#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcc h THR 10 N 0.00 1.40 -0.32 3.45 1.03 -2.04 -0.96 112.91 115.48 3kcc h THR 10 Ca 0.00 -2.10 -0.05 0.00 -0.01 0.00 0.00 66.41 64.25 3kcc h THR 10 Cb 0.00 2.09 -0.01 0.00 -1.07 0.00 0.00 68.15 69.16 3kcc h THR 10 CO 0.00 0.62 0.01 -0.07 -0.01 0.00 0.00 175.52 176.07 3kcc h LEU 11 N 0.18 0.54 -0.23 0.00 4.07 -2.01 0.65 115.31 118.50 3kcc h LEU 11 Ca -0.01 -0.30 0.03 0.00 0.08 0.00 0.00 57.88 57.68 3kcc h LEU 11 Cb 1.19 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.76 3kcc h LEU 11 CO 0.10 0.70 0.04 1.05 -1.08 0.00 0.00 178.44 179.26 3kcc h GLU 12 N 0.36 0.13 -0.01 1.13 4.11 -1.98 0.14 114.58 118.46 3kcc h GLU 12 Ca 0.09 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.53 3kcc h GLU 12 Cb 0.42 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3kcc h GLU 12 CO 0.01 0.09 -0.10 2.35 0.07 0.00 0.00 179.01 181.43 3kcc h TRP 13 N 0.13 -0.25 -0.29 2.06 7.01 -1.07 -1.38 115.95 122.15 3kcc h TRP 13 Ca 0.11 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.17 3kcc h TRP 13 Cb 0.11 0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.24 3kcc h TRP 13 CO -0.15 -0.15 0.00 0.35 -2.79 0.00 0.00 178.44 175.69 3kcc h PHE 14 N -0.17 -0.01 0.00 2.65 3.57 -0.55 -2.42 116.94 120.01 3kcc h PHE 14 Ca 0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3kcc h PHE 14 Cb 0.22 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 3kcc h PHE 14 CO -0.17 -0.05 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.67 3kcc h LEU 15 N 0.09 0.00 -1.63 0.59 3.38 -0.40 -1.08 115.31 116.25 3kcc h LEU 15 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kcc h LEU 15 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kcc h LEU 15 CO -0.24 0.13 0.00 0.77 0.09 0.00 0.00 178.44 179.19 3kcc h SER 16 N 0.00 0.00 -0.32 -0.43 4.64 -0.73 -0.86 113.55 115.85 3kcc h SER 16 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kcc h SER 16 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3kcc h SER 16 CO 0.02 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 3kcc n HIS 17 N -2.66 0.40 -4.13 4.77 8.25 -0.41 -4.96 115.22 116.47 3kcc n HIS 17 Ca -0.00 -0.20 -0.24 0.00 -0.26 0.00 0.00 57.72 57.02 3kcc n HIS 17 Cb 0.16 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 3kcc n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kcc s HIS 19 N -2.01 3.25 -0.16 0.00 3.76 -0.30 -4.87 115.29 114.97 3kcc s HIS 19 Ca 0.32 0.06 -0.08 0.00 -0.15 0.00 0.00 55.06 55.21 3kcc s HIS 19 Cb -0.08 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 3kcc s HIS 19 CO 0.23 0.04 0.11 0.42 -0.85 0.00 0.00 174.74 174.69 3kcc s ILE 20 N 0.84 5.21 0.17 0.60 1.01 -1.26 -0.47 121.20 127.30 3kcc s ILE 20 Ca 0.05 0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.88 3kcc s ILE 20 Cb -0.13 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3kcc s ILE 20 CO 0.02 0.52 -0.13 -1.00 0.00 0.00 0.00 174.94 174.35 3kcc s HIS 21 N -0.19 1.51 -0.02 3.97 3.76 -0.35 -4.94 115.29 119.03 3kcc s HIS 21 Ca 0.10 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 3kcc s HIS 21 Cb -0.12 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.80 3kcc s HIS 21 CO 0.01 0.23 0.03 0.15 -0.85 0.00 0.00 174.74 174.31 3kcc s LYS 22 N -3.51 2.93 -0.09 1.40 1.02 -1.26 -0.13 119.74 120.09 3kcc s LYS 22 Ca 0.18 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 3kcc s LYS 22 Cb -0.00 -2.77 0.03 0.00 -0.52 0.00 0.00 37.83 34.57 3kcc s LYS 22 CO 0.04 0.65 -0.02 0.71 -0.92 0.00 0.00 175.35 175.81 3kcc s TYR 23 N -1.10 0.96 0.81 3.18 2.02 0.22 -4.97 117.35 118.48 3kcc s TYR 23 Ca 0.20 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.39 3kcc s TYR 23 Cb -0.12 -0.96 0.08 0.00 -0.40 0.00 0.00 41.96 40.56 3kcc s TYR 23 CO 0.10 -0.41 1.09 -2.14 -1.57 0.00 0.00 175.55 172.63 3kcc s PRO 24 N 1.88 1.96 0.32 -1.71 0.02 -1.26 0.80 135.00 137.01 3kcc s PRO 24 Ca 0.05 1.08 -0.27 0.00 0.02 0.00 0.00 61.00 61.87 3kcc s PRO 24 Cb -0.13 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 3kcc s PRO 24 CO -0.06 -1.82 0.96 0.45 -0.33 0.00 0.00 177.00 176.19 3kcc n SER 25 N -3.63 1.04 0.00 2.53 2.88 -1.26 -2.10 113.62 113.08 3kcc n SER 25 Ca 0.09 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 3kcc n SER 25 Cb 0.54 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 3kcc n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kcc n LYS 26 N 0.61 0.00 -2.52 -1.46 5.02 0.18 -4.96 118.16 115.04 3kcc n LYS 26 Ca 0.10 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.03 3kcc n LYS 26 Cb 0.34 -2.08 -0.04 0.00 -0.02 0.00 0.00 35.03 33.23 3kcc n LYS 26 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3kcc s SER 27 N -3.52 6.63 -0.25 4.39 1.04 -0.89 -4.66 113.70 116.43 3kcc s SER 27 Ca 0.00 2.04 -0.18 0.00 0.48 0.00 0.00 55.95 58.29 3kcc s SER 27 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 3kcc s SER 27 CO 0.00 -0.58 0.52 -0.89 0.98 0.00 0.00 173.24 173.27 3kcc s THR 28 N -1.70 5.07 0.03 2.02 2.01 -1.26 -0.38 115.64 121.43 3kcc s THR 28 Ca 0.60 0.91 -0.04 0.00 0.31 0.00 0.00 61.69 63.47 3kcc s THR 28 Cb -0.22 -3.84 -0.29 0.00 0.01 0.00 0.00 72.50 68.17 3kcc s THR 28 CO 0.27 0.10 0.97 -0.07 -0.69 0.00 0.00 174.62 175.20 3kcc h LEU 29 N 8.63 0.44 -7.50 4.42 4.07 -0.62 -3.46 115.31 121.28 3kcc h LEU 29 Ca -0.30 -0.54 -0.27 0.00 0.08 0.00 0.00 57.88 56.86 3kcc h LEU 29 Cb 1.14 -0.14 -0.32 0.00 1.08 0.00 0.00 40.66 42.42 3kcc h LEU 29 CO 0.72 1.44 -0.67 -0.63 -1.08 0.00 0.00 178.44 178.22 3kcc s ILE 30 N -2.63 -0.05 -0.16 1.22 1.01 -1.07 -4.97 121.20 114.55 3kcc s ILE 30 Ca -0.07 0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 3kcc s ILE 30 Cb 0.07 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.35 3kcc s ILE 30 CO 0.87 0.07 0.04 -1.00 0.00 0.00 0.00 174.94 174.92 3kcc s HIS 31 N 1.01 3.22 0.22 3.97 3.76 -1.26 -1.45 115.29 124.75 3kcc s HIS 31 Ca -0.08 0.05 -0.32 0.00 -0.15 0.00 0.00 55.06 54.56 3kcc s HIS 31 Cb -0.11 -2.01 -0.12 0.00 1.11 0.00 0.00 32.58 31.44 3kcc s HIS 31 CO -0.04 0.20 1.64 0.94 -0.85 0.00 0.00 174.74 176.63 3kcc n GLN 32 N 3.25 2.56 0.00 1.40 -0.06 -1.21 -2.39 117.38 120.92 3kcc n GLN 32 Ca -0.17 0.92 0.00 0.00 -2.00 0.00 0.00 57.00 55.75 3kcc n GLN 32 Cb 0.53 -2.72 0.00 0.00 -4.06 0.00 0.00 30.24 23.99 3kcc n GLN 32 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kcc n GLY 33 N 3.29 1.77 3.75 1.69 0.00 -0.36 -4.93 105.19 110.41 3kcc n GLY 33 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3kcc n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kcc s GLU 34 N -0.99 2.73 0.16 1.61 2.02 -1.01 -4.55 118.70 118.67 3kcc s GLU 34 Ca 0.00 1.76 -0.31 0.00 0.02 0.00 0.00 54.97 56.45 3kcc s GLU 34 Cb 0.00 -1.91 -0.09 0.00 0.10 0.00 0.00 34.13 32.24 3kcc s GLU 34 CO 0.00 -1.38 1.41 -1.59 0.02 0.00 0.00 175.26 173.73 3kcc s LYS 35 N -3.57 4.31 -0.31 1.61 0.00 -1.26 -0.15 119.74 120.38 3kcc s LYS 35 Ca 0.76 2.15 -0.18 0.00 0.00 0.00 0.00 55.97 58.70 3kcc s LYS 35 Cb -0.29 -3.20 -0.02 0.00 0.00 0.00 0.00 37.83 34.32 3kcc s LYS 35 CO 0.37 -0.43 0.52 0.00 0.00 0.00 0.00 175.35 175.81 3kcc s ALA 36 N 0.79 3.53 0.00 0.59 0.00 -0.37 -4.81 121.76 121.48 3kcc s ALA 36 Ca 0.63 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3kcc s ALA 36 Cb -0.39 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3kcc s ALA 36 CO 0.33 -0.99 0.13 0.39 0.00 0.00 0.00 175.76 175.63 3kcc n GLU 37 N 5.67 -0.00 -3.88 0.00 1.02 -1.26 -4.71 120.64 117.47 3kcc n GLU 37 Ca -0.04 -0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.85 3kcc n GLU 37 Cb 0.49 -0.52 -0.14 0.00 -0.02 0.00 0.00 31.44 31.26 3kcc n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kcc s THR 38 N -0.01 0.01 -0.12 2.62 2.01 -1.26 -1.62 115.64 117.27 3kcc s THR 38 Ca 0.00 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 3kcc s THR 38 Cb 0.00 -0.04 -0.03 0.00 0.01 0.00 0.00 72.50 72.44 3kcc s THR 38 CO 0.00 -0.06 0.01 -0.22 -0.69 0.00 0.00 174.62 173.67 3kcc s LEU 39 N -0.17 3.61 0.25 4.42 2.96 0.54 -4.76 118.68 125.53 3kcc s LEU 39 Ca -0.02 0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.09 3kcc s LEU 39 Cb -0.01 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3kcc s LEU 39 CO -0.00 0.31 -0.00 -0.31 -1.32 0.00 0.00 176.35 175.03 3kcc s TYR 40 N -0.45 2.73 -0.03 5.38 2.02 0.42 -1.39 117.35 126.03 3kcc s TYR 40 Ca 0.08 -0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3kcc s TYR 40 Cb -0.12 -1.24 0.03 0.00 -0.40 0.00 0.00 41.96 40.23 3kcc s TYR 40 CO 0.02 0.59 0.05 -0.47 -1.57 0.00 0.00 175.55 174.17 3kcc s TYR 41 N -2.18 0.02 -0.57 2.71 5.04 0.43 -0.56 117.35 122.23 3kcc s TYR 41 Ca 0.30 0.20 -0.27 0.00 -2.44 0.00 0.00 57.07 54.86 3kcc s TYR 41 Cb -0.07 -0.28 0.03 0.00 0.35 0.00 0.00 41.96 41.99 3kcc s TYR 41 CO 0.20 -0.12 1.13 0.42 -1.34 0.00 0.00 175.55 175.83 3kcc s ILE 42 N 1.37 4.10 0.03 3.14 1.01 0.42 -0.30 121.20 130.98 3kcc s ILE 42 Ca -0.05 0.76 -0.17 0.00 0.00 0.00 0.00 60.65 61.18 3kcc s ILE 42 Cb -0.13 -4.68 -0.27 0.00 0.01 0.00 0.00 42.46 37.39 3kcc s ILE 42 CO -0.03 -1.29 1.09 0.58 0.00 0.00 0.00 174.94 175.29 3kcc h VAL 43 N 6.12 1.35 -3.03 2.92 2.07 -1.38 0.10 116.25 124.41 3kcc h VAL 43 Ca -0.25 -2.33 -0.14 0.00 0.82 0.00 0.00 66.70 64.80 3kcc h VAL 43 Cb 1.06 2.67 -0.24 0.00 -1.52 0.00 0.00 31.29 33.27 3kcc h VAL 43 CO 1.16 0.70 -0.34 -0.54 0.02 0.00 0.00 177.57 178.57 3kcc s LYS 44 N -3.04 0.45 0.00 1.57 1.02 -0.91 -4.68 119.74 114.15 3kcc s LYS 44 Ca -0.11 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.11 3kcc s LYS 44 Cb 0.05 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 3kcc s LYS 44 CO 0.89 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.65 3kcc n GLY 45 N 2.42 -1.40 3.06 -3.33 0.00 -1.26 -0.59 105.19 104.09 3kcc n GLY 45 Ca -0.16 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.53 3kcc n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kcc s SER 46 N -1.03 0.77 0.17 1.61 1.04 -1.26 -2.47 113.70 112.52 3kcc s SER 46 Ca 0.00 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.84 3kcc s SER 46 Cb 0.00 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 3kcc s SER 46 CO 0.00 -0.26 0.01 0.68 0.98 0.00 0.00 173.24 174.65 3kcc s VAL 47 N -1.70 0.57 -0.05 5.02 -7.23 -0.24 -0.44 120.40 116.33 3kcc s VAL 47 Ca -0.08 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 3kcc s VAL 47 Cb -0.08 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 3kcc s VAL 47 CO -0.01 -0.47 -0.18 0.00 -0.31 0.00 0.00 175.10 174.13 3kcc s ALA 48 N -3.73 2.49 -0.22 1.32 0.00 0.24 -1.55 121.76 120.31 3kcc s ALA 48 Ca 0.24 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 3kcc s ALA 48 Cb 0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 3kcc s ALA 48 CO 0.04 0.52 0.17 0.08 0.00 0.00 0.00 175.76 176.57 3kcc s VAL 49 N -0.60 5.36 0.04 0.00 1.01 0.94 -0.83 120.40 126.32 3kcc s VAL 49 Ca 0.09 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3kcc s VAL 49 Cb -0.11 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3kcc s VAL 49 CO 0.01 0.37 -0.11 -0.76 0.00 0.00 0.00 175.10 174.61 3kcc s LEU 50 N 0.86 2.19 0.25 3.92 1.02 0.47 -0.09 118.68 127.30 3kcc s LEU 50 Ca 0.09 -0.46 0.10 0.00 0.02 0.00 0.00 54.13 53.87 3kcc s LEU 50 Cb -0.13 -0.38 -0.05 0.00 0.02 0.00 0.00 46.19 45.65 3kcc s LEU 50 CO 0.03 -0.06 -0.16 0.27 0.02 0.00 0.00 176.35 176.44 3kcc s ILE 51 N -1.00 2.08 0.13 -0.59 -4.36 -0.56 -0.93 121.20 115.97 3kcc s ILE 51 Ca -0.03 -2.29 0.08 0.00 -0.26 0.00 0.00 60.65 58.14 3kcc s ILE 51 Cb -0.08 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 3kcc s ILE 51 CO 0.01 -0.47 -0.18 -0.54 0.24 0.00 0.00 174.94 174.00 3kcc s LYS 52 N -3.59 1.13 0.40 0.37 1.02 -1.26 -0.68 119.74 117.13 3kcc s LYS 52 Ca 0.27 -1.25 0.06 0.00 0.02 0.00 0.00 55.97 55.07 3kcc s LYS 52 Cb -0.02 -1.21 0.06 0.00 -0.52 0.00 0.00 37.83 36.14 3kcc s LYS 52 CO 0.11 0.26 0.52 -0.40 -0.92 0.00 0.00 175.35 174.92 3kcc n ASP 53 N 0.70 1.60 0.11 2.83 5.75 -0.34 -4.97 116.55 122.23 3kcc n ASP 53 Ca -0.16 -2.12 0.10 0.00 -0.01 0.00 0.00 54.79 52.60 3kcc n ASP 53 Cb 0.56 -0.25 0.46 0.00 -1.03 0.00 0.00 41.12 40.85 3kcc n ASP 53 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 3kcc n GLU 54 N -1.81 0.14 -0.26 0.11 0.28 -1.26 -1.85 120.64 115.99 3kcc n GLU 54 Ca 0.09 0.47 0.11 0.00 -0.16 0.00 0.00 57.16 57.67 3kcc n GLU 54 Cb 0.42 -1.83 0.25 0.00 1.43 0.00 0.00 31.44 31.71 3kcc n GLU 54 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3kcc n GLU 55 N -2.10 2.58 -0.87 3.44 4.07 -1.26 -4.95 120.64 121.56 3kcc n GLU 55 Ca 0.01 -2.37 0.00 0.00 -0.06 0.00 0.00 57.16 54.74 3kcc n GLU 55 Cb 0.15 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 3kcc n GLU 55 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kcc n GLY 56 N 1.37 0.92 3.74 8.31 0.00 -0.77 -5.01 105.19 113.75 3kcc n GLY 56 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3kcc n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcc s LYS 57 N -0.13 4.34 -0.03 1.61 1.02 -1.26 -4.77 119.74 120.52 3kcc s LYS 57 Ca 0.00 2.15 0.02 0.00 0.02 0.00 0.00 55.97 58.16 3kcc s LYS 57 Cb 0.00 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 3kcc s LYS 57 CO 0.00 -0.31 -0.06 -1.21 -0.92 0.00 0.00 175.35 172.86 3kcc s GLU 58 N -0.30 2.68 -0.05 1.68 2.02 -1.26 -1.19 118.70 122.28 3kcc s GLU 58 Ca 0.57 -0.63 0.05 0.00 0.02 0.00 0.00 54.97 54.99 3kcc s GLU 58 Cb -0.39 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 3kcc s GLU 58 CO 0.41 0.63 -0.21 1.41 0.02 0.00 0.00 175.26 177.52 3kcc s MET 59 N -1.18 2.15 -0.25 1.61 -2.45 0.15 -4.61 119.30 114.72 3kcc s MET 59 Ca 0.15 -0.75 -0.24 0.00 -1.25 0.00 0.00 55.69 53.60 3kcc s MET 59 Cb -0.11 -1.84 -0.00 0.00 1.25 0.00 0.00 34.83 34.12 3kcc s MET 59 CO 0.05 0.31 0.82 0.42 1.05 0.00 0.00 175.02 177.67 3kcc s ILE 60 N -0.05 4.83 0.04 10.11 1.01 0.18 -1.49 121.20 135.82 3kcc s ILE 60 Ca -0.04 1.52 -0.03 0.00 0.00 0.00 0.00 60.65 62.10 3kcc s ILE 60 Cb -0.13 -4.12 -0.28 0.00 0.01 0.00 0.00 42.46 37.95 3kcc s ILE 60 CO 0.03 -0.10 0.98 -0.07 0.00 0.00 0.00 174.94 175.78 3kcc h LEU 61 N 9.23 0.39 -7.00 2.97 3.38 -0.83 -3.42 115.31 120.02 3kcc h LEU 61 Ca -0.23 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 57.33 3kcc h LEU 61 Cb 1.09 -0.13 -0.21 0.00 0.09 0.00 0.00 40.66 41.51 3kcc h LEU 61 CO 0.88 1.39 0.49 -0.55 0.09 0.00 0.00 178.44 180.73 3kcc s SER 62 N -7.02 -0.41 -0.08 -0.43 0.15 -1.18 -4.92 113.70 99.80 3kcc s SER 62 Ca -0.06 0.38 -0.09 0.00 0.70 0.00 0.00 55.95 56.87 3kcc s SER 62 Cb 0.07 0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 64.68 3kcc s SER 62 CO 0.86 -0.43 0.22 -0.31 1.20 0.00 0.00 173.24 174.79 3kcc s TYR 63 N -1.48 3.64 0.19 3.44 2.02 -1.26 -0.04 117.35 123.85 3kcc s TYR 63 Ca -0.02 0.67 0.09 0.00 -0.37 0.00 0.00 57.07 57.44 3kcc s TYR 63 Cb -0.00 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 3kcc s TYR 63 CO 0.01 0.71 -0.19 -0.51 -1.57 0.00 0.00 175.55 174.00 3kcc s LEU 64 N -1.06 2.47 0.00 -1.29 1.43 -0.59 -4.97 118.68 114.66 3kcc s LEU 64 Ca 0.18 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 3kcc s LEU 64 Cb -0.13 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 3kcc s LEU 64 CO 0.07 -0.02 0.14 0.59 0.23 0.00 0.00 176.35 177.36 3kcc n ASN 65 N 0.10 -0.22 -4.64 2.29 3.02 -1.26 -1.08 115.26 113.46 3kcc n ASN 65 Ca -0.11 -2.16 -0.46 0.00 -0.03 0.00 0.00 54.58 51.81 3kcc n ASN 65 Cb 0.58 0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 40.57 3kcc n ASN 65 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3kcc n GLN 66 N -0.35 1.75 -0.00 3.52 7.27 -1.03 -1.44 117.38 127.09 3kcc n GLN 66 Ca 0.03 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.73 3kcc n GLN 66 Cb 0.32 -2.25 0.00 0.00 2.41 0.00 0.00 30.24 30.72 3kcc n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kcc n GLY 67 N 2.30 0.58 3.76 1.69 0.00 0.36 -5.03 105.19 108.86 3kcc n GLY 67 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3kcc n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcc s ASP 68 N -2.40 7.01 0.43 1.61 1.01 -0.52 -4.86 116.67 118.95 3kcc s ASP 68 Ca 0.00 1.20 -0.22 0.00 0.71 0.00 0.00 52.55 54.24 3kcc s ASP 68 Cb 0.00 -2.38 -0.09 0.00 1.01 0.00 0.00 42.92 41.46 3kcc s ASP 68 CO 0.00 0.09 1.01 -0.36 0.21 0.00 0.00 175.17 176.12 3kcc s PHE 69 N -0.18 3.22 0.03 4.23 0.08 -1.26 -0.44 117.98 123.67 3kcc s PHE 69 Ca 0.32 1.62 -0.00 0.00 0.12 0.00 0.00 56.93 58.99 3kcc s PHE 69 Cb -0.19 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 3kcc s PHE 69 CO 0.18 -0.47 -0.03 0.96 -0.10 0.00 0.00 175.22 175.76 3kcc s ILE 70 N -1.92 0.19 -0.48 0.64 -4.36 0.27 -4.86 121.20 110.68 3kcc s ILE 70 Ca 0.62 -1.29 0.00 0.00 -0.26 0.00 0.00 60.65 59.71 3kcc s ILE 70 Cb -0.16 -0.80 0.00 0.00 1.25 0.00 0.00 42.46 42.75 3kcc s ILE 70 CO 0.20 -0.70 0.00 0.61 0.24 0.00 0.00 174.94 175.29 3kcc n GLY 71 N 0.98 0.28 0.11 6.27 0.00 -1.26 -0.43 105.19 111.14 3kcc n GLY 71 Ca -0.20 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.25 3kcc n GLY 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kcc h GLU 72 N 0.00 0.00 0.00 1.61 9.09 -1.89 -3.39 114.58 120.00 3kcc h GLU 72 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.29 3kcc h GLU 72 Cb 0.94 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.04 3kcc h GLU 72 CO 0.15 0.00 0.00 -0.07 0.05 0.00 0.00 179.01 179.14 3kcc h LEU 73 N 0.00 0.00 -1.39 3.06 3.38 -1.95 -2.35 115.31 116.06 3kcc h LEU 73 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kcc h LEU 73 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3kcc h LEU 73 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3kcc n GLY 74 N 0.41 0.54 0.23 0.83 0.00 -1.26 -4.51 105.19 101.43 3kcc n GLY 74 Ca 0.02 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.59 3kcc n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kcc h LEU 75 N 3.02 0.00 -1.06 0.99 5.85 -1.69 -3.28 115.31 119.13 3kcc h LEU 75 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kcc h LEU 75 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3kcc h LEU 75 CO 0.00 0.17 -0.35 0.49 -0.34 0.00 0.00 178.44 178.41 3kcc n PHE 76 N -4.23 0.00 -3.67 1.25 3.72 -1.26 -4.87 117.46 108.39 3kcc n PHE 76 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 3kcc n PHE 76 Cb 0.24 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.69 3kcc n PHE 76 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kcc s GLU 77 N -2.11 0.51 0.69 -1.08 0.41 -1.24 -5.17 118.70 110.72 3kcc s GLU 77 Ca 0.17 0.99 -0.13 0.00 -0.41 0.00 0.00 54.97 55.59 3kcc s GLU 77 Cb 0.16 0.09 0.01 0.00 -1.78 0.00 0.00 34.13 32.61 3kcc s GLU 77 CO 0.45 -0.16 1.08 -1.21 -0.49 0.00 0.00 175.26 174.93 3kcc s GLU 78 N 1.63 2.77 -0.46 1.61 2.02 -1.26 -4.08 118.70 120.92 3kcc s GLU 78 Ca -0.09 1.19 0.00 0.00 0.02 0.00 0.00 54.97 56.09 3kcc s GLU 78 Cb -0.08 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.20 3kcc s GLU 78 CO -0.16 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.28 3kcc n GLY 79 N -1.15 0.22 3.92 -1.39 0.00 -1.26 -5.05 105.19 100.48 3kcc n GLY 79 Ca 0.09 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 3kcc n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kcc s GLN 80 N -4.08 3.24 0.11 1.61 -0.21 -1.26 -5.02 119.66 114.06 3kcc s GLN 80 Ca 0.00 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 54.51 3kcc s GLN 80 Cb 0.00 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 3kcc s GLN 80 CO 0.00 0.40 0.26 -1.21 -2.12 0.00 0.00 175.29 172.62 3kcc s GLU 81 N -3.94 3.45 0.22 2.91 2.02 -1.26 -1.24 118.70 120.85 3kcc s GLU 81 Ca 0.34 -0.50 -0.32 0.00 0.02 0.00 0.00 54.97 54.51 3kcc s GLU 81 Cb -0.09 -2.99 -0.12 0.00 0.10 0.00 0.00 34.13 31.03 3kcc s GLU 81 CO 0.28 0.56 1.66 0.54 0.02 0.00 0.00 175.26 178.31 3kcc n ARG 82 N -0.15 2.61 0.00 1.61 5.12 0.79 -4.80 116.66 121.84 3kcc n ARG 82 Ca -0.06 0.94 0.13 0.00 -1.93 0.00 0.00 57.85 56.93 3kcc n ARG 82 Cb 0.53 -2.75 0.42 0.00 -1.16 0.00 0.00 32.46 29.49 3kcc n ARG 82 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3kcc n SER 83 N 3.46 0.79 -3.68 0.55 3.41 -1.26 -1.22 113.62 115.67 3kcc n SER 83 Ca 0.15 -0.68 -0.06 0.00 -0.26 0.00 0.00 58.87 58.02 3kcc n SER 83 Cb 0.34 0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 3kcc n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kcc s ALA 84 N -2.59 -1.63 0.19 7.33 0.00 -1.26 -4.96 121.76 118.84 3kcc s ALA 84 Ca 0.23 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 3kcc s ALA 84 Cb 0.19 0.64 -0.08 0.00 0.00 0.00 0.00 23.12 23.87 3kcc s ALA 84 CO 0.54 -0.93 0.68 -1.58 0.00 0.00 0.00 175.76 174.47 3kcc s TRP 85 N -3.37 3.69 -0.14 0.00 0.52 -0.11 -3.36 118.94 116.17 3kcc s TRP 85 Ca 0.09 1.35 -0.00 0.00 0.02 0.00 0.00 56.10 57.56 3kcc s TRP 85 Cb -0.02 -2.58 0.03 0.00 -1.15 0.00 0.00 33.47 29.75 3kcc s TRP 85 CO -0.01 0.40 -0.11 0.08 0.02 0.00 0.00 176.95 177.33 3kcc s VAL 86 N -1.42 1.32 -0.04 4.03 1.01 -0.53 -0.40 120.40 124.38 3kcc s VAL 86 Ca 0.40 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3kcc s VAL 86 Cb -0.17 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3kcc s VAL 86 CO 0.21 0.38 -0.21 -0.13 0.00 0.00 0.00 175.10 175.36 3kcc s ARG 87 N 1.58 1.98 0.10 2.72 0.52 -0.01 0.19 118.95 126.03 3kcc s ARG 87 Ca 0.04 -0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 3kcc s ARG 87 Cb -0.13 -1.77 -0.09 0.00 0.52 0.00 0.00 34.95 33.48 3kcc s ARG 87 CO -0.09 0.36 1.59 0.00 0.02 0.00 0.00 175.30 177.17 3kcc s ALA 88 N -0.22 3.70 -0.07 2.13 0.00 0.49 -0.59 121.76 127.20 3kcc s ALA 88 Ca 0.01 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 3kcc s ALA 88 Cb -0.11 -3.65 -0.00 0.00 0.00 0.00 0.00 23.12 19.36 3kcc s ALA 88 CO 0.01 -0.94 -0.03 0.87 0.00 0.00 0.00 175.76 175.68 3kcc h LYS 89 N 7.63 0.00 -6.81 0.00 1.57 -1.06 0.53 116.57 118.43 3kcc h LYS 89 Ca -0.42 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.89 3kcc h LYS 89 Cb 1.20 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.56 3kcc h LYS 89 CO 0.92 0.00 -0.04 0.95 -0.57 0.00 0.00 179.45 180.71 3kcc s THR 90 N -1.47 2.34 0.43 -0.16 -4.23 -1.18 -4.17 115.64 107.21 3kcc s THR 90 Ca -0.02 -0.81 -0.25 0.00 -1.18 0.00 0.00 61.69 59.43 3kcc s THR 90 Cb 0.00 -2.53 -0.08 0.00 1.34 0.00 0.00 72.50 71.23 3kcc s THR 90 CO 0.03 0.00 1.29 0.00 -0.54 0.00 0.00 174.62 175.41 3kcc s ALA 91 N -2.80 3.16 0.05 3.99 0.00 -1.26 -4.08 121.76 120.82 3kcc s ALA 91 Ca 0.62 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.86 3kcc s ALA 91 Cb -0.07 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3kcc s ALA 91 CO 0.40 -0.89 -0.21 0.00 0.00 0.00 0.00 175.76 175.06 3kcc s GLU 93 N -1.28 3.41 -0.11 0.00 4.04 0.24 0.70 118.70 125.70 3kcc s GLU 93 Ca 0.08 -0.64 0.01 0.00 0.04 0.00 0.00 54.97 54.46 3kcc s GLU 93 Cb -0.09 -3.32 0.02 0.00 0.02 0.00 0.00 34.13 30.76 3kcc s GLU 93 CO 0.02 -0.29 -0.14 0.08 -1.84 0.00 0.00 175.26 173.09 3kcc s VAL 94 N 1.56 1.43 0.22 1.83 1.01 0.82 -0.96 120.40 126.31 3kcc s VAL 94 Ca 0.05 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 3kcc s VAL 94 Cb -0.16 -1.33 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 3kcc s VAL 94 CO 0.02 0.43 0.88 0.00 0.00 0.00 0.00 175.10 176.43 3kcc s ALA 95 N 1.11 3.37 0.02 5.51 0.00 0.59 -1.21 121.76 131.15 3kcc s ALA 95 Ca -0.04 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.49 3kcc s ALA 95 Cb -0.14 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3kcc s ALA 95 CO -0.03 0.24 -0.17 -2.00 0.00 0.00 0.00 175.76 173.80 3kcc s GLU 96 N -1.26 1.20 -0.20 0.00 2.56 0.38 -0.43 118.70 120.95 3kcc s GLU 96 Ca 0.40 -0.74 -0.17 0.00 0.00 0.00 0.00 54.97 54.47 3kcc s GLU 96 Cb -0.24 -1.22 0.05 0.00 2.00 0.00 0.00 34.13 34.73 3kcc s GLU 96 CO 0.29 0.32 0.51 -1.50 -0.56 0.00 0.00 175.26 174.32 3kcc s ILE 97 N -0.65 -0.00 0.64 -3.70 2.07 -0.49 -1.15 121.20 117.92 3kcc s ILE 97 Ca 0.05 0.01 -0.18 0.00 -1.41 0.00 0.00 60.65 59.13 3kcc s ILE 97 Cb -0.07 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.78 3kcc s ILE 97 CO 0.01 0.01 1.22 -0.94 -1.91 0.00 0.00 174.94 173.32 3kcc s SER 98 N 0.52 4.83 0.24 4.50 1.04 -1.26 -0.34 113.70 123.23 3kcc s SER 98 Ca -0.02 2.41 -0.04 0.00 0.48 0.00 0.00 55.95 58.78 3kcc s SER 98 Cb -0.04 -2.60 0.38 0.00 0.10 0.00 0.00 66.02 63.86 3kcc s SER 98 CO -0.03 -1.84 1.82 1.88 0.98 0.00 0.00 173.24 176.06 3kcc h TYR 99 N 0.49 0.91 -0.16 5.02 0.99 -1.64 -1.57 116.97 121.01 3kcc h TYR 99 Ca -0.50 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.30 3kcc h TYR 99 Cb 1.30 -0.28 -0.04 0.00 1.00 0.00 0.00 36.73 38.72 3kcc h TYR 99 CO 0.46 0.40 -0.06 0.87 -0.00 0.00 0.00 178.16 179.83 3kcc h LYS 100 N 0.85 -0.03 -0.67 4.88 1.57 -1.91 -0.49 116.57 120.77 3kcc h LYS 100 Ca 0.39 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.11 3kcc h LYS 100 Cb 0.31 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3kcc h LYS 100 CO -0.22 -0.02 0.15 -0.22 -0.57 0.00 0.00 179.45 178.56 3kcc h LYS 101 N -0.03 1.07 -0.64 3.15 3.64 -1.86 -2.79 116.57 119.10 3kcc h LYS 101 Ca 0.09 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 3kcc h LYS 101 Cb 0.16 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3kcc h LYS 101 CO -0.19 0.96 0.21 0.35 -2.27 0.00 0.00 179.45 178.51 3kcc h PHE 102 N 1.02 1.03 -0.35 1.91 3.57 -0.85 -2.04 116.94 121.22 3kcc h PHE 102 Ca 0.21 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3kcc h PHE 102 Cb 0.38 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3kcc h PHE 102 CO 0.03 0.83 0.23 0.00 -2.23 0.00 0.00 178.31 177.17 3kcc h ARG 103 N 0.92 0.41 -0.48 1.11 3.08 -0.86 -0.61 114.38 117.96 3kcc h ARG 103 Ca 0.21 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 3kcc h ARG 103 Cb 0.28 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3kcc h ARG 103 CO -0.01 0.27 -0.06 1.96 -1.07 0.00 0.00 179.97 181.07 3kcc h GLN 104 N 0.43 0.89 -0.55 0.04 4.20 -1.18 -3.09 115.11 115.84 3kcc h GLN 104 Ca 0.13 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 3kcc h GLN 104 Cb 0.02 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3kcc h GLN 104 CO -0.03 0.96 0.26 -0.07 -0.67 0.00 0.00 178.83 179.27 3kcc h LEU 105 N 0.74 0.70 -0.69 1.46 3.38 -0.46 -2.69 115.31 117.75 3kcc h LEU 105 Ca 0.13 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3kcc h LEU 105 Cb 0.59 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3kcc h LEU 105 CO 0.04 0.60 0.43 0.40 0.09 0.00 0.00 178.44 180.00 3kcc h ILE 106 N 0.78 1.11 -0.09 1.22 2.04 -1.21 -1.02 117.51 120.33 3kcc h ILE 106 Ca 0.19 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3kcc h ILE 106 Cb 0.09 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3kcc h ILE 106 CO -0.03 0.16 -0.08 1.56 0.00 0.00 0.00 178.15 179.76 3kcc h GLN 107 N 0.86 0.14 -0.01 2.37 1.08 -1.47 -2.06 115.11 116.01 3kcc h GLN 107 Ca 0.27 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.44 3kcc h GLN 107 Cb -0.00 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 3kcc h GLN 107 CO -0.10 0.23 -0.02 0.28 -0.95 0.00 0.00 178.83 178.27 3kcc h VAL 108 N 0.14 1.44 -1.90 -0.54 2.07 -1.21 -3.44 116.25 112.80 3kcc h VAL 108 Ca 0.03 -1.32 -0.24 0.00 0.82 0.00 0.00 66.70 65.99 3kcc h VAL 108 Cb 0.23 2.31 -0.31 0.00 -1.52 0.00 0.00 31.29 32.00 3kcc h VAL 108 CO 0.01 0.35 -0.57 0.21 0.02 0.00 0.00 177.57 177.59 3kcc s ASN 109 N -5.81 0.89 0.00 0.57 3.84 -0.47 -5.02 114.94 108.94 3kcc s ASN 109 Ca -0.16 -0.47 0.12 0.00 0.21 0.00 0.00 52.86 52.56 3kcc s ASN 109 Cb 0.01 0.86 0.59 0.00 -0.55 0.00 0.00 41.25 42.17 3kcc s ASN 109 CO 0.69 -0.36 1.34 -2.65 -2.79 0.00 0.00 177.10 173.32 3kcc n PRO 110 N 5.34 0.12 0.16 0.43 -0.02 -0.79 -2.37 135.00 137.87 3kcc n PRO 110 Ca -0.01 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.79 3kcc n PRO 110 Cb 0.48 -1.50 0.64 0.00 -0.02 0.00 0.00 33.50 33.10 3kcc n PRO 110 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3kcc h ASP 111 N 0.00 0.04 -0.18 2.55 3.58 -1.94 0.68 116.42 121.15 3kcc h ASP 111 Ca 0.00 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 3kcc h ASP 111 Cb 0.15 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3kcc h ASP 111 CO 0.00 0.03 -0.14 -0.29 -2.88 0.00 0.00 179.24 175.96 3kcc h ILE 112 N 0.05 1.24 -0.08 2.25 6.09 -1.84 -0.27 117.51 124.95 3kcc h ILE 112 Ca 0.09 -1.09 -0.18 0.00 -1.37 0.00 0.00 64.86 62.30 3kcc h ILE 112 Cb 0.29 1.14 -0.00 0.00 0.47 0.00 0.00 36.82 38.72 3kcc h ILE 112 CO -0.01 0.36 -0.72 0.25 -3.07 0.00 0.00 178.15 174.97 3kcc h LEU 113 N 0.52 0.49 -0.80 2.19 5.85 -1.24 -2.58 115.31 119.74 3kcc h LEU 113 Ca 0.09 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3kcc h LEU 113 Cb 0.54 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3kcc h LEU 113 CO 0.03 1.05 0.51 0.24 -0.34 0.00 0.00 178.44 179.94 3kcc h MET 114 N 0.29 0.98 -0.59 1.25 2.86 -0.45 0.21 114.93 119.47 3kcc h MET 114 Ca -0.03 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3kcc h MET 114 Cb 1.29 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3kcc h MET 114 CO 0.12 0.65 0.24 0.00 1.06 0.00 0.00 176.91 178.98 3kcc h ARG 115 N 1.01 0.89 -0.22 1.72 3.08 -0.98 0.39 114.38 120.28 3kcc h ARG 115 Ca 0.31 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 3kcc h ARG 115 Cb -0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3kcc h ARG 115 CO -0.10 0.76 -0.07 1.25 -1.07 0.00 0.00 179.97 180.74 3kcc h LEU 116 N 0.82 0.44 -1.38 3.04 6.46 -1.15 -2.96 115.31 120.59 3kcc h LEU 116 Ca 0.20 -0.38 -0.06 0.00 -0.12 0.00 0.00 57.88 57.52 3kcc h LEU 116 Cb 0.20 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 3kcc h LEU 116 CO -0.02 0.72 -0.25 0.28 -0.62 0.00 0.00 178.44 178.56 3kcc h SER 117 N 0.16 0.09 -0.84 1.25 0.02 -0.46 -1.55 113.55 112.22 3kcc h SER 117 Ca 0.05 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3kcc h SER 117 Cb 0.53 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 3kcc h SER 117 CO 0.02 0.35 0.55 0.00 -1.14 0.00 0.00 176.83 176.62 3kcc h ALA 118 N 1.66 1.42 -0.18 3.77 0.00 -0.80 0.48 119.26 125.60 3kcc h ALA 118 Ca 0.01 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3kcc h ALA 118 Cb 0.49 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kcc h ALA 118 CO 0.03 0.53 -0.73 1.96 0.00 0.00 0.00 179.25 181.05 3kcc h GLN 119 N 1.12 0.81 -0.98 0.00 4.20 -1.15 -1.96 115.11 117.14 3kcc h GLN 119 Ca 0.31 -0.63 0.01 0.00 0.06 0.00 0.00 58.65 58.40 3kcc h GLN 119 Cb -0.10 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3kcc h GLN 119 CO -0.07 1.24 0.65 0.52 -0.67 0.00 0.00 178.83 180.49 3kcc h MET 120 N 0.57 1.29 -0.20 1.46 2.86 -0.80 0.28 114.93 120.39 3kcc h MET 120 Ca -0.04 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3kcc h MET 120 Cb 1.35 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 3kcc h MET 120 CO 0.15 0.86 0.08 0.00 1.06 0.00 0.00 176.91 179.05 3kcc h ALA 121 N 1.39 0.26 -0.72 6.32 0.00 -0.81 -0.77 119.26 124.93 3kcc h ALA 121 Ca 0.36 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3kcc h ALA 121 Cb -0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3kcc h ALA 121 CO -0.08 -0.14 0.47 -0.09 0.00 0.00 0.00 179.25 179.41 3kcc h ARG 122 N 0.17 0.93 -0.71 0.00 9.65 -0.95 -1.76 114.38 121.70 3kcc h ARG 122 Ca 0.07 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 3kcc h ARG 122 Cb 0.19 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 3kcc h ARG 122 CO -0.00 0.62 0.25 0.00 2.80 0.00 0.00 179.97 183.63 3kcc h ARG 123 N 0.96 1.09 -0.53 0.20 3.08 -0.73 -0.70 114.38 117.75 3kcc h ARG 123 Ca 0.27 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 3kcc h ARG 123 Cb -0.09 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 3kcc h ARG 123 CO -0.07 0.91 -0.03 1.25 -1.07 0.00 0.00 179.97 180.96 3kcc h LEU 124 N 1.05 0.90 0.04 3.04 5.85 -0.79 0.12 115.31 125.52 3kcc h LEU 124 Ca 0.24 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3kcc h LEU 124 Cb 0.26 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3kcc h LEU 124 CO -0.01 0.98 -0.03 1.56 -0.34 0.00 0.00 178.44 180.60 3kcc h GLN 125 N 0.84 -0.06 -0.52 1.25 4.20 -0.78 -0.09 115.11 119.94 3kcc h GLN 125 Ca 0.15 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 3kcc h GLN 125 Cb 0.55 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3kcc h GLN 125 CO 0.03 -0.04 0.21 0.28 -0.67 0.00 0.00 178.83 178.64 3kcc h VAL 126 N -0.07 1.21 -0.12 -0.54 2.07 -0.94 -1.65 116.25 116.22 3kcc h VAL 126 Ca -0.00 -0.66 -0.15 0.00 0.82 0.00 0.00 66.70 66.71 3kcc h VAL 126 Cb 0.06 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3kcc h VAL 126 CO 0.00 0.25 -0.58 0.74 0.02 0.00 0.00 177.57 178.01 3kcc h THR 127 N 0.70 1.35 -0.70 2.57 2.02 -0.66 -1.71 112.91 116.48 3kcc h THR 127 Ca 0.18 -1.88 -0.07 0.00 0.77 0.00 0.00 66.41 65.40 3kcc h THR 127 Cb 0.19 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 3kcc h THR 127 CO -0.02 0.57 0.18 0.28 0.37 0.00 0.00 175.52 176.90 3kcc h SER 128 N 0.29 1.05 -0.78 4.18 0.02 -0.84 -1.31 113.55 116.16 3kcc h SER 128 Ca -0.00 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3kcc h SER 128 Cb 1.09 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 3kcc h SER 128 CO 0.10 1.01 0.41 -0.08 -1.14 0.00 0.00 176.83 177.12 3kcc h GLU 129 N 1.05 1.12 -0.92 3.45 4.81 -0.93 -2.20 114.58 120.96 3kcc h GLU 129 Ca 0.22 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3kcc h GLU 129 Cb 0.36 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 3kcc h GLU 129 CO 0.00 0.84 0.60 0.87 -0.73 0.00 0.00 179.01 180.59 3kcc h LYS 130 N 1.12 1.17 -0.10 1.92 1.57 -0.63 0.16 116.57 121.76 3kcc h LYS 130 Ca 0.28 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3kcc h LYS 130 Cb 0.07 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3kcc h LYS 130 CO -0.04 0.77 -0.02 0.28 -0.57 0.00 0.00 179.45 179.87 3kcc h VAL 131 N 1.20 0.90 -0.70 0.50 2.07 -0.83 -0.19 116.25 119.20 3kcc h VAL 131 Ca 0.35 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.89 3kcc h VAL 131 Cb -0.07 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3kcc h VAL 131 CO -0.10 0.00 0.46 1.23 0.02 0.00 0.00 177.57 179.18 3kcc h GLY 132 N 0.00 1.00 1.00 2.17 0.00 -0.80 -1.29 103.07 105.15 3kcc h GLY 132 Ca 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3kcc h GLY 132 CO -0.10 0.33 0.38 3.43 0.00 0.00 0.00 176.54 180.58 3kcc h ASN 133 N 0.92 0.77 0.28 0.19 -0.26 -0.50 0.38 115.58 117.35 3kcc h ASN 133 Ca 0.27 -0.06 -0.10 0.00 -0.56 0.00 0.00 56.30 55.84 3kcc h ASN 133 Cb -0.06 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 3kcc h ASN 133 CO -0.08 0.60 -0.42 -0.07 -1.06 0.00 0.00 177.43 176.40 3kcc h LEU 134 N 0.86 0.20 0.05 1.61 3.38 -0.64 -1.41 115.31 119.37 3kcc h LEU 134 Ca 0.23 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.86 3kcc h LEU 134 Cb -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3kcc h LEU 134 CO -0.04 0.60 -1.15 0.00 0.09 0.00 0.00 178.44 177.94 3kcc h ALA 135 N 1.41 0.19 0.00 1.53 0.00 -0.80 -3.40 119.26 118.19 3kcc h ALA 135 Ca 0.01 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 53.96 3kcc h ALA 135 Cb 0.82 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3kcc h ALA 135 CO 0.06 1.01 -1.82 1.19 0.00 0.00 0.00 179.25 179.69 3kcc n PHE 136 N -3.52 0.00 -4.43 0.00 3.72 0.08 -5.02 117.46 108.29 3kcc n PHE 136 Ca -0.06 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.03 3kcc n PHE 136 Cb 0.98 -0.49 -0.11 0.00 -0.94 0.00 0.00 39.48 38.92 3kcc n PHE 136 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3kcc s LEU 137 N -4.45 2.94 1.02 4.37 1.43 -0.54 -5.07 118.68 118.38 3kcc s LEU 137 Ca -0.06 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 3kcc s LEU 137 Cb 0.08 -1.72 0.23 0.00 0.03 0.00 0.00 46.19 44.81 3kcc s LEU 137 CO 0.64 0.23 1.31 -1.48 0.23 0.00 0.00 176.35 177.28 3kcc s LEU 138 N -1.73 2.42 0.18 1.79 0.05 -1.26 -4.73 118.68 115.39 3kcc s LEU 138 Ca 0.18 0.24 -0.11 0.00 0.05 0.00 0.00 54.13 54.49 3kcc s LEU 138 Cb -0.11 -2.17 0.08 0.00 -2.05 0.00 0.00 46.19 41.95 3kcc s LEU 138 CO 0.09 -3.08 1.73 1.62 -0.55 0.00 0.00 176.35 176.16 3kcc h VAL 139 N -1.88 1.23 -0.44 1.48 3.04 -1.97 -0.25 116.25 117.46 3kcc h VAL 139 Ca -0.44 -0.73 0.03 0.00 -1.01 0.00 0.00 66.70 64.54 3kcc h VAL 139 Cb 1.23 0.56 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 3kcc h VAL 139 CO 0.33 0.29 0.25 0.74 -1.01 0.00 0.00 177.57 178.16 3kcc h THR 140 N 0.86 1.02 -0.70 3.17 2.02 -1.99 -0.64 112.91 116.64 3kcc h THR 140 Ca 0.20 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 3kcc h THR 140 Cb 0.21 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3kcc h THR 140 CO -0.02 0.09 0.29 1.23 0.37 0.00 0.00 175.52 177.48 3kcc h GLY 141 N 0.50 1.11 1.00 2.16 0.00 -1.79 0.13 103.07 106.17 3kcc h GLY 141 Ca 0.18 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 3kcc h GLY 141 CO -0.10 0.55 -0.04 3.21 0.00 0.00 0.00 176.54 180.15 3kcc h ARG 142 N 1.01 0.83 -0.56 4.80 3.08 -0.64 -0.44 114.38 122.47 3kcc h ARG 142 Ca 0.24 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3kcc h ARG 142 Cb 0.18 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3kcc h ARG 142 CO -0.02 0.91 0.28 0.82 -1.07 0.00 0.00 179.97 180.88 3kcc h ILE 143 N 0.68 1.20 -0.38 2.04 2.04 -0.86 -0.65 117.51 121.59 3kcc h ILE 143 Ca 0.12 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.45 3kcc h ILE 143 Cb 0.56 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3kcc h ILE 143 CO 0.03 0.23 0.19 0.00 0.00 0.00 0.00 178.15 178.60 3kcc h ALA 144 N 1.11 0.47 -0.37 1.87 0.00 -0.79 -1.15 119.26 120.40 3kcc h ALA 144 Ca 0.19 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3kcc h ALA 144 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kcc h ALA 144 CO -0.03 -0.17 -0.18 0.37 0.00 0.00 0.00 179.25 179.25 3kcc h GLN 145 N 0.40 0.68 -0.46 0.00 5.75 -0.92 -1.22 115.11 119.34 3kcc h GLN 145 Ca 0.16 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3kcc h GLN 145 Cb 0.05 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 3kcc h GLN 145 CO -0.10 0.82 0.31 1.15 -2.65 0.00 0.00 178.83 178.36 3kcc h THR 146 N 0.61 1.12 -0.58 2.39 2.02 -0.69 0.22 112.91 118.00 3kcc h THR 146 Ca 0.10 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 3kcc h THR 146 Cb 0.65 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3kcc h THR 146 CO 0.05 0.11 0.35 -0.07 0.37 0.00 0.00 175.52 176.33 3kcc h LEU 147 N 0.62 0.70 -0.75 2.58 3.38 -0.91 -0.77 115.31 120.17 3kcc h LEU 147 Ca 0.17 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3kcc h LEU 147 Cb -0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3kcc h LEU 147 CO -0.04 0.56 0.42 -0.07 0.09 0.00 0.00 178.44 179.40 3kcc h LEU 148 N 0.79 0.93 -0.37 1.67 3.38 -0.83 -1.09 115.31 119.79 3kcc h LEU 148 Ca 0.21 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3kcc h LEU 148 Cb -0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3kcc h LEU 148 CO -0.04 0.75 0.10 0.78 0.09 0.00 0.00 178.44 180.13 3kcc h ASN 149 N 1.03 0.55 -0.48 -0.43 2.35 -0.16 -2.72 115.58 115.72 3kcc h ASN 149 Ca 0.26 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3kcc h ASN 149 Cb 0.02 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3kcc h ASN 149 CO -0.04 0.63 0.19 -0.07 -1.65 0.00 0.00 177.43 176.49 3kcc h LEU 150 N 0.45 0.71 -2.33 1.61 3.38 -0.94 -1.99 115.31 116.21 3kcc h LEU 150 Ca 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kcc h LEU 150 Cb 0.28 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kcc h LEU 150 CO -0.00 0.65 -0.02 0.00 0.09 0.00 0.00 178.44 179.17 3kcc h ALA 151 N 1.45 1.06 0.00 1.53 0.00 -0.89 -2.32 119.26 120.09 3kcc h ALA 151 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kcc h ALA 151 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kcc h ALA 151 CO -0.01 0.02 -0.66 0.87 0.00 0.00 0.00 179.25 179.47 3kcc h LYS 152 N 0.00 0.00 -7.25 0.00 1.57 -1.18 -3.45 116.57 106.25 3kcc h LYS 152 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3kcc h LYS 152 Cb 0.22 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.66 3kcc h LYS 152 CO 0.00 0.00 0.33 -0.65 -0.57 0.00 0.00 179.45 178.56 3kcc s GLN 153 N -3.25 2.17 0.50 3.15 -0.21 -0.87 -4.92 119.66 116.24 3kcc s GLN 153 Ca 0.04 1.40 0.16 0.00 0.02 0.00 0.00 55.36 56.98 3kcc s GLN 153 Cb 0.11 -1.87 1.22 0.00 1.00 0.00 0.00 33.01 33.47 3kcc s GLN 153 CO 0.74 -1.74 2.11 -1.35 -2.12 0.00 0.00 175.29 172.93 3kcc h PRO 154 N -0.79 0.00 -0.01 2.91 0.11 -1.92 -2.54 132.00 129.75 3kcc h PRO 154 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kcc h PRO 154 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kcc h PRO 154 CO 0.50 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3kcc n ASP 155 N -4.46 0.63 -4.74 -2.05 5.75 -1.26 -4.82 116.55 105.60 3kcc n ASP 155 Ca -0.03 -1.25 -0.41 0.00 -0.01 0.00 0.00 54.79 53.09 3kcc n ASP 155 Cb 0.13 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 40.17 3kcc n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kcc s ALA 156 N -1.99 3.36 -0.07 2.12 0.00 -0.96 -4.88 121.76 119.35 3kcc s ALA 156 Ca 0.42 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 3kcc s ALA 156 Cb 0.21 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3kcc s ALA 156 CO 0.34 -0.12 0.10 -1.64 0.00 0.00 0.00 175.76 174.44 3kcc s MET 157 N -0.71 3.25 0.37 0.00 -1.94 -0.22 -4.92 119.30 115.13 3kcc s MET 157 Ca 0.47 -0.30 -0.27 0.00 -1.71 0.00 0.00 55.69 53.87 3kcc s MET 157 Cb -0.29 -3.01 -0.09 0.00 2.01 0.00 0.00 34.83 33.45 3kcc s MET 157 CO 0.36 0.72 1.24 0.99 -0.01 0.00 0.00 175.02 178.31 3kcc s THR 158 N -1.08 2.92 0.01 2.05 2.01 -1.26 -0.07 115.64 120.21 3kcc s THR 158 Ca 0.18 0.85 -0.06 0.00 0.31 0.00 0.00 61.69 62.97 3kcc s THR 158 Cb -0.12 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 68.88 3kcc s THR 158 CO 0.08 0.14 0.11 -2.28 -0.69 0.00 0.00 174.62 171.99 3kcc s HIS 159 N -1.26 0.09 0.42 4.92 5.04 0.11 -4.77 115.29 119.84 3kcc s HIS 159 Ca 0.53 -0.23 0.20 0.00 -1.54 0.00 0.00 55.06 54.02 3kcc s HIS 159 Cb -0.35 -0.08 1.14 0.00 0.04 0.00 0.00 32.58 33.32 3kcc s HIS 159 CO 0.46 -0.28 1.81 -1.35 -2.34 0.00 0.00 174.74 173.04 3kcc h PRO 160 N 4.24 0.35 -0.01 2.88 0.11 -2.01 -2.17 132.00 135.40 3kcc h PRO 160 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kcc h PRO 160 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kcc h PRO 160 CO 0.42 0.23 -0.77 -0.25 -0.21 0.00 0.00 178.00 177.42 3kcc n ASP 161 N -4.53 1.33 0.00 -2.05 10.43 -1.26 -5.05 116.55 115.41 3kcc n ASP 161 Ca 0.23 -1.13 0.00 0.00 2.57 0.00 0.00 54.79 56.46 3kcc n ASP 161 Cb 0.83 0.75 0.00 0.00 1.84 0.00 0.00 41.12 44.54 3kcc n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kcc n GLY 162 N 1.47 -0.42 3.51 0.44 0.00 -0.82 -4.21 105.19 105.16 3kcc n GLY 162 Ca 0.06 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 3kcc n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kcc s MET 163 N -1.53 3.63 -0.07 1.61 -1.94 -0.95 -0.71 119.30 119.34 3kcc s MET 163 Ca 0.00 -0.51 -0.16 0.00 -1.71 0.00 0.00 55.69 53.30 3kcc s MET 163 Cb 0.00 -2.91 -0.05 0.00 2.01 0.00 0.00 34.83 33.88 3kcc s MET 163 CO 0.00 0.28 0.43 -1.14 -0.01 0.00 0.00 175.02 174.58 3kcc s GLN 164 N 0.27 4.18 0.29 2.03 0.74 0.90 -0.94 119.66 127.13 3kcc s GLN 164 Ca -0.03 0.41 0.08 0.00 0.05 0.00 0.00 55.36 55.87 3kcc s GLN 164 Cb -0.14 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.56 3kcc s GLN 164 CO 0.03 0.38 -0.09 0.96 -0.55 0.00 0.00 175.29 176.02 3kcc s ILE 165 N -0.07 1.87 -0.24 -2.34 -4.36 0.64 -1.06 121.20 115.64 3kcc s ILE 165 Ca 0.24 -2.18 0.01 0.00 -0.26 0.00 0.00 60.65 58.47 3kcc s ILE 165 Cb -0.16 -2.46 0.06 0.00 1.25 0.00 0.00 42.46 41.16 3kcc s ILE 165 CO 0.11 -0.31 -0.07 -0.75 0.24 0.00 0.00 174.94 174.16 3kcc s LYS 166 N -3.67 1.81 -0.14 0.37 2.47 -1.26 -1.91 119.74 117.41 3kcc s LYS 166 Ca 0.30 -1.09 -0.29 0.00 -1.56 0.00 0.00 55.97 53.32 3kcc s LYS 166 Cb 0.02 -2.67 0.09 0.00 -1.46 0.00 0.00 37.83 33.81 3kcc s LYS 166 CO 0.13 -0.59 0.82 -1.50 0.16 0.00 0.00 175.35 174.38 3kcc s ILE 167 N 1.31 0.00 0.47 5.43 2.07 -1.09 -5.06 121.20 124.32 3kcc s ILE 167 Ca -0.07 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.14 3kcc s ILE 167 Cb -0.19 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.37 3kcc s ILE 167 CO -0.06 0.00 0.75 0.42 -1.91 0.00 0.00 174.94 174.14 3kcc s THR 168 N -0.83 4.70 0.33 4.00 -4.23 -1.26 -4.62 115.64 113.73 3kcc s THR 168 Ca -0.05 -0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 3kcc s THR 168 Cb -0.01 -3.78 0.09 0.00 1.34 0.00 0.00 72.50 70.14 3kcc s THR 168 CO 0.05 -0.70 1.79 0.03 -0.54 0.00 0.00 174.62 175.24 3kcc h ARG 169 N 0.29 0.24 -0.52 3.99 3.08 -1.92 -1.64 114.38 117.89 3kcc h ARG 169 Ca -0.47 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.47 3kcc h ARG 169 Cb 1.22 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 3kcc h ARG 169 CO 0.61 0.52 0.24 0.37 -1.07 0.00 0.00 179.97 180.63 3kcc h GLN 170 N 0.21 0.76 -0.34 0.04 4.15 -1.94 -1.15 115.11 116.85 3kcc h GLN 170 Ca 0.03 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3kcc h GLN 170 Cb 0.63 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 3kcc h GLN 170 CO 0.05 0.65 0.16 0.93 -1.93 0.00 0.00 178.83 178.68 3kcc h GLU 171 N 0.70 0.49 -0.55 1.69 5.08 -1.84 0.38 114.58 120.52 3kcc h GLU 171 Ca 0.18 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3kcc h GLU 171 Cb 0.15 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3kcc h GLU 171 CO -0.02 0.46 0.27 0.82 -1.00 0.00 0.00 179.01 179.54 3kcc h ILE 172 N 0.41 0.93 -0.72 3.13 2.04 -1.22 -0.59 117.51 121.49 3kcc h ILE 172 Ca 0.12 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3kcc h ILE 172 Cb 0.13 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 3kcc h ILE 172 CO -0.01 0.09 0.41 1.23 0.00 0.00 0.00 178.15 179.87 3kcc h GLY 173 N 0.52 1.06 1.96 5.37 0.00 -0.58 -0.85 103.07 110.56 3kcc h GLY 173 Ca 0.25 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 3kcc h GLY 173 CO -0.19 0.18 -0.30 1.46 0.00 0.00 0.00 176.54 177.69 3kcc h GLN 174 N 0.76 0.04 -0.07 4.80 4.20 -0.39 -0.56 115.11 123.89 3kcc h GLN 174 Ca 0.32 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.91 3kcc h GLN 174 Cb 0.19 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 3kcc h GLN 174 CO -0.18 0.34 -0.39 0.82 -0.67 0.00 0.00 178.83 178.76 3kcc h ILE 175 N 0.04 1.42 0.00 2.54 2.04 -0.41 0.52 117.51 123.66 3kcc h ILE 175 Ca 0.00 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.07 3kcc h ILE 175 Cb 0.56 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 3kcc h ILE 175 CO 0.04 0.52 -0.89 1.33 0.00 0.00 0.00 178.15 179.15 3kcc n VAL 176 N -4.36 0.19 -1.42 1.67 0.24 -0.39 -4.76 118.33 109.50 3kcc n VAL 176 Ca -0.09 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3kcc n VAL 176 Cb 0.54 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 3kcc n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kcc n GLY 177 N 1.38 0.59 3.59 7.63 0.00 -0.29 -4.99 105.19 113.09 3kcc n GLY 177 Ca 0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 3kcc n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcc s SER 179 N -3.03 5.18 0.44 0.00 1.04 -1.26 -4.31 113.70 111.75 3kcc s SER 179 Ca 0.23 1.74 0.13 0.00 0.48 0.00 0.00 55.95 58.52 3kcc s SER 179 Cb -0.01 -2.51 0.97 0.00 0.10 0.00 0.00 66.02 64.57 3kcc s SER 179 CO 0.10 -1.58 1.99 0.08 0.98 0.00 0.00 173.24 174.81 3kcc h ARG 180 N -0.59 0.07 -0.39 4.02 0.11 -1.90 -1.72 114.38 113.99 3kcc h ARG 180 Ca -0.44 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 59.53 3kcc h ARG 180 Cb 1.22 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 3kcc h ARG 180 CO 0.55 0.22 -0.11 0.93 0.10 0.00 0.00 179.97 181.66 3kcc h GLU 181 N 0.07 0.77 -0.27 0.08 3.07 -1.91 -1.57 114.58 114.82 3kcc h GLU 181 Ca 0.01 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 3kcc h GLU 181 Cb 0.30 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3kcc h GLU 181 CO 0.02 0.91 0.17 1.15 -1.40 0.00 0.00 179.01 179.86 3kcc h THR 182 N 0.57 1.06 -0.58 1.13 2.02 -1.78 -1.22 112.91 114.13 3kcc h THR 182 Ca 0.10 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.25 3kcc h THR 182 Cb 0.64 0.68 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 3kcc h THR 182 CO 0.04 0.06 0.16 0.58 0.37 0.00 0.00 175.52 176.73 3kcc h VAL 183 N 0.35 0.71 -0.34 3.16 2.07 -1.18 -0.73 116.25 120.29 3kcc h VAL 183 Ca 0.10 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3kcc h VAL 183 Cb -0.04 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 3kcc h VAL 183 CO -0.02 0.06 0.11 1.23 0.02 0.00 0.00 177.57 178.96 3kcc h GLY 184 N 0.31 0.42 1.00 2.17 0.00 -0.65 0.12 103.07 106.44 3kcc h GLY 184 Ca 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 3kcc h GLY 184 CO -0.35 0.02 0.31 3.21 0.00 0.00 0.00 176.54 179.73 3kcc h ARG 185 N 0.25 0.90 -0.08 4.80 3.08 -0.81 -2.70 114.38 119.82 3kcc h ARG 185 Ca 0.16 -0.13 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 3kcc h ARG 185 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3kcc h ARG 185 CO -0.17 0.71 -0.68 0.82 -1.07 0.00 0.00 179.97 179.59 3kcc h ILE 186 N 0.87 1.38 -0.66 2.04 2.04 -0.65 -2.31 117.51 120.23 3kcc h ILE 186 Ca 0.22 -2.08 -0.04 0.00 1.00 0.00 0.00 64.86 63.95 3kcc h ILE 186 Cb 0.10 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3kcc h ILE 186 CO -0.03 0.62 0.25 -0.07 0.00 0.00 0.00 178.15 178.92 3kcc h LEU 187 N 0.25 0.90 -0.37 1.44 3.38 -0.90 -0.02 115.31 119.98 3kcc h LEU 187 Ca -0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kcc h LEU 187 Cb 1.23 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3kcc h LEU 187 CO 0.11 0.82 0.22 0.50 0.09 0.00 0.00 178.44 180.18 3kcc h LYS 188 N 0.96 0.50 -0.92 1.13 3.64 -1.28 -1.43 116.57 119.16 3kcc h LYS 188 Ca 0.22 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3kcc h LYS 188 Cb 0.21 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 3kcc h LYS 188 CO -0.02 0.38 0.60 1.98 -2.27 0.00 0.00 179.45 180.13 3kcc h MET 189 N 0.48 1.17 -0.12 1.90 4.05 -0.91 -1.70 114.93 119.81 3kcc h MET 189 Ca 0.13 -0.07 -0.12 0.00 -0.28 0.00 0.00 59.70 59.36 3kcc h MET 189 Cb 0.01 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.54 3kcc h MET 189 CO -0.02 0.78 -0.46 -0.07 0.23 0.00 0.00 176.91 177.36 3kcc h LEU 190 N 1.21 0.31 -0.34 3.39 3.38 -0.61 -2.03 115.31 120.62 3kcc h LEU 190 Ca 0.35 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3kcc h LEU 190 Cb -0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kcc h LEU 190 CO -0.09 0.73 0.09 -0.08 0.09 0.00 0.00 178.44 179.17 3kcc h GLU 191 N 0.23 0.53 -0.21 1.13 4.81 -0.96 -2.08 114.58 118.05 3kcc h GLU 191 Ca 0.02 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3kcc h GLU 191 Cb 0.90 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3kcc h GLU 191 CO 0.07 0.58 0.14 -0.44 -0.73 0.00 0.00 179.01 178.64 3kcc h ASP 192 N 0.39 0.13 -0.20 1.04 3.32 -0.81 0.18 116.42 120.47 3kcc h ASP 192 Ca 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3kcc h ASP 192 Cb 0.28 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3kcc h ASP 192 CO -0.00 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 3kcc n GLN 193 N -4.50 1.59 -3.65 3.56 6.02 -0.81 -4.91 117.38 114.68 3kcc n GLN 193 Ca 0.01 -0.77 -0.25 0.00 -0.01 0.00 0.00 57.00 55.98 3kcc n GLN 193 Cb 0.17 -1.26 0.07 0.00 1.02 0.00 0.00 30.24 30.24 3kcc n GLN 193 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kcc n ASN 194 N 0.12 -5.93 -0.02 1.08 5.15 0.63 -4.90 115.26 111.39 3kcc n ASN 194 Ca 0.07 -0.59 0.02 0.00 -0.60 0.00 0.00 54.58 53.48 3kcc n ASN 194 Cb 0.23 -4.83 -0.08 0.00 -0.53 0.00 0.00 39.78 34.58 3kcc n ASN 194 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3kcc n LEU 195 N -4.92 0.00 -4.02 1.20 4.77 -0.80 -4.97 117.00 108.26 3kcc n LEU 195 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3kcc n LEU 195 Cb 0.56 0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 3kcc n LEU 195 CO 0.67 0.08 0.19 0.27 -1.33 0.00 0.00 177.39 177.27 3kcc s ILE 196 N -2.53 0.00 0.05 -0.08 -4.36 -1.24 -1.85 121.20 111.18 3kcc s ILE 196 Ca -0.04 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 3kcc s ILE 196 Cb 0.05 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.21 3kcc s ILE 196 CO 0.41 0.00 -0.04 -0.94 0.24 0.00 0.00 174.94 174.60 3kcc s SER 197 N -3.14 0.56 0.11 4.36 1.04 -0.28 -4.34 113.70 112.01 3kcc s SER 197 Ca 0.26 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 55.98 3kcc s SER 197 Cb -0.01 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 3kcc s SER 197 CO 0.15 -0.41 -0.10 0.00 0.98 0.00 0.00 173.24 173.86 3kcc s ALA 198 N -2.60 1.20 -0.49 5.32 0.00 -1.26 -0.69 121.76 123.24 3kcc s ALA 198 Ca -0.03 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 50.74 3kcc s ALA 198 Cb -0.02 0.02 0.19 0.00 0.00 0.00 0.00 23.12 23.32 3kcc s ALA 198 CO -0.04 -0.04 0.76 -1.01 0.00 0.00 0.00 175.76 175.43 3kcc s HIS 199 N -2.58 -1.49 0.00 0.00 3.76 0.13 -4.99 115.29 110.12 3kcc s HIS 199 Ca 0.08 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 3kcc s HIS 199 Cb -0.02 0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.96 3kcc s HIS 199 CO 0.00 -1.16 0.00 0.41 -0.85 0.00 0.00 174.74 173.14 3kcc n GLY 200 N 3.04 2.19 0.01 -2.22 0.00 -1.26 -2.52 105.19 104.42 3kcc n GLY 200 Ca 0.17 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3kcc n GLY 200 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kcc n LYS 201 N 0.00 0.48 -5.00 1.61 4.81 -1.26 -4.94 118.16 113.86 3kcc n LYS 201 Ca 0.00 -0.67 -0.32 0.00 -0.87 0.00 0.00 58.31 56.45 3kcc n LYS 201 Cb 0.00 -0.58 -0.15 0.00 0.02 0.00 0.00 35.03 34.32 3kcc n LYS 201 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3kcc s THR 202 N -0.17 2.66 -0.05 3.15 2.01 -1.05 -2.69 115.64 119.51 3kcc s THR 202 Ca 0.00 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.20 3kcc s THR 202 Cb 0.00 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.46 3kcc s THR 202 CO 0.00 0.56 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.70 3kcc s ILE 203 N -0.09 1.32 -0.28 1.82 1.01 -0.80 -0.69 121.20 123.50 3kcc s ILE 203 Ca -0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 3kcc s ILE 203 Cb -0.14 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 3kcc s ILE 203 CO 0.04 0.39 0.11 -0.69 0.00 0.00 0.00 174.94 174.79 3kcc s VAL 204 N 0.22 4.50 -0.44 2.92 1.01 0.13 -0.26 120.40 128.48 3kcc s VAL 204 Ca -0.07 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 3kcc s VAL 204 Cb -0.13 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.09 3kcc s VAL 204 CO 0.03 0.22 0.73 -0.69 0.00 0.00 0.00 175.10 175.39 3kcc s VAL 205 N 1.62 4.73 -2.00 2.92 1.01 -0.11 -1.13 120.40 127.44 3kcc s VAL 205 Ca 0.06 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3kcc s VAL 205 Cb -0.16 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 32.02 3kcc s VAL 205 CO 0.05 -0.65 0.63 -1.22 0.00 0.00 0.00 175.10 173.91