#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 6.73 -4.60 1.61 7.64 -1.26 -4.99 113.62 118.75 2eki n SER 2 Ca 0.00 -3.78 -0.24 0.00 1.01 0.00 0.00 58.87 55.86 2eki n SER 2 Cb 0.00 -0.79 -0.08 0.00 -1.01 0.00 0.00 64.21 62.33 2eki n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2eki s SER 3 N -2.28 4.22 0.00 6.43 0.15 -1.26 -5.10 113.70 115.86 2eki s SER 3 Ca 0.58 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2eki s SER 3 Cb 0.46 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2eki s SER 3 CO -0.09 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2eki n GLY 4 N -0.84 -1.81 3.24 9.45 0.00 -1.26 -5.10 105.19 108.87 2eki n GLY 4 Ca -0.05 1.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 6.48 0.35 1.61 0.15 -1.26 -5.01 113.70 116.03 2eki s SER 5 Ca 0.00 -3.24 0.00 0.00 0.70 0.00 0.00 55.95 53.41 2eki s SER 5 Cb 0.00 -2.08 -0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2eki s SER 5 CO 0.00 -0.36 0.45 -0.94 1.20 0.00 0.00 173.24 173.59 2eki s SER 6 N 1.09 1.18 0.00 5.45 1.04 -1.26 -5.15 113.70 116.05 2eki s SER 6 Ca 0.24 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 55.08 2eki s SER 6 Cb -0.11 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2eki s SER 6 CO -0.09 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.47 2eki n GLY 7 N -0.60 -1.20 0.97 7.32 0.00 -1.26 -5.02 105.19 105.39 2eki n GLY 7 Ca 0.02 0.94 0.08 0.00 0.00 0.00 0.00 46.02 47.06 2eki n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2eki n TYR 8 N 0.00 0.85 -2.54 1.61 0.18 -1.26 -4.95 117.16 111.04 2eki n TYR 8 Ca 0.00 -0.61 -0.43 0.00 1.88 0.00 0.00 57.90 58.74 2eki n TYR 8 Cb 0.00 -0.14 -0.02 0.00 -0.38 0.00 0.00 39.34 38.80 2eki n TYR 8 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2eki s LEU 9 N -1.62 3.71 0.51 -3.48 1.02 -1.26 -4.99 118.68 112.56 2eki s LEU 9 Ca 0.36 0.71 -0.22 0.00 0.02 0.00 0.00 54.13 55.00 2eki s LEU 9 Cb 0.23 -3.55 -0.07 0.00 0.02 0.00 0.00 46.19 42.83 2eki s LEU 9 CO 0.17 -1.20 1.21 1.17 0.02 0.00 0.00 176.35 177.72 2eki n LYS 10 N 7.66 1.55 -3.31 1.70 0.00 -1.26 -4.74 118.16 119.74 2eki n LYS 10 Ca 0.13 0.57 -0.40 0.00 0.00 0.00 0.00 58.31 58.61 2eki n LYS 10 Cb 0.48 -2.38 -0.08 0.00 0.00 0.00 0.00 35.03 33.05 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 -2.34 4.06 -0.52 3.14 2.01 -1.26 -1.45 118.68 122.33 2eki s LEU 11 Ca 0.69 0.37 -0.04 0.00 0.01 0.00 0.00 54.13 55.16 2eki s LEU 11 Cb -0.46 -2.54 0.14 0.00 0.01 0.00 0.00 46.19 43.34 2eki s LEU 11 CO 0.52 -0.24 0.33 -0.69 1.01 0.00 0.00 176.35 177.28 2eki s VAL 12 N 2.19 3.63 0.19 -1.59 1.01 0.26 -4.87 120.40 121.22 2eki s VAL 12 Ca 0.18 -2.41 -0.28 0.00 0.00 0.00 0.00 61.98 59.47 2eki s VAL 12 Cb -0.16 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 2eki s VAL 12 CO 0.10 -0.79 0.86 -0.13 0.00 0.00 0.00 175.10 175.14 2eki s ARG 13 N 0.64 4.70 -0.06 2.72 0.52 -1.26 -1.40 118.95 124.81 2eki s ARG 13 Ca 0.12 1.31 0.04 0.00 -0.52 0.00 0.00 55.73 56.68 2eki s ARG 13 Cb -0.22 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 31.97 2eki s ARG 13 CO -0.04 0.51 -0.16 0.42 0.02 0.00 0.00 175.30 176.05 2eki s ILE 14 N -1.02 1.42 -0.45 1.52 -1.09 -0.30 -0.92 121.20 120.37 2eki s ILE 14 Ca 0.39 -0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 57.98 2eki s ILE 14 Cb -0.24 -1.24 0.06 0.00 -1.58 0.00 0.00 42.46 39.46 2eki s ILE 14 CO 0.29 0.41 0.36 -0.31 -1.23 0.00 0.00 174.94 174.46 2eki s TYR 15 N 0.27 3.25 0.32 3.97 2.02 0.09 -1.76 117.35 125.51 2eki s TYR 15 Ca -0.09 -0.87 -0.29 0.00 -0.37 0.00 0.00 57.07 55.46 2eki s TYR 15 Cb -0.14 -2.97 -0.10 0.00 -0.40 0.00 0.00 41.96 38.35 2eki s TYR 15 CO 0.04 -0.74 1.25 -0.08 -1.57 0.00 0.00 175.55 174.45 2eki s THR 16 N 1.64 2.91 -0.26 -0.71 -1.32 -1.26 -1.58 115.64 115.06 2eki s THR 16 Ca 0.04 0.91 -0.07 0.00 -1.21 0.00 0.00 61.69 61.37 2eki s THR 16 Cb -0.23 -3.58 -0.01 0.00 -1.51 0.00 0.00 72.50 67.18 2eki s THR 16 CO 0.07 0.21 0.06 -0.75 -2.21 0.00 0.00 174.62 172.00 2eki s LYS 17 N -1.74 3.42 0.28 7.08 2.20 0.26 -2.90 119.74 128.32 2eki s LYS 17 Ca 0.48 -0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 55.17 2eki s LYS 17 Cb -0.38 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 32.56 2eki s LYS 17 CO 0.49 -0.28 1.25 -1.25 -0.36 0.00 0.00 175.35 175.21 2eki s PRO 18 N 1.55 4.44 -0.41 4.03 0.04 -1.26 -4.35 135.00 139.05 2eki s PRO 18 Ca 0.05 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 62.87 2eki s PRO 18 Cb -0.16 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 2eki s PRO 18 CO 0.02 -0.10 2.35 0.36 0.04 0.00 0.00 177.00 179.67 2eki n LYS 19 N 1.44 1.31 0.00 4.56 2.85 -1.26 -2.39 118.16 124.67 2eki n LYS 19 Ca 0.01 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 2eki n LYS 19 Cb 0.43 -3.20 0.00 0.00 -0.65 0.00 0.00 35.03 31.61 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 6.00 2.92 3.94 2.58 0.00 -1.26 -5.02 105.19 114.34 2eki n GLY 20 Ca 0.36 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 0.85 0.44 1.61 -0.21 -1.00 -5.07 119.66 116.28 2eki s GLN 21 Ca 0.00 -0.48 -0.09 0.00 0.02 0.00 0.00 55.36 54.81 2eki s GLN 21 Cb 0.00 -1.92 -0.05 0.00 1.00 0.00 0.00 33.01 32.04 2eki s GLN 21 CO 0.00 -2.24 0.79 -0.51 -2.12 0.00 0.00 175.29 171.21 2eki s LEU 22 N -5.77 3.73 0.51 2.90 1.43 -1.26 -4.12 118.68 116.10 2eki s LEU 22 Ca 0.72 1.09 -0.21 0.00 -1.03 0.00 0.00 54.13 54.70 2eki s LEU 22 Cb -0.04 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.11 2eki s LEU 22 CO 0.52 -0.49 1.14 -2.16 0.23 0.00 0.00 176.35 175.59 2eki s PRO 23 N -4.22 3.50 -0.12 1.29 0.04 -1.26 -4.22 135.00 130.01 2eki s PRO 23 Ca 0.50 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 2eki s PRO 23 Cb -0.10 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2eki s PRO 23 CO 0.37 -0.74 0.58 -0.51 0.04 0.00 0.00 177.00 176.74 2eki s ASP 24 N -1.62 6.76 -0.13 6.66 1.11 -1.14 -4.94 116.67 123.36 2eki s ASP 24 Ca 0.69 0.92 0.16 0.00 0.18 0.00 0.00 52.55 54.50 2eki s ASP 24 Cb -0.25 -2.34 0.38 0.00 1.07 0.00 0.00 42.92 41.78 2eki s ASP 24 CO 0.30 -0.10 1.27 -1.22 1.18 0.00 0.00 175.17 176.60 2eki n TYR 25 N 4.06 0.48 -0.09 4.23 4.01 -1.26 -4.48 117.16 124.11 2eki n TYR 25 Ca -0.04 -0.85 -0.14 0.00 -0.16 0.00 0.00 57.90 56.71 2eki n TYR 25 Cb 0.51 -0.21 -0.08 0.00 -0.31 0.00 0.00 39.34 39.25 2eki n TYR 25 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2eki n THR 26 N -0.74 1.02 -3.14 -0.72 -2.24 -1.26 -4.76 114.28 102.44 2eki n THR 26 Ca 0.17 -0.37 -0.26 0.00 -2.27 0.00 0.00 64.05 61.32 2eki n THR 26 Cb 0.71 -1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 67.66 2eki n THR 26 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2eki n SER 27 N -3.15 3.68 -3.69 3.42 7.64 -1.26 -5.09 113.62 115.18 2eki n SER 27 Ca -0.32 -3.49 -0.30 0.00 1.01 0.00 0.00 58.87 55.76 2eki n SER 27 Cb 0.82 -0.61 0.25 0.00 -1.01 0.00 0.00 64.21 63.67 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 -2.92 -1.45 -0.26 1.43 0.04 -1.26 -4.99 135.00 125.59 2eki s PRO 28 Ca 0.44 -0.15 -0.06 0.00 0.04 0.00 0.00 61.00 61.27 2eki s PRO 28 Cb 0.24 -1.58 -0.01 0.00 0.04 0.00 0.00 34.50 33.19 2eki s PRO 28 CO -0.09 -3.84 0.04 0.54 0.04 0.00 0.00 177.00 173.69 2eki s VAL 29 N -3.02 3.88 -0.61 -0.36 0.11 -0.72 -4.93 120.40 114.74 2eki s VAL 29 Ca 0.72 -0.48 -0.24 0.00 -2.93 0.00 0.00 61.98 59.04 2eki s VAL 29 Cb -0.08 -2.88 0.05 0.00 -1.53 0.00 0.00 36.38 31.94 2eki s VAL 29 CO 0.56 0.26 1.01 -0.69 -3.33 0.00 0.00 175.10 172.91 2eki s VAL 30 N 1.53 4.25 -0.02 2.04 1.01 -1.26 -1.14 120.40 126.80 2eki s VAL 30 Ca 0.05 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 2eki s VAL 30 Cb -0.16 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.54 2eki s VAL 30 CO 0.01 -1.33 0.05 -0.76 0.00 0.00 0.00 175.10 173.06 2eki s LEU 31 N 4.30 3.75 0.46 3.92 1.43 -0.49 -4.94 118.68 127.11 2eki s LEU 31 Ca 0.29 0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 53.28 2eki s LEU 31 Cb -0.13 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 2eki s LEU 31 CO 0.16 0.30 1.17 -2.16 0.23 0.00 0.00 176.35 176.05 2eki s PRO 32 N -1.49 3.77 0.03 1.29 0.04 -1.26 -0.57 135.00 136.82 2eki s PRO 32 Ca 0.20 1.78 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 2eki s PRO 32 Cb -0.12 -2.42 -0.17 0.00 0.04 0.00 0.00 34.50 31.83 2eki s PRO 32 CO 0.10 -0.54 1.31 -0.92 0.04 0.00 0.00 177.00 176.99 2eki h TYR 33 N 2.08 -0.96 -1.30 0.56 3.20 -1.54 -2.93 116.97 116.08 2eki h TYR 33 Ca -0.49 -0.02 0.47 0.00 3.14 0.00 0.00 58.73 61.82 2eki h TYR 33 Cb 1.25 0.32 -0.15 0.00 1.54 0.00 0.00 36.73 39.69 2eki h TYR 33 CO 0.53 -0.59 0.81 1.03 -1.64 0.00 0.00 178.16 178.30 2eki h SER 34 N -1.22 0.23 -3.82 -2.11 0.87 -1.94 -3.07 113.55 102.49 2eki h SER 34 Ca -0.11 0.18 -0.64 0.00 -1.23 0.00 0.00 61.79 60.00 2eki h SER 34 Cb 0.81 0.19 -0.40 0.00 -0.44 0.00 0.00 62.40 62.56 2eki h SER 34 CO 0.17 -0.31 -0.70 -0.13 -0.53 0.00 0.00 176.83 175.34 2eki s ARG 35 N -5.33 1.52 -0.13 2.24 1.81 -1.11 -5.07 118.95 112.90 2eki s ARG 35 Ca -0.08 -2.03 -0.02 0.00 -1.72 0.00 0.00 55.73 51.88 2eki s ARG 35 Cb 0.32 -3.00 0.04 0.00 -0.45 0.00 0.00 34.95 31.86 2eki s ARG 35 CO 0.82 -1.02 0.02 0.95 -0.68 0.00 0.00 175.30 175.38 2eki s THR 36 N 0.55 0.39 -0.10 0.02 -4.23 -1.16 -4.08 115.64 107.03 2eki s THR 36 Ca 0.13 -0.16 -0.30 0.00 -1.18 0.00 0.00 61.69 60.19 2eki s THR 36 Cb -0.22 -0.72 0.11 0.00 1.34 0.00 0.00 72.50 73.02 2eki s THR 36 CO -0.07 0.04 0.94 0.42 -0.54 0.00 0.00 174.62 175.41 2eki s THR 37 N 1.94 0.00 0.42 3.99 -4.23 -1.26 -3.91 115.64 112.59 2eki s THR 37 Ca 0.03 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.76 2eki s THR 37 Cb -0.14 -1.00 0.43 0.00 1.34 0.00 0.00 72.50 73.12 2eki s THR 37 CO -0.07 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.33 2eki h VAL 38 N 2.38 0.42 -0.22 2.29 2.07 -1.57 0.23 116.25 121.85 2eki h VAL 38 Ca -0.20 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 2eki h VAL 38 Cb 1.19 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2eki h VAL 38 CO 0.31 0.05 -0.26 1.05 0.02 0.00 0.00 177.57 178.75 2eki h GLU 39 N 0.29 0.56 -0.85 1.57 4.11 -1.85 -2.73 114.58 115.68 2eki h GLU 39 Ca 0.64 -0.31 0.21 0.00 0.07 0.00 0.00 59.36 59.97 2eki h GLU 39 Cb 1.82 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 31.03 2eki h GLU 39 CO -0.30 0.91 0.58 0.22 0.07 0.00 0.00 179.01 180.49 2eki h ASP 40 N 0.24 0.24 0.00 3.06 1.82 -0.89 -1.41 116.42 119.50 2eki h ASP 40 Ca 0.03 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 2eki h ASP 40 Cb 0.82 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.82 2eki h ASP 40 CO 0.06 0.10 -0.13 0.15 -1.61 0.00 0.00 179.24 177.81 2eki h PHE 41 N 0.24 0.13 -0.97 0.28 3.04 -1.36 -3.26 116.94 115.04 2eki h PHE 41 Ca 0.43 -0.07 0.27 0.00 3.98 0.00 0.00 57.97 62.58 2eki h PHE 41 Cb 1.29 -0.01 -0.14 0.00 2.56 0.00 0.00 35.95 39.65 2eki h PHE 41 CO -0.00 0.90 0.51 0.00 -2.02 0.00 0.00 178.31 177.69 2eki h MET 43 N 0.40 0.41 -0.99 0.00 2.86 -1.52 0.78 114.93 116.88 2eki h MET 43 Ca 0.65 -0.04 0.25 0.00 -2.06 0.00 0.00 59.70 58.50 2eki h MET 43 Cb 1.36 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.86 2eki h MET 43 CO -0.56 0.33 0.65 0.87 1.06 0.00 0.00 176.91 179.26 2eki h LYS 44 N 0.38 0.33 0.00 1.72 1.79 -0.69 -3.13 116.57 116.96 2eki h LYS 44 Ca 0.11 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2eki h LYS 44 Cb 0.03 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2eki h LYS 44 CO -0.02 0.22 -0.03 0.82 -1.08 0.00 0.00 179.45 179.35 2eki h ILE 45 N 0.34 0.00 -3.72 1.86 1.08 -1.18 -3.49 117.51 112.39 2eki h ILE 45 Ca 0.53 -0.11 -0.26 0.00 -0.39 0.00 0.00 64.86 64.62 2eki h ILE 45 Cb 1.45 0.00 -0.29 0.00 -3.07 0.00 0.00 36.82 34.90 2eki h ILE 45 CO -0.20 0.00 -0.73 -2.28 -0.69 0.00 0.00 178.15 174.25 2eki s HIS 46 N -1.11 0.12 -0.15 1.37 2.46 0.21 -5.02 115.29 113.18 2eki s HIS 46 Ca -0.01 -0.00 0.30 0.00 0.47 0.00 0.00 55.06 55.81 2eki s HIS 46 Cb 0.00 -0.12 1.17 0.00 -0.13 0.00 0.00 32.58 33.51 2eki s HIS 46 CO 0.01 -0.02 1.87 1.57 -2.47 0.00 0.00 174.74 175.70 2eki h LYS 47 N 6.33 0.00 -0.57 2.88 2.10 -1.78 -2.88 116.57 122.66 2eki h LYS 47 Ca -0.29 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.00 2eki h LYS 47 Cb 1.19 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.29 2eki h LYS 47 CO 0.50 0.00 -0.16 -1.71 -2.00 0.00 0.00 179.45 176.08 2eki n ASN 48 N -2.78 4.00 -0.12 7.07 4.05 -1.26 -4.64 115.26 121.58 2eki n ASN 48 Ca 0.01 -3.79 -0.25 0.00 0.45 0.00 0.00 54.58 51.00 2eki n ASN 48 Cb 0.30 -0.60 -0.11 0.00 1.23 0.00 0.00 39.78 40.59 2eki n ASN 48 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 2eki n LEU 49 N -0.97 1.98 -0.41 1.20 7.94 -1.09 -4.28 117.00 121.37 2eki n LEU 49 Ca 0.41 0.35 0.35 0.00 -1.11 0.00 0.00 56.01 56.01 2eki n LEU 49 Cb 0.95 -0.91 0.66 0.00 0.53 0.00 0.00 43.42 44.66 2eki n LEU 49 CO 0.35 0.46 1.29 -0.29 -1.11 0.00 0.00 177.39 178.09 2eki h ILE 50 N -0.91 0.29 -0.68 1.96 6.09 -1.82 0.97 117.51 123.41 2eki h ILE 50 Ca -0.52 -0.05 -0.05 0.00 -1.37 0.00 0.00 64.86 62.87 2eki h ILE 50 Cb 1.50 0.15 -0.03 0.00 0.47 0.00 0.00 36.82 38.91 2eki h ILE 50 CO -0.29 0.02 0.21 0.11 -3.07 0.00 0.00 178.15 175.14 2eki h LYS 51 N 0.13 1.04 0.00 2.19 1.57 -1.90 -2.71 116.57 116.90 2eki h LYS 51 Ca 0.71 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2eki h LYS 51 Cb 2.36 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.52 2eki h LYS 51 CO -0.22 0.89 -0.94 0.39 -0.57 0.00 0.00 179.45 179.00 2eki n GLU 52 N -4.26 0.35 -1.77 3.15 -0.58 0.28 -4.90 120.64 112.91 2eki n GLU 52 Ca 0.05 0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.41 2eki n GLU 52 Cb 0.22 -1.65 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 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 -3.23 1.92 -0.23 -0.32 5.36 0.18 -2.21 117.98 119.44 2eki s PHE 53 Ca 0.03 -0.07 -0.03 0.00 -0.96 0.00 0.00 56.93 55.91 2eki s PHE 53 Cb 0.13 -4.13 -0.14 0.00 -0.34 0.00 0.00 43.02 38.54 2eki s PHE 53 CO 0.78 -4.80 -0.24 1.17 -1.46 0.00 0.00 175.22 170.67 2eki n LYS 54 N 6.35 0.56 -3.66 10.12 4.81 -0.35 -4.88 118.16 131.11 2eki n LYS 54 Ca 0.18 0.16 -0.06 0.00 -0.87 0.00 0.00 58.31 57.72 2eki n LYS 54 Cb 0.40 -1.43 -0.02 0.00 0.02 0.00 0.00 35.03 34.00 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 -2.46 -0.24 -0.02 5.64 -0.85 -1.25 -4.86 117.35 113.31 2eki s TYR 55 Ca -0.32 -0.02 0.02 0.00 -0.52 0.00 0.00 57.07 56.23 2eki s TYR 55 Cb 0.10 0.61 0.01 0.00 0.38 0.00 0.00 41.96 43.05 2eki s TYR 55 CO 0.50 -0.79 -0.07 0.00 -1.52 0.00 0.00 175.55 173.68 2eki s ALA 56 N -3.34 0.69 -0.49 9.51 0.00 -0.64 -2.47 121.76 125.02 2eki s ALA 56 Ca 0.09 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.69 2eki s ALA 56 Cb -0.02 -0.29 0.10 0.00 0.00 0.00 0.00 23.12 22.92 2eki s ALA 56 CO -0.02 0.09 0.41 -0.51 0.00 0.00 0.00 175.76 175.73 2eki s LEU 57 N 0.30 5.78 0.12 0.00 1.43 -1.17 -1.97 118.68 123.17 2eki s LEU 57 Ca -0.04 -1.61 -0.19 0.00 -1.03 0.00 0.00 54.13 51.25 2eki s LEU 57 Cb -0.08 -2.14 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 2eki s LEU 57 CO 0.00 -0.72 0.62 -0.69 0.23 0.00 0.00 176.35 175.79 2eki s VAL 58 N 1.55 4.68 -0.42 -1.59 1.01 -1.24 -2.45 120.40 121.94 2eki s VAL 58 Ca 0.04 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2eki s VAL 58 Cb -0.27 -3.90 0.13 0.00 0.00 0.00 0.00 36.38 32.34 2eki s VAL 58 CO 0.04 0.46 0.21 0.26 0.00 0.00 0.00 175.10 176.06 2eki s TRP 59 N -1.23 2.15 0.00 5.22 0.51 -0.40 -3.82 118.94 121.38 2eki s TRP 59 Ca 0.33 -2.42 0.00 0.00 -2.12 0.00 0.00 56.10 51.89 2eki s TRP 59 Cb -0.19 -2.01 0.00 0.00 -0.81 0.00 0.00 33.47 30.46 2eki s TRP 59 CO 0.20 -0.80 0.00 0.41 -0.51 0.00 0.00 176.95 176.25 2eki n GLY 60 N 3.75 1.38 0.12 0.98 0.00 -1.26 -3.71 105.19 106.45 2eki n GLY 60 Ca 0.06 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.71 0.99 4.07 -1.95 -3.29 115.31 113.43 2eki h LEU 61 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2eki h LEU 61 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2eki h LEU 61 CO 0.00 0.57 0.40 0.77 -1.08 0.00 0.00 178.44 179.10 2eki h SER 62 N 0.00 0.00 -3.38 -0.43 4.64 -1.94 -3.40 113.55 109.04 2eki h SER 62 Ca -0.06 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.80 2eki h SER 62 Cb 1.49 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.43 2eki h SER 62 CO 0.06 0.00 -0.74 0.68 -0.87 0.00 0.00 176.83 175.96 2eki s VAL 63 N -4.03 1.69 -0.10 0.95 -7.23 -1.24 -5.06 120.40 105.37 2eki s VAL 63 Ca -0.03 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 57.98 2eki s VAL 63 Cb 0.07 -1.95 -0.27 0.00 0.56 0.00 0.00 36.38 34.80 2eki s VAL 63 CO 0.23 -0.53 0.44 0.11 -0.31 0.00 0.00 175.10 175.04 2eki h LYS 64 N 2.79 0.26 -3.60 4.82 6.56 -1.85 -3.46 116.57 122.10 2eki h LYS 64 Ca -0.39 -0.45 -0.50 0.00 -1.06 0.00 0.00 60.65 58.26 2eki h LYS 64 Cb 1.21 0.17 -0.39 0.00 -0.57 0.00 0.00 32.23 32.65 2eki h LYS 64 CO 0.59 1.18 -0.77 -1.01 -2.06 0.00 0.00 179.45 177.38 2eki s HIS 65 N -2.57 0.93 0.20 -1.35 3.76 -1.26 -5.13 115.29 109.88 2eki s HIS 65 Ca -0.20 -0.67 0.08 0.00 -0.15 0.00 0.00 55.06 54.12 2eki s HIS 65 Cb 0.07 -0.97 -0.04 0.00 1.11 0.00 0.00 32.58 32.75 2eki s HIS 65 CO 0.79 -0.53 0.01 0.54 -0.85 0.00 0.00 174.74 174.69 2eki s ASN 66 N 1.89 4.77 0.28 1.40 2.20 -1.26 -3.55 114.94 120.67 2eki s ASN 66 Ca 0.01 -0.44 -0.29 0.00 -0.94 0.00 0.00 52.86 51.19 2eki s ASN 66 Cb -0.16 -1.00 -0.10 0.00 -2.00 0.00 0.00 41.25 37.99 2eki s ASN 66 CO -0.07 0.06 1.25 -2.16 -2.94 0.00 0.00 177.10 173.24 2eki s PRO 67 N -3.16 4.45 -0.16 3.55 0.04 -1.26 -5.12 135.00 133.33 2eki s PRO 67 Ca 0.29 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.36 2eki s PRO 67 Cb -0.09 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 2eki s PRO 67 CO 0.19 -0.09 -0.09 -1.14 0.04 0.00 0.00 177.00 175.91 2eki s GLN 68 N -1.25 3.43 -0.17 4.56 0.74 -1.23 -5.00 119.66 120.74 2eki s GLN 68 Ca 0.50 -0.64 -0.29 0.00 0.05 0.00 0.00 55.36 54.98 2eki s GLN 68 Cb -0.37 -2.80 -0.02 0.00 1.10 0.00 0.00 33.01 30.93 2eki s GLN 68 CO 0.46 0.09 1.42 0.21 -0.55 0.00 0.00 175.29 176.92 2eki s LYS 69 N 0.69 4.10 0.33 1.67 2.20 -1.26 -3.65 119.74 123.82 2eki s LYS 69 Ca -0.04 1.72 0.04 0.00 -0.36 0.00 0.00 55.97 57.33 2eki s LYS 69 Cb -0.15 -3.88 -0.06 0.00 -1.51 0.00 0.00 37.83 32.23 2eki s LYS 69 CO 0.02 -0.90 0.06 0.14 -0.36 0.00 0.00 175.35 174.31 2eki s VAL 70 N 4.03 1.20 0.00 4.02 -7.23 -0.83 -4.96 120.40 116.63 2eki s VAL 70 Ca 0.62 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 2eki s VAL 70 Cb -0.24 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 33.92 2eki s VAL 70 CO 0.22 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 2eki n GLY 71 N -0.72 3.03 0.05 2.32 0.00 -1.26 -1.62 105.19 107.00 2eki n GLY 71 Ca -0.03 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.89 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 1.19 0.00 1.61 2.85 -1.26 -4.21 118.16 118.34 2eki n LYS 72 Ca 0.00 -0.11 0.13 0.00 -1.05 0.00 0.00 58.31 57.28 2eki n LYS 72 Cb 0.00 -1.34 0.39 0.00 -0.65 0.00 0.00 35.03 33.43 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 -1.25 1.62 -4.78 -5.58 -0.08 -1.26 -3.83 116.55 101.39 2eki n ASP 73 Ca 0.04 -1.41 -0.37 0.00 -1.51 0.00 0.00 54.79 51.54 2eki n ASP 73 Cb 0.29 0.07 -0.05 0.00 2.34 0.00 0.00 41.12 43.77 2eki n ASP 73 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2eki s HIS 74 N -2.16 3.40 -0.14 -0.67 2.46 -1.26 -4.95 115.29 111.96 2eki s HIS 74 Ca 0.32 1.68 -0.14 0.00 0.47 0.00 0.00 55.06 57.39 2eki s HIS 74 Cb 0.20 -3.10 -0.05 0.00 -0.13 0.00 0.00 32.58 29.51 2eki s HIS 74 CO 0.39 -0.42 0.30 0.99 -2.47 0.00 0.00 174.74 173.53 2eki s THR 75 N -1.60 5.29 0.64 0.89 2.01 -1.26 -2.02 115.64 119.59 2eki s THR 75 Ca 0.54 0.57 -0.07 0.00 0.31 0.00 0.00 61.69 63.04 2eki s THR 75 Cb -0.22 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.67 2eki s THR 75 CO 0.28 0.42 0.97 -0.76 -0.69 0.00 0.00 174.62 174.83 2eki s LEU 76 N 0.26 3.09 0.23 4.42 1.43 -1.25 -4.92 118.68 121.94 2eki s LEU 76 Ca 0.17 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.10 2eki s LEU 76 Cb -0.13 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 2eki s LEU 76 CO 0.05 -1.21 -0.02 -1.61 0.23 0.00 0.00 176.35 173.80 2eki s GLU 77 N -5.12 1.35 0.43 1.70 0.41 -1.26 -4.84 118.70 111.37 2eki s GLU 77 Ca 0.56 -1.68 -0.25 0.00 -0.41 0.00 0.00 54.97 53.19 2eki s GLU 77 Cb -0.11 -0.69 -0.08 0.00 -1.78 0.00 0.00 34.13 31.47 2eki s GLU 77 CO 0.47 -0.07 1.22 0.16 -0.49 0.00 0.00 175.26 176.55 2eki s ASP 78 N -3.32 6.29 -1.47 -0.19 1.47 -1.26 -3.16 116.67 115.03 2eki s ASP 78 Ca 0.28 2.45 -0.09 0.00 1.18 0.00 0.00 52.55 56.37 2eki s ASP 78 Cb 0.05 -2.62 0.06 0.00 -0.34 0.00 0.00 42.92 40.07 2eki s ASP 78 CO 0.09 -0.85 0.82 -0.62 0.68 0.00 0.00 175.17 175.29 2eki n GLU 79 N -0.13 -4.90 -4.74 2.11 -0.58 -0.10 -4.91 120.64 107.41 2eki n GLU 79 Ca 0.05 0.56 -0.31 0.00 -0.42 0.00 0.00 57.16 57.05 2eki n GLU 79 Cb 0.46 -5.26 -0.13 0.00 -0.57 0.00 0.00 31.44 25.94 2eki n GLU 79 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2eki s ASP 80 N -3.73 3.64 -0.08 1.62 -1.08 -1.19 -4.96 116.67 110.89 2eki s ASP 80 Ca 0.41 -0.46 -0.05 0.00 -0.52 0.00 0.00 52.55 51.93 2eki s ASP 80 Cb -0.21 -0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 40.68 2eki s ASP 80 CO 0.84 0.26 0.13 -0.69 0.52 0.00 0.00 175.17 176.23 2eki s VAL 81 N -0.88 5.26 0.13 1.11 1.01 -1.24 -0.73 120.40 125.05 2eki s VAL 81 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2eki s VAL 81 Cb -0.10 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2eki s VAL 81 CO 0.04 0.52 -0.10 -0.51 0.00 0.00 0.00 175.10 175.05 2eki s ILE 82 N -1.09 1.10 -0.34 2.22 2.07 -0.61 -1.27 121.20 123.26 2eki s ILE 82 Ca 0.18 -1.87 0.01 0.00 -1.41 0.00 0.00 60.65 57.56 2eki s ILE 82 Cb -0.12 -1.64 0.11 0.00 0.13 0.00 0.00 42.46 40.94 2eki s ILE 82 CO 0.08 -0.65 0.11 -1.58 -1.91 0.00 0.00 174.94 171.00 2eki s GLN 83 N -3.30 1.01 -0.34 3.50 2.00 -1.03 0.89 119.66 122.40 2eki s GLN 83 Ca 0.12 -1.44 -0.29 0.00 -2.00 0.00 0.00 55.36 51.75 2eki s GLN 83 Cb -0.00 -2.35 -0.00 0.00 0.80 0.00 0.00 33.01 31.45 2eki s GLN 83 CO 0.00 -1.01 1.50 0.42 -0.50 0.00 0.00 175.29 175.71 2eki s ILE 84 N 1.21 3.83 -0.10 -2.34 -1.09 -1.26 -3.05 121.20 118.39 2eki s ILE 84 Ca 0.11 0.88 -0.02 0.00 -2.23 0.00 0.00 60.65 59.39 2eki s ILE 84 Cb -0.19 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 2eki s ILE 84 CO -0.17 -0.55 -0.01 -0.69 -1.23 0.00 0.00 174.94 172.29 2eki s VAL 85 N 5.47 4.18 -0.13 2.92 1.01 -1.03 -4.88 120.40 127.93 2eki s VAL 85 Ca 0.66 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 2eki s VAL 85 Cb -0.18 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2eki s VAL 85 CO 0.30 0.57 -0.05 -0.54 0.00 0.00 0.00 175.10 175.39 2eki s LYS 86 N -0.54 3.46 0.23 2.72 1.02 -1.26 -1.21 119.74 124.16 2eki s LYS 86 Ca 0.09 -0.54 -0.27 0.00 0.02 0.00 0.00 55.97 55.27 2eki s LYS 86 Cb -0.12 -2.82 -0.17 0.00 -0.52 0.00 0.00 37.83 34.20 2eki s LYS 86 CO 0.02 0.33 0.52 1.63 -0.92 0.00 0.00 175.35 176.93 2eki n LYS 87 N 3.24 0.13 -4.15 1.68 5.02 -0.94 -4.91 118.16 118.23 2eki n LYS 87 Ca -0.18 0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 55.95 2eki n LYS 87 Cb 0.53 -1.08 -0.16 0.00 -0.02 0.00 0.00 35.03 34.29 2eki n LYS 87 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2eki s SER 88 N -0.96 1.06 0.00 4.39 0.01 -1.26 -5.08 113.70 111.86 2eki s SER 88 Ca 0.63 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.75 2eki s SER 88 Cb -0.87 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 64.88 2eki s SER 88 CO 0.57 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.77 2eki n GLY 89 N 4.13 5.92 0.23 3.44 0.00 -1.26 -5.05 105.19 112.60 2eki n GLY 89 Ca -0.23 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 43.90 2eki n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eki h PRO 90 N 0.00 0.58 -1.58 1.61 0.13 -2.07 -3.45 132.00 127.22 2eki h PRO 90 Ca 0.00 -0.30 0.09 0.00 -0.87 0.00 0.00 66.00 64.92 2eki h PRO 90 Cb 0.00 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 30.87 2eki h PRO 90 CO 0.00 0.89 0.39 0.45 -0.23 0.00 0.00 178.00 179.50 2eki s SER 91 N -6.86 -0.51 -0.10 1.44 0.15 -1.26 -5.16 113.70 101.40 2eki s SER 91 Ca -0.08 0.86 -0.06 0.00 0.70 0.00 0.00 55.95 57.38 2eki s SER 91 Cb 0.12 1.11 -0.04 0.00 -1.71 0.00 0.00 66.02 65.50 2eki s SER 91 CO 0.83 -0.14 0.14 -0.55 1.20 0.00 0.00 173.24 174.72 2eki s SER 92 N 1.02 6.33 0.00 5.45 0.15 -1.26 -5.21 113.70 120.18 2eki s SER 92 Ca -0.05 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2eki s SER 92 Cb -0.04 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2eki s SER 92 CO -0.13 0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.30