#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ke5 s ALA 13 N 0.00 3.48 -0.42 -1.18 0.00 -1.26 -4.84 121.76 117.54 2ke5 s ALA 13 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 2ke5 s ALA 13 Cb 0.00 -2.82 0.09 0.00 0.00 0.00 0.00 23.12 20.39 2ke5 s ALA 13 CO 0.00 0.34 0.24 -1.17 0.00 0.00 0.00 175.76 175.17 2ke5 s LEU 14 N -1.34 5.17 0.01 0.00 1.98 -1.26 -1.24 118.68 122.00 2ke5 s LEU 14 Ca 0.35 -1.67 0.00 0.00 -2.89 0.00 0.00 54.13 49.93 2ke5 s LEU 14 Cb -0.20 -1.94 -0.04 0.00 0.66 0.00 0.00 46.19 44.67 2ke5 s LEU 14 CO 0.23 -0.55 0.08 -1.00 -1.89 0.00 0.00 176.35 173.23 2ke5 s HIS 15 N 1.34 3.28 -0.10 5.38 3.76 -0.93 -5.02 115.29 123.00 2ke5 s HIS 15 Ca 0.04 0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 2ke5 s HIS 15 Cb -0.23 -1.72 0.01 0.00 1.11 0.00 0.00 32.58 31.74 2ke5 s HIS 15 CO 0.00 0.55 -0.21 0.15 -0.85 0.00 0.00 174.74 174.38 2ke5 s LYS 16 N -1.84 2.71 -0.05 1.40 1.02 -1.26 -1.08 119.74 120.63 2ke5 s LYS 16 Ca 0.24 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.52 2ke5 s LYS 16 Cb -0.12 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.06 2ke5 s LYS 16 CO 0.15 0.10 -0.21 0.54 -0.92 0.00 0.00 175.35 175.02 2ke5 s VAL 17 N 0.53 2.45 -0.14 3.17 0.11 -0.38 -0.68 120.40 125.46 2ke5 s VAL 17 Ca -0.15 -0.94 -0.05 0.00 -2.93 0.00 0.00 61.98 57.91 2ke5 s VAL 17 Cb -0.17 -1.92 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2ke5 s VAL 17 CO 0.06 0.57 0.01 -0.63 -3.33 0.00 0.00 175.10 171.78 2ke5 s ILE 18 N -0.38 4.37 -0.95 7.04 -1.09 -0.57 -2.10 121.20 127.51 2ke5 s ILE 18 Ca 0.03 -0.20 -0.20 0.00 -2.23 0.00 0.00 60.65 58.05 2ke5 s ILE 18 Cb -0.12 -2.91 0.10 0.00 -1.58 0.00 0.00 42.46 37.94 2ke5 s ILE 18 CO 0.02 0.52 1.24 -0.32 -1.23 0.00 0.00 174.94 175.16 2ke5 s MET 19 N -0.01 3.58 0.14 2.79 1.75 -0.90 -1.57 119.30 125.08 2ke5 s MET 19 Ca 0.04 -1.50 0.02 0.00 -1.25 0.00 0.00 55.69 53.00 2ke5 s MET 19 Cb -0.13 -5.05 -0.04 0.00 2.84 0.00 0.00 34.83 32.46 2ke5 s MET 19 CO 0.02 -1.93 0.25 0.54 -0.65 0.00 0.00 175.02 173.24 2ke5 s VAL 20 N 3.55 5.19 0.00 10.11 0.11 -0.75 -4.04 120.40 134.57 2ke5 s VAL 20 Ca 0.37 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 2ke5 s VAL 20 Cb -0.03 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2ke5 s VAL 20 CO -0.09 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.24 2ke5 n GLY 21 N -0.37 0.90 0.43 6.54 0.00 -1.26 -1.79 105.19 109.64 2ke5 n GLY 21 Ca -0.07 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 2ke5 n GLY 21 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ke5 h SER 22 N 0.00 -0.96 0.00 1.61 0.87 -1.75 -3.41 113.55 109.91 2ke5 h SER 22 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2ke5 h SER 22 Cb 0.00 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2ke5 h SER 22 CO 0.00 -0.64 0.00 0.61 -0.53 0.00 0.00 176.83 176.27 2ke5 n GLY 23 N -1.53 1.08 2.72 5.77 0.00 -1.26 -4.71 105.19 107.26 2ke5 n GLY 23 Ca -0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 2ke5 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ke5 n GLY 24 N 0.00 1.60 0.03 -0.02 0.00 -1.26 -4.25 105.19 101.29 2ke5 n GLY 24 Ca 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 2ke5 n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ke5 n VAL 25 N -0.26 0.55 0.00 1.61 0.31 -1.26 -5.02 118.33 114.26 2ke5 n VAL 25 Ca 0.08 0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 2ke5 n VAL 25 Cb 0.81 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 2ke5 n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ke5 n GLY 26 N 1.68 0.00 0.25 2.92 0.00 -1.26 -4.99 105.19 103.79 2ke5 n GLY 26 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 2ke5 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ke5 h LYS 27 N 0.00 0.11 0.00 1.61 1.57 -1.92 0.27 116.57 118.21 2ke5 h LYS 27 Ca 0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2ke5 h LYS 27 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2ke5 h LYS 27 CO 0.00 0.07 -0.29 0.66 -0.57 0.00 0.00 179.45 179.32 2ke5 h SER 28 N 0.11 0.00 0.29 0.86 4.64 -1.94 -2.64 113.55 114.87 2ke5 h SER 28 Ca 0.35 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 2ke5 h SER 28 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2ke5 h SER 28 CO -0.57 0.29 -0.14 0.00 -0.87 0.00 0.00 176.83 175.54 2ke5 h ALA 29 N 1.71 -0.39 0.00 5.18 0.00 -0.88 0.15 119.26 125.03 2ke5 h ALA 29 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2ke5 h ALA 29 Cb 0.53 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ke5 h ALA 29 CO 0.04 -0.64 -0.03 -0.07 0.00 0.00 0.00 179.25 178.55 2ke5 h LEU 30 N -0.55 0.00 -0.14 0.00 -0.00 -1.35 -1.63 115.31 111.64 2ke5 h LEU 30 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.73 2ke5 h LEU 30 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2ke5 h LEU 30 CO 0.07 0.03 -0.35 0.74 -0.00 0.00 0.00 178.44 178.93 2ke5 h THR 31 N 0.00 1.36 -0.26 0.22 2.02 -0.92 -3.06 112.91 112.27 2ke5 h THR 31 Ca -0.00 -1.62 -0.12 0.00 0.77 0.00 0.00 66.41 65.43 2ke5 h THR 31 Cb 0.08 2.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2ke5 h THR 31 CO 0.00 0.49 -0.33 -0.07 0.37 0.00 0.00 175.52 175.98 2ke5 h LEU 32 N 0.10 0.73 -1.06 2.58 3.38 0.01 -2.88 115.31 118.17 2ke5 h LEU 32 Ca -0.00 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 57.56 2ke5 h LEU 32 Cb 0.95 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 2ke5 h LEU 32 CO 0.08 1.08 0.63 1.56 0.09 0.00 0.00 178.44 181.87 2ke5 h GLN 33 N 0.39 1.01 0.00 1.13 1.08 -1.41 0.25 115.11 117.55 2ke5 h GLN 33 Ca 0.03 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 2ke5 h GLN 33 Cb 0.91 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2ke5 h GLN 33 CO 0.08 0.67 -0.35 0.35 -0.95 0.00 0.00 178.83 178.62 2ke5 h PHE 34 N 1.04 0.00 0.01 2.96 3.57 -1.50 0.36 116.94 123.38 2ke5 h PHE 34 Ca 0.45 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.90 2ke5 h PHE 34 Cb 0.35 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2ke5 h PHE 34 CO -0.00 0.35 -0.30 1.98 -2.23 0.00 0.00 178.31 178.11 2ke5 h MET 35 N 0.00 0.02 -0.00 1.11 4.05 -0.80 -3.41 114.93 115.90 2ke5 h MET 35 Ca -0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2ke5 h MET 35 Cb 0.91 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.72 2ke5 h MET 35 CO 0.05 1.02 -0.01 0.66 0.23 0.00 0.00 176.91 178.85 2ke5 n TYR 36 N -4.54 0.00 -2.37 1.39 4.01 -0.24 -5.00 117.16 110.42 2ke5 n TYR 36 Ca -0.15 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.40 2ke5 n TYR 36 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.56 2ke5 n TYR 36 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2ke5 n ASP 37 N -0.28 -5.65 -3.87 7.72 8.00 0.13 -4.97 116.55 117.63 2ke5 n ASP 37 Ca 0.00 0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.42 2ke5 n ASP 37 Cb 0.02 -4.72 -0.14 0.00 -0.02 0.00 0.00 41.12 36.26 2ke5 n ASP 37 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ke5 s GLU 38 N -4.98 0.04 -0.49 -1.24 2.56 -1.26 -4.94 118.70 108.39 2ke5 s GLU 38 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 54.97 54.74 2ke5 s GLU 38 Cb 0.00 0.02 0.04 0.00 2.00 0.00 0.00 34.13 36.19 2ke5 s GLU 38 CO 0.00 -0.01 0.71 0.12 -0.56 0.00 0.00 175.26 175.52 2ke5 s PHE 39 N -0.09 2.99 -0.02 5.30 5.36 -1.26 -4.42 117.98 125.84 2ke5 s PHE 39 Ca -0.01 -0.23 0.05 0.00 -0.96 0.00 0.00 56.93 55.78 2ke5 s PHE 39 Cb -0.01 -3.60 -0.03 0.00 -0.34 0.00 0.00 43.02 39.05 2ke5 s PHE 39 CO -0.00 -1.05 -0.14 0.08 -1.46 0.00 0.00 175.22 172.65 2ke5 s VAL 40 N 3.02 3.06 0.25 3.12 1.01 -1.26 -5.02 120.40 124.57 2ke5 s VAL 40 Ca 0.22 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2ke5 s VAL 40 Cb -0.16 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.02 2ke5 s VAL 40 CO 0.16 0.49 1.66 -0.33 0.00 0.00 0.00 175.10 177.08 2ke5 h GLU 41 N 4.99 0.51 -7.13 2.72 5.08 -2.06 -3.44 114.58 115.25 2ke5 h GLU 41 Ca -0.47 -0.22 -0.55 0.00 -1.00 0.00 0.00 59.36 57.12 2ke5 h GLU 41 Cb 1.15 -0.01 0.16 0.00 0.50 0.00 0.00 28.75 30.55 2ke5 h GLU 41 CO 0.50 0.77 0.47 -0.51 -1.00 0.00 0.00 179.01 179.24 2ke5 s ASP 42 N -6.83 4.47 0.34 1.42 1.01 -1.26 -5.03 116.67 110.80 2ke5 s ASP 42 Ca -0.07 2.53 -0.14 0.00 0.71 0.00 0.00 52.55 55.58 2ke5 s ASP 42 Cb 0.13 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.48 2ke5 s ASP 42 CO 0.80 -2.09 0.68 -0.72 0.21 0.00 0.00 175.17 174.06 2ke5 s TYR 43 N -1.60 0.28 -0.19 4.23 1.13 -1.26 -5.16 117.35 114.78 2ke5 s TYR 43 Ca 0.80 -0.80 -0.12 0.00 -1.41 0.00 0.00 57.07 55.54 2ke5 s TYR 43 Cb -0.34 0.56 0.06 0.00 -1.10 0.00 0.00 41.96 41.14 2ke5 s TYR 43 CO 0.41 -1.37 0.47 -2.00 -2.51 0.00 0.00 175.55 170.56 2ke5 s GLU 44 N -2.92 0.48 0.68 -3.49 2.12 -1.26 -5.16 118.70 109.15 2ke5 s GLU 44 Ca 0.18 0.83 -0.16 0.00 0.36 0.00 0.00 54.97 56.19 2ke5 s GLU 44 Cb -0.04 0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.43 2ke5 s GLU 44 CO 0.12 -0.14 1.17 -2.14 -0.54 0.00 0.00 175.26 173.74 2ke5 s PRO 45 N 1.19 2.52 -0.04 4.30 0.02 -1.26 -5.05 135.00 136.68 2ke5 s PRO 45 Ca -0.08 1.64 0.05 0.00 0.02 0.00 0.00 61.00 62.64 2ke5 s PRO 45 Cb -0.07 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 2ke5 s PRO 45 CO -0.11 -1.51 -0.19 0.99 -0.33 0.00 0.00 177.00 175.84 2ke5 s THR 46 N -2.04 1.59 0.00 0.99 2.01 -1.26 -5.00 115.64 111.93 2ke5 s THR 46 Ca 0.72 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2ke5 s THR 46 Cb -0.26 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 70.90 2ke5 s THR 46 CO 0.41 0.45 0.00 2.29 -0.69 0.00 0.00 174.62 177.09 2ke5 n LYS 47 N 2.94 2.37 0.00 4.92 2.85 -1.26 -4.74 118.16 125.23 2ke5 n LYS 47 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 2ke5 n LYS 47 Cb 0.53 -0.79 0.00 0.00 -0.65 0.00 0.00 35.03 34.12 2ke5 n LYS 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ke5 n ALA 48 N -1.24 0.00 -1.95 0.58 0.00 -1.26 -5.13 120.51 111.51 2ke5 n ALA 48 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2ke5 n ALA 48 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 2ke5 n ALA 48 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2ke5 s ASP 49 N 0.00 7.55 0.32 0.00 -4.77 -1.26 -5.06 116.67 113.46 2ke5 s ASP 49 Ca 0.00 1.92 0.03 0.00 -3.30 0.00 0.00 52.55 51.20 2ke5 s ASP 49 Cb 0.00 -2.60 -0.06 0.00 -1.09 0.00 0.00 42.92 39.17 2ke5 s ASP 49 CO 0.00 0.04 0.07 -0.94 0.70 0.00 0.00 175.17 175.04 2ke5 s SER 50 N -0.68 2.23 0.11 2.11 1.04 -1.26 -4.81 113.70 112.44 2ke5 s SER 50 Ca 0.44 -1.39 0.05 0.00 0.48 0.00 0.00 55.95 55.53 2ke5 s SER 50 Cb -0.26 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 2ke5 s SER 50 CO 0.32 -0.64 0.00 -0.31 0.98 0.00 0.00 173.24 173.59 2ke5 s TYR 51 N -3.35 2.97 -0.01 5.02 2.02 -1.11 -4.99 117.35 117.89 2ke5 s TYR 51 Ca 0.36 -0.05 -0.00 0.00 -0.37 0.00 0.00 57.07 57.01 2ke5 s TYR 51 Cb 0.08 -1.51 0.02 0.00 -0.40 0.00 0.00 41.96 40.15 2ke5 s TYR 51 CO 0.15 0.48 0.02 1.03 -1.57 0.00 0.00 175.55 175.67 2ke5 s ARG 52 N -2.43 -0.02 0.15 -0.62 0.52 -1.26 -2.87 118.95 112.41 2ke5 s ARG 52 Ca 0.26 0.11 -0.14 0.00 -0.52 0.00 0.00 55.73 55.44 2ke5 s ARG 52 Cb -0.11 -0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.24 2ke5 s ARG 52 CO 0.18 -0.09 0.39 -1.59 0.02 0.00 0.00 175.30 174.21 2ke5 s LYS 53 N 0.60 1.15 -0.16 3.54 -2.85 -1.20 -5.01 119.74 115.81 2ke5 s LYS 53 Ca -0.05 -0.86 -0.03 0.00 -1.00 0.00 0.00 55.97 54.02 2ke5 s LYS 53 Cb -0.07 0.45 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2ke5 s LYS 53 CO -0.02 -0.45 -0.04 0.15 0.10 0.00 0.00 175.35 175.09 2ke5 s LYS 54 N -3.86 3.64 0.01 1.78 1.02 -1.26 -2.36 119.74 118.71 2ke5 s LYS 54 Ca 0.08 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.53 2ke5 s LYS 54 Cb 0.02 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 2ke5 s LYS 54 CO -0.07 0.22 -0.02 0.14 -0.92 0.00 0.00 175.35 174.70 2ke5 s VAL 55 N 0.42 0.10 0.09 3.17 -7.23 -1.12 -4.99 120.40 110.84 2ke5 s VAL 55 Ca -0.04 -0.46 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 2ke5 s VAL 55 Cb -0.14 -0.17 -0.06 0.00 0.56 0.00 0.00 36.38 36.57 2ke5 s VAL 55 CO 0.03 -0.23 0.49 0.54 -0.31 0.00 0.00 175.10 175.62 2ke5 s VAL 56 N -0.71 4.93 -0.18 1.32 0.11 -1.26 -1.75 120.40 122.87 2ke5 s VAL 56 Ca -0.07 0.78 -0.04 0.00 -2.93 0.00 0.00 61.98 59.72 2ke5 s VAL 56 Cb -0.05 -3.73 0.09 0.00 -1.53 0.00 0.00 36.38 31.16 2ke5 s VAL 56 CO -0.00 0.35 0.25 -0.22 -3.33 0.00 0.00 175.10 172.15 2ke5 s LEU 57 N -1.68 -0.23 -1.55 2.54 2.96 -0.11 -4.87 118.68 115.74 2ke5 s LEU 57 Ca 0.33 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.36 2ke5 s LEU 57 Cb -0.16 0.57 0.00 0.00 0.50 0.00 0.00 46.19 47.10 2ke5 s LEU 57 CO 0.18 -0.29 0.12 0.47 -1.32 0.00 0.00 176.35 175.50 2ke5 n ASP 58 N 5.34 -5.36 -0.28 3.68 8.00 -1.26 -1.89 116.55 124.78 2ke5 n ASP 58 Ca -0.05 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2ke5 n ASP 58 Cb 0.50 -4.45 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 2ke5 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ke5 n GLY 59 N -1.05 0.81 3.09 0.44 0.00 -1.26 -5.06 105.19 102.16 2ke5 n GLY 59 Ca -0.19 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 2ke5 n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ke5 s GLU 60 N -4.15 0.35 -0.15 1.61 2.12 -0.79 -5.14 118.70 112.55 2ke5 s GLU 60 Ca 0.00 0.80 -0.25 0.00 0.36 0.00 0.00 54.97 55.88 2ke5 s GLU 60 Cb 0.00 -0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.33 2ke5 s GLU 60 CO 0.00 -0.45 0.82 -2.00 -0.54 0.00 0.00 175.26 173.09 2ke5 s GLU 61 N 2.59 4.33 0.05 4.30 2.12 -1.26 -0.93 118.70 129.90 2ke5 s GLU 61 Ca 0.06 1.02 0.03 0.00 0.36 0.00 0.00 54.97 56.44 2ke5 s GLU 61 Cb -0.14 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 2ke5 s GLU 61 CO -0.15 -0.26 -0.09 0.14 -0.54 0.00 0.00 175.26 174.36 2ke5 s VAL 62 N 1.91 0.67 -0.17 3.70 -7.23 -0.72 -4.29 120.40 114.28 2ke5 s VAL 62 Ca 0.39 -1.10 -0.20 0.00 -1.81 0.00 0.00 61.98 59.26 2ke5 s VAL 62 Cb -0.17 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 2ke5 s VAL 62 CO 0.14 -0.33 0.57 -1.10 -0.31 0.00 0.00 175.10 174.08 2ke5 s GLN 63 N -1.56 4.24 -0.12 4.82 -0.21 -0.37 -2.80 119.66 123.65 2ke5 s GLN 63 Ca -0.08 0.54 -0.04 0.00 0.02 0.00 0.00 55.36 55.81 2ke5 s GLN 63 Cb -0.10 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.34 2ke5 s GLN 63 CO 0.01 -0.12 0.01 -1.50 -2.12 0.00 0.00 175.29 171.57 2ke5 s ILE 64 N 1.52 4.35 -0.24 1.08 2.07 -0.99 -2.18 121.20 126.81 2ke5 s ILE 64 Ca 0.27 -0.22 -0.00 0.00 -1.41 0.00 0.00 60.65 59.30 2ke5 s ILE 64 Cb -0.16 -2.87 0.03 0.00 0.13 0.00 0.00 42.46 39.59 2ke5 s ILE 64 CO 0.11 0.55 -0.10 -0.62 -1.91 0.00 0.00 174.94 172.97 2ke5 s ASP 65 N -0.36 4.08 -0.14 4.50 -1.08 -0.24 -3.24 116.67 120.19 2ke5 s ASP 65 Ca 0.07 -0.92 -0.08 0.00 -0.52 0.00 0.00 52.55 51.10 2ke5 s ASP 65 Cb -0.12 -1.60 -0.04 0.00 -1.46 0.00 0.00 42.92 39.69 2ke5 s ASP 65 CO 0.02 -0.11 0.15 -0.63 0.52 0.00 0.00 175.17 175.12 2ke5 s ILE 66 N 1.28 5.46 -0.32 4.11 1.01 -1.14 -1.25 121.20 130.34 2ke5 s ILE 66 Ca -0.00 0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.90 2ke5 s ILE 66 Cb -0.16 -3.44 0.10 0.00 0.01 0.00 0.00 42.46 38.97 2ke5 s ILE 66 CO -0.06 0.56 0.07 -0.22 0.00 0.00 0.00 174.94 175.28 2ke5 s LEU 67 N -0.57 3.68 -0.13 2.97 1.98 -0.89 -2.76 118.68 122.95 2ke5 s LEU 67 Ca 0.13 -1.92 -0.27 0.00 -2.89 0.00 0.00 54.13 49.19 2ke5 s LEU 67 Cb -0.12 -1.31 -0.02 0.00 0.66 0.00 0.00 46.19 45.41 2ke5 s LEU 67 CO 0.03 -0.39 0.90 1.51 -1.89 0.00 0.00 176.35 176.50 2ke5 s ASP 68 N 1.20 7.09 0.49 3.68 -4.77 -1.26 -2.11 116.67 120.99 2ke5 s ASP 68 Ca 0.10 1.33 0.04 0.00 -3.30 0.00 0.00 52.55 50.72 2ke5 s ASP 68 Cb -0.18 -2.50 0.02 0.00 -1.09 0.00 0.00 42.92 39.17 2ke5 s ASP 68 CO -0.15 -0.40 0.69 0.42 0.70 0.00 0.00 175.17 176.43 2ke5 s THR 69 N 1.98 2.97 0.00 2.11 -4.23 -1.26 -4.65 115.64 112.57 2ke5 s THR 69 Ca 0.43 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 2ke5 s THR 69 Cb -0.17 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2ke5 s THR 69 CO 0.15 -0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.19 2ke5 n ALA 70 N -2.13 0.00 -1.63 3.99 0.00 -1.26 -4.68 120.51 114.80 2ke5 n ALA 70 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 2ke5 n ALA 70 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 2ke5 n ALA 70 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ke5 s GLY 71 N -0.33 -0.67 0.00 0.00 0.00 -1.26 -4.73 107.32 100.33 2ke5 s GLY 71 Ca 0.00 -0.82 0.17 0.00 0.00 0.00 0.00 44.72 44.08 2ke5 s GLY 71 CO 0.00 4.13 1.55 1.04 0.00 0.00 0.00 173.10 179.82 2ke5 n LEU 72 N 17.87 0.00 0.28 0.66 4.77 -1.26 -3.54 117.00 135.78 2ke5 n LEU 72 Ca 0.45 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.57 2ke5 n LEU 72 Cb 0.45 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.41 2ke5 n LEU 72 CO 0.56 0.00 1.12 -0.08 -1.33 0.00 0.00 177.39 177.67 2ke5 h GLU 73 N 0.00 0.00 0.00 3.23 4.81 -1.97 -0.83 114.58 119.82 2ke5 h GLU 73 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2ke5 h GLU 73 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2ke5 h GLU 73 CO 0.00 0.00 -0.18 0.22 -0.73 0.00 0.00 179.01 178.32 2ke5 h ASP 74 N 0.00 0.00 -2.87 1.04 1.82 -1.98 -3.43 116.42 111.00 2ke5 h ASP 74 Ca 0.01 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.09 2ke5 h ASP 74 Cb 0.05 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.03 2ke5 h ASP 74 CO -0.00 0.18 -0.37 -0.31 -1.61 0.00 0.00 179.24 177.14 2ke5 s TYR 75 N -4.53 3.49 -0.09 0.28 1.51 -0.32 -5.04 117.35 112.64 2ke5 s TYR 75 Ca -0.04 0.34 -0.20 0.00 -1.01 0.00 0.00 57.07 56.17 2ke5 s TYR 75 Cb 0.15 -1.84 -0.16 0.00 -0.11 0.00 0.00 41.96 40.00 2ke5 s TYR 75 CO 0.68 0.43 0.66 0.00 -1.11 0.00 0.00 175.55 176.21 2ke5 h ALA 76 N 2.30 -0.08 0.00 3.71 0.00 -1.83 -3.44 119.26 119.92 2ke5 h ALA 76 Ca -0.47 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2ke5 h ALA 76 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ke5 h ALA 76 CO 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2ke5 n ALA 77 N -2.62 0.99 0.22 0.00 0.00 -1.26 -4.88 120.51 112.96 2ke5 n ALA 77 Ca -0.07 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.24 2ke5 n ALA 77 Cb 0.28 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.41 2ke5 n ALA 77 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ke5 h ILE 78 N 2.98 0.00 -0.80 0.00 1.08 -1.93 -2.42 117.51 116.43 2ke5 h ILE 78 Ca 0.00 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.70 2ke5 h ILE 78 Cb 1.00 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 2ke5 h ILE 78 CO 0.00 0.00 0.68 0.03 -0.69 0.00 0.00 178.15 178.17 2ke5 h ARG 79 N 0.00 0.00 -0.52 2.37 3.08 -1.90 0.67 114.38 118.07 2ke5 h ARG 79 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 2ke5 h ARG 79 Cb 0.23 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2ke5 h ARG 79 CO 0.00 0.00 0.36 0.38 -1.07 0.00 0.00 179.97 179.64 2ke5 h ASP 80 N 0.00 0.23 -0.44 7.04 3.04 -1.85 -2.01 116.42 122.43 2ke5 h ASP 80 Ca 0.38 0.01 0.02 0.00 -3.24 0.00 0.00 57.03 54.19 2ke5 h ASP 80 Cb 1.73 -0.04 -0.03 0.00 -1.04 0.00 0.00 39.33 39.95 2ke5 h ASP 80 CO -0.00 0.14 0.26 -1.13 -2.04 0.00 0.00 179.24 176.46 2ke5 h ASN 81 N 0.26 0.42 0.21 4.15 -1.24 -1.12 -0.13 115.58 118.12 2ke5 h ASN 81 Ca 0.24 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 2ke5 h ASN 81 Cb 0.62 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.58 2ke5 h ASN 81 CO -0.05 0.30 -0.10 1.88 -1.29 0.00 0.00 177.43 178.17 2ke5 h TYR 82 N 0.52 -0.26 -0.22 0.67 -1.99 -1.53 -2.47 116.97 111.70 2ke5 h TYR 82 Ca 0.18 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.87 2ke5 h TYR 82 Cb 0.01 0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 2ke5 h TYR 82 CO -0.07 -0.03 0.01 0.74 -0.00 0.00 0.00 178.16 178.80 2ke5 h PHE 83 N -0.44 0.32 0.00 4.88 0.04 -1.45 -1.00 116.94 119.28 2ke5 h PHE 83 Ca -0.03 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2ke5 h PHE 83 Cb 0.34 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.39 2ke5 h PHE 83 CO -0.02 0.33 0.00 0.54 -0.60 0.00 0.00 178.31 178.56 2ke5 n ARG 84 N -4.36 0.84 -0.29 1.51 1.74 -0.07 -2.89 116.66 113.14 2ke5 n ARG 84 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.19 2ke5 n ARG 84 Cb 0.19 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.39 2ke5 n ARG 84 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ke5 n SER 85 N -1.07 3.62 -3.78 0.55 2.88 -0.38 -4.98 113.62 110.45 2ke5 n SER 85 Ca 0.21 -1.99 -0.14 0.00 -1.33 0.00 0.00 58.87 55.63 2ke5 n SER 85 Cb 0.14 -0.39 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 2ke5 n SER 85 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ke5 s GLY 86 N -1.07 1.50 -0.04 0.46 0.00 -1.14 -4.99 107.32 102.04 2ke5 s GLY 86 Ca 0.41 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.56 2ke5 s GLY 86 CO 0.29 -1.21 0.03 1.18 0.00 0.00 0.00 173.10 173.39 2ke5 n GLU 87 N -0.43 2.94 -4.08 2.90 1.02 -1.11 -4.99 120.64 116.89 2ke5 n GLU 87 Ca 0.02 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.90 2ke5 n GLU 87 Cb 0.64 -1.12 -0.05 0.00 -0.02 0.00 0.00 31.44 30.89 2ke5 n GLU 87 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2ke5 s GLY 88 N -3.47 1.66 -0.03 0.62 0.00 0.15 -4.45 107.32 101.80 2ke5 s GLY 88 Ca -0.02 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.48 2ke5 s GLY 88 CO 0.19 -1.25 -0.05 -1.36 0.00 0.00 0.00 173.10 170.63 2ke5 s PHE 89 N -1.81 0.69 -0.31 1.90 0.40 -0.76 -1.52 117.98 116.58 2ke5 s PHE 89 Ca 0.31 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 2ke5 s PHE 89 Cb -0.10 -0.57 0.09 0.00 0.51 0.00 0.00 43.02 42.96 2ke5 s PHE 89 CO 0.24 -0.13 0.05 -1.17 0.70 0.00 0.00 175.22 174.91 2ke5 s LEU 90 N 0.54 3.27 -0.11 -0.37 0.20 -0.61 -2.78 118.68 118.82 2ke5 s LEU 90 Ca -0.07 -1.74 -0.26 0.00 0.69 0.00 0.00 54.13 52.74 2ke5 s LEU 90 Cb -0.11 -1.22 -0.02 0.00 -0.43 0.00 0.00 46.19 44.42 2ke5 s LEU 90 CO 0.00 -0.37 0.86 -0.22 -0.29 0.00 0.00 176.35 176.33 2ke5 s LEU 91 N 1.30 4.25 0.02 -0.68 2.96 -0.86 -1.80 118.68 123.87 2ke5 s LEU 91 Ca 0.07 1.31 0.05 0.00 -0.22 0.00 0.00 54.13 55.34 2ke5 s LEU 91 Cb -0.18 -3.31 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 2ke5 s LEU 91 CO -0.15 -0.32 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.73 2ke5 s VAL 92 N 1.64 1.07 0.08 1.68 1.01 -0.74 -1.83 120.40 123.31 2ke5 s VAL 92 Ca 0.42 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 2ke5 s VAL 92 Cb -0.18 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.29 2ke5 s VAL 92 CO 0.17 0.10 0.40 0.72 0.00 0.00 0.00 175.10 176.49 2ke5 s PHE 93 N -0.66 -0.22 0.11 5.22 -0.12 -1.02 -3.81 117.98 117.48 2ke5 s PHE 93 Ca 0.03 0.06 -0.04 0.00 -0.05 0.00 0.00 56.93 56.93 2ke5 s PHE 93 Cb -0.07 0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.49 2ke5 s PHE 93 CO 0.01 -0.62 0.33 -1.12 -0.05 0.00 0.00 175.22 173.76 2ke5 s SER 94 N -2.34 6.46 0.09 1.98 0.01 -1.26 -1.71 113.70 116.92 2ke5 s SER 94 Ca -0.02 0.51 -0.06 0.00 1.31 0.00 0.00 55.95 57.69 2ke5 s SER 94 Cb 0.00 -2.06 -0.23 0.00 0.21 0.00 0.00 66.02 63.95 2ke5 s SER 94 CO -0.06 0.10 1.18 0.16 0.41 0.00 0.00 173.24 175.02 2ke5 h ILE 95 N 2.12 1.43 0.00 1.44 3.07 -1.87 -3.15 117.51 120.55 2ke5 h ILE 95 Ca -0.46 -2.79 0.00 0.00 1.55 0.00 0.00 64.86 63.16 2ke5 h ILE 95 Cb 1.17 2.77 0.00 0.00 -0.27 0.00 0.00 36.82 40.49 2ke5 h ILE 95 CO 0.73 0.82 0.00 0.35 -1.05 0.00 0.00 178.15 179.00 2ke5 n THR 96 N -3.64 0.36 -3.79 0.16 -2.24 -1.26 -3.23 114.28 100.63 2ke5 n THR 96 Ca -0.09 0.09 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 2ke5 n THR 96 Cb 0.97 -0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 68.26 2ke5 n THR 96 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2ke5 s GLU 97 N -2.44 1.03 0.51 -0.78 2.02 -1.19 -4.95 118.70 112.90 2ke5 s GLU 97 Ca 0.20 -1.49 0.35 0.00 0.02 0.00 0.00 54.97 54.04 2ke5 s GLU 97 Cb 0.12 -2.36 1.77 0.00 0.10 0.00 0.00 34.13 33.76 2ke5 s GLU 97 CO 0.26 -1.02 2.05 1.25 0.02 0.00 0.00 175.26 177.82 2ke5 h HIS 98 N 7.65 0.00 0.00 1.61 -0.00 -1.78 -1.03 115.15 121.59 2ke5 h HIS 98 Ca -0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.19 2ke5 h HIS 98 Cb 0.99 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 2ke5 h HIS 98 CO 0.41 0.00 -0.44 0.93 -0.00 0.00 0.00 177.93 178.83 2ke5 h GLU 99 N 0.00 0.00 0.27 5.26 5.08 -1.93 -3.05 114.58 120.21 2ke5 h GLU 99 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ke5 h GLU 99 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2ke5 h GLU 99 CO 0.00 0.44 -0.13 0.77 -1.00 0.00 0.00 179.01 179.09 2ke5 h SER 100 N 0.00 -0.31 -0.50 1.42 0.02 -1.45 -0.69 113.55 112.04 2ke5 h SER 100 Ca -0.00 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2ke5 h SER 100 Cb 1.02 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 2ke5 h SER 100 CO 0.06 0.07 0.33 0.15 -1.14 0.00 0.00 176.83 176.30 2ke5 h PHE 101 N -0.74 0.61 0.14 3.45 3.57 -1.65 0.03 116.94 122.36 2ke5 h PHE 101 Ca -0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2ke5 h PHE 101 Cb 0.49 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2ke5 h PHE 101 CO 0.03 0.38 -0.07 1.79 -2.23 0.00 0.00 178.31 178.21 2ke5 h THR 102 N 0.65 0.98 -0.19 4.41 1.35 -1.51 -2.85 112.91 115.76 2ke5 h THR 102 Ca 0.18 -1.12 -0.03 0.00 -0.55 0.00 0.00 66.41 64.89 2ke5 h THR 102 Cb -0.05 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2ke5 h THR 102 CO -0.04 0.24 -0.01 0.00 -0.25 0.00 0.00 175.52 175.46 2ke5 h ALA 103 N -0.11 1.63 -0.03 6.62 0.00 -0.97 -1.49 119.26 124.91 2ke5 h ALA 103 Ca -0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2ke5 h ALA 103 Cb 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2ke5 h ALA 103 CO 0.03 0.27 -0.31 1.79 0.00 0.00 0.00 179.25 181.04 2ke5 h THR 104 N 0.27 1.23 0.12 0.00 1.35 -1.02 -3.19 112.91 111.67 2ke5 h THR 104 Ca 0.06 -1.11 0.02 0.00 -0.55 0.00 0.00 66.41 64.83 2ke5 h THR 104 Cb 0.21 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 2ke5 h THR 104 CO 0.01 0.32 -0.27 0.00 -0.25 0.00 0.00 175.52 175.33 2ke5 h ALA 105 N 1.64 -0.45 -0.67 6.62 0.00 -1.02 -2.15 119.26 123.23 2ke5 h ALA 105 Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2ke5 h ALA 105 Cb 0.57 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2ke5 h ALA 105 CO 0.04 -0.80 0.42 1.05 0.00 0.00 0.00 179.25 179.96 2ke5 h GLU 106 N -0.48 0.79 -0.60 0.00 4.11 -1.63 -1.48 114.58 115.30 2ke5 h GLU 106 Ca 0.03 -0.05 0.13 0.00 0.07 0.00 0.00 59.36 59.54 2ke5 h GLU 106 Cb 0.50 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2ke5 h GLU 106 CO -0.15 0.53 0.41 0.74 0.07 0.00 0.00 179.01 180.60 2ke5 h PHE 107 N 0.82 0.29 -0.48 2.06 -1.00 -1.49 -0.98 116.94 116.16 2ke5 h PHE 107 Ca 0.27 0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.09 2ke5 h PHE 107 Cb 0.02 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.45 2ke5 h PHE 107 CO -0.05 0.13 0.25 -0.09 -1.61 0.00 0.00 178.31 176.94 2ke5 h ARG 108 N 0.26 0.49 -0.12 1.51 1.12 -0.62 -1.91 114.38 115.11 2ke5 h ARG 108 Ca 0.29 -0.03 -0.13 0.00 -1.11 0.00 0.00 59.98 59.00 2ke5 h ARG 108 Cb 0.77 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.61 2ke5 h ARG 108 CO -0.06 0.32 -0.50 0.93 -3.11 0.00 0.00 179.97 177.55 2ke5 h GLU 109 N 0.50 0.31 0.00 0.20 5.08 -1.23 -2.92 114.58 116.53 2ke5 h GLU 109 Ca 0.20 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2ke5 h GLU 109 Cb 0.09 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2ke5 h GLU 109 CO -0.13 0.75 -0.08 1.96 -1.00 0.00 0.00 179.01 180.51 2ke5 h GLN 110 N 0.25 0.00 -0.38 2.33 4.20 -0.62 -2.55 115.11 118.35 2ke5 h GLN 110 Ca 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2ke5 h GLN 110 Cb 0.97 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 2ke5 h GLN 110 CO 0.08 0.08 0.11 0.82 -0.67 0.00 0.00 178.83 179.26 2ke5 h ILE 111 N 0.00 1.21 0.00 2.54 2.04 -1.19 -2.64 117.51 119.47 2ke5 h ILE 111 Ca -0.00 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 2ke5 h ILE 111 Cb 0.16 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2ke5 h ILE 111 CO 0.01 0.25 -0.19 -0.07 0.00 0.00 0.00 178.15 178.15 2ke5 h LEU 112 N 0.46 0.00 -0.47 1.44 3.38 -1.56 -2.18 115.31 116.38 2ke5 h LEU 112 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2ke5 h LEU 112 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2ke5 h LEU 112 CO -0.00 0.19 0.08 0.08 0.09 0.00 0.00 178.44 178.88 2ke5 h ARG 113 N 0.00 0.77 0.00 1.13 -0.00 -1.31 0.30 114.38 115.26 2ke5 h ARG 113 Ca -0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 59.98 59.78 2ke5 h ARG 113 Cb 0.50 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 30.38 2ke5 h ARG 113 CO 0.02 0.78 -0.30 1.33 -0.00 0.00 0.00 179.97 181.80 2ke5 n VAL 114 N -4.46 0.35 -2.12 0.08 0.24 -1.11 -3.81 118.33 107.51 2ke5 n VAL 114 Ca 0.01 -0.20 -0.05 0.00 -2.04 0.00 0.00 64.34 62.05 2ke5 n VAL 114 Cb 0.24 -0.30 0.09 0.00 -1.47 0.00 0.00 33.84 32.40 2ke5 n VAL 114 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ke5 n LYS 115 N -2.00 2.01 0.03 7.34 4.76 -0.84 -4.79 118.16 124.67 2ke5 n LYS 115 Ca 0.05 -3.40 0.06 0.00 -2.87 0.00 0.00 58.31 52.14 2ke5 n LYS 115 Cb 0.41 -1.56 0.26 0.00 -1.84 0.00 0.00 35.03 32.30 2ke5 n LYS 115 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ke5 n ALA 116 N -0.61 1.42 0.06 7.82 0.00 0.10 -1.62 120.51 127.67 2ke5 n ALA 116 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 2ke5 n ALA 116 Cb 0.88 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 2ke5 n ALA 116 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ke5 h GLU 117 N 0.00 0.00 -5.35 0.00 4.39 -1.86 -3.45 114.58 108.31 2ke5 h GLU 117 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 2ke5 h GLU 117 Cb 0.17 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.71 2ke5 h GLU 117 CO 0.00 0.46 -0.46 -1.21 -1.16 0.00 0.00 179.01 176.64 2ke5 s GLU 118 N -2.87 4.13 -0.07 2.33 2.02 -0.64 -5.02 118.70 118.58 2ke5 s GLU 118 Ca -0.01 -0.15 -0.05 0.00 0.02 0.00 0.00 54.97 54.78 2ke5 s GLU 118 Cb 0.08 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 2ke5 s GLU 118 CO 0.80 0.34 0.21 -0.44 0.02 0.00 0.00 175.26 176.18 2ke5 h ASP 119 N 6.50 -0.15 -2.03 -0.19 3.32 -1.87 -3.42 116.42 118.58 2ke5 h ASP 119 Ca -0.42 0.01 -0.52 0.00 0.02 0.00 0.00 57.03 56.11 2ke5 h ASP 119 Cb 1.16 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.68 2ke5 h ASP 119 CO 0.74 0.30 1.18 -0.54 -1.72 0.00 0.00 179.24 179.20 2ke5 s LYS 120 N -2.09 2.99 -0.46 3.56 3.01 -1.26 -4.96 119.74 120.53 2ke5 s LYS 120 Ca -0.03 -0.03 -0.14 0.00 -1.01 0.00 0.00 55.97 54.77 2ke5 s LYS 120 Cb 0.00 -4.40 0.08 0.00 -1.01 0.00 0.00 37.83 32.50 2ke5 s LYS 120 CO 0.08 -2.43 0.36 0.42 0.51 0.00 0.00 175.35 174.29 2ke5 s ILE 121 N 7.07 4.93 -0.08 2.17 -1.09 -1.26 -4.62 121.20 128.31 2ke5 s ILE 121 Ca 0.49 -1.21 -0.29 0.00 -2.23 0.00 0.00 60.65 57.41 2ke5 s ILE 121 Cb -0.09 -3.99 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 2ke5 s ILE 121 CO 0.14 -0.59 1.93 -2.16 -1.23 0.00 0.00 174.94 173.04 2ke5 s PRO 122 N 1.57 3.83 0.03 2.79 0.04 -1.26 -4.98 135.00 137.02 2ke5 s PRO 122 Ca 0.04 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2ke5 s PRO 122 Cb -0.24 -4.17 -0.02 0.00 0.04 0.00 0.00 34.50 30.10 2ke5 s PRO 122 CO 0.05 -1.30 -0.04 -1.17 0.04 0.00 0.00 177.00 174.58 2ke5 s LEU 123 N 5.53 2.29 -0.22 -3.56 2.96 -1.26 -1.83 118.68 122.60 2ke5 s LEU 123 Ca 0.87 -0.61 -0.07 0.00 -0.22 0.00 0.00 54.13 54.09 2ke5 s LEU 123 Cb -0.36 0.06 0.10 0.00 0.50 0.00 0.00 46.19 46.49 2ke5 s LEU 123 CO 0.36 -0.34 0.47 -0.22 -1.32 0.00 0.00 176.35 175.30 2ke5 s LEU 124 N -1.78 -0.75 -0.06 -0.68 2.96 -1.12 -4.79 118.68 112.48 2ke5 s LEU 124 Ca -0.10 1.11 -0.10 0.00 -0.22 0.00 0.00 54.13 54.82 2ke5 s LEU 124 Cb -0.07 1.54 -0.05 0.00 0.50 0.00 0.00 46.19 48.12 2ke5 s LEU 124 CO -0.02 -0.23 0.26 0.54 -1.32 0.00 0.00 176.35 175.57 2ke5 s VAL 125 N 2.67 5.31 -0.03 1.68 0.11 -1.26 -2.03 120.40 126.85 2ke5 s VAL 125 Ca -0.03 0.42 -0.09 0.00 -2.93 0.00 0.00 61.98 59.35 2ke5 s VAL 125 Cb -0.12 -3.54 0.01 0.00 -1.53 0.00 0.00 36.38 31.21 2ke5 s VAL 125 CO -0.14 0.56 0.21 -0.69 -3.33 0.00 0.00 175.10 171.71 2ke5 s VAL 126 N -1.09 0.05 -0.23 2.04 1.01 -0.76 -3.07 120.40 118.34 2ke5 s VAL 126 Ca 0.20 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 2ke5 s VAL 126 Cb -0.14 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.83 2ke5 s VAL 126 CO 0.09 -0.22 -0.10 -0.83 0.00 0.00 0.00 175.10 174.04 2ke5 s GLY 127 N -0.85 1.58 0.00 4.51 0.00 -0.80 -2.42 107.32 109.33 2ke5 s GLY 127 Ca -0.09 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.17 2ke5 s GLY 127 CO 0.02 0.48 0.00 1.16 0.00 0.00 0.00 173.10 174.76 2ke5 n ASN 128 N 4.61 0.00 -0.13 1.64 6.94 -0.70 -1.03 115.26 126.60 2ke5 n ASN 128 Ca -0.17 -0.60 -0.02 0.00 -0.02 0.00 0.00 54.58 53.77 2ke5 n ASN 128 Cb 0.47 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.88 2ke5 n ASN 128 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2ke5 n LYS 129 N -0.60 -1.15 0.11 -3.83 3.00 -1.22 -3.30 118.16 111.18 2ke5 n LYS 129 Ca 0.00 0.39 0.07 0.00 -0.00 0.00 0.00 58.31 58.77 2ke5 n LYS 129 Cb 0.00 -4.30 0.39 0.00 0.00 0.00 0.00 35.03 31.12 2ke5 n LYS 129 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2ke5 n SER 130 N -0.52 0.37 0.11 3.14 2.88 -0.97 -1.51 113.62 117.12 2ke5 n SER 130 Ca -0.02 0.65 0.07 0.00 -1.33 0.00 0.00 58.87 58.24 2ke5 n SER 130 Cb 0.31 -0.69 0.37 0.00 -0.75 0.00 0.00 64.21 63.45 2ke5 n SER 130 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2ke5 n ASP 131 N -2.00 0.35 -3.92 -3.46 -0.08 -1.26 -3.56 116.55 102.63 2ke5 n ASP 131 Ca -0.01 0.65 -0.29 0.00 -1.51 0.00 0.00 54.79 53.63 2ke5 n ASP 131 Cb 0.06 -0.69 -0.13 0.00 2.34 0.00 0.00 41.12 42.70 2ke5 n ASP 131 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2ke5 s LEU 132 N -3.94 4.38 0.29 -2.67 1.43 -0.57 -4.92 118.68 112.67 2ke5 s LEU 132 Ca -0.02 -3.28 0.12 0.00 -1.03 0.00 0.00 54.13 49.92 2ke5 s LEU 132 Cb 0.04 -1.60 0.40 0.00 0.03 0.00 0.00 46.19 45.06 2ke5 s LEU 132 CO 0.12 -0.18 1.62 -0.33 0.23 0.00 0.00 176.35 177.81 2ke5 h GLU 133 N 6.13 0.00 0.00 1.70 5.08 -1.84 -2.69 114.58 122.95 2ke5 h GLU 133 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2ke5 h GLU 133 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2ke5 h GLU 133 CO 0.69 0.58 -0.44 1.05 -1.00 0.00 0.00 179.01 179.88 2ke5 h GLU 134 N 0.00 0.00 -0.67 2.33 4.11 -1.93 -3.22 114.58 115.20 2ke5 h GLU 134 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2ke5 h GLU 134 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2ke5 h GLU 134 CO 0.08 0.30 0.00 0.54 0.07 0.00 0.00 179.01 180.00 2ke5 n ARG 135 N -3.13 3.16 -2.41 1.06 1.74 -1.15 -4.91 116.66 111.02 2ke5 n ARG 135 Ca 0.02 -2.73 -0.42 0.00 -0.77 0.00 0.00 57.85 53.95 2ke5 n ARG 135 Cb 0.67 -1.69 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 2ke5 n ARG 135 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2ke5 s ARG 136 N -1.38 3.49 0.05 5.56 3.52 -1.03 -4.34 118.95 124.82 2ke5 s ARG 136 Ca 0.48 0.67 0.05 0.00 -0.13 0.00 0.00 55.73 56.81 2ke5 s ARG 136 Cb 0.28 -4.05 -0.24 0.00 -1.56 0.00 0.00 34.95 29.39 2ke5 s ARG 136 CO 0.28 -1.69 1.00 1.96 -0.81 0.00 0.00 175.30 176.05 2ke5 h GLN 137 N 10.59 0.08 -4.67 5.12 1.08 -1.90 -3.43 115.11 121.99 2ke5 h GLN 137 Ca -0.26 -0.14 -0.71 0.00 -1.45 0.00 0.00 58.65 56.08 2ke5 h GLN 137 Cb 1.09 0.05 -0.20 0.00 -0.05 0.00 0.00 27.48 28.37 2ke5 h GLN 137 CO 1.13 0.92 -0.25 0.08 -0.95 0.00 0.00 178.83 179.76 2ke5 s VAL 138 N -2.65 5.13 0.27 -0.54 1.01 -1.25 -5.05 120.40 117.32 2ke5 s VAL 138 Ca -0.03 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 2ke5 s VAL 138 Cb 0.08 -4.07 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 2ke5 s VAL 138 CO 0.83 -0.48 1.63 -2.65 0.00 0.00 0.00 175.10 174.43 2ke5 n PRO 139 N 5.49 2.73 -0.21 2.72 -0.02 -1.26 -4.88 135.00 139.57 2ke5 n PRO 139 Ca -0.09 0.98 0.01 0.00 -2.02 0.00 0.00 63.50 62.38 2ke5 n PRO 139 Cb 0.46 -2.78 0.12 0.00 -0.02 0.00 0.00 33.50 31.28 2ke5 n PRO 139 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2ke5 h VAL 140 N 3.47 0.66 -0.32 -1.45 3.04 -1.97 -1.07 116.25 118.60 2ke5 h VAL 140 Ca -0.46 -0.10 0.05 0.00 -1.01 0.00 0.00 66.70 65.18 2ke5 h VAL 140 Cb 1.22 0.33 -0.05 0.00 -2.01 0.00 0.00 31.29 30.78 2ke5 h VAL 140 CO 0.84 0.06 0.03 -0.33 -1.01 0.00 0.00 177.57 177.16 2ke5 h GLU 141 N 0.31 0.13 -0.13 4.17 5.08 -2.00 -0.04 114.58 122.11 2ke5 h GLU 141 Ca 0.33 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2ke5 h GLU 141 Cb 0.48 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2ke5 h GLU 141 CO -0.39 0.09 -0.05 1.49 -1.00 0.00 0.00 179.01 179.15 2ke5 h GLU 142 N 0.14 0.18 -0.03 2.33 4.81 -1.72 -1.31 114.58 118.99 2ke5 h GLU 142 Ca 0.15 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 2ke5 h GLU 142 Cb 0.19 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2ke5 h GLU 142 CO -0.23 0.25 -0.67 0.00 -0.73 0.00 0.00 179.01 177.63 2ke5 h ALA 143 N 1.78 0.81 0.06 2.92 0.00 0.06 -2.90 119.26 121.99 2ke5 h ALA 143 Ca 0.04 -0.60 -0.28 0.00 0.00 0.00 0.00 54.91 54.08 2ke5 h ALA 143 Cb 0.21 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.93 2ke5 h ALA 143 CO 0.01 0.79 -1.14 0.00 0.00 0.00 0.00 179.25 178.91 2ke5 h ARG 144 N 0.11 0.62 -0.68 0.00 3.08 -0.32 -2.16 114.38 115.02 2ke5 h ARG 144 Ca -0.01 -0.75 -0.05 0.00 0.07 0.00 0.00 59.98 59.24 2ke5 h ARG 144 Cb 1.20 0.23 -0.03 0.00 0.08 0.00 0.00 29.97 31.45 2ke5 h ARG 144 CO 0.10 1.33 0.23 1.03 -1.07 0.00 0.00 179.97 181.58 2ke5 h SER 145 N 0.31 0.98 0.04 7.04 0.87 -1.29 0.03 113.55 121.53 2ke5 h SER 145 Ca -0.15 -0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.11 2ke5 h SER 145 Cb 1.80 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 63.52 2ke5 h SER 145 CO 0.22 0.92 -0.41 0.50 -0.53 0.00 0.00 176.83 177.53 2ke5 h LYS 146 N 0.99 0.21 -0.05 2.24 3.11 -1.60 -3.31 116.57 118.15 2ke5 h LYS 146 Ca 0.22 -0.28 -0.05 0.00 -2.81 0.00 0.00 60.65 57.74 2ke5 h LYS 146 Cb 0.28 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 2ke5 h LYS 146 CO -0.01 1.05 -0.18 0.00 -2.81 0.00 0.00 179.45 177.50 2ke5 h ALA 147 N 0.16 1.60 -0.22 5.00 0.00 -1.40 -2.30 119.26 122.11 2ke5 h ALA 147 Ca -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2ke5 h ALA 147 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2ke5 h ALA 147 CO 0.08 0.30 0.06 1.49 0.00 0.00 0.00 179.25 181.18 2ke5 h GLU 148 N 0.08 0.30 -0.97 0.00 4.81 -1.07 -2.15 114.58 115.58 2ke5 h GLU 148 Ca 0.02 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.38 2ke5 h GLU 148 Cb 0.38 -0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.61 2ke5 h GLU 148 CO 0.03 0.27 0.61 0.93 -0.73 0.00 0.00 179.01 180.12 2ke5 h GLU 149 N 0.30 0.72 0.00 1.92 5.08 -1.50 0.29 114.58 121.39 2ke5 h GLU 149 Ca 0.08 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2ke5 h GLU 149 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2ke5 h GLU 149 CO -0.01 0.47 -0.25 -1.49 -1.00 0.00 0.00 179.01 176.74 2ke5 h TRP 150 N 0.74 0.00 0.00 4.33 6.55 -1.53 -3.46 115.95 122.58 2ke5 h TRP 150 Ca 0.53 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.37 2ke5 h TRP 150 Cb 0.85 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.15 2ke5 h TRP 150 CO -0.00 0.25 0.00 0.41 -1.05 0.00 0.00 178.44 178.05 2ke5 n GLY 151 N -0.40 1.88 3.46 1.49 0.00 0.10 -5.12 105.19 106.60 2ke5 n GLY 151 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2ke5 n GLY 151 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ke5 s VAL 152 N -2.00 0.69 -0.14 1.61 -7.23 -1.25 -4.99 120.40 107.10 2ke5 s VAL 152 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2ke5 s VAL 152 Cb 0.00 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 2ke5 s VAL 152 CO 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 174.64 2ke5 s GLN 153 N -3.78 3.29 0.01 4.82 -2.07 -1.26 -3.95 119.66 116.72 2ke5 s GLN 153 Ca 0.29 -0.73 -0.10 0.00 -1.82 0.00 0.00 55.36 53.00 2ke5 s GLN 153 Cb 0.05 -2.60 -0.05 0.00 -1.09 0.00 0.00 33.01 29.32 2ke5 s GLN 153 CO 0.15 0.14 0.33 -0.47 -1.32 0.00 0.00 175.29 174.12 2ke5 s TYR 154 N 0.52 3.62 0.02 9.60 5.04 -1.26 -4.02 117.35 130.87 2ke5 s TYR 154 Ca -0.10 0.75 -0.00 0.00 -2.44 0.00 0.00 57.07 55.28 2ke5 s TYR 154 Cb -0.16 -2.12 -0.02 0.00 0.35 0.00 0.00 41.96 40.01 2ke5 s TYR 154 CO 0.04 0.61 -0.02 0.08 -1.34 0.00 0.00 175.55 174.92 2ke5 s VAL 155 N -1.23 0.12 0.14 3.14 1.01 -1.17 -4.93 120.40 117.48 2ke5 s VAL 155 Ca 0.26 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 2ke5 s VAL 155 Cb -0.14 -0.36 -0.07 0.00 0.00 0.00 0.00 36.38 35.81 2ke5 s VAL 155 CO 0.14 -0.53 0.57 -1.61 0.00 0.00 0.00 175.10 173.67 2ke5 s GLU 156 N -1.64 4.03 0.28 2.72 2.02 -1.26 -1.91 118.70 122.95 2ke5 s GLU 156 Ca -0.14 0.55 -0.09 0.00 0.02 0.00 0.00 54.97 55.31 2ke5 s GLU 156 Cb -0.09 -2.97 -0.00 0.00 0.10 0.00 0.00 34.13 31.17 2ke5 s GLU 156 CO -0.02 0.49 0.47 0.95 0.02 0.00 0.00 175.26 177.18 2ke5 s THR 157 N -1.42 0.00 -0.18 3.63 -4.23 -0.20 -4.91 115.64 108.34 2ke5 s THR 157 Ca 0.37 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 59.36 2ke5 s THR 157 Cb -0.16 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.33 2ke5 s THR 157 CO 0.19 0.00 0.05 -0.94 -0.54 0.00 0.00 174.62 173.39 2ke5 s SER 158 N -3.10 2.59 0.00 3.99 1.04 -1.26 -2.28 113.70 114.68 2ke5 s SER 158 Ca 0.26 -0.69 0.07 0.00 0.48 0.00 0.00 55.95 56.07 2ke5 s SER 158 Cb -0.00 -0.45 0.43 0.00 0.10 0.00 0.00 66.02 66.10 2ke5 s SER 158 CO 0.13 -0.31 1.00 0.00 0.98 0.00 0.00 173.24 175.04 2ke5 n ALA 159 N 5.14 2.21 -0.14 5.32 0.00 -1.26 -1.74 120.51 130.04 2ke5 n ALA 159 Ca -0.08 -0.05 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 2ke5 n ALA 159 Cb 0.48 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 2ke5 n ALA 159 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2ke5 n LYS 160 N -0.67 0.61 0.00 0.00 3.00 -1.26 -4.45 118.16 115.38 2ke5 n LYS 160 Ca 0.05 0.24 0.13 0.00 -0.00 0.00 0.00 58.31 58.74 2ke5 n LYS 160 Cb 0.03 -1.50 0.40 0.00 0.00 0.00 0.00 35.03 33.95 2ke5 n LYS 160 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2ke5 n THR 161 N -3.99 0.00 -3.65 3.15 -2.24 -1.18 -4.68 114.28 101.70 2ke5 n THR 161 Ca -0.52 -0.29 -0.30 0.00 -2.27 0.00 0.00 64.05 60.67 2ke5 n THR 161 Cb 0.91 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.81 2ke5 n THR 161 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2ke5 n ARG 162 N 0.33 -0.95 -0.02 -0.78 -4.01 -0.71 -4.80 116.66 105.71 2ke5 n ARG 162 Ca 0.17 0.10 -0.08 0.00 -1.04 0.00 0.00 57.85 57.00 2ke5 n ARG 162 Cb 0.41 -3.58 -0.06 0.00 -3.04 0.00 0.00 32.46 26.18 2ke5 n ARG 162 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2ke5 h ALA 163 N 1.15 -0.07 -0.32 2.89 0.00 -1.92 -3.38 119.26 117.60 2ke5 h ALA 163 Ca -0.41 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 2ke5 h ALA 163 Cb 1.03 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2ke5 h ALA 163 CO 0.62 -0.09 0.01 0.27 0.00 0.00 0.00 179.25 180.06 2ke5 n ASN 164 N -4.77 3.43 -0.08 0.00 0.23 -1.26 -4.62 115.26 108.19 2ke5 n ASN 164 Ca -0.06 -3.29 -0.09 0.00 -0.53 0.00 0.00 54.58 50.61 2ke5 n ASN 164 Cb 0.24 -0.59 0.06 0.00 -2.08 0.00 0.00 39.78 37.41 2ke5 n ASN 164 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 2ke5 h VAL 165 N 1.51 1.28 0.00 3.53 3.04 -1.84 -2.65 116.25 121.12 2ke5 h VAL 165 Ca 0.10 -1.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.34 2ke5 h VAL 165 Cb 1.58 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.19 2ke5 h VAL 165 CO 0.32 0.48 0.00 -0.90 -1.01 0.00 0.00 177.57 176.46 2ke5 n ASP 166 N -4.08 0.76 -0.06 3.17 5.75 -1.26 -3.23 116.55 117.59 2ke5 n ASP 166 Ca -0.01 0.65 0.08 0.00 -0.01 0.00 0.00 54.79 55.50 2ke5 n ASP 166 Cb 0.48 -0.82 0.45 0.00 -1.03 0.00 0.00 41.12 40.20 2ke5 n ASP 166 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2ke5 h LYS 167 N 0.00 0.49 0.00 0.11 1.63 -1.79 -1.22 116.57 115.79 2ke5 h LYS 167 Ca 0.00 -0.03 -0.21 0.00 -0.85 0.00 0.00 60.65 59.56 2ke5 h LYS 167 Cb 0.49 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 2ke5 h LYS 167 CO 0.00 0.33 -1.04 -0.24 -3.45 0.00 0.00 179.45 175.05 2ke5 h VAL 168 N 0.51 1.46 -0.04 2.00 3.04 -1.71 -2.66 116.25 118.84 2ke5 h VAL 168 Ca 0.23 -3.14 -0.07 0.00 -1.01 0.00 0.00 66.70 62.71 2ke5 h VAL 168 Cb 0.26 2.72 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 2ke5 h VAL 168 CO -0.06 0.83 -0.26 -0.26 -1.01 0.00 0.00 177.57 176.80 2ke5 h PHE 169 N 0.00 0.35 -0.29 3.17 -1.00 -1.52 -2.26 116.94 115.39 2ke5 h PHE 169 Ca -0.05 -0.16 -0.09 0.00 2.81 0.00 0.00 57.97 60.48 2ke5 h PHE 169 Cb 1.75 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 41.25 2ke5 h PHE 169 CO 0.00 0.90 -0.19 0.74 -1.61 0.00 0.00 178.31 178.15 2ke5 h PHE 170 N -0.29 0.75 0.26 -0.55 0.04 -1.38 -1.50 116.94 114.27 2ke5 h PHE 170 Ca -0.02 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.54 2ke5 h PHE 170 Cb 0.94 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.92 2ke5 h PHE 170 CO 0.14 0.90 -0.13 0.22 -0.60 0.00 0.00 178.31 178.85 2ke5 h ASP 171 N 0.38 -0.30 -0.19 2.17 1.82 -1.57 -2.51 116.42 116.23 2ke5 h ASP 171 Ca 0.06 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 2ke5 h ASP 171 Cb 0.73 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 2ke5 h ASP 171 CO 0.05 -0.18 0.08 0.25 -1.61 0.00 0.00 179.24 177.83 2ke5 h LEU 172 N -0.39 0.30 -0.74 2.28 5.85 -1.45 -2.34 115.31 118.82 2ke5 h LEU 172 Ca -0.04 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2ke5 h LEU 172 Cb 0.30 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2ke5 h LEU 172 CO 0.06 0.29 0.48 -0.03 -0.34 0.00 0.00 178.44 178.90 2ke5 h MET 173 N 0.34 0.92 -0.91 1.25 4.05 -0.86 -2.13 114.93 117.58 2ke5 h MET 173 Ca 0.08 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2ke5 h MET 173 Cb 0.10 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 30.65 2ke5 h MET 173 CO -0.01 0.61 0.51 0.00 0.23 0.00 0.00 176.91 178.25 2ke5 h ARG 174 N 0.94 1.27 -0.27 0.39 3.08 -1.02 -2.51 114.38 116.27 2ke5 h ARG 174 Ca 0.29 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2ke5 h ARG 174 Cb -0.02 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 2ke5 h ARG 174 CO -0.09 0.92 0.15 0.93 -1.07 0.00 0.00 179.97 180.81 2ke5 h GLU 175 N 1.27 0.37 -0.38 0.04 4.39 -1.33 -1.41 114.58 117.53 2ke5 h GLU 175 Ca 0.32 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.03 2ke5 h GLU 175 Cb 0.01 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2ke5 h GLU 175 CO -0.05 0.30 0.26 0.82 -1.16 0.00 0.00 179.01 179.18 2ke5 h ILE 176 N 0.33 0.98 0.11 3.13 2.04 -1.10 0.73 117.51 123.72 2ke5 h ILE 176 Ca 0.09 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2ke5 h ILE 176 Cb 0.04 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2ke5 h ILE 176 CO -0.02 0.06 -0.05 0.03 0.00 0.00 0.00 178.15 178.17 2ke5 h ARG 177 N 0.32 -0.14 0.00 2.37 3.08 -0.99 -3.17 114.38 115.85 2ke5 h ARG 177 Ca 0.16 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2ke5 h ARG 177 Cb 0.24 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2ke5 h ARG 177 CO -0.04 0.36 -0.48 1.15 -1.07 0.00 0.00 179.97 179.90 2ke5 h THR 178 N -0.83 0.13 0.42 2.04 2.02 -1.05 -3.31 112.91 112.33 2ke5 h THR 178 Ca -0.01 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 2ke5 h THR 178 Cb 0.57 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2ke5 h THR 178 CO 0.02 0.04 -0.20 0.50 0.37 0.00 0.00 175.52 176.26 2ke5 h LYS 179 N -1.00 -0.55 -0.52 6.66 3.64 0.22 0.54 116.57 125.57 2ke5 h LYS 179 Ca -0.03 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ke5 h LYS 179 Cb 0.50 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2ke5 h LYS 179 CO -0.02 -0.31 0.33 -0.22 -2.27 0.00 0.00 179.45 176.95 2ke5 h LYS 180 N -0.66 0.69 0.00 1.90 3.11 -1.24 -1.87 116.57 118.50 2ke5 h LYS 180 Ca -0.06 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.73 2ke5 h LYS 180 Cb 0.48 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 2ke5 h LYS 180 CO 0.10 0.48 0.00 -1.33 -2.81 0.00 0.00 179.45 175.89 2ke5 n MET 181 N -4.70 0.14 0.26 1.90 2.81 -1.20 -3.73 117.12 112.60 2ke5 n MET 181 Ca 0.03 0.23 -0.11 0.00 -1.81 0.00 0.00 57.70 56.04 2ke5 n MET 181 Cb 0.04 -1.71 -0.05 0.00 -0.71 0.00 0.00 33.22 30.79 2ke5 n MET 181 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2ke5 h SER 182 N 0.00 -0.59 -1.31 7.83 0.87 -0.02 -3.47 113.55 116.86 2ke5 h SER 182 Ca 0.00 0.02 -0.37 0.00 -1.23 0.00 0.00 61.79 60.21 2ke5 h SER 182 Cb 0.50 0.15 -0.14 0.00 -0.44 0.00 0.00 62.40 62.48 2ke5 h SER 182 CO 0.00 -0.23 -0.35 -0.62 -0.53 0.00 0.00 176.83 175.11 2ke5 n GLU 183 N -4.98 -1.44 0.06 2.24 1.02 -1.18 -4.51 120.64 111.85 2ke5 n GLU 183 Ca -0.09 1.06 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 2ke5 n GLU 183 Cb 0.28 -5.42 0.00 0.00 -0.02 0.00 0.00 31.44 26.28 2ke5 n GLU 183 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2ke5 n ASN 184 N -1.14 -0.75 0.00 1.62 5.15 -1.26 -4.99 115.26 113.89 2ke5 n ASN 184 Ca -0.18 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 2ke5 n ASN 184 Cb 0.60 0.92 0.00 0.00 -0.53 0.00 0.00 39.78 40.78 2ke5 n ASN 184 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83