#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 0.36 -1.94 1.61 0.02 -2.13 -3.45 113.55 108.02 1x5l h SER 2 Ca 0.00 -0.41 -0.44 0.00 -0.84 0.00 0.00 61.79 60.11 1x5l h SER 2 Cb 0.00 -0.10 0.04 0.00 0.14 0.00 0.00 62.40 62.48 1x5l h SER 2 CO 0.00 0.68 -0.11 -0.44 -1.14 0.00 0.00 176.83 175.82 1x5l s SER 3 N -6.00 5.32 -0.34 3.07 0.01 -1.26 -5.10 113.70 109.40 1x5l s SER 3 Ca -0.14 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1x5l s SER 3 Cb 0.06 -0.62 0.14 0.00 0.21 0.00 0.00 66.02 65.81 1x5l s SER 3 CO 0.74 -1.08 0.25 -0.83 0.41 0.00 0.00 173.24 172.73 1x5l s GLY 4 N -4.45 0.50 0.08 3.44 0.00 -1.26 -5.12 107.32 100.51 1x5l s GLY 4 Ca 0.58 -1.41 -0.28 0.00 0.00 0.00 0.00 44.72 43.61 1x5l s GLY 4 CO 0.37 2.30 0.87 -0.45 0.00 0.00 0.00 173.10 176.19 1x5l s SER 5 N 1.41 7.37 0.82 1.64 0.15 -1.26 -5.03 113.70 118.80 1x5l s SER 5 Ca 0.16 1.64 -0.13 0.00 0.70 0.00 0.00 55.95 58.31 1x5l s SER 5 Cb -0.19 -2.53 0.08 0.00 -1.71 0.00 0.00 66.02 61.66 1x5l s SER 5 CO -0.08 -0.03 1.12 -1.54 1.20 0.00 0.00 173.24 173.91 1x5l n SER 6 N 2.80 0.69 -3.15 5.45 3.41 -1.26 -5.03 113.62 116.53 1x5l n SER 6 Ca 0.00 0.56 0.04 0.00 -0.26 0.00 0.00 58.87 59.22 1x5l n SER 6 Cb 0.50 -1.48 -0.01 0.00 -0.26 0.00 0.00 64.21 62.96 1x5l n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5l s GLY 7 N -2.12 -0.79 0.89 5.00 0.00 -1.26 -5.16 107.32 103.89 1x5l s GLY 7 Ca 0.72 2.15 -0.12 0.00 0.00 0.00 0.00 44.72 47.47 1x5l s GLY 7 CO 0.53 3.53 0.86 -1.06 0.00 0.00 0.00 173.10 176.95 1x5l n GLN 8 N 5.44 -0.21 -2.08 2.90 1.13 -1.26 -4.90 117.38 118.40 1x5l n GLN 8 Ca -0.03 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.62 1x5l n GLN 8 Cb 0.52 -2.17 -0.03 0.00 0.11 0.00 0.00 30.24 28.67 1x5l n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x5l s ALA 9 N -2.39 3.60 0.96 -1.58 0.00 -1.26 -4.84 121.76 116.26 1x5l s ALA 9 Ca 0.65 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 53.73 1x5l s ALA 9 Cb -0.25 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.37 1x5l s ALA 9 CO 0.60 -0.67 0.36 0.00 0.00 0.00 0.00 175.76 176.04 1x5l n ALA 10 N 2.63 -2.75 -1.00 0.00 0.00 -1.26 -4.70 120.51 113.43 1x5l n ALA 10 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1x5l n ALA 10 Cb 0.41 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1x5l n ALA 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x5l n PRO 11 N -1.63 0.02 -3.61 0.00 -0.04 -1.25 -4.55 135.00 123.94 1x5l n PRO 11 Ca 0.06 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 1x5l n PRO 11 Cb 0.54 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 1x5l n PRO 11 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5l s SER 12 N -1.51 4.98 -0.35 3.54 0.15 -1.25 -4.75 113.70 114.51 1x5l s SER 12 Ca 0.00 -0.81 -0.11 0.00 0.70 0.00 0.00 55.95 55.73 1x5l s SER 12 Cb 0.00 -0.46 0.01 0.00 -1.71 0.00 0.00 66.02 63.86 1x5l s SER 12 CO 0.00 -0.70 0.19 -1.58 1.20 0.00 0.00 173.24 172.35 1x5l s GLN 13 N -4.14 3.06 0.06 5.44 0.74 -1.26 -4.45 119.66 119.10 1x5l s GLN 13 Ca 0.47 -0.92 -0.35 0.00 0.05 0.00 0.00 55.36 54.61 1x5l s GLN 13 Cb -0.03 -3.68 -0.14 0.00 1.10 0.00 0.00 33.01 30.26 1x5l s GLN 13 CO 0.27 -0.58 1.61 0.28 -0.55 0.00 0.00 175.29 176.32 1x5l n VAL 14 N 5.01 0.15 -0.80 1.34 0.31 -1.26 -4.84 118.33 118.23 1x5l n VAL 14 Ca -0.13 -0.03 0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1x5l n VAL 14 Cb 0.47 -1.46 0.16 0.00 -0.91 0.00 0.00 33.84 32.11 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 3.72 1.81 -3.88 2.52 0.24 -1.26 -4.12 118.33 117.36 1x5l n VAL 15 Ca 0.19 -1.82 -0.30 0.00 -2.04 0.00 0.00 64.34 60.37 1x5l n VAL 15 Cb 0.26 -0.06 -0.16 0.00 -1.47 0.00 0.00 33.84 32.41 1x5l n VAL 15 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1x5l s VAL 16 N -2.40 1.25 -0.01 3.34 1.01 -1.26 -4.98 120.40 117.34 1x5l s VAL 16 Ca 0.30 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1x5l s VAL 16 Cb 0.25 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1x5l s VAL 16 CO 0.06 -0.18 0.04 -0.63 0.00 0.00 0.00 175.10 174.39 1x5l s ILE 17 N 1.51 0.01 0.23 2.22 1.01 -1.25 -3.39 121.20 121.54 1x5l s ILE 17 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1x5l s ILE 17 Cb -0.18 -0.09 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 1x5l s ILE 17 CO -0.08 -0.04 0.15 -0.13 0.00 0.00 0.00 174.94 174.84 1x5l s ARG 18 N -0.09 1.31 -0.31 2.79 0.52 0.40 -4.92 118.95 118.65 1x5l s ARG 18 Ca -0.01 -1.71 0.02 0.00 -0.52 0.00 0.00 55.73 53.52 1x5l s ARG 18 Cb -0.01 0.22 0.08 0.00 0.52 0.00 0.00 34.95 35.76 1x5l s ARG 18 CO 0.00 -0.42 -0.00 -1.14 0.02 0.00 0.00 175.30 173.76 1x5l s GLN 19 N -4.04 1.92 0.06 3.54 0.74 -1.26 -0.09 119.66 120.52 1x5l s GLN 19 Ca 0.39 -1.60 -0.20 0.00 0.05 0.00 0.00 55.36 54.00 1x5l s GLN 19 Cb 0.06 -3.12 -0.12 0.00 1.10 0.00 0.00 33.01 30.93 1x5l s GLN 19 CO 0.15 -0.77 1.41 0.93 -0.55 0.00 0.00 175.29 176.45 1x5l h GLU 20 N 7.75 0.38 -2.77 1.67 4.39 -1.68 -3.47 114.58 120.86 1x5l h GLU 20 Ca -0.12 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.31 1x5l h GLU 20 Cb 1.03 -0.01 -0.20 0.00 -0.10 0.00 0.00 28.75 29.47 1x5l h GLU 20 CO 0.51 0.68 -0.17 -0.98 -1.16 0.00 0.00 179.01 177.90 1x5l s ARG 21 N -4.58 0.73 -0.11 2.33 1.70 -1.24 -4.99 118.95 112.78 1x5l s ARG 21 Ca -0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 55.73 55.11 1x5l s ARG 21 Cb 0.06 0.33 0.03 0.00 -0.57 0.00 0.00 34.95 34.81 1x5l s ARG 21 CO 0.75 -0.20 -0.04 0.00 -1.08 0.00 0.00 175.30 174.73 1x5l s ALA 22 N -1.11 1.12 0.00 7.88 0.00 -1.26 -0.24 121.76 128.15 1x5l s ALA 22 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1x5l s ALA 22 Cb -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1x5l s ALA 22 CO 0.05 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1x5l n GLY 23 N 5.01 5.46 0.06 0.00 0.00 0.10 -4.72 105.19 111.11 1x5l n GLY 23 Ca -0.10 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 1x5l n GLY 23 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x5l h GLN 24 N 0.00 -0.13 -0.28 1.61 4.20 -1.93 0.30 115.11 118.88 1x5l h GLN 24 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1x5l h GLN 24 Cb 0.00 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1x5l h GLN 24 CO 0.00 -0.09 0.00 0.25 -0.67 0.00 0.00 178.83 178.32 1x5l n THR 25 N -3.03 1.95 -4.06 -0.54 -2.24 -1.26 -3.78 114.28 101.32 1x5l n THR 25 Ca -0.02 -1.65 -0.13 0.00 -2.27 0.00 0.00 64.05 59.98 1x5l n THR 25 Cb 0.05 -0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.69 0.65 -0.19 3.42 1.04 -1.26 -0.57 113.70 115.11 1x5l s SER 26 Ca 0.37 -0.40 -0.10 0.00 0.48 0.00 0.00 55.95 56.31 1x5l s SER 26 Cb 0.28 0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.49 1x5l s SER 26 CO 0.11 -0.14 0.44 -0.69 0.98 0.00 0.00 173.24 173.94 1x5l s VAL 27 N -1.01 -0.14 -0.12 5.02 1.01 -0.27 0.02 120.40 124.91 1x5l s VAL 27 Ca -0.07 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 1x5l s VAL 27 Cb -0.07 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1x5l s VAL 27 CO 0.00 0.04 0.20 -0.55 0.00 0.00 0.00 175.10 174.79 1x5l s SER 28 N 1.66 6.44 0.27 3.32 0.15 0.66 -0.18 113.70 126.02 1x5l s SER 28 Ca -0.08 0.53 0.11 0.00 0.70 0.00 0.00 55.95 57.20 1x5l s SER 28 Cb -0.09 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 1x5l s SER 28 CO -0.14 0.32 -0.18 -0.76 1.20 0.00 0.00 173.24 173.69 1x5l s LEU 29 N -0.66 2.59 -0.06 3.45 1.43 -0.69 -1.96 118.68 122.79 1x5l s LEU 29 Ca 0.16 -1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 52.19 1x5l s LEU 29 Cb -0.13 -1.01 0.04 0.00 0.03 0.00 0.00 46.19 45.12 1x5l s LEU 29 CO 0.05 -0.02 0.11 -0.76 0.23 0.00 0.00 176.35 175.95 1x5l s LEU 30 N -3.48 0.24 -0.00 1.79 1.43 0.86 -3.84 118.68 115.69 1x5l s LEU 30 Ca 0.29 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1x5l s LEU 30 Cb -0.03 0.10 -0.00 0.00 0.03 0.00 0.00 46.19 46.29 1x5l s LEU 30 CO 0.14 -0.22 -0.00 -1.66 0.23 0.00 0.00 176.35 174.83 1x5l s TRP 31 N 1.95 0.04 0.53 0.29 -2.14 -1.23 0.15 118.94 118.54 1x5l s TRP 31 Ca 0.01 -0.01 -0.01 0.00 2.66 0.00 0.00 56.10 58.74 1x5l s TRP 31 Cb -0.12 -0.03 0.02 0.00 -3.10 0.00 0.00 33.47 30.24 1x5l s TRP 31 CO -0.04 -0.00 0.79 1.14 -2.66 0.00 0.00 176.95 176.17 1x5l s GLN 32 N -0.02 2.80 0.45 3.25 -2.07 -1.22 -4.77 119.66 118.08 1x5l s GLN 32 Ca 0.00 -0.44 -0.23 0.00 -1.82 0.00 0.00 55.36 52.87 1x5l s GLN 32 Cb -0.00 -2.44 -0.10 0.00 -1.09 0.00 0.00 33.01 29.38 1x5l s GLN 32 CO -0.00 -0.59 0.97 0.39 -1.32 0.00 0.00 175.29 174.74 1x5l n GLU 33 N -2.35 1.22 0.00 9.60 1.02 -1.26 -4.81 120.64 124.06 1x5l n GLU 33 Ca 0.05 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1x5l n GLU 33 Cb 0.58 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1x5l n GLU 33 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1x5l n PRO 34 N -0.01 0.04 -3.81 3.49 -0.04 -1.26 -4.97 135.00 128.45 1x5l n PRO 34 Ca 0.10 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.30 1x5l n PRO 34 Cb 0.41 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.70 1x5l n PRO 34 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1x5l s GLU 35 N -1.42 0.95 -0.74 0.54 -1.05 -1.26 -4.82 118.70 110.90 1x5l s GLU 35 Ca 0.00 -0.23 -0.01 0.00 -0.15 0.00 0.00 54.97 54.58 1x5l s GLU 35 Cb 0.00 -1.61 0.00 0.00 -0.44 0.00 0.00 34.13 32.08 1x5l s GLU 35 CO 0.00 -0.42 0.62 1.04 0.95 0.00 0.00 175.26 177.46 1x5l n GLN 36 N 5.03 -4.15 0.00 -4.83 6.02 -1.26 -4.57 117.38 113.62 1x5l n GLN 36 Ca -0.09 0.51 0.04 0.00 -0.01 0.00 0.00 57.00 57.44 1x5l n GLN 36 Cb 0.49 -4.53 0.21 0.00 1.02 0.00 0.00 30.24 27.43 1x5l n GLN 36 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1x5l n PRO 37 N -2.95 0.49 -3.20 -1.09 -0.04 -1.26 -3.90 135.00 123.06 1x5l n PRO 37 Ca -0.14 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.09 1x5l n PRO 37 Cb 0.59 -1.23 0.03 0.00 -0.04 0.00 0.00 33.50 32.86 1x5l n PRO 37 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x5l n ASN 38 N -0.73 -5.73 0.00 3.54 3.02 -1.26 -3.82 115.26 110.28 1x5l n ASN 38 Ca 0.05 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 1x5l n ASN 38 Cb 0.02 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 34.58 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 -1.54 0.93 3.78 7.41 0.00 -1.26 -4.91 105.19 109.60 1x5l n GLY 39 Ca -0.07 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.00 3.42 -0.25 -0.61 1.09 -1.26 -5.03 121.20 117.56 1x5l s ILE 40 Ca 0.00 0.89 -0.07 0.00 -1.10 0.00 0.00 60.65 60.37 1x5l s ILE 40 Cb 0.00 -3.36 -0.03 0.00 -1.06 0.00 0.00 42.46 38.01 1x5l s ILE 40 CO 0.00 -0.18 0.06 -0.63 -0.10 0.00 0.00 174.94 174.08 1x5l s ILE 41 N -1.84 4.20 0.07 2.92 1.01 -1.26 -4.68 121.20 121.61 1x5l s ILE 41 Ca 0.70 -0.21 -0.33 0.00 0.00 0.00 0.00 60.65 60.82 1x5l s ILE 41 Cb -0.21 -2.96 -0.17 0.00 0.01 0.00 0.00 42.46 39.14 1x5l s ILE 41 CO 0.24 0.35 1.50 -0.07 0.00 0.00 0.00 174.94 176.96 1x5l h LEU 42 N 8.22 -1.17 -8.48 2.97 3.38 -1.91 -3.47 115.31 114.85 1x5l h LEU 42 Ca -0.39 0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.44 1x5l h LEU 42 Cb 1.17 0.36 -0.10 0.00 0.09 0.00 0.00 40.66 42.19 1x5l h LEU 42 CO 0.58 -0.65 -0.26 -1.83 0.09 0.00 0.00 178.44 176.37 1x5l s GLU 43 N -5.57 1.67 0.02 1.13 -1.05 -1.25 -4.79 118.70 108.86 1x5l s GLU 43 Ca -0.16 -1.60 0.08 0.00 -0.15 0.00 0.00 54.97 53.13 1x5l s GLU 43 Cb 0.03 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 1x5l s GLU 43 CO 0.53 -0.67 -0.24 0.71 0.95 0.00 0.00 175.26 176.54 1x5l s TYR 44 N -3.55 2.38 -0.09 4.83 1.51 0.14 -2.41 117.35 120.17 1x5l s TYR 44 Ca 0.30 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 1x5l s TYR 44 Cb 0.01 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1x5l s TYR 44 CO 0.16 0.10 0.03 -2.00 -1.11 0.00 0.00 175.55 172.73 1x5l s GLU 45 N -1.07 3.06 -0.18 -0.62 2.12 -0.43 -1.23 118.70 120.35 1x5l s GLU 45 Ca 0.12 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.09 1x5l s GLU 45 Cb -0.10 -2.86 0.03 0.00 0.26 0.00 0.00 34.13 31.46 1x5l s GLU 45 CO 0.02 0.71 -0.14 0.42 -0.54 0.00 0.00 175.26 175.73 1x5l s ILE 46 N -0.93 1.76 -0.22 -3.70 1.01 -0.16 -1.73 121.20 117.23 1x5l s ILE 46 Ca 0.14 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 1x5l s ILE 46 Cb -0.11 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 1x5l s ILE 46 CO 0.03 0.34 0.01 -0.75 0.00 0.00 0.00 174.94 174.57 1x5l s LYS 47 N 1.38 3.55 -0.07 2.79 2.20 -0.71 -0.86 119.74 128.01 1x5l s LYS 47 Ca 0.02 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1x5l s LYS 47 Cb -0.15 -3.14 0.01 0.00 -1.51 0.00 0.00 37.83 33.05 1x5l s LYS 47 CO -0.10 -0.13 -0.14 1.52 -0.36 0.00 0.00 175.35 176.14 1x5l s TYR 48 N 1.37 1.62 0.16 4.03 1.13 -1.14 -1.33 117.35 123.19 1x5l s TYR 48 Ca 0.05 -0.61 0.00 0.00 -1.41 0.00 0.00 57.07 55.10 1x5l s TYR 48 Cb -0.15 -1.16 -0.04 0.00 -1.10 0.00 0.00 41.96 39.51 1x5l s TYR 48 CO 0.01 -0.30 0.05 1.52 -2.51 0.00 0.00 175.55 174.32 1x5l s TYR 49 N 0.61 1.06 -0.16 -3.49 -0.85 -1.16 -3.19 117.35 110.16 1x5l s TYR 49 Ca -0.15 -1.17 -0.28 0.00 -0.52 0.00 0.00 57.07 54.95 1x5l s TYR 49 Cb -0.16 -0.60 -0.06 0.00 0.38 0.00 0.00 41.96 41.53 1x5l s TYR 49 CO 0.04 -0.40 2.17 -1.21 -1.52 0.00 0.00 175.55 174.63 1x5l s GLU 50 N -4.01 3.34 0.16 -3.49 2.02 -1.21 -1.64 118.70 113.87 1x5l s GLU 50 Ca 0.26 2.15 -0.21 0.00 0.02 0.00 0.00 54.97 57.19 1x5l s GLU 50 Cb 0.07 -4.33 0.07 0.00 0.10 0.00 0.00 34.13 30.04 1x5l s GLU 50 CO 0.04 -1.87 1.62 -0.22 0.02 0.00 0.00 175.26 174.86 1x5l h LYS 51 N 14.13 -0.19 -0.28 1.61 1.63 -1.52 -2.05 116.57 129.90 1x5l h LYS 51 Ca -0.43 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.26 1x5l h LYS 51 Cb 1.24 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1x5l h LYS 51 CO 0.96 -0.13 -0.31 0.22 -3.45 0.00 0.00 179.45 176.73 1x5l h ASP 52 N -0.20 0.76 -3.38 4.20 1.82 -1.90 -3.40 116.42 114.33 1x5l h ASP 52 Ca 0.18 -0.48 -0.73 0.00 -0.39 0.00 0.00 57.03 55.60 1x5l h ASP 52 Cb 0.48 -0.22 -0.24 0.00 0.68 0.00 0.00 39.33 40.03 1x5l h ASP 52 CO -0.48 1.09 -0.39 -0.54 -1.61 0.00 0.00 179.24 177.31 1x5l s LYS 53 N -4.31 2.84 0.20 0.28 -0.14 -0.77 -5.07 119.74 112.76 1x5l s LYS 53 Ca -0.12 -1.35 -0.03 0.00 -1.36 0.00 0.00 55.97 53.11 1x5l s LYS 53 Cb 0.09 -3.98 -0.05 0.00 -1.68 0.00 0.00 37.83 32.21 1x5l s LYS 53 CO 0.83 -0.96 0.42 -1.21 -0.76 0.00 0.00 175.35 173.67 1x5l s GLU 54 N 1.57 3.57 -1.43 1.68 2.02 -1.21 -3.36 118.70 121.53 1x5l s GLU 54 Ca 0.04 -0.20 -0.02 0.00 0.02 0.00 0.00 54.97 54.81 1x5l s GLU 54 Cb -0.23 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1x5l s GLU 54 CO 0.05 0.38 0.20 -1.33 0.02 0.00 0.00 175.26 174.59 1x5l n MET 55 N -0.50 -2.47 -0.01 1.61 2.81 -1.26 -4.93 117.12 112.37 1x5l n MET 55 Ca -0.03 0.82 -0.01 0.00 -1.81 0.00 0.00 57.70 56.67 1x5l n MET 55 Cb 0.53 -5.34 -0.00 0.00 -0.71 0.00 0.00 33.22 27.70 1x5l n MET 55 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1x5l n GLN 56 N -3.01 0.07 -3.21 0.03 1.13 -1.26 -5.02 117.38 106.11 1x5l n GLN 56 Ca -0.17 0.08 -0.01 0.00 -1.94 0.00 0.00 57.00 54.97 1x5l n GLN 56 Cb 0.64 -0.69 -0.03 0.00 0.11 0.00 0.00 30.24 30.28 1x5l n GLN 56 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1x5l s SER 57 N -4.19 -0.86 -0.04 1.08 1.04 -1.26 -5.12 113.70 104.35 1x5l s SER 57 Ca -0.04 0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.60 1x5l s SER 57 Cb 0.01 1.74 -0.04 0.00 0.10 0.00 0.00 66.02 67.82 1x5l s SER 57 CO 0.06 -0.30 0.12 -0.72 0.98 0.00 0.00 173.24 173.37 1x5l s TYR 58 N 2.73 3.43 -0.02 5.02 -0.85 -1.26 -4.60 117.35 121.80 1x5l s TYR 58 Ca 0.13 0.32 0.05 0.00 -0.52 0.00 0.00 57.07 57.06 1x5l s TYR 58 Cb -0.13 -1.81 -0.01 0.00 0.38 0.00 0.00 41.96 40.39 1x5l s TYR 58 CO -0.24 0.62 -0.18 -1.12 -1.52 0.00 0.00 175.55 173.10 1x5l s SER 59 N -1.57 2.17 -0.20 -0.18 0.01 -1.19 -4.97 113.70 107.76 1x5l s SER 59 Ca 0.22 -0.34 -0.07 0.00 1.31 0.00 0.00 55.95 57.06 1x5l s SER 59 Cb -0.12 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1x5l s SER 59 CO 0.12 0.21 0.07 0.42 0.41 0.00 0.00 173.24 174.47 1x5l s THR 60 N -0.32 4.68 -0.17 1.44 -4.23 -1.25 -2.91 115.64 112.89 1x5l s THR 60 Ca 0.04 -0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.46 1x5l s THR 60 Cb -0.08 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.61 1x5l s THR 60 CO 0.00 0.42 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.21 1x5l s LEU 61 N 0.73 2.97 -0.21 4.79 2.96 -0.04 -4.86 118.68 125.02 1x5l s LEU 61 Ca 0.04 -0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 53.51 1x5l s LEU 61 Cb -0.13 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1x5l s LEU 61 CO 0.02 0.11 0.40 -0.54 -1.32 0.00 0.00 176.35 175.02 1x5l s LYS 62 N 0.71 4.16 -0.06 1.98 -0.14 -1.26 -0.98 119.74 124.14 1x5l s LYS 62 Ca -0.03 0.20 0.01 0.00 -1.36 0.00 0.00 55.97 54.79 1x5l s LYS 62 Cb -0.15 -3.55 0.02 0.00 -1.68 0.00 0.00 37.83 32.47 1x5l s LYS 62 CO 0.02 -0.06 -0.08 0.00 -0.76 0.00 0.00 175.35 174.47 1x5l s ALA 63 N 1.38 1.03 0.10 5.17 0.00 -0.36 -4.96 121.76 124.12 1x5l s ALA 63 Ca 0.19 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 1x5l s ALA 63 Cb -0.15 -0.57 -0.19 0.00 0.00 0.00 0.00 23.12 22.22 1x5l s ALA 63 CO 0.08 -0.02 1.22 -0.39 0.00 0.00 0.00 175.76 176.65 1x5l h VAL 64 N 6.07 1.44 -2.47 0.00 -1.51 -1.87 0.42 116.25 118.33 1x5l h VAL 64 Ca -0.33 -2.72 -0.50 0.00 -1.23 0.00 0.00 66.70 61.92 1x5l h VAL 64 Cb 1.17 2.67 -0.02 0.00 -2.13 0.00 0.00 31.29 32.98 1x5l h VAL 64 CO 0.46 0.80 -0.41 0.28 -1.23 0.00 0.00 177.57 177.47 1x5l s THR 65 N -2.98 5.26 -1.79 7.19 -1.32 -1.26 -4.80 115.64 115.95 1x5l s THR 65 Ca -0.05 -0.75 0.02 0.00 -1.21 0.00 0.00 61.69 59.70 1x5l s THR 65 Cb 0.08 -3.80 0.05 0.00 -1.51 0.00 0.00 72.50 67.32 1x5l s THR 65 CO 0.88 -0.24 0.70 0.35 -2.21 0.00 0.00 174.62 174.10 1x5l n THR 66 N -1.02 0.40 -4.42 5.08 -2.24 -1.26 -4.46 114.28 106.35 1x5l n THR 66 Ca -0.07 0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 1x5l n THR 66 Cb 0.55 -1.07 -0.13 0.00 -2.10 0.00 0.00 70.33 67.58 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 -2.21 3.54 0.00 -0.78 3.00 -1.26 -3.55 118.95 117.69 1x5l s ARG 67 Ca 0.03 -0.59 -0.15 0.00 0.00 0.00 0.00 55.73 55.02 1x5l s ARG 67 Cb 0.01 -2.85 0.02 0.00 0.00 0.00 0.00 34.95 32.13 1x5l s ARG 67 CO 0.03 0.15 0.32 0.00 0.00 0.00 0.00 175.30 175.80 1x5l s ALA 68 N 0.56 -0.79 -0.11 2.13 0.00 -1.25 -4.84 121.76 117.46 1x5l s ALA 68 Ca -0.04 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 1x5l s ALA 68 Cb -0.15 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1x5l s ALA 68 CO 0.03 -0.31 -0.08 0.99 0.00 0.00 0.00 175.76 176.39 1x5l s THR 69 N -1.66 1.06 -0.38 0.00 2.01 -1.26 -1.70 115.64 113.71 1x5l s THR 69 Ca -0.11 -0.32 -0.27 0.00 0.31 0.00 0.00 61.69 61.30 1x5l s THR 69 Cb -0.04 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.42 1x5l s THR 69 CO 0.02 0.37 0.98 -0.69 -0.69 0.00 0.00 174.62 174.61 1x5l s VAL 70 N 1.62 4.51 0.29 3.82 1.01 0.74 -4.87 120.40 127.52 1x5l s VAL 70 Ca 0.04 1.24 0.09 0.00 0.00 0.00 0.00 61.98 63.35 1x5l s VAL 70 Cb -0.13 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1x5l s VAL 70 CO -0.07 -0.62 0.04 -0.94 0.00 0.00 0.00 175.10 173.51 1x5l s SER 71 N 1.96 4.59 0.00 3.32 1.04 -1.26 -1.11 113.70 122.24 1x5l s SER 71 Ca 0.41 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1x5l s SER 71 Cb -0.11 -0.81 0.00 0.00 0.10 0.00 0.00 66.02 65.19 1x5l s SER 71 CO 0.21 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1x5l n GLY 72 N -0.98 0.96 3.85 7.32 0.00 0.27 -4.97 105.19 111.64 1x5l n GLY 72 Ca -0.05 -0.54 -0.21 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 -0.78 3.37 -0.05 0.99 1.43 -0.72 -5.06 118.68 117.87 1x5l s LEU 73 Ca 0.00 -0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 52.17 1x5l s LEU 73 Cb 0.00 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1x5l s LEU 73 CO 0.00 -0.58 0.45 -0.54 0.23 0.00 0.00 176.35 175.91 1x5l s LYS 74 N -4.07 4.16 0.43 1.70 1.02 -1.26 -4.24 119.74 117.48 1x5l s LYS 74 Ca 0.46 0.45 -0.24 0.00 0.02 0.00 0.00 55.97 56.66 1x5l s LYS 74 Cb -0.02 -3.33 -0.08 0.00 -0.52 0.00 0.00 37.83 33.88 1x5l s LYS 74 CO 0.27 0.42 1.18 -1.25 -0.92 0.00 0.00 175.35 175.05 1x5l s PRO 75 N -0.25 3.89 -1.25 -1.68 0.04 -1.25 -3.70 135.00 130.81 1x5l s PRO 75 Ca 0.25 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 1x5l s PRO 75 Cb -0.16 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1x5l s PRO 75 CO 0.12 -0.46 0.87 0.41 0.04 0.00 0.00 177.00 177.98 1x5l n GLY 76 N 0.53 -0.33 3.01 0.56 0.00 -1.18 -4.77 105.19 103.02 1x5l n GLY 76 Ca 0.06 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.49 -0.62 0.28 2.61 2.01 -1.24 -4.98 115.64 110.20 1x5l s THR 77 Ca 0.00 -0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1x5l s THR 77 Cb -0.00 -0.77 -0.13 0.00 0.01 0.00 0.00 72.50 71.60 1x5l s THR 77 CO 0.77 -0.07 1.31 0.54 -0.69 0.00 0.00 174.62 176.48 1x5l n ARG 78 N 5.37 1.95 -4.22 4.92 1.74 -1.26 -4.11 116.66 121.05 1x5l n ARG 78 Ca -0.05 0.69 -0.19 0.00 -0.77 0.00 0.00 57.85 57.53 1x5l n ARG 78 Cb 0.50 -2.28 -0.12 0.00 -1.02 0.00 0.00 32.46 29.54 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 -0.54 1.40 -0.35 -1.55 2.02 0.65 -1.37 117.35 117.60 1x5l s TYR 79 Ca 0.63 -0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 56.81 1x5l s TYR 79 Cb -0.63 -0.76 0.07 0.00 -0.40 0.00 0.00 41.96 40.24 1x5l s TYR 79 CO 0.55 0.12 0.11 0.08 -1.57 0.00 0.00 175.55 174.84 1x5l s VAL 80 N -1.59 3.25 0.25 0.71 1.01 -0.65 -1.68 120.40 121.70 1x5l s VAL 80 Ca 0.04 -1.63 -0.14 0.00 0.00 0.00 0.00 61.98 60.25 1x5l s VAL 80 Cb -0.08 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.20 1x5l s VAL 80 CO 0.03 -0.37 0.65 -0.36 0.00 0.00 0.00 175.10 175.04 1x5l s PHE 81 N 1.23 3.47 -0.25 5.22 0.08 -1.11 -2.98 117.98 123.63 1x5l s PHE 81 Ca 0.01 1.12 -0.02 0.00 0.12 0.00 0.00 56.93 58.16 1x5l s PHE 81 Cb -0.21 -2.44 0.12 0.00 -0.57 0.00 0.00 43.02 39.93 1x5l s PHE 81 CO -0.02 0.24 0.31 -0.65 -0.10 0.00 0.00 175.22 175.00 1x5l s GLN 82 N -2.61 0.30 0.09 0.44 -1.52 -0.44 -2.98 119.66 112.94 1x5l s GLN 82 Ca 0.48 0.21 -0.11 0.00 -1.95 0.00 0.00 55.36 53.98 1x5l s GLN 82 Cb -0.12 -0.73 -0.06 0.00 -0.22 0.00 0.00 33.01 31.88 1x5l s GLN 82 CO 0.19 -0.79 0.43 0.08 -0.25 0.00 0.00 175.29 174.95 1x5l s VAL 83 N 2.43 5.04 0.07 1.09 1.01 -1.26 -1.74 120.40 127.04 1x5l s VAL 83 Ca 0.10 0.57 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 1x5l s VAL 83 Cb -0.15 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1x5l s VAL 83 CO -0.21 0.31 0.36 0.00 0.00 0.00 0.00 175.10 175.55 1x5l s ARG 84 N -1.84 0.93 0.05 2.72 1.70 -0.70 -1.17 118.95 120.64 1x5l s ARG 84 Ca 0.33 -0.57 -0.03 0.00 -0.47 0.00 0.00 55.73 54.99 1x5l s ARG 84 Cb -0.14 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.60 1x5l s ARG 84 CO 0.18 -0.33 0.25 0.00 -1.08 0.00 0.00 175.30 174.33 1x5l s ALA 85 N -3.05 3.92 -0.18 7.88 0.00 -1.26 -1.31 121.76 127.75 1x5l s ALA 85 Ca -0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1x5l s ALA 85 Cb 0.01 -1.96 0.05 0.00 0.00 0.00 0.00 23.12 21.22 1x5l s ALA 85 CO -0.07 0.74 -0.03 0.50 0.00 0.00 0.00 175.76 176.90 1x5l s ARG 86 N -2.26 1.29 0.31 0.00 3.52 -1.01 -3.40 118.95 117.39 1x5l s ARG 86 Ca 0.33 -0.57 0.07 0.00 -0.13 0.00 0.00 55.73 55.43 1x5l s ARG 86 Cb -0.13 -2.10 -0.02 0.00 -1.56 0.00 0.00 34.95 31.14 1x5l s ARG 86 CO 0.23 -0.50 0.34 0.95 -0.81 0.00 0.00 175.30 175.51 1x5l s THR 87 N 1.64 4.05 0.24 4.11 -4.23 -0.98 -2.92 115.64 117.55 1x5l s THR 87 Ca -0.01 -1.22 -0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1x5l s THR 87 Cb -0.16 -3.37 0.20 0.00 1.34 0.00 0.00 72.50 70.51 1x5l s THR 87 CO -0.07 -0.22 1.73 0.77 -0.54 0.00 0.00 174.62 176.29 1x5l h SER 88 N 1.17 0.25 0.13 3.99 4.64 -1.99 -2.44 113.55 119.31 1x5l h SER 88 Ca -0.46 0.10 0.01 0.00 -0.47 0.00 0.00 61.79 60.97 1x5l h SER 88 Cb 1.25 0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.38 1x5l h SER 88 CO 0.57 0.11 -0.52 0.00 -0.87 0.00 0.00 176.83 176.12 1x5l h ALA 89 N 1.52 -0.98 -3.00 5.18 0.00 -1.95 -3.48 119.26 116.55 1x5l h ALA 89 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1x5l h ALA 89 Cb 0.57 0.88 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1x5l h ALA 89 CO -0.39 -1.12 0.00 0.41 0.00 0.00 0.00 179.25 178.15 1x5l n GLY 90 N -1.49 2.36 3.06 0.00 0.00 -0.92 -4.93 105.19 103.27 1x5l n GLY 90 Ca -0.08 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 1.72 1.65 3.76 0.00 0.00 -1.22 -4.65 105.19 106.45 1x5l n GLY 92 Ca -0.21 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 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 3.20 2.72 0.31 1.61 0.52 -1.26 -5.00 118.95 121.04 1x5l s ARG 93 Ca 0.00 -1.08 -0.27 0.00 -0.52 0.00 0.00 55.73 53.86 1x5l s ARG 93 Cb 0.00 -2.48 -0.09 0.00 0.52 0.00 0.00 34.95 32.90 1x5l s ARG 93 CO 0.00 0.43 1.02 -0.06 0.02 0.00 0.00 175.30 176.71 1x5l s PHE 94 N -1.99 3.61 1.34 -0.53 0.08 -1.26 -4.51 117.98 114.71 1x5l s PHE 94 Ca 0.31 1.75 -0.19 0.00 0.12 0.00 0.00 56.93 58.92 1x5l s PHE 94 Cb -0.08 -3.10 0.34 0.00 -0.57 0.00 0.00 43.02 39.60 1x5l s PHE 94 CO 0.22 -0.20 0.96 -1.54 -0.10 0.00 0.00 175.22 174.56 1x5l s SER 95 N -1.28 -0.41 0.34 1.36 1.04 -0.32 -4.90 113.70 109.53 1x5l s SER 95 Ca 0.48 1.12 -0.29 0.00 0.48 0.00 0.00 55.95 57.74 1x5l s SER 95 Cb -0.25 -1.66 -0.11 0.00 0.10 0.00 0.00 66.02 64.09 1x5l s SER 95 CO 0.32 -5.00 1.50 0.00 0.98 0.00 0.00 173.24 171.04 1x5l n GLN 96 N -5.42 2.60 -1.61 4.02 6.02 -1.26 -4.80 117.38 116.94 1x5l n GLN 96 Ca 0.08 0.92 -0.44 0.00 -0.01 0.00 0.00 57.00 57.55 1x5l n GLN 96 Cb 0.58 -2.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.16 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 1.05 1.61 -2.87 -1.58 0.00 -1.26 -4.85 120.51 112.62 1x5l n ALA 97 Ca 0.04 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 1x5l n ALA 97 Cb 0.37 -2.80 -0.05 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 5.69 3.32 -0.16 0.00 1.75 -1.16 -5.02 119.30 123.72 1x5l s MET 98 Ca 0.98 -0.38 -0.00 0.00 -1.25 0.00 0.00 55.69 55.04 1x5l s MET 98 Cb -0.43 -3.02 -0.00 0.00 2.84 0.00 0.00 34.83 34.22 1x5l s MET 98 CO 0.39 0.66 -0.14 -1.21 -0.65 0.00 0.00 175.02 174.07 1x5l s GLU 99 N -1.90 3.23 -0.00 4.11 2.02 -1.26 -2.75 118.70 122.14 1x5l s GLU 99 Ca 0.26 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1x5l s GLU 99 Cb -0.12 -2.66 -0.00 0.00 0.10 0.00 0.00 34.13 31.44 1x5l s GLU 99 CO 0.18 -0.01 -0.01 0.08 0.02 0.00 0.00 175.26 175.51 1x5l s VAL 100 N 0.90 0.09 -0.14 2.63 1.01 -0.68 -5.00 120.40 119.21 1x5l s VAL 100 Ca -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1x5l s VAL 100 Cb -0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1x5l s VAL 100 CO -0.01 0.02 -0.07 -0.70 0.00 0.00 0.00 175.10 174.34 1x5l s GLU 101 N -0.05 3.47 0.98 2.72 2.12 -1.26 -0.25 118.70 126.43 1x5l s GLU 101 Ca 0.00 -0.57 -0.16 0.00 0.36 0.00 0.00 54.97 54.60 1x5l s GLU 101 Cb -0.01 -2.79 0.20 0.00 0.26 0.00 0.00 34.13 31.80 1x5l s GLU 101 CO -0.00 0.30 1.30 0.95 -0.54 0.00 0.00 175.26 177.27 1x5l s THR 102 N 0.19 1.96 -0.18 -1.70 -4.23 -1.26 -4.92 115.64 105.50 1x5l s THR 102 Ca -0.04 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.22 1x5l s THR 102 Cb -0.14 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1x5l s THR 102 CO 0.03 0.00 0.85 -0.83 -0.54 0.00 0.00 174.62 174.14 1x5l s GLY 103 N -4.79 2.05 0.70 3.99 0.00 0.11 -4.10 107.32 105.28 1x5l s GLY 103 Ca 0.73 0.04 -0.16 0.00 0.00 0.00 0.00 44.72 45.33 1x5l s GLY 103 CO 0.53 1.73 1.24 0.54 0.00 0.00 0.00 173.10 177.14 1x5l s LYS 104 N 2.28 2.26 0.74 2.90 1.02 -1.26 -3.09 119.74 124.59 1x5l s LYS 104 Ca 0.39 1.87 -0.12 0.00 0.02 0.00 0.00 55.97 58.12 1x5l s LYS 104 Cb -0.16 -1.83 0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1x5l s LYS 104 CO 0.12 -1.77 1.10 -1.25 -0.92 0.00 0.00 175.35 172.62 1x5l s PRO 105 N -3.72 2.44 -1.37 -1.68 0.04 -1.26 -3.78 135.00 125.66 1x5l s PRO 105 Ca 0.77 1.24 -0.07 0.00 0.04 0.00 0.00 61.00 62.98 1x5l s PRO 105 Cb -0.32 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1x5l s PRO 105 CO 0.43 -1.51 1.03 0.43 0.04 0.00 0.00 177.00 177.41 1x5l n SER 106 N -3.16 -4.39 -0.09 6.66 7.64 -1.26 -4.99 113.62 114.03 1x5l n SER 106 Ca 0.09 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1x5l n SER 106 Cb 0.53 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 1x5l n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5l n GLY 107 N -1.70 5.84 3.56 0.23 0.00 -1.25 -5.02 105.19 106.85 1x5l n GLY 107 Ca -0.08 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.62 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 1.48 2.55 -0.24 1.61 0.04 -1.26 -4.71 135.00 134.46 1x5l s PRO 108 Ca 0.00 -0.22 -0.11 0.00 0.04 0.00 0.00 61.00 60.71 1x5l s PRO 108 Cb 0.00 -5.02 -0.16 0.00 0.04 0.00 0.00 34.50 29.36 1x5l s PRO 108 CO 0.00 -3.34 -0.14 0.45 0.04 0.00 0.00 177.00 174.01 1x5l n SER 109 N 13.93 1.97 -4.20 6.66 2.88 -1.26 -4.98 113.62 128.61 1x5l n SER 109 Ca 0.39 0.22 -0.24 0.00 -1.33 0.00 0.00 58.87 57.91 1x5l n SER 109 Cb 0.47 -0.75 -0.14 0.00 -0.75 0.00 0.00 64.21 63.04 1x5l n SER 109 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5l s SER 110 N -7.08 2.16 0.00 -3.46 0.01 -1.26 -5.28 113.70 98.79 1x5l s SER 110 Ca -0.34 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1x5l s SER 110 Cb 0.11 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1x5l s SER 110 CO 0.57 0.15 0.41 0.61 0.41 0.00 0.00 173.24 175.39