.00 -1.52 0.00 0.00 175.55 173.55 2eki s ALA 56 N -3.33 0.57 -0.58 9.51 0.00 -0.82 -3.03 121.76 124.07 2eki s ALA 56 Ca 0.13 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 2eki s ALA 56 Cb -0.03 -0.16 0.15 0.00 0.00 0.00 0.00 23.12 23.07 2eki s ALA 56 CO 0.05 0.13 0.43 -0.51 0.00 0.00 0.00 175.76 175.85 2eki s LEU 57 N -0.07 5.57 0.34 0.00 1.43 -1.24 -0.55 118.68 124.16 2eki s LEU 57 Ca 0.01 -2.47 -0.26 0.00 -1.03 0.00 0.00 54.13 50.38 2eki s LEU 57 Cb -0.04 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 2eki s LEU 57 CO -0.00 -0.51 1.04 -0.69 0.23 0.00 0.00 176.35 176.42 2eki s VAL 58 N 0.51 3.75 -0.41 -1.59 1.01 -1.21 -3.67 120.40 118.78 2eki s VAL 58 Ca 0.13 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.63 2eki s VAL 58 Cb -0.21 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.44 2eki s VAL 58 CO -0.04 0.17 0.18 0.26 0.00 0.00 0.00 175.10 175.67 2eki s TRP 59 N -1.47 2.42 -4.52 5.22 0.51 -0.82 -3.63 118.94 116.64 2eki s TRP 59 Ca 0.52 -2.50 0.00 0.00 -2.12 0.00 0.00 56.10 51.99 2eki s TRP 59 Cb -0.25 -2.18 0.00 0.00 -0.81 0.00 0.00 33.47 30.23 2eki s TRP 59 CO 0.31 -0.82 0.00 0.41 -0.51 0.00 0.00 176.95 176.34 2eki n GLY 60 N 3.86 -0.64 0.36 0.98 0.00 -1.26 -3.95 105.19 104.54 2eki n GLY 60 Ca 0.05 -1.09 0.07 0.00 0.00 0.00 0.00 46.02 45.05 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 0.73 -1.17 0.99 3.38 -1.94 -1.92 115.31 115.37 2eki h LEU 61 Ca 0.00 0.01 0.34 0.00 0.09 0.00 0.00 57.88 58.32 2eki h LEU 61 Cb 0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2eki h LEU 61 CO 0.00 0.45 1.21 -0.24 0.09 0.00 0.00 178.44 179.96 2eki n SER 62 N -4.49 0.00 -4.10 -0.43 2.88 -1.26 -4.28 113.62 101.93 2eki n SER 62 Ca 0.12 0.77 -0.11 0.00 -1.33 0.00 0.00 58.87 58.32 2eki n SER 62 Cb 0.26 -0.29 -0.11 0.00 -0.75 0.00 0.00 64.21 63.32 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 -4.42 0.55 0.07 2.46 -7.23 -0.72 -5.06 120.40 106.05 2eki s VAL 63 Ca -0.03 -1.44 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 2eki s VAL 63 Cb 0.16 -1.05 -0.29 0.00 0.56 0.00 0.00 36.38 35.76 2eki s VAL 63 CO 0.53 -0.61 1.12 0.11 -0.31 0.00 0.00 175.10 175.94 2eki h LYS 64 N 3.85 0.40 -3.44 4.82 6.56 -1.81 -3.44 116.57 123.52 2eki h LYS 64 Ca -0.35 -0.62 -0.50 0.00 -1.06 0.00 0.00 60.65 58.11 2eki h LYS 64 Cb 1.18 0.22 -0.40 0.00 -0.57 0.00 0.00 32.23 32.67 2eki h LYS 64 CO 0.51 1.28 -0.76 -1.01 -2.06 0.00 0.00 179.45 177.41 2eki s HIS 65 N -2.76 0.83 0.21 -1.35 3.76 -1.26 -5.09 115.29 109.63 2eki s HIS 65 Ca -0.06 -0.72 0.08 0.00 -0.15 0.00 0.00 55.06 54.21 2eki s HIS 65 Cb 0.06 -0.95 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 2eki s HIS 65 CO 0.90 -0.58 0.01 0.54 -0.85 0.00 0.00 174.74 174.76 2eki s ASN 66 N 1.92 4.74 0.36 1.40 2.20 -1.26 -3.70 114.94 120.60 2eki s ASN 66 Ca -0.00 -0.47 -0.27 0.00 -0.94 0.00 0.00 52.86 51.17 2eki s ASN 66 Cb -0.17 -0.98 -0.09 0.00 -2.00 0.00 0.00 41.25 38.01 2eki s ASN 66 CO -0.08 0.05 1.21 -2.16 -2.94 0.00 0.00 177.10 173.17 2eki s PRO 67 N -3.26 4.24 -0.08 3.55 0.04 -1.26 -5.07 135.00 133.16 2eki s PRO 67 Ca 0.29 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.35 2eki s PRO 67 Cb -0.08 -2.89 -0.00 0.00 0.04 0.00 0.00 34.50 31.56 2eki s PRO 67 CO 0.19 -0.20 -0.23 -1.14 0.04 0.00 0.00 177.00 175.67 2eki s GLN 68 N -1.99 2.62 -0.24 4.56 0.74 -1.24 -4.98 119.66 119.14 2eki s GLN 68 Ca 0.52 -0.82 -0.29 0.00 0.05 0.00 0.00 55.36 54.82 2eki s GLN 68 Cb -0.34 -2.10 -0.01 0.00 1.10 0.00 0.00 33.01 31.66 2eki s GLN 68 CO 0.44 0.25 1.40 0.21 -0.55 0.00 0.00 175.29 177.04 2eki s LYS 69 N 0.14 3.96 0.34 1.67 2.20 -1.26 -3.36 119.74 123.44 2eki s LYS 69 Ca -0.11 1.49 0.09 0.00 -0.36 0.00 0.00 55.97 57.08 2eki s LYS 69 Cb -0.16 -3.91 -0.06 0.00 -1.51 0.00 0.00 37.83 32.20 2eki s LYS 69 CO 0.06 -1.08 -0.06 0.14 -0.36 0.00 0.00 175.35 174.06 2eki s VAL 70 N 4.42 2.37 0.00 4.02 -7.23 0.29 -4.93 120.40 119.34 2eki s VAL 70 Ca 0.61 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2eki s VAL 70 Cb -0.21 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.03 2eki s VAL 70 CO 0.23 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2eki n GLY 71 N -0.85 3.17 0.27 2.32 0.00 -1.26 -1.94 105.19 106.89 2eki n GLY 71 Ca -0.05 -2.06 0.14 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.14 1.20 -0.04 1.61 -0.00 -1.26 -3.37 118.16 116.15 2eki n LYS 72 Ca 0.00 -0.54 0.09 0.00 -0.00 0.00 0.00 58.31 57.86 2eki n LYS 72 Cb 0.00 -1.49 0.10 0.00 -0.00 0.00 0.00 35.03 33.64 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 -0.43 2.69 -4.72 -5.58 -0.08 -1.26 -3.54 116.55 103.62 2eki n ASP 73 Ca 0.18 -1.80 -0.41 0.00 -1.51 0.00 0.00 54.79 51.24 2eki n ASP 73 Cb 0.29 -0.06 -0.04 0.00 2.34 0.00 0.00 41.12 43.65 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 -1.46 3.72 0.09 -0.67 2.46 -1.22 -4.94 115.29 113.27 2eki s HIS 74 Ca 0.24 1.72 -0.30 0.00 0.47 0.00 0.00 55.06 57.19 2eki s HIS 74 Cb 0.16 -3.12 -0.05 0.00 -0.13 0.00 0.00 32.58 29.43 2eki s HIS 74 CO 0.24 -0.05 0.97 0.99 -2.47 0.00 0.00 174.74 174.41 2eki s THR 75 N 0.32 4.55 0.65 0.89 2.01 -1.26 -2.30 115.64 120.50 2eki s THR 75 Ca 0.49 2.07 -0.08 0.00 0.31 0.00 0.00 61.69 64.48 2eki s THR 75 Cb -0.24 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 67.97 2eki s THR 75 CO 0.30 0.29 0.98 -0.76 -0.69 0.00 0.00 174.62 174.74 2eki s LEU 76 N 0.16 3.05 0.33 4.42 1.43 -1.24 -4.93 118.68 121.90 2eki s LEU 76 Ca 0.48 0.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.40 2eki s LEU 76 Cb -0.23 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 2eki s LEU 76 CO 0.30 -1.25 0.10 -1.61 0.23 0.00 0.00 176.35 174.11 2eki s GLU 77 N -5.15 1.65 0.34 1.70 0.41 -1.26 -4.84 118.70 111.54 2eki s GLU 77 Ca 0.56 -1.94 -0.26 0.00 -0.41 0.00 0.00 54.97 52.93 2eki s GLU 77 Cb -0.11 -0.56 -0.10 0.00 -1.78 0.00 0.00 34.13 31.58 2eki s GLU 77 CO 0.47 -0.32 0.95 0.16 -0.49 0.00 0.00 175.26 176.04 2eki s ASP 78 N -3.46 7.27 -1.38 -0.19 -4.77 -1.26 -3.81 116.67 109.06 2eki s ASP 78 Ca 0.34 1.84 -0.06 0.00 -3.30 0.00 0.00 52.55 51.37 2eki s ASP 78 Cb 0.07 -2.58 0.03 0.00 -1.09 0.00 0.00 42.92 39.35 2eki s ASP 78 CO 0.15 -0.12 0.88 -0.62 0.70 0.00 0.00 175.17 176.16 2eki n GLU 79 N 0.42 -5.64 -5.02 2.11 1.02 -0.96 -4.89 120.64 107.67 2eki n GLU 79 Ca 0.03 0.66 -0.28 0.00 -0.02 0.00 0.00 57.16 57.54 2eki n GLU 79 Cb 0.50 -5.43 -0.15 0.00 -0.02 0.00 0.00 31.44 26.34 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 -3.88 2.66 -0.18 1.62 1.11 -1.24 -4.95 116.67 111.82 2eki s ASP 80 Ca 0.30 -0.44 -0.10 0.00 0.18 0.00 0.00 52.55 52.49 2eki s ASP 80 Cb -0.15 -0.28 -0.05 0.00 1.07 0.00 0.00 42.92 43.52 2eki s ASP 80 CO 0.80 0.26 0.17 -0.69 1.18 0.00 0.00 175.17 176.89 2eki s VAL 81 N -0.59 5.40 -0.05 -1.27 1.01 -1.25 -1.76 120.40 121.88 2eki s VAL 81 Ca 0.09 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2eki s VAL 81 Cb -0.09 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.80 2eki s VAL 81 CO -0.00 0.46 -0.13 -0.51 0.00 0.00 0.00 175.10 174.92 2eki s ILE 82 N 0.13 1.13 -0.42 2.22 2.07 -0.96 -1.95 121.20 123.42 2eki s ILE 82 Ca 0.11 -0.52 -0.09 0.00 -1.41 0.00 0.00 60.65 58.74 2eki s ILE 82 Cb -0.12 -1.01 0.09 0.00 0.13 0.00 0.00 42.46 41.55 2eki s ILE 82 CO 0.00 0.34 0.27 -1.58 -1.91 0.00 0.00 174.94 172.06 2eki s GLN 83 N 0.34 2.55 -0.49 3.50 0.74 -1.24 -1.38 119.66 123.69 2eki s GLN 83 Ca -0.08 -1.52 -0.28 0.00 0.05 0.00 0.00 55.36 53.52 2eki s GLN 83 Cb -0.13 -3.79 0.02 0.00 1.10 0.00 0.00 33.01 30.21 2eki s GLN 83 CO 0.02 -0.99 1.35 0.42 -0.55 0.00 0.00 175.29 175.54 2eki s ILE 84 N 1.40 3.92 0.07 -2.34 -1.09 -1.26 -3.73 121.20 118.18 2eki s ILE 84 Ca 0.04 0.88 -0.06 0.00 -2.23 0.00 0.00 60.65 59.28 2eki s ILE 84 Cb -0.23 -4.39 -0.05 0.00 -1.58 0.00 0.00 42.46 36.20 2eki s ILE 84 CO 0.01 -0.99 0.33 0.68 -1.23 0.00 0.00 174.94 173.74 2eki s VAL 85 N 5.46 5.22 -0.22 2.92 -7.23 -1.17 -4.96 120.40 120.43 2eki s VAL 85 Ca 0.55 0.13 -0.08 0.00 -1.81 0.00 0.00 61.98 60.77 2eki s VAL 85 Cb -0.11 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 2eki s VAL 85 CO 0.29 0.22 0.08 -0.54 -0.31 0.00 0.00 175.10 174.84 2eki s LYS 86 N -2.17 3.85 0.24 4.82 -0.14 -1.26 -1.68 119.74 123.41 2eki s LYS 86 Ca 0.34 -0.39 -0.31 0.00 -1.36 0.00 0.00 55.97 54.25 2eki s LYS 86 Cb -0.13 -3.30 -0.11 0.00 -1.68 0.00 0.00 37.83 32.61 2eki s LYS 86 CO 0.20 0.05 1.59 -1.59 -0.76 0.00 0.00 175.35 174.85 2eki s LYS 87 N 0.98 4.16 -0.06 1.68 -2.85 -0.17 -4.89 119.74 118.60 2eki s LYS 87 Ca 0.04 2.50 -0.20 0.00 -1.00 0.00 0.00 55.97 57.31 2eki s LYS 87 Cb -0.14 -3.07 -0.05 0.00 -2.06 0.00 0.00 37.83 32.51 2eki s LYS 87 CO 0.03 -0.62 0.58 -1.12 0.10 0.00 0.00 175.35 174.32 2eki s SER 88 N 0.74 6.87 -0.30 0.03 0.01 -1.26 -5.04 113.70 114.76 2eki s SER 88 Ca 0.66 1.04 -0.27 0.00 1.31 0.00 0.00 55.95 58.70 2eki s SER 88 Cb -0.47 -2.35 0.20 0.00 0.21 0.00 0.00 66.02 63.62 2eki s SER 88 CO 0.41 0.02 1.45 -0.83 0.41 0.00 0.00 173.24 174.70 2eki s GLY 89 N 0.30 0.29 0.23 3.44 0.00 -1.26 -5.15 107.32 105.17 2eki s GLY 89 Ca 0.31 3.32 -0.30 0.00 0.00 0.00 0.00 44.72 48.05 2eki s GLY 89 CO 0.15 1.58 1.28 2.56 0.00 0.00 0.00 173.10 178.67 2eki s PRO 90 N -0.45 4.41 -0.19 2.90 0.04 -1.26 -5.03 135.00 135.43 2eki s PRO 90 Ca 0.09 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 2eki s PRO 90 Cb -0.03 -3.18 0.09 0.00 0.04 0.00 0.00 34.50 31.42 2eki s PRO 90 CO -0.13 -0.19 0.38 -1.54 0.04 0.00 0.00 177.00 175.56 2eki s SER 91 N 0.07 -0.05 0.53 6.66 1.04 -1.26 -5.15 113.70 115.54 2eki s SER 91 Ca 0.54 0.81 -0.20 0.00 0.48 0.00 0.00 55.95 57.58 2eki s SER 91 Cb -0.36 1.18 -0.06 0.00 0.10 0.00 0.00 66.02 66.88 2eki s SER 91 CO 0.41 -0.24 1.18 -0.44 0.98 0.00 0.00 173.24 175.13 2eki s SER 92 N 2.56 5.65 0.00 7.02 0.01 -1.26 -5.34 113.70 122.35 2eki s SER 92 Ca 0.01 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.59 2eki s SER 92 Cb -0.12 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2eki s SER 92 CO -0.12 -1.27 0.08 0.61 0.41 0.00 0.00 173.24 172.95