#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 6.57 -1.33 1.61 0.15 -1.26 -4.16 113.70 115.27 2eki s SER 2 Ca 0.00 -1.77 -0.08 0.00 0.70 0.00 0.00 55.95 54.81 2eki s SER 2 Cb 0.00 -2.47 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 2eki s SER 2 CO 0.00 -1.27 1.16 -0.24 1.20 0.00 0.00 173.24 174.09 2eki n SER 3 N 7.59 -5.82 -4.09 5.45 2.88 -1.26 -5.00 113.62 113.37 2eki n SER 3 Ca 0.27 -0.55 -0.30 0.00 -1.33 0.00 0.00 58.87 56.97 2eki n SER 3 Cb 0.50 -5.01 -0.17 0.00 -0.75 0.00 0.00 64.21 58.78 2eki n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eki s GLY 4 N -3.45 1.15 0.01 0.46 0.00 -1.26 -5.00 107.32 99.24 2eki s GLY 4 Ca 0.51 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 44.33 2eki s GLY 4 CO 0.72 0.15 -0.07 -1.14 0.00 0.00 0.00 173.10 172.76 2eki n SER 5 N 4.17 1.04 -4.74 1.64 3.41 -1.26 -4.85 113.62 113.03 2eki n SER 5 Ca -0.19 0.15 -0.40 0.00 -0.26 0.00 0.00 58.87 58.16 2eki n SER 5 Cb 0.51 -0.35 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2eki n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2eki n SER 6 N -3.57 3.03 -4.97 4.04 2.88 -1.26 -5.01 113.62 108.76 2eki n SER 6 Ca -0.05 1.10 -0.20 0.00 -1.33 0.00 0.00 58.87 58.39 2eki n SER 6 Cb 0.24 -1.57 -0.01 0.00 -0.75 0.00 0.00 64.21 62.12 2eki n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eki s GLY 7 N -0.53 1.43 -0.01 0.46 0.00 -1.26 -5.13 107.32 102.29 2eki s GLY 7 Ca 0.62 -1.37 -0.09 0.00 0.00 0.00 0.00 44.72 43.88 2eki s GLY 7 CO 0.57 -1.33 0.18 -0.47 0.00 0.00 0.00 173.10 172.05 2eki s TYR 8 N -2.09 -0.03 -0.92 1.90 5.04 -1.26 -4.91 117.35 115.07 2eki s TYR 8 Ca 0.40 0.02 -0.02 0.00 -2.44 0.00 0.00 57.07 55.02 2eki s TYR 8 Cb -0.09 -0.00 0.00 0.00 0.35 0.00 0.00 41.96 42.22 2eki s TYR 8 CO 0.30 -0.30 0.78 -0.11 -1.34 0.00 0.00 175.55 174.89 2eki n LEU 9 N 1.54 -3.33 -4.39 6.97 7.94 -1.26 -4.94 117.00 119.53 2eki n LEU 9 Ca -0.22 -0.43 -0.37 0.00 -1.11 0.00 0.00 56.01 53.88 2eki n LEU 9 Cb 0.56 -2.41 0.05 0.00 0.53 0.00 0.00 43.42 42.15 2eki n LEU 9 CO 0.21 0.35 -0.17 1.17 -1.11 0.00 0.00 177.39 177.84 2eki n LYS 10 N -3.48 0.29 -3.64 1.96 3.00 -1.26 -4.68 118.16 110.34 2eki n LYS 10 Ca -0.13 0.12 -0.38 0.00 -0.00 0.00 0.00 58.31 57.92 2eki n LYS 10 Cb 0.60 -1.57 -0.12 0.00 0.00 0.00 0.00 35.03 33.94 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 1.68 3.84 -0.17 3.14 2.01 -1.26 -1.78 118.68 126.13 2eki s LEU 11 Ca 0.63 -0.08 -0.00 0.00 0.01 0.00 0.00 54.13 54.68 2eki s LEU 11 Cb -0.40 -2.05 0.00 0.00 0.01 0.00 0.00 46.19 43.75 2eki s LEU 11 CO 0.60 -0.05 -0.14 -0.69 1.01 0.00 0.00 176.35 177.08 2eki s VAL 12 N 1.71 2.66 -0.19 -1.59 1.01 -0.98 -4.87 120.40 118.15 2eki s VAL 12 Ca 0.07 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 2eki s VAL 12 Cb -0.16 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2eki s VAL 12 CO 0.09 0.50 0.07 -0.13 0.00 0.00 0.00 175.10 175.63 2eki s ARG 13 N 1.07 3.98 -0.25 2.72 3.00 -1.26 -0.56 118.95 127.64 2eki s ARG 13 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 55.73 55.38 2eki s ARG 13 Cb -0.14 -3.24 0.03 0.00 0.00 0.00 0.00 34.95 31.59 2eki s ARG 13 CO -0.04 0.24 -0.07 0.42 0.00 0.00 0.00 175.30 175.86 2eki s ILE 14 N 0.45 2.79 -0.74 1.52 -1.09 -0.98 -1.40 121.20 121.75 2eki s ILE 14 Ca 0.04 -1.10 -0.26 0.00 -2.23 0.00 0.00 60.65 57.09 2eki s ILE 14 Cb -0.12 -2.44 0.04 0.00 -1.58 0.00 0.00 42.46 38.35 2eki s ILE 14 CO 0.00 0.17 1.24 -0.31 -1.23 0.00 0.00 174.94 174.81 2eki s TYR 15 N 1.30 2.37 0.27 3.97 2.02 0.45 -2.92 117.35 124.81 2eki s TYR 15 Ca -0.01 -0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.21 2eki s TYR 15 Cb -0.17 -4.57 -0.10 0.00 -0.40 0.00 0.00 41.96 36.72 2eki s TYR 15 CO -0.05 -1.99 1.25 -0.08 -1.57 0.00 0.00 175.55 173.11 2eki s THR 16 N 5.39 3.08 -0.36 -0.71 -1.32 -1.26 -2.18 115.64 118.27 2eki s THR 16 Ca 0.33 1.01 -0.01 0.00 -1.21 0.00 0.00 61.69 61.82 2eki s THR 16 Cb -0.09 -3.65 0.09 0.00 -1.51 0.00 0.00 72.50 67.34 2eki s THR 16 CO 0.13 0.21 0.11 -0.75 -2.21 0.00 0.00 174.62 172.11 2eki s LYS 17 N -1.14 2.03 0.39 7.08 2.20 -0.47 -2.84 119.74 126.99 2eki s LYS 17 Ca 0.50 -1.67 -0.26 0.00 -0.36 0.00 0.00 55.97 54.19 2eki s LYS 17 Cb -0.37 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.48 2eki s LYS 17 CO 0.45 -0.91 1.20 -1.25 -0.36 0.00 0.00 175.35 174.47 2eki s PRO 18 N 1.13 4.11 -0.34 4.03 0.04 -1.26 -4.08 135.00 138.63 2eki s PRO 18 Ca 0.05 1.92 -0.32 0.00 0.04 0.00 0.00 61.00 62.68 2eki s PRO 18 Cb -0.21 -2.76 -0.10 0.00 0.04 0.00 0.00 34.50 31.47 2eki s PRO 18 CO -0.04 -0.29 2.24 0.36 0.04 0.00 0.00 177.00 179.30 2eki n LYS 19 N 0.23 1.29 0.00 4.56 2.85 -1.26 -2.73 118.16 123.10 2eki n LYS 19 Ca 0.03 0.33 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 2eki n LYS 19 Cb 0.45 -2.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.10 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 6.29 2.16 3.59 2.58 0.00 -1.26 -5.02 105.19 113.52 2eki n GLY 20 Ca 0.39 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.13 0.45 1.61 -1.52 -1.10 -5.02 119.66 113.95 2eki s GLN 21 Ca 0.00 0.75 -0.12 0.00 -1.95 0.00 0.00 55.36 54.05 2eki s GLN 21 Cb 0.00 -1.65 -0.06 0.00 -0.22 0.00 0.00 33.01 31.07 2eki s GLN 21 CO 0.00 -3.17 0.84 -0.48 -0.25 0.00 0.00 175.29 172.23 2eki s LEU 22 N -6.82 3.73 -0.19 2.90 0.05 -1.26 -4.21 118.68 112.88 2eki s LEU 22 Ca 0.67 1.25 -0.29 0.00 0.05 0.00 0.00 54.13 55.80 2eki s LEU 22 Cb -0.22 -4.16 -0.03 0.00 -2.05 0.00 0.00 46.19 39.74 2eki s LEU 22 CO 0.61 -0.48 1.59 -2.16 -0.55 0.00 0.00 176.35 175.35 2eki s PRO 23 N -4.03 3.90 -0.30 1.48 0.04 -1.26 -4.50 135.00 130.33 2eki s PRO 23 Ca 0.53 1.75 -0.35 0.00 0.04 0.00 0.00 61.00 62.97 2eki s PRO 23 Cb -0.10 -4.00 -0.11 0.00 0.04 0.00 0.00 34.50 30.33 2eki s PRO 23 CO 0.33 -1.16 2.13 -0.25 0.04 0.00 0.00 177.00 178.09 2eki n ASP 24 N 8.05 2.43 -0.81 6.66 8.00 -1.13 -4.80 116.55 134.96 2eki n ASP 24 Ca 0.18 0.49 0.12 0.00 0.71 0.00 0.00 54.79 56.29 2eki n ASP 24 Cb 0.45 -1.30 0.10 0.00 -0.02 0.00 0.00 41.12 40.34 2eki n ASP 24 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2eki n TYR 25 N 9.41 0.00 -0.02 1.24 4.01 -1.26 -4.12 117.16 126.42 2eki n TYR 25 Ca 0.37 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 58.10 2eki n TYR 25 Cb 0.26 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.92 0.31 -2.57 -0.72 5.66 -1.26 -4.71 114.28 111.90 2eki n THR 26 Ca 0.13 -0.25 -0.29 0.00 -3.05 0.00 0.00 64.05 60.59 2eki n THR 26 Cb 0.55 -0.42 -0.01 0.00 -1.55 0.00 0.00 70.33 68.90 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 -2.08 5.00 -4.70 1.09 2.88 -1.26 -5.07 113.62 109.48 2eki n SER 27 Ca -0.08 -3.72 -0.29 0.00 -1.33 0.00 0.00 58.87 53.45 2eki n SER 27 Cb 0.54 -0.57 0.16 0.00 -0.75 0.00 0.00 64.21 63.59 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 0.80 -0.38 -1.46 0.04 -1.26 -4.93 135.00 124.21 2eki s PRO 28 Ca 0.48 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 2eki s PRO 28 Cb 0.36 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 33.15 2eki s PRO 28 CO -0.19 -2.51 0.24 0.54 0.04 0.00 0.00 177.00 175.11 2eki s VAL 29 N -2.95 4.87 -0.64 -0.36 0.11 -1.15 -4.93 120.40 115.35 2eki s VAL 29 Ca 0.64 -0.72 -0.28 0.00 -2.93 0.00 0.00 61.98 58.70 2eki s VAL 29 Cb -0.18 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.00 2eki s VAL 29 CO 0.57 -0.23 1.27 -0.69 -3.33 0.00 0.00 175.10 172.69 2eki s VAL 30 N 1.61 3.86 -0.04 2.04 1.01 -1.26 -2.32 120.40 125.31 2eki s VAL 30 Ca 0.04 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.67 2eki s VAL 30 Cb -0.19 -4.74 -0.04 0.00 0.00 0.00 0.00 36.38 31.41 2eki s VAL 30 CO 0.08 -1.49 0.11 -0.76 0.00 0.00 0.00 175.10 173.04 2eki s LEU 31 N 5.47 4.10 -0.09 3.92 1.43 0.27 -4.95 118.68 128.83 2eki s LEU 31 Ca 0.42 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 2eki s LEU 31 Cb -0.08 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 2eki s LEU 31 CO 0.22 0.31 1.52 -2.16 0.23 0.00 0.00 176.35 176.47 2eki s PRO 32 N -1.56 4.19 0.16 1.29 0.04 -1.26 -2.31 135.00 135.56 2eki s PRO 32 Ca 0.21 2.00 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 2eki s PRO 32 Cb -0.12 -3.91 -0.06 0.00 0.04 0.00 0.00 34.50 30.44 2eki s PRO 32 CO 0.12 -0.81 1.54 -0.92 0.04 0.00 0.00 177.00 176.97 2eki h TYR 33 N 9.12 -1.85 -1.14 0.56 5.03 -1.62 0.72 116.97 127.79 2eki h TYR 33 Ca -0.35 0.13 0.43 0.00 2.58 0.00 0.00 58.73 61.52 2eki h TYR 33 Cb 1.15 0.94 -0.16 0.00 1.55 0.00 0.00 36.73 40.21 2eki h TYR 33 CO 0.86 -0.38 0.68 -1.13 -1.32 0.00 0.00 178.16 176.87 2eki n SER 34 N -5.27 0.28 -3.83 -2.11 3.41 -1.26 -2.54 113.62 102.30 2eki n SER 34 Ca 0.02 1.50 -0.29 0.00 -0.26 0.00 0.00 58.87 59.84 2eki n SER 34 Cb 0.27 -0.73 -0.13 0.00 -0.26 0.00 0.00 64.21 63.36 2eki n SER 34 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2eki s ARG 35 N -5.36 1.83 -0.19 4.33 1.81 0.25 -5.06 118.95 116.56 2eki s ARG 35 Ca -0.08 -2.59 -0.01 0.00 -1.72 0.00 0.00 55.73 51.33 2eki s ARG 35 Cb 0.32 -2.93 0.05 0.00 -0.45 0.00 0.00 34.95 31.94 2eki s ARG 35 CO 0.78 -1.19 -0.02 0.95 -0.68 0.00 0.00 175.30 175.14 2eki s THR 36 N -0.37 0.95 0.10 0.02 -4.23 -1.05 -4.08 115.64 106.98 2eki s THR 36 Ca 0.20 -0.70 -0.26 0.00 -1.18 0.00 0.00 61.69 59.76 2eki s THR 36 Cb -0.18 -1.27 0.08 0.00 1.34 0.00 0.00 72.50 72.47 2eki s THR 36 CO -0.05 -0.04 0.78 0.42 -0.54 0.00 0.00 174.62 175.19 2eki s THR 37 N 1.68 0.00 0.32 3.99 -4.23 -1.26 -3.50 115.64 112.64 2eki s THR 37 Ca -0.01 -0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.36 2eki s THR 37 Cb -0.17 -1.21 0.29 0.00 1.34 0.00 0.00 72.50 72.75 2eki s THR 37 CO -0.07 0.00 1.91 0.58 -0.54 0.00 0.00 174.62 176.49 2eki h VAL 38 N 2.00 1.01 0.00 2.29 2.07 -1.59 0.44 116.25 122.47 2eki h VAL 38 Ca -0.26 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 2eki h VAL 38 Cb 1.26 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2eki h VAL 38 CO 0.32 0.17 -0.25 1.05 0.02 0.00 0.00 177.57 178.88 2eki h GLU 39 N 0.92 0.00 0.03 1.57 4.11 -1.83 -2.82 114.58 116.55 2eki h GLU 39 Ca 0.40 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.61 2eki h GLU 39 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2eki h GLU 39 CO -0.16 0.25 -0.97 -0.44 0.07 0.00 0.00 179.01 177.77 2eki h ASP 40 N 0.00 0.31 -0.13 3.06 5.19 -1.27 -3.22 116.42 120.36 2eki h ASP 40 Ca -0.00 -0.28 -0.17 0.00 -0.62 0.00 0.00 57.03 55.96 2eki h ASP 40 Cb 0.90 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 40.32 2eki h ASP 40 CO 0.03 1.11 -0.59 0.15 -3.12 0.00 0.00 179.24 176.82 2eki h PHE 41 N 0.11 0.85 -1.00 4.55 3.04 -1.20 -3.21 116.94 120.09 2eki h PHE 41 Ca -0.06 -0.37 0.12 0.00 3.98 0.00 0.00 57.97 61.64 2eki h PHE 41 Cb 1.63 -0.13 -0.08 0.00 2.56 0.00 0.00 35.95 39.92 2eki h PHE 41 CO 0.04 1.17 0.63 0.00 -2.02 0.00 0.00 178.31 178.13 2eki h MET 43 N 0.98 0.62 -1.07 0.00 2.86 -1.56 0.43 114.93 117.20 2eki h MET 43 Ca 0.50 -0.04 0.30 0.00 -2.06 0.00 0.00 59.70 58.39 2eki h MET 43 Cb 0.50 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 2eki h MET 43 CO -0.26 0.43 0.75 0.87 1.06 0.00 0.00 176.91 179.75 2eki h LYS 44 N 0.63 0.10 0.00 1.72 1.79 -1.28 -3.23 116.57 116.30 2eki h LYS 44 Ca 0.17 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2eki h LYS 44 Cb -0.05 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2eki h LYS 44 CO -0.04 0.06 -0.04 -0.89 -1.08 0.00 0.00 179.45 177.47 2eki n ILE 45 N -4.31 0.06 -3.46 1.86 2.08 -0.74 -5.02 119.36 109.83 2eki n ILE 45 Ca 0.23 0.49 -0.15 0.00 0.56 0.00 0.00 62.75 63.88 2eki n ILE 45 Cb 1.07 -1.54 -0.11 0.00 -0.75 0.00 0.00 39.64 38.31 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 -1.08 -0.47 0.22 1.39 2.46 0.14 -5.04 115.29 112.93 2eki s HIS 46 Ca -0.01 0.48 -0.15 0.00 0.47 0.00 0.00 55.06 55.85 2eki s HIS 46 Cb 0.00 -0.21 0.26 0.00 -0.13 0.00 0.00 32.58 32.50 2eki s HIS 46 CO 0.02 -0.62 1.59 -0.22 -2.47 0.00 0.00 174.74 173.04 2eki h LYS 47 N 8.27 -0.05 -0.86 2.88 3.64 -1.70 0.90 116.57 129.65 2eki h LYS 47 Ca -0.18 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.45 2eki h LYS 47 Cb 1.15 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 2eki h LYS 47 CO 0.27 -0.03 0.61 -0.97 -2.27 0.00 0.00 179.45 177.05 2eki h ASN 48 N -0.05 0.08 -0.95 4.20 -0.73 -1.96 -2.33 115.58 113.85 2eki h ASN 48 Ca 0.33 0.01 0.14 0.00 1.87 0.00 0.00 56.30 58.65 2eki h ASN 48 Cb 0.57 -0.01 -0.15 0.00 0.27 0.00 0.00 38.32 39.01 2eki h ASN 48 CO -0.79 0.03 -0.40 -0.11 -0.37 0.00 0.00 177.43 175.79 2eki n LEU 49 N -4.33 -0.67 -0.33 0.34 7.94 0.31 0.87 117.00 121.13 2eki n LEU 49 Ca 0.18 1.66 0.23 0.00 -1.11 0.00 0.00 56.01 56.96 2eki n LEU 49 Cb 0.88 -0.35 0.44 0.00 0.53 0.00 0.00 43.42 44.91 2eki n LEU 49 CO 0.37 -1.47 0.94 -0.29 -1.11 0.00 0.00 177.39 175.84 2eki h ILE 50 N 0.00 0.04 -0.65 1.96 6.09 -1.55 1.69 117.51 125.09 2eki h ILE 50 Ca 0.30 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.77 2eki h ILE 50 Cb 0.54 0.00 -0.03 0.00 0.47 0.00 0.00 36.82 37.80 2eki h ILE 50 CO -0.93 0.01 0.35 0.11 -3.07 0.00 0.00 178.15 174.61 2eki h LYS 51 N 0.03 0.91 -0.00 2.19 1.57 0.28 -2.18 116.57 119.36 2eki h LYS 51 Ca 0.72 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 2eki h LYS 51 Cb 1.72 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2eki h LYS 51 CO -0.83 0.70 -0.32 0.39 -0.57 0.00 0.00 179.45 178.82 2eki n GLU 52 N -4.52 0.24 -2.03 3.15 -0.58 0.35 -4.83 120.64 112.42 2eki n GLU 52 Ca 0.05 -0.12 -0.43 0.00 -0.42 0.00 0.00 57.16 56.24 2eki n GLU 52 Cb 0.10 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.44 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 -2.84 1.89 -0.14 -0.32 5.36 0.49 -1.86 117.98 120.57 2eki s PHE 53 Ca 0.16 0.56 -0.12 0.00 -0.96 0.00 0.00 56.93 56.57 2eki s PHE 53 Cb 0.18 -4.09 -0.10 0.00 -0.34 0.00 0.00 43.02 38.68 2eki s PHE 53 CO 0.61 -3.03 0.15 -0.22 -1.46 0.00 0.00 175.22 171.26 2eki h LYS 54 N 12.09 0.00 -2.95 10.12 3.64 -1.65 -3.47 116.57 134.34 2eki h LYS 54 Ca -0.34 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.08 2eki h LYS 54 Cb 1.17 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2eki h LYS 54 CO 1.02 0.38 0.27 1.52 -2.27 0.00 0.00 179.45 180.37 2eki s TYR 55 N -2.02 -0.07 -0.03 1.91 -0.85 -1.26 -4.96 117.35 110.07 2eki s TYR 55 Ca -0.13 -0.46 0.01 0.00 -0.52 0.00 0.00 57.07 55.97 2eki s TYR 55 Cb 0.01 0.75 0.02 0.00 0.38 0.00 0.00 41.96 43.12 2eki s TYR 55 CO 0.30 -1.33 -0.05 0.00 -1.52 0.00 0.00 175.55 172.96 2eki s ALA 56 N -3.26 0.61 -0.64 9.51 0.00 -0.95 -3.13 121.76 123.90 2eki s ALA 56 Ca 0.13 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 2eki s ALA 56 Cb -0.05 -0.34 0.16 0.00 0.00 0.00 0.00 23.12 22.89 2eki s ALA 56 CO 0.08 0.03 0.54 -0.51 0.00 0.00 0.00 175.76 175.90 2eki s LEU 57 N 0.66 6.08 0.36 0.00 1.43 -1.24 -1.02 118.68 124.93 2eki s LEU 57 Ca -0.08 -2.35 -0.26 0.00 -1.03 0.00 0.00 54.13 50.41 2eki s LEU 57 Cb -0.12 -2.09 -0.09 0.00 0.03 0.00 0.00 46.19 43.92 2eki s LEU 57 CO 0.00 -0.62 1.05 -0.69 0.23 0.00 0.00 176.35 176.32 2eki s VAL 58 N 0.70 3.73 -0.42 -1.59 1.01 -1.23 -3.43 120.40 119.18 2eki s VAL 58 Ca 0.12 1.44 0.02 0.00 0.00 0.00 0.00 61.98 63.55 2eki s VAL 58 Cb -0.20 -3.80 0.13 0.00 0.00 0.00 0.00 36.38 32.51 2eki s VAL 58 CO -0.03 0.12 0.22 0.26 0.00 0.00 0.00 175.10 175.66 2eki s TRP 59 N -1.53 1.79 -1.19 5.22 0.51 -0.49 -3.80 118.94 119.44 2eki s TRP 59 Ca 0.53 -2.26 0.00 0.00 -2.12 0.00 0.00 56.10 52.26 2eki s TRP 59 Cb -0.24 -1.74 0.00 0.00 -0.81 0.00 0.00 33.47 30.68 2eki s TRP 59 CO 0.30 -0.80 0.00 0.41 -0.51 0.00 0.00 176.95 176.35 2eki n GLY 60 N 3.73 -0.82 0.23 0.98 0.00 -1.26 -3.98 105.19 104.07 2eki n GLY 60 Ca 0.08 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.47 0.99 3.38 -1.95 -2.85 115.31 113.41 2eki h LEU 61 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2eki h LEU 61 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2eki h LEU 61 CO 0.00 0.21 0.71 -1.28 0.09 0.00 0.00 178.44 178.17 2eki h SER 62 N 0.00 0.00 -4.43 -0.43 0.87 -1.96 -3.40 113.55 104.21 2eki h SER 62 Ca -0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2eki h SER 62 Cb 0.53 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.32 2eki h SER 62 CO 0.03 0.00 -0.72 0.68 -0.53 0.00 0.00 176.83 176.28 2eki s VAL 63 N -4.37 0.87 -0.12 2.23 -7.23 -1.08 -5.08 120.40 105.62 2eki s VAL 63 Ca -0.03 -1.68 -0.17 0.00 -1.81 0.00 0.00 61.98 58.30 2eki s VAL 63 Cb 0.12 -1.39 -0.15 0.00 0.56 0.00 0.00 36.38 35.52 2eki s VAL 63 CO 0.40 -0.62 0.43 0.11 -0.31 0.00 0.00 175.10 175.11 2eki h LYS 64 N 3.47 0.00 -4.96 4.82 1.79 -1.83 -3.45 116.57 116.42 2eki h LYS 64 Ca -0.37 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.44 2eki h LYS 64 Cb 1.19 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.54 2eki h LYS 64 CO 0.55 0.57 -0.74 -1.01 -1.08 0.00 0.00 179.45 177.74 2eki s HIS 65 N -1.94 2.98 0.18 -1.35 3.76 -1.26 -5.08 115.29 112.58 2eki s HIS 65 Ca -0.11 -1.23 0.11 0.00 -0.15 0.00 0.00 55.06 53.68 2eki s HIS 65 Cb -0.02 -2.08 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 2eki s HIS 65 CO 0.40 -0.64 -0.21 0.54 -0.85 0.00 0.00 174.74 173.97 2eki s ASN 66 N 1.41 3.60 0.65 1.40 2.20 -1.26 -3.85 114.94 119.09 2eki s ASN 66 Ca 0.04 -0.79 -0.15 0.00 -0.94 0.00 0.00 52.86 51.01 2eki s ASN 66 Cb -0.15 -0.35 -0.01 0.00 -2.00 0.00 0.00 41.25 38.74 2eki s ASN 66 CO -0.05 0.12 1.11 -2.16 -2.94 0.00 0.00 177.10 173.19 2eki s PRO 67 N -2.63 2.85 -0.06 3.55 0.04 -1.26 -5.12 135.00 132.36 2eki s PRO 67 Ca 0.21 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.68 2eki s PRO 67 Cb -0.08 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.51 2eki s PRO 67 CO 0.11 -1.21 -0.13 -1.14 0.04 0.00 0.00 177.00 174.66 2eki s GLN 68 N -4.03 1.68 -0.49 4.56 0.74 -1.25 -5.00 119.66 115.87 2eki s GLN 68 Ca 0.67 -0.44 -0.28 0.00 0.05 0.00 0.00 55.36 55.36 2eki s GLN 68 Cb -0.21 -1.40 0.01 0.00 1.10 0.00 0.00 33.01 32.51 2eki s GLN 68 CO 0.40 0.07 1.41 0.21 -0.55 0.00 0.00 175.29 176.84 2eki s LYS 69 N 0.53 3.43 0.33 1.67 2.20 -1.26 -3.46 119.74 123.17 2eki s LYS 69 Ca -0.12 0.69 0.08 0.00 -0.36 0.00 0.00 55.97 56.26 2eki s LYS 69 Cb -0.15 -4.08 -0.04 0.00 -1.51 0.00 0.00 37.83 32.06 2eki s LYS 69 CO 0.03 -1.76 0.20 0.14 -0.36 0.00 0.00 175.35 173.60 2eki s VAL 70 N 5.78 3.31 0.00 4.02 -7.23 -0.19 -4.93 120.40 121.16 2eki s VAL 70 Ca 0.57 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 2eki s VAL 70 Cb -0.12 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.75 2eki s VAL 70 CO 0.29 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 2eki n GLY 71 N -1.23 2.95 0.08 2.32 0.00 -1.26 -2.24 105.19 105.82 2eki n GLY 71 Ca -0.03 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.11 2eki n GLY 71 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2eki h LYS 72 N 0.00 0.00 0.00 1.61 5.09 -1.95 -3.28 116.57 118.04 2eki h LYS 72 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2eki h LYS 72 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 2eki h LYS 72 CO 0.00 0.00 -0.46 0.22 -2.09 0.00 0.00 179.45 177.12 2eki h ASP 73 N 0.00 0.00 -3.19 7.07 1.82 -1.97 -3.08 116.42 117.06 2eki h ASP 73 Ca 0.00 -0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 56.06 2eki h ASP 73 Cb 0.77 0.00 0.17 0.00 0.68 0.00 0.00 39.33 40.95 2eki h ASP 73 CO 0.00 0.00 -0.18 1.57 -1.61 0.00 0.00 179.24 179.02 2eki n HIS 74 N -2.91 -0.05 -4.03 0.28 -0.00 -1.24 -4.82 115.22 102.46 2eki n HIS 74 Ca 0.02 0.45 -0.35 0.00 0.46 0.00 0.00 57.72 58.29 2eki n HIS 74 Cb 0.54 -2.03 -0.08 0.00 -0.12 0.00 0.00 29.99 28.29 2eki n HIS 74 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2eki s THR 75 N -1.62 4.95 0.02 3.57 2.01 -1.26 -2.51 115.64 120.79 2eki s THR 75 Ca 0.71 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.63 2eki s THR 75 Cb -0.44 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2eki s THR 75 CO 0.51 0.54 0.33 -0.76 -0.69 0.00 0.00 174.62 174.56 2eki s LEU 76 N -0.33 4.38 0.00 4.42 1.43 -1.23 -4.94 118.68 122.41 2eki s LEU 76 Ca 0.09 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 2eki s LEU 76 Cb -0.12 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.39 2eki s LEU 76 CO 0.02 0.25 0.04 -1.84 0.23 0.00 0.00 176.35 175.05 2eki n GLU 77 N 1.25 1.29 -2.09 1.70 0.28 -1.26 -4.73 120.64 117.08 2eki n GLU 77 Ca -0.11 -1.95 -0.33 0.00 -0.16 0.00 0.00 57.16 54.61 2eki n GLU 77 Cb 0.53 0.46 0.01 0.00 1.43 0.00 0.00 31.44 33.87 2eki n GLU 77 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2eki s ASP 78 N -2.54 5.69 -1.43 -1.84 1.47 -1.26 -3.70 116.67 113.05 2eki s ASP 78 Ca 0.03 1.94 -0.06 0.00 1.18 0.00 0.00 52.55 55.65 2eki s ASP 78 Cb -0.00 -2.55 0.01 0.00 -0.34 0.00 0.00 42.92 40.03 2eki s ASP 78 CO 0.02 -1.23 0.28 -0.62 0.68 0.00 0.00 175.17 174.30 2eki n GLU 79 N -1.84 -1.70 -5.21 2.11 1.02 -0.49 -4.88 120.64 109.65 2eki n GLU 79 Ca 0.10 0.22 -0.32 0.00 -0.02 0.00 0.00 57.16 57.14 2eki n GLU 79 Cb 0.52 -3.81 -0.17 0.00 -0.02 0.00 0.00 31.44 27.96 2eki n GLU 79 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2eki s ASP 80 N -4.22 3.15 -0.20 1.62 2.15 -1.11 -4.92 116.67 113.13 2eki s ASP 80 Ca 0.09 -0.52 -0.10 0.00 0.43 0.00 0.00 52.55 52.45 2eki s ASP 80 Cb -0.05 -1.19 -0.05 0.00 -0.30 0.00 0.00 42.92 41.33 2eki s ASP 80 CO 0.95 0.20 0.13 -0.69 -0.17 0.00 0.00 175.17 175.58 2eki s VAL 81 N 0.13 5.33 -0.05 1.11 1.01 -1.26 -0.42 120.40 126.26 2eki s VAL 81 Ca -0.12 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2eki s VAL 81 Cb -0.16 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.80 2eki s VAL 81 CO 0.07 0.43 -0.07 -0.51 0.00 0.00 0.00 175.10 175.01 2eki s ILE 82 N 0.48 0.73 -0.50 2.22 2.07 -0.93 -1.40 121.20 123.87 2eki s ILE 82 Ca 0.07 -0.26 -0.14 0.00 -1.41 0.00 0.00 60.65 58.91 2eki s ILE 82 Cb -0.12 -0.71 0.11 0.00 0.13 0.00 0.00 42.46 41.88 2eki s ILE 82 CO -0.01 0.26 0.43 -1.58 -1.91 0.00 0.00 174.94 172.13 2eki s GLN 83 N 0.70 2.85 -0.42 3.50 0.74 -1.22 -1.36 119.66 124.44 2eki s GLN 83 Ca -0.11 -1.64 -0.28 0.00 0.05 0.00 0.00 55.36 53.38 2eki s GLN 83 Cb -0.14 -4.15 0.00 0.00 1.10 0.00 0.00 33.01 29.82 2eki s GLN 83 CO 0.01 -1.22 1.52 0.42 -0.55 0.00 0.00 175.29 175.48 2eki s ILE 84 N 1.55 3.76 -0.01 -2.34 -1.09 -1.26 -3.73 121.20 118.08 2eki s ILE 84 Ca 0.04 0.75 -0.02 0.00 -2.23 0.00 0.00 60.65 59.19 2eki s ILE 84 Cb -0.28 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 2eki s ILE 84 CO 0.03 -0.74 0.16 0.68 -1.23 0.00 0.00 174.94 173.83 2eki s VAL 85 N 6.02 5.25 -0.15 2.92 -7.23 -1.18 -4.78 120.40 121.24 2eki s VAL 85 Ca 0.65 -0.24 -0.05 0.00 -1.81 0.00 0.00 61.98 60.53 2eki s VAL 85 Cb -0.15 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 2eki s VAL 85 CO 0.31 0.32 0.03 -0.54 -0.31 0.00 0.00 175.10 174.92 2eki s LYS 86 N -1.91 3.70 -0.66 4.82 1.02 -1.26 -1.82 119.74 123.63 2eki s LYS 86 Ca 0.26 -0.39 -0.07 0.00 0.02 0.00 0.00 55.97 55.79 2eki s LYS 86 Cb -0.12 -3.06 -0.17 0.00 -0.52 0.00 0.00 37.83 33.96 2eki s LYS 86 CO 0.18 0.37 3.03 0.36 -0.92 0.00 0.00 175.35 178.36 2eki n LYS 87 N 3.21 2.46 -1.85 1.68 2.85 -0.78 -4.88 118.16 120.86 2eki n LYS 87 Ca -0.17 -1.40 -0.43 0.00 -1.05 0.00 0.00 58.31 55.26 2eki n LYS 87 Cb 0.53 -2.29 -0.03 0.00 -0.65 0.00 0.00 35.03 32.59 2eki n LYS 87 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2eki s SER 88 N 2.29 6.00 0.07 -5.58 1.04 -1.26 -4.98 113.70 111.29 2eki s SER 88 Ca 0.60 1.83 -0.08 0.00 0.48 0.00 0.00 55.95 58.79 2eki s SER 88 Cb 0.23 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.77 2eki s SER 88 CO -0.02 -1.53 0.35 -0.83 0.98 0.00 0.00 173.24 172.19 2eki s GLY 89 N 5.91 2.29 0.07 7.32 0.00 -1.26 -5.02 107.32 116.64 2eki s GLY 89 Ca 0.85 -0.48 -0.17 0.00 0.00 0.00 0.00 44.72 44.92 2eki s GLY 89 CO 0.34 -0.30 1.39 -0.56 0.00 0.00 0.00 173.10 173.97 2eki h PRO 90 N 3.60 0.54 -6.54 2.90 0.13 -2.04 -3.43 132.00 127.15 2eki h PRO 90 Ca -0.49 -0.28 -0.53 0.00 -0.87 0.00 0.00 66.00 63.83 2eki h PRO 90 Cb 1.19 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.36 2eki h PRO 90 CO 0.68 0.87 0.95 -1.54 -0.23 0.00 0.00 178.00 178.73 2eki s SER 91 N -6.34 6.57 -0.24 1.44 1.04 -1.26 -4.99 113.70 109.92 2eki s SER 91 Ca -0.13 2.59 -0.02 0.00 0.48 0.00 0.00 55.95 58.86 2eki s SER 91 Cb 0.07 -2.58 0.12 0.00 0.10 0.00 0.00 66.02 63.73 2eki s SER 91 CO 0.79 -0.87 0.29 -0.55 0.98 0.00 0.00 173.24 173.88 2eki s SER 92 N 1.78 1.17 0.00 7.02 0.15 -1.26 -5.21 113.70 117.34 2eki s SER 92 Ca 0.73 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2eki s SER 92 Cb -0.43 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2eki s SER 92 CO 0.32 -0.34 0.12 0.61 1.20 0.00 0.00 173.24 175.15