#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2x n LYS 3 N 0.00 2.12 -1.83 1.61 5.02 -1.26 -5.02 118.16 118.80 1k2x n LYS 3 Ca 0.00 -1.72 -0.41 0.00 -2.02 0.00 0.00 58.31 54.16 1k2x n LYS 3 Cb 0.00 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 1k2x n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k2x s ALA 4 N -1.48 3.59 -0.12 7.82 0.00 -1.26 -5.00 121.76 125.32 1k2x s ALA 4 Ca 0.34 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 53.55 1k2x s ALA 4 Cb 0.18 -3.60 0.10 0.00 0.00 0.00 0.00 23.12 19.80 1k2x s ALA 4 CO 0.25 -1.01 0.86 0.54 0.00 0.00 0.00 175.76 176.40 1k2x s VAL 5 N -0.95 0.00 0.06 0.00 0.11 -1.26 -5.07 120.40 113.29 1k2x s VAL 5 Ca 0.54 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.65 1k2x s VAL 5 Cb -0.46 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.36 1k2x s VAL 5 CO 0.60 0.00 -0.17 -0.51 -3.33 0.00 0.00 175.10 171.69 1k2x s ILE 6 N -1.11 1.33 0.04 7.04 2.07 -1.26 -5.11 121.20 124.20 1k2x s ILE 6 Ca -0.06 -1.20 0.03 0.00 -1.41 0.00 0.00 60.65 58.02 1k2x s ILE 6 Cb -0.00 -1.21 -0.02 0.00 0.13 0.00 0.00 42.46 41.36 1k2x s ILE 6 CO 0.05 -0.01 -0.10 0.00 -1.91 0.00 0.00 174.94 172.96 1k2x s ALA 7 N -0.98 0.82 0.12 1.50 0.00 -1.26 -5.05 121.76 116.90 1k2x s ALA 7 Ca 0.03 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1k2x s ALA 7 Cb -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1k2x s ALA 7 CO 0.02 0.09 -0.08 0.96 0.00 0.00 0.00 175.76 176.75 1k2x s ILE 8 N -1.09 0.86 0.04 0.00 -4.36 -1.26 -5.11 121.20 110.28 1k2x s ILE 8 Ca -0.04 -1.98 -0.02 0.00 -0.26 0.00 0.00 60.65 58.35 1k2x s ILE 8 Cb -0.09 -1.75 -0.03 0.00 1.25 0.00 0.00 42.46 41.85 1k2x s ILE 8 CO 0.01 -0.83 -0.00 -1.38 0.24 0.00 0.00 174.94 172.98 1k2x s HIS 9 N -3.52 0.36 -0.15 1.37 -3.43 -1.26 -5.04 115.29 103.61 1k2x s HIS 9 Ca 0.14 -0.76 0.15 0.00 -0.80 0.00 0.00 55.06 53.78 1k2x s HIS 9 Cb 0.04 -0.27 0.35 0.00 -1.43 0.00 0.00 32.58 31.27 1k2x s HIS 9 CO -0.03 -0.31 1.18 0.41 -2.00 0.00 0.00 174.74 173.99 1k2x n GLY 10 N 0.77 4.54 0.00 -1.38 0.00 -1.26 -5.09 105.19 102.78 1k2x n GLY 10 Ca -0.19 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1k2x n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2x n GLY 11 N -1.09 2.36 3.60 -0.02 0.00 -1.26 -4.73 105.19 104.05 1k2x n GLY 11 Ca 0.16 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1k2x n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2x s ALA 12 N -1.48 3.02 0.00 4.61 0.00 -1.26 -4.80 121.76 121.86 1k2x s ALA 12 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1k2x s ALA 12 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1k2x s ALA 12 CO 0.00 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.82 1k2x n GLY 13 N 0.66 2.49 1.86 0.00 0.00 -1.26 -4.90 105.19 104.04 1k2x n GLY 13 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1k2x n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2x n ALA 14 N -1.67 3.80 -3.37 4.61 0.00 -1.26 -4.93 120.51 117.69 1k2x n ALA 14 Ca 0.00 -1.86 -0.34 0.00 0.00 0.00 0.00 53.44 51.24 1k2x n ALA 14 Cb 0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.19 1k2x n ALA 14 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1k2x s ILE 15 N -2.65 3.19 -0.17 0.00 1.01 -1.26 -5.09 121.20 116.24 1k2x s ILE 15 Ca 0.54 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 1k2x s ILE 15 Cb 0.40 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 40.52 1k2x s ILE 15 CO 0.17 0.47 0.03 -0.55 0.00 0.00 0.00 174.94 175.06 1k2x s SER 16 N 0.99 2.65 0.25 3.58 0.15 -1.26 -5.03 113.70 115.03 1k2x s SER 16 Ca -0.01 -0.68 -0.03 0.00 0.70 0.00 0.00 55.95 55.94 1k2x s SER 16 Cb -0.15 -0.56 0.46 0.00 -1.71 0.00 0.00 66.02 64.07 1k2x s SER 16 CO -0.01 -0.29 1.79 -0.09 1.20 0.00 0.00 173.24 175.85 1k2x h ARG 17 N 8.26 0.69 0.00 5.44 9.65 -1.98 -1.05 114.38 135.39 1k2x h ARG 17 Ca -0.17 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 1k2x h ARG 17 Cb 1.12 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.54 1k2x h ARG 17 CO 0.32 0.46 -0.10 0.00 2.80 0.00 0.00 179.97 183.45 1k2x h ALA 18 N 1.50 1.47 -0.66 2.80 0.00 -2.03 -2.66 119.26 119.67 1k2x h ALA 18 Ca 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1k2x h ALA 18 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1k2x h ALA 18 CO -0.30 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.11 1k2x n GLN 19 N -3.89 3.08 -4.39 0.00 6.02 -0.42 -4.96 117.38 112.82 1k2x n GLN 19 Ca -0.02 -2.69 -0.23 0.00 -0.01 0.00 0.00 57.00 54.05 1k2x n GLN 19 Cb 0.19 -1.65 -0.11 0.00 1.02 0.00 0.00 30.24 29.69 1k2x n GLN 19 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1k2x s MET 20 N -1.30 1.43 0.32 -1.09 -1.94 -1.01 -4.99 119.30 110.72 1k2x s MET 20 Ca 0.47 -1.54 0.08 0.00 -1.71 0.00 0.00 55.69 52.99 1k2x s MET 20 Cb 0.27 -1.53 -0.04 0.00 2.01 0.00 0.00 34.83 35.54 1k2x s MET 20 CO 0.28 0.30 0.17 -1.54 -0.01 0.00 0.00 175.02 174.23 1k2x s SER 21 N -2.93 4.91 0.15 3.03 1.04 -1.26 -4.98 113.70 113.65 1k2x s SER 21 Ca 0.21 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.88 1k2x s SER 21 Cb -0.05 -0.87 0.02 0.00 0.10 0.00 0.00 66.02 65.22 1k2x s SER 21 CO 0.09 -0.26 1.61 0.25 0.98 0.00 0.00 173.24 175.91 1k2x h LEU 22 N 1.49 0.85 -1.23 2.42 5.85 -1.99 -1.72 115.31 120.99 1k2x h LEU 22 Ca -0.44 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 57.97 1k2x h LEU 22 Cb 1.25 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1k2x h LEU 22 CO 0.61 0.94 0.44 1.56 -0.34 0.00 0.00 178.44 181.66 1k2x h GLN 23 N 0.73 0.96 -0.23 1.25 1.08 -1.99 0.21 115.11 117.13 1k2x h GLN 23 Ca 0.14 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1k2x h GLN 23 Cb 0.50 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1k2x h GLN 23 CO 0.02 0.66 0.09 1.96 -0.95 0.00 0.00 178.83 180.62 1k2x h GLN 24 N 0.98 0.34 -0.56 1.46 4.20 -1.89 -1.42 115.11 118.21 1k2x h GLN 24 Ca 0.26 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.95 1k2x h GLN 24 Cb -0.06 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1k2x h GLN 24 CO -0.05 0.39 0.32 0.93 -0.67 0.00 0.00 178.83 179.74 1k2x h GLU 25 N 0.22 0.59 -0.64 1.46 5.08 -0.65 -2.02 114.58 118.63 1k2x h GLU 25 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1k2x h GLU 25 Cb 0.17 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1k2x h GLU 25 CO -0.01 0.39 0.30 -0.07 -1.00 0.00 0.00 179.01 178.63 1k2x h LEU 26 N 0.61 0.83 -0.66 1.33 3.38 -0.39 -0.40 115.31 120.01 1k2x h LEU 26 Ca 0.24 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1k2x h LEU 26 Cb 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1k2x h LEU 26 CO -0.14 0.71 0.28 0.03 0.09 0.00 0.00 178.44 179.41 1k2x h ARG 27 N 0.91 0.98 -0.35 1.13 2.47 -0.58 0.11 114.38 119.04 1k2x h ARG 27 Ca 0.22 -0.17 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 1k2x h ARG 27 Cb 0.10 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1k2x h ARG 27 CO -0.03 0.80 0.08 1.88 0.56 0.00 0.00 179.97 183.26 1k2x h TYR 28 N 0.93 0.60 -0.55 3.04 0.05 -0.85 -1.03 116.97 119.15 1k2x h TYR 28 Ca 0.22 -0.08 0.04 0.00 0.05 0.00 0.00 58.73 58.97 1k2x h TYR 28 Cb 0.18 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.71 1k2x h TYR 28 CO 0.01 0.61 0.30 0.82 -1.05 0.00 0.00 178.16 178.85 1k2x h ILE 29 N 0.42 1.00 -0.60 -2.88 1.08 -0.76 -0.50 117.51 115.27 1k2x h ILE 29 Ca 0.11 -0.20 -0.06 0.00 -0.39 0.00 0.00 64.86 64.32 1k2x h ILE 29 Cb 0.32 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 1k2x h ILE 29 CO 0.00 0.11 0.15 -0.33 -0.69 0.00 0.00 178.15 177.39 1k2x h GLU 30 N 0.59 0.95 -0.19 2.37 5.08 -0.85 -0.22 114.58 122.31 1k2x h GLU 30 Ca 0.23 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1k2x h GLU 30 Cb 0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1k2x h GLU 30 CO -0.14 0.87 0.08 0.00 -1.00 0.00 0.00 179.01 178.83 1k2x h ALA 31 N 1.04 0.24 -0.54 3.43 0.00 -0.73 -1.58 119.26 121.12 1k2x h ALA 31 Ca 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1k2x h ALA 31 Cb 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1k2x h ALA 31 CO 0.00 -0.19 0.24 -0.07 0.00 0.00 0.00 179.25 179.23 1k2x h LEU 32 N 0.16 0.73 -0.42 0.00 3.38 -0.99 -2.79 115.31 115.37 1k2x h LEU 32 Ca 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1k2x h LEU 32 Cb 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1k2x h LEU 32 CO -0.01 0.68 0.27 -1.28 0.09 0.00 0.00 178.44 178.19 1k2x h SER 33 N 0.73 0.49 -0.91 -0.43 0.87 -0.88 -0.51 113.55 112.90 1k2x h SER 33 Ca 0.18 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1k2x h SER 33 Cb 0.16 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1k2x h SER 33 CO -0.02 0.36 0.56 0.00 -0.53 0.00 0.00 176.83 177.20 1k2x h ALA 34 N 1.15 1.15 -0.05 6.23 0.00 -1.18 -0.31 119.26 126.25 1k2x h ALA 34 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1k2x h ALA 34 Cb -0.05 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.38 1k2x h ALA 34 CO -0.03 0.60 -0.33 0.82 0.00 0.00 0.00 179.25 180.30 1k2x h ILE 35 N 1.24 1.45 -0.49 0.00 2.04 -1.22 -2.46 117.51 118.07 1k2x h ILE 35 Ca 0.33 -1.80 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 1k2x h ILE 35 Cb -0.07 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 1k2x h ILE 35 CO -0.06 0.51 0.13 1.62 0.00 0.00 0.00 178.15 180.35 1k2x h VAL 36 N -0.23 1.21 -0.64 1.67 3.04 -1.02 -1.99 116.25 118.30 1k2x h VAL 36 Ca -0.03 -0.73 -0.06 0.00 -1.01 0.00 0.00 66.70 64.87 1k2x h VAL 36 Cb 1.01 0.70 -0.03 0.00 -2.01 0.00 0.00 31.29 30.96 1k2x h VAL 36 CO 0.07 0.27 0.15 -0.33 -1.01 0.00 0.00 177.57 176.71 1k2x h GLU 37 N 0.71 1.01 -0.47 4.17 5.08 -1.04 0.70 114.58 124.75 1k2x h GLU 37 Ca 0.16 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1k2x h GLU 37 Cb 0.25 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1k2x h GLU 37 CO -0.00 0.90 0.20 1.15 -1.00 0.00 0.00 179.01 180.26 1k2x h THR 38 N 0.96 1.20 -0.54 1.13 2.02 -0.95 -1.00 112.91 115.74 1k2x h THR 38 Ca 0.20 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1k2x h THR 38 Cb 0.35 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1k2x h THR 38 CO 0.00 0.22 0.23 1.23 0.37 0.00 0.00 175.52 177.58 1k2x h GLY 39 N 0.61 0.85 1.00 2.16 0.00 -0.97 -1.73 103.07 105.00 1k2x h GLY 39 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1k2x h GLY 39 CO -0.02 0.42 0.22 1.46 0.00 0.00 0.00 176.54 178.63 1k2x h GLN 40 N 0.73 0.44 -0.66 4.80 4.20 -0.71 -1.00 115.11 122.92 1k2x h GLN 40 Ca 0.18 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.89 1k2x h GLN 40 Cb 0.17 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1k2x h GLN 40 CO -0.02 0.30 0.41 -0.22 -0.67 0.00 0.00 178.83 178.63 1k2x h LYS 41 N 0.45 0.80 -0.45 1.46 3.64 -0.95 0.63 116.57 122.15 1k2x h LYS 41 Ca 0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1k2x h LYS 41 Cb -0.05 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1k2x h LYS 41 CO -0.03 0.53 0.26 0.52 -2.27 0.00 0.00 179.45 178.46 1k2x h MET 42 N 0.82 0.61 -0.58 1.90 2.86 -0.99 -1.09 114.93 118.47 1k2x h MET 42 Ca 0.26 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1k2x h MET 42 Cb -0.01 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1k2x h MET 42 CO -0.09 0.47 0.34 -0.07 1.06 0.00 0.00 176.91 178.62 1k2x h LEU 43 N 0.59 0.70 -1.68 1.22 3.38 -0.67 -1.43 115.31 117.41 1k2x h LEU 43 Ca 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1k2x h LEU 43 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1k2x h LEU 43 CO -0.03 0.57 0.04 -0.33 0.09 0.00 0.00 178.44 178.78 1k2x h GLU 44 N 0.78 0.24 -0.00 1.13 5.08 -0.57 -1.67 114.58 119.57 1k2x h GLU 44 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1k2x h GLU 44 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1k2x h GLU 44 CO -0.04 0.23 -0.06 0.00 -1.00 0.00 0.00 179.01 178.15 1k2x n ALA 45 N -2.50 2.63 -0.39 3.43 0.00 -0.44 -4.92 120.51 118.32 1k2x n ALA 45 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1k2x n ALA 45 Cb 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1k2x n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k2x n GLY 46 N 1.29 0.80 3.78 0.00 0.00 -0.63 -5.07 105.19 105.35 1k2x n GLY 46 Ca 0.14 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1k2x n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k2x s GLU 47 N -0.64 2.37 0.51 1.61 0.41 -0.60 -4.99 118.70 117.36 1k2x s GLU 47 Ca 0.00 1.15 -0.19 0.00 -0.41 0.00 0.00 54.97 55.52 1k2x s GLU 47 Cb 0.00 -1.91 -0.08 0.00 -1.78 0.00 0.00 34.13 30.36 1k2x s GLU 47 CO 0.00 -1.55 1.03 -1.54 -0.49 0.00 0.00 175.26 172.71 1k2x s SER 48 N -3.41 6.29 0.27 -0.19 1.04 -1.26 -4.62 113.70 111.82 1k2x s SER 48 Ca 0.61 1.86 -0.01 0.00 0.48 0.00 0.00 55.95 58.89 1k2x s SER 48 Cb -0.17 -2.55 0.47 0.00 0.10 0.00 0.00 66.02 63.87 1k2x s SER 48 CO 0.55 -0.82 1.86 0.00 0.98 0.00 0.00 173.24 175.82 1k2x h ALA 49 N 1.29 1.45 -0.25 5.32 0.00 -1.98 0.10 119.26 125.18 1k2x h ALA 49 Ca -0.49 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1k2x h ALA 49 Cb 1.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1k2x h ALA 49 CO 0.59 0.36 0.15 1.25 0.00 0.00 0.00 179.25 181.60 1k2x h LEU 50 N 1.11 0.31 -0.98 0.00 5.85 -1.93 -0.26 115.31 119.41 1k2x h LEU 50 Ca 0.46 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 59.04 1k2x h LEU 50 Cb 0.30 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1k2x h LEU 50 CO -0.21 0.27 -0.19 0.44 -0.34 0.00 0.00 178.44 178.41 1k2x h ASP 51 N 0.31 0.51 -0.06 1.25 3.32 -1.79 -2.03 116.42 117.94 1k2x h ASP 51 Ca 0.09 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1k2x h ASP 51 Cb 0.03 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1k2x h ASP 51 CO -0.02 0.72 -0.00 0.58 -1.72 0.00 0.00 179.24 178.80 1k2x h VAL 52 N 0.47 1.25 -0.08 -1.35 2.07 -0.62 -0.59 116.25 117.39 1k2x h VAL 52 Ca 0.08 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 1k2x h VAL 52 Cb 0.60 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1k2x h VAL 52 CO 0.04 0.21 -0.37 -0.37 0.02 0.00 0.00 177.57 177.11 1k2x h VAL 53 N -0.19 1.28 -0.20 2.57 -1.51 -1.00 -0.81 116.25 116.39 1k2x h VAL 53 Ca 0.02 -1.37 -0.03 0.00 -1.23 0.00 0.00 66.70 64.09 1k2x h VAL 53 Cb 0.34 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 1k2x h VAL 53 CO 0.00 0.40 0.02 0.74 -1.23 0.00 0.00 177.57 177.51 1k2x h THR 54 N 0.14 1.23 -0.41 7.19 2.02 -1.20 -1.51 112.91 120.37 1k2x h THR 54 Ca 0.02 -0.78 -0.10 0.00 0.77 0.00 0.00 66.41 66.32 1k2x h THR 54 Cb 0.72 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1k2x h THR 54 CO 0.05 0.24 -0.12 -0.08 0.37 0.00 0.00 175.52 175.98 1k2x h GLU 55 N 0.12 0.81 -0.48 6.66 4.57 -0.88 -0.02 114.58 125.36 1k2x h GLU 55 Ca 0.06 -0.32 0.03 0.00 -1.18 0.00 0.00 59.36 57.94 1k2x h GLU 55 Cb 0.34 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1k2x h GLU 55 CO 0.01 0.94 0.27 0.00 -1.18 0.00 0.00 179.01 179.05 1k2x h ALA 56 N 0.84 0.61 -0.17 2.92 0.00 -1.12 0.23 119.26 122.57 1k2x h ALA 56 Ca 0.10 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1k2x h ALA 56 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1k2x h ALA 56 CO 0.05 -0.04 -0.55 0.28 0.00 0.00 0.00 179.25 178.98 1k2x h VAL 57 N 0.55 1.33 -0.70 0.00 2.07 -1.16 -1.11 116.25 117.23 1k2x h VAL 57 Ca 0.19 -1.81 0.03 0.00 0.82 0.00 0.00 66.70 65.93 1k2x h VAL 57 Cb 0.03 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1k2x h VAL 57 CO -0.10 0.56 0.44 -0.09 0.02 0.00 0.00 177.57 178.40 1k2x h ARG 58 N 0.40 0.84 -0.65 1.57 2.43 -0.57 0.12 114.38 118.52 1k2x h ARG 58 Ca 0.01 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1k2x h ARG 58 Cb 1.09 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 1k2x h ARG 58 CO 0.10 0.56 0.12 -0.07 -1.51 0.00 0.00 179.97 179.17 1k2x h LEU 59 N 0.87 1.00 -0.94 3.80 3.38 -0.57 -0.19 115.31 122.65 1k2x h LEU 59 Ca 0.28 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1k2x h LEU 59 Cb -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1k2x h LEU 59 CO -0.10 0.98 -0.16 -0.07 0.09 0.00 0.00 178.44 179.19 1k2x h LEU 60 N 0.99 0.58 0.02 1.67 3.38 -0.67 -2.81 115.31 118.47 1k2x h LEU 60 Ca 0.20 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1k2x h LEU 60 Cb 0.40 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1k2x h LEU 60 CO 0.01 0.76 -0.01 -0.33 0.09 0.00 0.00 178.44 178.96 1k2x h GLU 61 N 0.54 -0.03 -4.55 1.13 5.08 -0.36 -3.42 114.58 112.97 1k2x h GLU 61 Ca 0.09 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.06 1k2x h GLU 61 Cb 0.58 0.01 0.09 0.00 0.50 0.00 0.00 28.75 29.92 1k2x h GLU 61 CO 0.04 0.08 1.40 0.39 -1.00 0.00 0.00 179.01 179.91 1k2x n GLU 62 N -5.06 0.24 0.00 2.33 -0.58 -0.12 -1.38 120.64 116.07 1k2x n GLU 62 Ca -0.08 -0.94 0.00 0.00 -0.42 0.00 0.00 57.16 55.73 1k2x n GLU 62 Cb 0.09 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 28.58 1k2x n GLU 62 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1k2x n PRO 64 N 6.74 3.10 0.27 3.49 -0.02 -1.25 -4.70 135.00 142.62 1k2x n PRO 64 Ca 0.32 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1k2x n PRO 64 Cb 0.27 -0.60 0.77 0.00 -0.02 0.00 0.00 33.50 33.91 1k2x n PRO 64 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1k2x h LEU 65 N 0.00 0.00 -9.04 2.45 3.38 -1.91 -3.41 115.31 106.78 1k2x h LEU 65 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1k2x h LEU 65 Cb 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.55 1k2x h LEU 65 CO 0.00 0.09 -0.72 -0.36 0.09 0.00 0.00 178.44 177.54 1k2x s PHE 66 N -4.34 2.85 -1.27 1.13 0.08 -1.26 -5.04 117.98 110.12 1k2x s PHE 66 Ca -0.03 -0.04 -0.18 0.00 0.12 0.00 0.00 56.93 56.79 1k2x s PHE 66 Cb 0.14 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.93 1k2x s PHE 66 CO 0.58 0.28 1.87 -1.71 -0.10 0.00 0.00 175.22 176.15 1k2x n ASN 67 N 2.20 4.25 -3.64 1.36 5.15 -1.26 -4.43 115.26 118.89 1k2x n ASN 67 Ca -0.17 -2.85 -0.07 0.00 -0.60 0.00 0.00 54.58 50.88 1k2x n ASN 67 Cb 0.53 -1.69 -0.07 0.00 -0.53 0.00 0.00 39.78 38.01 1k2x n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1k2x s ALA 68 N 5.42 -2.04 0.00 5.20 0.00 -1.26 -4.88 121.76 124.20 1k2x s ALA 68 Ca 0.56 1.81 0.00 0.00 0.00 0.00 0.00 51.96 54.33 1k2x s ALA 68 Cb 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1k2x s ALA 68 CO 0.06 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1k2x n GLY 69 N 1.97 2.69 3.68 0.00 0.00 -1.26 -4.35 105.19 107.92 1k2x n GLY 69 Ca -0.12 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 1k2x n GLY 69 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k2x n ILE 70 N 0.00 0.34 -0.11 -0.61 2.08 -0.48 -1.12 119.36 119.47 1k2x n ILE 70 Ca 0.00 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.25 1k2x n ILE 70 Cb 0.00 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 36.90 1k2x n ILE 70 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1k2x n GLY 71 N 4.13 0.90 3.75 7.39 0.00 -0.41 -3.92 105.19 117.02 1k2x n GLY 71 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1k2x n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2x s ALA 72 N -2.03 2.67 0.93 4.61 0.00 -0.27 -4.27 121.76 123.40 1k2x s ALA 72 Ca 0.00 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 1k2x s ALA 72 Cb 0.00 -3.53 0.15 0.00 0.00 0.00 0.00 23.12 19.74 1k2x s ALA 72 CO 0.00 -1.34 1.09 0.14 0.00 0.00 0.00 175.76 175.65 1k2x s VAL 73 N -1.39 2.51 -0.05 0.00 -7.23 -1.26 -4.79 120.40 108.19 1k2x s VAL 73 Ca 0.75 0.17 -0.04 0.00 -1.81 0.00 0.00 61.98 61.04 1k2x s VAL 73 Cb -0.37 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1k2x s VAL 73 CO 0.42 -0.22 0.15 -0.36 -0.31 0.00 0.00 175.10 174.79 1k2x s PHE 74 N -2.90 3.54 0.98 2.82 0.40 -1.26 -4.68 117.98 116.89 1k2x s PHE 74 Ca 0.64 0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 57.21 1k2x s PHE 74 Cb -0.19 -1.86 0.21 0.00 0.51 0.00 0.00 43.02 41.69 1k2x s PHE 74 CO 0.58 0.67 1.30 0.95 0.70 0.00 0.00 175.22 179.41 1k2x s THR 75 N -1.20 1.96 0.48 0.64 -4.23 0.54 -4.90 115.64 108.93 1k2x s THR 75 Ca 0.22 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.97 1k2x s THR 75 Cb -0.12 -2.95 0.42 0.00 1.34 0.00 0.00 72.50 71.19 1k2x s THR 75 CO 0.13 0.00 1.90 -0.09 -0.54 0.00 0.00 174.62 176.01 1k2x h ARG 76 N -1.73 0.17 -0.62 3.99 2.43 -2.00 -1.13 114.38 115.49 1k2x h ARG 76 Ca -0.44 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1k2x h ARG 76 Cb 1.24 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1k2x h ARG 76 CO 0.38 0.11 0.00 -0.25 -1.51 0.00 0.00 179.97 178.70 1k2x n ASP 77 N -4.39 3.77 -2.81 -3.80 8.00 -1.26 -4.90 116.55 111.15 1k2x n ASP 77 Ca 0.17 -2.34 -0.20 0.00 0.71 0.00 0.00 54.79 53.13 1k2x n ASP 77 Cb 0.77 -0.50 0.05 0.00 -0.02 0.00 0.00 41.12 41.42 1k2x n ASP 77 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k2x n GLU 78 N 0.82 -5.28 -4.70 -1.24 1.02 -0.43 -5.01 120.64 105.82 1k2x n GLU 78 Ca 0.20 0.74 -0.31 0.00 -0.02 0.00 0.00 57.16 57.77 1k2x n GLU 78 Cb 0.71 -5.35 -0.09 0.00 -0.02 0.00 0.00 31.44 26.69 1k2x n GLU 78 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1k2x s THR 79 N -3.16 1.46 -0.09 2.62 -4.23 -1.26 -4.89 115.64 106.10 1k2x s THR 79 Ca 0.36 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1k2x s THR 79 Cb -0.16 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 1k2x s THR 79 CO 0.45 0.00 -0.22 -1.00 -0.54 0.00 0.00 174.62 173.31 1k2x s HIS 80 N -2.83 2.57 -0.18 3.99 3.76 -1.26 -0.34 115.29 120.99 1k2x s HIS 80 Ca 0.17 -0.80 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 1k2x s HIS 80 Cb 0.05 -1.69 0.04 0.00 1.11 0.00 0.00 32.58 32.09 1k2x s HIS 80 CO 0.09 -0.27 -0.09 -1.21 -0.85 0.00 0.00 174.74 172.41 1k2x s GLU 81 N 0.08 1.88 0.05 1.40 2.02 -1.26 -4.48 118.70 118.39 1k2x s GLU 81 Ca -0.10 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.23 1k2x s GLU 81 Cb -0.16 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 1k2x s GLU 81 CO 0.06 -0.40 -0.05 -0.51 0.02 0.00 0.00 175.26 174.37 1k2x s LEU 82 N 1.48 3.24 0.04 1.80 1.43 0.02 -4.84 118.68 121.85 1k2x s LEU 82 Ca 0.00 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1k2x s LEU 82 Cb -0.15 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1k2x s LEU 82 CO -0.08 0.23 -0.06 -1.81 0.23 0.00 0.00 176.35 174.86 1k2x s ASP 83 N -1.83 0.67 0.12 2.29 1.01 -1.26 -1.70 116.67 115.97 1k2x s ASP 83 Ca 0.20 -0.53 -0.23 0.00 0.71 0.00 0.00 52.55 52.70 1k2x s ASP 83 Cb -0.11 0.05 0.06 0.00 1.01 0.00 0.00 42.92 43.94 1k2x s ASP 83 CO 0.12 -0.23 0.57 0.00 0.21 0.00 0.00 175.17 175.84 1k2x s ALA 84 N -1.39 -1.50 0.01 5.23 0.00 -0.12 -4.93 121.76 119.05 1k2x s ALA 84 Ca -0.12 0.52 -0.08 0.00 0.00 0.00 0.00 51.96 52.29 1k2x s ALA 84 Cb -0.10 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1k2x s ALA 84 CO -0.00 -0.68 0.15 0.00 0.00 0.00 0.00 175.76 175.23 1k2x s VAL 86 N -1.49 0.02 -0.01 0.00 0.11 0.02 -5.00 120.40 114.05 1k2x s VAL 86 Ca -0.14 -0.14 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1k2x s VAL 86 Cb -0.07 -0.14 0.01 0.00 -1.53 0.00 0.00 36.38 34.65 1k2x s VAL 86 CO 0.01 -0.08 -0.01 -0.32 -3.33 0.00 0.00 175.10 171.38 1k2x s MET 87 N -0.21 0.19 -0.39 1.54 1.75 -1.26 -1.10 119.30 119.82 1k2x s MET 87 Ca -0.03 0.01 -0.14 0.00 -1.25 0.00 0.00 55.69 54.28 1k2x s MET 87 Cb -0.02 -0.29 0.01 0.00 2.84 0.00 0.00 34.83 37.37 1k2x s MET 87 CO 0.00 -0.04 0.28 0.34 -0.65 0.00 0.00 175.02 174.95 1k2x s ASP 88 N 0.46 6.09 0.44 1.11 -1.08 -0.22 -4.97 116.67 118.50 1k2x s ASP 88 Ca -0.04 -0.79 0.31 0.00 -0.52 0.00 0.00 52.55 51.50 1k2x s ASP 88 Cb -0.07 -2.15 1.41 0.00 -1.46 0.00 0.00 42.92 40.65 1k2x s ASP 88 CO -0.01 -0.40 1.92 1.23 0.52 0.00 0.00 175.17 178.43 1k2x h GLY 89 N 8.59 0.00 1.12 2.66 0.00 -1.95 0.26 103.07 113.76 1k2x h GLY 89 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.72 1k2x h GLY 89 CO 0.71 0.00 -1.52 -0.57 0.00 0.00 0.00 176.54 175.15 1k2x h ASN 90 N 0.00 0.77 0.00 0.19 -1.24 -1.95 -3.37 115.58 109.98 1k2x h ASN 90 Ca 0.00 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.08 1k2x h ASN 90 Cb 0.29 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1k2x h ASN 90 CO 0.00 1.72 -1.17 0.35 -1.29 0.00 0.00 177.43 177.04 1k2x n THR 91 N -3.71 0.00 -1.27 -3.57 -2.24 -1.18 -4.97 114.28 97.34 1k2x n THR 91 Ca -0.19 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 1k2x n THR 91 Cb 1.08 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.93 1k2x n THR 91 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k2x n LEU 92 N -1.67 -0.34 -4.83 3.22 4.77 0.91 -5.00 117.00 114.07 1k2x n LEU 92 Ca 0.01 0.23 -0.33 0.00 -0.03 0.00 0.00 56.01 55.89 1k2x n LEU 92 Cb 0.33 -2.19 -0.03 0.00 -2.33 0.00 0.00 43.42 39.21 1k2x n LEU 92 CO 0.35 -0.81 0.69 -0.54 -1.33 0.00 0.00 177.39 175.75 1k2x s LYS 93 N -2.57 3.83 0.06 3.23 1.02 -1.22 -4.86 119.74 119.23 1k2x s LYS 93 Ca 0.00 1.07 -0.08 0.00 0.02 0.00 0.00 55.97 56.98 1k2x s LYS 93 Cb 0.00 -2.11 -0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1k2x s LYS 93 CO 0.00 -0.37 0.16 0.00 -0.92 0.00 0.00 175.35 174.21 1k2x s ALA 94 N -2.47 -0.18 -0.00 5.17 0.00 -1.26 -1.06 121.76 121.96 1k2x s ALA 94 Ca 0.61 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 1k2x s ALA 94 Cb -0.12 0.36 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 1k2x s ALA 94 CO 0.29 -0.41 0.02 0.20 0.00 0.00 0.00 175.76 175.86 1k2x s GLY 95 N -2.48 0.03 -0.09 0.00 0.00 -0.26 -4.35 107.32 100.17 1k2x s GLY 95 Ca 0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 44.72 44.48 1k2x s GLY 95 CO -0.07 -0.09 0.44 0.00 0.00 0.00 0.00 173.10 173.38 1k2x s ALA 96 N -0.34 -1.12 0.03 3.20 0.00 0.90 -0.80 121.76 123.63 1k2x s ALA 96 Ca -0.04 0.95 0.05 0.00 0.00 0.00 0.00 51.96 52.92 1k2x s ALA 96 Cb -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1k2x s ALA 96 CO -0.00 -0.26 -0.14 0.14 0.00 0.00 0.00 175.76 175.50 1k2x s VAL 97 N -0.57 1.11 0.03 0.00 -7.23 -0.48 -1.51 120.40 111.75 1k2x s VAL 97 Ca -0.07 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.18 1k2x s VAL 97 Cb -0.03 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 1k2x s VAL 97 CO 0.04 0.05 -0.08 0.00 -0.31 0.00 0.00 175.10 174.79 1k2x s ALA 98 N -0.78 0.61 -0.83 1.32 0.00 -0.90 -0.95 121.76 120.23 1k2x s ALA 98 Ca 0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 1k2x s ALA 98 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1k2x s ALA 98 CO 0.01 0.04 0.19 0.41 0.00 0.00 0.00 175.76 176.41 1k2x n GLY 99 N 1.90 0.02 3.88 0.00 0.00 -0.79 -1.00 105.19 109.19 1k2x n GLY 99 Ca -0.20 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1k2x n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k2x s VAL 100 N -2.72 5.34 0.00 1.61 -7.23 -0.69 -3.93 120.40 112.77 1k2x s VAL 100 Ca 0.09 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 1k2x s VAL 100 Cb -0.04 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.36 1k2x s VAL 100 CO 0.12 0.43 0.00 -1.20 -0.31 0.00 0.00 175.10 174.13 1k2x n SER 101 N 1.32 0.03 -0.14 4.85 7.64 -1.26 -0.80 113.62 125.26 1k2x n SER 101 Ca -0.13 -0.24 0.09 0.00 1.01 0.00 0.00 58.87 59.60 1k2x n SER 101 Cb 0.53 0.49 0.14 0.00 -1.01 0.00 0.00 64.21 64.36 1k2x n SER 101 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1k2x n HIS 102 N -0.50 0.00 -4.71 1.43 8.25 -1.26 -4.19 115.22 114.25 1k2x n HIS 102 Ca 0.00 -0.98 -0.32 0.00 -0.26 0.00 0.00 57.72 56.15 1k2x n HIS 102 Cb 0.00 -0.15 -0.17 0.00 1.12 0.00 0.00 29.99 30.79 1k2x n HIS 102 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k2x s LEU 103 N -2.75 2.09 0.22 2.41 1.43 -1.26 -1.14 118.68 119.67 1k2x s LEU 103 Ca 0.31 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 1k2x s LEU 103 Cb 0.27 -1.42 0.17 0.00 0.03 0.00 0.00 46.19 45.24 1k2x s LEU 103 CO 0.02 0.08 1.82 -0.09 0.23 0.00 0.00 176.35 178.42 1k2x h ARG 104 N 7.27 1.15 -3.05 1.70 2.43 -1.94 -3.37 114.38 118.57 1k2x h ARG 104 Ca -0.31 -0.15 -0.62 0.00 -0.81 0.00 0.00 59.98 58.09 1k2x h ARG 104 Cb 1.19 -0.22 -0.40 0.00 -0.42 0.00 0.00 29.97 30.13 1k2x h ARG 104 CO 0.54 0.87 -0.72 -0.80 -1.51 0.00 0.00 179.97 178.35 1k2x s ASN 105 N -6.19 3.75 0.36 -3.80 -0.87 -1.26 -4.67 114.94 102.27 1k2x s ASN 105 Ca -0.13 -2.72 0.14 0.00 -1.57 0.00 0.00 52.86 48.59 1k2x s ASN 105 Cb 0.16 -1.14 1.01 0.00 -0.02 0.00 0.00 41.25 41.26 1k2x s ASN 105 CO 0.82 -0.26 1.74 -0.65 -2.57 0.00 0.00 177.10 176.18 1k2x h PRO 106 N 6.65 0.46 -0.42 -0.60 0.11 -1.95 -0.36 132.00 135.88 1k2x h PRO 106 Ca -0.01 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1k2x h PRO 106 Cb 0.92 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1k2x h PRO 106 CO 0.52 0.30 0.04 -0.24 -0.21 0.00 0.00 178.00 178.42 1k2x h VAL 107 N 0.47 1.21 -0.28 3.15 3.04 -1.93 0.80 116.25 122.72 1k2x h VAL 107 Ca 0.63 -0.82 -0.14 0.00 -1.01 0.00 0.00 66.70 65.36 1k2x h VAL 107 Cb 1.42 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 1k2x h VAL 107 CO -0.40 0.29 -0.40 -0.07 -1.01 0.00 0.00 177.57 175.98 1k2x h LEU 108 N 0.63 0.70 -0.80 3.16 3.38 -1.44 -1.36 115.31 119.58 1k2x h LEU 108 Ca 0.14 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1k2x h LEU 108 Cb 0.33 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1k2x h LEU 108 CO 0.01 1.02 0.38 0.00 0.09 0.00 0.00 178.44 179.94 1k2x h ALA 109 N 1.01 1.03 -0.54 1.53 0.00 -0.81 -1.31 119.26 120.17 1k2x h ALA 109 Ca 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1k2x h ALA 109 Cb 0.92 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1k2x h ALA 109 CO 0.08 0.61 0.25 0.00 0.00 0.00 0.00 179.25 180.19 1k2x h ALA 110 N 1.20 0.70 -0.55 0.00 0.00 -0.64 -0.91 119.26 119.06 1k2x h ALA 110 Ca 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1k2x h ALA 110 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1k2x h ALA 110 CO -0.03 0.27 0.16 -0.09 0.00 0.00 0.00 179.25 179.55 1k2x h ARG 111 N 0.73 0.83 -0.70 0.00 9.65 -1.09 -1.79 114.38 122.00 1k2x h ARG 111 Ca 0.18 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 1k2x h ARG 111 Cb 0.13 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 1k2x h ARG 111 CO -0.02 0.73 0.29 1.25 2.80 0.00 0.00 179.97 185.02 1k2x h LEU 112 N 0.81 0.95 -0.53 3.80 5.85 -0.60 -0.70 115.31 124.89 1k2x h LEU 112 Ca 0.18 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1k2x h LEU 112 Cb 0.26 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1k2x h LEU 112 CO -0.01 0.85 0.32 0.58 -0.34 0.00 0.00 178.44 179.85 1k2x h VAL 113 N 0.99 1.16 -0.30 1.05 2.07 -0.69 0.16 116.25 120.69 1k2x h VAL 113 Ca 0.23 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1k2x h VAL 113 Cb 0.19 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1k2x h VAL 113 CO -0.02 0.16 0.17 -0.03 0.02 0.00 0.00 177.57 177.87 1k2x h MET 114 N 0.72 0.42 0.00 1.57 1.85 -0.91 -3.04 114.93 115.54 1k2x h MET 114 Ca 0.19 -0.05 -0.23 0.00 -0.61 0.00 0.00 59.70 59.00 1k2x h MET 114 Cb -0.02 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 31.89 1k2x h MET 114 CO -0.04 0.35 -1.48 0.93 -0.40 0.00 0.00 176.91 176.28 1k2x h GLU 115 N 0.38 0.00 0.00 0.39 5.08 -0.92 -3.39 114.58 116.11 1k2x h GLU 115 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1k2x h GLU 115 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1k2x h GLU 115 CO -0.02 0.47 -0.16 1.04 -1.00 0.00 0.00 179.01 179.34 1k2x n GLN 116 N -3.03 1.08 -4.11 2.33 6.02 0.55 -5.03 117.38 115.19 1k2x n GLN 116 Ca -0.12 -2.40 -0.10 0.00 -0.01 0.00 0.00 57.00 54.37 1k2x n GLN 116 Cb 0.95 -1.32 -0.09 0.00 1.02 0.00 0.00 30.24 30.81 1k2x n GLN 116 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1k2x s SER 117 N -2.60 0.18 -0.02 1.08 1.04 -1.15 -4.96 113.70 107.28 1k2x s SER 117 Ca 0.28 -1.16 0.11 0.00 0.48 0.00 0.00 55.95 55.66 1k2x s SER 117 Cb 0.25 0.37 0.34 0.00 0.10 0.00 0.00 66.02 67.08 1k2x s SER 117 CO 0.01 -0.82 1.26 -0.81 0.98 0.00 0.00 173.24 173.85 1k2x n PRO 118 N -0.18 2.02 -4.25 4.02 -0.05 -1.26 -4.82 135.00 130.47 1k2x n PRO 118 Ca -0.04 -1.38 -0.24 0.00 -0.05 0.00 0.00 63.50 61.79 1k2x n PRO 118 Cb 0.64 -1.37 -0.08 0.00 -0.05 0.00 0.00 33.50 32.64 1k2x n PRO 118 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 1k2x s HIS 119 N -1.55 2.60 -0.22 0.54 3.76 -1.26 -5.05 115.29 114.09 1k2x s HIS 119 Ca 0.25 -0.45 0.05 0.00 -0.15 0.00 0.00 55.06 54.76 1k2x s HIS 119 Cb 0.14 -1.60 -0.17 0.00 1.11 0.00 0.00 32.58 32.06 1k2x s HIS 119 CO 0.16 0.40 -0.15 0.28 -0.85 0.00 0.00 174.74 174.57 1k2x n VAL 120 N -1.04 1.33 -4.27 -0.90 0.31 -1.26 -4.39 118.33 108.11 1k2x n VAL 120 Ca -0.03 -0.57 -0.20 0.00 -0.01 0.00 0.00 64.34 63.53 1k2x n VAL 120 Cb 0.62 -1.17 -0.16 0.00 -0.91 0.00 0.00 33.84 32.23 1k2x n VAL 120 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1k2x s MET 121 N -2.46 0.88 0.02 5.55 -2.45 -1.26 -0.07 119.30 119.51 1k2x s MET 121 Ca -0.27 -0.20 0.03 0.00 -1.25 0.00 0.00 55.69 54.01 1k2x s MET 121 Cb 0.08 -0.84 -0.01 0.00 1.25 0.00 0.00 34.83 35.30 1k2x s MET 121 CO 0.58 0.01 -0.11 -1.64 1.05 0.00 0.00 175.02 174.92 1k2x s MET 122 N 0.55 0.79 0.15 4.11 1.00 -0.57 -4.99 119.30 120.33 1k2x s MET 122 Ca -0.08 -0.54 0.07 0.00 0.00 0.00 0.00 55.69 55.14 1k2x s MET 122 Cb -0.11 -0.75 -0.04 0.00 0.00 0.00 0.00 34.83 33.93 1k2x s MET 122 CO 0.01 0.19 -0.16 0.96 0.00 0.00 0.00 175.02 176.02 1k2x s ILE 123 N -0.60 1.57 0.00 2.53 -4.36 -1.26 -2.12 121.20 116.96 1k2x s ILE 123 Ca 0.01 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1k2x s ILE 123 Cb -0.06 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.93 1k2x s ILE 123 CO 0.00 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.39 1k2x n GLY 124 N 0.31 2.25 0.24 6.27 0.00 -0.17 -1.81 105.19 112.28 1k2x n GLY 124 Ca -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.54 1k2x n GLY 124 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k2x h GLU 125 N 0.00 0.24 -0.61 1.61 4.81 -1.92 -1.92 114.58 116.78 1k2x h GLU 125 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1k2x h GLU 125 Cb 0.00 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1k2x h GLU 125 CO 0.00 0.37 0.32 0.78 -0.73 0.00 0.00 179.01 179.76 1k2x h GLY 126 N 0.73 0.92 0.96 1.92 0.00 -1.96 0.13 103.07 105.77 1k2x h GLY 126 Ca 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1k2x h GLY 126 CO 0.02 0.41 0.20 0.00 0.00 0.00 0.00 176.54 177.16 1k2x h ALA 127 N 1.15 0.45 -0.07 3.60 0.00 -0.76 -1.33 119.26 122.30 1k2x h ALA 127 Ca 0.21 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1k2x h ALA 127 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1k2x h ALA 127 CO -0.03 -0.02 0.03 0.93 0.00 0.00 0.00 179.25 180.15 1k2x h GLU 128 N 0.45 0.07 -0.90 0.00 5.08 -0.98 -1.23 114.58 117.06 1k2x h GLU 128 Ca 0.12 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1k2x h GLU 128 Cb 0.05 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1k2x h GLU 128 CO -0.02 0.04 0.55 -0.91 -1.00 0.00 0.00 179.01 177.67 1k2x h ASN 129 N 0.07 1.07 -0.30 1.42 2.35 -0.62 0.11 115.58 119.68 1k2x h ASN 129 Ca 0.03 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1k2x h ASN 129 Cb 0.01 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1k2x h ASN 129 CO -0.03 0.81 0.18 0.15 -1.65 0.00 0.00 177.43 176.90 1k2x h PHE 130 N 1.24 0.39 -0.36 1.19 3.57 -1.00 -1.46 116.94 120.51 1k2x h PHE 130 Ca 0.32 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1k2x h PHE 130 Cb -0.07 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1k2x h PHE 130 CO 0.00 0.28 0.10 0.00 -2.23 0.00 0.00 178.31 176.47 1k2x h ALA 131 N 1.07 0.47 -0.96 2.41 0.00 -0.40 -2.51 119.26 119.35 1k2x h ALA 131 Ca 0.11 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1k2x h ALA 131 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1k2x h ALA 131 CO -0.02 0.12 0.63 0.74 0.00 0.00 0.00 179.25 180.73 1k2x h PHE 132 N 0.43 1.19 0.00 0.00 0.04 -0.72 -1.42 116.94 116.47 1k2x h PHE 132 Ca 0.11 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 1k2x h PHE 132 Cb 0.27 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 1k2x h PHE 132 CO 0.01 0.74 -0.20 0.00 -0.60 0.00 0.00 178.31 178.26 1k2x h ALA 133 N 1.41 1.53 -0.27 2.45 0.00 -0.99 -1.23 119.26 122.17 1k2x h ALA 133 Ca 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1k2x h ALA 133 Cb -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1k2x h ALA 133 CO -0.09 0.25 0.00 0.54 0.00 0.00 0.00 179.25 179.95 1k2x n ARG 134 N -4.09 1.79 -0.28 0.00 3.00 -0.77 -4.93 116.66 111.38 1k2x n ARG 134 Ca -0.02 -1.22 0.00 0.00 -0.01 0.00 0.00 57.85 56.60 1k2x n ARG 134 Cb 0.27 -1.34 0.00 0.00 0.00 0.00 0.00 32.46 31.39 1k2x n ARG 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k2x n GLY 135 N 1.11 0.68 3.76 -0.13 0.00 -0.46 -5.05 105.19 105.09 1k2x n GLY 135 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1k2x n GLY 135 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1k2x s MET 136 N -0.72 4.56 0.32 1.61 0.00 -0.61 -4.98 119.30 119.48 1k2x s MET 136 Ca 0.00 1.90 -0.28 0.00 0.00 0.00 0.00 55.69 57.31 1k2x s MET 136 Cb 0.00 -3.17 -0.09 0.00 0.00 0.00 0.00 34.83 31.56 1k2x s MET 136 CO 0.00 0.09 1.11 -2.00 0.00 0.00 0.00 175.02 174.21 1k2x s GLU 137 N -1.33 4.48 0.05 4.11 2.12 -1.26 -4.09 118.70 122.77 1k2x s GLU 137 Ca 0.47 1.78 -0.24 0.00 0.36 0.00 0.00 54.97 57.34 1k2x s GLU 137 Cb -0.34 -3.02 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 1k2x s GLU 137 CO 0.43 0.07 0.73 0.50 -0.54 0.00 0.00 175.26 176.45 1k2x s ARG 138 N -1.74 4.46 0.24 4.30 3.52 -1.26 -4.59 118.95 123.88 1k2x s ARG 138 Ca 0.48 1.00 0.11 0.00 -0.13 0.00 0.00 55.73 57.19 1k2x s ARG 138 Cb -0.31 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 1k2x s ARG 138 CO 0.39 0.33 -0.14 0.14 -0.81 0.00 0.00 175.30 175.21 1k2x s VAL 139 N -0.19 2.84 0.30 7.11 -7.23 -0.30 -5.03 120.40 117.90 1k2x s VAL 139 Ca 0.37 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 1k2x s VAL 139 Cb -0.20 -2.46 -0.10 0.00 0.56 0.00 0.00 36.38 34.18 1k2x s VAL 139 CO 0.22 -0.29 1.29 -0.55 -0.31 0.00 0.00 175.10 175.47 1k2x s SER 140 N -3.27 6.84 0.56 4.85 0.15 -1.26 -4.56 113.70 117.01 1k2x s SER 140 Ca 0.28 2.59 0.37 0.00 0.70 0.00 0.00 55.95 59.89 1k2x s SER 140 Cb -0.07 -2.64 1.91 0.00 -1.71 0.00 0.00 66.02 63.52 1k2x s SER 140 CO 0.15 -0.50 2.13 1.55 1.20 0.00 0.00 173.24 177.77 1k2x h PRO 141 N 3.92 0.00 -0.00 5.44 0.13 -1.95 -2.08 132.00 137.45 1k2x h PRO 141 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1k2x h PRO 141 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1k2x h PRO 141 CO 0.69 0.00 -0.05 0.39 -0.23 0.00 0.00 178.00 178.80 1k2x n GLU 142 N -2.87 0.57 0.26 0.86 1.02 -1.26 -3.83 120.64 115.39 1k2x n GLU 142 Ca -0.02 -0.10 0.10 0.00 -0.02 0.00 0.00 57.16 57.12 1k2x n GLU 142 Cb 0.12 -1.50 0.70 0.00 -0.02 0.00 0.00 31.44 30.74 1k2x n GLU 142 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1k2x h ILE 143 N 0.25 0.80 0.00 -3.67 2.10 -1.76 -2.08 117.51 113.15 1k2x h ILE 143 Ca 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1k2x h ILE 143 Cb 0.30 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 1k2x h ILE 143 CO 0.00 0.07 -0.18 -0.26 -1.08 0.00 0.00 178.15 176.71 1k2x h PHE 144 N 0.00 0.00 -3.60 2.19 0.04 -1.82 -3.46 116.94 110.29 1k2x h PHE 144 Ca -0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 1k2x h PHE 144 Cb 0.16 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.34 1k2x h PHE 144 CO 0.00 0.00 0.59 -1.12 -0.60 0.00 0.00 178.31 177.18 1k2x s SER 145 N -4.61 7.00 0.03 2.17 0.01 -0.78 -1.28 113.70 116.24 1k2x s SER 145 Ca 0.09 2.39 0.02 0.00 1.31 0.00 0.00 55.95 59.76 1k2x s SER 145 Cb 0.12 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 1k2x s SER 145 CO 0.64 -0.41 -0.07 0.42 0.41 0.00 0.00 173.24 174.23 1k2x s THR 146 N -0.46 0.48 0.32 1.44 -4.23 -1.26 -4.85 115.64 107.08 1k2x s THR 146 Ca 0.51 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 60.09 1k2x s THR 146 Cb -0.35 -0.54 0.16 0.00 1.34 0.00 0.00 72.50 73.10 1k2x s THR 146 CO 0.42 -0.33 1.87 0.77 -0.54 0.00 0.00 174.62 176.80 1k2x h SER 147 N 4.69 0.57 -0.09 3.99 4.64 -1.98 -1.44 113.55 123.93 1k2x h SER 147 Ca -0.34 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 60.91 1k2x h SER 147 Cb 1.20 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 1k2x h SER 147 CO 0.42 0.61 -0.18 0.25 -0.87 0.00 0.00 176.83 177.06 1k2x h LEU 148 N 0.59 -0.54 -0.71 5.97 5.85 -1.99 0.53 115.31 125.00 1k2x h LEU 148 Ca 0.13 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 1k2x h LEU 148 Cb 0.31 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1k2x h LEU 148 CO 0.01 -0.23 -0.59 0.03 -0.34 0.00 0.00 178.44 177.31 1k2x h ARG 149 N -0.25 0.17 -0.52 1.25 2.47 -1.85 -2.42 114.38 113.22 1k2x h ARG 149 Ca 0.08 -0.11 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 1k2x h ARG 149 Cb 0.37 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 1k2x h ARG 149 CO -0.23 0.71 -0.11 -0.92 0.56 0.00 0.00 179.97 179.97 1k2x h TYR 150 N 0.12 1.13 -0.40 3.04 3.20 -0.83 -1.38 116.97 121.85 1k2x h TYR 150 Ca -0.01 -0.24 -0.06 0.00 3.14 0.00 0.00 58.73 61.56 1k2x h TYR 150 Cb 1.08 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1k2x h TYR 150 CO 0.01 1.05 -0.01 0.93 -1.64 0.00 0.00 178.16 178.51 1k2x h GLU 151 N 0.87 0.65 -0.64 1.82 4.39 -0.79 -0.97 114.58 119.91 1k2x h GLU 151 Ca 0.13 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1k2x h GLU 151 Cb 0.68 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1k2x h GLU 151 CO 0.05 0.67 0.23 1.96 -1.16 0.00 0.00 179.01 180.76 1k2x h GLN 152 N 0.61 0.96 -0.19 2.33 4.20 -1.05 -0.27 115.11 121.69 1k2x h GLN 152 Ca 0.12 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1k2x h GLN 152 Cb 0.40 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1k2x h GLN 152 CO 0.02 0.80 0.05 1.25 -0.67 0.00 0.00 178.83 180.28 1k2x h LEU 153 N 0.93 0.29 -0.93 1.46 5.85 -0.27 0.68 115.31 123.32 1k2x h LEU 153 Ca 0.21 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1k2x h LEU 153 Cb 0.23 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1k2x h LEU 153 CO -0.01 0.44 0.60 -0.07 -0.34 0.00 0.00 178.44 179.06 1k2x h LEU 154 N 0.13 1.00 -0.39 2.25 3.38 -0.93 -0.54 115.31 120.22 1k2x h LEU 154 Ca 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1k2x h LEU 154 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1k2x h LEU 154 CO 0.00 0.69 0.01 0.00 0.09 0.00 0.00 178.44 179.22 1k2x h ALA 155 N 1.39 0.52 -0.63 1.53 0.00 -0.88 -3.04 119.26 118.15 1k2x h ALA 155 Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1k2x h ALA 155 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1k2x h ALA 155 CO -0.12 0.29 0.41 0.00 0.00 0.00 0.00 179.25 179.83 1k2x h ALA 156 N 0.88 1.54 0.00 0.00 0.00 -0.11 -3.51 119.26 118.06 1k2x h ALA 156 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1k2x h ALA 156 Cb 0.46 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1k2x h ALA 156 CO 0.02 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.23