#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5e h SER 2 N 0.00 -0.22 -2.49 1.61 0.02 -2.08 -3.40 113.55 106.99 1x5e h SER 2 Ca 0.00 0.27 -0.44 0.00 -0.84 0.00 0.00 61.79 60.78 1x5e h SER 2 Cb 0.00 0.41 0.04 0.00 0.14 0.00 0.00 62.40 62.99 1x5e h SER 2 CO 0.00 -0.36 -0.06 -0.94 -1.14 0.00 0.00 176.83 174.33 1x5e s SER 3 N -4.89 5.38 0.00 3.07 1.04 -1.26 -5.00 113.70 112.04 1x5e s SER 3 Ca -0.12 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1x5e s SER 3 Cb 0.30 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.46 1x5e s SER 3 CO 0.78 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1x5e n GLY 4 N -2.27 0.65 2.56 7.32 0.00 -1.26 -4.80 105.19 107.39 1x5e n GLY 4 Ca 0.07 -2.30 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 1x5e n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5e n SER 5 N 0.14 7.35 -0.08 1.61 7.64 -1.26 -4.72 113.62 124.30 1x5e n SER 5 Ca 0.00 -3.66 -0.07 0.00 1.01 0.00 0.00 58.87 56.15 1x5e n SER 5 Cb 0.00 -1.06 -0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1x5e n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1x5e h SER 6 N 2.52 -0.69 -4.21 6.43 4.64 -1.93 -3.48 113.55 116.84 1x5e h SER 6 Ca 0.53 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1x5e h SER 6 Cb 0.47 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1x5e h SER 6 CO 1.35 -0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.68 1x5e n GLY 7 N -1.37 0.93 0.06 -0.77 0.00 -1.26 -4.88 105.19 97.90 1x5e n GLY 7 Ca 0.01 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 43.94 1x5e n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1x5e h ASN 8 N 0.00 0.00 -3.85 1.61 2.35 -1.93 -3.45 115.58 110.31 1x5e h ASN 8 Ca 0.00 -0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 1x5e h ASN 8 Cb 0.00 -0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 1x5e h ASN 8 CO 0.00 1.00 0.46 -0.69 -1.65 0.00 0.00 177.43 176.55 1x5e s VAL 9 N -2.70 3.55 0.10 2.81 1.01 -1.26 -4.63 120.40 119.27 1x5e s VAL 9 Ca 0.00 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.45 1x5e s VAL 9 Cb 0.10 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1x5e s VAL 9 CO 0.82 0.26 0.16 -0.13 0.00 0.00 0.00 175.10 176.21 1x5e s ARG 10 N -1.74 3.15 -0.48 2.72 1.81 0.76 -4.94 118.95 120.23 1x5e s ARG 10 Ca 0.48 -0.62 -0.11 0.00 -1.72 0.00 0.00 55.73 53.76 1x5e s ARG 10 Cb -0.29 -2.85 0.12 0.00 -0.45 0.00 0.00 34.95 31.47 1x5e s ARG 10 CO 0.37 0.56 0.37 0.08 -0.68 0.00 0.00 175.30 176.01 1x5e s VAL 11 N -1.53 4.46 0.32 3.52 1.01 -1.26 0.05 120.40 126.97 1x5e s VAL 11 Ca 0.32 -1.66 -0.26 0.00 0.00 0.00 0.00 61.98 60.39 1x5e s VAL 11 Cb -0.12 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1x5e s VAL 11 CO 0.25 -0.76 0.93 -0.63 0.00 0.00 0.00 175.10 174.89 1x5e s ILE 12 N 1.43 4.24 0.29 2.22 -1.09 -1.23 -4.99 121.20 122.07 1x5e s ILE 12 Ca 0.05 1.79 0.01 0.00 -2.23 0.00 0.00 60.65 60.26 1x5e s ILE 12 Cb -0.27 -3.99 -0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1x5e s ILE 12 CO 0.01 0.14 0.02 0.35 -1.23 0.00 0.00 174.94 174.22 1x5e n THR 13 N 0.54 0.00 0.87 2.92 -2.24 -1.26 -4.84 114.28 110.27 1x5e n THR 13 Ca 0.02 -1.42 0.08 0.00 -2.27 0.00 0.00 64.05 60.46 1x5e n THR 13 Cb 0.50 0.33 0.44 0.00 -2.10 0.00 0.00 70.33 69.50 1x5e n THR 13 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x5e n ASP 14 N -1.30 0.00 -0.00 3.42 8.00 -1.26 -2.56 116.55 122.84 1x5e n ASP 14 Ca -0.11 -0.18 -0.00 0.00 0.71 0.00 0.00 54.79 55.22 1x5e n ASP 14 Cb 0.38 -0.17 -0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1x5e n ASP 14 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1x5e n GLU 15 N -1.17 1.15 0.28 -1.24 4.07 -1.26 -4.66 120.64 117.81 1x5e n GLU 15 Ca 0.10 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.34 1x5e n GLU 15 Cb 0.10 -1.01 0.79 0.00 -0.06 0.00 0.00 31.44 31.26 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1x5e h ASN 16 N 0.00 0.00 -0.96 4.31 -1.24 -1.92 -3.10 115.58 112.67 1x5e h ASN 16 Ca -0.01 0.00 0.27 0.00 0.71 0.00 0.00 56.30 57.26 1x5e h ASN 16 Cb 1.02 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.89 1x5e h ASN 16 CO -0.00 0.09 0.02 -2.67 -1.29 0.00 0.00 177.43 173.58 1x5e n TRP 17 N -3.51 0.61 -0.34 0.67 4.27 -1.06 0.13 117.44 118.22 1x5e n TRP 17 Ca -0.02 1.16 0.02 0.00 -3.89 0.00 0.00 57.50 54.77 1x5e n TRP 17 Cb 0.22 -1.22 0.09 0.00 -1.36 0.00 0.00 31.31 29.03 1x5e n TRP 17 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5e h ARG 18 N 0.00 -0.02 -1.17 -2.67 2.47 -1.87 0.81 114.38 111.93 1x5e h ARG 18 Ca 0.58 0.00 0.38 0.00 -1.26 0.00 0.00 59.98 59.69 1x5e h ARG 18 Cb 1.21 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.39 1x5e h ARG 18 CO -0.91 -0.01 0.73 0.93 0.56 0.00 0.00 179.97 181.27 1x5e h GLU 19 N -0.02 0.17 -0.92 0.04 4.39 -0.57 0.72 114.58 118.39 1x5e h GLU 19 Ca 0.39 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.21 1x5e h GLU 19 Cb 0.64 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.17 1x5e h GLU 19 CO -0.94 0.11 0.54 -0.07 -1.16 0.00 0.00 179.01 177.49 1x5e h LEU 20 N 0.17 0.76 -1.97 1.33 3.38 0.55 0.74 115.31 120.26 1x5e h LEU 20 Ca 0.77 0.06 0.23 0.00 0.09 0.00 0.00 57.88 59.03 1x5e h LEU 20 Cb 2.19 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.82 1x5e h LEU 20 CO -0.49 0.39 0.61 -0.07 0.09 0.00 0.00 178.44 178.96 1x5e h LEU 21 N 0.84 0.00 -9.36 1.67 3.38 0.39 -3.37 115.31 108.86 1x5e h LEU 21 Ca 0.47 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.76 1x5e h LEU 21 Cb 0.52 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.14 1x5e h LEU 21 CO -0.29 0.00 -0.58 -1.83 0.09 0.00 0.00 178.44 175.83 1x5e s GLU 22 N -4.90 3.17 0.40 1.13 -1.05 0.25 -0.86 118.70 116.84 1x5e s GLU 22 Ca -0.05 -0.33 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 1x5e s GLU 22 Cb 0.20 -2.92 0.00 0.00 -0.44 0.00 0.00 34.13 30.97 1x5e s GLU 22 CO 0.72 0.69 0.00 0.41 0.95 0.00 0.00 175.26 178.03 1x5e n GLY 23 N 2.20 -2.21 3.78 -3.83 0.00 -1.26 -4.78 105.19 99.08 1x5e n GLY 23 Ca -0.19 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 1x5e n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5e s ASP 24 N -7.19 7.40 -0.08 1.61 1.01 -1.26 -3.63 116.67 114.53 1x5e s ASP 24 Ca 0.00 1.68 -0.03 0.00 0.71 0.00 0.00 52.55 54.91 1x5e s ASP 24 Cb 0.00 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.46 1x5e s ASP 24 CO 0.00 0.17 0.17 0.26 0.21 0.00 0.00 175.17 175.98 1x5e s TRP 25 N -1.21 -0.20 -0.41 4.23 0.52 -0.19 -3.02 118.94 118.65 1x5e s TRP 25 Ca 0.38 0.61 -0.15 0.00 0.02 0.00 0.00 56.10 56.96 1x5e s TRP 25 Cb -0.23 -0.17 0.02 0.00 -1.15 0.00 0.00 33.47 31.95 1x5e s TRP 25 CO 0.26 -0.24 0.30 -1.64 0.02 0.00 0.00 176.95 175.65 1x5e s MET 26 N 1.86 2.96 0.04 4.98 -1.94 0.99 -0.94 119.30 127.26 1x5e s MET 26 Ca -0.02 -1.03 0.01 0.00 -1.71 0.00 0.00 55.69 52.94 1x5e s MET 26 Cb -0.12 -3.97 -0.04 0.00 2.01 0.00 0.00 34.83 32.71 1x5e s MET 26 CO -0.06 -0.76 0.08 0.42 -0.01 0.00 0.00 175.02 174.70 1x5e s ILE 27 N 1.67 4.64 -0.18 2.53 1.01 -0.54 -0.21 121.20 130.13 1x5e s ILE 27 Ca 0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 1x5e s ILE 27 Cb -0.19 -3.19 0.08 0.00 0.01 0.00 0.00 42.46 39.17 1x5e s ILE 27 CO 0.10 0.22 0.19 -1.83 0.00 0.00 0.00 174.94 173.62 1x5e s GLU 28 N -2.11 0.15 -0.20 2.79 4.04 -1.21 -0.35 118.70 121.82 1x5e s GLU 28 Ca 0.27 0.18 -0.29 0.00 0.04 0.00 0.00 54.97 55.17 1x5e s GLU 28 Cb -0.12 -1.24 -0.01 0.00 0.02 0.00 0.00 34.13 32.78 1x5e s GLU 28 CO 0.19 -0.62 1.21 -0.06 -1.84 0.00 0.00 175.26 174.14 1x5e s PHE 29 N 2.29 2.95 0.22 4.83 0.40 0.29 -3.30 117.98 125.65 1x5e s PHE 29 Ca 0.05 1.10 0.07 0.00 -0.60 0.00 0.00 56.93 57.55 1x5e s PHE 29 Cb -0.15 -3.49 -0.05 0.00 0.51 0.00 0.00 43.02 39.84 1x5e s PHE 29 CO -0.11 -1.41 -0.11 1.52 0.70 0.00 0.00 175.22 175.81 1x5e s TYR 30 N 3.51 1.69 -0.01 0.36 -0.85 -1.20 -3.09 117.35 117.77 1x5e s TYR 30 Ca 0.52 -0.65 -0.00 0.00 -0.52 0.00 0.00 57.07 56.41 1x5e s TYR 30 Cb -0.20 -0.85 0.01 0.00 0.38 0.00 0.00 41.96 41.31 1x5e s TYR 30 CO 0.13 0.27 0.03 0.00 -1.52 0.00 0.00 175.55 174.46 1x5e s ALA 31 N -3.06 -0.00 -0.46 9.51 0.00 -1.26 -3.71 121.76 122.77 1x5e s ALA 31 Ca 0.24 0.16 0.24 0.00 0.00 0.00 0.00 51.96 52.60 1x5e s ALA 31 Cb 0.01 -0.12 0.99 0.00 0.00 0.00 0.00 23.12 24.00 1x5e s ALA 31 CO 0.07 -0.05 1.72 -0.35 0.00 0.00 0.00 175.76 177.15 1x5e n PRO 32 N 3.53 0.20 -1.17 0.00 -0.04 -1.26 -2.58 135.00 133.68 1x5e n PRO 32 Ca -0.18 0.43 -0.19 0.00 -0.04 0.00 0.00 63.50 63.51 1x5e n PRO 32 Cb 0.56 -1.88 0.16 0.00 -0.04 0.00 0.00 33.50 32.29 1x5e n PRO 32 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5e n TRP 33 N -2.26 2.38 -3.87 0.54 4.27 -1.26 -4.93 117.44 112.32 1x5e n TRP 33 Ca 0.02 -2.02 -0.16 0.00 -3.89 0.00 0.00 57.50 51.45 1x5e n TRP 33 Cb 0.23 -0.83 -0.16 0.00 -1.36 0.00 0.00 31.31 29.18 1x5e n TRP 33 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5e h PRO 35 N 7.18 0.17 -0.58 0.00 0.13 -1.91 -3.03 132.00 133.95 1x5e h PRO 35 Ca -0.43 -0.09 0.10 0.00 -0.87 0.00 0.00 66.00 64.71 1x5e h PRO 35 Cb 1.13 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 1x5e h PRO 35 CO 0.48 0.61 0.18 0.00 -0.23 0.00 0.00 178.00 179.04 1x5e h ALA 36 N 0.56 0.72 -0.61 -0.56 0.00 -1.95 -0.40 119.26 117.01 1x5e h ALA 36 Ca 0.01 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1x5e h ALA 36 Cb 0.58 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1x5e h ALA 36 CO 0.02 -0.24 0.41 0.00 0.00 0.00 0.00 179.25 179.43 1x5e h GLN 38 N 0.77 0.00 0.00 0.00 4.20 -0.94 -0.89 115.11 118.25 1x5e h GLN 38 Ca 0.24 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.75 1x5e h GLN 38 Cb 0.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1x5e h GLN 38 CO -0.06 0.03 -0.92 -0.91 -0.67 0.00 0.00 178.83 176.30 1x5e h ASN 39 N 0.00 0.00 1.24 1.46 2.35 -0.93 -3.25 115.58 116.46 1x5e h ASN 39 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1x5e h ASN 39 Cb 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1x5e h ASN 39 CO 0.00 0.92 -0.79 0.25 -1.65 0.00 0.00 177.43 176.16 1x5e h LEU 40 N 0.00 0.00 -0.89 1.61 5.85 -1.12 -3.33 115.31 117.43 1x5e h LEU 40 Ca -0.01 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1x5e h LEU 40 Cb 1.65 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.55 1x5e h LEU 40 CO 0.12 0.55 -0.47 1.56 -0.34 0.00 0.00 178.44 179.86 1x5e h GLN 41 N 0.00 -0.06 -0.15 1.25 1.08 -1.26 0.31 115.11 116.29 1x5e h GLN 41 Ca -0.05 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 1x5e h GLN 41 Cb 1.46 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.90 1x5e h GLN 41 CO 0.06 -0.04 -0.14 -1.00 -0.95 0.00 0.00 178.83 176.76 1x5e h PRO 42 N -0.06 0.35 -1.00 1.46 0.13 -1.76 -3.06 132.00 128.07 1x5e h PRO 42 Ca 0.24 -0.19 0.18 0.00 -0.87 0.00 0.00 66.00 65.36 1x5e h PRO 42 Cb 0.52 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.56 1x5e h PRO 42 CO -0.90 0.74 0.62 0.93 -0.23 0.00 0.00 178.00 179.16 1x5e h GLU 43 N -0.02 0.76 0.45 0.86 3.07 -1.37 -1.68 114.58 116.65 1x5e h GLU 43 Ca 0.02 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1x5e h GLU 43 Cb 0.67 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1x5e h GLU 43 CO 0.04 0.50 -0.22 2.35 -1.40 0.00 0.00 179.01 180.28 1x5e h TRP 44 N 0.78 -0.56 -0.47 4.33 -0.00 -0.41 -2.23 115.95 117.39 1x5e h TRP 44 Ca 0.56 -0.01 0.10 0.00 -0.00 0.00 0.00 58.89 59.53 1x5e h TRP 44 Cb 0.85 0.19 -0.10 0.00 -0.00 0.00 0.00 29.16 30.09 1x5e h TRP 44 CO -0.00 -0.26 -0.22 0.93 -0.00 0.00 0.00 178.44 178.88 1x5e h GLU 45 N -0.79 -0.12 -0.18 2.65 5.08 -1.28 0.37 114.58 120.31 1x5e h GLU 45 Ca -0.06 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1x5e h GLU 45 Cb 0.55 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1x5e h GLU 45 CO 0.10 -0.08 0.13 0.77 -1.00 0.00 0.00 179.01 178.94 1x5e h SER 46 N -0.12 0.00 0.24 1.42 0.02 -1.32 -2.71 113.55 111.08 1x5e h SER 46 Ca 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1x5e h SER 46 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1x5e h SER 46 CO -0.55 0.00 -0.11 0.15 -1.14 0.00 0.00 176.83 175.18 1x5e h PHE 47 N 0.00 -0.30 -0.12 3.45 3.57 0.25 -3.21 116.94 120.59 1x5e h PHE 47 Ca 0.09 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1x5e h PHE 47 Cb 0.35 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1x5e h PHE 47 CO 0.00 -0.08 0.67 0.00 -2.23 0.00 0.00 178.31 176.67 1x5e h ALA 48 N -0.90 1.79 0.35 2.41 0.00 -0.65 -0.96 119.26 121.30 1x5e h ALA 48 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x5e h ALA 48 Cb 0.35 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1x5e h ALA 48 CO 0.05 -0.73 -0.43 0.93 0.00 0.00 0.00 179.25 179.08 1x5e h GLU 49 N 0.00 -0.79 -0.01 0.00 5.08 -1.48 -2.64 114.58 114.74 1x5e h GLU 49 Ca 0.06 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1x5e h GLU 49 Cb 1.39 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1x5e h GLU 49 CO -0.00 -0.53 -0.21 -2.67 -1.00 0.00 0.00 179.01 174.60 1x5e n TRP 50 N -5.50 0.00 0.00 4.33 4.27 -0.45 -4.49 117.44 115.59 1x5e n TRP 50 Ca -0.10 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 53.51 1x5e n TRP 50 Cb 0.41 -0.08 -0.00 0.00 -1.36 0.00 0.00 31.31 30.28 1x5e n TRP 50 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1x5e h GLY 51 N 4.89 -1.50 0.36 -1.67 0.00 -0.93 -0.94 103.07 103.29 1x5e h GLY 51 Ca 0.00 0.65 0.23 0.00 0.00 0.00 0.00 47.33 48.20 1x5e h GLY 51 CO 0.00 -0.57 0.59 1.05 0.00 0.00 0.00 176.54 177.61 1x5e h GLU 52 N -0.01 0.09 -0.64 4.80 4.11 -1.59 0.21 114.58 121.55 1x5e h GLU 52 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1x5e h GLU 52 Cb 0.01 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1x5e h GLU 52 CO -0.01 0.06 0.31 -0.44 0.07 0.00 0.00 179.01 179.00 1x5e h ASP 53 N 0.10 0.81 -0.28 3.06 3.32 -1.47 -1.07 116.42 120.89 1x5e h ASP 53 Ca 0.41 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1x5e h ASP 53 Cb 1.46 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1x5e h ASP 53 CO -0.05 0.68 0.00 0.18 -1.72 0.00 0.00 179.24 178.34 1x5e n LEU 54 N -4.35 2.36 -2.81 1.55 4.77 0.71 -4.89 117.00 114.33 1x5e n LEU 54 Ca 0.06 -1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 54.73 1x5e n LEU 54 Cb 0.13 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 40.88 1x5e n LEU 54 CO 0.38 0.42 0.05 1.21 -1.33 0.00 0.00 177.39 178.12 1x5e n GLU 55 N 0.34 -3.29 -3.71 3.23 2.13 -0.40 -4.90 120.64 114.04 1x5e n GLU 55 Ca 0.11 0.64 -0.11 0.00 0.66 0.00 0.00 57.16 58.46 1x5e n GLU 55 Cb 0.46 -4.87 -0.11 0.00 0.27 0.00 0.00 31.44 27.19 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1x5e s VAL 56 N -3.28 -0.02 0.12 6.31 0.11 -1.09 -4.86 120.40 117.69 1x5e s VAL 56 Ca 0.17 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 59.16 1x5e s VAL 56 Cb -0.02 -0.54 -0.07 0.00 -1.53 0.00 0.00 36.38 34.22 1x5e s VAL 56 CO 0.55 0.04 0.54 0.20 -3.33 0.00 0.00 175.10 173.10 1x5e s ASN 57 N 1.17 6.88 0.03 3.54 0.01 -1.17 -2.40 114.94 123.00 1x5e s ASN 57 Ca -0.08 1.11 0.08 0.00 -0.71 0.00 0.00 52.86 53.26 1x5e s ASN 57 Cb -0.08 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 1x5e s ASN 57 CO -0.10 0.15 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.78 1x5e s ILE 58 N -1.37 2.31 0.15 0.60 1.09 -1.26 -0.01 121.20 122.71 1x5e s ILE 58 Ca 0.35 -1.26 -0.06 0.00 -1.10 0.00 0.00 60.65 58.58 1x5e s ILE 58 Cb -0.16 -1.90 -0.02 0.00 -1.06 0.00 0.00 42.46 39.32 1x5e s ILE 58 CO 0.19 0.41 0.21 0.00 -0.10 0.00 0.00 174.94 175.65 1x5e s ALA 59 N -0.79 0.24 0.00 9.38 0.00 0.70 -0.17 121.76 131.13 1x5e s ALA 59 Ca 0.12 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1x5e s ALA 59 Cb -0.10 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1x5e s ALA 59 CO 0.02 -0.59 -0.08 -1.59 0.00 0.00 0.00 175.76 173.52 1x5e s LYS 60 N -3.98 0.64 -0.10 0.00 -2.85 0.11 -3.30 119.74 110.26 1x5e s LYS 60 Ca 0.18 -0.34 0.02 0.00 -1.00 0.00 0.00 55.97 54.83 1x5e s LYS 60 Cb 0.05 -0.60 -0.01 0.00 -2.06 0.00 0.00 37.83 35.20 1x5e s LYS 60 CO -0.01 0.16 -0.17 0.08 0.10 0.00 0.00 175.35 175.51 1x5e s VAL 61 N -0.30 2.68 -0.51 1.79 1.01 -1.21 -3.51 120.40 120.35 1x5e s VAL 61 Ca 0.02 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1x5e s VAL 61 Cb -0.04 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.37 1x5e s VAL 61 CO -0.00 0.55 0.47 -1.81 0.00 0.00 0.00 175.10 174.30 1x5e s ASP 62 N 0.12 6.17 0.11 3.32 1.01 -1.26 -3.22 116.67 122.93 1x5e s ASP 62 Ca -0.09 -1.57 0.07 0.00 0.71 0.00 0.00 52.55 51.67 1x5e s ASP 62 Cb -0.15 -2.20 0.36 0.00 1.01 0.00 0.00 42.92 41.94 1x5e s ASP 62 CO 0.05 -0.78 1.15 1.33 0.21 0.00 0.00 175.17 177.14 1x5e n VAL 63 N 5.25 1.45 0.00 -1.27 0.24 -1.24 -0.05 118.33 122.70 1x5e n VAL 63 Ca -0.13 0.59 -0.21 0.00 -2.04 0.00 0.00 64.34 62.54 1x5e n VAL 63 Cb 0.42 -1.59 -0.14 0.00 -1.47 0.00 0.00 33.84 31.06 1x5e n VAL 63 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x5e n THR 64 N -1.70 1.78 0.00 3.34 -2.24 -1.26 -4.31 114.28 109.89 1x5e n THR 64 Ca -0.00 -0.65 -0.20 0.00 -2.27 0.00 0.00 64.05 60.92 1x5e n THR 64 Cb 0.08 -1.73 -0.14 0.00 -2.10 0.00 0.00 70.33 66.44 1x5e n THR 64 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x5e h GLU 65 N 0.06 0.21 -3.78 -0.78 5.08 -1.52 -3.41 114.58 110.44 1x5e h GLU 65 Ca -0.43 -0.36 -0.75 0.00 -1.00 0.00 0.00 59.36 56.82 1x5e h GLU 65 Cb 2.03 0.14 -0.30 0.00 0.50 0.00 0.00 28.75 31.12 1x5e h GLU 65 CO 0.08 1.17 -0.12 -0.65 -1.00 0.00 0.00 179.01 178.50 1x5e s GLN 66 N -2.42 3.12 0.32 2.33 -1.52 0.92 -4.90 119.66 117.51 1x5e s GLN 66 Ca -0.18 -2.42 0.11 0.00 -1.95 0.00 0.00 55.36 50.91 1x5e s GLN 66 Cb 0.02 -4.13 0.52 0.00 -0.22 0.00 0.00 33.01 29.20 1x5e s GLN 66 CO 0.76 -1.24 1.71 -1.00 -0.25 0.00 0.00 175.29 175.27 1x5e h PRO 67 N 7.58 0.04 0.43 2.91 0.13 -1.81 -3.28 132.00 138.00 1x5e h PRO 67 Ca 0.03 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1x5e h PRO 67 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1x5e h PRO 67 CO 0.76 0.52 -0.21 0.78 -0.23 0.00 0.00 178.00 179.62 1x5e h GLY 68 N 1.44 -0.60 -1.55 1.56 0.00 -1.93 -3.21 103.07 98.78 1x5e h GLY 68 Ca -0.00 0.22 0.51 0.00 0.00 0.00 0.00 47.33 48.06 1x5e h GLY 68 CO 0.07 -0.22 1.04 1.04 0.00 0.00 0.00 176.54 178.47 1x5e n LEU 69 N -4.81 0.15 -0.11 3.11 4.77 -1.25 0.85 117.00 119.72 1x5e n LEU 69 Ca -0.07 1.28 -0.05 0.00 -0.03 0.00 0.00 56.01 57.14 1x5e n LEU 69 Cb 0.23 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1x5e n LEU 69 CO 0.17 -1.37 0.87 0.28 -1.33 0.00 0.00 177.39 176.02 1x5e h SER 70 N 0.00 -0.09 0.44 -1.43 0.02 -1.61 -2.82 113.55 108.06 1x5e h SER 70 Ca 0.90 0.08 -0.31 0.00 -0.84 0.00 0.00 61.79 61.62 1x5e h SER 70 Cb 3.11 0.13 0.01 0.00 0.14 0.00 0.00 62.40 65.79 1x5e h SER 70 CO -0.34 -0.01 -1.43 1.23 -1.14 0.00 0.00 176.83 175.14 1x5e h GLY 71 N 0.14 0.42 0.86 -3.77 0.00 0.35 -1.85 103.07 99.22 1x5e h GLY 71 Ca 0.18 -1.07 0.02 0.00 0.00 0.00 0.00 47.33 46.47 1x5e h GLY 71 CO -0.28 0.93 0.55 3.21 0.00 0.00 0.00 176.54 180.96 1x5e h ARG 72 N 0.10 0.00 -0.00 4.80 3.08 -0.95 0.59 114.38 122.00 1x5e h ARG 72 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1x5e h ARG 72 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.11 1x5e h ARG 72 CO 0.22 0.00 -0.09 1.19 -1.07 0.00 0.00 179.97 180.22 1x5e n PHE 73 N -2.86 0.00 -3.31 3.04 3.01 -1.09 -4.84 117.46 111.41 1x5e n PHE 73 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 1x5e n PHE 73 Cb 0.61 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.16 1x5e n PHE 73 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1x5e n ILE 74 N -0.89 -6.65 -2.80 4.37 -0.00 0.21 -4.93 119.36 108.66 1x5e n ILE 74 Ca 0.01 -0.72 -0.43 0.00 -0.00 0.00 0.00 62.75 61.61 1x5e n ILE 74 Cb 0.04 -5.33 -0.04 0.00 -0.00 0.00 0.00 39.64 34.31 1x5e n ILE 74 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1x5e s ILE 75 N -3.35 4.32 -0.21 1.39 -1.09 -0.73 -4.87 121.20 116.65 1x5e s ILE 75 Ca 0.13 0.29 -0.16 0.00 -2.23 0.00 0.00 60.65 58.68 1x5e s ILE 75 Cb -0.02 -4.59 -0.12 0.00 -1.58 0.00 0.00 42.46 36.15 1x5e s ILE 75 CO 0.70 -1.20 -0.12 0.59 -1.23 0.00 0.00 174.94 173.68 1x5e n ASN 76 N 7.67 1.89 -4.91 3.58 3.02 -1.26 -4.93 115.26 120.32 1x5e n ASN 76 Ca 0.02 0.43 -0.29 0.00 -0.03 0.00 0.00 54.58 54.70 1x5e n ASN 76 Cb 0.47 -0.87 -0.04 0.00 -0.61 0.00 0.00 39.78 38.74 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5e s ALA 77 N -2.56 3.72 0.02 5.41 0.00 -1.26 -5.11 121.76 121.98 1x5e s ALA 77 Ca -0.29 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 1x5e s ALA 77 Cb 0.08 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 1x5e s ALA 77 CO 0.47 0.41 0.10 -0.51 0.00 0.00 0.00 175.76 176.23 1x5e s LEU 78 N -3.24 1.76 1.01 0.00 1.43 -1.26 -4.30 118.68 114.10 1x5e s LEU 78 Ca 0.42 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 1x5e s LEU 78 Cb -0.11 0.57 0.20 0.00 0.03 0.00 0.00 46.19 46.88 1x5e s LEU 78 CO 0.28 -0.44 1.09 -2.16 0.23 0.00 0.00 176.35 175.35 1x5e s PRO 79 N -2.07 0.30 -0.23 1.29 0.04 -1.26 -4.84 135.00 128.23 1x5e s PRO 79 Ca -0.09 0.48 -0.06 0.00 0.04 0.00 0.00 61.00 61.37 1x5e s PRO 79 Cb -0.04 -1.73 0.11 0.00 0.04 0.00 0.00 34.50 32.89 1x5e s PRO 79 CO -0.02 -2.81 0.45 0.99 0.04 0.00 0.00 177.00 175.65 1x5e s THR 80 N -2.97 -0.70 -0.11 1.26 2.01 -1.18 -4.99 115.64 108.97 1x5e s THR 80 Ca 0.66 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.67 1x5e s THR 80 Cb -0.19 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1x5e s THR 80 CO 0.58 0.01 0.10 -0.63 -0.69 0.00 0.00 174.62 173.99 1x5e s ILE 81 N 2.64 5.20 -0.10 1.82 1.01 -1.26 -0.55 121.20 129.96 1x5e s ILE 81 Ca 0.04 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.79 1x5e s ILE 81 Cb -0.13 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.11 1x5e s ILE 81 CO -0.15 0.62 -0.12 -0.31 0.00 0.00 0.00 174.94 174.97 1x5e s TYR 82 N -0.98 1.71 -0.36 3.97 1.51 0.53 -0.26 117.35 123.47 1x5e s TYR 82 Ca 0.14 -0.79 -0.18 0.00 -1.01 0.00 0.00 57.07 55.23 1x5e s TYR 82 Cb -0.12 -1.29 -0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1x5e s TYR 82 CO 0.04 -0.45 0.49 -1.58 -1.11 0.00 0.00 175.55 172.93 1x5e s HIS 83 N 1.14 3.18 -0.31 2.71 5.65 0.02 -1.46 115.29 126.22 1x5e s HIS 83 Ca -0.05 0.07 -0.13 0.00 0.25 0.00 0.00 55.06 55.21 1x5e s HIS 83 Cb -0.14 -2.90 -0.03 0.00 -1.18 0.00 0.00 32.58 28.33 1x5e s HIS 83 CO -0.03 -0.56 0.26 0.00 -0.65 0.00 0.00 174.74 173.76 1x5e s LYS 85 N 1.83 2.07 -1.56 0.00 2.20 0.51 -1.02 119.74 123.76 1x5e s LYS 85 Ca 0.08 -0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 54.96 1x5e s LYS 85 Cb -0.17 -2.05 0.19 0.00 -1.51 0.00 0.00 37.83 34.30 1x5e s LYS 85 CO 0.11 -0.28 0.51 -3.47 -0.36 0.00 0.00 175.35 171.86 1x5e n ASP 86 N 4.80 -1.82 0.00 1.43 -0.08 -1.24 0.90 116.55 120.53 1x5e n ASP 86 Ca -0.16 -0.94 0.00 0.00 -1.51 0.00 0.00 54.79 52.19 1x5e n ASP 86 Cb 0.49 -1.60 0.00 0.00 2.34 0.00 0.00 41.12 42.35 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x5e n GLY 87 N -0.99 3.04 3.58 0.27 0.00 -0.04 -4.90 105.19 106.15 1x5e n GLY 87 Ca 0.10 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 1x5e n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x5e n GLU 88 N 0.00 -0.21 -4.20 1.61 -0.58 0.26 -4.88 120.64 112.63 1x5e n GLU 88 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1x5e n GLU 88 Cb 0.00 -2.19 -0.11 0.00 -0.57 0.00 0.00 31.44 28.57 1x5e n GLU 88 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1x5e s PHE 89 N -2.39 1.18 -0.24 -0.32 0.08 -1.26 -0.36 117.98 114.67 1x5e s PHE 89 Ca 0.65 -0.63 -0.06 0.00 0.12 0.00 0.00 56.93 57.01 1x5e s PHE 89 Cb -0.25 -0.63 0.12 0.00 -0.57 0.00 0.00 43.02 41.69 1x5e s PHE 89 CO 0.59 0.05 0.48 1.03 -0.10 0.00 0.00 175.22 177.27 1x5e s ARG 90 N -2.83 0.41 -0.00 0.44 0.52 -0.46 -1.84 118.95 115.18 1x5e s ARG 90 Ca 0.07 1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 55.99 1x5e s ARG 90 Cb -0.03 0.29 -0.06 0.00 0.52 0.00 0.00 34.95 35.67 1x5e s ARG 90 CO 0.01 -0.37 1.48 0.50 0.02 0.00 0.00 175.30 176.94 1x5e s ARG 91 N 2.68 4.25 -0.14 3.54 3.52 -1.26 -0.80 118.95 130.74 1x5e s ARG 91 Ca 0.03 2.06 -0.29 0.00 -0.13 0.00 0.00 55.73 57.41 1x5e s ARG 91 Cb -0.13 -3.65 -0.06 0.00 -1.56 0.00 0.00 34.95 29.55 1x5e s ARG 91 CO -0.16 -0.65 2.11 -0.47 -0.81 0.00 0.00 175.30 175.32 1x5e s TYR 92 N 2.73 1.25 -0.69 5.12 5.04 0.63 -4.87 117.35 126.57 1x5e s TYR 92 Ca 0.67 0.22 0.01 0.00 -2.44 0.00 0.00 57.07 55.53 1x5e s TYR 92 Cb -0.33 -4.04 0.38 0.00 0.35 0.00 0.00 41.96 38.32 1x5e s TYR 92 CO 0.28 -4.49 1.69 1.04 -1.34 0.00 0.00 175.55 172.73 1x5e n GLN 93 N 8.33 3.00 -4.59 4.97 6.02 -1.26 -4.72 117.38 129.13 1x5e n GLN 93 Ca 0.26 -3.87 -0.28 0.00 -0.01 0.00 0.00 57.00 53.10 1x5e n GLN 93 Cb 0.44 -2.26 -0.08 0.00 1.02 0.00 0.00 30.24 29.35 1x5e n GLN 93 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1x5e s GLY 94 N -2.02 2.73 0.00 1.08 0.00 -1.26 -5.01 107.32 102.84 1x5e s GLY 94 Ca 0.51 -1.01 0.15 0.00 0.00 0.00 0.00 44.72 44.37 1x5e s GLY 94 CO -0.31 -1.95 1.37 -1.55 0.00 0.00 0.00 173.10 170.66 1x5e n PRO 95 N -1.02 0.38 -3.45 2.90 -0.04 -1.26 -4.85 135.00 127.66 1x5e n PRO 95 Ca -0.10 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.21 1x5e n PRO 95 Cb 0.66 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.69 1x5e n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x5e n ARG 96 N -1.11 -6.95 -4.25 0.54 1.74 -1.26 -5.01 116.66 100.35 1x5e n ARG 96 Ca 0.10 0.74 -0.32 0.00 -0.77 0.00 0.00 57.85 57.60 1x5e n ARG 96 Cb 0.08 -5.51 -0.09 0.00 -1.02 0.00 0.00 32.46 25.92 1x5e n ARG 96 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5e s THR 97 N -3.29 4.03 0.03 0.55 -4.23 -1.26 -4.93 115.64 106.54 1x5e s THR 97 Ca 0.45 -0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 60.12 1x5e s THR 97 Cb -0.20 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.78 1x5e s THR 97 CO 0.65 0.29 1.12 0.50 -0.54 0.00 0.00 174.62 176.64 1x5e h LYS 98 N 4.05 -0.06 -0.80 3.99 3.64 -1.95 0.37 116.57 125.81 1x5e h LYS 98 Ca -0.48 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.98 1x5e h LYS 98 Cb 1.17 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.89 1x5e h LYS 98 CO 0.58 -0.04 -0.56 -0.22 -2.27 0.00 0.00 179.45 176.94 1x5e h LYS 99 N -0.06 -0.12 -0.37 1.90 3.11 -1.97 -1.22 116.57 117.83 1x5e h LYS 99 Ca 0.02 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.92 1x5e h LYS 99 Cb 0.12 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.30 1x5e h LYS 99 CO -0.16 -0.08 -0.54 0.22 -2.81 0.00 0.00 179.45 176.08 1x5e h ASP 100 N -0.13 -1.79 -0.79 4.20 3.58 -1.81 -2.12 116.42 117.56 1x5e h ASP 100 Ca 0.15 0.23 0.07 0.00 0.42 0.00 0.00 57.03 57.90 1x5e h ASP 100 Cb 0.49 0.73 -0.09 0.00 1.72 0.00 0.00 39.33 42.17 1x5e h ASP 100 CO -0.83 -0.40 -0.47 0.49 -2.88 0.00 0.00 179.24 175.16 1x5e n PHE 101 N -5.28 -0.35 -0.13 0.28 3.72 0.06 -1.10 117.46 114.66 1x5e n PHE 101 Ca -0.04 0.99 -0.03 0.00 -0.05 0.00 0.00 57.45 58.32 1x5e n PHE 101 Cb 0.33 -0.56 -0.03 0.00 -0.94 0.00 0.00 39.48 38.28 1x5e n PHE 101 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1x5e n ILE 102 N -4.93 -0.20 -0.14 4.37 -0.00 -0.80 0.55 119.36 118.21 1x5e n ILE 102 Ca 0.02 1.27 -0.04 0.00 -0.00 0.00 0.00 62.75 63.99 1x5e n ILE 102 Cb 0.21 -1.62 0.02 0.00 -0.00 0.00 0.00 39.64 38.24 1x5e n ILE 102 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 1x5e h ASN 103 N 0.00 -0.60 -0.32 4.38 2.35 -1.14 0.47 115.58 120.71 1x5e h ASN 103 Ca 0.05 0.16 0.09 0.00 -0.55 0.00 0.00 56.30 56.05 1x5e h ASN 103 Cb 0.12 0.35 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1x5e h ASN 103 CO -0.28 -0.21 0.70 0.15 -1.65 0.00 0.00 177.43 176.15 1x5e h PHE 104 N -0.07 0.00 0.00 1.19 3.57 0.61 1.13 116.94 123.37 1x5e h PHE 104 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1x5e h PHE 104 Cb 0.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1x5e h PHE 104 CO -0.44 0.00 -0.84 -0.89 -2.23 0.00 0.00 178.31 173.91 1x5e n ILE 105 N -3.08 1.41 0.01 1.41 2.08 0.12 -3.51 119.36 117.80 1x5e n ILE 105 Ca 0.06 0.18 -0.12 0.00 0.56 0.00 0.00 62.75 63.43 1x5e n ILE 105 Cb 0.83 -2.22 -0.08 0.00 -0.75 0.00 0.00 39.64 37.42 1x5e n ILE 105 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1x5e h SER 106 N -0.84 0.04 0.00 4.38 4.64 0.02 -2.22 113.55 119.57 1x5e h SER 106 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1x5e h SER 106 Cb 0.84 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1x5e h SER 106 CO 0.00 0.22 0.00 0.47 -0.87 0.00 0.00 176.83 176.65 1x5e n ASP 107 N -4.97 0.09 -3.28 4.97 8.00 0.39 -4.85 116.55 116.89 1x5e n ASP 107 Ca -0.07 -1.96 -0.24 0.00 0.71 0.00 0.00 54.79 53.22 1x5e n ASP 107 Cb 0.12 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 1x5e n ASP 107 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1x5e n LYS 108 N -0.45 -1.04 0.07 -1.24 5.02 -0.84 -4.67 118.16 115.01 1x5e n LYS 108 Ca 0.00 0.08 0.21 0.00 -2.02 0.00 0.00 58.31 56.57 1x5e n LYS 108 Cb 0.02 -3.14 0.74 0.00 -0.02 0.00 0.00 35.03 32.63 1x5e n LYS 108 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1x5e h GLU 109 N -0.49 0.00 -1.03 1.97 4.39 -1.63 -0.60 114.58 117.18 1x5e h GLU 109 Ca -0.34 0.00 0.28 0.00 0.34 0.00 0.00 59.36 59.64 1x5e h GLU 109 Cb 0.89 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.47 1x5e h GLU 109 CO 0.51 0.00 0.70 0.11 -1.16 0.00 0.00 179.01 179.17 1x5e h TRP 110 N 0.00 0.38 -0.94 4.33 5.08 -1.83 0.23 115.95 123.20 1x5e h TRP 110 Ca 0.21 0.01 0.18 0.00 1.08 0.00 0.00 58.89 60.37 1x5e h TRP 110 Cb 1.05 -0.11 -0.08 0.00 -3.00 0.00 0.00 29.16 27.01 1x5e h TRP 110 CO 0.00 0.05 0.60 0.87 -1.28 0.00 0.00 178.44 178.68 1x5e h LYS 111 N 0.24 0.59 0.00 0.12 1.79 -1.45 0.32 116.57 118.18 1x5e h LYS 111 Ca 0.54 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.94 1x5e h LYS 111 Cb 1.68 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 32.19 1x5e h LYS 111 CO -0.16 0.39 -0.18 0.77 -1.08 0.00 0.00 179.45 179.19 1x5e h SER 112 N 0.61 0.00 -3.47 0.86 0.02 -0.74 -3.42 113.55 107.41 1x5e h SER 112 Ca 0.50 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.91 1x5e h SER 112 Cb 0.95 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 1x5e h SER 112 CO -0.25 0.18 0.22 -0.63 -1.14 0.00 0.00 176.83 175.21 1x5e s ILE 113 N -4.48 4.67 -0.32 3.27 1.01 0.11 -5.00 121.20 120.47 1x5e s ILE 113 Ca -0.04 1.76 -0.29 0.00 0.00 0.00 0.00 60.65 62.09 1x5e s ILE 113 Cb 0.15 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1x5e s ILE 113 CO 0.66 0.35 1.49 -1.61 0.00 0.00 0.00 174.94 175.83 1x5e s GLU 114 N -0.01 3.70 0.53 2.79 2.02 -1.26 -4.98 118.70 121.48 1x5e s GLU 114 Ca 0.41 1.29 -0.20 0.00 0.02 0.00 0.00 54.97 56.49 1x5e s GLU 114 Cb -0.21 -4.01 -0.06 0.00 0.10 0.00 0.00 34.13 29.95 1x5e s GLU 114 CO 0.25 -1.41 1.14 -1.25 0.02 0.00 0.00 175.26 174.01 1x5e s PRO 115 N 4.75 3.43 0.49 0.39 0.04 -1.26 -4.87 135.00 137.97 1x5e s PRO 115 Ca 0.65 1.64 0.01 0.00 0.04 0.00 0.00 61.00 63.35 1x5e s PRO 115 Cb -0.19 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.28 1x5e s PRO 115 CO 0.29 -0.79 0.71 0.14 0.04 0.00 0.00 177.00 177.39 1x5e s VAL 116 N -1.73 3.29 0.00 -0.36 -7.23 -0.77 -4.93 120.40 108.68 1x5e s VAL 116 Ca 0.71 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1x5e s VAL 116 Cb -0.25 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.48 1x5e s VAL 116 CO 0.28 -0.15 0.00 -1.20 -0.31 0.00 0.00 175.10 173.73 1x5e n SER 117 N -2.18 1.89 -4.53 4.85 7.64 -1.26 -3.98 113.62 116.05 1x5e n SER 117 Ca 0.05 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.64 1x5e n SER 117 Cb 0.59 0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.71 1x5e n SER 117 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5e n SER 118 N -1.86 0.93 -3.87 6.43 7.64 -1.26 -4.84 113.62 116.79 1x5e n SER 118 Ca 0.00 -0.58 -0.30 0.00 1.01 0.00 0.00 58.87 59.00 1x5e n SER 118 Cb 0.23 -1.23 -0.14 0.00 -1.01 0.00 0.00 64.21 62.06 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1x5e s TRP 119 N 9.66 2.82 -0.18 1.43 -0.11 -1.26 -5.09 118.94 126.21 1x5e s TRP 119 Ca 1.13 -2.95 -0.07 0.00 1.22 0.00 0.00 56.10 55.43 1x5e s TRP 119 Cb -0.57 -2.53 -0.04 0.00 -1.50 0.00 0.00 33.47 28.83 1x5e s TRP 119 CO 0.34 -0.75 0.06 0.12 -4.62 0.00 0.00 176.95 172.10 1x5e s PHE 120 N -0.13 3.23 -0.29 5.86 5.36 -1.26 -5.07 117.98 125.68 1x5e s PHE 120 Ca 0.17 0.04 -0.15 0.00 -0.96 0.00 0.00 56.93 56.03 1x5e s PHE 120 Cb -0.25 -2.08 0.13 0.00 -0.34 0.00 0.00 43.02 40.48 1x5e s PHE 120 CO -0.00 0.12 0.83 0.45 -1.46 0.00 0.00 175.22 175.16 1x5e s SER 121 N 0.43 -0.77 0.00 6.13 0.15 -1.26 -4.91 113.70 113.46 1x5e s SER 121 Ca 0.03 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1x5e s SER 121 Cb -0.13 1.55 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 1x5e s SER 121 CO 0.01 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1x5e n GLY 122 N 4.45 -1.82 3.55 9.45 0.00 -1.26 -5.11 105.19 114.45 1x5e n GLY 122 Ca -0.16 0.87 -0.39 0.00 0.00 0.00 0.00 46.02 46.34 1x5e n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5e s PRO 123 N 0.00 2.69 0.17 1.61 0.04 -1.26 -4.87 135.00 133.38 1x5e s PRO 123 Ca 0.00 0.68 -0.14 0.00 0.04 0.00 0.00 61.00 61.57 1x5e s PRO 123 Cb 0.00 -4.37 0.12 0.00 0.04 0.00 0.00 34.50 30.29 1x5e s PRO 123 CO 0.00 -2.66 1.76 0.77 0.04 0.00 0.00 177.00 176.91 1x5e h SER 124 N 14.78 0.19 -3.19 6.66 0.02 -2.08 -3.36 113.55 126.57 1x5e h SER 124 Ca -0.26 0.05 -0.59 0.00 -0.84 0.00 0.00 61.79 60.14 1x5e h SER 124 Cb 1.16 0.02 -0.40 0.00 0.14 0.00 0.00 62.40 63.33 1x5e h SER 124 CO 1.20 0.14 -0.76 -0.44 -1.14 0.00 0.00 176.83 175.84 1x5e s SER 125 N -5.39 3.88 0.00 3.07 0.01 -1.26 -5.37 113.70 108.64 1x5e s SER 125 Ca -0.13 -1.88 0.00 0.00 1.31 0.00 0.00 55.95 55.25 1x5e s SER 125 Cb 0.13 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.50 1x5e s SER 125 CO 0.72 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.60