#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnx n ARG 3 N 0.00 1.34 0.00 1.61 5.12 -1.26 -4.71 116.66 118.76 1pnx n ARG 3 Ca 0.00 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 1pnx n ARG 3 Cb 0.00 -2.55 0.00 0.00 -1.16 0.00 0.00 32.46 28.75 1pnx n ARG 3 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1pnx n TYR 4 N 9.27 0.00 -2.15 -1.55 9.36 -1.26 -4.89 117.16 125.95 1pnx n TYR 4 Ca 0.36 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.57 1pnx n TYR 4 Cb 0.26 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.95 1pnx n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1pnx n ILE 5 N 0.00 -7.95 0.00 2.97 5.41 -1.26 -5.09 119.36 113.43 1pnx n ILE 5 Ca 0.00 1.24 0.00 0.00 1.00 0.00 0.00 62.75 64.99 1pnx n ILE 5 Cb 0.00 -5.47 0.00 0.00 -0.71 0.00 0.00 39.64 33.46 1pnx n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pnx n GLY 6 N 0.61 -0.04 3.52 7.39 0.00 -1.26 -5.11 105.19 110.30 1pnx n GLY 6 Ca -0.09 -1.03 -0.58 0.00 0.00 0.00 0.00 46.02 44.32 1pnx n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pnx n PRO 7 N -0.37 0.19 -0.05 1.61 -0.04 -1.26 -4.86 135.00 130.23 1pnx n PRO 7 Ca 0.00 0.07 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1pnx n PRO 7 Cb 0.00 -1.59 -0.07 0.00 -0.04 0.00 0.00 33.50 31.80 1pnx n PRO 7 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1pnx n VAL 8 N 1.72 0.67 0.54 0.52 0.31 -1.26 -4.40 118.33 116.43 1pnx n VAL 8 Ca 0.20 -0.36 0.05 0.00 -0.01 0.00 0.00 64.34 64.22 1pnx n VAL 8 Cb 0.10 -0.81 0.28 0.00 -0.91 0.00 0.00 33.84 32.50 1pnx n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pnx h ARG 10 N 0.00 0.00 0.06 0.00 0.11 -1.94 -2.78 114.38 109.83 1pnx h ARG 10 Ca 0.00 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 1pnx h ARG 10 Cb 0.08 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.18 1pnx h ARG 10 CO 0.00 0.38 -0.77 -0.07 0.10 0.00 0.00 179.97 179.61 1pnx h LEU 11 N 0.00 0.58 -0.65 0.08 3.38 -1.31 -1.71 115.31 115.69 1pnx h LEU 11 Ca -0.03 -0.82 0.12 0.00 0.09 0.00 0.00 57.88 57.24 1pnx h LEU 11 Cb 1.35 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.79 1pnx h LEU 11 CO 0.05 1.34 -0.25 0.00 0.09 0.00 0.00 178.44 179.67 1pnx h ARG 13 N -0.08 0.46 -0.51 0.00 3.08 -1.41 -2.65 114.38 113.27 1pnx h ARG 13 Ca 0.29 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1pnx h ARG 13 Cb 0.53 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1pnx h ARG 13 CO -0.70 0.46 0.29 -0.09 -1.07 0.00 0.00 179.97 178.85 1pnx h ARG 14 N 0.36 0.69 -0.05 0.04 9.65 -0.51 0.11 114.38 124.67 1pnx h ARG 14 Ca 0.11 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1pnx h ARG 14 Cb 0.16 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1pnx h ARG 14 CO -0.01 0.50 0.00 0.39 2.80 0.00 0.00 179.97 183.65 1pnx n GLU 15 N -4.42 1.30 -1.06 0.20 4.71 -0.58 -4.86 120.64 115.93 1pnx n GLU 15 Ca 0.04 -0.45 -0.07 0.00 -0.01 0.00 0.00 57.16 56.68 1pnx n GLU 15 Cb 0.09 -1.38 -0.03 0.00 -1.01 0.00 0.00 31.44 29.11 1pnx n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pnx n GLY 16 N 0.98 0.62 3.02 0.62 0.00 0.39 -4.86 105.19 105.96 1pnx n GLY 16 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1pnx n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pnx s VAL 17 N -1.43 0.45 0.26 1.61 1.01 -1.07 -5.02 120.40 116.22 1pnx s VAL 17 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1pnx s VAL 17 Cb 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 36.38 35.79 1pnx s VAL 17 CO 0.00 -0.25 1.47 -0.75 0.00 0.00 0.00 175.10 175.57 1pnx s LYS 18 N -1.14 4.23 -0.07 2.72 2.20 -1.26 -4.54 119.74 121.88 1pnx s LYS 18 Ca -0.07 2.37 0.02 0.00 -0.36 0.00 0.00 55.97 57.92 1pnx s LYS 18 Cb -0.08 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 1pnx s LYS 18 CO 0.00 -0.46 -0.10 -0.51 -0.36 0.00 0.00 175.35 173.91 1pnx s LEU 19 N -0.47 1.53 -1.24 5.43 1.43 -1.26 -5.04 118.68 119.06 1pnx s LEU 19 Ca 0.60 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 53.32 1pnx s LEU 19 Cb -0.43 -0.78 0.18 0.00 0.03 0.00 0.00 46.19 45.19 1pnx s LEU 19 CO 0.45 -0.00 1.72 -1.22 0.23 0.00 0.00 176.35 177.53 1pnx n TYR 20 N 4.01 3.44 -0.59 0.29 0.53 -1.26 -4.64 117.16 118.94 1pnx n TYR 20 Ca -0.22 -2.94 0.07 0.00 -1.02 0.00 0.00 57.90 53.80 1pnx n TYR 20 Cb 0.51 -1.94 0.35 0.00 -1.03 0.00 0.00 39.34 37.23 1pnx n TYR 20 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1pnx n LEU 21 N 4.06 4.93 0.00 7.72 4.77 -1.26 -4.10 117.00 133.13 1pnx n LEU 21 Ca 0.38 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 1pnx n LEU 21 Cb 0.38 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1pnx n LEU 21 CO 0.75 0.66 0.11 0.29 -1.33 0.00 0.00 177.39 177.87 1pnx n LYS 22 N 0.76 0.00 0.00 3.23 5.02 -1.26 -4.82 118.16 121.09 1pnx n LYS 22 Ca 0.25 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1pnx n LYS 22 Cb 0.99 -0.28 0.00 0.00 -0.02 0.00 0.00 35.03 35.73 1pnx n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pnx n GLY 23 N 0.00 1.07 3.49 0.72 0.00 -1.23 -4.54 105.19 104.71 1pnx n GLY 23 Ca 0.00 0.59 -0.28 0.00 0.00 0.00 0.00 46.02 46.33 1pnx n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pnx s GLU 24 N 0.00 -0.97 0.00 1.61 2.12 -1.26 -3.13 118.70 117.07 1pnx s GLU 24 Ca 0.00 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.10 1pnx s GLU 24 Cb 0.00 -1.55 0.00 0.00 0.26 0.00 0.00 34.13 32.84 1pnx s GLU 24 CO 0.00 -3.74 0.00 -2.13 -0.54 0.00 0.00 175.26 168.85 1pnx n ARG 25 N -4.92 0.00 0.00 4.30 0.63 -1.26 -4.59 116.66 110.82 1pnx n ARG 25 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1pnx n ARG 25 Cb 0.55 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.44 1pnx n ARG 25 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pnx n TYR 27 N 0.48 -1.07 -1.56 0.00 4.02 -1.26 -4.79 117.16 112.97 1pnx n TYR 27 Ca 0.00 0.19 -0.46 0.00 -0.01 0.00 0.00 57.90 57.62 1pnx n TYR 27 Cb 0.01 0.30 -0.04 0.00 -0.02 0.00 0.00 39.34 39.58 1pnx n TYR 27 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1pnx n SER 28 N -3.34 2.98 -0.11 7.72 3.41 0.19 -4.50 113.62 119.98 1pnx n SER 28 Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1pnx n SER 28 Cb 0.05 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.55 1pnx n SER 28 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1pnx n PRO 29 N 8.37 0.00 0.00 4.33 -0.02 -1.26 -3.86 135.00 142.57 1pnx n PRO 29 Ca 0.32 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1pnx n PRO 29 Cb 0.37 -0.03 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 1pnx n PRO 29 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1pnx n LYS 30 N 0.08 0.00 0.00 -0.52 5.02 -1.26 -4.87 118.16 116.61 1pnx n LYS 30 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1pnx n LYS 30 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 1pnx n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pnx n ALA 32 N -0.97 0.00 0.61 0.00 0.00 -1.26 -4.59 120.51 114.30 1pnx n ALA 32 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1pnx n ALA 32 Cb 0.01 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.76 1pnx n ALA 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1pnx n MET 33 N -0.00 0.29 -3.54 0.00 2.81 -1.26 -2.79 117.12 112.63 1pnx n MET 33 Ca 0.00 0.03 -0.40 0.00 -1.81 0.00 0.00 57.70 55.52 1pnx n MET 33 Cb 0.00 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 30.90 1pnx n MET 33 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1pnx s GLU 34 N -2.10 3.49 -1.41 0.03 2.56 -1.26 -4.23 118.70 115.78 1pnx s GLU 34 Ca 0.14 -0.64 -0.07 0.00 0.00 0.00 0.00 54.97 54.40 1pnx s GLU 34 Cb 0.07 -3.79 0.04 0.00 2.00 0.00 0.00 34.13 32.45 1pnx s GLU 34 CO 0.12 -0.44 0.87 0.54 -0.56 0.00 0.00 175.26 175.80 1pnx n ARG 35 N 5.10 -5.44 0.00 4.30 1.74 -1.26 -4.77 116.66 116.32 1pnx n ARG 35 Ca -0.13 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1pnx n ARG 35 Cb 0.50 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.56 1pnx n ARG 35 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1pnx n ARG 36 N -4.51 0.00 0.00 5.56 0.63 -1.12 -5.04 116.66 112.18 1pnx n ARG 36 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1pnx n ARG 36 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 1pnx n ARG 36 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1pnx n PRO 37 N 0.00 0.58 -3.53 -0.14 -0.02 -1.25 -4.56 135.00 126.08 1pnx n PRO 37 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1pnx n PRO 37 Cb 0.00 -1.10 -0.05 0.00 -0.02 0.00 0.00 33.50 32.32 1pnx n PRO 37 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1pnx s TYR 38 N -1.64 3.48 0.65 6.00 -0.85 -1.26 -4.54 117.35 119.19 1pnx s TYR 38 Ca 0.00 0.76 -0.17 0.00 -0.52 0.00 0.00 57.07 57.13 1pnx s TYR 38 Cb 0.00 -2.16 -0.06 0.00 0.38 0.00 0.00 41.96 40.12 1pnx s TYR 38 CO 0.00 0.39 0.56 -0.35 -1.52 0.00 0.00 175.55 174.63 1pnx n PRO 39 N 0.20 0.44 -1.12 -3.49 -0.04 -1.23 -4.76 135.00 125.00 1pnx n PRO 39 Ca -0.02 0.18 -0.29 0.00 -0.04 0.00 0.00 63.50 63.33 1pnx n PRO 39 Cb 0.52 -1.81 0.16 0.00 -0.04 0.00 0.00 33.50 32.34 1pnx n PRO 39 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1pnx s PRO 40 N -2.48 0.80 0.00 0.54 0.04 -1.26 -3.88 135.00 128.76 1pnx s PRO 40 Ca 0.68 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1pnx s PRO 40 Cb -0.39 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1pnx s PRO 40 CO 0.55 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 175.47 1pnx n GLY 41 N -0.91 0.51 0.17 0.56 0.00 -1.26 -4.03 105.19 100.23 1pnx n GLY 41 Ca 0.06 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.36 1pnx n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pnx h GLN 42 N 0.00 0.00 0.00 1.61 4.15 -2.05 -1.56 115.11 117.25 1pnx h GLN 42 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pnx h GLN 42 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1pnx h GLN 42 CO 0.00 0.00 -0.43 0.72 -1.93 0.00 0.00 178.83 177.19 1pnx n HIS 43 N -2.02 0.00 -0.23 3.99 8.25 -1.26 -4.79 115.22 119.16 1pnx n HIS 43 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1pnx n HIS 43 Cb 0.42 -0.02 0.24 0.00 1.12 0.00 0.00 29.99 31.75 1pnx n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pnx n GLY 44 N 1.26 -0.83 0.17 -1.41 0.00 -0.59 -0.21 105.19 103.59 1pnx n GLY 44 Ca 0.01 0.63 0.13 0.00 0.00 0.00 0.00 46.02 46.79 1pnx n GLY 44 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pnx h GLN 45 N 0.00 0.00 -7.21 1.61 4.20 -1.83 -3.39 115.11 108.49 1pnx h GLN 45 Ca 0.44 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.63 1pnx h GLN 45 Cb 0.98 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.89 1pnx h GLN 45 CO -0.61 0.00 0.36 0.15 -0.67 0.00 0.00 178.83 178.06 1pnx s LYS 46 N -3.22 2.30 0.36 1.46 1.02 0.71 -4.96 119.74 117.41 1pnx s LYS 46 Ca 0.08 1.53 -0.28 0.00 0.02 0.00 0.00 55.97 57.31 1pnx s LYS 46 Cb 0.09 -1.88 -0.11 0.00 -0.52 0.00 0.00 37.83 35.41 1pnx s LYS 46 CO 0.61 -1.67 1.42 0.50 -0.92 0.00 0.00 175.35 175.29 1pnx s ARG 47 N -4.17 4.19 0.10 1.68 3.52 -1.26 -5.01 118.95 118.01 1pnx s ARG 47 Ca 0.69 2.45 -0.16 0.00 -0.13 0.00 0.00 55.73 58.58 1pnx s ARG 47 Cb -0.24 -3.00 -0.07 0.00 -1.56 0.00 0.00 34.95 30.09 1pnx s ARG 47 CO 0.46 -0.41 0.53 0.00 -0.81 0.00 0.00 175.30 175.07 1pnx s ALA 48 N -1.13 3.60 0.32 6.12 0.00 -1.26 -5.08 121.76 124.33 1pnx s ALA 48 Ca 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 1pnx s ALA 48 Cb -0.44 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1pnx s ALA 48 CO 0.60 0.44 0.54 1.03 0.00 0.00 0.00 175.76 178.36 1pnx s ARG 49 N -1.53 3.52 -0.43 0.00 0.52 -1.26 -4.99 118.95 114.78 1pnx s ARG 49 Ca 0.33 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.97 1pnx s ARG 49 Cb -0.17 -2.67 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 1pnx s ARG 49 CO 0.18 0.18 2.32 -2.13 0.02 0.00 0.00 175.30 175.88 1pnx n ARG 50 N -1.52 1.15 -1.55 3.54 0.00 -1.26 -4.90 116.66 112.12 1pnx n ARG 50 Ca -0.04 0.23 -0.37 0.00 -0.00 0.00 0.00 57.85 57.67 1pnx n ARG 50 Cb 0.55 -2.83 0.07 0.00 0.00 0.00 0.00 32.46 30.26 1pnx n ARG 50 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1pnx n PRO 51 N 8.60 0.79 -2.51 -0.14 -0.02 -1.26 -5.00 135.00 135.46 1pnx n PRO 51 Ca 0.40 0.32 -0.30 0.00 -2.02 0.00 0.00 63.50 61.90 1pnx n PRO 51 Cb 0.35 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1pnx n PRO 51 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pnx s SER 52 N -1.42 6.42 0.35 2.55 1.04 -1.26 -4.84 113.70 116.54 1pnx s SER 52 Ca 0.77 1.23 0.13 0.00 0.48 0.00 0.00 55.95 58.55 1pnx s SER 52 Cb -0.38 -2.37 0.95 0.00 0.10 0.00 0.00 66.02 64.31 1pnx s SER 52 CO 0.46 -0.58 1.76 0.44 0.98 0.00 0.00 173.24 176.31 1pnx h ASP 53 N 0.62 0.60 0.70 7.02 5.19 -2.00 0.19 116.42 128.74 1pnx h ASP 53 Ca -0.46 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.01 1pnx h ASP 53 Cb 1.19 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.71 1pnx h ASP 53 CO 0.62 0.14 -0.34 0.22 -3.12 0.00 0.00 179.24 176.77 1pnx h TYR 54 N 0.54 -0.87 -0.83 4.55 3.20 -1.99 -1.74 116.97 119.84 1pnx h TYR 54 Ca 0.60 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.62 1pnx h TYR 54 Cb 1.25 0.29 -0.16 0.00 1.54 0.00 0.00 36.73 39.66 1pnx h TYR 54 CO -0.00 -0.52 -0.16 0.00 -1.64 0.00 0.00 178.16 175.84 1pnx h ALA 55 N -0.82 0.62 0.25 1.82 0.00 -1.09 1.10 119.26 121.13 1pnx h ALA 55 Ca -0.10 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1pnx h ALA 55 Cb 0.75 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1pnx h ALA 55 CO 0.16 -0.42 -0.12 0.28 0.00 0.00 0.00 179.25 179.15 1pnx h VAL 56 N 0.01 0.77 -0.48 0.00 2.07 -0.81 0.29 116.25 118.11 1pnx h VAL 56 Ca 0.41 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.81 1pnx h VAL 56 Cb 0.66 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1pnx h VAL 56 CO -0.83 0.02 0.14 0.03 0.02 0.00 0.00 177.57 176.95 1pnx h ARG 57 N -0.38 0.71 0.79 1.57 -0.00 -0.19 -0.07 114.38 116.81 1pnx h ARG 57 Ca -0.03 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.98 59.28 1pnx h ARG 57 Cb 0.29 -0.12 0.01 0.00 0.00 0.00 0.00 29.97 30.15 1pnx h ARG 57 CO 0.06 0.63 -0.38 1.25 0.00 0.00 0.00 179.97 181.53 1pnx h LEU 58 N 0.70 -0.90 -1.22 3.04 7.12 0.16 -2.47 115.31 121.73 1pnx h LEU 58 Ca 0.16 0.03 0.21 0.00 0.13 0.00 0.00 57.88 58.41 1pnx h LEU 58 Cb 0.23 0.23 -0.09 0.00 -0.53 0.00 0.00 40.66 40.50 1pnx h LEU 58 CO -0.01 -0.57 0.62 0.03 -0.13 0.00 0.00 178.44 178.39 1pnx h ARG 59 N -1.21 0.57 -0.22 1.25 2.47 -0.20 -1.52 114.38 115.52 1pnx h ARG 59 Ca -0.11 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.56 1pnx h ARG 59 Cb 0.81 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1pnx h ARG 59 CO 0.18 0.38 0.06 1.49 0.56 0.00 0.00 179.97 182.63 1pnx h GLU 60 N 0.59 0.34 -0.06 0.04 4.57 -0.88 -2.22 114.58 116.96 1pnx h GLU 60 Ca 0.55 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.65 1pnx h GLU 60 Cb 1.10 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1pnx h GLU 60 CO -0.31 0.45 0.03 -0.22 -1.18 0.00 0.00 179.01 177.78 1pnx h LYS 61 N 0.17 0.08 -0.96 1.92 3.64 -0.84 -2.25 116.57 118.33 1pnx h LYS 61 Ca 0.07 -0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.65 1pnx h LYS 61 Cb 0.26 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.98 1pnx h LYS 61 CO -0.00 0.12 0.62 1.96 -2.27 0.00 0.00 179.45 179.88 1pnx h GLN 62 N 0.01 0.47 0.00 1.90 1.08 -1.27 0.64 115.11 117.95 1pnx h GLN 62 Ca 0.02 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1pnx h GLN 62 Cb 0.07 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1pnx h GLN 62 CO -0.00 0.31 0.00 1.17 -0.95 0.00 0.00 178.83 179.36 1pnx n LYS 63 N -4.59 0.00 -0.37 1.46 4.81 -0.84 -0.31 118.16 118.32 1pnx n LYS 63 Ca 0.22 0.25 0.32 0.00 -0.87 0.00 0.00 58.31 58.23 1pnx n LYS 63 Cb 0.71 -1.09 0.55 0.00 0.02 0.00 0.00 35.03 35.23 1pnx n LYS 63 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1pnx n LEU 64 N -1.25 0.20 -0.02 3.14 -0.00 -0.89 -0.39 117.00 117.80 1pnx n LEU 64 Ca 0.00 1.21 -0.17 0.00 -0.00 0.00 0.00 56.01 57.05 1pnx n LEU 64 Cb 0.00 -0.59 -0.14 0.00 -0.00 0.00 0.00 43.42 42.69 1pnx n LEU 64 CO 0.00 -1.32 0.25 -0.09 -0.00 0.00 0.00 177.39 176.22 1pnx h ARG 65 N 0.00 0.14 0.00 1.96 2.43 -0.84 -3.28 114.38 114.80 1pnx h ARG 65 Ca 0.73 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1pnx h ARG 65 Cb 2.28 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.92 1pnx h ARG 65 CO -0.44 1.09 0.00 0.00 -1.51 0.00 0.00 179.97 179.11 1pnx h ARG 66 N -0.70 0.00 -0.44 0.20 3.08 0.22 -1.15 114.38 115.59 1pnx h ARG 66 Ca -0.06 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1pnx h ARG 66 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 1pnx h ARG 66 CO 0.07 0.00 -0.04 0.82 -1.07 0.00 0.00 179.97 179.75 1pnx h ILE 67 N 0.00 1.24 -0.53 2.04 2.04 -1.30 -2.62 117.51 118.39 1pnx h ILE 67 Ca 0.00 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 1pnx h ILE 67 Cb 0.16 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1pnx h ILE 67 CO 0.00 0.36 0.06 -1.22 0.00 0.00 0.00 178.15 177.35 1pnx n TYR 68 N -4.20 1.86 -3.97 1.37 4.02 -0.46 -4.95 117.16 110.84 1pnx n TYR 68 Ca 0.02 -0.90 -0.35 0.00 -0.01 0.00 0.00 57.90 56.66 1pnx n TYR 68 Cb 0.32 -0.51 -0.06 0.00 -0.02 0.00 0.00 39.34 39.06 1pnx n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pnx n GLY 69 N 0.11 -0.32 3.79 2.72 0.00 -0.99 -4.89 105.19 105.61 1pnx n GLY 69 Ca 0.29 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 1pnx n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pnx s ILE 70 N -2.84 4.61 0.45 -0.61 1.01 -1.22 -4.80 121.20 117.81 1pnx s ILE 70 Ca 0.67 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 60.36 1pnx s ILE 70 Cb -0.39 -3.23 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 1pnx s ILE 70 CO 0.83 0.13 1.11 -0.94 0.00 0.00 0.00 174.94 176.07 1pnx s SER 71 N -2.40 6.32 0.16 3.58 1.04 -1.26 -4.78 113.70 116.36 1pnx s SER 71 Ca 0.30 2.16 -0.16 0.00 0.48 0.00 0.00 55.95 58.73 1pnx s SER 71 Cb -0.12 -2.59 0.10 0.00 0.10 0.00 0.00 66.02 63.51 1pnx s SER 71 CO 0.23 -0.81 1.70 -0.08 0.98 0.00 0.00 173.24 175.26 1pnx h GLU 72 N 2.02 0.10 -0.80 4.02 4.57 -1.99 0.11 114.58 122.62 1pnx h GLU 72 Ca -0.49 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 57.79 1pnx h GLU 72 Cb 1.24 -0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.68 1pnx h GLU 72 CO 0.60 0.06 -0.46 -0.09 -1.18 0.00 0.00 179.01 177.95 1pnx h ARG 73 N 0.10 -0.11 -0.31 1.92 9.65 -2.00 0.39 114.38 124.02 1pnx h ARG 73 Ca 0.19 0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 58.91 1pnx h ARG 73 Cb 0.27 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1pnx h ARG 73 CO -0.32 -0.07 -0.45 1.96 2.80 0.00 0.00 179.97 183.89 1pnx h GLN 74 N -0.11 0.86 0.09 0.20 4.20 -1.81 -3.06 115.11 115.47 1pnx h GLN 74 Ca 0.22 -0.50 0.02 0.00 0.06 0.00 0.00 58.65 58.46 1pnx h GLN 74 Cb 0.54 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1pnx h GLN 74 CO -0.83 1.14 -0.32 0.35 -0.67 0.00 0.00 178.83 178.50 1pnx h PHE 75 N 0.64 -0.88 -0.50 2.96 3.57 0.45 -2.30 116.94 120.89 1pnx h PHE 75 Ca 0.03 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.65 1pnx h PHE 75 Cb 1.05 0.37 -0.08 0.00 2.79 0.00 0.00 35.95 40.08 1pnx h PHE 75 CO 0.07 -0.42 0.03 -0.09 -2.23 0.00 0.00 178.31 175.67 1pnx h ARG 76 N -0.52 0.15 -0.85 1.11 9.65 -0.32 -1.51 114.38 122.08 1pnx h ARG 76 Ca 0.04 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1pnx h ARG 76 Cb 0.57 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.07 1pnx h ARG 76 CO -0.21 0.10 0.55 -0.91 2.80 0.00 0.00 179.97 182.30 1pnx h ASN 77 N 0.15 0.98 -0.21 -3.80 2.35 -1.39 0.86 115.58 114.52 1pnx h ASN 77 Ca 0.25 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1pnx h ASN 77 Cb 0.38 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1pnx h ASN 77 CO -0.39 0.72 0.13 -0.07 -1.65 0.00 0.00 177.43 176.17 1pnx h LEU 78 N 1.16 0.25 0.07 1.61 3.38 -0.74 -0.72 115.31 120.32 1pnx h LEU 78 Ca 0.31 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1pnx h LEU 78 Cb -0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1pnx h LEU 78 CO -0.06 0.23 -0.14 0.15 0.09 0.00 0.00 178.44 178.70 1pnx h PHE 79 N 0.25 -0.37 0.00 1.13 3.57 -0.43 0.31 116.94 121.40 1pnx h PHE 79 Ca 0.08 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1pnx h PHE 79 Cb 0.03 0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1pnx h PHE 79 CO -0.05 -0.22 0.00 0.93 -2.23 0.00 0.00 178.31 176.75 1pnx h GLU 80 N -0.28 0.00 0.15 1.11 4.39 -0.70 0.39 114.58 119.64 1pnx h GLU 80 Ca 0.03 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.51 1pnx h GLU 80 Cb 0.30 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1pnx h GLU 80 CO -0.09 0.00 -0.98 1.49 -1.16 0.00 0.00 179.01 178.26 1pnx h GLU 81 N 0.00 0.32 0.00 2.33 4.81 0.30 -3.18 114.58 119.16 1pnx h GLU 81 Ca 0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1pnx h GLU 81 Cb 0.12 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1pnx h GLU 81 CO 0.00 1.26 0.00 0.00 -0.73 0.00 0.00 179.01 179.54 1pnx n ALA 82 N -2.73 1.84 -0.01 2.92 0.00 0.96 -2.46 120.51 121.03 1pnx n ALA 82 Ca -0.16 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 1pnx n ALA 82 Cb 0.87 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 1pnx n ALA 82 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1pnx h SER 83 N 0.00 0.11 0.10 0.00 0.02 -0.98 -3.39 113.55 109.42 1pnx h SER 83 Ca 0.00 -0.25 -0.16 0.00 -0.84 0.00 0.00 61.79 60.53 1pnx h SER 83 Cb 0.20 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 62.72 1pnx h SER 83 CO 0.00 1.22 -0.70 0.11 -1.14 0.00 0.00 176.83 176.32 1pnx h LYS 84 N 0.02 0.30 -7.03 3.45 1.57 -1.46 -3.46 116.57 109.95 1pnx h LYS 84 Ca -0.31 -0.46 -0.55 0.00 -1.87 0.00 0.00 60.65 57.46 1pnx h LYS 84 Cb 2.02 0.16 0.13 0.00 0.08 0.00 0.00 32.23 34.62 1pnx h LYS 84 CO 0.09 1.19 0.65 0.15 -0.57 0.00 0.00 179.45 180.95 1pnx s LYS 85 N -2.58 3.31 0.93 3.15 1.02 -1.05 -4.95 119.74 119.56 1pnx s LYS 85 Ca -0.14 2.32 -0.12 0.00 0.02 0.00 0.00 55.97 58.05 1pnx s LYS 85 Cb 0.01 -2.39 0.08 0.00 -0.52 0.00 0.00 37.83 35.01 1pnx s LYS 85 CO 0.82 -1.08 0.73 1.63 -0.92 0.00 0.00 175.35 176.52 1pnx n LYS 86 N -0.76 -0.34 0.00 1.68 5.02 -1.26 -4.84 118.16 117.66 1pnx n LYS 86 Ca 0.09 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1pnx n LYS 86 Cb 0.44 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1pnx n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pnx n GLY 87 N 0.98 -0.51 2.17 0.72 0.00 -1.26 -4.86 105.19 102.43 1pnx n GLY 87 Ca 0.09 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 1pnx n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pnx n VAL 88 N 0.31 0.00 -0.26 1.61 0.31 -1.26 -4.74 118.33 114.30 1pnx n VAL 88 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1pnx n VAL 88 Cb 0.00 -0.32 0.02 0.00 -0.91 0.00 0.00 33.84 32.63 1pnx n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1pnx h THR 89 N 4.85 0.11 -0.39 2.52 2.02 -1.88 -1.73 112.91 118.41 1pnx h THR 89 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1pnx h THR 89 Cb 0.87 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1pnx h THR 89 CO 0.81 0.00 -0.23 0.61 0.37 0.00 0.00 175.52 177.08 1pnx n GLY 90 N -1.45 -2.35 0.11 2.16 0.00 -1.26 -0.52 105.19 101.89 1pnx n GLY 90 Ca 0.06 0.71 -0.13 0.00 0.00 0.00 0.00 46.02 46.67 1pnx n GLY 90 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pnx h SER 91 N 0.00 0.28 -1.02 1.61 4.64 -1.83 -2.87 113.55 114.35 1pnx h SER 91 Ca 0.06 -0.45 0.31 0.00 -0.47 0.00 0.00 61.79 61.25 1pnx h SER 91 Cb 0.16 -0.08 -0.14 0.00 -0.31 0.00 0.00 62.40 62.03 1pnx h SER 91 CO -0.36 0.66 0.59 0.58 -0.87 0.00 0.00 176.83 177.43 1pnx h VAL 92 N -0.11 0.35 0.33 0.95 2.07 -0.65 0.49 116.25 119.68 1pnx h VAL 92 Ca 0.02 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1pnx h VAL 92 Cb 0.57 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1pnx h VAL 92 CO 0.02 0.07 -0.16 0.15 0.02 0.00 0.00 177.57 177.67 1pnx h PHE 93 N 0.37 -0.41 -0.50 1.57 -0.00 -0.66 -2.41 116.94 114.90 1pnx h PHE 93 Ca 0.72 -0.01 0.03 0.00 -0.00 0.00 0.00 57.97 58.71 1pnx h PHE 93 Cb 1.62 0.14 -0.03 0.00 -0.00 0.00 0.00 35.95 37.68 1pnx h PHE 93 CO -0.01 -0.21 0.33 -0.07 -0.00 0.00 0.00 178.31 178.35 1pnx h LEU 94 N -0.51 0.48 0.18 0.59 3.38 -0.01 -1.60 115.31 117.83 1pnx h LEU 94 Ca -0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1pnx h LEU 94 Cb 0.38 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1pnx h LEU 94 CO 0.07 0.33 -0.19 1.23 0.09 0.00 0.00 178.44 179.98 1pnx h GLY 95 N 0.56 -0.40 1.45 0.83 0.00 -0.14 -1.18 103.07 104.19 1pnx h GLY 95 Ca 0.20 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.77 1pnx h GLY 95 CO -0.05 -0.18 0.34 1.41 0.00 0.00 0.00 176.54 178.05 1pnx h LEU 96 N -0.41 0.55 -0.80 3.11 4.07 -0.92 -1.29 115.31 119.61 1pnx h LEU 96 Ca 0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1pnx h LEU 96 Cb 0.39 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 1pnx h LEU 96 CO -0.06 0.39 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.48 1pnx h LEU 97 N 0.64 0.75 -0.01 1.67 3.38 -0.79 -2.65 115.31 118.30 1pnx h LEU 97 Ca 0.20 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pnx h LEU 97 Cb 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1pnx h LEU 97 CO -0.05 0.90 -0.01 1.21 0.09 0.00 0.00 178.44 180.59 1pnx n GLU 98 N -4.15 0.29 -0.09 1.13 4.07 -0.49 -3.39 120.64 118.01 1pnx n GLU 98 Ca 0.01 -0.01 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 1pnx n GLU 98 Cb 0.38 -1.50 0.33 0.00 -0.06 0.00 0.00 31.44 30.58 1pnx n GLU 98 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1pnx n SER 99 N -1.35 2.24 -4.70 4.31 7.64 -0.74 -4.35 113.62 116.68 1pnx n SER 99 Ca 0.12 -1.78 -0.42 0.00 1.01 0.00 0.00 58.87 57.79 1pnx n SER 99 Cb 0.28 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 1pnx n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1pnx s ARG 100 N -1.77 4.30 0.25 1.43 0.52 -1.22 -0.02 118.95 122.44 1pnx s ARG 100 Ca 0.34 2.00 -0.06 0.00 -0.52 0.00 0.00 55.73 57.50 1pnx s ARG 100 Cb 0.20 -3.48 0.48 0.00 0.52 0.00 0.00 34.95 32.67 1pnx s ARG 100 CO 0.29 -0.53 1.64 1.25 0.02 0.00 0.00 175.30 177.97 1pnx h LEU 101 N 7.86 -0.27 -1.75 2.53 5.85 0.14 0.56 115.31 130.23 1pnx h LEU 101 Ca -0.39 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1pnx h LEU 101 Cb 1.19 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 1pnx h LEU 101 CO 0.89 -0.17 -0.09 -2.24 -0.34 0.00 0.00 178.44 176.49 1pnx h ASP 102 N 0.13 0.04 0.13 1.25 2.03 -1.78 -1.30 116.42 116.93 1pnx h ASP 102 Ca 0.43 -0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.72 1pnx h ASP 102 Cb 0.78 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 1pnx h ASP 102 CO -0.65 0.14 -0.06 -1.13 -1.03 0.00 0.00 179.24 176.50 1pnx h ASN 103 N 0.04 -0.15 -0.60 4.15 -1.24 -0.26 -3.10 115.58 114.41 1pnx h ASN 103 Ca 0.01 -0.40 0.09 0.00 0.71 0.00 0.00 56.30 56.72 1pnx h ASN 103 Cb 0.19 0.04 -0.11 0.00 0.73 0.00 0.00 38.32 39.17 1pnx h ASN 103 CO 0.01 0.43 -0.41 0.58 -1.29 0.00 0.00 177.43 176.75 1pnx h VAL 104 N -0.85 0.10 -0.77 2.57 2.07 -0.65 0.36 116.25 119.09 1pnx h VAL 104 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1pnx h VAL 104 Cb 0.54 0.10 -0.14 0.00 -1.52 0.00 0.00 31.29 30.27 1pnx h VAL 104 CO 0.03 0.00 -0.17 0.58 0.02 0.00 0.00 177.57 178.03 1pnx h VAL 105 N -0.20 0.24 -0.09 2.57 2.07 -1.31 0.64 116.25 120.17 1pnx h VAL 105 Ca 0.20 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.72 1pnx h VAL 105 Cb 0.56 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1pnx h VAL 105 CO -0.70 0.00 0.02 0.22 0.02 0.00 0.00 177.57 177.13 1pnx h TYR 106 N 0.01 0.04 -0.82 1.57 3.20 -0.42 -2.22 116.97 118.33 1pnx h TYR 106 Ca 0.37 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.37 1pnx h TYR 106 Cb 0.59 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 1pnx h TYR 106 CO -0.59 0.02 0.53 0.00 -1.64 0.00 0.00 178.16 176.49 1pnx h ARG 107 N 0.06 0.64 -0.31 1.82 2.47 0.33 -1.69 114.38 117.70 1pnx h ARG 107 Ca 0.04 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1pnx h ARG 107 Cb 0.03 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1pnx h ARG 107 CO -0.05 0.42 0.00 1.28 0.56 0.00 0.00 179.97 182.19 1pnx n LEU 108 N -4.52 1.18 0.00 3.04 4.77 0.18 -4.81 117.00 116.85 1pnx n LEU 108 Ca 0.15 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1pnx n LEU 108 Cb 0.41 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1pnx n LEU 108 CO 0.31 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1pnx n GLY 109 N 0.67 1.71 0.16 -0.72 0.00 -0.64 -4.88 105.19 101.50 1pnx n GLY 109 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1pnx n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1pnx h PHE 110 N 0.00 0.04 -2.81 1.61 0.04 -1.74 -3.41 116.94 110.67 1pnx h PHE 110 Ca 0.00 0.02 -0.59 0.00 2.80 0.00 0.00 57.97 60.21 1pnx h PHE 110 Cb 0.00 0.04 -0.09 0.00 2.20 0.00 0.00 35.95 38.10 1pnx h PHE 110 CO 0.00 -0.03 -0.60 0.00 -0.60 0.00 0.00 178.31 177.07 1pnx s ALA 111 N -6.17 3.43 0.12 2.45 0.00 -1.25 -4.71 121.76 115.62 1pnx s ALA 111 Ca -0.13 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 1pnx s ALA 111 Cb 0.13 -1.23 -0.13 0.00 0.00 0.00 0.00 23.12 21.89 1pnx s ALA 111 CO 0.71 0.51 1.27 0.28 0.00 0.00 0.00 175.76 178.53 1pnx h VAL 112 N 2.25 1.41 -1.27 0.00 2.07 -1.92 -3.44 116.25 115.36 1pnx h VAL 112 Ca -0.47 -2.55 -0.64 0.00 0.82 0.00 0.00 66.70 63.85 1pnx h VAL 112 Cb 1.20 2.52 -0.13 0.00 -1.52 0.00 0.00 31.29 33.36 1pnx h VAL 112 CO 0.61 0.76 -0.50 -0.94 0.02 0.00 0.00 177.57 177.53 1pnx s SER 113 N -7.11 3.60 0.08 0.57 1.04 -1.26 -3.52 113.70 107.11 1pnx s SER 113 Ca -0.06 -1.73 -0.02 0.00 0.48 0.00 0.00 55.95 54.63 1pnx s SER 113 Cb 0.08 0.66 -0.27 0.00 0.10 0.00 0.00 66.02 66.59 1pnx s SER 113 CO 0.87 -0.96 1.15 0.03 0.98 0.00 0.00 173.24 175.31 1pnx h ARG 114 N 1.47 0.22 0.57 4.02 3.08 -1.88 -2.69 114.38 119.18 1pnx h ARG 114 Ca -0.39 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.25 1pnx h ARG 114 Cb 1.31 0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.50 1pnx h ARG 114 CO 0.64 1.18 -0.28 0.00 -1.07 0.00 0.00 179.97 180.44 1pnx h ARG 115 N 0.06 -0.74 -0.57 0.04 3.08 -1.95 -0.76 114.38 113.55 1pnx h ARG 115 Ca -0.12 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.10 1pnx h ARG 115 Cb 1.94 0.17 -0.11 0.00 0.08 0.00 0.00 29.97 32.05 1pnx h ARG 115 CO 0.19 -0.45 -0.22 0.37 -1.07 0.00 0.00 179.97 178.80 1pnx h GLN 116 N -0.91 -0.08 -0.82 0.04 4.15 -1.96 0.31 115.11 115.84 1pnx h GLN 116 Ca -0.08 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.43 1pnx h GLN 116 Cb 0.64 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.28 1pnx h GLN 116 CO 0.13 -0.05 0.48 0.00 -1.93 0.00 0.00 178.83 177.46 1pnx h ALA 117 N 1.35 1.16 -0.53 3.38 0.00 -1.37 -0.13 119.26 123.10 1pnx h ALA 117 Ca 0.26 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1pnx h ALA 117 Cb 0.49 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1pnx h ALA 117 CO -0.62 0.15 0.11 -0.09 0.00 0.00 0.00 179.25 178.79 1pnx h ARG 118 N 0.84 0.24 -0.29 0.00 2.43 0.11 -0.23 114.38 117.47 1pnx h ARG 118 Ca 0.38 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.49 1pnx h ARG 118 Cb 0.30 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1pnx h ARG 118 CO -0.22 0.16 -0.01 0.37 -1.51 0.00 0.00 179.97 178.76 1pnx h GLN 119 N 0.25 0.52 -0.59 0.20 4.15 -0.30 0.40 115.11 119.74 1pnx h GLN 119 Ca 0.27 -0.17 0.08 0.00 0.77 0.00 0.00 58.65 59.60 1pnx h GLN 119 Cb 0.37 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.96 1pnx h GLN 119 CO -0.35 0.68 0.25 -0.07 -1.93 0.00 0.00 178.83 177.41 1pnx h LEU 120 N 0.31 0.28 -0.01 -2.39 3.38 -0.47 1.03 115.31 117.44 1pnx h LEU 120 Ca 0.08 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1pnx h LEU 120 Cb 0.45 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1pnx h LEU 120 CO 0.02 0.18 0.01 0.58 0.09 0.00 0.00 178.44 179.31 1pnx h VAL 121 N 0.45 1.09 0.38 1.22 2.07 -0.87 -1.44 116.25 119.15 1pnx h VAL 121 Ca 0.29 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1pnx h VAL 121 Cb 0.32 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1pnx h VAL 121 CO -0.27 0.07 -0.39 0.03 0.02 0.00 0.00 177.57 177.03 1pnx h ARG 122 N -0.09 -0.77 -0.56 1.57 2.47 0.52 -2.37 114.38 115.14 1pnx h ARG 122 Ca 0.00 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1pnx h ARG 122 Cb 0.11 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1pnx h ARG 122 CO -0.00 -0.52 0.00 0.72 0.56 0.00 0.00 179.97 180.73 1pnx n HIS 123 N -5.49 0.00 0.00 3.04 8.25 0.34 -4.80 115.22 116.57 1pnx n HIS 123 Ca -0.10 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1pnx n HIS 123 Cb 0.39 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1pnx n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pnx n GLY 124 N 0.25 2.12 0.15 -1.41 0.00 -0.89 -4.87 105.19 100.53 1pnx n GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pnx n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pnx n HIS 125 N -1.94 0.00 -4.30 1.61 8.25 -0.55 -4.71 115.22 113.58 1pnx n HIS 125 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1pnx n HIS 125 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 1pnx n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pnx s ILE 126 N -1.64 1.55 0.14 1.59 -1.09 -1.24 -1.69 121.20 118.82 1pnx s ILE 126 Ca 0.00 -1.99 0.05 0.00 -2.23 0.00 0.00 60.65 56.48 1pnx s ILE 126 Cb 0.00 -1.83 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 1pnx s ILE 126 CO 0.00 -0.51 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.20 1pnx s THR 127 N -2.60 1.17 -0.35 2.92 2.01 0.63 -3.38 115.64 116.05 1pnx s THR 127 Ca 0.16 -1.98 0.02 0.00 0.31 0.00 0.00 61.69 60.21 1pnx s THR 127 Cb -0.02 -1.76 0.15 0.00 0.01 0.00 0.00 72.50 70.88 1pnx s THR 127 CO 0.05 -0.69 0.34 -0.69 -0.69 0.00 0.00 174.62 172.95 1pnx s VAL 128 N -3.09 -0.31 -0.78 3.82 1.01 -0.41 -3.27 120.40 117.37 1pnx s VAL 128 Ca 0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1pnx s VAL 128 Cb 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1pnx s VAL 128 CO 0.01 -0.59 0.25 0.59 0.00 0.00 0.00 175.10 175.36 1pnx n ASN 129 N 4.48 -3.73 0.00 3.32 3.02 -0.74 -3.89 115.26 117.73 1pnx n ASN 129 Ca 0.08 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1pnx n ASN 129 Cb 0.45 -2.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.94 1pnx n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pnx n GLY 130 N -1.11 1.35 3.13 7.41 0.00 -1.26 -5.01 105.19 109.70 1pnx n GLY 130 Ca -0.07 -0.62 -0.52 0.00 0.00 0.00 0.00 46.02 44.82 1pnx n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnx n ARG 131 N 0.00 0.00 -2.64 1.61 3.00 -1.25 -4.75 116.66 112.62 1pnx n ARG 131 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.51 1pnx n ARG 131 Cb 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 32.46 31.11 1pnx n ARG 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1pnx s ARG 132 N -0.10 4.11 -0.06 5.56 1.70 -1.26 -1.29 118.95 127.62 1pnx s ARG 132 Ca 0.79 1.05 -0.01 0.00 -0.47 0.00 0.00 55.73 57.09 1pnx s ARG 132 Cb -1.10 -2.16 0.03 0.00 -0.57 0.00 0.00 34.95 31.14 1pnx s ARG 132 CO 0.51 -0.13 0.02 0.08 -1.08 0.00 0.00 175.30 174.70 1pnx s VAL 133 N -2.36 0.19 -0.27 4.99 1.01 -1.22 -4.87 120.40 117.87 1pnx s VAL 133 Ca 0.61 0.23 0.12 0.00 0.00 0.00 0.00 61.98 62.94 1pnx s VAL 133 Cb -0.09 -0.38 0.62 0.00 0.00 0.00 0.00 36.38 36.53 1pnx s VAL 133 CO 0.21 0.22 1.60 -0.90 0.00 0.00 0.00 175.10 176.23 1pnx n ASP 134 N 5.12 4.00 -4.26 3.32 5.75 -1.25 -4.71 116.55 124.52 1pnx n ASP 134 Ca -0.07 -3.27 -0.42 0.00 -0.01 0.00 0.00 54.79 51.02 1pnx n ASP 134 Cb 0.50 -0.65 -0.08 0.00 -1.03 0.00 0.00 41.12 39.86 1pnx n ASP 134 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pnx s LEU 135 N -2.99 5.63 0.47 -2.12 1.43 -1.26 -4.16 118.68 115.67 1pnx s LEU 135 Ca 0.48 -1.73 0.18 0.00 -1.03 0.00 0.00 54.13 52.04 1pnx s LEU 135 Cb 0.40 -2.05 1.16 0.00 0.03 0.00 0.00 46.19 45.72 1pnx s LEU 135 CO 0.09 -0.68 1.98 -0.65 0.23 0.00 0.00 176.35 177.32 1pnx h PRO 136 N 8.54 0.26 -0.08 1.29 0.11 -1.90 0.27 132.00 140.49 1pnx h PRO 136 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1pnx h PRO 136 Cb 1.08 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1pnx h PRO 136 CO 0.86 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.70 1pnx n SER 137 N -4.45 0.58 -4.70 -2.05 3.41 -1.26 -2.75 113.62 102.40 1pnx n SER 137 Ca 0.10 -1.69 -0.42 0.00 -0.26 0.00 0.00 58.87 56.60 1pnx n SER 137 Cb 0.46 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1pnx n SER 137 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1pnx s TYR 138 N -1.90 2.64 -0.47 7.33 5.04 0.93 -4.77 117.35 126.15 1pnx s TYR 138 Ca 0.22 0.32 -0.23 0.00 -2.44 0.00 0.00 57.07 54.94 1pnx s TYR 138 Cb 0.11 -4.05 0.03 0.00 0.35 0.00 0.00 41.96 38.40 1pnx s TYR 138 CO 0.17 -4.11 0.78 0.50 -1.34 0.00 0.00 175.55 171.55 1pnx s ARG 139 N 1.92 3.35 0.10 4.97 3.52 -1.26 0.62 118.95 132.17 1pnx s ARG 139 Ca 0.75 -0.25 -0.31 0.00 -0.13 0.00 0.00 55.73 55.79 1pnx s ARG 139 Cb -0.45 -3.98 -0.07 0.00 -1.56 0.00 0.00 34.95 28.90 1pnx s ARG 139 CO 0.33 -1.19 1.27 0.08 -0.81 0.00 0.00 175.30 174.98 1pnx s VAL 140 N 3.30 3.71 0.56 7.11 1.01 0.97 -4.96 120.40 132.10 1pnx s VAL 140 Ca 0.28 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.57 1pnx s VAL 140 Cb -0.13 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.51 1pnx s VAL 140 CO 0.20 0.11 0.77 -0.13 0.00 0.00 0.00 175.10 176.06 1pnx s ARG 141 N 0.89 2.35 -0.02 2.72 0.52 -1.26 -4.85 118.95 119.31 1pnx s ARG 141 Ca 0.60 -1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 54.19 1pnx s ARG 141 Cb -0.33 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 1pnx s ARG 141 CO 0.31 -0.80 1.07 -2.14 0.02 0.00 0.00 175.30 173.76 1pnx s PRO 142 N -4.69 4.47 0.00 3.54 0.02 -1.26 -3.76 135.00 133.32 1pnx s PRO 142 Ca 0.60 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1pnx s PRO 142 Cb -0.07 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1pnx s PRO 142 CO 0.38 -0.22 0.00 0.41 -0.33 0.00 0.00 177.00 177.24 1pnx n GLY 143 N 3.09 0.85 3.10 0.52 0.00 0.29 -5.00 105.19 108.05 1pnx n GLY 143 Ca 0.08 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1pnx n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pnx s ASP 144 N -1.84 1.97 -0.12 1.61 1.01 -1.25 -4.96 116.67 113.10 1pnx s ASP 144 Ca 0.00 -0.32 -0.21 0.00 0.71 0.00 0.00 52.55 52.73 1pnx s ASP 144 Cb 0.00 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.26 1pnx s ASP 144 CO 0.00 0.12 0.60 -1.61 0.21 0.00 0.00 175.17 174.49 1pnx s GLU 145 N 0.19 4.35 -0.68 8.23 2.02 -1.26 -2.13 118.70 129.42 1pnx s GLU 145 Ca -0.06 0.65 0.01 0.00 0.02 0.00 0.00 54.97 55.59 1pnx s GLU 145 Cb -0.12 -3.47 0.17 0.00 0.10 0.00 0.00 34.13 30.80 1pnx s GLU 145 CO 0.02 0.03 0.48 0.42 0.02 0.00 0.00 175.26 176.23 1pnx s ILE 146 N 1.00 3.32 0.39 -1.63 1.01 0.12 -1.80 121.20 123.62 1pnx s ILE 146 Ca 0.31 -3.64 -0.01 0.00 0.00 0.00 0.00 60.65 57.31 1pnx s ILE 146 Cb -0.16 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1pnx s ILE 146 CO 0.13 -0.94 0.62 0.00 0.00 0.00 0.00 174.94 174.76 1pnx s ALA 147 N -0.81 3.63 0.18 9.38 0.00 -1.20 -3.79 121.76 129.14 1pnx s ALA 147 Ca 0.22 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 1pnx s ALA 147 Cb -0.14 -2.23 -0.08 0.00 0.00 0.00 0.00 23.12 20.67 1pnx s ALA 147 CO -0.08 -0.15 0.75 0.08 0.00 0.00 0.00 175.76 176.36 1pnx s VAL 148 N -2.45 4.44 0.16 0.00 1.01 -0.99 -0.27 120.40 122.29 1pnx s VAL 148 Ca 0.43 1.58 -0.33 0.00 0.00 0.00 0.00 61.98 63.66 1pnx s VAL 148 Cb -0.10 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.11 1pnx s VAL 148 CO 0.38 0.44 1.72 0.00 0.00 0.00 0.00 175.10 177.64 1pnx n ALA 149 N 1.37 2.16 -0.15 5.51 0.00 -0.68 -4.78 120.51 123.94 1pnx n ALA 149 Ca -0.05 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.68 1pnx n ALA 149 Cb 0.49 -2.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.40 1pnx n ALA 149 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pnx h GLU 150 N 7.07 -0.30 -0.30 0.00 3.07 -1.94 0.54 114.58 122.71 1pnx h GLU 150 Ca -0.45 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.52 1pnx h GLU 150 Cb 1.23 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.19 1pnx h GLU 150 CO 0.93 -0.20 0.43 0.87 -1.40 0.00 0.00 179.01 179.64 1pnx h LYS 151 N -0.32 0.00 0.00 2.33 6.56 -1.99 0.16 116.57 123.32 1pnx h LYS 151 Ca 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1pnx h LYS 151 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1pnx h LYS 151 CO -0.60 0.00 -1.40 0.43 -2.06 0.00 0.00 179.45 175.82 1pnx n SER 152 N -3.47 0.52 0.28 0.86 7.64 0.15 -4.25 113.62 115.35 1pnx n SER 152 Ca 0.05 -0.41 0.13 0.00 1.01 0.00 0.00 58.87 59.65 1pnx n SER 152 Cb 0.57 1.33 0.70 0.00 -1.01 0.00 0.00 64.21 65.80 1pnx n SER 152 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1pnx h ARG 153 N 0.00 0.00 -0.00 1.43 3.08 0.25 1.02 114.38 120.16 1pnx h ARG 153 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pnx h ARG 153 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1pnx h ARG 153 CO 0.00 0.00 -0.68 0.09 -1.07 0.00 0.00 179.97 178.31 1pnx n ASN 154 N -2.63 1.03 -4.70 7.04 3.02 -1.26 -4.63 115.26 113.13 1pnx n ASN 154 Ca -0.02 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 1pnx n ASN 154 Cb 0.32 0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 40.06 1pnx n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pnx s LEU 155 N -2.86 4.38 0.22 3.41 1.43 0.35 -4.89 118.68 120.73 1pnx s LEU 155 Ca 0.12 2.62 -0.19 0.00 -1.03 0.00 0.00 54.13 55.66 1pnx s LEU 155 Cb 0.17 -3.57 0.20 0.00 0.03 0.00 0.00 46.19 43.02 1pnx s LEU 155 CO 0.73 -0.92 1.55 -0.08 0.23 0.00 0.00 176.35 177.87 1pnx h GLU 156 N 7.97 -0.01 -0.14 1.70 4.81 -1.92 -0.59 114.58 126.40 1pnx h GLU 156 Ca -0.44 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.84 1pnx h GLU 156 Cb 1.21 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 1pnx h GLU 156 CO 0.93 -0.01 -0.36 1.25 -0.73 0.00 0.00 179.01 180.10 1pnx h LEU 157 N -0.01 -1.12 -1.51 1.64 6.46 -1.94 -1.76 115.31 117.07 1pnx h LEU 157 Ca 0.32 0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 58.24 1pnx h LEU 157 Cb 0.58 0.47 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 1pnx h LEU 157 CO -0.97 -0.39 0.28 0.40 -0.62 0.00 0.00 178.44 177.14 1pnx h ILE 158 N -0.43 1.13 -0.37 4.05 2.04 -1.44 -2.53 117.51 119.95 1pnx h ILE 158 Ca 0.09 -0.27 -0.16 0.00 1.00 0.00 0.00 64.86 65.51 1pnx h ILE 158 Cb 0.58 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1pnx h ILE 158 CO -0.38 0.13 -0.41 0.03 0.00 0.00 0.00 178.15 177.53 1pnx h ARG 159 N 0.62 0.92 0.78 2.37 3.08 -0.68 -1.88 114.38 119.59 1pnx h ARG 159 Ca 0.16 -0.50 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1pnx h ARG 159 Cb -0.03 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.05 1pnx h ARG 159 CO -0.03 1.15 -0.38 1.96 -1.07 0.00 0.00 179.97 181.60 1pnx h GLN 160 N 0.74 -1.01 -0.80 0.04 4.20 -0.96 -1.18 115.11 116.15 1pnx h GLN 160 Ca 0.05 0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1pnx h GLN 160 Cb 1.00 0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.97 1pnx h GLN 160 CO 0.10 -0.67 0.52 -0.91 -0.67 0.00 0.00 178.83 177.20 1pnx h ASN 161 N -1.07 0.88 1.26 1.46 2.35 -1.53 -0.56 115.58 118.37 1pnx h ASN 161 Ca -0.11 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1pnx h ASN 161 Cb 0.81 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1pnx h ASN 161 CO 0.18 0.62 0.00 -0.07 -1.65 0.00 0.00 177.43 176.50 1pnx h LEU 162 N 1.03 0.00 0.00 1.61 3.38 -1.35 -1.58 115.31 118.40 1pnx h LEU 162 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1pnx h LEU 162 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1pnx h LEU 162 CO -0.09 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.65 1pnx n GLU 163 N -3.06 0.00 0.31 1.13 4.07 -0.38 -3.15 120.64 119.55 1pnx n GLU 163 Ca 0.02 0.39 0.09 0.00 -0.06 0.00 0.00 57.16 57.59 1pnx n GLU 163 Cb 0.36 -1.09 0.43 0.00 -0.06 0.00 0.00 31.44 31.08 1pnx n GLU 163 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pnx h ALA 164 N -2.00 1.72 0.00 4.31 0.00 -1.21 2.14 119.26 124.21 1pnx h ALA 164 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pnx h ALA 164 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pnx h ALA 164 CO 0.00 -0.70 0.00 -1.33 0.00 0.00 0.00 179.25 177.22 1pnx n MET 165 N -2.75 0.31 -2.21 0.00 2.81 -0.60 -4.50 117.12 110.18 1pnx n MET 165 Ca 0.00 0.10 -0.42 0.00 -1.81 0.00 0.00 57.70 55.56 1pnx n MET 165 Cb 0.71 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.69 1pnx n MET 165 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1pnx s LYS 166 N -2.51 4.26 0.00 0.03 1.02 0.72 -3.19 119.74 120.07 1pnx s LYS 166 Ca 0.19 1.96 0.00 0.00 0.02 0.00 0.00 55.97 58.15 1pnx s LYS 166 Cb 0.13 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 1pnx s LYS 166 CO 0.28 -0.63 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 1pnx n GLY 167 N 3.71 2.58 3.37 -3.33 0.00 -1.26 -5.01 105.19 105.25 1pnx n GLY 167 Ca 0.14 -0.57 -0.60 0.00 0.00 0.00 0.00 46.02 44.98 1pnx n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnx n ARG 168 N 0.00 0.00 -1.34 1.61 1.74 -1.19 -4.91 116.66 112.56 1pnx n ARG 168 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1pnx n ARG 168 Cb 0.00 -1.37 0.24 0.00 -1.02 0.00 0.00 32.46 30.31 1pnx n ARG 168 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1pnx s LYS 169 N 2.14 -1.00 0.03 5.56 1.02 -1.26 -5.02 119.74 121.20 1pnx s LYS 169 Ca 0.93 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.61 1pnx s LYS 169 Cb -1.32 -1.64 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1pnx s LYS 169 CO 0.70 -3.52 -0.04 0.08 -0.92 0.00 0.00 175.35 171.65 1pnx s VAL 170 N -3.32 0.19 0.26 3.17 1.01 -1.26 -5.07 120.40 115.38 1pnx s VAL 170 Ca 0.74 -1.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 1pnx s VAL 170 Cb -0.06 -0.53 -0.15 0.00 0.00 0.00 0.00 36.38 35.64 1pnx s VAL 170 CO 0.55 -0.57 0.67 0.61 0.00 0.00 0.00 175.10 176.35 1pnx n GLY 171 N 1.31 -1.27 0.00 4.51 0.00 -1.26 -4.80 105.19 103.68 1pnx n GLY 171 Ca -0.22 0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1pnx n GLY 171 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pnx n PRO 172 N 0.88 0.04 -0.09 1.61 -0.04 -1.26 -0.48 135.00 135.66 1pnx n PRO 172 Ca 0.14 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 1pnx n PRO 172 Cb 0.30 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1pnx n PRO 172 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1pnx n TRP 173 N -1.25 0.23 -3.24 0.54 2.14 -1.26 -4.91 117.44 109.69 1pnx n TRP 173 Ca 0.01 -0.19 0.00 0.00 2.07 0.00 0.00 57.50 59.39 1pnx n TRP 173 Cb 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 31.31 30.51 1pnx n TRP 173 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1pnx n LEU 174 N 0.83 0.00 0.00 5.67 4.77 0.37 0.07 117.00 128.70 1pnx n LEU 174 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1pnx n LEU 174 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1pnx n LEU 174 CO 0.10 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.62 1pnx n SER 175 N -0.31 0.00 -3.86 -1.43 3.41 -1.13 -4.72 113.62 105.59 1pnx n SER 175 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1pnx n SER 175 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1pnx n SER 175 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1pnx s LEU 176 N 0.00 1.54 -0.76 1.04 2.34 -1.26 0.33 118.68 121.91 1pnx s LEU 176 Ca 0.00 -0.05 -0.11 0.00 0.06 0.00 0.00 54.13 54.04 1pnx s LEU 176 Cb 0.00 0.59 0.20 0.00 -0.56 0.00 0.00 46.19 46.42 1pnx s LEU 176 CO 0.00 -0.26 0.66 -0.62 -1.06 0.00 0.00 176.35 175.07 1pnx s ASP 177 N -0.89 6.29 0.00 1.48 -1.08 0.33 -4.91 116.67 117.88 1pnx s ASP 177 Ca -0.10 -2.72 0.00 0.00 -0.52 0.00 0.00 52.55 49.21 1pnx s ASP 177 Cb -0.06 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.30 1pnx s ASP 177 CO 0.01 -0.52 0.72 0.52 0.52 0.00 0.00 175.17 176.42 1pnx n VAL 178 N 3.85 0.96 0.00 1.11 0.31 -1.26 -1.55 118.33 121.76 1pnx n VAL 178 Ca 0.11 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1pnx n VAL 178 Cb 0.44 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1pnx n VAL 178 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1pnx n GLU 179 N -1.22 0.00 -0.01 5.55 -0.58 -1.26 -3.89 120.64 119.23 1pnx n GLU 179 Ca 0.00 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1pnx n GLU 179 Cb 0.02 -0.85 0.01 0.00 -0.57 0.00 0.00 31.44 30.05 1pnx n GLU 179 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pnx n GLY 180 N 1.39 -0.06 3.73 0.62 0.00 -1.17 -4.86 105.19 104.84 1pnx n GLY 180 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1pnx n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pnx n MET 181 N -0.30 -4.14 -4.27 1.61 2.81 -0.59 -4.67 117.12 107.58 1pnx n MET 181 Ca 0.00 0.57 -0.27 0.00 -1.81 0.00 0.00 57.70 56.20 1pnx n MET 181 Cb 0.10 -4.98 -0.07 0.00 -0.71 0.00 0.00 33.22 27.57 1pnx n MET 181 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1pnx s LYS 182 N -6.02 2.19 -0.16 0.03 1.02 -0.67 -2.35 119.74 113.79 1pnx s LYS 182 Ca 0.07 -2.01 -0.31 0.00 0.02 0.00 0.00 55.97 53.73 1pnx s LYS 182 Cb -0.02 -1.87 0.14 0.00 -0.52 0.00 0.00 37.83 35.55 1pnx s LYS 182 CO 0.83 -0.24 1.08 0.20 -0.92 0.00 0.00 175.35 176.30 1pnx s GLY 183 N -3.94 -0.26 0.03 -3.33 0.00 -1.25 -0.52 107.32 98.06 1pnx s GLY 183 Ca 0.32 1.85 0.06 0.00 0.00 0.00 0.00 44.72 46.95 1pnx s GLY 183 CO 0.18 0.79 -0.17 0.54 0.00 0.00 0.00 173.10 174.44 1pnx s LYS 184 N -1.81 1.17 -0.73 2.90 1.02 0.15 0.13 119.74 122.58 1pnx s LYS 184 Ca 0.04 -0.80 -0.20 0.00 0.02 0.00 0.00 55.97 55.03 1pnx s LYS 184 Cb -0.01 -1.22 0.11 0.00 -0.52 0.00 0.00 37.83 36.19 1pnx s LYS 184 CO -0.03 0.31 0.92 0.12 -0.92 0.00 0.00 175.35 175.74 1pnx s PHE 185 N -0.75 2.98 0.00 3.18 5.36 -0.91 -2.82 117.98 125.02 1pnx s PHE 185 Ca 0.05 -1.03 -0.25 0.00 -0.96 0.00 0.00 56.93 54.74 1pnx s PHE 185 Cb -0.08 -4.17 -0.18 0.00 -0.34 0.00 0.00 43.02 38.25 1pnx s PHE 185 CO 0.01 -1.45 1.29 -0.07 -1.46 0.00 0.00 175.22 173.54 1pnx h LEU 186 N 10.40 -0.16 -7.87 6.12 3.38 -0.65 0.85 115.31 127.38 1pnx h LEU 186 Ca -0.13 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1pnx h LEU 186 Cb 1.06 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 1pnx h LEU 186 CO 1.11 0.22 0.06 -0.60 0.09 0.00 0.00 178.44 179.32 1pnx s ARG 187 N -4.61 1.53 -0.04 1.13 6.06 -1.02 -4.32 118.95 117.68 1pnx s ARG 187 Ca -0.15 -0.97 -0.30 0.00 -2.50 0.00 0.00 55.73 51.81 1pnx s ARG 187 Cb 0.02 0.54 -0.05 0.00 0.06 0.00 0.00 34.95 35.52 1pnx s ARG 187 CO 0.61 -0.66 1.54 -0.51 -2.50 0.00 0.00 175.30 173.77 1pnx s LEU 188 N -2.91 4.31 0.67 -0.88 1.43 -1.26 -4.80 118.68 115.23 1pnx s LEU 188 Ca 0.12 2.16 -0.17 0.00 -1.03 0.00 0.00 54.13 55.21 1pnx s LEU 188 Cb -0.02 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1pnx s LEU 188 CO 0.02 -0.85 1.29 -2.16 0.23 0.00 0.00 176.35 174.88 1pnx s PRO 189 N 3.41 2.43 0.26 1.29 0.04 -1.26 -5.01 135.00 136.16 1pnx s PRO 189 Ca 0.69 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.84 1pnx s PRO 189 Cb -0.32 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1pnx s PRO 189 CO 0.27 -1.69 0.28 0.34 0.04 0.00 0.00 177.00 176.24 1pnx s ASP 190 N -1.46 5.83 0.35 6.66 -1.08 -1.26 -4.50 116.67 121.20 1pnx s ASP 190 Ca 0.82 -0.14 0.15 0.00 -0.52 0.00 0.00 52.55 52.86 1pnx s ASP 190 Cb -0.37 -1.54 1.07 0.00 -1.46 0.00 0.00 42.92 40.63 1pnx s ASP 190 CO 0.41 -0.09 1.68 -0.09 0.52 0.00 0.00 175.17 177.60 1pnx h ARG 191 N 1.32 0.36 -0.45 4.34 9.65 -1.94 0.17 114.38 127.82 1pnx h ARG 191 Ca -0.49 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.29 1pnx h ARG 191 Cb 1.24 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.72 1pnx h ARG 191 CO 0.60 0.23 -0.01 0.93 2.80 0.00 0.00 179.97 184.53 1pnx h GLU 192 N 0.37 0.75 0.00 0.20 3.07 -2.02 -2.95 114.58 113.99 1pnx h GLU 192 Ca 0.71 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 59.37 1pnx h GLU 192 Cb 1.64 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.46 1pnx h GLU 192 CO -0.54 0.77 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.37 1pnx h ASP 193 N 0.70 0.00 -3.13 1.42 3.32 -1.03 -3.42 116.42 114.28 1pnx h ASP 193 Ca 0.14 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.56 1pnx h ASP 193 Cb 0.45 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.88 1pnx h ASP 193 CO 0.02 0.03 -0.52 -0.76 -1.72 0.00 0.00 179.24 176.29 1pnx s LEU 194 N -7.12 4.10 -0.91 1.55 2.01 -1.12 -4.98 118.68 112.21 1pnx s LEU 194 Ca -0.04 0.24 -0.01 0.00 0.01 0.00 0.00 54.13 54.32 1pnx s LEU 194 Cb 0.14 -2.03 0.34 0.00 0.01 0.00 0.00 46.19 44.65 1pnx s LEU 194 CO 0.52 0.25 1.92 0.00 1.01 0.00 0.00 176.35 180.04 1pnx n ALA 195 N 3.07 6.30 -2.65 4.21 0.00 -1.26 -4.98 120.51 125.19 1pnx n ALA 195 Ca -0.17 -4.32 -0.42 0.00 0.00 0.00 0.00 53.44 48.52 1pnx n ALA 195 Cb 0.53 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 1pnx n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pnx s LEU 196 N -4.16 4.33 0.00 0.00 1.43 -1.26 -4.89 118.68 114.13 1pnx s LEU 196 Ca 0.47 1.68 -0.04 0.00 -1.03 0.00 0.00 54.13 55.21 1pnx s LEU 196 Cb 0.34 -3.57 -0.19 0.00 0.03 0.00 0.00 46.19 42.80 1pnx s LEU 196 CO -0.30 -0.36 2.81 -0.81 0.23 0.00 0.00 176.35 177.93 1pnx n PRO 197 N 4.27 1.49 -4.29 1.29 -0.04 -1.26 -4.77 135.00 131.69 1pnx n PRO 197 Ca 0.07 -0.71 -0.21 0.00 -0.04 0.00 0.00 63.50 62.61 1pnx n PRO 197 Cb 0.49 -1.82 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 1pnx n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1pnx s VAL 198 N 1.37 1.60 -0.58 0.52 1.01 -1.26 -4.92 120.40 118.14 1pnx s VAL 198 Ca 0.48 -1.74 0.04 0.00 0.00 0.00 0.00 61.98 60.76 1pnx s VAL 198 Cb 0.23 -1.64 0.17 0.00 0.00 0.00 0.00 36.38 35.13 1pnx s VAL 198 CO 0.00 -0.29 0.41 0.21 0.00 0.00 0.00 175.10 175.43 1pnx s ASN 199 N -2.39 3.59 0.62 3.32 3.04 -1.26 -4.95 114.94 116.91 1pnx s ASN 199 Ca 0.11 -3.46 0.24 0.00 0.04 0.00 0.00 52.86 49.79 1pnx s ASN 199 Cb -0.07 -1.19 1.16 0.00 -1.54 0.00 0.00 41.25 39.62 1pnx s ASN 199 CO 0.05 -0.13 1.62 1.05 -3.04 0.00 0.00 177.10 176.64 1pnx h GLU 200 N 5.63 0.00 -0.48 0.43 9.09 -1.97 0.11 114.58 127.39 1pnx h GLU 200 Ca 0.16 0.00 0.09 0.00 0.05 0.00 0.00 59.36 59.67 1pnx h GLU 200 Cb 0.82 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.82 1pnx h GLU 200 CO 0.58 0.00 -0.31 1.96 0.05 0.00 0.00 179.01 181.29 1pnx h GLN 201 N 0.00 -0.19 0.00 1.06 1.08 -1.96 0.34 115.11 115.43 1pnx h GLN 201 Ca 0.21 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.36 1pnx h GLN 201 Cb 1.63 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.10 1pnx h GLN 201 CO -0.00 -0.13 -0.29 -0.07 -0.95 0.00 0.00 178.83 177.39 1pnx h LEU 202 N -0.20 0.00 -0.35 1.46 3.38 -1.19 -2.01 115.31 116.40 1pnx h LEU 202 Ca 0.20 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 1pnx h LEU 202 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1pnx h LEU 202 CO -0.59 0.29 -0.38 0.58 0.09 0.00 0.00 178.44 178.43 1pnx h VAL 203 N 0.00 1.28 -0.20 1.22 2.07 -0.48 -0.08 116.25 120.05 1pnx h VAL 203 Ca -0.00 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 1pnx h VAL 203 Cb 0.74 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1pnx h VAL 203 CO 0.04 0.51 0.04 0.40 0.02 0.00 0.00 177.57 178.59 1pnx h ILE 204 N 0.68 1.21 -0.59 4.57 2.04 -0.35 -2.64 117.51 122.43 1pnx h ILE 204 Ca 0.05 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.28 1pnx h ILE 204 Cb 0.97 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1pnx h ILE 204 CO 0.09 0.21 0.39 -0.33 0.00 0.00 0.00 178.15 178.51 1pnx h GLU 205 N 0.13 0.61 -0.26 2.37 5.08 -1.24 -1.67 114.58 119.60 1pnx h GLU 205 Ca 0.06 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1pnx h GLU 205 Cb 0.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1pnx h GLU 205 CO 0.00 0.40 -0.22 0.35 -1.00 0.00 0.00 179.01 178.54 1pnx h PHE 206 N 0.63 0.53 -0.05 4.33 3.57 -0.66 -1.38 116.94 123.90 1pnx h PHE 206 Ca 0.25 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1pnx h PHE 206 Cb 0.19 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1pnx h PHE 206 CO -0.00 0.67 0.00 0.66 -2.23 0.00 0.00 178.31 177.41 1pnx n TYR 207 N -4.14 0.05 0.02 0.41 0.53 -0.67 -3.57 117.16 109.80 1pnx n TYR 207 Ca -0.00 -0.03 -0.20 0.00 -1.02 0.00 0.00 57.90 56.65 1pnx n TYR 207 Cb 0.39 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.55 1pnx n TYR 207 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1pnx h SER 208 N 1.23 0.40 0.00 7.72 0.02 -0.78 -3.51 113.55 118.62 1pnx h SER 208 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 1pnx h SER 208 Cb 0.26 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1pnx h SER 208 CO 0.00 1.44 0.00 -1.14 -1.14 0.00 0.00 176.83 175.99