#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5l s SER 2 N 0.00 6.77 0.22 1.61 1.04 -1.26 -4.90 113.70 117.17 1x5l s SER 2 Ca 0.00 1.91 -0.09 0.00 0.48 0.00 0.00 55.95 58.25 1x5l s SER 2 Cb 0.00 -2.54 0.32 0.00 0.10 0.00 0.00 66.02 63.91 1x5l s SER 2 CO 0.00 -0.88 1.71 -1.28 0.98 0.00 0.00 173.24 173.76 1x5l h SER 3 N 9.03 0.03 0.00 7.02 0.87 -2.10 -3.47 113.55 124.93 1x5l h SER 3 Ca -0.33 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1x5l h SER 3 Cb 1.14 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1x5l h SER 3 CO 0.97 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.89 1x5l n GLY 4 N -1.32 0.76 3.96 5.77 0.00 -1.26 -5.13 105.19 107.97 1x5l n GLY 4 Ca 0.10 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 1x5l n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5l s SER 5 N -1.03 6.32 -0.23 1.61 1.04 -1.26 -5.10 113.70 115.06 1x5l s SER 5 Ca 0.00 0.11 -0.08 0.00 0.48 0.00 0.00 55.95 56.47 1x5l s SER 5 Cb 0.00 -1.88 -0.04 0.00 0.10 0.00 0.00 66.02 64.20 1x5l s SER 5 CO 0.00 -0.07 0.08 -0.55 0.98 0.00 0.00 173.24 173.68 1x5l s SER 6 N -3.86 5.40 0.00 7.02 0.15 -1.26 -4.96 113.70 116.19 1x5l s SER 6 Ca 0.35 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1x5l s SER 6 Cb -0.09 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1x5l s SER 6 CO 0.29 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.38 1x5l n GLY 7 N 4.46 0.24 3.94 9.45 0.00 -1.26 -5.04 105.19 116.97 1x5l n GLY 7 Ca -0.16 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 1x5l n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5l s GLN 8 N 0.00 2.73 0.59 1.61 1.11 -1.26 -5.12 119.66 119.32 1x5l s GLN 8 Ca 0.00 -1.34 -0.09 0.00 0.01 0.00 0.00 55.36 53.94 1x5l s GLN 8 Cb 0.00 -2.58 -0.03 0.00 -1.01 0.00 0.00 33.01 29.39 1x5l s GLN 8 CO 0.00 -0.16 0.96 0.00 0.01 0.00 0.00 175.29 176.10 1x5l s ALA 9 N -2.38 3.17 0.59 6.09 0.00 -1.26 -4.75 121.76 123.22 1x5l s ALA 9 Ca 0.50 -0.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.04 1x5l s ALA 9 Cb -0.07 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1x5l s ALA 9 CO 0.30 -0.66 1.04 0.00 0.00 0.00 0.00 175.76 176.44 1x5l s ALA 10 N -3.07 2.83 0.80 0.00 0.00 -1.26 -4.55 121.76 116.50 1x5l s ALA 10 Ca 0.53 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 1x5l s ALA 10 Cb -0.11 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 19.90 1x5l s ALA 10 CO 0.51 -0.73 1.09 -1.25 0.00 0.00 0.00 175.76 175.37 1x5l s PRO 11 N -4.29 2.03 1.12 0.00 0.04 -1.25 -4.80 135.00 127.84 1x5l s PRO 11 Ca 0.61 1.09 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 1x5l s PRO 11 Cb -0.14 -1.88 0.25 0.00 0.04 0.00 0.00 34.50 32.77 1x5l s PRO 11 CO 0.39 -1.78 1.10 0.45 0.04 0.00 0.00 177.00 177.20 1x5l s SER 12 N -3.40 1.57 -0.30 6.66 0.15 -0.87 -4.41 113.70 113.10 1x5l s SER 12 Ca 0.62 0.86 -0.09 0.00 0.70 0.00 0.00 55.95 58.04 1x5l s SER 12 Cb -0.17 -1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 62.85 1x5l s SER 12 CO 0.56 -3.75 0.13 -1.58 1.20 0.00 0.00 173.24 169.80 1x5l s GLN 13 N -5.21 3.34 -0.15 5.44 0.74 -1.26 -4.59 119.66 117.97 1x5l s GLN 13 Ca 0.69 -0.71 -0.36 0.00 0.05 0.00 0.00 55.36 55.03 1x5l s GLN 13 Cb -0.14 -3.50 -0.13 0.00 1.10 0.00 0.00 33.01 30.35 1x5l s GLN 13 CO 0.57 -0.39 1.83 0.28 -0.55 0.00 0.00 175.29 177.03 1x5l n VAL 14 N 4.95 0.48 -0.83 1.34 0.31 -1.26 -4.84 118.33 118.48 1x5l n VAL 14 Ca -0.14 -0.09 0.08 0.00 -0.01 0.00 0.00 64.34 64.18 1x5l n VAL 14 Cb 0.49 -1.66 0.14 0.00 -0.91 0.00 0.00 33.84 31.90 1x5l n VAL 14 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1x5l n VAL 15 N 4.93 1.77 -3.90 2.52 0.24 -1.26 -3.91 118.33 118.72 1x5l n VAL 15 Ca 0.24 -1.92 -0.29 0.00 -2.04 0.00 0.00 64.34 60.33 1x5l n VAL 15 Cb 0.24 -0.08 -0.16 0.00 -1.47 0.00 0.00 33.84 32.37 1x5l n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1x5l s VAL 16 N -2.46 1.21 0.00 3.34 0.11 -1.26 -4.94 120.40 116.40 1x5l s VAL 16 Ca 0.28 -0.79 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 1x5l s VAL 16 Cb 0.24 -1.42 -0.01 0.00 -1.53 0.00 0.00 36.38 33.66 1x5l s VAL 16 CO 0.04 0.06 0.06 -0.63 -3.33 0.00 0.00 175.10 171.30 1x5l s ILE 17 N 1.57 0.07 0.12 7.04 1.01 -1.26 -3.92 121.20 125.84 1x5l s ILE 17 Ca -0.01 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1x5l s ILE 17 Cb -0.16 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 1x5l s ILE 17 CO -0.07 -0.34 0.14 -0.13 0.00 0.00 0.00 174.94 174.54 1x5l s ARG 18 N -1.08 0.93 -0.28 2.79 0.52 0.26 -4.94 118.95 117.15 1x5l s ARG 18 Ca -0.12 -1.22 -0.04 0.00 -0.52 0.00 0.00 55.73 53.83 1x5l s ARG 18 Cb -0.07 0.30 0.02 0.00 0.52 0.00 0.00 34.95 35.72 1x5l s ARG 18 CO 0.00 -0.29 0.01 -1.14 0.02 0.00 0.00 175.30 173.91 1x5l s GLN 19 N -3.96 2.92 -0.07 3.54 0.74 -1.26 -0.10 119.66 121.47 1x5l s GLN 19 Ca 0.15 -0.94 -0.01 0.00 0.05 0.00 0.00 55.36 54.60 1x5l s GLN 19 Cb 0.06 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.97 1x5l s GLN 19 CO -0.03 -0.44 0.07 0.93 -0.55 0.00 0.00 175.29 175.27 1x5l h GLU 20 N 8.12 -0.05 -2.33 1.67 4.39 -1.59 -3.48 114.58 121.30 1x5l h GLU 20 Ca -0.31 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.33 1x5l h GLU 20 Cb 1.11 0.01 -0.26 0.00 -0.10 0.00 0.00 28.75 29.51 1x5l h GLU 20 CO 0.59 -0.03 -0.33 1.03 -1.16 0.00 0.00 179.01 179.10 1x5l s ARG 21 N -1.60 0.37 -0.54 2.33 0.52 -1.23 -4.99 118.95 113.80 1x5l s ARG 21 Ca -0.01 1.07 -0.18 0.00 -0.52 0.00 0.00 55.73 56.09 1x5l s ARG 21 Cb 0.00 0.37 0.10 0.00 0.52 0.00 0.00 34.95 35.94 1x5l s ARG 21 CO 0.02 -0.28 0.59 0.00 0.02 0.00 0.00 175.30 175.65 1x5l s ALA 22 N 2.66 3.49 1.14 2.13 0.00 -1.26 -0.23 121.76 129.69 1x5l s ALA 22 Ca -0.01 -2.18 -0.18 0.00 0.00 0.00 0.00 51.96 49.59 1x5l s ALA 22 Cb -0.12 -3.35 0.26 0.00 0.00 0.00 0.00 23.12 19.91 1x5l s ALA 22 CO -0.14 -2.09 1.14 0.20 0.00 0.00 0.00 175.76 174.87 1x5l s GLY 23 N 3.25 1.61 0.07 0.00 0.00 0.84 -3.55 107.32 109.55 1x5l s GLY 23 Ca 0.09 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.57 1x5l s GLY 23 CO 0.07 -0.10 1.64 -1.61 0.00 0.00 0.00 173.10 173.10 1x5l h GLN 24 N -2.36 -0.64 -0.27 2.90 4.15 -1.92 0.35 115.11 117.32 1x5l h GLN 24 Ca -0.46 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1x5l h GLN 24 Cb 1.29 0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.12 1x5l h GLN 24 CO 0.37 -0.42 0.00 0.25 -1.93 0.00 0.00 178.83 177.10 1x5l n THR 25 N -5.37 1.61 -3.97 2.39 -2.24 -1.26 -3.57 114.28 101.87 1x5l n THR 25 Ca -0.12 -1.44 -0.10 0.00 -2.27 0.00 0.00 64.05 60.11 1x5l n THR 25 Cb 0.28 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1x5l n THR 25 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5l s SER 26 N -1.49 0.19 0.03 3.42 1.04 -1.22 -0.60 113.70 115.07 1x5l s SER 26 Ca 0.31 -1.09 -0.27 0.00 0.48 0.00 0.00 55.95 55.37 1x5l s SER 26 Cb 0.22 0.68 0.09 0.00 0.10 0.00 0.00 66.02 67.11 1x5l s SER 26 CO 0.11 -1.33 0.77 0.54 0.98 0.00 0.00 173.24 174.32 1x5l s VAL 27 N -3.38 0.00 -0.05 5.02 0.11 0.24 0.29 120.40 122.64 1x5l s VAL 27 Ca 0.22 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.33 1x5l s VAL 27 Cb -0.02 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 1x5l s VAL 27 CO 0.12 0.00 -0.25 -0.55 -3.33 0.00 0.00 175.10 171.10 1x5l s SER 28 N -2.29 3.01 0.35 3.54 0.15 0.67 0.23 113.70 119.36 1x5l s SER 28 Ca 0.01 -0.49 0.09 0.00 0.70 0.00 0.00 55.95 56.26 1x5l s SER 28 Cb -0.01 -0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 63.56 1x5l s SER 28 CO -0.07 0.26 0.04 -0.76 1.20 0.00 0.00 173.24 173.91 1x5l s LEU 29 N -0.28 3.02 -0.06 3.45 1.43 -1.01 -1.59 118.68 123.64 1x5l s LEU 29 Ca 0.00 -1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.08 1x5l s LEU 29 Cb -0.13 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.76 1x5l s LEU 29 CO 0.02 -0.29 0.12 -0.76 0.23 0.00 0.00 176.35 175.68 1x5l s LEU 30 N -3.75 0.24 -0.09 1.79 1.43 0.86 -4.00 118.68 115.17 1x5l s LEU 30 Ca 0.36 0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.64 1x5l s LEU 30 Cb 0.01 0.17 0.04 0.00 0.03 0.00 0.00 46.19 46.43 1x5l s LEU 30 CO 0.20 -0.22 0.21 -1.66 0.23 0.00 0.00 176.35 175.12 1x5l s TRP 31 N 1.92 -0.26 0.41 0.29 -2.14 -1.20 0.92 118.94 118.88 1x5l s TRP 31 Ca -0.00 0.65 -0.02 0.00 2.66 0.00 0.00 56.10 59.39 1x5l s TRP 31 Cb -0.12 0.03 -0.03 0.00 -3.10 0.00 0.00 33.47 30.26 1x5l s TRP 31 CO -0.05 -0.18 0.65 1.14 -2.66 0.00 0.00 176.95 175.85 1x5l s GLN 32 N 0.84 3.43 0.56 3.25 -2.07 -1.25 -4.74 119.66 119.68 1x5l s GLN 32 Ca -0.06 -0.17 -0.19 0.00 -1.82 0.00 0.00 55.36 53.11 1x5l s GLN 32 Cb -0.07 -2.54 -0.07 0.00 -1.09 0.00 0.00 33.01 29.23 1x5l s GLN 32 CO -0.05 -0.05 0.78 0.39 -1.32 0.00 0.00 175.29 175.05 1x5l n GLU 33 N -2.00 0.79 -1.47 9.60 4.71 -1.26 -4.84 120.64 126.17 1x5l n GLU 33 Ca -0.02 0.30 -0.32 0.00 -0.01 0.00 0.00 57.16 57.11 1x5l n GLU 33 Cb 0.56 -1.94 0.07 0.00 -1.01 0.00 0.00 31.44 29.13 1x5l n GLU 33 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1x5l s PRO 34 N -2.34 2.48 0.21 3.49 0.04 -1.26 -4.94 135.00 132.68 1x5l s PRO 34 Ca 0.71 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 1x5l s PRO 34 Cb -0.46 -1.92 0.23 0.00 0.04 0.00 0.00 34.50 32.39 1x5l s PRO 34 CO 0.52 -1.48 1.61 0.93 0.04 0.00 0.00 177.00 178.61 1x5l h GLU 35 N -0.64 -0.05 -2.80 4.56 5.08 -1.92 -3.36 114.58 115.45 1x5l h GLU 35 Ca -0.45 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.41 1x5l h GLU 35 Cb 1.24 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.10 1x5l h GLU 35 CO 0.52 -0.03 -0.76 -0.65 -1.00 0.00 0.00 179.01 177.09 1x5l s GLN 36 N -6.17 0.17 0.52 2.33 -1.52 -1.26 -4.99 119.66 108.75 1x5l s GLN 36 Ca -0.14 -0.41 0.33 0.00 -1.95 0.00 0.00 55.36 53.18 1x5l s GLN 36 Cb 0.19 -1.26 1.37 0.00 -0.22 0.00 0.00 33.01 33.10 1x5l s GLN 36 CO 0.73 -0.95 1.97 -1.00 -0.25 0.00 0.00 175.29 175.79 1x5l h PRO 37 N 8.40 0.00 -6.35 2.91 0.13 -1.94 -2.31 132.00 132.85 1x5l h PRO 37 Ca -0.19 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.46 1x5l h PRO 37 Cb 1.04 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 1x5l h PRO 37 CO 0.40 0.00 -0.79 0.09 -0.23 0.00 0.00 178.00 177.47 1x5l n ASN 38 N -3.00 -3.64 0.00 1.44 3.02 -1.26 -3.93 115.26 107.89 1x5l n ASN 38 Ca 0.01 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1x5l n ASN 38 Cb 0.29 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1x5l n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5l n GLY 39 N -1.66 0.88 3.74 7.41 0.00 -1.26 -4.74 105.19 109.57 1x5l n GLY 39 Ca -0.04 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 1x5l n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5l s ILE 40 N -2.18 5.36 -0.24 -0.61 1.09 -1.26 -5.07 121.20 118.29 1x5l s ILE 40 Ca 0.00 0.36 -0.18 0.00 -1.10 0.00 0.00 60.65 59.73 1x5l s ILE 40 Cb 0.00 -3.54 -0.03 0.00 -1.06 0.00 0.00 42.46 37.83 1x5l s ILE 40 CO 0.00 0.43 0.52 -0.63 -0.10 0.00 0.00 174.94 175.16 1x5l s ILE 41 N 0.32 5.08 0.04 2.92 1.01 -1.26 -3.81 121.20 125.50 1x5l s ILE 41 Ca 0.12 0.92 -0.26 0.00 0.00 0.00 0.00 60.65 61.43 1x5l s ILE 41 Cb -0.12 -3.84 -0.17 0.00 0.01 0.00 0.00 42.46 38.34 1x5l s ILE 41 CO 0.01 0.11 1.48 -0.07 0.00 0.00 0.00 174.94 176.47 1x5l h LEU 42 N 8.51 -0.26 -7.00 2.97 3.38 -1.76 -3.48 115.31 117.67 1x5l h LEU 42 Ca -0.30 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.64 1x5l h LEU 42 Cb 1.14 0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.80 1x5l h LEU 42 CO 0.73 -0.03 0.49 -1.83 0.09 0.00 0.00 178.44 177.89 1x5l s GLU 43 N -5.37 0.79 -0.31 1.13 -1.05 -1.26 -4.83 118.70 107.81 1x5l s GLU 43 Ca -0.15 -0.22 -0.13 0.00 -0.15 0.00 0.00 54.97 54.32 1x5l s GLU 43 Cb 0.04 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 1x5l s GLU 43 CO 0.62 -0.33 0.29 0.71 0.95 0.00 0.00 175.26 177.49 1x5l s TYR 44 N -2.78 3.22 0.01 4.83 1.51 0.15 -3.71 117.35 120.58 1x5l s TYR 44 Ca 0.04 0.04 -0.25 0.00 -1.01 0.00 0.00 57.07 55.88 1x5l s TYR 44 Cb -0.01 -2.52 -0.05 0.00 -0.11 0.00 0.00 41.96 39.27 1x5l s TYR 44 CO -0.07 -0.30 0.79 -2.00 -1.11 0.00 0.00 175.55 172.85 1x5l s GLU 45 N 1.88 4.50 -0.25 -0.62 2.12 -1.22 -2.20 118.70 122.91 1x5l s GLU 45 Ca 0.10 1.08 0.03 0.00 0.36 0.00 0.00 54.97 56.53 1x5l s GLU 45 Cb -0.16 -3.40 0.06 0.00 0.26 0.00 0.00 34.13 30.88 1x5l s GLU 45 CO 0.11 0.17 -0.11 0.42 -0.54 0.00 0.00 175.26 175.30 1x5l s ILE 46 N 0.35 2.10 -0.29 -3.70 1.01 0.16 -2.03 121.20 118.79 1x5l s ILE 46 Ca 0.41 -1.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.42 1x5l s ILE 46 Cb -0.20 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1x5l s ILE 46 CO 0.23 0.03 0.21 -0.75 0.00 0.00 0.00 174.94 174.65 1x5l s LYS 47 N 1.15 3.86 -0.09 2.79 2.20 -0.80 0.54 119.74 129.39 1x5l s LYS 47 Ca -0.07 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1x5l s LYS 47 Cb -0.19 -3.69 0.02 0.00 -1.51 0.00 0.00 37.83 32.46 1x5l s LYS 47 CO -0.06 -0.24 -0.10 1.52 -0.36 0.00 0.00 175.35 176.11 1x5l s TYR 48 N 1.77 1.50 0.11 4.03 -0.85 -0.47 -1.87 117.35 121.57 1x5l s TYR 48 Ca 0.07 -0.67 0.04 0.00 -0.52 0.00 0.00 57.07 55.99 1x5l s TYR 48 Cb -0.16 -1.17 -0.04 0.00 0.38 0.00 0.00 41.96 40.97 1x5l s TYR 48 CO 0.11 -0.41 -0.10 1.52 -1.52 0.00 0.00 175.55 175.15 1x5l s TYR 49 N 1.19 1.13 -0.47 -3.49 -0.85 -1.16 -3.76 117.35 109.94 1x5l s TYR 49 Ca -0.05 -0.69 -0.31 0.00 -0.52 0.00 0.00 57.07 55.51 1x5l s TYR 49 Cb -0.14 -0.61 -0.11 0.00 0.38 0.00 0.00 41.96 41.49 1x5l s TYR 49 CO -0.03 0.03 2.34 0.39 -1.52 0.00 0.00 175.55 176.76 1x5l n GLU 50 N 0.34 1.05 -0.22 -3.49 1.02 -1.22 -1.86 120.64 116.25 1x5l n GLU 50 Ca -0.14 0.19 -0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1x5l n GLU 50 Cb 0.59 -2.75 0.06 0.00 -0.02 0.00 0.00 31.44 29.32 1x5l n GLU 50 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1x5l h LYS 51 N 15.02 -0.02 -0.16 3.49 1.63 -1.36 -1.01 116.57 134.17 1x5l h LYS 51 Ca -0.25 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.39 1x5l h LYS 51 Cb 1.29 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.93 1x5l h LYS 51 CO 1.11 -0.01 -0.54 -0.44 -3.45 0.00 0.00 179.45 176.12 1x5l h ASP 52 N -0.02 0.76 -3.45 4.20 3.32 -1.88 -3.41 116.42 115.94 1x5l h ASP 52 Ca 0.31 -0.60 -0.72 0.00 0.02 0.00 0.00 57.03 56.04 1x5l h ASP 52 Cb 0.49 -0.22 -0.24 0.00 0.22 0.00 0.00 39.33 39.58 1x5l h ASP 52 CO -0.68 1.23 -0.43 -0.54 -1.72 0.00 0.00 179.24 177.09 1x5l s LYS 53 N -3.85 2.83 -0.63 3.56 -0.14 -0.39 -5.04 119.74 116.08 1x5l s LYS 53 Ca -0.12 -1.26 -0.24 0.00 -1.36 0.00 0.00 55.97 52.99 1x5l s LYS 53 Cb 0.07 -3.90 0.05 0.00 -1.68 0.00 0.00 37.83 32.38 1x5l s LYS 53 CO 0.85 -0.88 1.00 -1.21 -0.76 0.00 0.00 175.35 174.35 1x5l s GLU 54 N 1.56 3.20 0.08 1.68 2.02 -1.21 -3.38 118.70 122.64 1x5l s GLU 54 Ca 0.03 -0.55 -0.21 0.00 0.02 0.00 0.00 54.97 54.27 1x5l s GLU 54 Cb -0.22 -4.16 -0.07 0.00 0.10 0.00 0.00 34.13 29.79 1x5l s GLU 54 CO 0.06 -1.74 0.62 -1.64 0.02 0.00 0.00 175.26 172.58 1x5l s MET 55 N 4.25 4.31 0.17 1.61 -1.94 -1.26 -4.98 119.30 121.44 1x5l s MET 55 Ca 0.27 0.83 -0.19 0.00 -1.71 0.00 0.00 55.69 54.89 1x5l s MET 55 Cb -0.14 -3.27 0.09 0.00 2.01 0.00 0.00 34.83 33.52 1x5l s MET 55 CO 0.14 0.56 1.64 0.37 -0.01 0.00 0.00 175.02 177.72 1x5l h GLN 56 N 4.75 -0.12 -4.88 2.03 4.15 -2.03 -3.36 115.11 115.64 1x5l h GLN 56 Ca -0.48 0.01 -0.68 0.00 0.77 0.00 0.00 58.65 58.27 1x5l h GLN 56 Cb 1.21 0.03 -0.18 0.00 0.21 0.00 0.00 27.48 28.75 1x5l h GLN 56 CO 0.65 -0.08 -0.27 0.45 -1.93 0.00 0.00 178.83 177.65 1x5l s SER 57 N -5.13 6.18 0.34 -0.69 0.15 -1.26 -5.07 113.70 108.21 1x5l s SER 57 Ca -0.14 -0.43 -0.08 0.00 0.70 0.00 0.00 55.95 55.99 1x5l s SER 57 Cb 0.14 -2.20 -0.06 0.00 -1.71 0.00 0.00 66.02 62.19 1x5l s SER 57 CO 0.70 -0.43 0.66 -0.72 1.20 0.00 0.00 173.24 174.65 1x5l s TYR 58 N 2.03 3.46 -0.17 3.44 -0.85 -1.26 -5.07 117.35 118.94 1x5l s TYR 58 Ca 0.11 0.88 -0.14 0.00 -0.52 0.00 0.00 57.07 57.40 1x5l s TYR 58 Cb -0.17 -2.30 -0.05 0.00 0.38 0.00 0.00 41.96 39.83 1x5l s TYR 58 CO 0.12 0.05 0.30 -1.12 -1.52 0.00 0.00 175.55 173.38 1x5l s SER 59 N -3.04 6.42 0.23 -0.18 0.01 -1.25 -4.98 113.70 110.92 1x5l s SER 59 Ca 0.48 0.49 0.08 0.00 1.31 0.00 0.00 55.95 58.31 1x5l s SER 59 Cb -0.11 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1x5l s SER 59 CO 0.29 0.08 0.09 0.42 0.41 0.00 0.00 173.24 174.53 1x5l s THR 60 N 0.56 4.01 -0.07 1.44 -4.23 -1.26 -1.37 115.64 114.72 1x5l s THR 60 Ca 0.16 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1x5l s THR 60 Cb -0.13 -3.12 0.02 0.00 1.34 0.00 0.00 72.50 70.61 1x5l s THR 60 CO 0.04 -0.29 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.53 1x5l s LEU 61 N -3.54 1.38 -0.25 4.79 2.96 0.19 -4.89 118.68 119.31 1x5l s LEU 61 Ca 0.31 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.79 1x5l s LEU 61 Cb -0.08 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 1x5l s LEU 61 CO 0.22 -0.04 0.55 -0.54 -1.32 0.00 0.00 176.35 175.22 1x5l s LYS 62 N 1.06 4.10 -0.08 1.98 3.01 -1.26 -0.67 119.74 127.88 1x5l s LYS 62 Ca -0.08 0.40 0.02 0.00 -1.01 0.00 0.00 55.97 55.31 1x5l s LYS 62 Cb -0.14 -3.64 0.01 0.00 -1.01 0.00 0.00 37.83 33.05 1x5l s LYS 62 CO -0.01 -0.35 -0.15 0.00 0.51 0.00 0.00 175.35 175.36 1x5l s ALA 63 N 2.29 1.51 0.05 5.17 0.00 -0.93 -4.98 121.76 124.87 1x5l s ALA 63 Ca 0.23 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.63 1x5l s ALA 63 Cb -0.16 -0.69 -0.25 0.00 0.00 0.00 0.00 23.12 22.03 1x5l s ALA 63 CO 0.09 0.07 1.04 -0.39 0.00 0.00 0.00 175.76 176.57 1x5l h VAL 64 N 5.94 1.39 -1.70 0.00 -1.51 -1.87 0.46 116.25 118.94 1x5l h VAL 64 Ca -0.29 -3.07 -0.42 0.00 -1.23 0.00 0.00 66.70 61.68 1x5l h VAL 64 Cb 1.19 2.78 0.03 0.00 -2.13 0.00 0.00 31.29 33.15 1x5l h VAL 64 CO 0.47 0.84 -0.21 0.28 -1.23 0.00 0.00 177.57 177.73 1x5l s THR 65 N -2.66 2.97 -2.00 7.19 -1.32 -1.26 -4.81 115.64 113.75 1x5l s THR 65 Ca -0.04 -0.92 0.12 0.00 -1.21 0.00 0.00 61.69 59.64 1x5l s THR 65 Cb 0.08 -3.02 0.34 0.00 -1.51 0.00 0.00 72.50 68.40 1x5l s THR 65 CO 0.84 -0.01 1.35 0.35 -2.21 0.00 0.00 174.62 174.94 1x5l n THR 66 N -1.95 0.00 -3.85 5.08 -2.24 -1.26 -4.60 114.28 105.45 1x5l n THR 66 Ca 0.08 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 1x5l n THR 66 Cb 0.59 -0.30 -0.17 0.00 -2.10 0.00 0.00 70.33 68.35 1x5l n THR 66 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x5l s ARG 67 N -2.00 1.14 0.10 -0.78 0.52 -1.26 -3.27 118.95 113.40 1x5l s ARG 67 Ca 0.18 -0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.30 1x5l s ARG 67 Cb 0.08 -1.39 -0.03 0.00 0.52 0.00 0.00 34.95 34.13 1x5l s ARG 67 CO 0.14 -0.30 -0.11 0.00 0.02 0.00 0.00 175.30 175.04 1x5l s ALA 68 N 1.81 1.19 -0.32 2.13 0.00 -1.26 -4.93 121.76 120.38 1x5l s ALA 68 Ca 0.05 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1x5l s ALA 68 Cb -0.13 -0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.06 1x5l s ALA 68 CO -0.07 0.02 0.03 0.99 0.00 0.00 0.00 175.76 176.73 1x5l s THR 69 N -2.17 2.73 -0.21 0.00 2.01 -1.26 -2.40 115.64 114.33 1x5l s THR 69 Ca 0.05 -1.78 -0.29 0.00 0.31 0.00 0.00 61.69 59.98 1x5l s THR 69 Cb -0.05 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1x5l s THR 69 CO 0.01 -0.31 1.72 -0.69 -0.69 0.00 0.00 174.62 174.66 1x5l s VAL 70 N 1.12 3.54 0.17 3.82 1.01 0.64 -4.82 120.40 125.89 1x5l s VAL 70 Ca 0.00 0.61 0.11 0.00 0.00 0.00 0.00 61.98 62.70 1x5l s VAL 70 Cb -0.20 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1x5l s VAL 70 CO -0.04 -0.25 -0.24 -0.55 0.00 0.00 0.00 175.10 174.02 1x5l s SER 71 N 4.82 3.47 0.00 3.32 0.15 -1.26 0.80 113.70 125.01 1x5l s SER 71 Ca 0.77 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1x5l s SER 71 Cb -0.27 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1x5l s SER 71 CO 0.31 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.50 1x5l n GLY 72 N 0.43 0.69 3.58 9.45 0.00 -0.77 -4.98 105.19 113.59 1x5l n GLY 72 Ca -0.14 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 1x5l n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5l s LEU 73 N -1.29 2.14 -0.09 0.99 1.43 0.23 -5.02 118.68 117.08 1x5l s LEU 73 Ca 0.00 -1.62 -0.03 0.00 -1.03 0.00 0.00 54.13 51.45 1x5l s LEU 73 Cb 0.00 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.83 1x5l s LEU 73 CO 0.00 -0.85 0.06 -0.54 0.23 0.00 0.00 176.35 175.26 1x5l s LYS 74 N -3.78 3.16 0.26 1.70 1.02 -1.26 -4.58 119.74 116.26 1x5l s LYS 74 Ca 0.21 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.59 1x5l s LYS 74 Cb 0.03 -2.95 -0.09 0.00 -0.52 0.00 0.00 37.83 34.30 1x5l s LYS 74 CO 0.12 0.72 1.27 -1.25 -0.92 0.00 0.00 175.35 175.28 1x5l s PRO 75 N -1.07 4.43 -1.08 -1.68 0.04 -1.24 -3.59 135.00 130.80 1x5l s PRO 75 Ca 0.15 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.25 1x5l s PRO 75 Cb -0.12 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.27 1x5l s PRO 75 CO 0.05 -0.14 0.90 0.41 0.04 0.00 0.00 177.00 178.26 1x5l n GLY 76 N 1.62 -0.30 2.94 0.56 0.00 -1.26 -4.85 105.19 103.90 1x5l n GLY 76 Ca 0.03 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1x5l n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5l s THR 77 N -3.33 -0.50 0.49 2.61 2.01 -1.24 -5.03 115.64 110.66 1x5l s THR 77 Ca 0.01 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 1x5l s THR 77 Cb -0.00 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.74 1x5l s THR 77 CO 0.66 -0.07 1.15 0.54 -0.69 0.00 0.00 174.62 176.21 1x5l n ARG 78 N 5.35 1.48 -3.78 4.92 1.74 -1.26 -3.94 116.66 121.17 1x5l n ARG 78 Ca -0.05 0.54 -0.15 0.00 -0.77 0.00 0.00 57.85 57.42 1x5l n ARG 78 Cb 0.50 -2.28 -0.16 0.00 -1.02 0.00 0.00 32.46 29.50 1x5l n ARG 78 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1x5l s TYR 79 N -1.32 0.02 -0.40 -1.55 2.02 0.04 -0.95 117.35 115.21 1x5l s TYR 79 Ca 0.67 0.12 -0.22 0.00 -0.37 0.00 0.00 57.07 57.28 1x5l s TYR 79 Cb -0.48 -0.20 0.01 0.00 -0.40 0.00 0.00 41.96 40.89 1x5l s TYR 79 CO 0.53 -0.08 0.71 0.08 -1.57 0.00 0.00 175.55 175.22 1x5l s VAL 80 N 0.93 4.78 0.03 0.71 1.01 -0.78 -1.73 120.40 125.36 1x5l s VAL 80 Ca -0.08 0.53 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1x5l s VAL 80 Cb -0.11 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1x5l s VAL 80 CO -0.03 -0.49 0.30 -0.36 0.00 0.00 0.00 175.10 174.53 1x5l s PHE 81 N 2.96 3.57 -0.20 5.22 0.08 0.06 -3.01 117.98 126.66 1x5l s PHE 81 Ca 0.27 0.61 -0.04 0.00 0.12 0.00 0.00 56.93 57.89 1x5l s PHE 81 Cb -0.14 -2.02 0.10 0.00 -0.57 0.00 0.00 43.02 40.39 1x5l s PHE 81 CO 0.18 0.58 0.28 -0.65 -0.10 0.00 0.00 175.22 175.51 1x5l s GLN 82 N -1.85 0.23 0.19 0.44 -1.52 -0.78 -1.55 119.66 114.83 1x5l s GLN 82 Ca 0.30 0.42 -0.06 0.00 -1.95 0.00 0.00 55.36 54.07 1x5l s GLN 82 Cb -0.13 -0.75 -0.06 0.00 -0.22 0.00 0.00 33.01 31.85 1x5l s GLN 82 CO 0.17 -0.58 0.45 0.08 -0.25 0.00 0.00 175.29 175.16 1x5l s VAL 83 N 2.41 5.09 0.25 1.09 1.01 -1.26 -1.91 120.40 127.08 1x5l s VAL 83 Ca 0.07 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1x5l s VAL 83 Cb -0.15 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1x5l s VAL 83 CO -0.13 -0.07 0.33 0.00 0.00 0.00 0.00 175.10 175.24 1x5l s ARG 84 N -2.91 1.49 -0.10 2.72 1.70 -0.86 -0.89 118.95 120.10 1x5l s ARG 84 Ca 0.43 -1.53 -0.01 0.00 -0.47 0.00 0.00 55.73 54.15 1x5l s ARG 84 Cb -0.12 0.38 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1x5l s ARG 84 CO 0.25 -0.57 -0.06 0.00 -1.08 0.00 0.00 175.30 173.84 1x5l s ALA 85 N -3.87 1.17 -0.10 7.88 0.00 -1.26 -3.37 121.76 122.20 1x5l s ALA 85 Ca 0.31 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1x5l s ALA 85 Cb 0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1x5l s ALA 85 CO 0.13 -0.41 -0.19 0.50 0.00 0.00 0.00 175.76 175.79 1x5l s ARG 86 N 1.74 3.03 0.31 0.00 3.52 -1.24 -1.72 118.95 124.59 1x5l s ARG 86 Ca 0.04 -0.79 0.10 0.00 -0.13 0.00 0.00 55.73 54.95 1x5l s ARG 86 Cb -0.13 -2.41 -0.06 0.00 -1.56 0.00 0.00 34.95 30.80 1x5l s ARG 86 CO -0.07 0.27 -0.12 0.95 -0.81 0.00 0.00 175.30 175.52 1x5l s THR 87 N 0.15 2.21 0.27 4.11 -4.23 0.25 -1.98 115.64 116.41 1x5l s THR 87 Ca -0.10 -2.26 -0.01 0.00 -1.18 0.00 0.00 61.69 58.14 1x5l s THR 87 Cb -0.16 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 71.45 1x5l s THR 87 CO 0.06 -0.29 1.81 0.77 -0.54 0.00 0.00 174.62 176.43 1x5l h SER 88 N 2.15 0.77 0.86 3.99 4.64 -1.98 -2.79 113.55 121.20 1x5l h SER 88 Ca -0.41 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1x5l h SER 88 Cb 1.25 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1x5l h SER 88 CO 0.67 0.40 -0.41 0.00 -0.87 0.00 0.00 176.83 176.61 1x5l h ALA 89 N 1.52 -1.16 -2.69 5.18 0.00 -1.91 -3.48 119.26 116.71 1x5l h ALA 89 Ca 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1x5l h ALA 89 Cb 0.50 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1x5l h ALA 89 CO -0.28 -1.08 0.00 0.41 0.00 0.00 0.00 179.25 178.30 1x5l n GLY 90 N -1.16 3.41 3.42 0.00 0.00 -1.05 -4.91 105.19 104.90 1x5l n GLY 90 Ca -0.14 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 1x5l n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5l n GLY 92 N -0.53 3.73 3.85 0.00 0.00 -0.70 -4.40 105.19 107.14 1x5l n GLY 92 Ca -0.06 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 1x5l n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x5l s ARG 93 N 2.59 2.24 -0.07 1.61 0.52 -1.26 -4.89 118.95 119.69 1x5l s ARG 93 Ca 0.00 -2.11 -0.16 0.00 -0.52 0.00 0.00 55.73 52.93 1x5l s ARG 93 Cb 0.00 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 1x5l s ARG 93 CO 0.00 -0.49 0.43 -0.06 0.02 0.00 0.00 175.30 175.20 1x5l s PHE 94 N -2.79 3.60 1.32 -0.53 0.08 -1.26 -4.29 117.98 114.11 1x5l s PHE 94 Ca 0.26 0.91 -0.18 0.00 0.12 0.00 0.00 56.93 58.03 1x5l s PHE 94 Cb -0.01 -2.42 0.33 0.00 -0.57 0.00 0.00 43.02 40.36 1x5l s PHE 94 CO 0.16 0.38 0.89 0.45 -0.10 0.00 0.00 175.22 177.00 1x5l n SER 95 N 2.86 -2.96 -4.68 1.36 2.88 -0.07 -4.88 113.62 108.13 1x5l n SER 95 Ca -0.11 -0.51 -0.43 0.00 -1.33 0.00 0.00 58.87 56.50 1x5l n SER 95 Cb 0.52 -1.12 -0.01 0.00 -0.75 0.00 0.00 64.21 62.85 1x5l n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5l n GLN 96 N -5.20 2.03 -1.51 -1.46 6.02 -1.26 -4.76 117.38 111.24 1x5l n GLN 96 Ca 0.07 0.71 -0.41 0.00 -0.01 0.00 0.00 57.00 57.36 1x5l n GLN 96 Cb 0.57 -2.28 -0.07 0.00 1.02 0.00 0.00 30.24 29.47 1x5l n GLN 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x5l n ALA 97 N 0.56 0.76 -2.15 -1.58 0.00 -1.26 -4.84 120.51 111.99 1x5l n ALA 97 Ca 0.06 -0.51 -0.38 0.00 0.00 0.00 0.00 53.44 52.62 1x5l n ALA 97 Cb 0.35 -2.77 -0.06 0.00 0.00 0.00 0.00 19.45 16.97 1x5l n ALA 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1x5l s MET 98 N 7.89 4.29 -0.15 0.00 1.75 -0.59 -4.95 119.30 127.53 1x5l s MET 98 Ca 1.12 0.86 0.02 0.00 -1.25 0.00 0.00 55.69 56.44 1x5l s MET 98 Cb -0.66 -3.09 0.01 0.00 2.84 0.00 0.00 34.83 33.93 1x5l s MET 98 CO 0.39 0.53 -0.21 -1.21 -0.65 0.00 0.00 175.02 173.86 1x5l s GLU 99 N -1.50 2.96 -0.03 4.11 2.02 -1.26 -0.76 118.70 124.23 1x5l s GLU 99 Ca 0.36 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 1x5l s GLU 99 Cb -0.19 -2.44 0.03 0.00 0.10 0.00 0.00 34.13 31.63 1x5l s GLU 99 CO 0.21 -0.08 0.07 0.08 0.02 0.00 0.00 175.26 175.56 1x5l s VAL 100 N 0.98 -0.05 -0.27 2.63 1.01 -0.70 -4.99 120.40 119.01 1x5l s VAL 100 Ca -0.03 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 1x5l s VAL 100 Cb -0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1x5l s VAL 100 CO -0.05 0.07 0.11 -0.70 0.00 0.00 0.00 175.10 174.52 1x5l s GLU 101 N 0.90 3.61 1.11 2.72 2.12 -1.26 -0.78 118.70 127.10 1x5l s GLU 101 Ca -0.07 -0.52 -0.15 0.00 0.36 0.00 0.00 54.97 54.58 1x5l s GLU 101 Cb -0.10 -3.44 0.22 0.00 0.26 0.00 0.00 34.13 31.07 1x5l s GLU 101 CO -0.03 -0.25 0.48 0.25 -0.54 0.00 0.00 175.26 175.17 1x5l n THR 102 N 4.96 0.00 -2.60 -1.70 -2.24 -1.25 -4.84 114.28 106.61 1x5l n THR 102 Ca -0.15 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1x5l n THR 102 Cb 0.51 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 1x5l n THR 102 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5l s GLY 103 N -2.23 1.32 0.64 3.38 0.00 0.12 -4.49 107.32 106.07 1x5l s GLY 103 Ca 0.42 -0.42 -0.18 0.00 0.00 0.00 0.00 44.72 44.55 1x5l s GLY 103 CO 0.37 2.41 1.28 0.54 0.00 0.00 0.00 173.10 177.70 1x5l s LYS 104 N 4.37 2.59 0.00 2.90 1.02 -1.26 -4.00 119.74 125.36 1x5l s LYS 104 Ca 0.48 2.02 0.12 0.00 0.02 0.00 0.00 55.97 58.60 1x5l s LYS 104 Cb -0.08 -1.86 0.70 0.00 -0.52 0.00 0.00 37.83 36.08 1x5l s LYS 104 CO 0.30 -1.56 1.13 -0.35 -0.92 0.00 0.00 175.35 173.95 1x5l n PRO 105 N -1.90 0.49 -0.22 -1.68 -0.04 -1.26 -3.75 135.00 126.63 1x5l n PRO 105 Ca 0.15 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1x5l n PRO 105 Cb 0.48 -1.38 0.11 0.00 -0.04 0.00 0.00 33.50 32.68 1x5l n PRO 105 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x5l h SER 106 N 0.00 -0.34 -2.21 3.54 0.02 -2.02 -3.47 113.55 109.06 1x5l h SER 106 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1x5l h SER 106 Cb 0.00 0.31 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1x5l h SER 106 CO 0.00 -0.15 0.00 0.61 -1.14 0.00 0.00 176.83 176.15 1x5l n GLY 107 N -1.39 0.22 3.58 -3.77 0.00 -1.25 -5.14 105.19 97.44 1x5l n GLY 107 Ca 0.10 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 1x5l n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5l s PRO 108 N -1.46 -1.49 -0.03 1.61 0.04 -1.26 -4.96 135.00 127.45 1x5l s PRO 108 Ca 0.00 -0.15 -0.11 0.00 0.04 0.00 0.00 61.00 60.77 1x5l s PRO 108 Cb 0.00 -1.57 0.02 0.00 0.04 0.00 0.00 34.50 32.98 1x5l s PRO 108 CO 0.00 -3.87 0.25 0.45 0.04 0.00 0.00 177.00 173.87 1x5l s SER 109 N -3.96 -0.15 -0.19 6.66 0.15 -1.26 -5.15 113.70 109.80 1x5l s SER 109 Ca 0.72 0.12 0.01 0.00 0.70 0.00 0.00 55.95 57.50 1x5l s SER 109 Cb -0.08 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1x5l s SER 109 CO 0.56 -0.34 -0.16 -0.44 1.20 0.00 0.00 173.24 174.06 1x5l s SER 110 N -0.97 3.30 0.00 5.45 0.01 -1.26 -5.35 113.70 114.88 1x5l s SER 110 Ca -0.10 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1x5l s SER 110 Cb -0.05 -1.39 0.00 0.00 0.21 0.00 0.00 66.02 64.79 1x5l s SER 110 CO 0.03 -0.07 0.45 0.61 0.41 0.00 0.00 173.24 174.66