#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 4.24 0.23 1.61 0.15 -1.26 -4.99 113.70 113.68 2eki s SER 2 Ca 0.00 -1.76 -0.06 0.00 0.70 0.00 0.00 55.95 54.83 2eki s SER 2 Cb 0.00 -1.13 0.36 0.00 -1.71 0.00 0.00 66.02 63.54 2eki s SER 2 CO 0.00 -0.39 1.79 -1.28 1.20 0.00 0.00 173.24 174.56 2eki h SER 3 N 7.93 0.52 -1.59 5.45 0.87 -2.11 -3.43 113.55 121.19 2eki h SER 3 Ca -0.11 0.06 -0.50 0.00 -1.23 0.00 0.00 61.79 60.01 2eki h SER 3 Cb 1.02 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.91 2eki h SER 3 CO 0.48 0.29 -0.41 -0.83 -0.53 0.00 0.00 176.83 175.84 2eki s GLY 4 N -3.23 2.10 0.17 5.77 0.00 -1.26 -5.14 107.32 105.72 2eki s GLY 4 Ca -0.12 -1.87 0.06 0.00 0.00 0.00 0.00 44.72 42.78 2eki s GLY 4 CO 0.77 -1.71 0.08 -1.35 0.00 0.00 0.00 173.10 170.89 2eki s SER 5 N -4.07 5.20 -0.02 1.64 1.04 -1.26 -5.04 113.70 111.19 2eki s SER 5 Ca 0.46 -0.24 -0.20 0.00 0.48 0.00 0.00 55.95 56.45 2eki s SER 5 Cb -0.03 -1.26 -0.29 0.00 0.10 0.00 0.00 66.02 64.54 2eki s SER 5 CO 0.27 0.08 0.99 -1.28 0.98 0.00 0.00 173.24 174.27 2eki h SER 6 N 2.57 0.56 0.00 7.02 0.87 -1.99 -3.50 113.55 119.08 2eki h SER 6 Ca -0.47 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.21 2eki h SER 6 Cb 1.20 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2eki h SER 6 CO 0.61 1.39 0.00 0.61 -0.53 0.00 0.00 176.83 178.91 2eki n GLY 7 N 1.47 -0.98 1.16 5.77 0.00 -1.26 -4.92 105.19 106.43 2eki n GLY 7 Ca -0.13 0.37 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.29 1.61 0.18 -1.26 -4.80 117.16 111.45 2eki n TYR 8 Ca 0.00 -0.55 -0.34 0.00 1.88 0.00 0.00 57.90 58.90 2eki n TYR 8 Cb 0.00 -0.34 -0.04 0.00 -0.38 0.00 0.00 39.34 38.58 2eki n TYR 8 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 2eki s LEU 9 N -1.01 3.34 0.50 -3.48 1.98 -1.26 -4.91 118.68 113.83 2eki s LEU 9 Ca 0.19 -1.23 -0.03 0.00 -2.89 0.00 0.00 54.13 50.17 2eki s LEU 9 Cb 0.15 -2.57 -0.01 0.00 0.66 0.00 0.00 46.19 44.42 2eki s LEU 9 CO 0.05 -2.18 0.76 -0.75 -1.89 0.00 0.00 176.35 172.33 2eki s LYS 10 N 5.95 3.11 -0.11 1.98 2.20 -1.26 -4.98 119.74 126.63 2eki s LYS 10 Ca 0.60 -0.20 0.02 0.00 -0.36 0.00 0.00 55.97 56.03 2eki s LYS 10 Cb -0.03 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 2eki s LYS 10 CO -0.02 -0.38 -0.19 -0.51 -0.36 0.00 0.00 175.35 173.89 2eki s LEU 11 N -4.72 2.37 -0.34 5.43 1.43 -1.26 -2.40 118.68 119.19 2eki s LEU 11 Ca 0.50 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 2eki s LEU 11 Cb -0.10 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.68 2eki s LEU 11 CO 0.41 0.17 0.08 -0.69 0.23 0.00 0.00 176.35 176.56 2eki s VAL 12 N 0.29 3.27 -0.01 -1.59 1.01 -0.40 -4.89 120.40 118.08 2eki s VAL 12 Ca -0.14 -1.51 -0.24 0.00 0.00 0.00 0.00 61.98 60.09 2eki s VAL 12 Cb -0.17 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2eki s VAL 12 CO 0.07 -0.29 0.73 -0.13 0.00 0.00 0.00 175.10 175.48 2eki s ARG 13 N 1.26 4.45 -0.14 2.72 0.52 -1.26 -1.36 118.95 125.14 2eki s ARG 13 Ca -0.01 0.97 0.01 0.00 -0.52 0.00 0.00 55.73 56.18 2eki s ARG 13 Cb -0.21 -3.40 0.02 0.00 0.52 0.00 0.00 34.95 31.88 2eki s ARG 13 CO -0.01 0.19 -0.16 0.42 0.02 0.00 0.00 175.30 175.76 2eki s ILE 14 N 0.34 1.65 -0.61 1.52 -1.09 -0.86 -0.86 121.20 121.28 2eki s ILE 14 Ca 0.38 -0.70 -0.20 0.00 -2.23 0.00 0.00 60.65 57.90 2eki s ILE 14 Cb -0.19 -1.52 0.10 0.00 -1.58 0.00 0.00 42.46 39.26 2eki s ILE 14 CO 0.20 0.47 0.77 -0.31 -1.23 0.00 0.00 174.94 174.85 2eki s TYR 15 N 1.27 2.93 0.31 3.97 2.02 0.70 -2.06 117.35 126.49 2eki s TYR 15 Ca 0.01 -0.89 -0.29 0.00 -0.37 0.00 0.00 57.07 55.53 2eki s TYR 15 Cb -0.14 -4.08 -0.10 0.00 -0.40 0.00 0.00 41.96 37.24 2eki s TYR 15 CO -0.08 -1.38 1.29 -0.08 -1.57 0.00 0.00 175.55 173.74 2eki s THR 16 N 2.97 2.84 -0.17 -0.71 -1.32 -1.26 -2.01 115.64 115.98 2eki s THR 16 Ca 0.14 0.82 -0.02 0.00 -1.21 0.00 0.00 61.69 61.42 2eki s THR 16 Cb -0.22 -3.52 -0.01 0.00 -1.51 0.00 0.00 72.50 67.23 2eki s THR 16 CO 0.07 0.19 -0.08 -0.75 -2.21 0.00 0.00 174.62 171.83 2eki s LYS 17 N -1.56 3.43 0.45 7.08 2.20 0.78 -3.57 119.74 128.56 2eki s LYS 17 Ca 0.49 -0.63 -0.08 0.00 -0.36 0.00 0.00 55.97 55.39 2eki s LYS 17 Cb -0.39 -2.82 0.11 0.00 -1.51 0.00 0.00 37.83 33.23 2eki s LYS 17 CO 0.50 0.07 0.40 -0.35 -0.36 0.00 0.00 175.35 175.61 2eki n PRO 18 N 3.99 -1.82 -3.19 4.03 -0.04 -1.26 -4.07 135.00 132.63 2eki n PRO 18 Ca -0.18 -0.64 -0.45 0.00 -0.04 0.00 0.00 63.50 62.18 2eki n PRO 18 Cb 0.52 -0.60 -0.01 0.00 -0.04 0.00 0.00 33.50 33.36 2eki n PRO 18 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2eki s LYS 19 N -3.91 3.81 0.00 0.54 1.02 -1.26 -4.48 119.74 115.46 2eki s LYS 19 Ca 0.26 -2.50 0.00 0.00 0.02 0.00 0.00 55.97 53.75 2eki s LYS 19 Cb -0.03 -4.65 0.00 0.00 -0.52 0.00 0.00 37.83 32.63 2eki s LYS 19 CO 0.20 -1.45 0.00 0.41 -0.92 0.00 0.00 175.35 173.59 2eki n GLY 20 N 4.04 3.28 3.79 -3.33 0.00 -1.26 -5.07 105.19 106.64 2eki n GLY 20 Ca 0.22 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 2eki n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2eki s GLN 21 N 0.00 0.18 0.27 1.61 2.00 -1.26 -5.04 119.66 117.41 2eki s GLN 21 Ca 0.00 -0.14 -0.16 0.00 -2.00 0.00 0.00 55.36 53.06 2eki s GLN 21 Cb 0.00 -1.77 -0.08 0.00 0.80 0.00 0.00 33.01 31.96 2eki s GLN 21 CO 0.00 -2.77 0.70 -0.51 -0.50 0.00 0.00 175.29 172.21 2eki s LEU 22 N -6.25 4.19 -0.00 3.68 1.43 -1.26 -4.33 118.68 116.13 2eki s LEU 22 Ca 0.70 1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 2eki s LEU 22 Cb -0.08 -3.81 -0.06 0.00 0.03 0.00 0.00 46.19 42.27 2eki s LEU 22 CO 0.54 -0.09 1.45 -2.16 0.23 0.00 0.00 176.35 176.32 2eki s PRO 23 N -2.56 4.26 -0.08 1.29 0.04 -1.26 -4.59 135.00 132.10 2eki s PRO 23 Ca 0.48 2.02 -0.33 0.00 0.04 0.00 0.00 61.00 63.22 2eki s PRO 23 Cb -0.13 -3.61 -0.10 0.00 0.04 0.00 0.00 34.50 30.69 2eki s PRO 23 CO 0.19 -0.62 1.96 -0.25 0.04 0.00 0.00 177.00 178.31 2eki n ASP 24 N 5.58 3.57 -1.15 6.66 9.92 -1.23 -4.84 116.55 135.06 2eki n ASP 24 Ca 0.14 0.86 0.12 0.00 -0.53 0.00 0.00 54.79 55.37 2eki n ASP 24 Cb 0.43 -1.42 0.21 0.00 -0.64 0.00 0.00 41.12 39.70 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 7.52 0.49 0.17 1.24 4.01 -1.26 -4.10 117.16 125.23 2eki n TYR 25 Ca 0.24 -0.25 0.02 0.00 -0.16 0.00 0.00 57.90 57.74 2eki n TYR 25 Cb 0.34 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.36 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 1.49 0.00 -2.72 -0.72 -2.24 -1.26 -4.71 114.28 104.12 2eki n THR 26 Ca 0.19 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 61.33 2eki n THR 26 Cb 0.61 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 2eki n THR 26 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2eki n SER 27 N -0.38 2.66 -4.77 3.42 2.88 -1.26 -5.11 113.62 111.07 2eki n SER 27 Ca 0.02 -3.16 -0.32 0.00 -1.33 0.00 0.00 58.87 54.07 2eki n SER 27 Cb 0.08 -0.53 0.07 0.00 -0.75 0.00 0.00 64.21 63.08 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 -3.18 2.57 -0.39 -1.46 0.04 -1.26 -4.90 135.00 126.43 2eki s PRO 28 Ca 0.38 1.31 -0.14 0.00 0.04 0.00 0.00 61.00 62.59 2eki s PRO 28 Cb 0.41 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 33.03 2eki s PRO 28 CO -0.07 -1.42 0.26 0.54 0.04 0.00 0.00 177.00 176.36 2eki s VAL 29 N -2.56 5.07 -0.60 -0.36 0.11 -0.87 -4.90 120.40 116.29 2eki s VAL 29 Ca 0.65 -0.65 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2eki s VAL 29 Cb -0.19 -3.79 0.03 0.00 -1.53 0.00 0.00 36.38 30.89 2eki s VAL 29 CO 0.47 -0.24 1.25 -0.69 -3.33 0.00 0.00 175.10 172.56 2eki s VAL 30 N 1.65 3.92 0.11 2.04 1.01 -1.26 -2.03 120.40 125.85 2eki s VAL 30 Ca 0.04 0.78 0.03 0.00 0.00 0.00 0.00 61.98 62.84 2eki s VAL 30 Cb -0.19 -4.71 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 2eki s VAL 30 CO 0.09 -1.40 0.12 -0.76 0.00 0.00 0.00 175.10 173.15 2eki s LEU 31 N 5.29 3.87 0.06 3.92 1.43 -0.46 -4.93 118.68 127.85 2eki s LEU 31 Ca 0.43 -0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.21 2eki s LEU 31 Cb -0.08 -2.52 -0.07 0.00 0.03 0.00 0.00 46.19 43.55 2eki s LEU 31 CO 0.24 0.13 1.40 -2.16 0.23 0.00 0.00 176.35 176.19 2eki s PRO 32 N -2.67 4.30 0.12 1.29 0.04 -1.26 -1.27 135.00 135.55 2eki s PRO 32 Ca 0.30 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.05 2eki s PRO 32 Cb -0.11 -3.43 -0.10 0.00 0.04 0.00 0.00 34.50 30.90 2eki s PRO 32 CO 0.23 -0.51 1.57 -0.92 0.04 0.00 0.00 177.00 177.41 2eki h TYR 33 N 7.38 -1.35 -1.11 0.56 5.03 -1.83 -0.73 116.97 124.92 2eki h TYR 33 Ca -0.40 0.04 0.39 0.00 2.58 0.00 0.00 58.73 61.34 2eki h TYR 33 Cb 1.20 0.59 -0.15 0.00 1.55 0.00 0.00 36.73 39.91 2eki h TYR 33 CO 0.71 -0.54 0.65 1.03 -1.32 0.00 0.00 178.16 178.70 2eki h SER 34 N -0.64 0.36 -4.02 -2.11 0.87 -1.91 -3.12 113.55 102.99 2eki h SER 34 Ca 0.03 0.20 -0.65 0.00 -1.23 0.00 0.00 61.79 60.14 2eki h SER 34 Cb 0.69 0.18 -0.41 0.00 -0.44 0.00 0.00 62.40 62.43 2eki h SER 34 CO -0.32 -0.26 -0.68 -0.13 -0.53 0.00 0.00 176.83 174.91 2eki s ARG 35 N -5.49 1.70 -0.11 2.24 1.81 -0.29 -5.06 118.95 113.76 2eki s ARG 35 Ca -0.09 -2.24 -0.03 0.00 -1.72 0.00 0.00 55.73 51.65 2eki s ARG 35 Cb 0.31 -3.19 0.04 0.00 -0.45 0.00 0.00 34.95 31.67 2eki s ARG 35 CO 0.80 -1.04 0.05 0.95 -0.68 0.00 0.00 175.30 175.38 2eki s THR 36 N 0.29 0.10 -0.11 0.02 -4.23 -1.18 -4.04 115.64 106.48 2eki s THR 36 Ca 0.14 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.40 2eki s THR 36 Cb -0.23 -0.48 0.10 0.00 1.34 0.00 0.00 72.50 73.23 2eki s THR 36 CO -0.04 0.01 0.86 0.42 -0.54 0.00 0.00 174.62 175.33 2eki s THR 37 N 2.07 0.00 0.37 3.99 -4.23 -1.26 -3.63 115.64 112.95 2eki s THR 37 Ca 0.03 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.74 2eki s THR 37 Cb -0.14 -1.00 0.36 0.00 1.34 0.00 0.00 72.50 73.06 2eki s THR 37 CO -0.06 0.00 1.63 0.58 -0.54 0.00 0.00 174.62 176.23 2eki h VAL 38 N 2.75 0.16 -0.15 2.29 2.07 -1.46 0.50 116.25 122.42 2eki h VAL 38 Ca -0.22 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 2eki h VAL 38 Cb 1.15 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2eki h VAL 38 CO 0.34 0.03 -0.25 1.05 0.02 0.00 0.00 177.57 178.77 2eki h GLU 39 N 0.17 0.43 -0.76 1.57 4.11 -1.82 -2.50 114.58 115.78 2eki h GLU 39 Ca 0.79 -0.27 0.18 0.00 0.07 0.00 0.00 59.36 60.13 2eki h GLU 39 Cb 2.02 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 31.25 2eki h GLU 39 CO -0.63 0.86 0.52 -0.44 0.07 0.00 0.00 179.01 179.38 2eki h ASP 40 N 0.05 0.27 0.05 3.06 5.19 -0.36 -1.19 116.42 123.49 2eki h ASP 40 Ca 0.01 0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.27 2eki h ASP 40 Cb 0.83 -0.03 0.02 0.00 0.18 0.00 0.00 39.33 40.32 2eki h ASP 40 CO 0.06 0.13 -0.71 0.15 -3.12 0.00 0.00 179.24 175.74 2eki h PHE 41 N 0.28 0.62 -0.12 4.55 3.04 -1.24 -3.20 116.94 120.87 2eki h PHE 41 Ca 0.38 -0.37 0.03 0.00 3.98 0.00 0.00 57.97 61.99 2eki h PHE 41 Cb 1.07 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.51 2eki h PHE 41 CO -0.00 1.22 0.39 0.00 -2.02 0.00 0.00 178.31 177.90 2eki h MET 43 N 0.00 0.60 -0.62 0.00 2.86 -1.48 -2.33 114.93 113.96 2eki h MET 43 Ca 0.06 -0.87 0.07 0.00 -2.06 0.00 0.00 59.70 56.90 2eki h MET 43 Cb 0.83 0.30 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 2eki h MET 43 CO -0.00 1.40 0.41 0.87 1.06 0.00 0.00 176.91 180.66 2eki h LYS 44 N 0.23 0.54 0.00 1.72 1.79 -0.73 -3.18 116.57 116.95 2eki h LYS 44 Ca -0.21 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2eki h LYS 44 Cb 2.00 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.52 2eki h LYS 44 CO 0.25 0.36 -0.06 0.82 -1.08 0.00 0.00 179.45 179.74 2eki h ILE 45 N 0.56 0.00 -2.12 1.86 1.08 -1.58 -3.47 117.51 113.84 2eki h ILE 45 Ca 0.28 -0.70 -0.13 0.00 -0.39 0.00 0.00 64.86 63.92 2eki h ILE 45 Cb 0.36 0.00 -0.29 0.00 -3.07 0.00 0.00 36.82 33.82 2eki h ILE 45 CO -0.08 0.00 -0.44 -2.28 -0.69 0.00 0.00 178.15 174.66 2eki s HIS 46 N -1.47 -0.82 0.63 1.37 2.46 -0.88 -5.00 115.29 111.58 2eki s HIS 46 Ca -0.02 1.09 0.23 0.00 0.47 0.00 0.00 55.06 56.82 2eki s HIS 46 Cb 0.00 0.12 1.10 0.00 -0.13 0.00 0.00 32.58 33.67 2eki s HIS 46 CO 0.03 -0.63 1.59 -0.22 -2.47 0.00 0.00 174.74 173.04 2eki h LYS 47 N 8.18 0.00 -0.76 2.88 3.64 -1.72 1.20 116.57 129.99 2eki h LYS 47 Ca -0.18 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.78 2eki h LYS 47 Cb 1.14 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.72 2eki h LYS 47 CO 0.22 0.00 0.37 0.09 -2.27 0.00 0.00 179.45 177.86 2eki n ASN 48 N -3.12 3.63 -0.11 4.20 5.03 -1.26 -4.43 115.26 119.21 2eki n ASN 48 Ca 0.07 -3.70 -0.17 0.00 0.87 0.00 0.00 54.58 51.65 2eki n ASN 48 Cb 0.83 -0.77 -0.13 0.00 -1.02 0.00 0.00 39.78 38.70 2eki n ASN 48 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2eki n LEU 49 N -1.11 2.49 0.20 3.41 7.94 0.41 -4.28 117.00 126.06 2eki n LEU 49 Ca 0.50 -0.07 0.18 0.00 -1.11 0.00 0.00 56.01 55.51 2eki n LEU 49 Cb 1.35 -0.71 0.83 0.00 0.53 0.00 0.00 43.42 45.42 2eki n LEU 49 CO 0.47 0.86 1.16 -0.29 -1.11 0.00 0.00 177.39 178.48 2eki h ILE 50 N 0.01 0.38 -0.00 1.96 6.09 -1.77 0.32 117.51 124.49 2eki h ILE 50 Ca -0.55 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 62.79 2eki h ILE 50 Cb 1.96 0.79 -0.02 0.00 0.47 0.00 0.00 36.82 40.02 2eki h ILE 50 CO -0.05 0.00 -0.68 0.11 -3.07 0.00 0.00 178.15 174.46 2eki h LYS 51 N 0.00 0.00 -0.01 2.19 1.57 -1.87 -3.11 116.57 115.35 2eki h LYS 51 Ca 0.10 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2eki h LYS 51 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2eki h LYS 51 CO -0.00 0.68 -0.71 0.39 -0.57 0.00 0.00 179.45 179.24 2eki n GLU 52 N -3.73 0.77 -2.00 3.15 -0.58 0.62 -4.95 120.64 113.92 2eki n GLU 52 Ca -0.01 -0.49 -0.42 0.00 -0.42 0.00 0.00 57.16 55.82 2eki n GLU 52 Cb 0.67 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 30.05 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 -2.67 2.99 -0.14 -0.32 2.19 0.81 -1.96 117.98 118.89 2eki s PHE 53 Ca 0.13 0.66 -0.10 0.00 0.33 0.00 0.00 56.93 57.95 2eki s PHE 53 Cb 0.16 -3.87 -0.06 0.00 -1.31 0.00 0.00 43.02 37.95 2eki s PHE 53 CO 0.69 -3.21 -0.23 1.17 1.83 0.00 0.00 175.22 175.47 2eki n LYS 54 N 4.28 0.37 -3.81 10.12 4.81 -0.75 -4.85 118.16 128.32 2eki n LYS 54 Ca 0.14 0.16 -0.08 0.00 -0.87 0.00 0.00 58.31 57.65 2eki n LYS 54 Cb 0.40 -1.13 -0.02 0.00 0.02 0.00 0.00 35.03 34.29 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 -2.44 -0.17 -0.01 5.64 -0.85 -1.26 -4.88 117.35 113.38 2eki s TYR 55 Ca -0.23 -0.24 0.03 0.00 -0.52 0.00 0.00 57.07 56.11 2eki s TYR 55 Cb 0.07 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 43.02 2eki s TYR 55 CO 0.31 -1.15 -0.10 0.00 -1.52 0.00 0.00 175.55 173.09 2eki s ALA 56 N -3.91 0.84 -0.69 9.51 0.00 -0.47 -2.99 121.76 124.05 2eki s ALA 56 Ca 0.11 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 2eki s ALA 56 Cb -0.05 -0.23 0.18 0.00 0.00 0.00 0.00 23.12 23.03 2eki s ALA 56 CO 0.04 0.19 0.58 -0.51 0.00 0.00 0.00 175.76 176.07 2eki s LEU 57 N -0.17 6.07 0.33 0.00 1.43 -1.23 -0.38 118.68 124.72 2eki s LEU 57 Ca 0.03 -2.59 -0.28 0.00 -1.03 0.00 0.00 54.13 50.26 2eki s LEU 57 Cb -0.05 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.02 2eki s LEU 57 CO -0.00 -0.54 1.14 -0.69 0.23 0.00 0.00 176.35 176.49 2eki s VAL 58 N 0.33 3.30 -0.22 -1.59 1.01 -1.01 -3.49 120.40 118.73 2eki s VAL 58 Ca 0.15 1.22 0.14 0.00 0.00 0.00 0.00 61.98 63.49 2eki s VAL 58 Cb -0.17 -3.74 0.46 0.00 0.00 0.00 0.00 36.38 32.92 2eki s VAL 58 CO -0.05 0.22 1.18 0.79 0.00 0.00 0.00 175.10 177.24 2eki n TRP 59 N 0.72 1.36 -3.79 5.22 8.01 -0.54 -3.03 117.44 125.39 2eki n TRP 59 Ca 0.01 -1.79 0.00 0.00 -1.31 0.00 0.00 57.50 54.41 2eki n TRP 59 Cb 0.45 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.48 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 -0.62 4.70 0.20 6.99 0.00 -1.26 -4.58 105.19 110.61 2eki n GLY 60 Ca 0.24 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 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 0.69 -1.74 0.99 4.07 -1.94 -3.20 115.31 114.18 2eki h LEU 61 Ca 0.00 -0.46 0.51 0.00 0.08 0.00 0.00 57.88 58.01 2eki h LEU 61 Cb 0.00 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 41.46 2eki h LEU 61 CO 0.00 1.22 1.25 -1.54 -1.08 0.00 0.00 178.44 178.29 2eki n SER 62 N -3.87 0.01 -4.43 -0.43 3.41 -1.26 -3.93 113.62 103.11 2eki n SER 62 Ca -0.06 0.89 -0.33 0.00 -0.26 0.00 0.00 58.87 59.11 2eki n SER 62 Cb 0.73 -0.45 -0.13 0.00 -0.26 0.00 0.00 64.21 64.10 2eki n SER 62 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2eki s VAL 63 N -4.65 3.36 0.10 -3.33 -7.23 -1.21 -5.03 120.40 102.41 2eki s VAL 63 Ca -0.04 -0.56 -0.26 0.00 -1.81 0.00 0.00 61.98 59.31 2eki s VAL 63 Cb 0.24 -2.43 -0.12 0.00 0.56 0.00 0.00 36.38 34.63 2eki s VAL 63 CO 0.79 0.52 1.68 0.11 -0.31 0.00 0.00 175.10 177.89 2eki h LYS 64 N 6.55 -0.31 -6.29 4.82 1.79 -1.86 -3.43 116.57 117.84 2eki h LYS 64 Ca -0.30 0.02 -0.66 0.00 -2.18 0.00 0.00 60.65 57.53 2eki h LYS 64 Cb 1.20 0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.78 2eki h LYS 64 CO 0.57 -0.21 -0.68 -1.01 -1.08 0.00 0.00 179.45 177.05 2eki s HIS 65 N -6.13 2.96 -0.01 -1.35 3.76 -1.26 -5.07 115.29 108.18 2eki s HIS 65 Ca -0.15 -0.01 -0.03 0.00 -0.15 0.00 0.00 55.06 54.72 2eki s HIS 65 Cb 0.07 -1.59 -0.00 0.00 1.11 0.00 0.00 32.58 32.17 2eki s HIS 65 CO 0.65 0.43 0.07 -0.80 -0.85 0.00 0.00 174.74 174.25 2eki s ASN 66 N -1.79 0.02 0.61 1.40 -0.87 -1.26 -3.73 114.94 109.33 2eki s ASN 66 Ca 0.21 -0.09 -0.17 0.00 -1.57 0.00 0.00 52.86 51.24 2eki s ASN 66 Cb -0.11 0.16 -0.02 0.00 -0.02 0.00 0.00 41.25 41.25 2eki s ASN 66 CO 0.12 -0.18 1.12 -2.16 -2.57 0.00 0.00 177.10 173.42 2eki s PRO 67 N -0.69 3.02 -0.06 -0.60 0.04 -1.26 -5.11 135.00 130.34 2eki s PRO 67 Ca -0.08 1.47 0.04 0.00 0.04 0.00 0.00 61.00 62.48 2eki s PRO 67 Cb -0.05 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2eki s PRO 67 CO 0.00 -1.09 -0.17 -1.14 0.04 0.00 0.00 177.00 174.64 2eki s GLN 68 N -3.78 1.96 -0.37 4.56 0.74 -1.17 -4.96 119.66 116.64 2eki s GLN 68 Ca 0.69 -0.61 -0.28 0.00 0.05 0.00 0.00 55.36 55.21 2eki s GLN 68 Cb -0.22 -1.64 0.02 0.00 1.10 0.00 0.00 33.01 32.27 2eki s GLN 68 CO 0.36 0.19 1.02 0.21 -0.55 0.00 0.00 175.29 176.52 2eki s LYS 69 N 0.21 3.91 0.38 1.67 2.20 -1.26 -2.41 119.74 124.45 2eki s LYS 69 Ca -0.08 0.78 0.08 0.00 -0.36 0.00 0.00 55.97 56.39 2eki s LYS 69 Cb -0.13 -3.79 -0.07 0.00 -1.51 0.00 0.00 37.83 32.33 2eki s LYS 69 CO 0.03 -1.00 0.00 0.14 -0.36 0.00 0.00 175.35 174.17 2eki s VAL 70 N 3.71 2.24 0.00 4.02 -7.23 0.49 -4.92 120.40 118.71 2eki s VAL 70 Ca 0.43 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2eki s VAL 70 Cb -0.11 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2eki s VAL 70 CO 0.19 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 2eki n GLY 71 N -0.95 3.60 0.07 2.32 0.00 -1.26 -1.36 105.19 107.61 2eki n GLY 71 Ca -0.04 -1.96 0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.94 -3.28 116.57 118.05 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 -0.33 -0.25 -2.09 0.00 0.00 179.45 176.78 2eki n ASP 73 N -2.16 0.83 -4.77 7.07 8.00 -1.26 -3.15 116.55 121.11 2eki n ASP 73 Ca 0.03 -0.66 -0.40 0.00 0.71 0.00 0.00 54.79 54.47 2eki n ASP 73 Cb 0.45 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 2eki n ASP 73 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2eki s HIS 74 N -2.67 3.25 0.10 1.24 5.65 -1.24 -4.90 115.29 116.71 2eki s HIS 74 Ca 0.20 1.52 -0.22 0.00 0.25 0.00 0.00 55.06 56.81 2eki s HIS 74 Cb 0.19 -3.53 -0.07 0.00 -1.18 0.00 0.00 32.58 27.99 2eki s HIS 74 CO 0.58 -1.36 0.66 0.99 -0.65 0.00 0.00 174.74 174.96 2eki s THR 75 N -1.15 4.62 0.31 0.89 2.01 -1.26 -1.65 115.64 119.41 2eki s THR 75 Ca 0.47 1.42 -0.03 0.00 0.31 0.00 0.00 61.69 63.86 2eki s THR 75 Cb -0.37 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2eki s THR 75 CO 0.48 0.52 0.55 -0.76 -0.69 0.00 0.00 174.62 174.73 2eki s LEU 76 N -0.98 4.03 0.44 4.42 1.43 -1.24 -4.86 118.68 121.91 2eki s LEU 76 Ca 0.32 0.62 0.04 0.00 -1.03 0.00 0.00 54.13 54.08 2eki s LEU 76 Cb -0.21 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 2eki s LEU 76 CO 0.22 -0.24 0.03 -1.61 0.23 0.00 0.00 176.35 174.98 2eki s GLU 77 N -3.84 2.01 0.29 1.70 2.02 -1.26 -4.82 118.70 114.80 2eki s GLU 77 Ca 0.42 -2.21 -0.27 0.00 0.02 0.00 0.00 54.97 52.93 2eki s GLU 77 Cb -0.10 -1.38 -0.10 0.00 0.10 0.00 0.00 34.13 32.65 2eki s GLU 77 CO 0.33 -0.24 0.95 0.16 0.02 0.00 0.00 175.26 176.47 2eki s ASP 78 N -3.74 7.44 -1.19 -0.19 1.47 -1.26 -3.98 116.67 115.23 2eki s ASP 78 Ca 0.22 1.89 -0.06 0.00 1.18 0.00 0.00 52.55 55.78 2eki s ASP 78 Cb 0.06 -2.59 -0.02 0.00 -0.34 0.00 0.00 42.92 40.03 2eki s ASP 78 CO 0.11 0.01 0.81 -0.62 0.68 0.00 0.00 175.17 176.16 2eki n GLU 79 N 0.89 -3.62 -4.20 2.11 1.02 -0.04 -4.89 120.64 111.92 2eki n GLU 79 Ca 0.01 0.68 -0.19 0.00 -0.02 0.00 0.00 57.16 57.63 2eki n GLU 79 Cb 0.49 -5.20 -0.12 0.00 -0.02 0.00 0.00 31.44 26.59 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 -3.92 1.79 -0.10 1.62 -1.08 -1.15 -4.89 116.67 108.94 2eki s ASP 80 Ca 0.22 -0.61 -0.03 0.00 -0.52 0.00 0.00 52.55 51.61 2eki s ASP 80 Cb -0.05 -0.07 -0.03 0.00 -1.46 0.00 0.00 42.92 41.31 2eki s ASP 80 CO 0.79 -0.05 0.01 -0.69 0.52 0.00 0.00 175.17 175.76 2eki s VAL 81 N -1.22 4.39 -0.01 1.11 1.01 -1.26 -0.22 120.40 124.20 2eki s VAL 81 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2eki s VAL 81 Cb -0.10 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2eki s VAL 81 CO 0.02 0.58 -0.03 -0.51 0.00 0.00 0.00 175.10 175.17 2eki s ILE 82 N -0.64 0.25 -0.42 2.22 2.07 -0.85 -1.47 121.20 122.36 2eki s ILE 82 Ca 0.10 -0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.18 2eki s ILE 82 Cb -0.12 -0.24 0.10 0.00 0.13 0.00 0.00 42.46 42.33 2eki s ILE 82 CO 0.02 0.09 0.25 -1.58 -1.91 0.00 0.00 174.94 171.81 2eki s GLN 83 N 0.16 2.37 -0.37 3.50 0.74 -1.23 -0.16 119.66 124.69 2eki s GLN 83 Ca -0.01 -1.64 -0.29 0.00 0.05 0.00 0.00 55.36 53.47 2eki s GLN 83 Cb -0.04 -3.72 0.01 0.00 1.10 0.00 0.00 33.01 30.36 2eki s GLN 83 CO -0.00 -1.03 1.35 0.42 -0.55 0.00 0.00 175.29 175.47 2eki s ILE 84 N 1.31 4.03 -0.01 -2.34 -1.09 -1.26 -3.53 121.20 118.31 2eki s ILE 84 Ca 0.05 1.10 -0.01 0.00 -2.23 0.00 0.00 60.65 59.56 2eki s ILE 84 Cb -0.24 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 2eki s ILE 84 CO -0.01 -0.65 0.09 0.68 -1.23 0.00 0.00 174.94 173.83 2eki s VAL 85 N 4.89 4.82 -0.11 2.92 -7.23 -1.16 -4.95 120.40 119.59 2eki s VAL 85 Ca 0.58 -0.37 -0.01 0.00 -1.81 0.00 0.00 61.98 60.38 2eki s VAL 85 Cb -0.15 -3.21 -0.03 0.00 0.56 0.00 0.00 36.38 33.56 2eki s VAL 85 CO 0.28 0.36 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.82 2eki s LYS 86 N -1.73 3.19 0.33 4.82 1.02 -1.26 -1.82 119.74 124.29 2eki s LYS 86 Ca 0.23 -0.57 0.19 0.00 0.02 0.00 0.00 55.97 55.84 2eki s LYS 86 Cb -0.12 -2.71 1.21 0.00 -0.52 0.00 0.00 37.83 35.69 2eki s LYS 86 CO 0.14 0.43 1.42 1.63 -0.92 0.00 0.00 175.35 178.05 2eki n LYS 87 N 2.93 -0.05 -4.41 1.68 4.01 -0.83 -4.72 118.16 116.76 2eki n LYS 87 Ca -0.18 1.24 -0.38 0.00 -0.51 0.00 0.00 58.31 58.48 2eki n LYS 87 Cb 0.53 -2.22 -0.08 0.00 -0.51 0.00 0.00 35.03 32.75 2eki n LYS 87 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2eki n SER 88 N -5.03 -1.10 0.00 4.39 7.64 -1.26 -4.80 113.62 113.47 2eki n SER 88 Ca 0.34 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 59.00 2eki n SER 88 Cb 1.15 -1.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2eki n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eki n GLY 89 N -1.60 0.20 3.56 0.23 0.00 -1.26 -4.98 105.19 101.33 2eki n GLY 89 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.14 2.59 0.95 1.61 0.04 -1.26 -4.97 135.00 133.82 2eki s PRO 90 Ca 0.00 0.14 -0.11 0.00 0.04 0.00 0.00 61.00 61.07 2eki s PRO 90 Cb 0.00 -4.74 0.16 0.00 0.04 0.00 0.00 34.50 29.96 2eki s PRO 90 CO 0.00 -3.07 1.12 0.45 0.04 0.00 0.00 177.00 175.54 2eki s SER 91 N 8.07 2.68 -0.09 6.66 0.15 -1.26 -5.05 113.70 124.86 2eki s SER 91 Ca 0.69 2.05 -0.23 0.00 0.70 0.00 0.00 55.95 59.16 2eki s SER 91 Cb -0.09 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 61.75 2eki s SER 91 CO 0.09 -3.23 0.54 -0.94 1.20 0.00 0.00 173.24 170.91 2eki s SER 92 N -2.69 -0.51 0.00 5.45 1.04 -1.26 -5.24 113.70 110.49 2eki s SER 92 Ca 0.67 0.68 0.29 0.00 0.48 0.00 0.00 55.95 58.07 2eki s SER 92 Cb -0.23 0.67 1.33 0.00 0.10 0.00 0.00 66.02 67.89 2eki s SER 92 CO 0.59 -0.44 1.90 0.61 0.98 0.00 0.00 173.24 176.88