#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 1.39 -0.10 1.61 0.01 -1.26 -5.07 113.70 110.29 1x5l s SER 2 Ca 0.00 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.02 1x5l s SER 2 Cb 0.00 -0.30 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 1x5l s SER 2 CO 0.00 0.10 -0.05 0.28 0.41 0.00 0.00 173.24 173.99 1x5l h SER 3 N 6.19 0.00 0.00 2.44 0.02 -2.04 -3.48 113.55 116.67 1x5l h SER 3 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1x5l h SER 3 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1x5l h SER 3 CO 0.49 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 177.31 1x5l n GLY 4 N 1.75 -1.81 0.34 -3.77 0.00 -1.26 -4.95 105.19 95.49 1x5l n GLY 4 Ca -0.02 0.73 -0.04 0.00 0.00 0.00 0.00 46.02 46.70 1x5l n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5l n SER 5 N 0.00 -0.66 -4.59 1.61 3.41 -1.26 -3.86 113.62 108.27 1x5l n SER 5 Ca 0.00 1.50 -0.42 0.00 -0.26 0.00 0.00 58.87 59.69 1x5l n SER 5 Cb 0.00 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 1x5l n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5l s SER 6 N -5.34 5.88 0.03 4.04 0.15 -1.26 -4.69 113.70 112.52 1x5l s SER 6 Ca -0.11 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1x5l s SER 6 Cb 0.15 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1x5l s SER 6 CO 0.58 -1.76 0.00 0.61 1.20 0.00 0.00 173.24 173.87 1x5l n GLY 7 N 5.39 0.97 3.05 9.45 0.00 -1.25 -4.97 105.19 117.83 1x5l n GLY 7 Ca 0.21 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 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 0.45 0.62 1.61 -0.21 -1.26 -5.05 119.66 115.82 1x5l s GLN 8 Ca 0.00 -0.69 -0.18 0.00 0.02 0.00 0.00 55.36 54.51 1x5l s GLN 8 Cb 0.00 0.17 -0.05 0.00 1.00 0.00 0.00 33.01 34.13 1x5l s GLN 8 CO 0.00 -0.09 0.80 0.00 -2.12 0.00 0.00 175.29 173.88 1x5l n ALA 9 N 1.16 -0.38 -1.79 6.09 0.00 -1.26 -4.79 120.51 119.55 1x5l n ALA 9 Ca -0.21 -0.05 -0.33 0.00 0.00 0.00 0.00 53.44 52.85 1x5l n ALA 9 Cb 0.57 -2.01 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 1x5l n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5l s ALA 10 N -1.64 2.93 0.39 0.00 0.00 -1.26 -4.83 121.76 117.35 1x5l s ALA 10 Ca 0.73 0.45 -0.26 0.00 0.00 0.00 0.00 51.96 52.88 1x5l s ALA 10 Cb -0.41 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 1x5l s ALA 10 CO 0.50 -0.26 1.19 -1.25 0.00 0.00 0.00 175.76 175.94 1x5l s PRO 11 N -3.49 4.10 1.04 0.00 0.04 -1.24 -4.68 135.00 130.77 1x5l s PRO 11 Ca 0.64 1.91 -0.13 0.00 0.04 0.00 0.00 61.00 63.46 1x5l s PRO 11 Cb -0.13 -2.75 0.16 0.00 0.04 0.00 0.00 34.50 31.82 1x5l s PRO 11 CO 0.23 -0.30 0.77 0.43 0.04 0.00 0.00 177.00 178.16 1x5l n SER 12 N 0.21 -1.26 -4.72 6.66 7.64 0.12 -4.45 113.62 117.83 1x5l n SER 12 Ca 0.04 0.13 -0.37 0.00 1.01 0.00 0.00 58.87 59.67 1x5l n SER 12 Cb 0.46 -1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.32 1x5l n SER 12 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1x5l s GLN 13 N -4.16 4.31 -0.19 1.43 0.74 -1.26 -4.70 119.66 115.83 1x5l s GLN 13 Ca 0.64 0.33 -0.29 0.00 0.05 0.00 0.00 55.36 56.08 1x5l s GLN 13 Cb -0.22 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 1x5l s GLN 13 CO 0.64 0.17 1.64 0.08 -0.55 0.00 0.00 175.29 177.27 1x5l s VAL 14 N 0.62 3.65 -0.21 1.34 1.01 -1.26 -4.83 120.40 120.71 1x5l s VAL 14 Ca 0.23 0.74 0.12 0.00 0.00 0.00 0.00 61.98 63.07 1x5l s VAL 14 Cb -0.14 -3.63 0.26 0.00 0.00 0.00 0.00 36.38 32.87 1x5l s VAL 14 CO 0.08 -0.23 1.18 1.33 0.00 0.00 0.00 175.10 177.46 1x5l n VAL 15 N 6.26 1.61 -3.92 2.92 0.24 -1.26 -3.72 118.33 120.46 1x5l n VAL 15 Ca 0.19 -1.68 -0.30 0.00 -2.04 0.00 0.00 64.34 60.51 1x5l n VAL 15 Cb 0.45 0.06 -0.16 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.11 1.48 0.00 3.34 0.11 -1.26 -4.88 120.40 117.08 1x5l s VAL 16 Ca 0.24 -1.25 -0.03 0.00 -2.93 0.00 0.00 61.98 58.02 1x5l s VAL 16 Cb 0.20 -1.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.25 1x5l s VAL 16 CO 0.05 -0.15 0.05 -0.63 -3.33 0.00 0.00 175.10 171.09 1x5l s ILE 17 N 1.41 0.07 0.26 7.04 1.01 -1.26 -3.76 121.20 125.98 1x5l s ILE 17 Ca -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 1x5l s ILE 17 Cb -0.19 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 1x5l s ILE 17 CO -0.07 -0.32 0.27 -0.13 0.00 0.00 0.00 174.94 174.69 1x5l s ARG 18 N -1.02 1.50 -0.26 2.79 0.52 0.26 -4.93 118.95 117.82 1x5l s ARG 18 Ca -0.11 -1.69 0.02 0.00 -0.52 0.00 0.00 55.73 53.43 1x5l s ARG 18 Cb -0.07 0.34 0.05 0.00 0.52 0.00 0.00 34.95 35.80 1x5l s ARG 18 CO 0.00 -0.56 -0.10 -1.14 0.02 0.00 0.00 175.30 173.52 1x5l s GLN 19 N -3.79 2.35 -0.04 3.54 0.74 -1.26 -0.07 119.66 121.13 1x5l s GLN 19 Ca 0.36 -1.28 -0.13 0.00 0.05 0.00 0.00 55.36 54.35 1x5l s GLN 19 Cb 0.04 -2.90 -0.07 0.00 1.10 0.00 0.00 33.01 31.17 1x5l s GLN 19 CO 0.17 -0.54 0.56 0.93 -0.55 0.00 0.00 175.29 175.86 1x5l h GLU 20 N 7.82 -0.47 -3.73 1.67 4.39 -1.90 -3.47 114.58 118.90 1x5l h GLU 20 Ca -0.22 0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.24 1x5l h GLU 20 Cb 1.05 0.11 -0.31 0.00 -0.10 0.00 0.00 28.75 29.50 1x5l h GLU 20 CO 0.49 -0.31 -0.73 1.03 -1.16 0.00 0.00 179.01 178.33 1x5l s ARG 21 N -3.12 0.08 -0.28 2.33 0.52 -1.26 -5.03 118.95 112.18 1x5l s ARG 21 Ca -0.07 0.05 -0.02 0.00 -0.52 0.00 0.00 55.73 55.17 1x5l s ARG 21 Cb 0.01 -0.18 0.04 0.00 0.52 0.00 0.00 34.95 35.34 1x5l s ARG 21 CO 0.21 -0.06 -0.02 0.00 0.02 0.00 0.00 175.30 175.45 1x5l s ALA 22 N 0.44 2.77 0.03 2.13 0.00 -1.26 -1.21 121.76 124.67 1x5l s ALA 22 Ca -0.04 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1x5l s ALA 22 Cb -0.06 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1x5l s ALA 22 CO -0.01 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.02 1x5l n GLY 23 N 4.63 1.84 0.14 0.00 0.00 0.16 -4.75 105.19 107.21 1x5l n GLY 23 Ca -0.14 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.23 -0.16 1.61 4.15 -1.89 -2.40 115.11 116.19 1x5l h GLN 24 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1x5l h GLN 24 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1x5l h GLN 24 CO 0.00 0.16 0.00 0.25 -1.93 0.00 0.00 178.83 177.31 1x5l n THR 25 N -4.93 1.81 -3.90 2.39 -2.24 -1.26 -4.01 114.28 102.14 1x5l n THR 25 Ca -0.07 -1.76 -0.11 0.00 -2.27 0.00 0.00 64.05 59.84 1x5l n THR 25 Cb 0.25 -0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.97 0.08 -0.16 3.42 1.04 -1.26 -2.29 113.70 112.56 1x5l s SER 26 Ca 0.31 -0.31 -0.13 0.00 0.48 0.00 0.00 55.95 56.30 1x5l s SER 26 Cb 0.25 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.60 1x5l s SER 26 CO 0.07 -0.38 0.41 -0.69 0.98 0.00 0.00 173.24 173.63 1x5l s VAL 27 N -1.60 -0.01 0.13 5.02 1.01 -0.82 0.39 120.40 124.52 1x5l s VAL 27 Ca -0.13 0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1x5l s VAL 27 Cb -0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1x5l s VAL 27 CO 0.00 0.01 0.11 -0.55 0.00 0.00 0.00 175.10 174.67 1x5l s SER 28 N 0.50 5.51 -0.01 3.32 0.15 -0.35 -0.57 113.70 122.26 1x5l s SER 28 Ca -0.02 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.56 1x5l s SER 28 Cb -0.04 -1.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 1x5l s SER 28 CO -0.03 0.12 -0.03 -0.76 1.20 0.00 0.00 173.24 173.74 1x5l s LEU 29 N -2.78 1.88 -0.14 3.45 1.43 -0.77 -3.47 118.68 118.28 1x5l s LEU 29 Ca 0.30 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1x5l s LEU 29 Cb -0.11 -0.18 -0.00 0.00 0.03 0.00 0.00 46.19 45.93 1x5l s LEU 29 CO 0.23 0.02 -0.18 -0.76 0.23 0.00 0.00 176.35 175.89 1x5l s LEU 30 N 0.09 2.37 -0.09 1.79 1.43 0.90 -3.54 118.68 121.63 1x5l s LEU 30 Ca -0.01 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1x5l s LEU 30 Cb -0.03 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.71 1x5l s LEU 30 CO -0.00 0.11 0.21 -1.66 0.23 0.00 0.00 176.35 175.23 1x5l s TRP 31 N 0.68 -0.26 0.42 0.29 -2.14 -1.21 0.91 118.94 117.62 1x5l s TRP 31 Ca -0.08 0.66 -0.02 0.00 2.66 0.00 0.00 56.10 59.31 1x5l s TRP 31 Cb -0.16 0.02 -0.03 0.00 -3.10 0.00 0.00 33.47 30.20 1x5l s TRP 31 CO 0.02 -0.19 0.67 1.14 -2.66 0.00 0.00 176.95 175.92 1x5l s GLN 32 N 1.04 3.46 0.55 3.25 -2.07 -1.25 -4.75 119.66 119.89 1x5l s GLN 32 Ca -0.08 -0.11 -0.20 0.00 -1.82 0.00 0.00 55.36 53.15 1x5l s GLN 32 Cb -0.09 -2.52 -0.07 0.00 -1.09 0.00 0.00 33.01 29.23 1x5l s GLN 32 CO -0.06 -0.06 0.82 0.39 -1.32 0.00 0.00 175.29 175.05 1x5l n GLU 33 N -2.03 0.85 -1.60 9.60 4.71 -1.26 -4.84 120.64 126.07 1x5l n GLU 33 Ca -0.02 0.32 -0.32 0.00 -0.01 0.00 0.00 57.16 57.13 1x5l n GLU 33 Cb 0.56 -1.97 0.06 0.00 -1.01 0.00 0.00 31.44 29.08 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 2.63 0.24 3.49 0.04 -1.26 -4.93 135.00 132.87 1x5l s PRO 34 Ca 0.70 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.98 1x5l s PRO 34 Cb -0.46 -1.93 0.39 0.00 0.04 0.00 0.00 34.50 32.53 1x5l s PRO 34 CO 0.52 -1.38 1.62 0.93 0.04 0.00 0.00 177.00 178.73 1x5l h GLU 35 N -0.33 0.05 -3.16 4.56 5.08 -1.92 -3.34 114.58 115.51 1x5l h GLU 35 Ca -0.46 -0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.36 1x5l h GLU 35 Cb 1.24 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.08 1x5l h GLU 35 CO 0.53 0.03 -0.77 -0.65 -1.00 0.00 0.00 179.01 177.16 1x5l s GLN 36 N -6.17 0.40 0.46 2.33 -0.21 -1.26 -4.99 119.66 110.22 1x5l s GLN 36 Ca -0.14 -0.64 0.24 0.00 0.02 0.00 0.00 55.36 54.85 1x5l s GLN 36 Cb 0.22 -1.62 1.04 0.00 1.00 0.00 0.00 33.01 33.66 1x5l s GLN 36 CO 0.75 -0.92 1.88 -1.00 -2.12 0.00 0.00 175.29 173.88 1x5l h PRO 37 N 8.29 0.00 -6.28 2.91 0.13 -1.92 0.35 132.00 135.48 1x5l h PRO 37 Ca -0.17 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.49 1x5l h PRO 37 Cb 1.04 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1x5l h PRO 37 CO 0.42 0.21 -0.77 0.09 -0.23 0.00 0.00 178.00 177.72 1x5l n ASN 38 N -3.47 -4.21 0.00 1.44 3.02 -1.26 -3.66 115.26 107.12 1x5l n ASN 38 Ca -0.00 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1x5l n ASN 38 Cb 0.39 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 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 -1.68 3.77 3.71 7.41 0.00 -1.26 -4.65 105.19 112.49 1x5l n GLY 39 Ca -0.01 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.48 2.42 -0.49 -0.61 1.09 -1.26 -4.95 121.20 114.92 1x5l s ILE 40 Ca 0.00 0.23 -0.21 0.00 -1.10 0.00 0.00 60.65 59.57 1x5l s ILE 40 Cb 0.00 -3.15 0.04 0.00 -1.06 0.00 0.00 42.46 38.30 1x5l s ILE 40 CO 0.00 0.01 0.69 -0.63 -0.10 0.00 0.00 174.94 174.92 1x5l s ILE 41 N 1.55 4.76 0.12 2.92 1.01 -1.26 -4.54 121.20 125.76 1x5l s ILE 41 Ca 0.74 -0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.93 1x5l s ILE 41 Cb -0.46 -4.32 -0.10 0.00 0.01 0.00 0.00 42.46 37.60 1x5l s ILE 41 CO 0.32 -0.80 1.58 -0.07 0.00 0.00 0.00 174.94 175.97 1x5l h LEU 42 N 9.95 -1.34 -8.10 2.97 3.38 -1.86 -3.47 115.31 116.85 1x5l h LEU 42 Ca -0.27 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x5l h LEU 42 Cb 1.09 0.51 -0.06 0.00 0.09 0.00 0.00 40.66 42.30 1x5l h LEU 42 CO 0.97 -0.48 0.11 -1.83 0.09 0.00 0.00 178.44 177.29 1x5l s GLU 43 N -5.87 1.80 -0.18 1.13 -1.05 -1.25 -4.86 118.70 108.41 1x5l s GLU 43 Ca -0.16 -1.19 -0.03 0.00 -0.15 0.00 0.00 54.97 53.45 1x5l s GLU 43 Cb 0.08 0.56 -0.01 0.00 -0.44 0.00 0.00 34.13 34.32 1x5l s GLU 43 CO 0.63 -0.80 -0.07 0.71 0.95 0.00 0.00 175.26 176.68 1x5l s TYR 44 N -3.63 2.93 -0.15 4.83 1.51 0.58 -2.69 117.35 120.72 1x5l s TYR 44 Ca 0.16 -0.73 -0.19 0.00 -1.01 0.00 0.00 57.07 55.30 1x5l s TYR 44 Cb -0.04 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1x5l s TYR 44 CO 0.09 -0.35 0.54 -2.00 -1.11 0.00 0.00 175.55 172.73 1x5l s GLU 45 N 0.92 4.28 -0.11 -0.62 2.12 -0.65 -1.43 118.70 123.21 1x5l s GLU 45 Ca -0.01 0.52 -0.01 0.00 0.36 0.00 0.00 54.97 55.83 1x5l s GLU 45 Cb -0.15 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1x5l s GLU 45 CO 0.01 -0.02 -0.07 0.42 -0.54 0.00 0.00 175.26 175.05 1x5l s ILE 46 N 1.20 3.67 -0.19 -3.70 1.01 0.11 -1.81 121.20 121.50 1x5l s ILE 46 Ca 0.27 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1x5l s ILE 46 Cb -0.16 -2.54 0.04 0.00 0.01 0.00 0.00 42.46 39.81 1x5l s ILE 46 CO 0.11 0.55 -0.11 -0.75 0.00 0.00 0.00 174.94 174.74 1x5l s LYS 47 N -0.26 2.10 -0.02 2.79 2.20 -0.74 -0.07 119.74 125.75 1x5l s LYS 47 Ca 0.04 -0.77 0.06 0.00 -0.36 0.00 0.00 55.97 54.94 1x5l s LYS 47 Cb -0.13 -2.33 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 1x5l s LYS 47 CO 0.03 -0.38 -0.19 1.52 -0.36 0.00 0.00 175.35 175.97 1x5l s TYR 48 N 1.42 1.70 0.29 4.03 1.13 -1.03 -1.23 117.35 123.66 1x5l s TYR 48 Ca 0.00 -0.34 -0.12 0.00 -1.41 0.00 0.00 57.07 55.20 1x5l s TYR 48 Cb -0.15 -1.10 0.01 0.00 -1.10 0.00 0.00 41.96 39.62 1x5l s TYR 48 CO -0.09 -0.04 0.56 1.52 -2.51 0.00 0.00 175.55 174.98 1x5l s TYR 49 N -0.39 0.39 -0.35 -3.49 -0.85 -1.20 -3.37 117.35 108.09 1x5l s TYR 49 Ca 0.06 -0.79 -0.29 0.00 -0.52 0.00 0.00 57.07 55.53 1x5l s TYR 49 Cb -0.08 0.30 0.01 0.00 0.38 0.00 0.00 41.96 42.58 1x5l s TYR 49 CO -0.00 -1.14 1.21 -1.21 -1.52 0.00 0.00 175.55 172.88 1x5l s GLU 50 N -3.55 3.90 0.39 -3.49 2.02 -1.26 -1.05 118.70 115.65 1x5l s GLU 50 Ca 0.22 1.03 0.18 0.00 0.02 0.00 0.00 54.97 56.42 1x5l s GLU 50 Cb -0.02 -3.85 0.77 0.00 0.10 0.00 0.00 34.13 31.13 1x5l s GLU 50 CO 0.11 -1.14 1.79 1.57 0.02 0.00 0.00 175.26 177.61 1x5l h LYS 51 N 9.01 0.00 0.07 1.61 5.09 -1.88 1.74 116.57 132.21 1x5l h LYS 51 Ca -0.24 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.26 1x5l h LYS 51 Cb 1.08 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.43 1x5l h LYS 51 CO 1.06 0.36 -1.00 -0.44 -2.09 0.00 0.00 179.45 177.33 1x5l h ASP 52 N 0.00 0.75 0.00 7.07 5.19 -1.90 -3.38 116.42 124.15 1x5l h ASP 52 Ca -0.00 -0.81 -0.27 0.00 -0.62 0.00 0.00 57.03 55.33 1x5l h ASP 52 Cb 0.79 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 1x5l h ASP 52 CO 0.05 1.48 -1.50 0.29 -3.12 0.00 0.00 179.24 176.43 1x5l n LYS 53 N -3.95 0.56 -3.06 3.56 4.76 -1.17 -5.02 118.16 113.84 1x5l n LYS 53 Ca -0.13 0.49 -0.13 0.00 -2.87 0.00 0.00 58.31 55.68 1x5l n LYS 53 Cb 0.87 -1.68 0.05 0.00 -1.84 0.00 0.00 35.03 32.44 1x5l n LYS 53 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1x5l n GLU 54 N -4.40 -4.52 -0.40 1.97 2.13 0.59 -5.00 120.64 111.00 1x5l n GLU 54 Ca -0.35 0.50 -0.19 0.00 0.66 0.00 0.00 57.16 57.78 1x5l n GLU 54 Cb 0.70 -4.52 0.18 0.00 0.27 0.00 0.00 31.44 28.06 1x5l n GLU 54 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x5l n MET 55 N -3.10 -2.34 -0.01 5.31 0.00 -1.26 -5.00 117.12 110.72 1x5l n MET 55 Ca -0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 57.70 56.74 1x5l n MET 55 Cb 0.56 -1.53 -0.00 0.00 0.00 0.00 0.00 33.22 32.24 1x5l n MET 55 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 1x5l h GLN 56 N 0.00 0.00 -5.77 3.17 1.08 -2.00 -3.45 115.11 108.15 1x5l h GLN 56 Ca -0.24 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.46 1x5l h GLN 56 Cb 0.82 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.25 1x5l h GLN 56 CO 0.15 0.00 1.55 0.45 -0.95 0.00 0.00 178.83 180.02 1x5l s SER 57 N -3.81 4.80 0.18 1.46 0.15 -1.26 -4.95 113.70 110.27 1x5l s SER 57 Ca -0.02 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1x5l s SER 57 Cb 0.00 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1x5l s SER 57 CO 0.03 -2.60 0.35 -0.72 1.20 0.00 0.00 173.24 171.49 1x5l s TYR 58 N 10.83 3.49 -0.12 3.44 1.13 -1.26 -5.08 117.35 129.77 1x5l s TYR 58 Ca 0.92 0.26 -0.13 0.00 -1.41 0.00 0.00 57.07 56.71 1x5l s TYR 58 Cb -0.19 -1.79 -0.05 0.00 -1.10 0.00 0.00 41.96 38.84 1x5l s TYR 58 CO 0.27 0.43 0.29 -1.12 -2.51 0.00 0.00 175.55 172.92 1x5l s SER 59 N -3.15 6.50 0.06 -0.18 0.01 -1.22 -5.02 113.70 110.70 1x5l s SER 59 Ca 0.37 0.59 0.06 0.00 1.31 0.00 0.00 55.95 58.29 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 0.19 -0.13 -0.89 0.41 0.00 0.00 173.24 173.11 1x5l s THR 60 N -0.06 3.20 -0.05 1.44 2.01 -1.26 -2.46 115.64 118.45 1x5l s THR 60 Ca 0.18 -1.13 0.03 0.00 0.31 0.00 0.00 61.69 61.08 1x5l s THR 60 Cb -0.14 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.96 1x5l s THR 60 CO 0.06 0.26 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.88 1x5l s LEU 61 N -1.73 1.83 -0.22 4.42 2.96 0.91 -4.96 118.68 121.89 1x5l s LEU 61 Ca 0.18 -0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 53.64 1x5l s LEU 61 Cb -0.11 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.61 1x5l s LEU 61 CO 0.09 0.11 0.16 -0.54 -1.32 0.00 0.00 176.35 174.84 1x5l s LYS 62 N 0.28 4.13 -0.08 1.98 3.01 -1.26 0.10 119.74 127.90 1x5l s LYS 62 Ca -0.08 -0.22 0.02 0.00 -1.01 0.00 0.00 55.97 54.67 1x5l s LYS 62 Cb -0.13 -3.48 0.01 0.00 -1.01 0.00 0.00 37.83 33.22 1x5l s LYS 62 CO 0.03 0.17 -0.13 0.00 0.51 0.00 0.00 175.35 175.93 1x5l s ALA 63 N 0.73 1.40 0.07 5.17 0.00 -0.52 -4.99 121.76 123.62 1x5l s ALA 63 Ca 0.08 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 1x5l s ALA 63 Cb -0.12 -0.66 -0.27 0.00 0.00 0.00 0.00 23.12 22.06 1x5l s ALA 63 CO 0.02 0.04 1.10 -0.39 0.00 0.00 0.00 175.76 176.53 1x5l h VAL 64 N 5.97 1.46 -1.34 0.00 -1.51 -1.89 0.17 116.25 119.10 1x5l h VAL 64 Ca -0.30 -3.06 -0.45 0.00 -1.23 0.00 0.00 66.70 61.66 1x5l h VAL 64 Cb 1.18 2.90 0.03 0.00 -2.13 0.00 0.00 31.29 33.27 1x5l h VAL 64 CO 0.47 0.88 -0.16 0.28 -1.23 0.00 0.00 177.57 177.82 1x5l s THR 65 N -2.65 2.61 -2.00 7.19 -1.32 -1.26 -4.74 115.64 113.47 1x5l s THR 65 Ca -0.04 -0.95 0.04 0.00 -1.21 0.00 0.00 61.69 59.53 1x5l s THR 65 Cb 0.07 -2.66 0.11 0.00 -1.51 0.00 0.00 72.50 68.51 1x5l s THR 65 CO 0.87 0.00 1.09 0.35 -2.21 0.00 0.00 174.62 174.72 1x5l n THR 66 N -2.09 0.00 -3.90 5.08 -2.24 -1.26 -4.63 114.28 105.24 1x5l n THR 66 Ca 0.11 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.63 1x5l n THR 66 Cb 0.60 -0.10 -0.17 0.00 -2.10 0.00 0.00 70.33 68.56 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 1.46 0.04 -0.78 0.52 -1.26 -3.34 118.95 113.59 1x5l s ARG 67 Ca 0.06 -0.26 -0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1x5l s ARG 67 Cb 0.03 -1.59 -0.03 0.00 0.52 0.00 0.00 34.95 33.88 1x5l s ARG 67 CO 0.05 -0.29 -0.04 0.00 0.02 0.00 0.00 175.30 175.04 1x5l s ALA 68 N 1.72 0.38 -0.23 2.13 0.00 -1.23 -4.90 121.76 119.62 1x5l s ALA 68 Ca 0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 1x5l s ALA 68 Cb -0.13 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.24 1x5l s ALA 68 CO -0.08 -0.23 0.01 0.99 0.00 0.00 0.00 175.76 176.45 1x5l s THR 69 N -2.54 0.98 -0.24 0.00 2.01 -1.26 -1.84 115.64 112.75 1x5l s THR 69 Ca -0.05 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 60.71 1x5l s THR 69 Cb -0.02 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1x5l s THR 69 CO -0.05 -0.23 1.50 -0.69 -0.69 0.00 0.00 174.62 174.46 1x5l s VAL 70 N 1.63 3.86 0.24 3.82 1.01 0.26 -4.84 120.40 126.40 1x5l s VAL 70 Ca -0.01 0.98 0.09 0.00 0.00 0.00 0.00 61.98 63.04 1x5l s VAL 70 Cb -0.18 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1x5l s VAL 70 CO -0.09 -0.34 0.01 -0.55 0.00 0.00 0.00 175.10 174.12 1x5l s SER 71 N 3.62 4.64 0.00 3.32 0.15 -1.26 -1.94 113.70 122.23 1x5l s SER 71 Ca 0.66 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1x5l s SER 71 Cb -0.22 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 1x5l s SER 71 CO 0.26 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1x5l n GLY 72 N -0.70 0.98 3.91 9.45 0.00 -0.97 -5.03 105.19 112.83 1x5l n GLY 72 Ca -0.07 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.53 3.10 -0.12 0.99 1.43 -1.10 -5.09 118.68 117.36 1x5l s LEU 73 Ca 0.00 -0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 52.09 1x5l s LEU 73 Cb 0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1x5l s LEU 73 CO 0.00 -0.91 0.11 -0.54 0.23 0.00 0.00 176.35 175.24 1x5l s LYS 74 N -4.26 3.41 0.58 1.70 1.02 -1.26 -4.65 119.74 116.28 1x5l s LYS 74 Ca 0.45 -0.20 -0.18 0.00 0.02 0.00 0.00 55.97 56.06 1x5l s LYS 74 Cb -0.03 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1x5l s LYS 74 CO 0.27 0.72 1.12 -1.25 -0.92 0.00 0.00 175.35 175.29 1x5l s PRO 75 N -0.87 3.19 -1.50 -1.68 0.04 -1.26 -3.54 135.00 129.39 1x5l s PRO 75 Ca 0.14 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1x5l s PRO 75 Cb -0.12 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.50 1x5l s PRO 75 CO 0.03 -0.96 1.02 0.41 0.04 0.00 0.00 177.00 177.53 1x5l n GLY 76 N -0.03 -0.51 2.73 0.56 0.00 -1.22 -4.72 105.19 102.00 1x5l n GLY 76 Ca 0.11 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.29 -0.28 0.59 2.61 2.01 -1.23 -4.98 115.64 111.07 1x5l s THR 77 Ca 0.65 -0.09 -0.19 0.00 0.31 0.00 0.00 61.69 62.36 1x5l s THR 77 Cb -0.32 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1x5l s THR 77 CO 0.80 -0.20 1.13 0.54 -0.69 0.00 0.00 174.62 176.20 1x5l n ARG 78 N 5.31 1.15 -3.97 4.92 1.74 -1.26 -4.17 116.66 120.38 1x5l n ARG 78 Ca -0.06 0.44 -0.16 0.00 -0.77 0.00 0.00 57.85 57.30 1x5l n ARG 78 Cb 0.49 -2.33 -0.16 0.00 -1.02 0.00 0.00 32.46 29.45 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 -1.42 0.32 -0.56 -1.55 2.02 0.10 -3.04 117.35 113.23 1x5l s TYR 79 Ca 0.76 -0.02 -0.19 0.00 -0.37 0.00 0.00 57.07 57.24 1x5l s TYR 79 Cb -0.42 -0.37 0.08 0.00 -0.40 0.00 0.00 41.96 40.86 1x5l s TYR 79 CO 0.47 -0.10 0.68 0.08 -1.57 0.00 0.00 175.55 175.10 1x5l s VAL 80 N 0.75 4.82 0.45 0.71 1.01 -0.22 -2.44 120.40 125.49 1x5l s VAL 80 Ca -0.08 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 1x5l s VAL 80 Cb -0.11 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1x5l s VAL 80 CO -0.01 -1.01 0.80 -0.36 0.00 0.00 0.00 175.10 174.52 1x5l s PHE 81 N 2.71 3.51 -0.27 5.22 0.40 -0.90 -3.25 117.98 125.40 1x5l s PHE 81 Ca 0.13 1.01 -0.01 0.00 -0.60 0.00 0.00 56.93 57.46 1x5l s PHE 81 Cb -0.22 -2.43 0.16 0.00 0.51 0.00 0.00 43.02 41.04 1x5l s PHE 81 CO 0.09 -0.21 0.48 -0.65 0.70 0.00 0.00 175.22 175.63 1x5l s GLN 82 N -4.21 0.45 0.01 0.44 -0.21 -0.37 -3.02 119.66 112.75 1x5l s GLN 82 Ca 0.51 0.68 -0.16 0.00 0.02 0.00 0.00 55.36 56.41 1x5l s GLN 82 Cb -0.10 -0.02 -0.06 0.00 1.00 0.00 0.00 33.01 33.83 1x5l s GLN 82 CO 0.37 -0.69 0.44 0.08 -2.12 0.00 0.00 175.29 173.36 1x5l s VAL 83 N 2.68 4.99 0.04 1.09 1.01 -1.26 -1.79 120.40 127.16 1x5l s VAL 83 Ca 0.15 0.91 -0.05 0.00 0.00 0.00 0.00 61.98 62.99 1x5l s VAL 83 Cb -0.15 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1x5l s VAL 83 CO -0.20 0.56 0.09 0.00 0.00 0.00 0.00 175.10 175.56 1x5l s ARG 84 N -1.00 0.57 -0.11 2.72 1.70 -0.75 -0.57 118.95 121.51 1x5l s ARG 84 Ca 0.25 -0.74 -0.08 0.00 -0.47 0.00 0.00 55.73 54.69 1x5l s ARG 84 Cb -0.17 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.39 1x5l s ARG 84 CO 0.14 -0.14 0.17 0.00 -1.08 0.00 0.00 175.30 174.39 1x5l s ALA 85 N -2.53 3.85 -0.12 7.88 0.00 -1.26 -1.63 121.76 127.95 1x5l s ALA 85 Ca -0.06 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1x5l s ALA 85 Cb -0.02 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.10 1x5l s ALA 85 CO -0.04 0.59 -0.18 0.50 0.00 0.00 0.00 175.76 176.62 1x5l s ARG 86 N -0.98 2.59 0.24 0.00 3.52 -1.09 -3.25 118.95 119.97 1x5l s ARG 86 Ca 0.16 -0.70 0.10 0.00 -0.13 0.00 0.00 55.73 55.16 1x5l s ARG 86 Cb -0.12 -2.15 -0.05 0.00 -1.56 0.00 0.00 34.95 31.07 1x5l s ARG 86 CO 0.05 -0.04 -0.19 0.95 -0.81 0.00 0.00 175.30 175.25 1x5l s THR 87 N 0.92 2.20 0.20 4.11 -4.23 -1.08 -2.52 115.64 115.24 1x5l s THR 87 Ca -0.07 -2.25 -0.10 0.00 -1.18 0.00 0.00 61.69 58.09 1x5l s THR 87 Cb -0.15 -2.16 0.13 0.00 1.34 0.00 0.00 72.50 71.66 1x5l s THR 87 CO -0.02 -0.40 1.79 -1.28 -0.54 0.00 0.00 174.62 174.17 1x5l h SER 88 N 2.58 0.44 -0.40 3.99 0.87 -1.99 -2.36 113.55 116.69 1x5l h SER 88 Ca -0.41 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.27 1x5l h SER 88 Cb 1.24 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 63.09 1x5l h SER 88 CO 0.58 0.28 -0.05 0.00 -0.53 0.00 0.00 176.83 177.11 1x5l h ALA 89 N 1.34 0.32 -3.00 6.23 0.00 -1.94 -3.48 119.26 118.73 1x5l h ALA 89 Ca 0.28 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1x5l h ALA 89 Cb 0.22 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x5l h ALA 89 CO -0.20 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.03 1x5l n GLY 90 N -1.29 1.60 3.49 0.00 0.00 -0.89 -4.86 105.19 103.25 1x5l n GLY 90 Ca 0.02 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.34 3.66 3.47 0.00 0.00 -1.20 -4.49 105.19 106.28 1x5l n GLY 92 Ca -0.02 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 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 4.75 1.64 0.20 1.61 0.52 -1.26 -5.01 118.95 121.40 1x5l s ARG 93 Ca 0.00 -1.84 -0.27 0.00 -0.52 0.00 0.00 55.73 53.10 1x5l s ARG 93 Cb 0.00 -1.33 -0.08 0.00 0.52 0.00 0.00 34.95 34.06 1x5l s ARG 93 CO 0.00 0.07 0.85 -0.06 0.02 0.00 0.00 175.30 176.17 1x5l s PHE 94 N -2.89 3.93 1.34 -0.53 0.08 -1.26 -4.45 117.98 114.20 1x5l s PHE 94 Ca 0.31 1.75 -0.21 0.00 0.12 0.00 0.00 56.93 58.90 1x5l s PHE 94 Cb 0.03 -2.86 0.33 0.00 -0.57 0.00 0.00 43.02 39.95 1x5l s PHE 94 CO 0.13 0.48 0.76 -1.13 -0.10 0.00 0.00 175.22 175.36 1x5l n SER 95 N 1.48 -3.63 -4.76 1.36 3.41 0.26 -4.87 113.62 106.88 1x5l n SER 95 Ca -0.04 -0.67 -0.41 0.00 -0.26 0.00 0.00 58.87 57.49 1x5l n SER 95 Cb 0.48 -0.99 -0.02 0.00 -0.26 0.00 0.00 64.21 63.43 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 -4.62 4.28 -0.51 4.33 -0.21 -1.25 -4.78 119.66 116.90 1x5l s GLN 96 Ca 0.61 2.32 -0.28 0.00 0.02 0.00 0.00 55.36 58.03 1x5l s GLN 96 Cb -0.13 -3.06 -0.09 0.00 1.00 0.00 0.00 33.01 30.73 1x5l s GLN 96 CO 0.53 -0.33 2.41 0.00 -2.12 0.00 0.00 175.29 175.79 1x5l n ALA 97 N 1.17 0.88 -2.72 6.09 0.00 -1.26 -4.81 120.51 119.84 1x5l n ALA 97 Ca 0.02 -0.70 -0.37 0.00 0.00 0.00 0.00 53.44 52.39 1x5l n ALA 97 Cb 0.41 -3.00 -0.07 0.00 0.00 0.00 0.00 19.45 16.79 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 7.97 4.29 -0.23 0.00 1.75 -1.17 -4.99 119.30 126.92 1x5l s MET 98 Ca 1.04 0.24 -0.09 0.00 -1.25 0.00 0.00 55.69 55.63 1x5l s MET 98 Cb -0.39 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 33.81 1x5l s MET 98 CO 0.32 0.21 0.10 -1.21 -0.65 0.00 0.00 175.02 173.79 1x5l s GLU 99 N 0.52 3.87 -0.03 4.11 2.02 -1.26 -2.12 118.70 125.82 1x5l s GLU 99 Ca 0.20 -0.37 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 1x5l s GLU 99 Cb -0.14 -3.39 0.01 0.00 0.10 0.00 0.00 34.13 30.72 1x5l s GLU 99 CO 0.06 -0.00 0.06 0.08 0.02 0.00 0.00 175.26 175.48 1x5l s VAL 100 N 1.17 -0.01 0.11 2.63 1.01 -1.02 -4.99 120.40 119.30 1x5l s VAL 100 Ca 0.05 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1x5l s VAL 100 Cb -0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1x5l s VAL 100 CO 0.04 0.01 -0.03 -0.70 0.00 0.00 0.00 175.10 174.42 1x5l s GLU 101 N 0.22 2.38 0.47 2.72 2.12 -1.26 0.02 118.70 125.36 1x5l s GLU 101 Ca -0.02 -0.96 0.06 0.00 0.36 0.00 0.00 54.97 54.42 1x5l s GLU 101 Cb -0.02 -2.43 0.02 0.00 0.26 0.00 0.00 34.13 31.96 1x5l s GLU 101 CO -0.01 0.51 0.65 0.95 -0.54 0.00 0.00 175.26 176.82 1x5l s THR 102 N -1.36 2.87 -0.09 -1.70 -4.23 -1.26 -4.95 115.64 104.92 1x5l s THR 102 Ca 0.25 -0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 59.58 1x5l s THR 102 Cb -0.11 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.68 1x5l s THR 102 CO 0.17 0.00 1.85 -0.83 -0.54 0.00 0.00 174.62 175.27 1x5l s GLY 103 N -4.38 1.26 0.59 3.99 0.00 -0.90 -3.66 107.32 104.21 1x5l s GLY 103 Ca 0.56 0.94 -0.19 0.00 0.00 0.00 0.00 44.72 46.03 1x5l s GLY 103 CO 0.35 3.31 0.87 0.28 0.00 0.00 0.00 173.10 177.91 1x5l n LYS 104 N 7.67 0.83 -0.11 2.90 5.02 -1.26 -3.41 118.16 129.80 1x5l n LYS 104 Ca 0.21 0.32 -0.13 0.00 -2.02 0.00 0.00 58.31 56.69 1x5l n LYS 104 Cb 0.43 -2.06 -0.03 0.00 -0.02 0.00 0.00 35.03 33.35 1x5l n LYS 104 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1x5l h PRO 105 N 0.48 0.84 -0.98 1.97 0.13 -1.92 -3.25 132.00 129.27 1x5l h PRO 105 Ca -0.48 -0.44 0.19 0.00 -0.87 0.00 0.00 66.00 64.40 1x5l h PRO 105 Cb 1.37 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.33 1x5l h PRO 105 CO 0.50 1.08 -0.26 0.77 -0.23 0.00 0.00 178.00 179.87 1x5l h SER 106 N 0.64 -0.96 -3.63 1.44 0.02 -1.99 -3.43 113.55 105.64 1x5l h SER 106 Ca 0.06 0.29 -0.26 0.00 -0.84 0.00 0.00 61.79 61.04 1x5l h SER 106 Cb 0.92 0.62 -0.06 0.00 0.14 0.00 0.00 62.40 64.03 1x5l h SER 106 CO 0.08 -0.32 -0.21 0.61 -1.14 0.00 0.00 176.83 175.85 1x5l n GLY 107 N -1.61 3.76 0.07 -3.77 0.00 -1.23 -5.08 105.19 97.33 1x5l n GLY 107 Ca 0.15 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 1x5l n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5l h PRO 108 N 0.00 -0.03 -5.76 1.61 0.13 -1.83 -3.42 132.00 122.70 1x5l h PRO 108 Ca -0.15 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.49 1x5l h PRO 108 Cb 0.55 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 31.51 1x5l h PRO 108 CO 0.25 0.44 -0.77 -1.12 -0.23 0.00 0.00 178.00 176.56 1x5l s SER 109 N -5.64 2.45 -0.09 1.44 0.01 -1.26 -4.70 113.70 105.90 1x5l s SER 109 Ca -0.16 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.25 1x5l s SER 109 Cb 0.02 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.15 1x5l s SER 109 CO 0.66 -0.07 -0.02 -0.94 0.41 0.00 0.00 173.24 173.27 1x5l s SER 110 N -2.60 1.87 0.00 2.44 1.04 -1.26 -4.77 113.70 110.42 1x5l s SER 110 Ca 0.13 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1x5l s SER 110 Cb -0.05 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1x5l s SER 110 CO 0.05 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.71