#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 0.14 0.07 1.61 0.87 -2.12 -3.41 113.55 110.70 1x5l h SER 2 Ca 0.00 -0.67 -0.31 0.00 -1.23 0.00 0.00 61.79 59.59 1x5l h SER 2 Cb 0.00 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1x5l h SER 2 CO 0.00 1.58 -1.66 -1.20 -0.53 0.00 0.00 176.83 175.01 1x5l n SER 3 N -4.16 2.00 0.00 6.23 7.64 -1.26 -5.10 113.62 118.97 1x5l n SER 3 Ca -0.31 0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1x5l n SER 3 Cb 0.79 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1x5l n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5l n GLY 4 N 1.72 3.01 3.84 0.23 0.00 -1.26 -5.08 105.19 107.65 1x5l n GLY 4 Ca -0.32 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 1x5l n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5l s SER 5 N 0.00 6.61 -0.14 1.61 0.01 -1.26 -5.08 113.70 115.44 1x5l s SER 5 Ca 0.00 0.73 -0.10 0.00 1.31 0.00 0.00 55.95 57.89 1x5l s SER 5 Cb 0.00 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 1x5l s SER 5 CO 0.00 0.34 0.18 -0.94 0.41 0.00 0.00 173.24 173.23 1x5l s SER 6 N -0.90 6.37 0.00 2.44 1.04 -1.26 -5.06 113.70 116.33 1x5l s SER 6 Ca 0.20 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1x5l s SER 6 Cb -0.14 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1x5l s SER 6 CO 0.09 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1x5l n GLY 7 N 2.69 -1.63 3.41 7.32 0.00 -1.26 -4.87 105.19 110.85 1x5l n GLY 7 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 1.48 0.23 1.61 -0.21 -1.26 -5.11 119.66 116.40 1x5l s GLN 8 Ca 0.00 -1.48 -0.30 0.00 0.02 0.00 0.00 55.36 53.60 1x5l s GLN 8 Cb 0.00 -1.85 -0.09 0.00 1.00 0.00 0.00 33.01 32.06 1x5l s GLN 8 CO 0.00 0.41 1.34 0.00 -2.12 0.00 0.00 175.29 174.92 1x5l s ALA 9 N -1.51 3.55 0.91 6.09 0.00 -1.26 -4.88 121.76 124.66 1x5l s ALA 9 Ca 0.19 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 1x5l s ALA 9 Cb -0.08 -3.50 0.14 0.00 0.00 0.00 0.00 23.12 19.67 1x5l s ALA 9 CO 0.09 -0.60 1.11 0.00 0.00 0.00 0.00 175.76 176.36 1x5l s ALA 10 N -0.06 1.43 0.99 0.00 0.00 -1.26 -4.81 121.76 118.06 1x5l s ALA 10 Ca 0.56 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 1x5l s ALA 10 Cb -0.38 -3.33 0.19 0.00 0.00 0.00 0.00 23.12 19.59 1x5l s ALA 10 CO 0.41 -2.58 1.09 -1.25 0.00 0.00 0.00 175.76 173.43 1x5l s PRO 11 N -4.74 0.46 0.71 0.00 0.04 -1.24 -4.70 135.00 125.53 1x5l s PRO 11 Ca 0.65 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.12 1x5l s PRO 11 Cb -0.21 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1x5l s PRO 11 CO 0.58 -2.71 1.10 0.45 0.04 0.00 0.00 177.00 176.45 1x5l s SER 12 N -3.45 5.32 -0.39 6.66 0.15 -0.90 -4.77 113.70 116.32 1x5l s SER 12 Ca 0.65 1.05 -0.21 0.00 0.70 0.00 0.00 55.95 58.14 1x5l s SER 12 Cb -0.19 -1.81 0.01 0.00 -1.71 0.00 0.00 66.02 62.32 1x5l s SER 12 CO 0.58 -1.40 0.66 -1.58 1.20 0.00 0.00 173.24 172.69 1x5l s GLN 13 N -5.37 3.52 -0.02 5.44 0.74 -1.26 -4.79 119.66 117.92 1x5l s GLN 13 Ca 0.58 -0.10 -0.35 0.00 0.05 0.00 0.00 55.36 55.55 1x5l s GLN 13 Cb -0.11 -3.87 -0.13 0.00 1.10 0.00 0.00 33.01 30.00 1x5l s GLN 13 CO 0.51 -0.87 1.75 0.28 -0.55 0.00 0.00 175.29 176.40 1x5l n VAL 14 N 5.74 0.35 -0.82 1.34 0.31 -1.26 -4.86 118.33 119.14 1x5l n VAL 14 Ca -0.01 -0.06 0.08 0.00 -0.01 0.00 0.00 64.34 64.34 1x5l n VAL 14 Cb 0.48 -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 4.44 1.77 -3.87 2.52 0.24 -1.26 -4.23 118.33 117.93 1x5l n VAL 15 Ca 0.21 -1.90 -0.30 0.00 -2.04 0.00 0.00 64.34 60.32 1x5l n VAL 15 Cb 0.27 -0.07 -0.15 0.00 -1.47 0.00 0.00 33.84 32.41 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 -2.43 1.31 -0.04 3.34 0.11 -1.26 -5.08 120.40 116.35 1x5l s VAL 16 Ca 0.28 -1.31 -0.02 0.00 -2.93 0.00 0.00 61.98 58.00 1x5l s VAL 16 Cb 0.24 -1.76 0.02 0.00 -1.53 0.00 0.00 36.38 33.35 1x5l s VAL 16 CO 0.04 -0.32 0.10 -0.63 -3.33 0.00 0.00 175.10 170.96 1x5l s ILE 17 N 1.46 -0.03 0.23 7.04 1.01 -1.26 -3.94 121.20 125.71 1x5l s ILE 17 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1x5l s ILE 17 Cb -0.18 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 1x5l s ILE 17 CO -0.11 0.05 0.13 -0.13 0.00 0.00 0.00 174.94 174.88 1x5l s ARG 18 N 0.68 1.31 -0.25 2.79 0.52 0.84 -4.95 118.95 119.89 1x5l s ARG 18 Ca -0.05 -1.71 0.03 0.00 -0.52 0.00 0.00 55.73 53.48 1x5l s ARG 18 Cb -0.07 0.13 0.06 0.00 0.52 0.00 0.00 34.95 35.58 1x5l s ARG 18 CO -0.03 -0.39 -0.11 -1.14 0.02 0.00 0.00 175.30 173.65 1x5l s GLN 19 N -4.06 2.26 -0.03 3.54 0.74 -1.26 -0.12 119.66 120.72 1x5l s GLN 19 Ca 0.39 -1.29 -0.23 0.00 0.05 0.00 0.00 55.36 54.27 1x5l s GLN 19 Cb 0.07 -2.85 -0.17 0.00 1.10 0.00 0.00 33.01 31.16 1x5l s GLN 19 CO 0.14 -0.55 1.04 0.93 -0.55 0.00 0.00 175.29 176.31 1x5l h GLU 20 N 7.79 -0.21 -2.92 1.67 5.08 -1.87 -3.46 114.58 120.67 1x5l h GLU 20 Ca -0.21 0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.00 1x5l h GLU 20 Cb 1.05 0.05 -0.28 0.00 0.50 0.00 0.00 28.75 30.06 1x5l h GLU 20 CO 0.47 0.21 -0.42 1.03 -1.00 0.00 0.00 179.01 179.30 1x5l s ARG 21 N -3.89 0.27 -0.36 2.33 0.52 -1.26 -5.01 118.95 111.55 1x5l s ARG 21 Ca -0.14 0.59 -0.01 0.00 -0.52 0.00 0.00 55.73 55.65 1x5l s ARG 21 Cb 0.01 -0.07 0.09 0.00 0.52 0.00 0.00 34.95 35.50 1x5l s ARG 21 CO 0.54 -0.15 0.10 0.00 0.02 0.00 0.00 175.30 175.81 1x5l s ALA 22 N 1.20 2.98 0.81 2.13 0.00 -1.26 -0.14 121.76 127.48 1x5l s ALA 22 Ca -0.09 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.56 1x5l s ALA 22 Cb -0.09 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1x5l s ALA 22 CO -0.09 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.46 1x5l n GLY 23 N 4.51 -0.28 0.10 0.00 0.00 0.13 -4.65 105.19 105.01 1x5l n GLY 23 Ca -0.04 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 1x5l n GLY 23 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1x5l h GLN 24 N 0.00 0.12 -0.09 1.61 4.15 -1.93 -2.69 115.11 116.28 1x5l h GLN 24 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1x5l h GLN 24 Cb 0.00 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1x5l h GLN 24 CO 0.00 1.10 0.00 0.25 -1.93 0.00 0.00 178.83 178.25 1x5l n THR 25 N -4.30 1.77 -3.72 2.39 -2.24 -1.26 -3.85 114.28 103.07 1x5l n THR 25 Ca -0.19 -1.87 -0.10 0.00 -2.27 0.00 0.00 64.05 59.62 1x5l n THR 25 Cb 0.70 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 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 -2.19 -0.11 -0.22 3.42 1.04 -1.26 -1.28 113.70 113.09 1x5l s SER 26 Ca 0.28 -0.40 -0.18 0.00 0.48 0.00 0.00 55.95 56.14 1x5l s SER 26 Cb 0.24 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.83 1x5l s SER 26 CO 0.05 -0.78 0.58 -0.69 0.98 0.00 0.00 173.24 173.38 1x5l s VAL 27 N -3.63 -0.00 -0.00 5.02 1.01 0.03 0.23 120.40 123.05 1x5l s VAL 27 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1x5l s VAL 27 Cb 0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1x5l s VAL 27 CO -0.10 0.01 0.11 -0.55 0.00 0.00 0.00 175.10 174.56 1x5l s SER 28 N 0.78 5.87 0.00 3.32 0.15 0.80 -0.20 113.70 124.42 1x5l s SER 28 Ca -0.04 0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.85 1x5l s SER 28 Cb -0.05 -1.73 -0.01 0.00 -1.71 0.00 0.00 66.02 62.52 1x5l s SER 28 CO -0.06 0.27 -0.12 -0.76 1.20 0.00 0.00 173.24 173.76 1x5l s LEU 29 N -1.82 2.06 -0.14 3.45 1.43 -0.75 -2.93 118.68 119.99 1x5l s LEU 29 Ca 0.24 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1x5l s LEU 29 Cb -0.12 -0.61 0.01 0.00 0.03 0.00 0.00 46.19 45.51 1x5l s LEU 29 CO 0.16 0.11 -0.18 -0.76 0.23 0.00 0.00 176.35 175.90 1x5l s LEU 30 N -0.52 1.92 -0.08 1.79 1.43 0.82 -3.44 118.68 120.60 1x5l s LEU 30 Ca 0.04 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.55 1x5l s LEU 30 Cb -0.06 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.90 1x5l s LEU 30 CO -0.00 0.03 0.20 -1.66 0.23 0.00 0.00 176.35 175.15 1x5l s TRP 31 N 1.03 -0.24 0.43 0.29 -2.14 -1.21 -0.11 118.94 116.99 1x5l s TRP 31 Ca -0.04 0.60 -0.00 0.00 2.66 0.00 0.00 56.10 59.32 1x5l s TRP 31 Cb -0.15 0.04 -0.02 0.00 -3.10 0.00 0.00 33.47 30.25 1x5l s TRP 31 CO -0.05 -0.15 0.65 1.14 -2.66 0.00 0.00 176.95 175.88 1x5l s GLN 32 N 0.65 3.23 0.49 3.25 -2.07 -1.25 -4.73 119.66 119.23 1x5l s GLN 32 Ca -0.04 -0.36 -0.23 0.00 -1.82 0.00 0.00 55.36 52.91 1x5l s GLN 32 Cb -0.06 -2.56 -0.08 0.00 -1.09 0.00 0.00 33.01 29.22 1x5l s GLN 32 CO -0.04 -0.15 1.16 0.39 -1.32 0.00 0.00 175.29 175.34 1x5l n GLU 33 N -2.02 1.52 -1.94 9.60 1.02 -1.26 -4.85 120.64 122.70 1x5l n GLU 33 Ca -0.00 0.55 -0.34 0.00 -0.02 0.00 0.00 57.16 57.35 1x5l n GLU 33 Cb 0.57 -2.30 0.03 0.00 -0.02 0.00 0.00 31.44 29.72 1x5l n GLU 33 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1x5l s PRO 34 N -2.44 3.01 0.11 3.49 0.04 -1.26 -4.95 135.00 133.00 1x5l s PRO 34 Ca 0.67 1.47 -0.24 0.00 0.04 0.00 0.00 61.00 62.94 1x5l s PRO 34 Cb -0.48 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 1x5l s PRO 34 CO 0.53 -1.10 1.41 0.93 0.04 0.00 0.00 177.00 178.81 1x5l h GLU 35 N 0.46 -0.08 -3.99 4.56 5.08 -1.92 -3.34 114.58 115.34 1x5l h GLU 35 Ca -0.48 0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.28 1x5l h GLU 35 Cb 1.25 0.02 -0.40 0.00 0.50 0.00 0.00 28.75 30.12 1x5l h GLU 35 CO 0.55 -0.05 -0.75 -0.65 -1.00 0.00 0.00 179.01 177.11 1x5l s GLN 36 N -4.90 1.06 0.49 2.33 -0.21 -1.26 -4.97 119.66 112.20 1x5l s GLN 36 Ca -0.09 -1.25 0.32 0.00 0.02 0.00 0.00 55.36 54.35 1x5l s GLN 36 Cb 0.08 -2.42 1.32 0.00 1.00 0.00 0.00 33.01 32.99 1x5l s GLN 36 CO 0.46 -0.90 1.94 -1.00 -2.12 0.00 0.00 175.29 173.67 1x5l h PRO 37 N 7.94 0.00 -6.20 2.91 0.13 -1.94 -2.38 132.00 132.46 1x5l h PRO 37 Ca -0.12 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.57 1x5l h PRO 37 Cb 1.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.17 1x5l h PRO 37 CO 0.47 0.00 -0.81 0.09 -0.23 0.00 0.00 178.00 177.52 1x5l n ASN 38 N -2.90 -2.52 0.00 1.44 3.02 -1.26 -3.67 115.26 109.36 1x5l n ASN 38 Ca 0.01 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1x5l n ASN 38 Cb 0.28 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 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 -1.65 3.40 3.63 7.41 0.00 -1.26 -4.67 105.19 112.05 1x5l n GLY 39 Ca -0.17 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.22 3.67 -0.09 -0.61 1.09 -1.26 -4.95 121.20 116.82 1x5l s ILE 40 Ca 0.00 0.74 -0.30 0.00 -1.10 0.00 0.00 60.65 60.00 1x5l s ILE 40 Cb 0.00 -3.70 -0.03 0.00 -1.06 0.00 0.00 42.46 37.66 1x5l s ILE 40 CO 0.00 -0.32 1.35 -0.63 -0.10 0.00 0.00 174.94 175.25 1x5l s ILE 41 N 5.41 4.03 0.01 2.92 1.01 -1.26 -4.17 121.20 129.15 1x5l s ILE 41 Ca 0.72 1.31 -0.26 0.00 0.00 0.00 0.00 60.65 62.42 1x5l s ILE 41 Cb -0.24 -3.84 -0.15 0.00 0.01 0.00 0.00 42.46 38.23 1x5l s ILE 41 CO 0.30 -0.07 1.17 -0.07 0.00 0.00 0.00 174.94 176.26 1x5l h LEU 42 N 9.27 -0.61 -7.25 2.97 3.38 -1.51 -3.49 115.31 118.07 1x5l h LEU 42 Ca -0.32 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 57.70 1x5l h LEU 42 Cb 1.14 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.93 1x5l h LEU 42 CO 0.94 -0.25 0.42 -1.83 0.09 0.00 0.00 178.44 177.81 1x5l s GLU 43 N -4.69 1.08 -0.15 1.13 1.03 -1.25 -4.91 118.70 110.94 1x5l s GLU 43 Ca -0.14 -0.48 -0.06 0.00 0.03 0.00 0.00 54.97 54.32 1x5l s GLU 43 Cb 0.02 0.44 -0.04 0.00 -0.80 0.00 0.00 34.13 33.75 1x5l s GLU 43 CO 0.47 -0.48 0.07 0.71 -1.33 0.00 0.00 175.26 174.71 1x5l s TYR 44 N -3.34 3.33 -0.17 4.83 1.51 -0.06 -2.71 117.35 120.75 1x5l s TYR 44 Ca 0.07 0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 56.31 1x5l s TYR 44 Cb -0.01 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1x5l s TYR 44 CO -0.06 0.37 -0.01 -2.00 -1.11 0.00 0.00 175.55 172.74 1x5l s GLU 45 N -0.23 3.72 -0.20 -0.62 2.12 0.06 -1.38 118.70 122.17 1x5l s GLU 45 Ca 0.08 -0.49 -0.04 0.00 0.36 0.00 0.00 54.97 54.88 1x5l s GLU 45 Cb -0.12 -2.99 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 1x5l s GLU 45 CO 0.01 0.22 -0.02 0.42 -0.54 0.00 0.00 175.26 175.35 1x5l s ILE 46 N 0.44 3.75 -0.26 -3.70 1.01 -0.36 -0.70 121.20 121.38 1x5l s ILE 46 Ca -0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 1x5l s ILE 46 Cb -0.14 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 1x5l s ILE 46 CO 0.02 0.43 0.04 -0.75 0.00 0.00 0.00 174.94 174.69 1x5l s LYS 47 N 1.06 3.29 -0.14 2.79 2.20 0.06 -1.19 119.74 127.82 1x5l s LYS 47 Ca 0.02 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1x5l s LYS 47 Cb -0.14 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1x5l s LYS 47 CO 0.01 -0.31 -0.12 1.52 -0.36 0.00 0.00 175.35 176.09 1x5l s TYR 48 N 1.51 1.94 0.25 4.03 1.13 -1.06 -1.05 117.35 124.11 1x5l s TYR 48 Ca 0.04 -1.07 0.05 0.00 -1.41 0.00 0.00 57.07 54.68 1x5l s TYR 48 Cb -0.16 -1.47 -0.05 0.00 -1.10 0.00 0.00 41.96 39.18 1x5l s TYR 48 CO 0.01 -0.62 -0.04 1.52 -2.51 0.00 0.00 175.55 173.91 1x5l s TYR 49 N 1.56 1.76 -0.40 -3.49 -0.85 -1.16 -3.03 117.35 111.74 1x5l s TYR 49 Ca 0.05 -0.79 -0.27 0.00 -0.52 0.00 0.00 57.07 55.54 1x5l s TYR 49 Cb -0.13 -1.00 -0.06 0.00 0.38 0.00 0.00 41.96 41.15 1x5l s TYR 49 CO -0.10 0.14 2.30 -1.21 -1.52 0.00 0.00 175.55 175.16 1x5l s GLU 50 N -3.78 2.50 0.21 -3.49 2.02 -1.10 -1.50 118.70 113.55 1x5l s GLU 50 Ca 0.28 1.57 -0.07 0.00 0.02 0.00 0.00 54.97 56.77 1x5l s GLU 50 Cb 0.04 -4.49 0.34 0.00 0.10 0.00 0.00 34.13 30.12 1x5l s GLU 50 CO 0.10 -2.82 1.19 1.17 0.02 0.00 0.00 175.26 174.92 1x5l n LYS 51 N 8.92 -0.08 -0.07 1.61 3.00 0.28 0.17 118.16 131.99 1x5l n LYS 51 Ca 0.33 1.19 -0.15 0.00 -0.00 0.00 0.00 58.31 59.68 1x5l n LYS 51 Cb 0.51 -1.78 -0.05 0.00 0.00 0.00 0.00 35.03 33.72 1x5l n LYS 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1x5l h ASP 52 N 0.00 0.98 -3.50 3.14 5.19 -1.88 -3.40 116.42 116.95 1x5l h ASP 52 Ca 0.36 -0.55 -0.71 0.00 -0.62 0.00 0.00 57.03 55.51 1x5l h ASP 52 Cb 0.55 -0.28 -0.28 0.00 0.18 0.00 0.00 39.33 39.50 1x5l h ASP 52 CO -0.78 1.34 -0.49 -0.54 -3.12 0.00 0.00 179.24 175.65 1x5l s LYS 53 N -4.08 2.62 -0.08 3.56 -0.14 0.45 -4.95 119.74 117.12 1x5l s LYS 53 Ca -0.11 -1.39 -0.07 0.00 -1.36 0.00 0.00 55.97 53.04 1x5l s LYS 53 Cb 0.10 -3.73 -0.02 0.00 -1.68 0.00 0.00 37.83 32.49 1x5l s LYS 53 CO 0.89 -0.89 -0.14 0.39 -0.76 0.00 0.00 175.35 174.84 1x5l n GLU 54 N 4.91 0.26 0.03 1.68 1.02 -1.20 -2.73 120.64 124.60 1x5l n GLU 54 Ca -0.10 0.24 0.19 0.00 -0.02 0.00 0.00 57.16 57.46 1x5l n GLU 54 Cb 0.43 -1.10 0.44 0.00 -0.02 0.00 0.00 31.44 31.19 1x5l n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x5l h MET 55 N -0.52 0.00 -7.29 3.49 -0.00 -1.92 -3.41 114.93 105.28 1x5l h MET 55 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 59.70 59.20 1x5l h MET 55 Cb 0.41 0.00 0.17 0.00 -0.00 0.00 0.00 31.60 32.17 1x5l h MET 55 CO 0.00 0.00 0.24 -0.65 -0.00 0.00 0.00 176.91 176.50 1x5l s GLN 56 N -4.34 1.32 0.29 -0.10 -1.52 -1.26 -4.91 119.66 109.14 1x5l s GLN 56 Ca -0.02 1.21 -0.29 0.00 -1.95 0.00 0.00 55.36 54.31 1x5l s GLN 56 Cb 0.11 -1.79 -0.14 0.00 -0.22 0.00 0.00 33.01 30.97 1x5l s GLN 56 CO 0.36 -2.31 1.14 0.45 -0.25 0.00 0.00 175.29 174.68 1x5l n SER 57 N -3.98 1.87 -4.34 5.90 2.88 -1.26 -4.94 113.62 109.75 1x5l n SER 57 Ca 0.09 1.18 -0.30 0.00 -1.33 0.00 0.00 58.87 58.51 1x5l n SER 57 Cb 0.53 -1.35 -0.15 0.00 -0.75 0.00 0.00 64.21 62.49 1x5l n SER 57 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1x5l s TYR 58 N -0.91 2.30 -0.04 0.66 1.13 -1.26 -4.74 117.35 114.50 1x5l s TYR 58 Ca 0.60 -0.41 -0.10 0.00 -1.41 0.00 0.00 57.07 55.74 1x5l s TYR 58 Cb -0.67 -1.39 -0.05 0.00 -1.10 0.00 0.00 41.96 38.75 1x5l s TYR 58 CO 0.59 0.11 0.28 -1.12 -2.51 0.00 0.00 175.55 172.91 1x5l s SER 59 N -1.19 6.58 0.11 -0.18 0.01 -1.17 -5.01 113.70 112.86 1x5l s SER 59 Ca 0.11 0.69 0.08 0.00 1.31 0.00 0.00 55.95 58.15 1x5l s SER 59 Cb -0.10 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1x5l s SER 59 CO 0.02 0.33 -0.17 -0.89 0.41 0.00 0.00 173.24 172.94 1x5l s THR 60 N -1.13 2.94 0.03 1.44 2.01 -1.26 -2.55 115.64 117.12 1x5l s THR 60 Ca 0.22 -1.44 0.05 0.00 0.31 0.00 0.00 61.69 60.83 1x5l s THR 60 Cb -0.14 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 1x5l s THR 60 CO 0.11 0.12 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.81 1x5l s LEU 61 N -2.10 2.16 -0.16 4.42 2.96 -0.34 -4.99 118.68 120.63 1x5l s LEU 61 Ca 0.18 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1x5l s LEU 61 Cb -0.11 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.01 1x5l s LEU 61 CO 0.10 0.03 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.50 1x5l s LYS 62 N -1.08 3.32 -0.06 1.98 -0.14 -1.26 -1.23 119.74 121.27 1x5l s LYS 62 Ca 0.01 -0.70 0.01 0.00 -1.36 0.00 0.00 55.97 53.94 1x5l s LYS 62 Cb -0.08 -2.72 0.02 0.00 -1.68 0.00 0.00 37.83 33.37 1x5l s LYS 62 CO 0.01 0.04 -0.09 0.00 -0.76 0.00 0.00 175.35 174.55 1x5l s ALA 63 N 0.80 1.06 0.02 5.17 0.00 -0.48 -5.02 121.76 123.31 1x5l s ALA 63 Ca -0.04 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.66 1x5l s ALA 63 Cb -0.15 -0.56 -0.24 0.00 0.00 0.00 0.00 23.12 22.17 1x5l s ALA 63 CO 0.01 0.00 0.92 -0.39 0.00 0.00 0.00 175.76 176.30 1x5l h VAL 64 N 6.06 1.22 -1.84 0.00 -1.51 -1.89 -0.13 116.25 118.15 1x5l h VAL 64 Ca -0.33 -2.95 -0.44 0.00 -1.23 0.00 0.00 66.70 61.75 1x5l h VAL 64 Cb 1.17 2.68 0.04 0.00 -2.13 0.00 0.00 31.29 33.05 1x5l h VAL 64 CO 0.46 0.77 -0.10 0.28 -1.23 0.00 0.00 177.57 177.75 1x5l s THR 65 N -2.64 2.61 -2.00 7.19 -1.32 -1.26 -4.77 115.64 113.46 1x5l s THR 65 Ca -0.05 -0.81 0.05 0.00 -1.21 0.00 0.00 61.69 59.67 1x5l s THR 65 Cb 0.08 -2.80 0.15 0.00 -1.51 0.00 0.00 72.50 68.42 1x5l s THR 65 CO 0.83 0.00 1.07 0.35 -2.21 0.00 0.00 174.62 174.66 1x5l n THR 66 N -2.24 0.00 -4.36 5.08 -2.24 -1.26 -4.66 114.28 104.60 1x5l n THR 66 Ca 0.10 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.63 1x5l n THR 66 Cb 0.60 -0.17 -0.17 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.60 0.06 -0.78 0.52 -1.26 -3.30 118.95 113.79 1x5l s ARG 67 Ca 0.08 -0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 1x5l s ARG 67 Cb 0.04 -1.42 -0.02 0.00 0.52 0.00 0.00 34.95 34.06 1x5l s ARG 67 CO 0.06 -0.07 0.06 0.00 0.02 0.00 0.00 175.30 175.37 1x5l s ALA 68 N 0.99 0.19 -0.28 2.13 0.00 -1.22 -4.87 121.76 118.70 1x5l s ALA 68 Ca -0.09 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 1x5l s ALA 68 Cb -0.15 0.33 0.09 0.00 0.00 0.00 0.00 23.12 23.39 1x5l s ALA 68 CO -0.00 -0.40 0.10 0.99 0.00 0.00 0.00 175.76 176.46 1x5l s THR 69 N -3.64 0.31 -0.18 0.00 2.01 -1.26 -1.81 115.64 111.07 1x5l s THR 69 Ca 0.04 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 1x5l s THR 69 Cb 0.05 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1x5l s THR 69 CO -0.09 -0.62 1.65 -0.69 -0.69 0.00 0.00 174.62 174.18 1x5l s VAL 70 N 1.92 3.64 0.30 3.82 1.01 0.72 -4.81 120.40 126.99 1x5l s VAL 70 Ca 0.08 0.73 0.09 0.00 0.00 0.00 0.00 61.98 62.88 1x5l s VAL 70 Cb -0.17 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1x5l s VAL 70 CO -0.27 -0.23 0.01 -0.94 0.00 0.00 0.00 175.10 173.66 1x5l s SER 71 N 4.23 4.39 0.00 3.32 1.04 -1.26 -0.79 113.70 124.63 1x5l s SER 71 Ca 0.73 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1x5l s SER 71 Cb -0.27 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.15 1x5l s SER 71 CO 0.29 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1x5l n GLY 72 N -0.93 0.93 3.92 7.32 0.00 -0.41 -4.98 105.19 111.04 1x5l n GLY 72 Ca -0.05 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.90 3.53 -0.10 0.99 1.43 -0.69 -5.05 118.68 117.90 1x5l s LEU 73 Ca 0.00 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 1x5l s LEU 73 Cb 0.00 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1x5l s LEU 73 CO 0.00 -0.63 0.29 -0.54 0.23 0.00 0.00 176.35 175.70 1x5l s LYS 74 N -4.18 3.93 0.78 1.70 1.02 -1.26 -4.53 119.74 117.20 1x5l s LYS 74 Ca 0.49 0.14 -0.11 0.00 0.02 0.00 0.00 55.97 56.51 1x5l s LYS 74 Cb -0.06 -3.30 0.06 0.00 -0.52 0.00 0.00 37.83 34.02 1x5l s LYS 74 CO 0.29 0.53 1.09 -1.25 -0.92 0.00 0.00 175.35 175.10 1x5l s PRO 75 N -0.43 2.18 -1.70 -1.68 0.04 -1.25 -3.65 135.00 128.50 1x5l s PRO 75 Ca 0.18 1.15 -0.17 0.00 0.04 0.00 0.00 61.00 62.20 1x5l s PRO 75 Cb -0.14 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.66 1x5l s PRO 75 CO 0.07 -1.69 0.69 0.41 0.04 0.00 0.00 177.00 176.52 1x5l n GLY 76 N -1.20 -0.40 2.88 0.56 0.00 -1.07 -4.80 105.19 101.16 1x5l n GLY 76 Ca 0.09 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.39 -0.31 0.38 2.61 2.01 -1.24 -5.00 115.64 110.70 1x5l s THR 77 Ca 0.66 0.29 -0.27 0.00 0.31 0.00 0.00 61.69 62.67 1x5l s THR 77 Cb -0.36 -0.37 -0.10 0.00 0.01 0.00 0.00 72.50 71.67 1x5l s THR 77 CO 0.94 0.11 1.38 -0.13 -0.69 0.00 0.00 174.62 176.23 1x5l s ARG 78 N 2.33 4.09 0.00 4.92 0.52 -1.26 -3.83 118.95 125.73 1x5l s ARG 78 Ca 0.03 2.35 0.03 0.00 -0.52 0.00 0.00 55.73 57.62 1x5l s ARG 78 Cb -0.12 -2.91 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 1x5l s ARG 78 CO -0.07 -0.46 -0.10 0.71 0.02 0.00 0.00 175.30 175.40 1x5l s TYR 79 N -1.17 0.91 -0.40 -0.53 2.02 0.58 -0.56 117.35 118.20 1x5l s TYR 79 Ca 0.54 -0.21 -0.10 0.00 -0.37 0.00 0.00 57.07 56.92 1x5l s TYR 79 Cb -0.42 -0.57 0.05 0.00 -0.40 0.00 0.00 41.96 40.62 1x5l s TYR 79 CO 0.56 -0.01 0.25 0.08 -1.57 0.00 0.00 175.55 174.85 1x5l s VAL 80 N -0.37 4.46 0.37 0.71 1.01 -0.56 -1.52 120.40 124.49 1x5l s VAL 80 Ca 0.03 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 1x5l s VAL 80 Cb -0.05 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1x5l s VAL 80 CO -0.00 -0.39 0.77 -0.36 0.00 0.00 0.00 175.10 175.12 1x5l s PHE 81 N 1.50 3.41 -0.28 5.22 0.08 -0.73 -2.99 117.98 124.18 1x5l s PHE 81 Ca 0.02 1.17 0.01 0.00 0.12 0.00 0.00 56.93 58.25 1x5l s PHE 81 Cb -0.21 -2.52 0.18 0.00 -0.57 0.00 0.00 43.02 39.90 1x5l s PHE 81 CO 0.05 -0.01 0.52 -0.65 -0.10 0.00 0.00 175.22 175.02 1x5l s GLN 82 N -3.39 0.49 0.15 0.44 -0.21 -0.22 -2.95 119.66 113.97 1x5l s GLN 82 Ca 0.53 0.64 -0.16 0.00 0.02 0.00 0.00 55.36 56.40 1x5l s GLN 82 Cb -0.10 0.12 -0.07 0.00 1.00 0.00 0.00 33.01 33.95 1x5l s GLN 82 CO 0.24 -0.80 0.57 0.08 -2.12 0.00 0.00 175.29 173.25 1x5l s VAL 83 N 2.73 4.80 -0.04 1.09 1.01 -1.26 -0.76 120.40 127.98 1x5l s VAL 83 Ca 0.15 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 1x5l s VAL 83 Cb -0.13 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1x5l s VAL 83 CO -0.23 0.28 0.10 0.00 0.00 0.00 0.00 175.10 175.26 1x5l s ARG 84 N -1.84 0.12 -0.23 2.72 1.70 0.12 0.47 118.95 122.01 1x5l s ARG 84 Ca 0.37 0.14 -0.11 0.00 -0.47 0.00 0.00 55.73 55.66 1x5l s ARG 84 Cb -0.16 0.06 -0.05 0.00 -0.57 0.00 0.00 34.95 34.23 1x5l s ARG 84 CO 0.19 -0.01 0.17 0.00 -1.08 0.00 0.00 175.30 174.57 1x5l s ALA 85 N 0.06 3.62 0.05 7.88 0.00 -1.26 -0.76 121.76 131.35 1x5l s ALA 85 Ca -0.00 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.18 1x5l s ALA 85 Cb -0.01 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 1x5l s ALA 85 CO 0.00 -0.15 -0.10 -0.98 0.00 0.00 0.00 175.76 174.53 1x5l s ARG 86 N 0.97 2.28 0.24 0.00 1.70 -1.10 -3.52 118.95 119.52 1x5l s ARG 86 Ca 0.08 -0.90 0.06 0.00 -0.47 0.00 0.00 55.73 54.50 1x5l s ARG 86 Cb -0.13 -2.36 -0.05 0.00 -0.57 0.00 0.00 34.95 31.84 1x5l s ARG 86 CO 0.04 0.55 -0.06 0.95 -1.08 0.00 0.00 175.30 175.70 1x5l s THR 87 N -1.08 1.40 0.28 4.99 -4.23 0.59 -1.22 115.64 116.39 1x5l s THR 87 Ca 0.18 -2.10 0.02 0.00 -1.18 0.00 0.00 61.69 58.61 1x5l s THR 87 Cb -0.11 -2.29 0.27 0.00 1.34 0.00 0.00 72.50 71.71 1x5l s THR 87 CO 0.10 -0.40 1.71 -1.28 -0.54 0.00 0.00 174.62 174.20 1x5l h SER 88 N 2.44 0.33 0.77 3.99 0.87 -1.97 -2.31 113.55 117.66 1x5l h SER 88 Ca -0.39 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.28 1x5l h SER 88 Cb 1.22 0.12 0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1x5l h SER 88 CO 0.65 0.03 -0.37 0.00 -0.53 0.00 0.00 176.83 176.61 1x5l h ALA 89 N 1.67 -1.13 -2.32 6.23 0.00 -1.95 -3.49 119.26 118.27 1x5l h ALA 89 Ca 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x5l h ALA 89 Cb 0.95 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1x5l h ALA 89 CO -0.50 -1.06 0.00 0.41 0.00 0.00 0.00 179.25 178.10 1x5l n GLY 90 N -1.11 2.20 3.25 0.00 0.00 -0.87 -5.01 105.19 103.65 1x5l n GLY 90 Ca -0.13 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 1.38 2.20 3.70 0.00 0.00 -1.23 -4.93 105.19 106.31 1x5l n GLY 92 Ca -0.19 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.28 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 -4.49 1.05 1.25 1.61 0.52 -1.26 -4.81 118.95 112.82 1x5l s ARG 93 Ca 0.51 0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 56.40 1x5l s ARG 93 Cb -0.04 -1.78 0.29 0.00 0.52 0.00 0.00 34.95 33.94 1x5l s ARG 93 CO 0.33 -2.39 0.80 1.19 0.02 0.00 0.00 175.30 175.24 1x5l n PHE 94 N -3.99 -2.01 0.00 -0.53 3.72 -1.26 -4.69 117.46 108.70 1x5l n PHE 94 Ca 0.07 -0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 1x5l n PHE 94 Cb 0.55 -1.57 0.00 0.00 -0.94 0.00 0.00 39.48 37.52 1x5l n PHE 94 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x5l n SER 95 N -4.57 0.00 -3.62 4.37 3.41 0.18 -4.66 113.62 108.73 1x5l n SER 95 Ca 0.04 0.43 -0.09 0.00 -0.26 0.00 0.00 58.87 58.99 1x5l n SER 95 Cb 0.56 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1x5l n SER 95 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1x5l s GLN 96 N -0.91 1.41 -0.58 4.33 -0.21 -1.26 -4.74 119.66 117.70 1x5l s GLN 96 Ca 0.00 -0.66 -0.20 0.00 0.02 0.00 0.00 55.36 54.52 1x5l s GLN 96 Cb 0.00 0.56 0.08 0.00 1.00 0.00 0.00 33.01 34.65 1x5l s GLN 96 CO 0.00 -0.63 0.76 0.00 -2.12 0.00 0.00 175.29 173.30 1x5l s ALA 97 N -3.71 3.31 -0.17 6.09 0.00 -1.26 -4.36 121.76 121.67 1x5l s ALA 97 Ca 0.06 -1.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.06 1x5l s ALA 97 Cb -0.03 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 1x5l s ALA 97 CO -0.04 -2.35 0.01 1.41 0.00 0.00 0.00 175.76 174.79 1x5l s MET 98 N 3.11 3.80 -0.23 0.00 1.75 -1.15 -5.00 119.30 121.58 1x5l s MET 98 Ca 0.17 -0.43 -0.09 0.00 -1.25 0.00 0.00 55.69 54.09 1x5l s MET 98 Cb -0.20 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.37 1x5l s MET 98 CO 0.10 0.28 0.12 -1.21 -0.65 0.00 0.00 175.02 173.66 1x5l s GLU 99 N 0.31 3.95 -0.02 4.11 2.02 -1.26 -1.78 118.70 126.03 1x5l s GLU 99 Ca -0.00 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.66 1x5l s GLU 99 Cb -0.13 -3.43 0.01 0.00 0.10 0.00 0.00 34.13 30.68 1x5l s GLU 99 CO 0.01 0.03 -0.03 0.08 0.02 0.00 0.00 175.26 175.37 1x5l s VAL 100 N 1.10 0.35 -0.23 2.63 1.01 -0.57 -4.98 120.40 119.71 1x5l s VAL 100 Ca 0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1x5l s VAL 100 Cb -0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1x5l s VAL 100 CO 0.04 0.15 0.04 -0.70 0.00 0.00 0.00 175.10 174.63 1x5l s GLU 101 N 0.50 3.64 0.74 2.72 2.12 -1.26 -0.31 118.70 126.85 1x5l s GLU 101 Ca -0.05 -0.49 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 1x5l s GLU 101 Cb -0.09 -3.22 0.04 0.00 0.26 0.00 0.00 34.13 31.12 1x5l s GLU 101 CO -0.01 -0.10 1.08 0.95 -0.54 0.00 0.00 175.26 176.64 1x5l s THR 102 N 1.34 3.64 0.25 -1.70 -4.23 -1.25 -4.95 115.64 108.74 1x5l s THR 102 Ca 0.05 0.53 -0.31 0.00 -1.18 0.00 0.00 61.69 60.78 1x5l s THR 102 Cb -0.15 -3.17 -0.12 0.00 1.34 0.00 0.00 72.50 70.40 1x5l s THR 102 CO 0.02 -0.70 1.62 0.61 -0.54 0.00 0.00 174.62 175.63 1x5l n GLY 103 N -1.67 1.32 3.74 3.99 0.00 -1.01 -3.53 105.19 108.04 1x5l n GLY 103 Ca 0.08 0.54 -0.36 0.00 0.00 0.00 0.00 46.02 46.27 1x5l n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5l s LYS 104 N 0.19 2.80 0.51 1.61 -0.14 -1.26 -2.58 119.74 120.86 1x5l s LYS 104 Ca 0.69 1.93 -0.21 0.00 -1.36 0.00 0.00 55.97 57.02 1x5l s LYS 104 Cb -0.53 -1.89 -0.06 0.00 -1.68 0.00 0.00 37.83 33.66 1x5l s LYS 104 CO 0.42 -1.37 1.14 -1.25 -0.76 0.00 0.00 175.35 173.54 1x5l s PRO 105 N -3.35 3.50 0.33 -1.68 0.04 -1.26 -4.79 135.00 127.79 1x5l s PRO 105 Ca 0.80 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.55 1x5l s PRO 105 Cb -0.33 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.99 1x5l s PRO 105 CO 0.36 -0.74 0.06 -1.12 0.04 0.00 0.00 177.00 175.59 1x5l s SER 106 N -1.62 2.41 0.17 6.66 0.01 -1.26 -5.06 113.70 115.01 1x5l s SER 106 Ca 0.69 -1.39 0.01 0.00 1.31 0.00 0.00 55.95 56.58 1x5l s SER 106 Cb -0.26 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1x5l s SER 106 CO 0.30 -0.62 0.33 -0.83 0.41 0.00 0.00 173.24 172.83 1x5l s GLY 107 N -3.49 1.73 0.00 3.44 0.00 -1.26 -4.98 107.32 102.76 1x5l s GLY 107 Ca 0.36 -0.96 0.14 0.00 0.00 0.00 0.00 44.72 44.26 1x5l s GLY 107 CO 0.16 -0.94 1.25 -1.55 0.00 0.00 0.00 173.10 172.01 1x5l n PRO 108 N -0.61 0.49 -1.69 2.90 -0.04 -1.26 -4.82 135.00 129.97 1x5l n PRO 108 Ca -0.06 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.96 1x5l n PRO 108 Cb 0.54 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 1x5l n PRO 108 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x5l n SER 109 N -0.94 3.49 -4.83 3.54 3.41 -1.26 -4.96 113.62 112.06 1x5l n SER 109 Ca 0.10 1.08 -0.31 0.00 -0.26 0.00 0.00 58.87 59.48 1x5l n SER 109 Cb 0.05 -1.49 0.04 0.00 -0.26 0.00 0.00 64.21 62.55 1x5l n SER 109 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5l s SER 110 N 1.01 5.54 0.00 4.04 0.01 -1.26 -5.23 113.70 117.81 1x5l s SER 110 Ca 0.77 1.60 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1x5l s SER 110 Cb -0.60 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.14 1x5l s SER 110 CO 0.36 -1.33 0.00 0.61 0.41 0.00 0.00 173.24 173.28