#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5l h SER 2 N 0.00 -0.18 -3.25 1.61 4.64 -2.09 -3.41 113.55 110.86 1x5l h SER 2 Ca 0.00 0.11 -0.57 0.00 -0.47 0.00 0.00 61.79 60.87 1x5l h SER 2 Cb 0.00 0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1x5l h SER 2 CO 0.00 -0.06 -0.23 -0.44 -0.87 0.00 0.00 176.83 175.23 1x5l s SER 3 N -5.26 6.57 0.00 4.97 0.01 -1.26 -4.81 113.70 113.92 1x5l s SER 3 Ca -0.13 0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1x5l s SER 3 Cb 0.16 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.24 1x5l s SER 3 CO 0.72 0.03 0.00 0.61 0.41 0.00 0.00 173.24 175.02 1x5l n GLY 4 N 0.17 1.11 3.61 3.44 0.00 -1.26 -5.07 105.19 107.19 1x5l n GLY 4 Ca -0.02 -0.46 -0.47 0.00 0.00 0.00 0.00 46.02 45.07 1x5l n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5l n SER 5 N 0.00 3.25 0.03 1.61 2.88 -1.26 -4.86 113.62 115.27 1x5l n SER 5 Ca 0.00 0.65 -0.19 0.00 -1.33 0.00 0.00 58.87 58.00 1x5l n SER 5 Cb 0.00 -1.42 -0.13 0.00 -0.75 0.00 0.00 64.21 61.91 1x5l n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x5l h SER 6 N 11.57 0.51 0.00 -3.46 0.87 -1.97 -3.50 113.55 117.56 1x5l h SER 6 Ca -0.43 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.28 1x5l h SER 6 Cb 1.27 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1x5l h SER 6 CO 0.96 1.31 0.00 0.61 -0.53 0.00 0.00 176.83 179.19 1x5l n GLY 7 N 1.36 -0.61 2.80 5.77 0.00 -1.26 -5.13 105.19 108.12 1x5l n GLY 7 Ca -0.12 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.60 0.39 -0.04 1.61 1.11 -1.26 -4.96 119.66 115.90 1x5l s GLN 8 Ca 0.00 0.10 0.00 0.00 0.01 0.00 0.00 55.36 55.47 1x5l s GLN 8 Cb 0.00 -0.65 0.03 0.00 -1.01 0.00 0.00 33.01 31.38 1x5l s GLN 8 CO 0.00 -0.19 -0.01 0.00 0.01 0.00 0.00 175.29 175.09 1x5l s ALA 9 N 1.39 0.52 0.38 6.09 0.00 -1.26 -5.00 121.76 123.88 1x5l s ALA 9 Ca -0.04 0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.67 1x5l s ALA 9 Cb -0.13 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.44 1x5l s ALA 9 CO -0.02 -0.15 1.39 0.00 0.00 0.00 0.00 175.76 176.98 1x5l s ALA 10 N 1.22 3.45 0.87 0.00 0.00 -1.26 -4.63 121.76 121.40 1x5l s ALA 10 Ca -0.07 1.40 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 1x5l s ALA 10 Cb -0.13 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.55 1x5l s ALA 10 CO -0.02 -0.91 1.09 -1.25 0.00 0.00 0.00 175.76 174.67 1x5l s PRO 11 N -2.09 1.47 0.34 0.00 0.04 -1.25 -4.79 135.00 128.72 1x5l s PRO 11 Ca 0.54 0.89 -0.28 0.00 0.04 0.00 0.00 61.00 62.19 1x5l s PRO 11 Cb -0.43 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1x5l s PRO 11 CO 0.57 -2.12 1.19 -1.12 0.04 0.00 0.00 177.00 175.56 1x5l s SER 12 N -3.42 6.82 -0.20 6.66 0.01 0.87 -4.56 113.70 119.88 1x5l s SER 12 Ca 0.63 2.43 -0.29 0.00 1.31 0.00 0.00 55.95 60.03 1x5l s SER 12 Cb -0.18 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.42 1x5l s SER 12 CO 0.57 -0.47 1.25 -1.58 0.41 0.00 0.00 173.24 173.41 1x5l s GLN 13 N -1.89 4.17 -0.07 12.44 0.74 -1.26 -4.69 119.66 129.10 1x5l s GLN 13 Ca 0.51 1.55 -0.33 0.00 0.05 0.00 0.00 55.36 57.14 1x5l s GLN 13 Cb -0.34 -3.77 -0.11 0.00 1.10 0.00 0.00 33.01 29.89 1x5l s GLN 13 CO 0.44 -0.78 1.94 0.28 -0.55 0.00 0.00 175.29 176.61 1x5l n VAL 14 N 5.53 0.62 -0.67 1.34 0.31 -1.26 -4.83 118.33 119.38 1x5l n VAL 14 Ca 0.14 -0.14 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1x5l n VAL 14 Cb 0.45 -2.04 0.17 0.00 -0.91 0.00 0.00 33.84 31.51 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 5.46 1.71 -3.91 2.52 0.24 -1.26 -4.04 118.33 119.05 1x5l n VAL 15 Ca 0.23 -1.62 -0.30 0.00 -2.04 0.00 0.00 64.34 60.60 1x5l n VAL 15 Cb 0.33 0.04 -0.16 0.00 -1.47 0.00 0.00 33.84 32.59 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 -2.14 1.46 -0.04 3.34 0.11 -1.26 -4.97 120.40 116.90 1x5l s VAL 16 Ca 0.30 -1.28 -0.01 0.00 -2.93 0.00 0.00 61.98 58.05 1x5l s VAL 16 Cb 0.23 -1.80 0.03 0.00 -1.53 0.00 0.00 36.38 33.31 1x5l s VAL 16 CO 0.08 -0.21 0.06 -0.63 -3.33 0.00 0.00 175.10 171.07 1x5l s ILE 17 N 1.41 -0.10 0.24 7.04 1.01 -1.26 -3.98 121.20 125.56 1x5l s ILE 17 Ca -0.03 0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1x5l s ILE 17 Cb -0.19 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1x5l s ILE 17 CO -0.08 0.14 0.13 0.00 0.00 0.00 0.00 174.94 175.13 1x5l s ARG 18 N 1.76 1.34 -0.15 2.79 1.70 0.11 -4.97 118.95 121.53 1x5l s ARG 18 Ca -0.00 -1.72 -0.03 0.00 -0.47 0.00 0.00 55.73 53.50 1x5l s ARG 18 Cb -0.12 0.04 -0.03 0.00 -0.57 0.00 0.00 34.95 34.27 1x5l s ARG 18 CO -0.03 -0.37 -0.05 -1.14 -1.08 0.00 0.00 175.30 172.62 1x5l s GLN 19 N -4.05 3.62 -0.14 3.89 0.74 -1.26 0.35 119.66 122.80 1x5l s GLN 19 Ca 0.38 -0.54 -0.10 0.00 0.05 0.00 0.00 55.36 55.15 1x5l s GLN 19 Cb 0.07 -2.86 -0.25 0.00 1.10 0.00 0.00 33.01 31.07 1x5l s GLN 19 CO 0.14 0.25 0.34 0.39 -0.55 0.00 0.00 175.29 175.85 1x5l n GLU 20 N 3.50 0.72 -3.65 1.67 1.02 -1.19 -4.93 120.64 117.77 1x5l n GLU 20 Ca -0.17 0.32 -0.08 0.00 -0.02 0.00 0.00 57.16 57.21 1x5l n GLU 20 Cb 0.53 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 1x5l n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1x5l s ARG 21 N -2.52 0.62 -0.20 3.49 0.52 -1.26 -5.04 118.95 114.56 1x5l s ARG 21 Ca -0.24 1.13 -0.08 0.00 -0.52 0.00 0.00 55.73 56.02 1x5l s ARG 21 Cb 0.06 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 1x5l s ARG 21 CO 0.74 -0.16 0.08 0.00 0.02 0.00 0.00 175.30 175.98 1x5l s ALA 22 N 1.65 3.46 0.54 2.13 0.00 -1.26 -0.55 121.76 127.72 1x5l s ALA 22 Ca -0.10 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1x5l s ALA 22 Cb -0.06 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.08 1x5l s ALA 22 CO -0.18 0.10 0.37 0.20 0.00 0.00 0.00 175.76 176.25 1x5l s GLY 23 N 0.52 2.41 -0.03 0.00 0.00 0.73 -4.92 107.32 106.01 1x5l s GLY 23 Ca 0.04 -1.24 -0.26 0.00 0.00 0.00 0.00 44.72 43.26 1x5l s GLY 23 CO 0.01 -1.95 1.20 -1.61 0.00 0.00 0.00 173.10 170.74 1x5l h GLN 24 N 0.81 0.03 -0.15 2.90 4.15 -1.94 -3.06 115.11 117.85 1x5l h GLN 24 Ca -0.37 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.03 1x5l h GLN 24 Cb 1.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1x5l h GLN 24 CO 0.59 0.59 0.00 0.25 -1.93 0.00 0.00 178.83 178.33 1x5l n THR 25 N -4.79 0.89 -4.12 2.39 -2.24 -1.26 -3.70 114.28 101.44 1x5l n THR 25 Ca -0.09 -0.95 -0.10 0.00 -2.27 0.00 0.00 64.05 60.65 1x5l n THR 25 Cb 0.30 0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.94 0.23 -0.20 3.42 1.04 -1.26 -0.84 113.70 115.16 1x5l s SER 26 Ca 0.11 -1.17 -0.12 0.00 0.48 0.00 0.00 55.95 55.25 1x5l s SER 26 Cb 0.06 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.58 1x5l s SER 26 CO 0.08 -0.78 0.48 -0.69 0.98 0.00 0.00 173.24 173.30 1x5l s VAL 27 N -4.05 -0.02 -0.02 5.02 1.01 -0.93 -0.20 120.40 121.22 1x5l s VAL 27 Ca 0.25 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 1x5l s VAL 27 Cb 0.06 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1x5l s VAL 27 CO 0.03 0.02 0.31 -0.55 0.00 0.00 0.00 175.10 174.91 1x5l s SER 28 N 1.30 6.61 0.36 3.32 0.15 0.29 -0.86 113.70 124.87 1x5l s SER 28 Ca -0.08 0.73 0.08 0.00 0.70 0.00 0.00 55.95 57.38 1x5l s SER 28 Cb -0.07 -2.16 -0.05 0.00 -1.71 0.00 0.00 66.02 62.03 1x5l s SER 28 CO -0.13 0.31 0.06 -0.76 1.20 0.00 0.00 173.24 173.93 1x5l s LEU 29 N -1.31 3.03 -0.21 3.45 1.43 0.48 -3.20 118.68 122.34 1x5l s LEU 29 Ca 0.23 -1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.26 1x5l s LEU 29 Cb -0.14 -1.37 0.11 0.00 0.03 0.00 0.00 46.19 44.81 1x5l s LEU 29 CO 0.12 -0.32 0.41 -0.22 0.23 0.00 0.00 176.35 176.57 1x5l s LEU 30 N -3.77 -0.66 -0.08 1.79 2.96 0.15 -3.77 118.68 115.30 1x5l s LEU 30 Ca 0.36 0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 55.00 1x5l s LEU 30 Cb 0.01 1.30 0.04 0.00 0.50 0.00 0.00 46.19 48.05 1x5l s LEU 30 CO 0.20 -0.25 0.18 -1.66 -1.32 0.00 0.00 176.35 173.50 1x5l s TRP 31 N 2.60 -0.22 0.50 5.38 -2.14 -1.11 0.10 118.94 124.04 1x5l s TRP 31 Ca 0.03 0.60 -0.01 0.00 2.66 0.00 0.00 56.10 59.38 1x5l s TRP 31 Cb -0.13 -0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.18 1x5l s TRP 31 CO -0.14 -0.20 0.75 1.14 -2.66 0.00 0.00 176.95 175.84 1x5l s GLN 32 N 1.35 2.97 0.52 3.25 -2.07 -1.26 -4.66 119.66 119.76 1x5l s GLN 32 Ca -0.08 -0.37 -0.20 0.00 -1.82 0.00 0.00 55.36 52.89 1x5l s GLN 32 Cb -0.11 -2.46 -0.08 0.00 -1.09 0.00 0.00 33.01 29.26 1x5l s GLN 32 CO -0.07 -0.45 0.83 0.39 -1.32 0.00 0.00 175.29 174.67 1x5l n GLU 33 N -2.26 0.91 -1.11 9.60 4.71 -1.26 -4.83 120.64 126.40 1x5l n GLU 33 Ca 0.03 0.34 -0.29 0.00 -0.01 0.00 0.00 57.16 57.22 1x5l n GLU 33 Cb 0.58 -1.95 0.22 0.00 -1.01 0.00 0.00 31.44 29.27 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 -2.26 -0.65 0.16 3.49 0.04 -1.26 -4.96 135.00 129.56 1x5l s PRO 34 Ca 0.69 0.14 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 1x5l s PRO 34 Cb -0.48 -1.64 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1x5l s PRO 34 CO 0.53 -3.37 1.79 0.93 0.04 0.00 0.00 177.00 176.92 1x5l h GLU 35 N -2.34 0.60 -2.13 4.56 5.08 -1.88 -3.40 114.58 115.07 1x5l h GLU 35 Ca -0.49 -0.05 -0.30 0.00 -1.00 0.00 0.00 59.36 57.52 1x5l h GLU 35 Cb 1.31 -0.13 -0.33 0.00 0.50 0.00 0.00 28.75 30.10 1x5l h GLU 35 CO 0.43 0.44 -0.61 -0.65 -1.00 0.00 0.00 179.01 177.62 1x5l s GLN 36 N -6.02 0.32 0.54 2.33 -0.21 -1.26 -5.00 119.66 110.36 1x5l s GLN 36 Ca -0.13 -0.02 0.34 0.00 0.02 0.00 0.00 55.36 55.56 1x5l s GLN 36 Cb 0.11 -0.67 1.40 0.00 1.00 0.00 0.00 33.01 34.85 1x5l s GLN 36 CO 0.74 -0.96 1.99 -1.00 -2.12 0.00 0.00 175.29 173.94 1x5l h PRO 37 N 8.25 0.00 -6.06 2.91 0.13 -1.89 0.25 132.00 135.58 1x5l h PRO 37 Ca -0.14 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.56 1x5l h PRO 37 Cb 1.09 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.28 1x5l h PRO 37 CO 0.32 0.00 -0.75 0.09 -0.23 0.00 0.00 178.00 177.43 1x5l n ASN 38 N -3.04 -4.34 0.00 1.44 3.02 -1.26 -3.96 115.26 107.11 1x5l n ASN 38 Ca 0.00 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1x5l n ASN 38 Cb 0.29 -4.39 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 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 -1.71 0.62 3.71 7.41 0.00 -1.26 -4.79 105.19 109.17 1x5l n GLY 39 Ca -0.06 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.82 4.91 -0.24 -0.61 1.09 -1.26 -5.03 121.20 119.24 1x5l s ILE 40 Ca 0.00 1.88 -0.18 0.00 -1.10 0.00 0.00 60.65 61.25 1x5l s ILE 40 Cb 0.00 -4.24 -0.03 0.00 -1.06 0.00 0.00 42.46 37.13 1x5l s ILE 40 CO 0.00 0.17 0.49 -0.63 -0.10 0.00 0.00 174.94 174.87 1x5l s ILE 41 N 1.08 5.10 0.07 2.92 1.01 -1.26 -4.34 121.20 125.78 1x5l s ILE 41 Ca 0.47 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.69 1x5l s ILE 41 Cb -0.20 -3.81 -0.14 0.00 0.01 0.00 0.00 42.46 38.32 1x5l s ILE 41 CO 0.24 0.13 1.45 -0.07 0.00 0.00 0.00 174.94 176.69 1x5l h LEU 42 N 8.42 -1.15 -7.49 2.97 3.38 -1.40 -3.47 115.31 116.56 1x5l h LEU 42 Ca -0.31 0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1x5l h LEU 42 Cb 1.15 0.39 -0.09 0.00 0.09 0.00 0.00 40.66 42.20 1x5l h LEU 42 CO 0.72 -0.53 0.21 -1.83 0.09 0.00 0.00 178.44 177.10 1x5l s GLU 43 N -5.29 1.52 -0.28 1.13 -1.05 -1.26 -4.96 118.70 108.51 1x5l s GLU 43 Ca -0.14 -0.73 -0.09 0.00 -0.15 0.00 0.00 54.97 53.87 1x5l s GLU 43 Cb 0.04 0.60 -0.02 0.00 -0.44 0.00 0.00 34.13 34.31 1x5l s GLU 43 CO 0.49 -0.68 0.12 0.71 0.95 0.00 0.00 175.26 176.84 1x5l s TYR 44 N -3.83 3.14 0.43 4.83 2.02 0.94 -3.26 117.35 121.63 1x5l s TYR 44 Ca 0.06 -0.51 -0.09 0.00 -0.37 0.00 0.00 57.07 56.17 1x5l s TYR 44 Cb -0.03 -2.30 -0.05 0.00 -0.40 0.00 0.00 41.96 39.17 1x5l s TYR 44 CO -0.03 -0.41 0.78 -1.21 -1.57 0.00 0.00 175.55 173.11 1x5l s GLU 45 N 1.61 3.70 -0.05 -0.62 0.41 -0.91 -0.01 118.70 122.83 1x5l s GLU 45 Ca 0.05 0.39 0.00 0.00 -0.41 0.00 0.00 54.97 55.01 1x5l s GLU 45 Cb -0.16 -2.38 0.02 0.00 -1.78 0.00 0.00 34.13 29.84 1x5l s GLU 45 CO 0.05 -0.11 -0.02 0.42 -0.49 0.00 0.00 175.26 175.12 1x5l s ILE 46 N -2.51 0.41 -0.30 -1.63 1.01 0.18 -2.16 121.20 116.21 1x5l s ILE 46 Ca 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 61.06 1x5l s ILE 46 Cb -0.10 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 1x5l s ILE 46 CO 0.36 0.22 0.16 -0.75 0.00 0.00 0.00 174.94 174.93 1x5l s LYS 47 N 1.30 3.55 -0.06 2.79 2.20 0.47 0.37 119.74 130.36 1x5l s LYS 47 Ca -0.05 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.00 1x5l s LYS 47 Cb -0.13 -3.57 0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1x5l s LYS 47 CO -0.02 -0.33 -0.10 1.52 -0.36 0.00 0.00 175.35 176.06 1x5l s TYR 48 N 1.66 1.27 0.09 4.03 1.13 -0.68 -1.24 117.35 123.61 1x5l s TYR 48 Ca 0.06 -0.45 -0.16 0.00 -1.41 0.00 0.00 57.07 55.10 1x5l s TYR 48 Cb -0.16 -0.97 0.03 0.00 -1.10 0.00 0.00 41.96 39.76 1x5l s TYR 48 CO 0.07 -0.26 0.39 1.52 -2.51 0.00 0.00 175.55 174.77 1x5l s TYR 49 N 0.75 -0.21 -0.06 -3.49 -0.85 -1.14 -3.58 117.35 108.77 1x5l s TYR 49 Ca -0.13 0.00 -0.32 0.00 -0.52 0.00 0.00 57.07 56.10 1x5l s TYR 49 Cb -0.15 0.22 -0.10 0.00 0.38 0.00 0.00 41.96 42.31 1x5l s TYR 49 CO 0.03 -0.64 1.97 0.39 -1.52 0.00 0.00 175.55 175.77 1x5l n GLU 50 N 0.09 2.41 -0.24 -3.49 1.02 -1.26 -1.72 120.64 117.46 1x5l n GLU 50 Ca -0.17 0.86 -0.03 0.00 -0.02 0.00 0.00 57.16 57.80 1x5l n GLU 50 Cb 0.62 -2.85 0.14 0.00 -0.02 0.00 0.00 31.44 29.33 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 10.45 1.06 -0.31 3.49 1.63 -1.30 -1.26 116.57 130.33 1x5l h LYS 51 Ca -0.48 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.16 1x5l h LYS 51 Cb 1.26 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1x5l h LYS 51 CO 0.95 0.84 0.00 -0.40 -3.45 0.00 0.00 179.45 177.39 1x5l n ASP 52 N -4.31 1.48 -3.31 4.20 5.68 -1.26 -4.88 116.55 114.15 1x5l n ASP 52 Ca 0.07 -2.03 -0.15 0.00 -0.50 0.00 0.00 54.79 52.18 1x5l n ASP 52 Cb 0.16 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 39.89 1x5l n ASP 52 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1x5l s LYS 53 N -1.65 1.87 -0.29 0.11 -0.14 -0.48 -5.16 119.74 114.00 1x5l s LYS 53 Ca 0.17 -1.75 -0.01 0.00 -1.36 0.00 0.00 55.97 53.03 1x5l s LYS 53 Cb 0.09 0.43 0.18 0.00 -1.68 0.00 0.00 37.83 36.85 1x5l s LYS 53 CO 0.11 -0.77 0.55 -1.21 -0.76 0.00 0.00 175.35 173.27 1x5l s GLU 54 N -3.15 0.52 -0.06 1.68 2.02 -1.26 -4.50 118.70 113.96 1x5l s GLU 54 Ca 0.31 0.88 -0.16 0.00 0.02 0.00 0.00 54.97 56.01 1x5l s GLU 54 Cb -0.00 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.48 1x5l s GLU 54 CO 0.20 -0.65 0.43 -1.64 0.02 0.00 0.00 175.26 173.62 1x5l s MET 55 N 2.79 4.13 0.40 1.61 -1.94 -1.26 -4.96 119.30 120.07 1x5l s MET 55 Ca 0.19 0.41 0.24 0.00 -1.71 0.00 0.00 55.69 54.82 1x5l s MET 55 Cb -0.15 -3.33 1.33 0.00 2.01 0.00 0.00 34.83 34.69 1x5l s MET 55 CO -0.20 0.44 1.62 1.96 -0.01 0.00 0.00 175.02 178.83 1x5l h GLN 56 N 5.67 0.11 -4.70 2.03 1.08 -2.06 -3.22 115.11 114.02 1x5l h GLN 56 Ca -0.46 -0.01 -0.67 0.00 -1.45 0.00 0.00 58.65 56.06 1x5l h GLN 56 Cb 1.20 -0.02 -0.39 0.00 -0.05 0.00 0.00 27.48 28.22 1x5l h GLN 56 CO 0.68 0.07 -0.72 0.45 -0.95 0.00 0.00 178.83 178.37 1x5l s SER 57 N -4.59 4.77 0.71 1.46 0.15 -1.26 -5.11 113.70 109.83 1x5l s SER 57 Ca -0.09 -1.97 -0.15 0.00 0.70 0.00 0.00 55.95 54.45 1x5l s SER 57 Cb 0.31 -1.64 0.03 0.00 -1.71 0.00 0.00 66.02 63.01 1x5l s SER 57 CO 0.80 -0.36 1.16 -0.72 1.20 0.00 0.00 173.24 175.32 1x5l s TYR 58 N 0.98 2.30 -0.18 3.44 1.13 -1.22 -5.00 117.35 118.79 1x5l s TYR 58 Ca 0.06 1.59 -0.15 0.00 -1.41 0.00 0.00 57.07 57.16 1x5l s TYR 58 Cb -0.20 -3.32 -0.04 0.00 -1.10 0.00 0.00 41.96 37.30 1x5l s TYR 58 CO -0.07 -2.18 0.36 -1.12 -2.51 0.00 0.00 175.55 170.02 1x5l s SER 59 N -2.34 6.44 0.10 -0.18 0.01 -1.23 -5.02 113.70 111.47 1x5l s SER 59 Ca 0.70 0.51 0.08 0.00 1.31 0.00 0.00 55.95 58.55 1x5l s SER 59 Cb -0.25 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1x5l s SER 59 CO 0.44 -0.00 -0.15 -0.89 0.41 0.00 0.00 173.24 173.05 1x5l s THR 60 N 0.96 3.05 -0.06 1.44 2.01 -1.26 -1.68 115.64 120.09 1x5l s THR 60 Ca 0.18 -1.35 0.03 0.00 0.31 0.00 0.00 61.69 60.86 1x5l s THR 60 Cb -0.14 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 69.99 1x5l s THR 60 CO 0.07 0.15 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.79 1x5l s LEU 61 N -2.03 1.73 -0.12 4.42 2.96 0.16 -4.92 118.68 120.88 1x5l s LEU 61 Ca 0.19 -0.33 -0.20 0.00 -0.22 0.00 0.00 54.13 53.57 1x5l s LEU 61 Cb -0.11 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 1x5l s LEU 61 CO 0.10 0.06 0.56 -0.54 -1.32 0.00 0.00 176.35 175.21 1x5l s LYS 62 N 0.54 4.33 -0.07 1.98 3.01 -1.26 0.51 119.74 128.79 1x5l s LYS 62 Ca -0.14 0.58 0.03 0.00 -1.01 0.00 0.00 55.97 55.43 1x5l s LYS 62 Cb -0.15 -3.47 0.01 0.00 -1.01 0.00 0.00 37.83 33.20 1x5l s LYS 62 CO 0.04 0.05 -0.16 0.00 0.51 0.00 0.00 175.35 175.79 1x5l s ALA 63 N 0.93 1.53 -0.04 5.17 0.00 0.98 -4.99 121.76 125.35 1x5l s ALA 63 Ca 0.29 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1x5l s ALA 63 Cb -0.16 -0.60 -0.24 0.00 0.00 0.00 0.00 23.12 22.12 1x5l s ALA 63 CO 0.12 0.20 0.69 -0.39 0.00 0.00 0.00 175.76 176.38 1x5l h VAL 64 N 5.69 0.92 -1.90 0.00 -1.51 -1.93 0.27 116.25 117.79 1x5l h VAL 64 Ca -0.29 -2.71 -0.43 0.00 -1.23 0.00 0.00 66.70 62.04 1x5l h VAL 64 Cb 1.19 2.52 0.03 0.00 -2.13 0.00 0.00 31.29 32.90 1x5l h VAL 64 CO 0.47 0.65 -0.20 0.28 -1.23 0.00 0.00 177.57 177.55 1x5l s THR 65 N -2.60 3.17 -1.70 7.19 -1.32 -1.26 -4.78 115.64 114.33 1x5l s THR 65 Ca -0.08 -0.87 0.00 0.00 -1.21 0.00 0.00 61.69 59.53 1x5l s THR 65 Cb 0.08 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.96 1x5l s THR 65 CO 0.82 -0.05 0.85 0.35 -2.21 0.00 0.00 174.62 174.37 1x5l n THR 66 N -1.97 0.00 -3.62 5.08 -2.24 -1.26 -4.62 114.28 105.65 1x5l n THR 66 Ca 0.06 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 1x5l n THR 66 Cb 0.59 -0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.70 0.16 0.19 -0.78 0.52 -1.26 -2.75 118.95 113.32 1x5l s ARG 67 Ca 0.00 0.66 0.01 0.00 -0.52 0.00 0.00 55.73 55.88 1x5l s ARG 67 Cb 0.00 -0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.20 1x5l s ARG 67 CO 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 175.30 175.00 1x5l s ALA 68 N 2.41 1.36 -0.21 2.13 0.00 -1.25 -4.98 121.76 121.23 1x5l s ALA 68 Ca 0.03 -1.64 -0.02 0.00 0.00 0.00 0.00 51.96 50.32 1x5l s ALA 68 Cb -0.13 0.72 0.07 0.00 0.00 0.00 0.00 23.12 23.78 1x5l s ALA 68 CO -0.09 -0.38 0.04 0.99 0.00 0.00 0.00 175.76 176.32 1x5l s THR 69 N -3.74 0.62 -0.47 0.00 2.01 -1.26 -0.39 115.64 112.41 1x5l s THR 69 Ca 0.27 -0.72 -0.28 0.00 0.31 0.00 0.00 61.69 61.27 1x5l s THR 69 Cb 0.07 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 1x5l s THR 69 CO 0.06 -0.28 1.61 -0.69 -0.69 0.00 0.00 174.62 174.63 1x5l s VAL 70 N 1.80 3.64 0.25 3.82 1.01 -0.04 -4.85 120.40 126.04 1x5l s VAL 70 Ca 0.00 0.59 0.06 0.00 0.00 0.00 0.00 61.98 62.63 1x5l s VAL 70 Cb -0.17 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1x5l s VAL 70 CO -0.11 -0.81 0.30 -0.55 0.00 0.00 0.00 175.10 173.93 1x5l s SER 71 N 5.49 5.94 0.00 3.32 0.15 -1.26 -2.19 113.70 125.15 1x5l s SER 71 Ca 0.65 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1x5l s SER 71 Cb -0.15 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1x5l s SER 71 CO 0.28 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1x5l n GLY 72 N -1.33 0.86 3.79 9.45 0.00 -1.14 -5.02 105.19 111.80 1x5l n GLY 72 Ca -0.08 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.57 2.84 -0.04 0.99 1.43 -0.02 -5.06 118.68 118.26 1x5l s LEU 73 Ca 0.00 -1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 51.85 1x5l s LEU 73 Cb 0.00 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1x5l s LEU 73 CO 0.00 -0.76 0.07 -0.54 0.23 0.00 0.00 176.35 175.35 1x5l s LYS 74 N -4.01 3.09 0.79 1.70 1.02 -1.26 -4.61 119.74 116.47 1x5l s LYS 74 Ca 0.32 -0.42 -0.11 0.00 0.02 0.00 0.00 55.97 55.79 1x5l s LYS 74 Cb 0.02 -2.89 0.07 0.00 -0.52 0.00 0.00 37.83 34.51 1x5l s LYS 74 CO 0.18 0.68 1.09 -1.25 -0.92 0.00 0.00 175.35 175.13 1x5l s PRO 75 N -1.44 2.13 -1.38 -1.68 0.04 -1.24 -3.92 135.00 127.52 1x5l s PRO 75 Ca 0.19 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 1x5l s PRO 75 Cb -0.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1x5l s PRO 75 CO 0.10 -1.72 0.41 0.41 0.04 0.00 0.00 177.00 176.23 1x5l n GLY 76 N -1.20 -0.39 3.12 0.56 0.00 -1.13 -4.78 105.19 101.38 1x5l n GLY 76 Ca 0.09 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.94 -0.77 0.34 2.61 2.01 -1.25 -4.98 115.64 109.66 1x5l s THR 77 Ca 0.13 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.85 1x5l s THR 77 Cb -0.06 -0.86 -0.12 0.00 0.01 0.00 0.00 72.50 71.47 1x5l s THR 77 CO 0.92 -0.04 1.37 0.54 -0.69 0.00 0.00 174.62 176.72 1x5l n ARG 78 N 5.40 2.30 -4.43 4.92 1.74 -1.26 -4.03 116.66 121.29 1x5l n ARG 78 Ca -0.04 0.81 -0.24 0.00 -0.77 0.00 0.00 57.85 57.60 1x5l n ARG 78 Cb 0.50 -2.44 -0.17 0.00 -1.02 0.00 0.00 32.46 29.33 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 -0.97 1.32 -0.34 -1.55 2.02 0.86 -0.79 117.35 117.90 1x5l s TYR 79 Ca 0.56 -0.50 -0.20 0.00 -0.37 0.00 0.00 57.07 56.57 1x5l s TYR 79 Cb -0.55 -1.01 -0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1x5l s TYR 79 CO 0.61 -0.29 0.61 0.08 -1.57 0.00 0.00 175.55 175.00 1x5l s VAL 80 N 0.83 4.92 0.09 0.71 1.01 -0.70 -2.39 120.40 124.87 1x5l s VAL 80 Ca -0.12 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1x5l s VAL 80 Cb -0.15 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1x5l s VAL 80 CO 0.02 -0.26 0.16 -0.36 0.00 0.00 0.00 175.10 174.67 1x5l s PHE 81 N 2.63 3.36 -0.27 5.22 0.40 -1.03 -2.88 117.98 125.40 1x5l s PHE 81 Ca 0.23 0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.67 1x5l s PHE 81 Cb -0.15 -1.68 0.15 0.00 0.51 0.00 0.00 43.02 41.86 1x5l s PHE 81 CO 0.14 0.55 0.53 -0.65 0.70 0.00 0.00 175.22 176.49 1x5l s GLN 82 N -2.60 0.49 0.17 0.44 -0.21 -0.37 -2.81 119.66 114.76 1x5l s GLN 82 Ca 0.32 0.98 0.01 0.00 0.02 0.00 0.00 55.36 56.69 1x5l s GLN 82 Cb -0.12 0.34 -0.04 0.00 1.00 0.00 0.00 33.01 34.19 1x5l s GLN 82 CO 0.25 -0.50 0.33 0.08 -2.12 0.00 0.00 175.29 173.33 1x5l s VAL 83 N 2.76 5.27 0.10 1.09 1.01 -1.26 -0.40 120.40 128.97 1x5l s VAL 83 Ca 0.11 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1x5l s VAL 83 Cb -0.14 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.57 1x5l s VAL 83 CO -0.18 -0.11 0.53 0.00 0.00 0.00 0.00 175.10 175.34 1x5l s ARG 84 N -3.21 1.13 0.11 2.72 1.70 -0.92 -1.60 118.95 118.89 1x5l s ARG 84 Ca 0.37 -0.39 0.03 0.00 -0.47 0.00 0.00 55.73 55.26 1x5l s ARG 84 Cb -0.11 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1x5l s ARG 84 CO 0.29 -0.45 0.15 0.00 -1.08 0.00 0.00 175.30 174.21 1x5l s ALA 85 N -3.13 3.70 -0.01 7.88 0.00 -1.26 -2.15 121.76 126.79 1x5l s ALA 85 Ca -0.02 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1x5l s ALA 85 Cb -0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1x5l s ALA 85 CO -0.07 0.67 -0.04 0.50 0.00 0.00 0.00 175.76 176.81 1x5l s ARG 86 N -2.72 0.46 0.32 0.00 6.06 -1.20 -3.15 118.95 118.71 1x5l s ARG 86 Ca 0.31 -0.14 0.06 0.00 -2.50 0.00 0.00 55.73 53.47 1x5l s ARG 86 Cb -0.12 -0.47 -0.06 0.00 0.06 0.00 0.00 34.95 34.36 1x5l s ARG 86 CO 0.24 0.05 -0.03 0.95 -2.50 0.00 0.00 175.30 174.02 1x5l s THR 87 N 0.17 1.69 0.31 4.11 -4.23 -0.70 -0.96 115.64 116.03 1x5l s THR 87 Ca -0.02 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1x5l s THR 87 Cb -0.05 -2.65 0.17 0.00 1.34 0.00 0.00 72.50 71.31 1x5l s THR 87 CO -0.00 -0.17 1.87 0.77 -0.54 0.00 0.00 174.62 176.54 1x5l h SER 88 N 2.12 0.67 0.44 3.99 4.64 -1.97 -3.11 113.55 120.33 1x5l h SER 88 Ca -0.41 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 1x5l h SER 88 Cb 1.24 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1x5l h SER 88 CO 0.70 0.66 -0.21 0.00 -0.87 0.00 0.00 176.83 177.11 1x5l h ALA 89 N 1.43 -0.59 -3.00 5.18 0.00 -1.93 -3.49 119.26 116.87 1x5l h ALA 89 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x5l h ALA 89 Cb 0.26 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1x5l h ALA 89 CO -0.00 -0.70 0.00 0.41 0.00 0.00 0.00 179.25 178.95 1x5l n GLY 90 N -0.64 3.41 3.18 0.00 0.00 -1.17 -4.89 105.19 105.08 1x5l n GLY 90 Ca -0.11 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 1.01 0.67 3.29 0.00 0.00 -1.19 -4.67 105.19 104.30 1x5l n GLY 92 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 2.17 1.27 0.04 1.61 1.81 -1.26 -5.04 118.95 119.55 1x5l s ARG 93 Ca 0.00 -1.53 -0.25 0.00 -1.72 0.00 0.00 55.73 52.23 1x5l s ARG 93 Cb 0.00 0.32 -0.05 0.00 -0.45 0.00 0.00 34.95 34.76 1x5l s ARG 93 CO 0.00 -0.44 0.77 -0.06 -0.68 0.00 0.00 175.30 174.89 1x5l s PHE 94 N -4.12 3.73 1.24 -0.53 0.08 -1.26 -4.50 117.98 112.62 1x5l s PHE 94 Ca 0.34 1.48 -0.15 0.00 0.12 0.00 0.00 56.93 58.72 1x5l s PHE 94 Cb 0.05 -2.83 0.31 0.00 -0.57 0.00 0.00 43.02 39.98 1x5l s PHE 94 CO 0.11 0.26 1.00 0.45 -0.10 0.00 0.00 175.22 176.94 1x5l s SER 95 N -0.02 0.42 0.32 1.36 0.15 -0.62 -4.89 113.70 110.42 1x5l s SER 95 Ca 0.39 1.30 -0.27 0.00 0.70 0.00 0.00 55.95 58.06 1x5l s SER 95 Cb -0.20 -1.98 -0.13 0.00 -1.71 0.00 0.00 66.02 61.99 1x5l s SER 95 CO 0.23 -4.51 1.10 0.00 1.20 0.00 0.00 173.24 171.26 1x5l n GLN 96 N -5.11 1.60 -1.87 5.44 6.02 -1.26 -4.79 117.38 117.41 1x5l n GLN 96 Ca 0.05 0.56 -0.43 0.00 -0.01 0.00 0.00 57.00 57.18 1x5l n GLN 96 Cb 0.56 -2.02 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 1x5l n GLN 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x5l s ALA 97 N -1.10 3.30 -0.02 -1.58 0.00 -1.26 -4.83 121.76 116.28 1x5l s ALA 97 Ca 0.58 0.84 -0.02 0.00 0.00 0.00 0.00 51.96 53.36 1x5l s ALA 97 Cb -0.64 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 18.56 1x5l s ALA 97 CO 0.60 -1.93 0.13 1.41 0.00 0.00 0.00 175.76 175.98 1x5l s MET 98 N 4.85 3.26 -0.17 0.00 1.75 -1.12 -5.00 119.30 122.87 1x5l s MET 98 Ca 0.82 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.87 1x5l s MET 98 Cb -0.33 -2.99 -0.01 0.00 2.84 0.00 0.00 34.83 34.34 1x5l s MET 98 CO 0.34 0.67 -0.10 -1.21 -0.65 0.00 0.00 175.02 174.07 1x5l s GLU 99 N -1.74 3.36 -0.02 4.11 2.02 -1.26 -2.47 118.70 122.70 1x5l s GLU 99 Ca 0.24 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.56 1x5l s GLU 99 Cb -0.12 -2.77 0.03 0.00 0.10 0.00 0.00 34.13 31.36 1x5l s GLU 99 CO 0.15 0.03 0.03 0.08 0.02 0.00 0.00 175.26 175.57 1x5l s VAL 100 N 0.84 -0.05 0.02 2.63 1.01 -1.01 -4.99 120.40 118.86 1x5l s VAL 100 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1x5l s VAL 100 Cb -0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1x5l s VAL 100 CO 0.01 0.07 0.10 -0.70 0.00 0.00 0.00 175.10 174.58 1x5l s GLU 101 N 0.90 3.07 0.41 2.72 2.12 -1.26 -0.10 118.70 126.57 1x5l s GLU 101 Ca -0.07 -0.53 0.05 0.00 0.36 0.00 0.00 54.97 54.78 1x5l s GLU 101 Cb -0.11 -2.85 0.00 0.00 0.26 0.00 0.00 34.13 31.43 1x5l s GLU 101 CO -0.03 0.62 0.58 0.95 -0.54 0.00 0.00 175.26 176.85 1x5l s THR 102 N -1.29 3.55 0.09 -1.70 -4.23 -1.26 -4.95 115.64 105.86 1x5l s THR 102 Ca 0.26 -0.86 -0.31 0.00 -1.18 0.00 0.00 61.69 59.60 1x5l s THR 102 Cb -0.12 -3.25 -0.08 0.00 1.34 0.00 0.00 72.50 70.39 1x5l s THR 102 CO 0.18 -0.12 1.52 -0.83 -0.54 0.00 0.00 174.62 174.83 1x5l s GLY 103 N -4.27 1.71 0.79 3.99 0.00 -1.16 -3.36 107.32 105.02 1x5l s GLY 103 Ca 0.50 1.17 -0.14 0.00 0.00 0.00 0.00 44.72 46.25 1x5l s GLY 103 CO 0.34 2.63 1.16 0.28 0.00 0.00 0.00 173.10 177.51 1x5l n LYS 104 N 4.76 0.26 0.00 2.90 4.01 -1.26 -2.85 118.16 125.99 1x5l n LYS 104 Ca 0.14 0.16 0.06 0.00 -0.51 0.00 0.00 58.31 58.16 1x5l n LYS 104 Cb 0.41 -2.41 0.34 0.00 -0.51 0.00 0.00 35.03 32.86 1x5l n LYS 104 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1x5l n PRO 105 N -3.00 0.49 -4.57 1.97 -0.04 -1.26 -4.69 135.00 123.90 1x5l n PRO 105 Ca 0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 1x5l n PRO 105 Cb 0.50 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.48 1x5l n PRO 105 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5l s SER 106 N -1.86 4.03 0.21 3.54 0.15 -1.26 -5.14 113.70 113.37 1x5l s SER 106 Ca 0.17 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.47 1x5l s SER 106 Cb 0.08 -0.73 0.01 0.00 -1.71 0.00 0.00 66.02 63.67 1x5l s SER 106 CO 0.13 0.25 0.11 0.61 1.20 0.00 0.00 173.24 175.54 1x5l n GLY 107 N 1.46 3.27 3.55 9.45 0.00 -1.26 -5.05 105.19 116.61 1x5l n GLY 107 Ca -0.16 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.24 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 -2.84 2.68 0.27 1.61 0.04 -1.26 -4.86 135.00 130.64 1x5l s PRO 108 Ca 0.08 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 1x5l s PRO 108 Cb -0.01 -4.37 0.59 0.00 0.04 0.00 0.00 34.50 30.75 1x5l s PRO 108 CO 0.05 -2.67 1.63 0.66 0.04 0.00 0.00 177.00 176.71 1x5l h SER 109 N 14.81 -0.20 -5.91 6.66 4.64 -2.06 -3.44 113.55 128.05 1x5l h SER 109 Ca -0.26 0.20 -0.40 0.00 -0.47 0.00 0.00 61.79 60.86 1x5l h SER 109 Cb 1.16 0.32 0.11 0.00 -0.31 0.00 0.00 62.40 63.69 1x5l h SER 109 CO 1.21 -0.18 -0.71 -1.20 -0.87 0.00 0.00 176.83 175.07 1x5l n SER 110 N -5.30 -5.20 0.00 4.97 7.64 -1.26 -5.34 113.62 109.13 1x5l n SER 110 Ca 0.18 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.46 1x5l n SER 110 Cb 0.60 -4.81 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 1x5l n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64