#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5e s SER 2 N 0.00 -0.10 -0.28 1.61 0.01 -1.26 -5.16 113.70 108.54 1x5e s SER 2 Ca 0.00 0.16 -0.21 0.00 1.31 0.00 0.00 55.95 57.20 1x5e s SER 2 Cb 0.00 0.26 0.08 0.00 0.21 0.00 0.00 66.02 66.57 1x5e s SER 2 CO 0.00 -0.11 0.73 -0.44 0.41 0.00 0.00 173.24 173.83 1x5e s SER 3 N -0.25 -0.81 0.00 2.44 0.01 -1.26 -5.16 113.70 108.68 1x5e s SER 3 Ca -0.03 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.66 1x5e s SER 3 Cb -0.02 1.40 0.00 0.00 0.21 0.00 0.00 66.02 67.61 1x5e s SER 3 CO 0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1x5e n GLY 4 N 3.34 4.22 2.98 3.44 0.00 -1.26 -5.07 105.19 112.84 1x5e n GLY 4 Ca -0.16 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 1x5e n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5e s SER 5 N 0.00 4.61 -0.17 1.61 0.01 -1.26 -4.96 113.70 113.54 1x5e s SER 5 Ca 0.00 -2.33 -0.14 0.00 1.31 0.00 0.00 55.95 54.79 1x5e s SER 5 Cb 0.00 -1.58 -0.10 0.00 0.21 0.00 0.00 66.02 64.55 1x5e s SER 5 CO 0.00 -0.35 -0.02 -1.54 0.41 0.00 0.00 173.24 171.75 1x5e n SER 6 N 4.02 1.83 -4.04 2.44 3.41 -1.26 -4.91 113.62 115.11 1x5e n SER 6 Ca 0.04 0.55 -0.30 0.00 -0.26 0.00 0.00 58.87 58.90 1x5e n SER 6 Cb 0.40 -0.91 -0.16 0.00 -0.26 0.00 0.00 64.21 63.27 1x5e n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5e s GLY 7 N -4.50 1.14 -0.10 5.00 0.00 -1.26 -4.99 107.32 102.61 1x5e s GLY 7 Ca -0.21 -0.90 0.16 0.00 0.00 0.00 0.00 44.72 43.76 1x5e s GLY 7 CO 0.37 0.42 0.41 0.70 0.00 0.00 0.00 173.10 175.01 1x5e n ASN 8 N 4.61 0.46 -4.72 1.64 4.13 -1.26 -4.91 115.26 115.22 1x5e n ASN 8 Ca -0.18 0.22 -0.42 0.00 1.68 0.00 0.00 54.58 55.88 1x5e n ASN 8 Cb 0.50 0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 39.19 1x5e n ASN 8 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1x5e s VAL 9 N -2.61 3.90 -0.00 2.41 1.01 -1.26 -4.58 120.40 119.27 1x5e s VAL 9 Ca -0.07 1.39 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 1x5e s VAL 9 Cb 0.07 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1x5e s VAL 9 CO 0.83 0.12 0.17 -0.13 0.00 0.00 0.00 175.10 176.09 1x5e s ARG 10 N 0.90 3.37 -0.45 2.72 1.81 0.10 -4.93 118.95 122.46 1x5e s ARG 10 Ca 0.59 -0.36 -0.11 0.00 -1.72 0.00 0.00 55.73 54.12 1x5e s ARG 10 Cb -0.31 -3.05 0.09 0.00 -0.45 0.00 0.00 34.95 31.24 1x5e s ARG 10 CO 0.30 0.66 0.33 0.08 -0.68 0.00 0.00 175.30 176.00 1x5e s VAL 11 N -1.32 4.54 -0.05 3.52 1.01 -1.26 -0.31 120.40 126.53 1x5e s VAL 11 Ca 0.27 -1.41 -0.24 0.00 0.00 0.00 0.00 61.98 60.60 1x5e s VAL 11 Cb -0.13 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1x5e s VAL 11 CO 0.19 -0.61 0.71 -0.63 0.00 0.00 0.00 175.10 174.75 1x5e s ILE 12 N 1.48 5.00 0.31 2.22 -1.09 -1.25 -4.98 121.20 122.89 1x5e s ILE 12 Ca 0.04 1.47 0.03 0.00 -2.23 0.00 0.00 60.65 59.95 1x5e s ILE 12 Cb -0.25 -4.05 0.03 0.00 -1.58 0.00 0.00 42.46 36.62 1x5e s ILE 12 CO 0.03 0.27 0.25 0.35 -1.23 0.00 0.00 174.94 174.61 1x5e n THR 13 N 3.62 0.00 0.53 2.92 -2.24 -1.26 -4.80 114.28 113.05 1x5e n THR 13 Ca -0.02 -1.21 0.05 0.00 -2.27 0.00 0.00 64.05 60.61 1x5e n THR 13 Cb 0.51 -0.29 0.27 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.99 0.00 -0.03 3.42 5.68 -1.26 -2.27 116.55 120.10 1x5e n ASP 14 Ca -0.00 -0.01 -0.06 0.00 -0.50 0.00 0.00 54.79 54.22 1x5e n ASP 14 Cb 0.35 -0.19 -0.03 0.00 -1.14 0.00 0.00 41.12 40.11 1x5e n ASP 14 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1x5e n GLU 15 N -1.19 0.17 0.30 0.11 4.07 -1.26 -4.61 120.64 118.22 1x5e n GLU 15 Ca 0.06 0.05 0.16 0.00 -0.06 0.00 0.00 57.16 57.36 1x5e n GLU 15 Cb 0.07 -1.03 0.92 0.00 -0.06 0.00 0.00 31.44 31.33 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 -0.07 0.00 -0.90 4.31 -0.73 -1.89 -3.04 115.58 113.26 1x5e h ASN 16 Ca -0.16 0.00 0.18 0.00 1.87 0.00 0.00 56.30 58.19 1x5e h ASN 16 Cb 1.22 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 39.64 1x5e h ASN 16 CO -0.05 0.03 -0.23 -2.67 -0.37 0.00 0.00 177.43 174.14 1x5e n TRP 17 N -3.66 0.31 -0.32 0.67 4.27 -0.96 0.12 117.44 117.88 1x5e n TRP 17 Ca -0.03 1.10 0.19 0.00 -3.89 0.00 0.00 57.50 54.87 1x5e n TRP 17 Cb 0.12 -1.02 0.39 0.00 -1.36 0.00 0.00 31.31 29.45 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 0.14 -0.97 -2.67 3.08 -1.86 0.88 114.38 112.98 1x5e h ARG 18 Ca 0.43 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.67 1x5e h ARG 18 Cb 0.65 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.58 1x5e h ARG 18 CO -0.92 0.09 0.61 0.93 -1.07 0.00 0.00 179.97 179.61 1x5e h GLU 19 N 0.14 0.59 -0.08 0.04 5.08 0.74 0.35 114.58 121.44 1x5e h GLU 19 Ca 0.66 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 59.01 1x5e h GLU 19 Cb 1.49 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1x5e h GLU 19 CO -0.73 0.39 0.33 -0.07 -1.00 0.00 0.00 179.01 177.93 1x5e h LEU 20 N 0.60 0.00 -0.41 1.33 3.38 0.74 0.53 115.31 121.48 1x5e h LEU 20 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1x5e h LEU 20 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1x5e h LEU 20 CO -0.29 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.42 1x5e n LEU 21 N -3.08 0.54 -3.91 1.67 4.77 0.12 -3.98 117.00 113.13 1x5e n LEU 21 Ca -0.00 -0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.47 1x5e n LEU 21 Cb 0.41 -0.11 -0.17 0.00 -2.33 0.00 0.00 43.42 41.21 1x5e n LEU 21 CO 0.17 0.12 -0.43 -1.61 -1.33 0.00 0.00 177.39 174.31 1x5e s GLU 22 N -1.80 1.27 1.07 3.23 2.02 0.18 -3.76 118.70 120.91 1x5e s GLU 22 Ca 0.05 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1x5e s GLU 22 Cb 0.03 -1.28 0.00 0.00 0.10 0.00 0.00 34.13 32.97 1x5e s GLU 22 CO 0.03 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1x5e n GLY 23 N 4.50 -1.47 3.78 -1.39 0.00 -1.26 -4.76 105.19 104.59 1x5e n GLY 23 Ca -0.17 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 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 -5.77 6.97 -0.17 1.61 1.11 -1.26 -2.68 116.67 116.47 1x5e s ASP 24 Ca 0.00 2.01 -0.08 0.00 0.18 0.00 0.00 52.55 54.66 1x5e s ASP 24 Cb 0.00 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.47 1x5e s ASP 24 CO 0.00 -0.34 0.39 0.26 1.18 0.00 0.00 175.17 176.66 1x5e s TRP 25 N -1.60 -0.63 -0.36 4.23 0.52 0.10 -3.53 118.94 117.67 1x5e s TRP 25 Ca 0.54 1.30 -0.09 0.00 0.02 0.00 0.00 56.10 57.87 1x5e s TRP 25 Cb -0.22 0.24 0.03 0.00 -1.15 0.00 0.00 33.47 32.37 1x5e s TRP 25 CO 0.28 -0.38 0.17 -1.64 0.02 0.00 0.00 176.95 175.40 1x5e s MET 26 N 1.86 2.74 0.12 4.98 -1.94 0.17 -0.86 119.30 126.36 1x5e s MET 26 Ca -0.06 -1.13 0.05 0.00 -1.71 0.00 0.00 55.69 52.83 1x5e s MET 26 Cb -0.10 -3.64 -0.04 0.00 2.01 0.00 0.00 34.83 33.06 1x5e s MET 26 CO -0.12 -0.70 0.08 0.42 -0.01 0.00 0.00 175.02 174.69 1x5e s ILE 27 N 1.50 4.33 -0.24 2.53 1.01 -0.54 -0.06 121.20 129.73 1x5e s ILE 27 Ca 0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 1x5e s ILE 27 Cb -0.19 -3.14 0.10 0.00 0.01 0.00 0.00 42.46 39.24 1x5e s ILE 27 CO 0.05 0.01 0.20 -1.83 0.00 0.00 0.00 174.94 173.37 1x5e s GLU 28 N -2.71 0.21 -0.33 2.79 -1.05 -1.12 -0.62 118.70 115.87 1x5e s GLU 28 Ca 0.29 -0.09 -0.29 0.00 -0.15 0.00 0.00 54.97 54.74 1x5e s GLU 28 Cb -0.11 -1.13 -0.00 0.00 -0.44 0.00 0.00 34.13 32.44 1x5e s GLU 28 CO 0.21 -0.84 1.45 -0.06 0.95 0.00 0.00 175.26 176.98 1x5e s PHE 29 N 2.26 2.38 0.41 4.83 0.40 0.99 -3.47 117.98 125.79 1x5e s PHE 29 Ca 0.07 0.71 0.05 0.00 -0.60 0.00 0.00 56.93 57.16 1x5e s PHE 29 Cb -0.15 -4.09 -0.06 0.00 0.51 0.00 0.00 43.02 39.23 1x5e s PHE 29 CO -0.23 -2.19 0.03 1.52 0.70 0.00 0.00 175.22 175.05 1x5e s TYR 30 N 5.16 2.20 -0.07 0.36 -0.85 -1.21 -2.08 117.35 120.86 1x5e s TYR 30 Ca 0.63 -0.84 -0.06 0.00 -0.52 0.00 0.00 57.07 56.28 1x5e s TYR 30 Cb -0.18 -1.59 0.02 0.00 0.38 0.00 0.00 41.96 40.59 1x5e s TYR 30 CO 0.29 0.25 0.20 0.00 -1.52 0.00 0.00 175.55 174.76 1x5e s ALA 31 N -2.91 -0.48 -0.26 9.51 0.00 -1.26 -3.74 121.76 122.62 1x5e s ALA 31 Ca 0.28 0.58 0.27 0.00 0.00 0.00 0.00 51.96 53.10 1x5e s ALA 31 Cb 0.07 -0.35 1.14 0.00 0.00 0.00 0.00 23.12 23.99 1x5e s ALA 31 CO 0.14 -0.10 1.82 -1.00 0.00 0.00 0.00 175.76 176.61 1x5e h PRO 32 N 6.00 0.00 -0.57 0.00 0.13 -2.01 -2.63 132.00 132.93 1x5e h PRO 32 Ca -0.27 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.69 1x5e h PRO 32 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1x5e h PRO 32 CO 0.39 0.00 0.16 -2.67 -0.23 0.00 0.00 178.00 175.65 1x5e n TRP 33 N -2.54 1.88 -4.83 1.56 4.27 -1.26 -4.93 117.44 111.59 1x5e n TRP 33 Ca 0.01 -1.23 -0.27 0.00 -3.89 0.00 0.00 57.50 52.13 1x5e n TRP 33 Cb 0.25 -0.58 -0.17 0.00 -1.36 0.00 0.00 31.31 29.46 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 6.71 0.07 -1.04 0.00 0.13 -1.91 -3.12 132.00 132.83 1x5e h PRO 35 Ca -0.28 -0.04 0.28 0.00 -0.87 0.00 0.00 66.00 65.09 1x5e h PRO 35 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1x5e h PRO 35 CO 0.47 0.54 0.64 0.00 -0.23 0.00 0.00 178.00 179.43 1x5e h ALA 36 N 0.53 2.06 -0.10 -0.56 0.00 -1.95 0.37 119.26 119.61 1x5e h ALA 36 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1x5e h ALA 36 Cb 0.53 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1x5e h ALA 36 CO 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 179.25 178.73 1x5e h GLN 38 N -0.08 0.00 0.00 0.00 1.08 -0.86 1.53 115.11 116.77 1x5e h GLN 38 Ca 0.03 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.01 1x5e h GLN 38 Cb 0.33 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1x5e h GLN 38 CO 0.00 0.00 -1.25 -0.91 -0.95 0.00 0.00 178.83 175.72 1x5e h ASN 39 N 0.00 0.00 0.53 1.46 2.35 -1.37 -3.35 115.58 115.21 1x5e h ASN 39 Ca 0.49 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.94 1x5e h ASN 39 Cb 2.32 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.70 1x5e h ASN 39 CO -0.01 0.86 -1.34 0.25 -1.65 0.00 0.00 177.43 175.54 1x5e h LEU 40 N 0.00 0.51 -0.66 1.61 5.85 0.21 -3.31 115.31 119.52 1x5e h LEU 40 Ca -0.13 -0.56 0.08 0.00 0.84 0.00 0.00 57.88 58.11 1x5e h LEU 40 Cb 1.77 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 42.54 1x5e h LEU 40 CO 0.09 1.45 -0.32 0.00 -0.34 0.00 0.00 178.44 179.32 1x5e n GLN 41 N -3.56 -0.21 -0.06 1.25 1.13 0.88 0.08 117.38 116.88 1x5e n GLN 41 Ca -0.11 1.01 -0.13 0.00 -1.94 0.00 0.00 57.00 55.83 1x5e n GLN 41 Cb 1.04 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.83 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 0.39 -1.01 -1.09 0.13 -1.78 -3.04 132.00 125.61 1x5e h PRO 42 Ca 0.18 -0.21 0.18 0.00 -0.87 0.00 0.00 66.00 65.28 1x5e h PRO 42 Cb 0.34 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.38 1x5e h PRO 42 CO -0.64 0.77 0.62 0.93 -0.23 0.00 0.00 178.00 179.44 1x5e h GLU 43 N 0.04 0.78 0.61 0.86 3.07 -0.45 -2.02 114.58 117.47 1x5e h GLU 43 Ca 0.03 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1x5e h GLU 43 Cb 0.69 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1x5e h GLU 43 CO 0.04 0.52 -0.29 2.35 -1.40 0.00 0.00 179.01 180.22 1x5e h TRP 44 N 0.81 -0.76 -0.82 4.33 -0.00 -0.44 -2.16 115.95 116.91 1x5e h TRP 44 Ca 0.57 -0.02 0.19 0.00 -0.00 0.00 0.00 58.89 59.63 1x5e h TRP 44 Cb 0.83 0.25 -0.15 0.00 -0.00 0.00 0.00 29.16 30.10 1x5e h TRP 44 CO -0.00 -0.42 -0.01 0.93 -0.00 0.00 0.00 178.44 178.93 1x5e h GLU 45 N -1.04 0.07 -0.20 2.65 5.08 -1.30 0.85 114.58 120.70 1x5e h GLU 45 Ca -0.08 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1x5e h GLU 45 Cb 0.68 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1x5e h GLU 45 CO 0.14 0.05 -0.06 0.77 -1.00 0.00 0.00 179.01 178.91 1x5e h SER 46 N 0.08 0.28 0.19 1.42 0.02 -1.34 -2.99 113.55 111.21 1x5e h SER 46 Ca 0.45 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.35 1x5e h SER 46 Cb 0.82 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1x5e h SER 46 CO -0.74 0.38 -0.09 0.15 -1.14 0.00 0.00 176.83 175.38 1x5e h PHE 47 N 0.29 -0.24 0.00 3.45 3.57 0.13 -2.98 116.94 121.16 1x5e h PHE 47 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1x5e h PHE 47 Cb 0.29 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1x5e h PHE 47 CO 0.01 0.16 0.32 0.00 -2.23 0.00 0.00 178.31 176.57 1x5e h ALA 48 N -0.15 1.25 0.67 2.41 0.00 -0.82 -1.13 119.26 121.49 1x5e h ALA 48 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1x5e h ALA 48 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1x5e h ALA 48 CO 0.04 -0.25 -0.34 0.93 0.00 0.00 0.00 179.25 179.63 1x5e h GLU 49 N 0.00 -0.89 -0.01 0.00 5.08 -1.38 -3.05 114.58 114.32 1x5e h GLU 49 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x5e h GLU 49 Cb 0.65 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1x5e h GLU 49 CO 0.00 -0.59 -0.32 -2.67 -1.00 0.00 0.00 179.01 174.43 1x5e n TRP 50 N -5.49 0.00 0.00 4.33 4.27 -0.71 -4.52 117.44 115.32 1x5e n TRP 50 Ca -0.13 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.48 1x5e n TRP 50 Cb 0.38 -0.08 0.00 0.00 -1.36 0.00 0.00 31.31 30.25 1x5e n TRP 50 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1x5e n GLY 51 N 1.36 -2.86 0.42 -1.67 0.00 -0.51 -1.39 105.19 100.54 1x5e n GLY 51 Ca 0.11 0.35 0.22 0.00 0.00 0.00 0.00 46.02 46.70 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 0.23 -0.72 1.61 -0.00 -1.63 0.16 114.58 114.23 1x5e h GLU 52 Ca 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 59.36 59.36 1x5e h GLU 52 Cb 0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 28.75 28.66 1x5e h GLU 52 CO 0.00 0.15 0.48 -0.44 -0.00 0.00 0.00 179.01 179.20 1x5e h ASP 53 N 0.23 0.80 -0.31 3.06 3.32 -1.47 -0.22 116.42 121.84 1x5e h ASP 53 Ca 0.42 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1x5e h ASP 53 Cb 1.28 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1x5e h ASP 53 CO -0.10 0.57 0.00 0.18 -1.72 0.00 0.00 179.24 178.17 1x5e n LEU 54 N -4.44 2.91 -3.11 1.55 4.77 0.55 -4.90 117.00 114.34 1x5e n LEU 54 Ca 0.08 -1.47 -0.14 0.00 -0.03 0.00 0.00 56.01 54.45 1x5e n LEU 54 Cb 0.06 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.74 1x5e n LEU 54 CO 0.36 0.45 0.06 -0.62 -1.33 0.00 0.00 177.39 176.31 1x5e n GLU 55 N 0.38 -4.00 -3.75 3.23 4.71 -0.09 -4.93 120.64 116.20 1x5e n GLU 55 Ca 0.13 0.77 -0.12 0.00 -0.01 0.00 0.00 57.16 57.92 1x5e n GLU 55 Cb 0.59 -5.43 -0.11 0.00 -1.01 0.00 0.00 31.44 25.48 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1x5e s VAL 56 N -3.33 -0.01 0.20 2.62 0.11 -1.09 -4.87 120.40 114.03 1x5e s VAL 56 Ca 0.20 0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.23 1x5e s VAL 56 Cb -0.03 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.32 1x5e s VAL 56 CO 0.65 0.02 0.47 0.20 -3.33 0.00 0.00 175.10 173.11 1x5e s ASN 57 N 0.57 6.54 0.00 3.54 0.01 -1.23 -2.49 114.94 121.88 1x5e s ASN 57 Ca -0.03 0.73 0.05 0.00 -0.71 0.00 0.00 52.86 52.90 1x5e s ASN 57 Cb -0.05 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 1x5e s ASN 57 CO -0.03 -0.03 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.75 1x5e s ILE 58 N -1.77 1.16 0.05 0.60 1.09 -1.26 0.44 121.20 121.50 1x5e s ILE 58 Ca 0.44 -0.71 -0.14 0.00 -1.10 0.00 0.00 60.65 59.14 1x5e s ILE 58 Cb -0.12 -0.98 0.02 0.00 -1.06 0.00 0.00 42.46 40.32 1x5e s ILE 58 CO 0.24 0.26 0.30 0.00 -0.10 0.00 0.00 174.94 175.64 1x5e s ALA 59 N -0.45 -0.67 -0.05 9.38 0.00 0.92 -0.72 121.76 130.17 1x5e s ALA 59 Ca 0.05 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.05 1x5e s ALA 59 Cb -0.06 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1x5e s ALA 59 CO -0.00 -0.42 -0.22 -1.59 0.00 0.00 0.00 175.76 173.53 1x5e s LYS 60 N -2.59 2.19 0.10 0.00 -2.85 0.57 -2.79 119.74 114.37 1x5e s LYS 60 Ca -0.05 -0.79 0.07 0.00 -1.00 0.00 0.00 55.97 54.20 1x5e s LYS 60 Cb -0.01 -1.90 -0.04 0.00 -2.06 0.00 0.00 37.83 33.82 1x5e s LYS 60 CO -0.04 0.35 -0.10 0.08 0.10 0.00 0.00 175.35 175.75 1x5e s VAL 61 N -0.15 3.40 -0.25 1.79 1.01 -1.23 -3.76 120.40 121.23 1x5e s VAL 61 Ca -0.02 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 60.66 1x5e s VAL 61 Cb -0.12 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1x5e s VAL 61 CO 0.03 0.11 -0.01 1.51 0.00 0.00 0.00 175.10 176.74 1x5e s ASP 62 N -2.21 4.53 0.23 3.32 1.47 -1.26 -3.31 116.67 119.44 1x5e s ASP 62 Ca 0.22 -0.57 0.04 0.00 1.18 0.00 0.00 52.55 53.42 1x5e s ASP 62 Cb -0.11 -1.76 0.23 0.00 -0.34 0.00 0.00 42.92 40.93 1x5e s ASP 62 CO 0.14 -0.08 1.55 -0.37 0.68 0.00 0.00 175.17 177.08 1x5e h VAL 63 N 5.83 1.38 0.00 2.11 -1.51 -1.77 0.27 116.25 122.57 1x5e h VAL 63 Ca -0.37 -1.99 -0.16 0.00 -1.23 0.00 0.00 66.70 62.95 1x5e h VAL 63 Cb 1.14 2.00 0.01 0.00 -2.13 0.00 0.00 31.29 32.32 1x5e h VAL 63 CO 0.60 0.59 -0.64 0.00 -1.23 0.00 0.00 177.57 176.88 1x5e h THR 64 N 0.19 1.42 -0.01 7.19 1.03 -1.94 -3.33 112.91 117.47 1x5e h THR 64 Ca -0.01 -2.10 -0.22 0.00 -0.01 0.00 0.00 66.41 64.07 1x5e h THR 64 Cb 1.12 2.59 0.02 0.00 -1.07 0.00 0.00 68.15 70.81 1x5e h THR 64 CO 0.10 0.62 -0.84 -0.33 -0.01 0.00 0.00 175.52 175.05 1x5e h GLU 65 N -0.07 0.58 -3.87 0.00 4.39 -1.98 -3.40 114.58 110.24 1x5e h GLU 65 Ca -0.08 -0.62 -0.74 0.00 0.34 0.00 0.00 59.36 58.26 1x5e h GLU 65 Cb 1.35 0.17 -0.30 0.00 -0.10 0.00 0.00 28.75 29.87 1x5e h GLU 65 CO 0.13 1.23 -0.21 -0.65 -1.16 0.00 0.00 179.01 178.35 1x5e s GLN 66 N -3.29 2.92 0.48 2.33 -1.52 0.93 -4.90 119.66 116.61 1x5e s GLN 66 Ca -0.11 -2.29 0.26 0.00 -1.95 0.00 0.00 55.36 51.27 1x5e s GLN 66 Cb 0.05 -4.04 1.12 0.00 -0.22 0.00 0.00 33.01 29.92 1x5e s GLN 66 CO 0.88 -1.23 1.91 -1.00 -0.25 0.00 0.00 175.29 175.60 1x5e h PRO 67 N 7.71 0.00 0.00 2.91 0.13 -1.78 -3.24 132.00 137.72 1x5e h PRO 67 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1x5e h PRO 67 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1x5e h PRO 67 CO 0.78 0.17 -0.02 0.78 -0.23 0.00 0.00 178.00 179.48 1x5e h GLY 68 N 1.78 0.00 -1.56 1.56 0.00 -1.90 -3.33 103.07 99.61 1x5e h GLY 68 Ca -0.00 0.00 0.51 0.00 0.00 0.00 0.00 47.33 47.84 1x5e h GLY 68 CO 0.02 0.00 1.22 1.41 0.00 0.00 0.00 176.54 179.20 1x5e h LEU 69 N -0.91 0.05 0.15 3.11 3.38 -1.93 0.37 115.31 119.53 1x5e h LEU 69 Ca 0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1x5e h LEU 69 Cb 0.02 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1x5e h LEU 69 CO 0.00 -0.04 -0.20 -1.28 0.09 0.00 0.00 178.44 177.01 1x5e h SER 70 N 0.01 -0.56 -0.16 -0.43 0.87 -1.66 -2.95 113.55 108.67 1x5e h SER 70 Ca 0.86 0.06 -0.21 0.00 -1.23 0.00 0.00 61.79 61.27 1x5e h SER 70 Cb 3.32 0.20 0.01 0.00 -0.44 0.00 0.00 62.40 65.49 1x5e h SER 70 CO -0.10 -0.29 -0.71 1.23 -0.53 0.00 0.00 176.83 176.43 1x5e h GLY 71 N -0.41 0.84 0.68 5.77 0.00 -0.44 -0.33 103.07 109.19 1x5e h GLY 71 Ca 0.02 -1.17 0.03 0.00 0.00 0.00 0.00 47.33 46.20 1x5e h GLY 71 CO -0.09 1.04 0.64 -0.09 0.00 0.00 0.00 176.54 178.04 1x5e h ARG 72 N 0.49 0.00 0.00 4.80 2.43 -1.20 0.36 114.38 121.26 1x5e h ARG 72 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1x5e h ARG 72 Cb 1.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1x5e h ARG 72 CO 0.15 0.00 -0.94 1.19 -1.51 0.00 0.00 179.97 178.86 1x5e n PHE 73 N -2.82 0.00 -3.12 2.20 3.01 -1.13 -4.59 117.46 111.01 1x5e n PHE 73 Ca 0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.33 1x5e n PHE 73 Cb 0.69 -0.05 0.07 0.00 -0.01 0.00 0.00 39.48 40.19 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 -1.49 -6.10 -1.78 4.37 -0.00 0.12 -4.87 119.36 109.60 1x5e n ILE 74 Ca -0.00 -0.69 -0.39 0.00 -0.00 0.00 0.00 62.75 61.67 1x5e n ILE 74 Cb 0.06 -5.11 -0.03 0.00 -0.00 0.00 0.00 39.64 34.56 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 -3.31 3.19 0.10 1.39 -1.09 -1.06 -4.84 121.20 115.58 1x5e s ILE 75 Ca 0.14 0.15 -0.15 0.00 -2.23 0.00 0.00 60.65 58.57 1x5e s ILE 75 Cb -0.02 -3.38 -0.07 0.00 -1.58 0.00 0.00 42.46 37.41 1x5e s ILE 75 CO 0.62 -0.32 1.45 -0.55 -1.23 0.00 0.00 174.94 174.90 1x5e h ASN 76 N 16.17 0.74 -5.59 3.58 7.08 -1.93 -3.47 115.58 132.16 1x5e h ASN 76 Ca -0.30 -0.44 -0.25 0.00 -3.08 0.00 0.00 56.30 52.22 1x5e h ASN 76 Cb 1.21 -0.21 -0.14 0.00 -2.08 0.00 0.00 38.32 37.11 1x5e h ASN 76 CO 1.11 1.03 -0.52 0.00 -2.08 0.00 0.00 177.43 176.96 1x5e s ALA 77 N -4.47 1.09 0.02 4.14 0.00 -1.26 -5.18 121.76 116.09 1x5e s ALA 77 Ca -0.12 -1.65 -0.05 0.00 0.00 0.00 0.00 51.96 50.13 1x5e s ALA 77 Cb 0.09 1.36 -0.01 0.00 0.00 0.00 0.00 23.12 24.56 1x5e s ALA 77 CO 0.82 -0.64 0.09 -0.51 0.00 0.00 0.00 175.76 175.52 1x5e s LEU 78 N -3.18 1.77 1.00 0.00 1.43 -1.26 -4.26 118.68 114.18 1x5e s LEU 78 Ca 0.37 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1x5e s LEU 78 Cb 0.05 0.53 0.19 0.00 0.03 0.00 0.00 46.19 46.99 1x5e s LEU 78 CO 0.14 -0.39 1.09 -2.16 0.23 0.00 0.00 176.35 175.27 1x5e s PRO 79 N -1.71 0.44 -0.23 1.29 0.04 -1.26 -4.94 135.00 128.62 1x5e s PRO 79 Ca -0.13 0.52 -0.07 0.00 0.04 0.00 0.00 61.00 61.37 1x5e s PRO 79 Cb -0.06 -1.74 0.11 0.00 0.04 0.00 0.00 34.50 32.85 1x5e s PRO 79 CO -0.00 -2.72 0.47 0.99 0.04 0.00 0.00 177.00 175.77 1x5e s THR 80 N -2.97 -0.74 -0.13 1.26 2.01 -0.88 -4.97 115.64 109.21 1x5e s THR 80 Ca 0.65 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.66 1x5e s THR 80 Cb -0.19 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1x5e s THR 80 CO 0.58 0.03 0.17 -0.63 -0.69 0.00 0.00 174.62 174.08 1x5e s ILE 81 N 2.68 5.43 -0.07 1.82 1.01 -1.26 -0.01 121.20 130.81 1x5e s ILE 81 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1x5e s ILE 81 Cb -0.13 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1x5e s ILE 81 CO -0.15 0.56 -0.17 -0.31 0.00 0.00 0.00 174.94 174.87 1x5e s TYR 82 N -0.60 1.85 -0.28 3.97 2.02 0.21 -1.65 117.35 122.89 1x5e s TYR 82 Ca 0.14 -0.66 -0.10 0.00 -0.37 0.00 0.00 57.07 56.08 1x5e s TYR 82 Cb -0.12 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 1x5e s TYR 82 CO 0.03 -0.28 0.16 -1.58 -1.57 0.00 0.00 175.55 172.32 1x5e s HIS 83 N 0.36 3.19 -0.21 2.71 5.65 0.40 -1.46 115.29 125.93 1x5e s HIS 83 Ca -0.12 -0.04 -0.04 0.00 0.25 0.00 0.00 55.06 55.11 1x5e s HIS 83 Cb -0.15 -2.35 -0.01 0.00 -1.18 0.00 0.00 32.58 28.89 1x5e s HIS 83 CO 0.05 -0.23 -0.04 0.00 -0.65 0.00 0.00 174.74 173.87 1x5e s LYS 85 N 1.27 1.20 -1.55 0.00 2.20 -0.31 0.01 119.74 122.57 1x5e s LYS 85 Ca 0.03 -1.28 -0.04 0.00 -0.36 0.00 0.00 55.97 54.33 1x5e s LYS 85 Cb -0.14 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 1x5e s LYS 85 CO -0.01 -0.85 0.48 -0.25 -0.36 0.00 0.00 175.35 174.36 1x5e n ASP 86 N 4.62 -5.95 0.00 1.43 8.00 -1.09 -2.18 116.55 121.37 1x5e n ASP 86 Ca -0.03 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1x5e n ASP 86 Cb 0.43 -4.81 0.00 0.00 -0.02 0.00 0.00 41.12 36.72 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5e n GLY 87 N -1.42 3.09 3.59 0.44 0.00 -1.25 -4.85 105.19 104.79 1x5e n GLY 87 Ca -0.13 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1x5e n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5e s GLU 88 N 0.00 3.15 0.71 1.61 2.02 -0.93 -4.91 118.70 120.36 1x5e s GLU 88 Ca 0.00 1.30 -0.11 0.00 0.02 0.00 0.00 54.97 56.18 1x5e s GLU 88 Cb 0.00 -4.25 0.02 0.00 0.10 0.00 0.00 34.13 30.00 1x5e s GLU 88 CO 0.00 -2.08 1.07 -0.06 0.02 0.00 0.00 175.26 174.22 1x5e s PHE 89 N 7.53 3.18 -0.29 1.61 0.40 -1.26 -1.16 117.98 127.99 1x5e s PHE 89 Ca 0.79 1.22 0.01 0.00 -0.60 0.00 0.00 56.93 58.35 1x5e s PHE 89 Cb -0.21 -2.97 0.19 0.00 0.51 0.00 0.00 43.02 40.54 1x5e s PHE 89 CO 0.31 -1.28 0.56 1.03 0.70 0.00 0.00 175.22 176.54 1x5e s ARG 90 N -5.18 0.53 0.09 0.44 0.52 0.48 -3.33 118.95 112.49 1x5e s ARG 90 Ca 0.58 0.75 -0.32 0.00 -0.52 0.00 0.00 55.73 56.22 1x5e s ARG 90 Cb -0.13 0.29 -0.12 0.00 0.52 0.00 0.00 34.95 35.52 1x5e s ARG 90 CO 0.54 -0.79 1.79 -2.13 0.02 0.00 0.00 175.30 174.73 1x5e n ARG 91 N 5.41 2.54 -2.39 3.54 0.63 -1.26 -0.45 116.66 124.68 1x5e n ARG 91 Ca 0.01 0.92 -0.36 0.00 -0.92 0.00 0.00 57.85 57.50 1x5e n ARG 91 Cb 0.52 -2.78 -0.04 0.00 0.45 0.00 0.00 32.46 30.61 1x5e n ARG 91 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1x5e s TYR 92 N 2.62 2.31 0.24 -0.14 5.04 -0.66 -4.81 117.35 121.95 1x5e s TYR 92 Ca 0.83 -0.40 -0.07 0.00 -2.44 0.00 0.00 57.07 55.00 1x5e s TYR 92 Cb -0.56 -4.48 0.24 0.00 0.35 0.00 0.00 41.96 37.51 1x5e s TYR 92 CO 0.40 -1.85 1.91 1.96 -1.34 0.00 0.00 175.55 176.64 1x5e h GLN 93 N 10.11 1.20 -6.18 4.97 4.20 -1.89 -3.44 115.11 124.07 1x5e h GLN 93 Ca 0.19 -0.07 -0.25 0.00 0.06 0.00 0.00 58.65 58.57 1x5e h GLN 93 Cb 1.00 -0.27 0.14 0.00 0.30 0.00 0.00 27.48 28.65 1x5e h GLN 93 CO 1.36 0.79 -0.32 0.41 -0.67 0.00 0.00 178.83 180.40 1x5e n GLY 94 N -1.35 -2.63 0.00 3.46 0.00 -1.26 -5.00 105.19 98.40 1x5e n GLY 94 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1x5e n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5e n PRO 95 N -2.22 0.87 -2.63 1.61 -0.04 -1.26 -5.02 135.00 126.32 1x5e n PRO 95 Ca 0.06 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1x5e n PRO 95 Cb 0.39 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.89 1x5e n PRO 95 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1x5e n ARG 96 N -0.10 1.97 -4.00 0.54 1.85 -1.26 -4.87 116.66 110.79 1x5e n ARG 96 Ca 0.00 -3.62 -0.29 0.00 -1.00 0.00 0.00 57.85 52.93 1x5e n ARG 96 Cb 0.00 -1.64 -0.05 0.00 -1.05 0.00 0.00 32.46 29.72 1x5e n ARG 96 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x5e s THR 97 N -3.87 4.89 0.14 8.89 -4.23 -1.26 -4.86 115.64 115.33 1x5e s THR 97 Ca 0.33 -0.69 -0.30 0.00 -1.18 0.00 0.00 61.69 59.84 1x5e s THR 97 Cb 0.39 -3.41 -0.06 0.00 1.34 0.00 0.00 72.50 70.76 1x5e s THR 97 CO -0.02 0.06 1.57 0.50 -0.54 0.00 0.00 174.62 176.19 1x5e h LYS 98 N 2.92 -0.43 0.06 3.99 3.64 -1.98 -0.48 116.57 124.29 1x5e h LYS 98 Ca -0.47 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1x5e h LYS 98 Cb 1.17 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1x5e h LYS 98 CO 0.69 -0.29 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.25 1x5e h LYS 99 N -0.45 -0.17 -0.88 1.90 3.64 -1.97 -2.90 116.57 115.74 1x5e h LYS 99 Ca 0.09 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 1x5e h LYS 99 Cb 0.62 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.36 1x5e h LYS 99 CO -0.48 -0.11 -0.45 -0.25 -2.27 0.00 0.00 179.45 175.88 1x5e n ASP 100 N -3.02 -0.80 -0.28 4.20 9.92 -1.13 -0.77 116.55 124.67 1x5e n ASP 100 Ca -0.02 1.55 -0.07 0.00 -0.53 0.00 0.00 54.79 55.72 1x5e n ASP 100 Cb 0.09 -0.26 -0.07 0.00 -0.64 0.00 0.00 41.12 40.25 1x5e n ASP 100 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1x5e n PHE 101 N -5.17 -0.30 -0.02 1.24 3.72 -0.20 -1.48 117.46 115.25 1x5e n PHE 101 Ca 0.04 0.84 -0.00 0.00 -0.05 0.00 0.00 57.45 58.28 1x5e n PHE 101 Cb 0.27 -0.54 -0.00 0.00 -0.94 0.00 0.00 39.48 38.27 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 -4.61 -0.03 -0.32 4.37 -0.00 0.05 -0.87 119.36 117.95 1x5e n ILE 102 Ca 0.01 1.31 -0.08 0.00 -0.00 0.00 0.00 62.75 64.00 1x5e n ILE 102 Cb 0.18 -1.74 -0.04 0.00 -0.00 0.00 0.00 39.64 38.03 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 -1.75 -1.47 4.38 2.35 -1.27 1.00 115.58 118.83 1x5e h ASN 103 Ca 0.01 0.29 0.45 0.00 -0.55 0.00 0.00 56.30 56.49 1x5e h ASN 103 Cb 0.02 0.81 -0.10 0.00 0.05 0.00 0.00 38.32 39.10 1x5e h ASN 103 CO -0.04 -0.29 1.01 0.15 -1.65 0.00 0.00 177.43 176.61 1x5e h PHE 104 N -0.10 0.28 0.00 1.19 3.57 -0.33 0.88 116.94 122.43 1x5e h PHE 104 Ca 0.21 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1x5e h PHE 104 Cb 0.52 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1x5e h PHE 104 CO -0.87 -0.08 -0.36 -0.89 -2.23 0.00 0.00 178.31 173.88 1x5e n ILE 105 N -4.37 0.89 0.02 1.41 2.08 0.30 -2.28 119.36 117.41 1x5e n ILE 105 Ca 0.36 0.32 -0.11 0.00 0.56 0.00 0.00 62.75 63.88 1x5e n ILE 105 Cb 1.53 -2.05 -0.04 0.00 -0.75 0.00 0.00 39.64 38.32 1x5e n ILE 105 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1x5e h SER 106 N -0.62 -0.95 0.00 4.38 0.02 0.36 0.28 113.55 117.02 1x5e h SER 106 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1x5e h SER 106 Cb 0.36 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1x5e h SER 106 CO 0.00 -0.35 0.00 0.47 -1.14 0.00 0.00 176.83 175.81 1x5e n ASP 107 N -5.40 0.00 -4.24 3.07 8.00 0.30 -4.85 116.55 113.43 1x5e n ASP 107 Ca -0.03 -1.26 -0.39 0.00 0.71 0.00 0.00 54.79 53.82 1x5e n ASP 107 Cb 0.32 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.35 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 -0.70 -0.74 -0.14 -1.24 5.02 0.97 -4.70 118.16 116.62 1x5e n LYS 108 Ca 0.08 0.13 0.28 0.00 -2.02 0.00 0.00 58.31 56.77 1x5e n LYS 108 Cb 0.03 -4.25 0.72 0.00 -0.02 0.00 0.00 35.03 31.52 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 -0.78 0.00 -1.00 1.97 5.08 -1.60 -0.51 114.58 117.73 1x5e h GLU 109 Ca -0.54 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.12 1x5e h GLU 109 Cb 1.25 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 1x5e h GLU 109 CO 0.81 0.00 0.58 0.11 -1.00 0.00 0.00 179.01 179.51 1x5e h TRP 110 N 0.00 0.96 -0.96 4.33 5.08 -1.84 0.33 115.95 123.84 1x5e h TRP 110 Ca 0.39 0.04 0.25 0.00 1.08 0.00 0.00 58.89 60.65 1x5e h TRP 110 Cb 1.70 -0.26 -0.13 0.00 -3.00 0.00 0.00 29.16 27.47 1x5e h TRP 110 CO 0.00 -0.11 0.51 0.87 -1.28 0.00 0.00 178.44 178.44 1x5e h LYS 111 N 0.40 0.46 0.00 0.12 1.57 -1.43 0.78 116.57 118.46 1x5e h LYS 111 Ca 0.71 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.43 1x5e h LYS 111 Cb 1.54 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.74 1x5e h LYS 111 CO -0.57 0.30 -0.16 1.03 -0.57 0.00 0.00 179.45 179.49 1x5e h SER 112 N 0.47 0.00 -3.43 0.86 0.87 -0.54 -3.42 113.55 108.37 1x5e h SER 112 Ca 0.63 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.64 1x5e h SER 112 Cb 1.24 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.16 1x5e h SER 112 CO -0.52 0.16 0.15 -0.63 -0.53 0.00 0.00 176.83 175.46 1x5e s ILE 113 N -4.64 4.70 0.20 2.23 1.01 0.27 -5.05 121.20 119.92 1x5e s ILE 113 Ca -0.04 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 61.93 1x5e s ILE 113 Cb 0.16 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 1x5e s ILE 113 CO 0.68 0.39 0.91 -1.83 0.00 0.00 0.00 174.94 175.09 1x5e s GLU 114 N -0.21 4.76 1.05 2.79 -1.05 -1.26 -4.96 118.70 119.83 1x5e s GLU 114 Ca 0.38 1.41 -0.14 0.00 -0.15 0.00 0.00 54.97 56.46 1x5e s GLU 114 Cb -0.21 -3.30 0.22 0.00 -0.44 0.00 0.00 34.13 30.40 1x5e s GLU 114 CO 0.23 0.47 1.10 -1.25 0.95 0.00 0.00 175.26 176.75 1x5e s PRO 115 N -0.92 -0.00 0.03 -4.83 0.04 -1.26 -4.73 135.00 123.32 1x5e s PRO 115 Ca 0.41 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.83 1x5e s PRO 115 Cb -0.25 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1x5e s PRO 115 CO 0.30 -2.99 0.07 0.14 0.04 0.00 0.00 177.00 174.56 1x5e s VAL 116 N -2.97 4.57 -0.15 -0.36 -7.23 -1.21 -5.01 120.40 108.04 1x5e s VAL 116 Ca 0.67 -0.59 0.15 0.00 -1.81 0.00 0.00 61.98 60.41 1x5e s VAL 116 Cb -0.17 -3.13 -0.24 0.00 0.56 0.00 0.00 36.38 33.40 1x5e s VAL 116 CO 0.57 0.26 0.26 -0.24 -0.31 0.00 0.00 175.10 175.64 1x5e n SER 117 N 0.90 0.37 -4.58 4.85 2.88 -1.26 -4.71 113.62 112.07 1x5e n SER 117 Ca -0.11 0.13 -0.35 0.00 -1.33 0.00 0.00 58.87 57.21 1x5e n SER 117 Cb 0.52 0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 64.54 1x5e n SER 117 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5e s SER 118 N -5.73 5.89 -0.59 -3.46 1.04 -1.26 -4.75 113.70 104.83 1x5e s SER 118 Ca -0.09 -1.89 0.01 0.00 0.48 0.00 0.00 55.95 54.46 1x5e s SER 118 Cb 0.07 -2.58 0.42 0.00 0.10 0.00 0.00 66.02 64.03 1x5e s SER 118 CO 0.82 -2.16 1.71 1.87 0.98 0.00 0.00 173.24 176.46 1x5e n TRP 119 N 11.50 3.09 -1.60 5.02 -0.00 -1.26 -4.99 117.44 129.20 1x5e n TRP 119 Ca 0.45 -2.69 -0.44 0.00 -0.00 0.00 0.00 57.50 54.82 1x5e n TRP 119 Cb 0.47 -0.93 -0.04 0.00 -0.00 0.00 0.00 31.31 30.81 1x5e n TRP 119 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1x5e n PHE 120 N -0.71 2.06 -3.65 5.87 -0.00 -1.26 -4.94 117.46 114.83 1x5e n PHE 120 Ca 0.53 -0.11 -0.21 0.00 -0.00 0.00 0.00 57.45 57.65 1x5e n PHE 120 Cb 0.62 -2.71 -0.18 0.00 -0.00 0.00 0.00 39.48 37.22 1x5e n PHE 120 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1x5e s SER 121 N 7.00 1.41 -0.30 -2.13 1.04 -1.26 -4.68 113.70 114.78 1x5e s SER 121 Ca 0.99 -0.08 -0.09 0.00 0.48 0.00 0.00 55.95 57.25 1x5e s SER 121 Cb -0.46 -0.14 0.18 0.00 0.10 0.00 0.00 66.02 65.70 1x5e s SER 121 CO 0.40 -0.27 0.91 -0.83 0.98 0.00 0.00 173.24 174.43 1x5e s GLY 122 N 2.17 -0.57 0.11 7.32 0.00 -1.26 -5.01 107.32 110.08 1x5e s GLY 122 Ca 0.04 2.45 0.18 0.00 0.00 0.00 0.00 44.72 47.40 1x5e s GLY 122 CO -0.05 3.70 1.56 -1.55 0.00 0.00 0.00 173.10 176.76 1x5e n PRO 123 N 5.45 0.08 -4.25 2.90 -0.04 -1.26 -4.88 135.00 133.01 1x5e n PRO 123 Ca -0.04 0.33 -0.36 0.00 -0.04 0.00 0.00 63.50 63.39 1x5e n PRO 123 Cb 0.53 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 1x5e n PRO 123 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5e n SER 124 N -1.82 -2.35 -4.44 3.54 7.64 -1.26 -4.93 113.62 110.00 1x5e n SER 124 Ca 0.03 -1.07 -0.21 0.00 1.01 0.00 0.00 58.87 58.63 1x5e n SER 124 Cb 0.19 -2.53 -0.11 0.00 -1.01 0.00 0.00 64.21 60.76 1x5e n SER 124 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5e s SER 125 N -3.51 2.51 0.00 6.43 1.04 -1.26 -5.36 113.70 113.54 1x5e s SER 125 Ca 0.60 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1x5e s SER 125 Cb -0.33 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1x5e s SER 125 CO 0.94 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 175.26