#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnx s THR 6 N 0.00 3.15 0.20 3.45 -4.23 -1.26 -4.77 115.64 112.18 1pnx s THR 6 Ca 0.00 0.42 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 1pnx s THR 6 Cb 0.00 -2.88 0.14 0.00 1.34 0.00 0.00 72.50 71.09 1pnx s THR 6 CO 0.00 -0.44 1.83 0.40 -0.54 0.00 0.00 174.62 175.87 1pnx h ILE 7 N -0.84 1.05 -0.20 2.99 1.08 -2.05 0.13 117.51 119.66 1pnx h ILE 7 Ca -0.45 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 63.73 1pnx h ILE 7 Cb 1.24 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1pnx h ILE 7 CO 0.51 0.14 -0.02 -1.13 -0.69 0.00 0.00 178.15 176.96 1pnx h ASN 8 N 0.77 0.27 -0.11 1.72 -1.24 -1.99 -0.43 115.58 114.58 1pnx h ASN 8 Ca 0.28 -0.04 -0.03 0.00 0.71 0.00 0.00 56.30 57.22 1pnx h ASN 8 Cb 0.08 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 1pnx h ASN 8 CO -0.13 0.35 -0.05 1.56 -1.29 0.00 0.00 177.43 177.86 1pnx h GLN 9 N 0.29 0.22 -0.87 6.67 4.20 -1.43 -1.45 115.11 122.75 1pnx h GLN 9 Ca 0.07 -0.10 0.13 0.00 0.06 0.00 0.00 58.65 58.80 1pnx h GLN 9 Cb 0.24 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 1pnx h GLN 9 CO 0.01 0.57 0.56 -0.07 -0.67 0.00 0.00 178.83 179.24 1pnx h LEU 10 N -0.13 0.69 -0.80 1.46 3.38 -0.16 0.23 115.31 119.97 1pnx h LEU 10 Ca 0.02 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1pnx h LEU 10 Cb 0.51 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1pnx h LEU 10 CO 0.02 0.37 -0.12 0.58 0.09 0.00 0.00 178.44 179.37 1pnx h VAL 11 N 0.74 1.26 0.16 1.22 2.07 -0.75 0.13 116.25 121.08 1pnx h VAL 11 Ca 0.43 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1pnx h VAL 11 Cb 0.60 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1pnx h VAL 11 CO -0.19 0.40 -0.08 0.03 0.02 0.00 0.00 177.57 177.76 1pnx h ARG 12 N 0.70 -0.21 0.13 1.57 3.08 0.41 -3.41 114.38 116.65 1pnx h ARG 12 Ca 0.12 0.01 -0.36 0.00 0.07 0.00 0.00 59.98 59.82 1pnx h ARG 12 Cb 0.61 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1pnx h ARG 12 CO 0.04 -0.14 -1.92 0.87 -1.07 0.00 0.00 179.97 177.75 1pnx h LYS 13 N -0.56 0.27 -1.91 0.04 1.57 -0.92 -3.51 116.57 111.55 1pnx h LYS 13 Ca -0.02 -0.46 0.20 0.00 -1.87 0.00 0.00 60.65 58.49 1pnx h LYS 13 Cb 0.17 0.17 -0.10 0.00 0.08 0.00 0.00 32.23 32.55 1pnx h LYS 13 CO 0.04 1.22 -0.63 0.41 -0.57 0.00 0.00 179.45 179.92 1pnx n GLY 14 N 1.95 -2.79 3.78 3.86 0.00 0.47 -4.88 105.19 107.58 1pnx n GLY 14 Ca -0.31 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 1pnx n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pnx s ARG 15 N -3.34 4.05 -0.23 1.61 1.81 -1.26 -5.00 118.95 116.58 1pnx s ARG 15 Ca 0.00 1.57 -0.09 0.00 -1.72 0.00 0.00 55.73 55.49 1pnx s ARG 15 Cb 0.00 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.97 1pnx s ARG 15 CO 0.00 -0.25 0.12 -2.00 -0.68 0.00 0.00 175.30 172.49 1pnx s GLU 16 N -2.58 3.95 0.20 3.54 2.12 -1.26 -5.07 118.70 119.60 1pnx s GLU 16 Ca 0.60 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 1pnx s GLU 16 Cb -0.23 -3.42 -0.08 0.00 0.26 0.00 0.00 34.13 30.65 1pnx s GLU 16 CO 0.29 0.04 1.11 0.15 -0.54 0.00 0.00 175.26 176.31 1pnx s LYS 17 N 1.06 4.59 0.33 4.30 -0.14 -1.26 -5.00 119.74 123.62 1pnx s LYS 17 Ca 0.06 1.76 -0.28 0.00 -1.36 0.00 0.00 55.97 56.14 1pnx s LYS 17 Cb -0.14 -3.25 -0.10 0.00 -1.68 0.00 0.00 37.83 32.66 1pnx s LYS 17 CO 0.04 0.09 1.25 0.08 -0.76 0.00 0.00 175.35 176.05 1pnx s VAL 18 N -0.44 2.90 -0.40 3.17 1.01 -1.26 -5.10 120.40 120.28 1pnx s VAL 18 Ca 0.49 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.32 1pnx s VAL 18 Cb -0.30 -3.56 0.10 0.00 0.00 0.00 0.00 36.38 32.62 1pnx s VAL 18 CO 0.37 0.20 0.18 -0.13 0.00 0.00 0.00 175.10 175.72 1pnx s ARG 19 N -1.78 2.09 0.50 2.72 0.52 -1.26 -5.15 118.95 116.59 1pnx s ARG 19 Ca 0.49 -1.73 -0.23 0.00 -0.52 0.00 0.00 55.73 53.74 1pnx s ARG 19 Cb -0.37 -3.55 -0.06 0.00 0.52 0.00 0.00 34.95 31.49 1pnx s ARG 19 CO 0.49 -1.01 1.37 0.15 0.02 0.00 0.00 175.30 176.32 1pnx s LYS 20 N 1.17 3.40 -0.12 3.54 1.02 -1.26 -5.09 119.74 122.40 1pnx s LYS 20 Ca 0.06 2.27 -0.01 0.00 0.02 0.00 0.00 55.97 58.31 1pnx s LYS 20 Cb -0.22 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1pnx s LYS 20 CO -0.03 -0.99 -0.08 0.15 -0.92 0.00 0.00 175.35 173.47 1pnx s LYS 21 N -2.70 3.30 0.85 1.68 1.02 -1.26 -5.10 119.74 117.53 1pnx s LYS 21 Ca 0.67 -0.59 -0.12 0.00 0.02 0.00 0.00 55.97 55.95 1pnx s LYS 21 Cb -0.41 -2.72 0.10 0.00 -0.52 0.00 0.00 37.83 34.28 1pnx s LYS 21 CO 0.50 0.36 1.10 0.45 -0.92 0.00 0.00 175.35 176.84 1pnx n SER 22 N 3.15 0.48 -0.01 2.83 2.88 -1.26 -4.94 113.62 116.75 1pnx n SER 22 Ca -0.18 0.51 0.01 0.00 -1.33 0.00 0.00 58.87 57.89 1pnx n SER 22 Cb 0.53 -1.46 0.02 0.00 -0.75 0.00 0.00 64.21 62.54 1pnx n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1pnx n LYS 23 N -3.37 2.66 -3.07 -1.46 5.02 -1.26 -4.86 118.16 111.81 1pnx n LYS 23 Ca 0.12 -1.62 -0.17 0.00 -2.02 0.00 0.00 58.31 54.63 1pnx n LYS 23 Cb 0.51 -1.05 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 1pnx n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pnx n VAL 24 N -0.61 -0.59 -0.79 -0.18 0.31 -1.26 -4.97 118.33 110.23 1pnx n VAL 24 Ca 0.02 -2.45 -0.24 0.00 -0.01 0.00 0.00 64.34 61.66 1pnx n VAL 24 Cb 0.31 -0.42 -0.02 0.00 -0.91 0.00 0.00 33.84 32.80 1pnx n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1pnx n PRO 25 N 2.54 2.14 0.00 5.55 -0.02 -1.26 -4.23 135.00 139.72 1pnx n PRO 25 Ca 0.22 -1.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.18 1pnx n PRO 25 Cb 0.53 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1pnx n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pnx n ALA 26 N 4.35 2.29 0.00 3.55 0.00 -1.26 -4.92 120.51 124.52 1pnx n ALA 26 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1pnx n ALA 26 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1pnx n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pnx n LEU 27 N 0.19 0.00 -0.07 0.00 7.94 -1.26 -4.07 117.00 119.73 1pnx n LEU 27 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1pnx n LEU 27 Cb 0.26 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 43.87 1pnx n LEU 27 CO 0.00 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.57 1pnx n LYS 28 N -0.34 -1.89 -4.46 1.96 5.02 -1.26 -0.85 118.16 116.34 1pnx n LYS 28 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1pnx n LYS 28 Cb 0.00 -2.57 -0.09 0.00 -0.02 0.00 0.00 35.03 32.35 1pnx n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pnx n GLY 29 N 0.00 -0.29 3.90 0.72 0.00 -1.26 -4.86 105.19 103.40 1pnx n GLY 29 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1pnx n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnx s ALA 30 N -3.68 3.21 0.15 4.61 0.00 -0.03 -5.00 121.76 121.01 1pnx s ALA 30 Ca 0.52 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1pnx s ALA 30 Cb -0.30 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 19.98 1pnx s ALA 30 CO 1.02 -0.77 1.33 -1.35 0.00 0.00 0.00 175.76 175.99 1pnx h PRO 31 N -0.22 0.16 -3.52 0.00 0.11 -1.91 -3.47 132.00 123.16 1pnx h PRO 31 Ca -0.45 -0.20 -0.08 0.00 0.11 0.00 0.00 66.00 65.37 1pnx h PRO 31 Cb 1.24 0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.26 1pnx h PRO 31 CO 0.62 0.99 -0.27 -0.06 -0.21 0.00 0.00 178.00 179.07 1pnx s PHE 32 N -3.04 -0.02 -0.04 0.65 0.08 -1.26 -4.75 117.98 109.59 1pnx s PHE 32 Ca -0.02 -0.26 -0.05 0.00 0.12 0.00 0.00 56.93 56.72 1pnx s PHE 32 Cb 0.10 0.06 0.01 0.00 -0.57 0.00 0.00 43.02 42.62 1pnx s PHE 32 CO 0.83 -0.55 0.13 0.50 -0.10 0.00 0.00 175.22 176.03 1pnx s ARG 33 N -3.26 0.18 -0.11 0.44 6.06 -1.02 -4.98 118.95 116.26 1pnx s ARG 33 Ca 0.00 0.11 -0.03 0.00 -2.50 0.00 0.00 55.73 53.31 1pnx s ARG 33 Cb 0.02 0.08 -0.03 0.00 0.06 0.00 0.00 34.95 35.08 1pnx s ARG 33 CO -0.08 -0.03 0.03 -0.98 -2.50 0.00 0.00 175.30 171.75 1pnx s ARG 34 N -0.08 3.21 0.31 5.12 1.70 -1.26 0.36 118.95 128.31 1pnx s ARG 34 Ca -0.02 -0.35 0.06 0.00 -0.47 0.00 0.00 55.73 54.95 1pnx s ARG 34 Cb -0.02 -2.92 -0.02 0.00 -0.57 0.00 0.00 34.95 31.42 1pnx s ARG 34 CO 0.00 0.65 0.22 0.41 -1.08 0.00 0.00 175.30 175.51 1pnx n GLY 35 N 2.33 3.10 3.38 3.88 0.00 -0.52 -2.21 105.19 115.14 1pnx n GLY 35 Ca -0.19 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 1pnx n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pnx s VAL 36 N -3.14 2.72 0.58 1.61 1.01 -0.24 -0.97 120.40 121.98 1pnx s VAL 36 Ca 0.32 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1pnx s VAL 36 Cb 0.02 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1pnx s VAL 36 CO 0.22 0.57 1.21 0.00 0.00 0.00 0.00 175.10 177.10 1pnx n THR 38 N -1.49 0.00 -3.72 0.00 -1.04 -0.31 -4.10 114.28 103.62 1pnx n THR 38 Ca 0.13 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.96 1pnx n THR 38 Cb 0.49 -0.95 -0.17 0.00 -1.82 0.00 0.00 70.33 67.88 1pnx n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1pnx s VAL 39 N -1.91 -0.08 -0.94 12.58 1.01 -1.25 -4.81 120.40 124.99 1pnx s VAL 39 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 1pnx s VAL 39 Cb 0.00 -0.12 0.33 0.00 0.00 0.00 0.00 36.38 36.59 1pnx s VAL 39 CO 0.00 0.14 1.78 0.52 0.00 0.00 0.00 175.10 177.54 1pnx n VAL 40 N 4.77 5.20 -0.03 2.92 0.31 -1.26 -1.27 118.33 128.97 1pnx n VAL 40 Ca -0.15 -5.54 0.00 0.00 -0.01 0.00 0.00 64.34 58.64 1pnx n VAL 40 Cb 0.50 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 1pnx n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1pnx n ARG 41 N -0.20 0.49 -3.15 5.55 0.63 -1.20 -4.82 116.66 113.96 1pnx n ARG 41 Ca 0.47 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.44 1pnx n ARG 41 Cb 0.27 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.18 1pnx n ARG 41 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1pnx s THR 42 N -0.19 -0.92 0.83 5.15 2.01 -1.26 -3.26 115.64 118.01 1pnx s THR 42 Ca 0.00 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 1pnx s THR 42 Cb 0.00 -0.78 0.09 0.00 0.01 0.00 0.00 72.50 71.82 1pnx s THR 42 CO 0.00 0.00 1.15 -0.69 -0.69 0.00 0.00 174.62 174.39 1pnx s VAL 43 N 2.70 2.28 0.09 3.82 1.01 -0.66 -4.79 120.40 124.85 1pnx s VAL 43 Ca 0.13 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1pnx s VAL 43 Cb -0.08 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1pnx s VAL 43 CO -0.23 -0.12 -0.11 0.42 0.00 0.00 0.00 175.10 175.06 1pnx s THR 44 N -3.40 3.28 1.36 3.92 -4.23 -1.26 -1.45 115.64 113.85 1pnx s THR 44 Ca 0.62 -1.24 -0.22 0.00 -1.18 0.00 0.00 61.69 59.67 1pnx s THR 44 Cb -0.13 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.56 1pnx s THR 44 CO 0.51 0.16 0.79 -2.65 -0.54 0.00 0.00 174.62 172.89 1pnx n PRO 45 N 0.88 -4.53 -4.28 3.99 -0.02 -1.26 -4.86 135.00 124.93 1pnx n PRO 45 Ca -0.14 -1.32 -0.29 0.00 -2.02 0.00 0.00 63.50 59.73 1pnx n PRO 45 Cb 0.52 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.20 1pnx n PRO 45 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pnx n LYS 46 N -5.33 0.81 0.00 -0.52 4.81 -1.12 -4.92 118.16 111.89 1pnx n LYS 46 Ca 0.13 -3.42 0.00 0.00 -0.87 0.00 0.00 58.31 54.15 1pnx n LYS 46 Cb 0.55 0.76 0.00 0.00 0.02 0.00 0.00 35.03 36.35 1pnx n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pnx n LYS 47 N -1.35 0.00 -0.05 1.64 5.02 -1.26 -2.47 118.16 119.69 1pnx n LYS 47 Ca -0.15 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.11 1pnx n LYS 47 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.60 1pnx n LYS 47 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1pnx h PRO 48 N 0.00 0.00 -4.48 1.97 0.13 -2.01 -3.49 132.00 124.13 1pnx h PRO 48 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 1pnx h PRO 48 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 1pnx h PRO 48 CO 0.00 0.00 -0.82 0.09 -0.23 0.00 0.00 178.00 177.04 1pnx n ASN 49 N -4.04 -2.57 -3.78 1.44 5.03 -1.03 -5.03 115.26 105.28 1pnx n ASN 49 Ca -0.05 0.52 -0.13 0.00 0.87 0.00 0.00 54.58 55.79 1pnx n ASN 49 Cb 0.19 -0.64 -0.12 0.00 -1.02 0.00 0.00 39.78 38.20 1pnx n ASN 49 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1pnx s SER 50 N -0.75 -0.26 0.00 6.41 0.15 -1.26 -4.04 113.70 113.95 1pnx s SER 50 Ca 0.43 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1pnx s SER 50 Cb -0.40 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1pnx s SER 50 CO 0.49 -0.09 0.00 0.00 1.20 0.00 0.00 173.24 174.84 1pnx n ALA 51 N 2.98 0.00 -3.73 5.45 0.00 -1.26 -4.94 120.51 119.01 1pnx n ALA 51 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 1pnx n ALA 51 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 1pnx n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pnx s LEU 52 N 0.00 5.28 0.09 0.00 1.43 -1.26 -4.06 118.68 120.17 1pnx s LEU 52 Ca 0.00 -3.68 -0.31 0.00 -1.03 0.00 0.00 54.13 49.11 1pnx s LEU 52 Cb 0.00 -1.82 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 1pnx s LEU 52 CO 0.00 -0.17 1.65 -0.13 0.23 0.00 0.00 176.35 177.93 1pnx s ARG 53 N -1.26 4.20 -0.25 1.70 3.00 -0.53 -4.85 118.95 120.96 1pnx s ARG 53 Ca 0.26 2.36 -0.28 0.00 0.00 0.00 0.00 55.73 58.07 1pnx s ARG 53 Cb -0.08 -3.52 0.01 0.00 0.00 0.00 0.00 34.95 31.36 1pnx s ARG 53 CO -0.13 -0.72 0.98 0.15 0.00 0.00 0.00 175.30 175.58 1pnx s LYS 54 N 2.39 4.20 0.42 3.54 3.01 -1.26 -1.65 119.74 130.38 1pnx s LYS 54 Ca 0.74 1.18 0.03 0.00 -1.01 0.00 0.00 55.97 56.91 1pnx s LYS 54 Cb -0.41 -3.66 -0.04 0.00 -1.01 0.00 0.00 37.83 32.71 1pnx s LYS 54 CO 0.32 -0.64 0.06 0.08 0.51 0.00 0.00 175.35 175.68 1pnx s VAL 55 N 3.16 1.11 -0.26 3.17 1.01 -1.20 -2.11 120.40 125.27 1pnx s VAL 55 Ca 0.41 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.27 1pnx s VAL 55 Cb -0.15 -2.49 0.09 0.00 0.00 0.00 0.00 36.38 33.84 1pnx s VAL 55 CO 0.08 0.00 0.61 0.00 0.00 0.00 0.00 175.10 175.79 1pnx s ALA 56 N -3.06 -1.72 0.26 5.51 0.00 -0.85 -3.27 121.76 118.63 1pnx s ALA 56 Ca 0.23 2.18 -0.30 0.00 0.00 0.00 0.00 51.96 54.07 1pnx s ALA 56 Cb 0.05 -1.43 -0.09 0.00 0.00 0.00 0.00 23.12 21.65 1pnx s ALA 56 CO 0.12 -0.54 1.07 0.15 0.00 0.00 0.00 175.76 176.56 1pnx s LYS 57 N 2.01 4.68 -0.02 0.00 -0.14 -0.39 -1.32 119.74 124.56 1pnx s LYS 57 Ca -0.08 1.73 0.02 0.00 -1.36 0.00 0.00 55.97 56.28 1pnx s LYS 57 Cb -0.08 -3.22 -0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1pnx s LYS 57 CO -0.18 0.27 -0.08 0.08 -0.76 0.00 0.00 175.35 174.68 1pnx s VAL 58 N -1.10 0.66 -0.49 3.17 1.01 0.56 -1.16 120.40 123.06 1pnx s VAL 58 Ca 0.44 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 1pnx s VAL 58 Cb -0.31 -0.58 0.09 0.00 0.00 0.00 0.00 36.38 35.59 1pnx s VAL 58 CO 0.39 0.20 0.42 -0.60 0.00 0.00 0.00 175.10 175.51 1pnx s ARG 59 N 0.03 2.95 0.71 2.72 6.06 0.18 0.04 118.95 131.65 1pnx s ARG 59 Ca -0.00 -1.47 -0.11 0.00 -2.50 0.00 0.00 55.73 51.65 1pnx s ARG 59 Cb -0.06 -4.16 0.02 0.00 0.06 0.00 0.00 34.95 30.81 1pnx s ARG 59 CO -0.00 -1.12 1.07 -0.51 -2.50 0.00 0.00 175.30 172.25 1pnx s LEU 60 N 1.61 2.96 0.00 -0.88 2.01 0.16 -1.08 118.68 123.46 1pnx s LEU 60 Ca 0.04 1.42 0.30 0.00 0.01 0.00 0.00 54.13 55.89 1pnx s LEU 60 Cb -0.26 -4.24 1.36 0.00 0.01 0.00 0.00 46.19 43.06 1pnx s LEU 60 CO 0.05 -1.48 1.98 0.35 1.01 0.00 0.00 176.35 178.26 1pnx n THR 61 N -3.13 0.00 1.48 5.49 -2.24 -0.94 -2.42 114.28 112.51 1pnx n THR 61 Ca 0.07 -0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.95 1pnx n THR 61 Cb 0.55 -0.48 0.44 0.00 -2.10 0.00 0.00 70.33 68.74 1pnx n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pnx n SER 62 N -1.39 1.13 0.00 3.42 3.41 -1.26 -4.89 113.62 114.04 1pnx n SER 62 Ca 0.10 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1pnx n SER 62 Cb 0.29 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1pnx n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pnx n GLY 63 N 1.03 1.90 3.87 5.00 0.00 -1.02 -4.94 105.19 111.03 1pnx n GLY 63 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1pnx n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pnx s TYR 64 N -2.58 3.48 -0.32 1.61 1.51 -1.26 -4.87 117.35 114.92 1pnx s TYR 64 Ca 0.00 0.82 -0.04 0.00 -1.01 0.00 0.00 57.07 56.84 1pnx s TYR 64 Cb 0.00 -2.21 0.05 0.00 -0.11 0.00 0.00 41.96 39.69 1pnx s TYR 64 CO 0.00 0.36 0.06 -1.21 -1.11 0.00 0.00 175.55 173.65 1pnx s GLU 65 N -2.53 2.49 0.36 -0.62 8.01 -1.26 0.36 118.70 125.51 1pnx s GLU 65 Ca 0.43 -1.26 0.04 0.00 0.01 0.00 0.00 54.97 54.19 1pnx s GLU 65 Cb -0.12 -3.33 -0.06 0.00 -4.31 0.00 0.00 34.13 26.31 1pnx s GLU 65 CO 0.21 -0.67 0.06 0.14 0.01 0.00 0.00 175.26 175.01 1pnx s VAL 66 N 1.31 1.19 -0.14 2.63 -7.23 0.11 -4.89 120.40 113.38 1pnx s VAL 66 Ca -0.03 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 1pnx s VAL 66 Cb -0.20 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.99 1pnx s VAL 66 CO 0.00 0.00 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.90 1pnx s THR 67 N -3.20 4.19 0.00 5.32 2.01 -1.26 0.21 115.64 122.92 1pnx s THR 67 Ca 0.33 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.10 1pnx s THR 67 Cb 0.08 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 1pnx s THR 67 CO 0.15 0.51 -0.09 0.00 -0.69 0.00 0.00 174.62 174.51 1pnx s ALA 68 N 0.05 0.72 0.57 7.40 0.00 -0.44 -3.61 121.76 126.45 1pnx s ALA 68 Ca 0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 1pnx s ALA 68 Cb -0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1pnx s ALA 68 CO 0.02 0.15 1.07 -0.47 0.00 0.00 0.00 175.76 176.54 1pnx s TYR 69 N -0.38 2.88 -0.50 0.00 5.04 0.07 -2.01 117.35 122.46 1pnx s TYR 69 Ca 0.02 1.54 0.04 0.00 -2.44 0.00 0.00 57.07 56.22 1pnx s TYR 69 Cb -0.04 -3.09 0.13 0.00 0.35 0.00 0.00 41.96 39.30 1pnx s TYR 69 CO -0.00 -1.22 0.25 0.42 -1.34 0.00 0.00 175.55 173.65 1pnx s ILE 70 N -2.21 2.34 0.86 3.14 1.01 -0.90 -0.24 121.20 125.20 1pnx s ILE 70 Ca 0.66 -3.13 -0.11 0.00 0.00 0.00 0.00 60.65 58.08 1pnx s ILE 70 Cb -0.18 -2.64 0.11 0.00 0.01 0.00 0.00 42.46 39.77 1pnx s ILE 70 CO 0.32 -0.81 1.14 -2.16 0.00 0.00 0.00 174.94 173.44 1pnx s PRO 71 N -0.11 1.41 0.00 2.79 0.04 -1.26 -4.77 135.00 133.10 1pnx s PRO 71 Ca 0.17 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1pnx s PRO 71 Cb -0.25 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1pnx s PRO 71 CO -0.00 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1pnx n GLY 72 N -0.05 2.68 0.19 0.56 0.00 -1.26 -4.85 105.19 102.46 1pnx n GLY 72 Ca 0.12 -1.74 -0.03 0.00 0.00 0.00 0.00 46.02 44.37 1pnx n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pnx h GLU 73 N 0.00 0.07 -2.74 1.61 4.39 -1.95 -3.43 114.58 112.53 1pnx h GLU 73 Ca 0.00 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1pnx h GLU 73 Cb 0.00 -0.02 -0.25 0.00 -0.10 0.00 0.00 28.75 28.38 1pnx h GLU 73 CO 0.00 0.04 -0.28 0.20 -1.16 0.00 0.00 179.01 177.82 1pnx s GLY 74 N -3.12 -0.30 0.41 -3.84 0.00 -1.26 -5.16 107.32 94.05 1pnx s GLY 74 Ca -0.14 1.25 0.04 0.00 0.00 0.00 0.00 44.72 45.88 1pnx s GLY 74 CO 0.72 1.22 0.35 -2.39 0.00 0.00 0.00 173.10 173.00 1pnx n HIS 75 N 3.39 -1.08 -1.76 1.90 1.44 -1.26 -4.70 115.22 113.14 1pnx n HIS 75 Ca -0.17 -1.70 0.02 0.00 -2.01 0.00 0.00 57.72 53.86 1pnx n HIS 75 Cb 0.56 -0.34 0.02 0.00 0.12 0.00 0.00 29.99 30.35 1pnx n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1pnx n ASN 76 N -1.98 0.43 -4.76 4.39 6.94 -1.26 -5.08 115.26 113.94 1pnx n ASN 76 Ca 0.01 -2.14 -0.40 0.00 -0.02 0.00 0.00 54.58 52.03 1pnx n ASN 76 Cb 0.46 -0.23 -0.04 0.00 -2.36 0.00 0.00 39.78 37.61 1pnx n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1pnx s LEU 77 N -0.51 4.54 0.00 -4.53 1.43 -1.26 -4.92 118.68 113.42 1pnx s LEU 77 Ca 0.06 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 1pnx s LEU 77 Cb 0.05 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1pnx s LEU 77 CO 0.01 -0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.42 1pnx n GLN 78 N 1.14 1.87 0.17 1.70 6.02 -1.26 -4.95 117.38 122.06 1pnx n GLN 78 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 1pnx n GLN 78 Cb 0.45 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.64 1pnx n GLN 78 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1pnx h GLU 79 N 0.00 -0.65 -0.81 -1.09 5.08 -1.88 -3.26 114.58 111.97 1pnx h GLU 79 Ca 0.00 0.04 -0.50 0.00 -1.00 0.00 0.00 59.36 57.91 1pnx h GLU 79 Cb 0.00 0.15 -0.27 0.00 0.50 0.00 0.00 28.75 29.13 1pnx h GLU 79 CO 0.00 -0.43 0.34 0.72 -1.00 0.00 0.00 179.01 178.64 1pnx n HIS 80 N -4.64 2.60 -2.68 4.33 8.25 -1.26 -2.95 115.22 118.89 1pnx n HIS 80 Ca -0.08 -2.24 -0.42 0.00 -0.26 0.00 0.00 57.72 54.72 1pnx n HIS 80 Cb 0.32 -0.92 -0.04 0.00 1.12 0.00 0.00 29.99 30.48 1pnx n HIS 80 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1pnx s SER 81 N -2.11 7.39 0.26 0.41 1.04 -1.23 -4.67 113.70 114.79 1pnx s SER 81 Ca 0.56 1.78 -0.29 0.00 0.48 0.00 0.00 55.95 58.48 1pnx s SER 81 Cb 0.46 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.91 1pnx s SER 81 CO 0.03 -0.20 1.13 -0.69 0.98 0.00 0.00 173.24 174.49 1pnx s VAL 82 N 0.50 3.47 0.18 5.02 1.01 -1.26 -1.20 120.40 128.11 1pnx s VAL 82 Ca 0.50 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.86 1pnx s VAL 82 Cb -0.23 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1pnx s VAL 82 CO 0.29 0.32 0.22 0.54 0.00 0.00 0.00 175.10 176.47 1pnx s VAL 83 N -0.94 0.04 -0.10 2.92 0.11 -0.14 -1.51 120.40 120.78 1pnx s VAL 83 Ca 0.46 -1.71 0.03 0.00 -2.93 0.00 0.00 61.98 57.84 1pnx s VAL 83 Cb -0.32 -2.16 -0.00 0.00 -1.53 0.00 0.00 36.38 32.36 1pnx s VAL 83 CO 0.41 -0.19 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.55 1pnx s LEU 84 N -3.06 2.23 -0.14 2.54 2.96 -1.26 -1.43 118.68 120.52 1pnx s LEU 84 Ca 0.27 -0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1pnx s LEU 84 Cb 0.05 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 1pnx s LEU 84 CO 0.06 0.17 0.10 -0.63 -1.32 0.00 0.00 176.35 174.73 1pnx s ILE 85 N 0.28 5.14 -0.49 6.68 1.01 0.16 -0.44 121.20 133.53 1pnx s ILE 85 Ca -0.15 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.62 1pnx s ILE 85 Cb -0.17 -3.26 0.04 0.00 0.01 0.00 0.00 42.46 39.08 1pnx s ILE 85 CO 0.08 0.55 0.70 -2.11 0.00 0.00 0.00 174.94 174.16 1pnx n ARG 86 N 2.61 0.06 -0.68 2.79 1.85 -0.29 -2.44 116.66 120.55 1pnx n ARG 86 Ca -0.18 -0.88 0.00 0.00 -1.00 0.00 0.00 57.85 55.78 1pnx n ARG 86 Cb 0.54 -1.08 0.00 0.00 -1.05 0.00 0.00 32.46 30.86 1pnx n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pnx n GLY 87 N 0.18 -3.96 0.00 2.89 0.00 -1.26 -4.81 105.19 98.24 1pnx n GLY 87 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1pnx n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pnx n GLY 88 N -0.09 3.05 3.03 -0.02 0.00 -0.48 -4.45 105.19 106.23 1pnx n GLY 88 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1pnx n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pnx n ARG 89 N 0.00 -1.52 -3.75 1.61 1.74 -1.20 -2.63 116.66 110.92 1pnx n ARG 89 Ca 0.00 -1.59 -0.27 0.00 -0.77 0.00 0.00 57.85 55.22 1pnx n ARG 89 Cb 0.00 -1.17 -0.17 0.00 -1.02 0.00 0.00 32.46 30.11 1pnx n ARG 89 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1pnx s VAL 90 N -3.14 0.55 0.43 1.55 1.01 -1.15 -4.90 120.40 114.75 1pnx s VAL 90 Ca 0.60 -0.52 0.26 0.00 0.00 0.00 0.00 61.98 62.32 1pnx s VAL 90 Cb -0.03 -1.02 0.45 0.00 0.00 0.00 0.00 36.38 35.79 1pnx s VAL 90 CO 0.43 -0.16 1.67 0.50 0.00 0.00 0.00 175.10 177.54 1pnx h LYS 91 N 8.24 0.18 0.00 2.72 1.63 -1.98 -2.12 116.57 125.24 1pnx h LYS 91 Ca -0.17 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.51 1pnx h LYS 91 Cb 1.12 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 1pnx h LYS 91 CO 0.33 0.12 -1.04 -0.44 -3.45 0.00 0.00 179.45 174.98 1pnx h ASP 92 N 0.18 0.00 -3.58 4.20 3.32 -1.97 -3.43 116.42 115.14 1pnx h ASP 92 Ca 0.74 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 57.02 1pnx h ASP 92 Cb 2.22 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 41.51 1pnx h ASP 92 CO -0.38 0.44 -0.05 -0.76 -1.72 0.00 0.00 179.24 176.78 1pnx s LEU 93 N -5.92 6.46 0.20 1.55 1.43 -0.80 -2.78 118.68 118.83 1pnx s LEU 93 Ca -0.00 -2.38 -0.32 0.00 -1.03 0.00 0.00 54.13 50.40 1pnx s LEU 93 Cb 0.08 -2.18 -0.12 0.00 0.03 0.00 0.00 46.19 44.00 1pnx s LEU 93 CO 0.78 -0.66 1.73 -2.65 0.23 0.00 0.00 176.35 175.79 1pnx n PRO 94 N 4.39 2.79 0.00 1.29 -0.02 -1.26 -1.95 135.00 140.24 1pnx n PRO 94 Ca 0.04 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1pnx n PRO 94 Cb 0.44 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1pnx n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pnx n GLY 95 N 4.00 0.39 3.31 -1.23 0.00 -1.26 -5.05 105.19 105.34 1pnx n GLY 95 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1pnx n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pnx s VAL 96 N -2.00 3.81 -1.25 1.61 1.01 -0.82 -4.50 120.40 118.26 1pnx s VAL 96 Ca 0.00 -0.86 0.12 0.00 0.00 0.00 0.00 61.98 61.24 1pnx s VAL 96 Cb 0.00 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1pnx s VAL 96 CO 0.00 0.01 0.77 0.54 0.00 0.00 0.00 175.10 176.41 1pnx n ARG 97 N 4.83 1.51 -4.03 2.72 1.74 -1.24 -2.91 116.66 119.28 1pnx n ARG 97 Ca -0.14 -0.87 -0.08 0.00 -0.77 0.00 0.00 57.85 55.99 1pnx n ARG 97 Cb 0.47 -1.17 -0.10 0.00 -1.02 0.00 0.00 32.46 30.63 1pnx n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1pnx s TYR 98 N -1.33 0.39 0.23 -1.55 1.51 -1.08 -1.38 117.35 114.14 1pnx s TYR 98 Ca 0.11 -0.82 0.06 0.00 -1.01 0.00 0.00 57.07 55.41 1pnx s TYR 98 Cb 0.10 -0.29 -0.04 0.00 -0.11 0.00 0.00 41.96 41.63 1pnx s TYR 98 CO 0.24 -0.34 0.21 -1.01 -1.11 0.00 0.00 175.55 173.55 1pnx s HIS 99 N -3.09 3.18 -0.14 2.71 3.76 -1.19 -0.75 115.29 119.77 1pnx s HIS 99 Ca -0.01 -0.07 -0.10 0.00 -0.15 0.00 0.00 55.06 54.72 1pnx s HIS 99 Cb 0.02 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 1pnx s HIS 99 CO -0.07 0.51 0.20 0.42 -0.85 0.00 0.00 174.74 174.95 1pnx s ILE 100 N -2.04 5.38 -0.38 0.60 1.01 0.67 -1.14 121.20 125.30 1pnx s ILE 100 Ca 0.33 0.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 1pnx s ILE 100 Cb -0.08 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.89 1pnx s ILE 100 CO 0.25 0.50 1.26 -0.69 0.00 0.00 0.00 174.94 176.26 1pnx s VAL 101 N -0.21 4.14 0.05 2.92 1.01 0.42 -4.57 120.40 124.16 1pnx s VAL 101 Ca 0.14 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 1pnx s VAL 101 Cb -0.12 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 1pnx s VAL 101 CO 0.03 -0.69 0.91 -0.13 0.00 0.00 0.00 175.10 175.23 1pnx s ARG 102 N 4.38 4.59 0.00 2.72 0.52 -1.26 -3.55 118.95 126.35 1pnx s ARG 102 Ca 0.54 1.33 0.00 0.00 -0.52 0.00 0.00 55.73 57.08 1pnx s ARG 102 Cb -0.13 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1pnx s ARG 102 CO 0.27 0.12 0.00 0.41 0.02 0.00 0.00 175.30 176.11 1pnx n GLY 103 N 2.58 0.80 3.22 -3.53 0.00 -0.32 -2.45 105.19 105.49 1pnx n GLY 103 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1pnx n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pnx s VAL 104 N -2.00 1.70 0.00 1.61 1.01 -1.16 -4.91 120.40 116.65 1pnx s VAL 104 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1pnx s VAL 104 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1pnx s VAL 104 CO 0.00 0.48 0.00 -1.22 0.00 0.00 0.00 175.10 174.36 1pnx n TYR 105 N 2.67 0.00 0.04 5.22 0.53 -1.26 -2.53 117.16 121.82 1pnx n TYR 105 Ca -0.16 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 56.80 1pnx n TYR 105 Cb 0.53 0.00 -0.09 0.00 -1.03 0.00 0.00 39.34 38.75 1pnx n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1pnx n ASP 106 N 10.64 0.49 -4.59 7.72 10.43 -0.57 -4.82 116.55 135.84 1pnx n ASP 106 Ca 0.00 0.20 -0.43 0.00 2.57 0.00 0.00 54.79 57.13 1pnx n ASP 106 Cb 0.00 0.98 -0.02 0.00 1.84 0.00 0.00 41.12 43.91 1pnx n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1pnx s ALA 107 N -3.27 2.98 0.73 2.24 0.00 -1.05 -4.83 121.76 118.56 1pnx s ALA 107 Ca -0.04 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1pnx s ALA 107 Cb 0.11 -3.98 0.03 0.00 0.00 0.00 0.00 23.12 19.28 1pnx s ALA 107 CO 0.84 -2.53 1.07 0.00 0.00 0.00 0.00 175.76 175.14 1pnx s ALA 108 N 5.65 2.50 1.02 0.00 0.00 -1.26 -1.17 121.76 128.50 1pnx s ALA 108 Ca 0.60 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.48 1pnx s ALA 108 Cb -0.13 -3.18 0.20 0.00 0.00 0.00 0.00 23.12 20.01 1pnx s ALA 108 CO 0.31 -1.43 1.20 0.20 0.00 0.00 0.00 175.76 176.04 1pnx s GLY 109 N -3.72 1.65 -0.01 0.00 0.00 -1.26 -3.97 107.32 100.01 1pnx s GLY 109 Ca 0.59 -0.91 -0.28 0.00 0.00 0.00 0.00 44.72 44.13 1pnx s GLY 109 CO 0.55 -0.17 0.89 0.14 0.00 0.00 0.00 173.10 174.51 1pnx s VAL 110 N -3.43 4.88 0.25 1.40 1.01 -0.99 -4.94 120.40 118.58 1pnx s VAL 110 Ca 0.70 1.87 -0.30 0.00 0.00 0.00 0.00 61.98 64.25 1pnx s VAL 110 Cb -0.09 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 1pnx s VAL 110 CO 0.54 0.21 0.96 -0.54 0.00 0.00 0.00 175.10 176.27 1pnx s LYS 111 N 0.82 4.81 -0.92 2.72 1.02 -1.26 -3.70 119.74 123.23 1pnx s LYS 111 Ca 0.47 1.52 0.00 0.00 0.02 0.00 0.00 55.97 57.98 1pnx s LYS 111 Cb -0.20 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1pnx s LYS 111 CO 0.25 0.46 0.00 -0.25 -0.92 0.00 0.00 175.35 174.90 1pnx n ASP 112 N 1.39 -3.63 -4.49 2.83 10.43 -1.26 -4.97 116.55 116.84 1pnx n ASP 112 Ca -0.02 0.07 -0.43 0.00 2.57 0.00 0.00 54.79 56.99 1pnx n ASP 112 Cb 0.47 -2.60 -0.05 0.00 1.84 0.00 0.00 41.12 40.78 1pnx n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1pnx s ARG 113 N -3.95 3.25 0.00 -1.24 3.00 -1.24 -4.89 118.95 113.87 1pnx s ARG 113 Ca 0.00 -0.51 0.20 0.00 -1.00 0.00 0.00 55.73 54.42 1pnx s ARG 113 Cb 0.00 -4.07 0.55 0.00 0.00 0.00 0.00 34.95 31.43 1pnx s ARG 113 CO 0.00 -1.36 1.46 1.63 0.00 0.00 0.00 175.30 177.03 1pnx n LYS 114 N 6.91 2.72 0.00 5.12 5.02 -1.26 -4.76 118.16 131.91 1pnx n LYS 114 Ca -0.02 -2.49 0.00 0.00 -2.02 0.00 0.00 58.31 53.79 1pnx n LYS 114 Cb 0.47 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1pnx n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pnx n LYS 115 N 1.37 0.00 -0.05 1.97 4.76 -1.26 -4.90 118.16 120.06 1pnx n LYS 115 Ca 0.21 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1pnx n LYS 115 Cb 0.57 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.76 1pnx n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1pnx n SER 116 N 0.00 0.40 -0.02 4.39 7.64 -1.26 -4.49 113.62 120.27 1pnx n SER 116 Ca 0.00 -1.29 0.22 0.00 1.01 0.00 0.00 58.87 58.81 1pnx n SER 116 Cb 0.00 -0.09 0.71 0.00 -1.01 0.00 0.00 64.21 63.82 1pnx n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1pnx h ARG 117 N 4.57 0.00 -1.01 1.43 3.08 -1.88 -1.12 114.38 119.44 1pnx h ARG 117 Ca 0.01 0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.29 1pnx h ARG 117 Cb 0.09 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.02 1pnx h ARG 117 CO 0.19 0.00 0.60 1.03 -1.07 0.00 0.00 179.97 180.72 1pnx h SER 118 N 0.00 0.69 -2.94 7.04 0.87 -1.86 -2.99 113.55 114.36 1pnx h SER 118 Ca 0.28 0.12 -0.56 0.00 -1.23 0.00 0.00 61.79 60.41 1pnx h SER 118 Cb 1.20 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.14 1pnx h SER 118 CO -0.00 0.15 -0.35 -0.54 -0.53 0.00 0.00 176.83 175.56 1pnx s LYS 119 N -5.77 3.54 -0.27 2.24 1.02 -0.42 -3.94 119.74 116.14 1pnx s LYS 119 Ca -0.11 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1pnx s LYS 119 Cb 0.27 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1pnx s LYS 119 CO 0.80 0.44 0.00 0.66 -0.92 0.00 0.00 175.35 176.33 1pnx n TYR 120 N -0.33 0.00 -1.73 3.18 0.53 -1.25 -4.55 117.16 113.00 1pnx n TYR 120 Ca -0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.84 1pnx n TYR 120 Cb 0.53 -0.82 0.00 0.00 -1.03 0.00 0.00 39.34 38.02 1pnx n TYR 120 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pnx n GLY 121 N -2.56 0.00 3.27 2.72 0.00 -1.03 -2.35 105.19 105.24 1pnx n GLY 121 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1pnx n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pnx s THR 122 N -1.86 2.62 1.05 2.61 -4.23 -1.16 -4.17 115.64 110.51 1pnx s THR 122 Ca 0.00 -0.79 -0.12 0.00 -1.18 0.00 0.00 61.69 59.59 1pnx s THR 122 Cb 0.00 -2.09 0.20 0.00 1.34 0.00 0.00 72.50 71.95 1pnx s THR 122 CO 0.00 0.52 0.92 0.29 -0.54 0.00 0.00 174.62 175.82 1pnx n LYS 123 N 3.90 -1.42 -2.23 3.99 4.76 -1.26 -4.76 118.16 121.13 1pnx n LYS 123 Ca -0.19 -0.37 -0.43 0.00 -2.87 0.00 0.00 58.31 54.45 1pnx n LYS 123 Cb 0.52 -2.18 -0.02 0.00 -1.84 0.00 0.00 35.03 31.51 1pnx n LYS 123 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1pnx s LYS 124 N -4.34 4.03 0.22 1.97 2.47 -1.26 -4.98 119.74 117.86 1pnx s LYS 124 Ca 0.66 1.72 -0.30 0.00 -1.56 0.00 0.00 55.97 56.49 1pnx s LYS 124 Cb -0.23 -3.92 -0.09 0.00 -1.46 0.00 0.00 37.83 32.13 1pnx s LYS 124 CO 0.63 -0.99 1.32 -1.25 0.16 0.00 0.00 175.35 175.22 1pnx s PRO 125 N 4.10 4.37 -0.54 4.03 0.04 -1.26 -4.95 135.00 140.79 1pnx s PRO 125 Ca 0.64 2.10 -0.28 0.00 0.04 0.00 0.00 61.00 63.50 1pnx s PRO 125 Cb -0.25 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.15 1pnx s PRO 125 CO 0.24 -0.26 1.16 -1.59 0.04 0.00 0.00 177.00 176.59 1pnx s LYS 126 N -0.30 3.58 -0.18 4.56 0.00 -1.26 -4.97 119.74 121.17 1pnx s LYS 126 Ca 0.56 0.34 -0.29 0.00 0.00 0.00 0.00 55.97 56.58 1pnx s LYS 126 Cb -0.37 -3.98 -0.04 0.00 0.00 0.00 0.00 37.83 33.43 1pnx s LYS 126 CO 0.40 -1.57 1.89 -1.83 0.00 0.00 0.00 175.35 174.24 1pnx s GLU 127 N 4.74 3.60 0.00 1.78 -1.05 -1.26 -5.34 118.70 121.17 1pnx s GLU 127 Ca 0.44 1.93 0.00 0.00 -0.15 0.00 0.00 54.97 57.19 1pnx s GLU 127 Cb -0.07 -4.18 0.00 0.00 -0.44 0.00 0.00 34.13 29.43 1pnx s GLU 127 CO 0.27 -1.55 0.32 0.00 0.95 0.00 0.00 175.26 175.26