#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5e n SER 2 N 0.00 3.03 -4.03 1.61 7.64 -1.26 -4.95 113.62 115.66 1x5e n SER 2 Ca 0.00 0.59 -0.23 0.00 1.01 0.00 0.00 58.87 60.25 1x5e n SER 2 Cb 0.00 -1.39 -0.16 0.00 -1.01 0.00 0.00 64.21 61.65 1x5e n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5e s SER 3 N 6.23 1.53 0.02 6.43 0.01 -1.26 -5.01 113.70 121.64 1x5e s SER 3 Ca 1.00 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1x5e s SER 3 Cb -0.64 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.10 1x5e s SER 3 CO 0.46 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.79 1x5e n GLY 4 N 3.41 -4.02 1.99 3.44 0.00 -1.26 -4.81 105.19 103.95 1x5e n GLY 4 Ca -0.20 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 0.71 6.09 -4.58 1.61 7.64 -1.26 -4.85 113.62 118.98 1x5e n SER 5 Ca 0.00 -2.90 -0.30 0.00 1.01 0.00 0.00 58.87 56.68 1x5e n SER 5 Cb 0.00 -1.17 -0.05 0.00 -1.01 0.00 0.00 64.21 61.98 1x5e n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5e s SER 6 N 0.83 5.30 0.18 6.43 0.01 -1.26 -4.85 113.70 120.33 1x5e s SER 6 Ca 0.38 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.89 1x5e s SER 6 Cb 0.25 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1x5e s SER 6 CO -0.06 -2.79 0.00 0.61 0.41 0.00 0.00 173.24 171.41 1x5e n GLY 7 N 5.78 -0.83 0.15 3.44 0.00 -1.26 -4.06 105.19 108.40 1x5e n GLY 7 Ca 0.45 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.57 0.00 -3.31 1.61 2.35 -1.92 -3.43 115.58 110.31 1x5e h ASN 8 Ca 0.01 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.22 1x5e h ASN 8 Cb 0.57 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1x5e h ASN 8 CO 0.00 0.54 0.47 -0.69 -1.65 0.00 0.00 177.43 176.10 1x5e s VAL 9 N -3.75 4.57 0.17 2.81 1.01 -1.26 -4.55 120.40 119.40 1x5e s VAL 9 Ca -0.02 1.85 -0.04 0.00 0.00 0.00 0.00 61.98 63.77 1x5e s VAL 9 Cb 0.13 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1x5e s VAL 9 CO 0.75 0.12 0.40 -0.13 0.00 0.00 0.00 175.10 176.24 1x5e s ARG 10 N 1.22 3.60 -0.46 2.72 1.81 0.78 -4.85 118.95 123.76 1x5e s ARG 10 Ca 0.54 -0.13 -0.10 0.00 -1.72 0.00 0.00 55.73 54.32 1x5e s ARG 10 Cb -0.23 -2.82 0.11 0.00 -0.45 0.00 0.00 34.95 31.55 1x5e s ARG 10 CO 0.27 0.42 0.33 0.08 -0.68 0.00 0.00 175.30 175.73 1x5e s VAL 11 N -1.75 4.31 0.22 3.52 1.01 -1.26 0.11 120.40 126.56 1x5e s VAL 11 Ca 0.41 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.45 1x5e s VAL 11 Cb -0.12 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 1x5e s VAL 11 CO 0.26 -0.70 1.02 -0.63 0.00 0.00 0.00 175.10 175.05 1x5e s ILE 12 N 1.40 3.93 0.30 2.22 -1.09 -1.24 -4.99 121.20 121.73 1x5e s ILE 12 Ca 0.05 1.82 0.02 0.00 -2.23 0.00 0.00 60.65 60.32 1x5e s ILE 12 Cb -0.26 -4.16 0.02 0.00 -1.58 0.00 0.00 42.46 36.49 1x5e s ILE 12 CO 0.00 0.39 0.19 0.35 -1.23 0.00 0.00 174.94 174.64 1x5e n THR 13 N 1.77 0.00 1.07 2.92 -2.24 -1.26 -4.82 114.28 111.72 1x5e n THR 13 Ca -0.00 -1.24 0.10 0.00 -2.27 0.00 0.00 64.05 60.64 1x5e n THR 13 Cb 0.46 -0.16 0.54 0.00 -2.10 0.00 0.00 70.33 69.08 1x5e n THR 13 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x5e n ASP 14 N -1.79 0.00 0.00 3.42 5.75 -1.26 -2.84 116.55 119.82 1x5e n ASP 14 Ca -0.03 -0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.48 1x5e n ASP 14 Cb 0.35 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1x5e n ASP 14 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1x5e n GLU 15 N -1.16 2.94 0.18 0.11 2.13 -1.26 -4.68 120.64 118.90 1x5e n GLU 15 Ca 0.12 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.97 1x5e n GLU 15 Cb 0.12 -0.96 0.33 0.00 0.27 0.00 0.00 31.44 31.20 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1x5e h ASN 16 N 0.00 0.00 -0.89 4.31 -0.73 -1.91 -3.20 115.58 113.16 1x5e h ASN 16 Ca 0.00 0.00 0.26 0.00 1.87 0.00 0.00 56.30 58.43 1x5e h ASN 16 Cb 0.71 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 39.13 1x5e h ASN 16 CO 0.00 0.42 0.08 -2.67 -0.37 0.00 0.00 177.43 174.88 1x5e n TRP 17 N -3.86 0.63 -0.29 0.67 4.27 -1.13 0.98 117.44 118.71 1x5e n TRP 17 Ca -0.01 1.07 0.09 0.00 -3.89 0.00 0.00 57.50 54.76 1x5e n TRP 17 Cb 0.47 -1.21 0.22 0.00 -1.36 0.00 0.00 31.31 29.43 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 0.09 -1.08 -2.67 3.08 -1.89 0.72 114.38 112.63 1x5e h ARG 18 Ca 0.57 -0.01 0.29 0.00 0.07 0.00 0.00 59.98 60.90 1x5e h ARG 18 Cb 1.22 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.17 1x5e h ARG 18 CO -0.82 0.06 0.72 0.93 -1.07 0.00 0.00 179.97 179.79 1x5e h GLU 19 N 0.10 0.25 -0.70 0.04 4.39 0.37 0.44 114.58 119.47 1x5e h GLU 19 Ca 0.49 -0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.30 1x5e h GLU 19 Cb 0.93 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 1x5e h GLU 19 CO -0.74 0.17 0.47 -0.07 -1.16 0.00 0.00 179.01 177.67 1x5e h LEU 20 N 0.26 0.40 -2.17 1.33 3.38 0.39 0.97 115.31 119.87 1x5e h LEU 20 Ca 0.59 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.64 1x5e h LEU 20 Cb 1.76 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 1x5e h LEU 20 CO -0.21 0.22 0.21 -0.07 0.09 0.00 0.00 178.44 178.69 1x5e h LEU 21 N 0.44 0.00 -9.11 1.67 3.38 -0.19 -3.35 115.31 108.15 1x5e h LEU 21 Ca 0.33 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.67 1x5e h LEU 21 Cb 0.70 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.29 1x5e h LEU 21 CO -0.10 0.00 -0.59 -1.83 0.09 0.00 0.00 178.44 176.00 1x5e s GLU 22 N -4.74 3.70 0.33 1.13 -1.05 0.33 -1.42 118.70 116.99 1x5e s GLU 22 Ca -0.05 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.39 1x5e s GLU 22 Cb 0.16 -3.07 0.00 0.00 -0.44 0.00 0.00 34.13 30.78 1x5e s GLU 22 CO 0.59 0.37 0.00 0.41 0.95 0.00 0.00 175.26 177.58 1x5e n GLY 23 N 3.19 -2.04 3.78 -3.83 0.00 -1.26 -4.79 105.19 100.24 1x5e n GLY 23 Ca -0.17 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 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 -6.62 7.38 -0.14 1.61 1.01 -1.26 -3.21 116.67 115.45 1x5e s ASP 24 Ca 0.00 1.84 -0.05 0.00 0.71 0.00 0.00 52.55 55.05 1x5e s ASP 24 Cb 0.00 -2.58 0.07 0.00 1.01 0.00 0.00 42.92 41.42 1x5e s ASP 24 CO 0.00 -0.03 0.30 0.26 0.21 0.00 0.00 175.17 175.91 1x5e s TRP 25 N -1.54 -0.50 -0.40 4.23 0.52 0.58 -3.56 118.94 118.27 1x5e s TRP 25 Ca 0.48 1.08 -0.14 0.00 0.02 0.00 0.00 56.10 57.55 1x5e s TRP 25 Cb -0.20 0.06 0.02 0.00 -1.15 0.00 0.00 33.47 32.20 1x5e s TRP 25 CO 0.25 -0.37 0.27 -1.64 0.02 0.00 0.00 176.95 175.48 1x5e s MET 26 N 2.26 2.91 0.17 4.98 -1.94 0.46 -1.39 119.30 126.75 1x5e s MET 26 Ca -0.01 -1.05 0.05 0.00 -1.71 0.00 0.00 55.69 52.96 1x5e s MET 26 Cb -0.12 -3.90 -0.04 0.00 2.01 0.00 0.00 34.83 32.79 1x5e s MET 26 CO -0.10 -0.74 0.15 0.42 -0.01 0.00 0.00 175.02 174.74 1x5e s ILE 27 N 1.63 4.55 -0.25 2.53 1.01 -0.62 -0.01 121.20 130.04 1x5e s ILE 27 Ca 0.04 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 1x5e s ILE 27 Cb -0.19 -3.33 0.11 0.00 0.01 0.00 0.00 42.46 39.06 1x5e s ILE 27 CO 0.09 -0.11 0.26 -1.83 0.00 0.00 0.00 174.94 173.34 1x5e s GLU 28 N -3.14 0.26 -0.48 2.79 -1.05 -1.15 -0.95 118.70 114.97 1x5e s GLU 28 Ca 0.31 0.02 -0.29 0.00 -0.15 0.00 0.00 54.97 54.87 1x5e s GLU 28 Cb -0.10 -0.92 0.02 0.00 -0.44 0.00 0.00 34.13 32.69 1x5e s GLU 28 CO 0.24 -0.84 1.23 -0.06 0.95 0.00 0.00 175.26 176.77 1x5e s PHE 29 N 2.34 2.65 0.50 4.83 0.40 0.99 -2.60 117.98 127.10 1x5e s PHE 29 Ca 0.09 0.65 0.02 0.00 -0.60 0.00 0.00 56.93 57.08 1x5e s PHE 29 Cb -0.15 -4.43 -0.02 0.00 0.51 0.00 0.00 43.02 38.94 1x5e s PHE 29 CO -0.23 -1.53 0.00 1.52 0.70 0.00 0.00 175.22 175.69 1x5e s TYR 30 N 4.86 1.91 -0.06 0.36 -0.85 -1.15 -1.73 117.35 120.69 1x5e s TYR 30 Ca 0.51 -0.94 -0.05 0.00 -0.52 0.00 0.00 57.07 56.07 1x5e s TYR 30 Cb -0.09 -1.62 0.02 0.00 0.38 0.00 0.00 41.96 40.66 1x5e s TYR 30 CO 0.31 0.24 0.15 0.00 -1.52 0.00 0.00 175.55 174.73 1x5e s ALA 31 N -2.87 -0.37 0.04 9.51 0.00 -1.26 -3.23 121.76 123.58 1x5e s ALA 31 Ca 0.08 0.49 0.33 0.00 0.00 0.00 0.00 51.96 52.86 1x5e s ALA 31 Cb 0.02 -0.29 1.36 0.00 0.00 0.00 0.00 23.12 24.21 1x5e s ALA 31 CO 0.04 -0.09 1.96 -1.00 0.00 0.00 0.00 175.76 176.67 1x5e h PRO 32 N 6.16 0.00 -0.65 0.00 0.13 -1.99 -2.73 132.00 132.93 1x5e h PRO 32 Ca -0.28 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.58 1x5e h PRO 32 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 1x5e h PRO 32 CO 0.41 0.00 0.25 -2.67 -0.23 0.00 0.00 178.00 175.77 1x5e n TRP 33 N -2.96 2.07 -4.74 1.56 4.27 -1.26 -4.93 117.44 111.44 1x5e n TRP 33 Ca 0.01 -1.47 -0.25 0.00 -3.89 0.00 0.00 57.50 51.90 1x5e n TRP 33 Cb 0.28 -0.66 -0.16 0.00 -1.36 0.00 0.00 31.31 29.41 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 6.46 -0.08 -1.02 0.00 0.13 -1.92 -3.17 132.00 132.40 1x5e h PRO 35 Ca -0.32 0.01 0.35 0.00 -0.87 0.00 0.00 66.00 65.17 1x5e h PRO 35 Cb 1.18 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 1x5e h PRO 35 CO 0.48 0.37 0.58 0.00 -0.23 0.00 0.00 178.00 179.20 1x5e h ALA 36 N 0.31 2.05 0.40 -0.56 0.00 -1.95 0.58 119.26 120.09 1x5e h ALA 36 Ca -0.01 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1x5e h ALA 36 Cb 0.49 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1x5e h ALA 36 CO 0.01 -0.70 -0.19 0.00 0.00 0.00 0.00 179.25 178.37 1x5e h GLN 38 N -0.78 0.00 0.11 0.00 4.20 -0.86 2.12 115.11 119.91 1x5e h GLN 38 Ca -0.06 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.37 1x5e h GLN 38 Cb 0.53 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1x5e h GLN 38 CO 0.09 0.00 -1.39 -0.91 -0.67 0.00 0.00 178.83 175.95 1x5e h ASN 39 N 0.00 0.37 0.83 1.46 2.35 -1.29 -3.32 115.58 115.97 1x5e h ASN 39 Ca 0.77 -0.46 -0.19 0.00 -0.55 0.00 0.00 56.30 55.88 1x5e h ASN 39 Cb 3.34 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 41.56 1x5e h ASN 39 CO -0.01 1.37 -0.88 0.25 -1.65 0.00 0.00 177.43 176.51 1x5e h LEU 40 N 0.06 0.05 -0.74 1.61 5.85 0.35 -3.33 115.31 119.16 1x5e h LEU 40 Ca -0.19 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.59 1x5e h LEU 40 Cb 1.98 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.89 1x5e h LEU 40 CO 0.17 0.90 -0.33 0.00 -0.34 0.00 0.00 178.44 178.85 1x5e n GLN 41 N -3.53 -0.22 -0.05 1.25 1.13 0.10 -0.07 117.38 116.00 1x5e n GLN 41 Ca -0.01 1.13 -0.13 0.00 -1.94 0.00 0.00 57.00 56.05 1x5e n GLN 41 Cb 0.83 -1.67 -0.07 0.00 0.11 0.00 0.00 30.24 29.44 1x5e n GLN 41 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1x5e h PRO 42 N 0.00 0.35 -0.93 -1.09 0.13 -1.78 -2.92 132.00 125.76 1x5e h PRO 42 Ca 0.22 -0.18 0.17 0.00 -0.87 0.00 0.00 66.00 65.33 1x5e h PRO 42 Cb 0.40 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.44 1x5e h PRO 42 CO -0.72 0.73 0.52 0.93 -0.23 0.00 0.00 178.00 179.23 1x5e h GLU 43 N -0.02 0.67 0.71 0.86 3.07 -0.69 -1.51 114.58 117.68 1x5e h GLU 43 Ca 0.02 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1x5e h GLU 43 Cb 0.66 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1x5e h GLU 43 CO 0.03 0.45 -0.34 2.35 -1.40 0.00 0.00 179.01 180.10 1x5e h TRP 44 N 0.69 -0.89 -0.79 4.33 -0.00 -0.47 -2.22 115.95 116.60 1x5e h TRP 44 Ca 0.52 -0.02 0.16 0.00 -0.00 0.00 0.00 58.89 59.55 1x5e h TRP 44 Cb 0.78 0.29 -0.15 0.00 -0.00 0.00 0.00 29.16 30.08 1x5e h TRP 44 CO -0.05 -0.54 -0.20 0.93 -0.00 0.00 0.00 178.44 178.58 1x5e h GLU 45 N -1.22 0.00 -0.36 2.65 5.08 -1.25 0.82 114.58 120.30 1x5e h GLU 45 Ca -0.10 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1x5e h GLU 45 Cb 0.75 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1x5e h GLU 45 CO 0.16 0.00 0.21 0.77 -1.00 0.00 0.00 179.01 179.15 1x5e h SER 46 N 0.00 0.42 0.45 1.42 0.02 -1.29 -2.90 113.55 111.68 1x5e h SER 46 Ca 0.38 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.29 1x5e h SER 46 Cb 0.58 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1x5e h SER 46 CO -0.82 0.33 -0.22 0.15 -1.14 0.00 0.00 176.83 175.14 1x5e h PHE 47 N 0.49 -0.56 0.00 3.45 3.57 0.12 -3.04 116.94 120.97 1x5e h PHE 47 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1x5e h PHE 47 Cb -0.01 0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1x5e h PHE 47 CO 0.00 -0.29 0.64 0.00 -2.23 0.00 0.00 178.31 176.44 1x5e h ALA 48 N -0.97 1.63 0.67 2.41 0.00 -0.81 -0.58 119.26 121.61 1x5e h ALA 48 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1x5e h ALA 48 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1x5e h ALA 48 CO 0.10 -0.63 -0.47 0.93 0.00 0.00 0.00 179.25 179.18 1x5e h GLU 49 N 0.00 -1.05 0.00 0.00 5.08 -1.39 -3.12 114.58 114.10 1x5e h GLU 49 Ca 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1x5e h GLU 49 Cb 1.28 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1x5e h GLU 49 CO 0.00 -0.70 -0.64 0.11 -1.00 0.00 0.00 179.01 176.78 1x5e h TRP 50 N -1.09 0.00 0.00 4.33 5.08 -1.39 -3.41 115.95 119.47 1x5e h TRP 50 Ca -0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.88 1x5e h TRP 50 Cb 0.89 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.05 1x5e h TRP 50 CO -0.14 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.43 1x5e n GLY 51 N 1.24 -3.09 0.48 11.11 0.00 -0.34 0.48 105.19 115.05 1x5e n GLY 51 Ca 0.02 0.61 0.30 0.00 0.00 0.00 0.00 46.02 46.96 1x5e n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x5e h GLU 52 N 0.00 0.16 -0.99 1.61 -0.00 -1.57 0.35 114.58 114.14 1x5e h GLU 52 Ca 0.00 -0.01 0.08 0.00 -0.00 0.00 0.00 59.36 59.43 1x5e h GLU 52 Cb 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 28.75 28.64 1x5e h GLU 52 CO 0.00 0.10 0.63 0.22 -0.00 0.00 0.00 179.01 179.97 1x5e h ASP 53 N 0.16 0.98 -0.30 3.06 1.82 -0.20 0.63 116.42 122.57 1x5e h ASP 53 Ca 0.58 0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 57.16 1x5e h ASP 53 Cb 1.95 -0.19 -0.05 0.00 0.68 0.00 0.00 39.33 41.72 1x5e h ASP 53 CO -0.14 0.60 0.10 0.18 -1.61 0.00 0.00 179.24 178.37 1x5e n LEU 54 N -4.53 3.52 -3.42 2.28 4.77 0.12 -4.87 117.00 114.87 1x5e n LEU 54 Ca 0.16 -1.81 -0.18 0.00 -0.03 0.00 0.00 56.01 54.15 1x5e n LEU 54 Cb 0.24 -0.60 0.07 0.00 -2.33 0.00 0.00 43.42 40.80 1x5e n LEU 54 CO 0.31 0.52 0.03 1.21 -1.33 0.00 0.00 177.39 178.13 1x5e n GLU 55 N 0.10 -4.09 -3.71 3.23 4.07 0.21 -4.95 120.64 115.50 1x5e n GLU 55 Ca 0.16 0.78 -0.13 0.00 -0.06 0.00 0.00 57.16 57.92 1x5e n GLU 55 Cb 0.76 -5.58 -0.13 0.00 -0.06 0.00 0.00 31.44 26.43 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1x5e s VAL 56 N -3.43 -0.12 0.04 6.31 0.11 -1.18 -4.85 120.40 117.27 1x5e s VAL 56 Ca 0.23 0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 59.24 1x5e s VAL 56 Cb -0.04 -0.40 -0.06 0.00 -1.53 0.00 0.00 36.38 34.35 1x5e s VAL 56 CO 0.76 0.07 0.65 0.20 -3.33 0.00 0.00 175.10 173.46 1x5e s ASN 57 N 1.53 7.09 0.01 3.54 0.01 -1.23 -2.28 114.94 123.60 1x5e s ASN 57 Ca -0.07 1.30 0.05 0.00 -0.71 0.00 0.00 52.86 53.43 1x5e s ASN 57 Cb -0.11 -2.40 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 1x5e s ASN 57 CO -0.09 0.11 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.84 1x5e s ILE 58 N -0.38 3.07 0.14 0.60 1.09 -1.26 -0.40 121.20 124.06 1x5e s ILE 58 Ca 0.33 -0.98 -0.10 0.00 -1.10 0.00 0.00 60.65 58.81 1x5e s ILE 58 Cb -0.19 -2.28 -0.00 0.00 -1.06 0.00 0.00 42.46 38.92 1x5e s ILE 58 CO 0.20 0.41 0.28 0.00 -0.10 0.00 0.00 174.94 175.72 1x5e s ALA 59 N -0.90 -0.16 -0.02 9.38 0.00 0.98 -0.16 121.76 130.89 1x5e s ALA 59 Ca 0.15 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1x5e s ALA 59 Cb -0.11 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 1x5e s ALA 59 CO 0.05 -0.61 -0.09 -1.59 0.00 0.00 0.00 175.76 173.52 1x5e s LYS 60 N -3.92 0.84 0.02 0.00 -2.85 0.12 -2.93 119.74 111.02 1x5e s LYS 60 Ca 0.12 -0.30 0.03 0.00 -1.00 0.00 0.00 55.97 54.82 1x5e s LYS 60 Cb 0.03 -0.80 -0.04 0.00 -2.06 0.00 0.00 37.83 34.97 1x5e s LYS 60 CO -0.04 0.14 -0.02 0.08 0.10 0.00 0.00 175.35 175.61 1x5e s VAL 61 N 0.03 3.94 -0.21 1.79 1.01 -1.07 -3.73 120.40 122.16 1x5e s VAL 61 Ca -0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1x5e s VAL 61 Cb -0.06 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1x5e s VAL 61 CO 0.00 0.31 -0.01 -0.62 0.00 0.00 0.00 175.10 174.78 1x5e s ASP 62 N -1.70 4.63 -0.08 3.32 2.15 -1.26 -2.94 116.67 120.79 1x5e s ASP 62 Ca 0.20 -0.28 0.01 0.00 0.43 0.00 0.00 52.55 52.91 1x5e s ASP 62 Cb -0.11 -1.80 0.14 0.00 -0.30 0.00 0.00 42.92 40.85 1x5e s ASP 62 CO 0.11 0.02 1.04 1.33 -0.17 0.00 0.00 175.17 177.50 1x5e n VAL 63 N 4.53 1.14 0.00 1.11 0.24 -1.20 -2.47 118.33 121.68 1x5e n VAL 63 Ca -0.17 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1x5e n VAL 63 Cb 0.51 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 0.16 0.00 -0.08 3.34 -2.24 -1.26 -4.83 114.28 109.36 1x5e n THR 64 Ca 0.10 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1x5e n THR 64 Cb 0.63 -0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 68.24 1x5e n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5e n GLU 65 N -1.45 0.68 -3.46 -0.78 1.02 -1.22 -4.75 120.64 110.66 1x5e n GLU 65 Ca 0.00 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 1x5e n GLU 65 Cb 0.26 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 1x5e n GLU 65 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1x5e s GLN 66 N -2.52 3.05 0.52 3.49 -1.52 -1.03 -4.90 119.66 116.75 1x5e s GLN 66 Ca -0.12 -2.24 0.31 0.00 -1.95 0.00 0.00 55.36 51.36 1x5e s GLN 66 Cb 0.07 -4.15 1.30 0.00 -0.22 0.00 0.00 33.01 30.01 1x5e s GLN 66 CO 0.80 -1.25 1.97 -1.00 -0.25 0.00 0.00 175.29 175.56 1x5e h PRO 67 N 7.88 0.00 0.00 2.91 0.13 -1.86 -2.82 132.00 138.25 1x5e h PRO 67 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1x5e h PRO 67 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1x5e h PRO 67 CO 0.80 0.07 -0.16 0.78 -0.23 0.00 0.00 178.00 179.26 1x5e h GLY 68 N 1.88 0.00 0.78 1.56 0.00 -1.97 -3.36 103.07 101.96 1x5e h GLY 68 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.44 1x5e h GLY 68 CO 0.01 0.00 0.51 1.41 0.00 0.00 0.00 176.54 178.47 1x5e h LEU 69 N -1.00 0.57 -1.08 3.11 3.38 -1.94 -0.43 115.31 117.91 1x5e h LEU 69 Ca -0.03 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.23 1x5e h LEU 69 Cb 0.44 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 1x5e h LEU 69 CO -0.02 0.32 0.61 0.77 0.09 0.00 0.00 178.44 180.22 1x5e h SER 70 N 0.62 0.60 -0.04 -0.43 4.64 -1.64 -0.25 113.55 117.05 1x5e h SER 70 Ca 0.37 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1x5e h SER 70 Cb 0.59 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1x5e h SER 70 CO -0.14 0.05 -0.04 0.61 -0.87 0.00 0.00 176.83 176.45 1x5e n GLY 71 N -1.34 4.81 0.13 -0.77 0.00 -0.48 -4.15 105.19 103.38 1x5e n GLY 71 Ca 0.28 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 1x5e n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x5e n ARG 72 N -1.30 0.64 -0.79 1.61 0.63 -0.12 -4.38 116.66 112.94 1x5e n ARG 72 Ca 0.17 0.25 -0.14 0.00 -0.92 0.00 0.00 57.85 57.20 1x5e n ARG 72 Cb 0.68 -1.56 0.05 0.00 0.45 0.00 0.00 32.46 32.08 1x5e n ARG 72 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1x5e n PHE 73 N -3.75 1.44 -4.02 -0.14 3.01 -1.13 -4.84 117.46 108.03 1x5e n PHE 73 Ca -0.46 -1.70 -0.30 0.00 1.01 0.00 0.00 57.45 56.00 1x5e n PHE 73 Cb 0.93 -0.84 -0.08 0.00 -0.01 0.00 0.00 39.48 39.49 1x5e n PHE 73 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 1x5e n ILE 74 N 0.24 -0.47 -1.92 4.37 -5.35 -1.26 -4.73 119.36 110.23 1x5e n ILE 74 Ca 0.28 -0.23 -0.38 0.00 -0.27 0.00 0.00 62.75 62.15 1x5e n ILE 74 Cb 0.69 -0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 37.91 1x5e n ILE 74 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1x5e s ILE 75 N -3.60 3.27 0.01 7.28 -1.09 -1.26 -4.82 121.20 120.99 1x5e s ILE 75 Ca 0.30 0.15 -0.19 0.00 -2.23 0.00 0.00 60.65 58.68 1x5e s ILE 75 Cb -0.18 -3.71 -0.23 0.00 -1.58 0.00 0.00 42.46 36.77 1x5e s ILE 75 CO 0.84 -0.69 1.12 0.78 -1.23 0.00 0.00 174.94 175.76 1x5e h ASN 76 N 16.11 0.54 -5.62 3.58 4.21 -1.92 -3.48 115.58 129.00 1x5e h ASN 76 Ca -0.25 -0.74 -0.32 0.00 1.21 0.00 0.00 56.30 56.19 1x5e h ASN 76 Cb 1.19 -0.17 -0.10 0.00 -1.12 0.00 0.00 38.32 38.12 1x5e h ASN 76 CO 1.20 1.21 -0.30 0.00 -1.29 0.00 0.00 177.43 178.26 1x5e s ALA 77 N -3.28 1.06 0.01 -0.83 0.00 -1.26 -5.18 121.76 112.29 1x5e s ALA 77 Ca -0.13 -1.66 -0.06 0.00 0.00 0.00 0.00 51.96 50.11 1x5e s ALA 77 Cb 0.04 1.26 -0.00 0.00 0.00 0.00 0.00 23.12 24.41 1x5e s ALA 77 CO 0.82 -0.75 0.10 -0.51 0.00 0.00 0.00 175.76 175.43 1x5e s LEU 78 N -3.26 1.72 1.01 0.00 1.43 -1.26 -4.26 118.68 114.05 1x5e s LEU 78 Ca 0.34 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1x5e s LEU 78 Cb 0.01 0.57 0.19 0.00 0.03 0.00 0.00 46.19 46.99 1x5e s LEU 78 CO 0.22 -0.39 1.09 -2.16 0.23 0.00 0.00 176.35 175.34 1x5e s PRO 79 N -1.65 0.37 -0.30 1.29 0.04 -1.26 -4.95 135.00 128.54 1x5e s PRO 79 Ca -0.13 0.51 -0.08 0.00 0.04 0.00 0.00 61.00 61.34 1x5e s PRO 79 Cb -0.07 -1.73 0.14 0.00 0.04 0.00 0.00 34.50 32.89 1x5e s PRO 79 CO -0.00 -2.77 0.63 0.99 0.04 0.00 0.00 177.00 175.88 1x5e s THR 80 N -2.96 -0.99 -0.11 1.26 2.01 -0.70 -4.97 115.64 109.17 1x5e s THR 80 Ca 0.65 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.57 1x5e s THR 80 Cb -0.19 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1x5e s THR 80 CO 0.58 0.00 0.19 -0.63 -0.69 0.00 0.00 174.62 174.07 1x5e s ILE 81 N 2.88 5.40 -0.07 1.82 1.01 -1.26 -0.00 121.20 130.97 1x5e s ILE 81 Ca 0.01 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.04 1x5e s ILE 81 Cb -0.13 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1x5e s ILE 81 CO -0.19 0.57 -0.21 -0.31 0.00 0.00 0.00 174.94 174.79 1x5e s TYR 82 N -0.74 2.22 -0.32 3.97 2.02 -0.13 -0.93 117.35 123.45 1x5e s TYR 82 Ca 0.16 -0.80 -0.12 0.00 -0.37 0.00 0.00 57.07 55.94 1x5e s TYR 82 Cb -0.13 -1.49 -0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1x5e s TYR 82 CO 0.05 -0.30 0.20 -1.58 -1.57 0.00 0.00 175.55 172.35 1x5e s HIS 83 N 0.21 3.21 -0.26 2.71 5.65 0.55 -1.59 115.29 125.77 1x5e s HIS 83 Ca -0.12 -0.23 -0.05 0.00 0.25 0.00 0.00 55.06 54.90 1x5e s HIS 83 Cb -0.15 -2.42 0.00 0.00 -1.18 0.00 0.00 32.58 28.83 1x5e s HIS 83 CO 0.06 -0.34 0.03 0.00 -0.65 0.00 0.00 174.74 173.84 1x5e s LYS 85 N 1.49 1.16 -0.98 0.00 2.20 0.19 -0.31 119.74 123.49 1x5e s LYS 85 Ca 0.04 -1.69 -0.05 0.00 -0.36 0.00 0.00 55.97 53.90 1x5e s LYS 85 Cb -0.16 -2.43 0.01 0.00 -1.51 0.00 0.00 37.83 33.74 1x5e s LYS 85 CO 0.00 -1.06 0.85 -3.47 -0.36 0.00 0.00 175.35 171.31 1x5e n ASP 86 N 4.10 -4.57 0.00 1.43 2.03 -1.20 -3.01 116.55 115.34 1x5e n ASP 86 Ca 0.04 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1x5e n ASP 86 Cb 0.38 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.93 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x5e n GLY 87 N -1.51 2.76 3.75 0.27 0.00 -0.51 -4.90 105.19 105.06 1x5e n GLY 87 Ca -0.04 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1x5e n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x5e n GLU 88 N 0.00 2.56 -4.37 1.61 0.28 -1.16 -4.90 120.64 114.66 1x5e n GLU 88 Ca 0.00 0.90 -0.24 0.00 -0.16 0.00 0.00 57.16 57.66 1x5e n GLU 88 Cb 0.00 -2.61 -0.08 0.00 1.43 0.00 0.00 31.44 30.17 1x5e n GLU 88 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1x5e s PHE 89 N -0.80 2.52 -0.28 -1.84 0.08 -1.26 -0.63 117.98 115.76 1x5e s PHE 89 Ca 0.57 -0.30 -0.13 0.00 0.12 0.00 0.00 56.93 57.18 1x5e s PHE 89 Cb -0.50 -1.17 0.10 0.00 -0.57 0.00 0.00 43.02 40.87 1x5e s PHE 89 CO 0.59 0.63 0.66 1.03 -0.10 0.00 0.00 175.22 178.03 1x5e s ARG 90 N -3.62 0.64 -0.08 0.44 0.52 -0.25 -2.44 118.95 114.15 1x5e s ARG 90 Ca 0.31 1.29 -0.30 0.00 -0.52 0.00 0.00 55.73 56.52 1x5e s ARG 90 Cb -0.05 0.42 -0.03 0.00 0.52 0.00 0.00 34.95 35.82 1x5e s ARG 90 CO 0.18 -0.17 1.23 0.50 0.02 0.00 0.00 175.30 177.06 1x5e s ARG 91 N 2.14 4.32 -0.16 3.54 3.52 -1.26 -0.33 118.95 130.72 1x5e s ARG 91 Ca -0.08 1.69 -0.29 0.00 -0.13 0.00 0.00 55.73 56.91 1x5e s ARG 91 Cb -0.08 -3.61 -0.07 0.00 -1.56 0.00 0.00 34.95 29.64 1x5e s ARG 91 CO -0.19 -0.52 2.15 0.98 -0.81 0.00 0.00 175.30 176.91 1x5e n TYR 92 N 5.54 2.08 -3.62 5.12 9.36 -0.11 -4.91 117.16 130.61 1x5e n TYR 92 Ca 0.12 -0.15 -0.35 0.00 3.32 0.00 0.00 57.90 60.84 1x5e n TYR 92 Cb 0.46 -2.73 -0.07 0.00 -0.63 0.00 0.00 39.34 36.37 1x5e n TYR 92 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1x5e n GLN 93 N 8.34 2.65 -1.25 2.98 6.02 -1.26 -4.80 117.38 130.07 1x5e n GLN 93 Ca 0.28 -4.49 -0.01 0.00 -0.01 0.00 0.00 57.00 52.77 1x5e n GLN 93 Cb 0.41 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 29.28 1x5e n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x5e n GLY 94 N 2.16 1.92 0.27 1.08 0.00 -1.26 -5.03 105.19 104.32 1x5e n GLY 94 Ca 0.22 -1.04 0.15 0.00 0.00 0.00 0.00 46.02 45.36 1x5e n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5e h PRO 95 N 0.00 0.00 -3.38 1.61 0.13 -2.01 -3.47 132.00 124.88 1x5e h PRO 95 Ca -0.03 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 1x5e h PRO 95 Cb 0.11 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.30 1x5e h PRO 95 CO 0.04 0.06 -0.28 -2.13 -0.23 0.00 0.00 178.00 175.45 1x5e n ARG 96 N -3.20 -2.32 -4.44 0.86 0.63 -1.26 -5.06 116.66 101.87 1x5e n ARG 96 Ca 0.00 0.31 -0.24 0.00 -0.92 0.00 0.00 57.85 57.01 1x5e n ARG 96 Cb 0.32 -3.69 -0.10 0.00 0.45 0.00 0.00 32.46 29.44 1x5e n ARG 96 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x5e s THR 97 N -3.13 2.32 0.04 5.15 -4.23 -1.26 -5.00 115.64 109.53 1x5e s THR 97 Ca 0.01 -2.29 -0.10 0.00 -1.18 0.00 0.00 61.69 58.13 1x5e s THR 97 Cb -0.00 -2.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 1x5e s THR 97 CO 0.27 -0.38 1.16 0.50 -0.54 0.00 0.00 174.62 175.63 1x5e h LYS 98 N 2.52 -0.12 -0.30 3.99 3.64 -1.98 -1.31 116.57 123.00 1x5e h LYS 98 Ca -0.41 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.01 1x5e h LYS 98 Cb 1.24 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1x5e h LYS 98 CO 0.58 -0.08 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.23 1x5e h LYS 99 N -0.13 -0.06 -0.67 1.90 3.64 -1.97 -1.83 116.57 117.45 1x5e h LYS 99 Ca 0.02 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1x5e h LYS 99 Cb 0.18 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 1x5e h LYS 99 CO -0.16 -0.04 -0.40 -3.47 -2.27 0.00 0.00 179.45 173.11 1x5e n ASP 100 N -3.82 -0.71 -0.20 4.20 2.03 -1.09 -1.14 116.55 115.82 1x5e n ASP 100 Ca -0.00 1.42 -0.05 0.00 0.52 0.00 0.00 54.79 56.67 1x5e n ASP 100 Cb 0.11 -0.26 -0.05 0.00 -0.72 0.00 0.00 41.12 40.20 1x5e n ASP 100 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1x5e n PHE 101 N -4.57 -0.21 -0.04 -0.67 3.72 -0.51 -1.43 117.46 113.74 1x5e n PHE 101 Ca 0.01 0.61 -0.01 0.00 -0.05 0.00 0.00 57.45 58.01 1x5e n PHE 101 Cb 0.17 -0.50 -0.01 0.00 -0.94 0.00 0.00 39.48 38.20 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 -4.12 -0.07 -0.24 4.37 -0.00 -0.29 0.30 119.36 119.31 1x5e n ILE 102 Ca 0.01 1.06 -0.04 0.00 -0.00 0.00 0.00 62.75 63.79 1x5e n ILE 102 Cb 0.13 -1.39 0.02 0.00 -0.00 0.00 0.00 39.64 38.40 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 -1.14 -1.47 4.38 2.35 -1.20 0.77 115.58 119.26 1x5e h ASN 103 Ca 0.02 0.24 0.43 0.00 -0.55 0.00 0.00 56.30 56.44 1x5e h ASN 103 Cb 0.04 0.59 -0.07 0.00 0.05 0.00 0.00 38.32 38.94 1x5e h ASN 103 CO -0.10 -0.29 1.04 0.15 -1.65 0.00 0.00 177.43 176.58 1x5e h PHE 104 N -0.12 0.08 0.00 1.19 3.57 0.43 1.40 116.94 123.49 1x5e h PHE 104 Ca 0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1x5e h PHE 104 Cb 0.56 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1x5e h PHE 104 CO -0.67 -0.01 -0.68 -0.89 -2.23 0.00 0.00 178.31 173.83 1x5e n ILE 105 N -4.16 1.43 0.25 1.41 2.08 0.23 -2.79 119.36 117.81 1x5e n ILE 105 Ca 0.33 0.19 -0.16 0.00 0.56 0.00 0.00 62.75 63.68 1x5e n ILE 105 Cb 1.51 -2.37 -0.08 0.00 -0.75 0.00 0.00 39.64 37.95 1x5e n ILE 105 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1x5e h SER 106 N -0.99 -0.51 1.11 4.38 0.87 0.14 -2.74 113.55 115.81 1x5e h SER 106 Ca 0.00 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1x5e h SER 106 Cb 0.68 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1x5e h SER 106 CO 0.00 -0.31 -0.10 0.44 -0.53 0.00 0.00 176.83 176.33 1x5e h ASP 107 N -0.67 0.00 -5.30 6.23 3.32 0.17 -3.48 116.42 116.69 1x5e h ASP 107 Ca -0.06 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.71 1x5e h ASP 107 Cb 0.50 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.21 1x5e h ASP 107 CO 0.10 0.10 -0.72 0.29 -1.72 0.00 0.00 179.24 177.29 1x5e n LYS 108 N -3.21 -5.07 0.26 3.56 5.02 -0.41 -4.89 118.16 113.42 1x5e n LYS 108 Ca 0.01 0.78 0.14 0.00 -2.02 0.00 0.00 58.31 57.21 1x5e n LYS 108 Cb 0.39 -5.54 0.72 0.00 -0.02 0.00 0.00 35.03 30.58 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 -1.55 0.00 -1.08 1.97 5.08 -1.65 -3.00 114.58 114.35 1x5e h GLU 109 Ca -0.54 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.16 1x5e h GLU 109 Cb 1.30 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.41 1x5e h GLU 109 CO 0.44 0.11 0.64 0.11 -1.00 0.00 0.00 179.01 179.32 1x5e h TRP 110 N 0.00 0.80 -0.86 4.33 5.08 -1.91 0.85 115.95 124.24 1x5e h TRP 110 Ca -0.00 0.03 0.09 0.00 1.08 0.00 0.00 58.89 60.09 1x5e h TRP 110 Cb 0.41 -0.21 -0.06 0.00 -3.00 0.00 0.00 29.16 26.30 1x5e h TRP 110 CO 0.00 -0.17 0.56 1.57 -1.28 0.00 0.00 178.44 179.12 1x5e h LYS 111 N 0.26 0.83 -0.29 0.12 2.10 -1.89 -0.41 116.57 117.30 1x5e h LYS 111 Ca 0.74 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 59.34 1x5e h LYS 111 Cb 1.89 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 33.01 1x5e h LYS 111 CO -0.53 0.55 0.16 1.03 -2.00 0.00 0.00 179.45 178.66 1x5e h SER 112 N 0.86 0.34 -3.48 7.07 0.87 0.51 -3.42 113.55 116.30 1x5e h SER 112 Ca 0.39 -0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 60.40 1x5e h SER 112 Cb 0.37 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1x5e h SER 112 CO -0.16 0.27 0.16 -0.63 -0.53 0.00 0.00 176.83 175.95 1x5e s ILE 113 N -5.30 4.51 -0.13 2.23 1.01 -0.16 -5.01 121.20 118.34 1x5e s ILE 113 Ca -0.07 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 61.94 1x5e s ILE 113 Cb 0.17 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1x5e s ILE 113 CO 0.72 0.47 1.54 -1.61 0.00 0.00 0.00 174.94 176.05 1x5e s GLU 114 N -0.77 4.08 0.53 2.79 2.02 -1.26 -4.97 118.70 121.12 1x5e s GLU 114 Ca 0.36 1.89 -0.20 0.00 0.02 0.00 0.00 54.97 57.04 1x5e s GLU 114 Cb -0.22 -3.94 -0.06 0.00 0.10 0.00 0.00 34.13 30.01 1x5e s GLU 114 CO 0.25 -0.94 1.13 -1.25 0.02 0.00 0.00 175.26 174.47 1x5e s PRO 115 N 4.08 3.41 -0.03 0.39 0.04 -1.26 -4.88 135.00 136.74 1x5e s PRO 115 Ca 0.68 1.63 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 1x5e s PRO 115 Cb -0.28 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1x5e s PRO 115 CO 0.25 -0.81 0.48 0.14 0.04 0.00 0.00 177.00 177.11 1x5e s VAL 116 N -1.74 5.02 -0.22 -0.36 -7.23 -1.02 -4.99 120.40 109.86 1x5e s VAL 116 Ca 0.72 0.99 -0.13 0.00 -1.81 0.00 0.00 61.98 61.74 1x5e s VAL 116 Cb -0.25 -3.81 -0.18 0.00 0.56 0.00 0.00 36.38 32.71 1x5e s VAL 116 CO 0.28 0.46 -0.00 -0.24 -0.31 0.00 0.00 175.10 175.29 1x5e n SER 117 N 2.59 1.96 -4.56 4.85 2.88 -1.26 -4.23 113.62 115.86 1x5e n SER 117 Ca -0.10 0.28 -0.41 0.00 -1.33 0.00 0.00 58.87 57.31 1x5e n SER 117 Cb 0.52 -0.82 -0.04 0.00 -0.75 0.00 0.00 64.21 63.11 1x5e n SER 117 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5e n SER 118 N -4.04 2.59 -3.82 -3.46 2.88 -1.26 -4.89 113.62 101.62 1x5e n SER 118 Ca -0.41 -0.09 -0.29 0.00 -1.33 0.00 0.00 58.87 56.75 1x5e n SER 118 Cb 0.86 -1.51 -0.13 0.00 -0.75 0.00 0.00 64.21 62.68 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1x5e s TRP 119 N 9.96 2.81 -0.51 0.66 -0.11 -1.26 -5.07 118.94 125.41 1x5e s TRP 119 Ca 1.02 -2.96 -0.27 0.00 1.22 0.00 0.00 56.10 55.12 1x5e s TRP 119 Cb -0.37 -2.37 0.03 0.00 -1.50 0.00 0.00 33.47 29.27 1x5e s TRP 119 CO 0.33 -0.69 1.04 -0.06 -4.62 0.00 0.00 176.95 172.95 1x5e s PHE 120 N -0.48 2.79 -0.24 5.86 0.08 -1.26 -4.96 117.98 119.78 1x5e s PHE 120 Ca 0.21 0.39 -0.30 0.00 0.12 0.00 0.00 56.93 57.36 1x5e s PHE 120 Cb -0.16 -4.24 0.17 0.00 -0.57 0.00 0.00 43.02 38.22 1x5e s PHE 120 CO -0.07 -1.31 1.22 -1.12 -0.10 0.00 0.00 175.22 173.84 1x5e s SER 121 N 2.59 -0.16 0.00 1.36 0.01 -1.26 -4.93 113.70 111.30 1x5e s SER 121 Ca 0.40 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.83 1x5e s SER 121 Cb -0.09 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1x5e s SER 121 CO 0.26 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1x5e n GLY 122 N 0.56 0.58 0.00 3.44 0.00 -1.26 -4.95 105.19 103.55 1x5e n GLY 122 Ca -0.04 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.39 1x5e n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5e n PRO 123 N 0.00 0.49 -3.96 1.61 -0.04 -1.26 -4.84 135.00 127.00 1x5e n PRO 123 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1x5e n PRO 123 Cb 0.00 -1.42 0.02 0.00 -0.04 0.00 0.00 33.50 32.06 1x5e n PRO 123 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x5e n SER 124 N -0.92 -4.45 -4.02 3.54 3.41 -1.26 -0.86 113.62 109.06 1x5e n SER 124 Ca 0.10 -0.82 -0.32 0.00 -0.26 0.00 0.00 58.87 57.57 1x5e n SER 124 Cb 0.05 -3.70 0.00 0.00 -0.26 0.00 0.00 64.21 60.30 1x5e n SER 124 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5e n SER 125 N -2.81 -3.75 0.00 4.04 2.88 -1.26 -5.35 113.62 107.37 1x5e n SER 125 Ca 0.04 -0.88 0.12 0.00 -1.33 0.00 0.00 58.87 56.82 1x5e n SER 125 Cb 0.52 -3.42 0.74 0.00 -0.75 0.00 0.00 64.21 61.31 1x5e n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42