#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 5.15 -0.10 1.61 0.01 -1.26 -5.06 113.70 114.05 1x5e s SER 2 Ca 0.00 -1.98 -0.08 0.00 1.31 0.00 0.00 55.95 55.19 1x5e s SER 2 Cb 0.00 -1.79 0.03 0.00 0.21 0.00 0.00 66.02 64.47 1x5e s SER 2 CO 0.00 -0.49 0.25 -0.94 0.41 0.00 0.00 173.24 172.47 1x5e s SER 3 N 1.64 -0.26 0.21 2.44 1.04 -1.26 -5.17 113.70 112.34 1x5e s SER 3 Ca 0.07 0.51 0.11 0.00 0.48 0.00 0.00 55.95 57.13 1x5e s SER 3 Cb -0.22 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 1x5e s SER 3 CO -0.04 -0.10 -0.22 -0.83 0.98 0.00 0.00 173.24 173.03 1x5e s GLY 4 N 0.31 1.75 -1.07 7.32 0.00 -1.26 -5.04 107.32 109.33 1x5e s GLY 4 Ca -0.01 -1.68 -0.24 0.00 0.00 0.00 0.00 44.72 42.79 1x5e s GLY 4 CO -0.01 -1.72 2.00 -1.35 0.00 0.00 0.00 173.10 172.03 1x5e s SER 5 N -2.87 4.72 -0.30 1.64 1.04 -1.26 -4.78 113.70 111.88 1x5e s SER 5 Ca 0.23 -1.17 -0.09 0.00 0.48 0.00 0.00 55.95 55.40 1x5e s SER 5 Cb -0.07 -2.58 0.15 0.00 0.10 0.00 0.00 66.02 63.62 1x5e s SER 5 CO 0.11 -3.33 0.72 -0.94 0.98 0.00 0.00 173.24 170.79 1x5e s SER 6 N 7.55 -1.07 -0.07 7.02 1.04 -1.26 -5.08 113.70 121.83 1x5e s SER 6 Ca 0.73 1.25 -0.06 0.00 0.48 0.00 0.00 55.95 58.35 1x5e s SER 6 Cb -0.04 2.13 0.02 0.00 0.10 0.00 0.00 66.02 68.23 1x5e s SER 6 CO 0.10 -0.20 0.11 0.61 0.98 0.00 0.00 173.24 174.84 1x5e n GLY 7 N 5.36 -5.07 0.22 7.32 0.00 -1.26 -4.89 105.19 106.86 1x5e n GLY 7 Ca -0.09 0.75 -0.05 0.00 0.00 0.00 0.00 46.02 46.63 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 3.39 0.45 -3.30 1.61 2.35 -1.96 -3.44 115.58 114.68 1x5e h ASN 8 Ca -0.25 -0.19 -0.53 0.00 -0.55 0.00 0.00 56.30 54.78 1x5e h ASN 8 Cb 0.57 -0.13 0.05 0.00 0.05 0.00 0.00 38.32 38.87 1x5e h ASN 8 CO 0.00 0.80 0.77 -0.69 -1.65 0.00 0.00 177.43 176.66 1x5e s VAL 9 N -4.23 2.69 0.08 2.81 1.01 -1.26 -4.66 120.40 116.84 1x5e s VAL 9 Ca -0.06 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 1x5e s VAL 9 Cb 0.13 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1x5e s VAL 9 CO 0.80 0.08 0.24 -0.13 0.00 0.00 0.00 175.10 176.09 1x5e s ARG 10 N -0.13 3.46 -0.42 2.72 1.81 0.16 -4.94 118.95 121.61 1x5e s ARG 10 Ca 0.61 -0.41 -0.09 0.00 -1.72 0.00 0.00 55.73 54.12 1x5e s ARG 10 Cb -0.42 -3.01 0.08 0.00 -0.45 0.00 0.00 34.95 31.16 1x5e s ARG 10 CO 0.41 0.58 0.26 0.08 -0.68 0.00 0.00 175.30 175.96 1x5e s VAL 11 N -1.55 4.17 0.25 3.52 1.01 -1.26 -0.46 120.40 126.08 1x5e s VAL 11 Ca 0.36 -1.48 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 1x5e s VAL 11 Cb -0.13 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 1x5e s VAL 11 CO 0.28 -0.55 0.70 -0.63 0.00 0.00 0.00 175.10 174.90 1x5e s ILE 12 N 1.40 4.66 0.19 2.22 -1.09 -1.23 -5.00 121.20 122.35 1x5e s ILE 12 Ca 0.03 1.07 0.01 0.00 -2.23 0.00 0.00 60.65 59.53 1x5e s ILE 12 Cb -0.23 -3.74 -0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1x5e s ILE 12 CO 0.01 0.05 0.03 0.35 -1.23 0.00 0.00 174.94 174.16 1x5e n THR 13 N 0.28 0.00 1.13 2.92 -2.24 -1.26 -4.83 114.28 110.28 1x5e n THR 13 Ca -0.00 -1.01 0.10 0.00 -2.27 0.00 0.00 64.05 60.86 1x5e n THR 13 Cb 0.52 0.29 0.55 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.51 0.00 -0.02 3.42 5.75 -1.26 -2.54 116.55 120.40 1x5e n ASP 14 Ca -0.05 -0.43 -0.03 0.00 -0.01 0.00 0.00 54.79 54.27 1x5e n ASP 14 Cb 0.27 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.26 1x5e n ASP 14 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1x5e n GLU 15 N -1.08 0.07 0.31 0.11 -0.58 -1.26 -4.64 120.64 113.56 1x5e n GLU 15 Ca 0.13 0.02 0.19 0.00 -0.42 0.00 0.00 57.16 57.09 1x5e n GLU 15 Cb 0.09 -0.90 0.99 0.00 -0.57 0.00 0.00 31.44 31.05 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1x5e h ASN 16 N -0.04 0.00 -0.88 1.62 4.21 -1.94 -3.13 115.58 115.42 1x5e h ASN 16 Ca -0.07 0.00 0.17 0.00 1.21 0.00 0.00 56.30 57.61 1x5e h ASN 16 Cb 1.09 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 38.13 1x5e h ASN 16 CO -0.02 0.02 -0.24 -2.67 -1.29 0.00 0.00 177.43 173.22 1x5e n TRP 17 N -3.23 0.27 -0.33 1.19 4.27 -1.05 0.30 117.44 118.85 1x5e n TRP 17 Ca -0.02 1.07 -0.01 0.00 -3.89 0.00 0.00 57.50 54.66 1x5e n TRP 17 Cb 0.16 -0.98 0.05 0.00 -1.36 0.00 0.00 31.31 29.18 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 -0.03 -1.31 -2.67 3.08 -1.88 0.80 114.38 112.36 1x5e h ARG 18 Ca 0.40 0.00 0.43 0.00 0.07 0.00 0.00 59.98 60.89 1x5e h ARG 18 Cb 0.62 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.55 1x5e h ARG 18 CO -0.90 -0.02 0.85 0.93 -1.07 0.00 0.00 179.97 179.75 1x5e h GLU 19 N -0.04 0.09 -0.91 0.04 3.07 -0.41 0.82 114.58 117.24 1x5e h GLU 19 Ca 0.34 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.32 1x5e h GLU 19 Cb 0.60 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.41 1x5e h GLU 19 CO -0.91 0.06 0.53 -0.07 -1.40 0.00 0.00 179.01 177.22 1x5e h LEU 20 N 0.09 0.73 -2.01 1.33 3.38 0.57 0.18 115.31 119.59 1x5e h LEU 20 Ca 0.82 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.90 1x5e h LEU 20 Cb 2.55 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 43.22 1x5e h LEU 20 CO -0.42 0.37 0.37 -0.07 0.09 0.00 0.00 178.44 178.78 1x5e h LEU 21 N 0.81 0.00 -9.48 1.67 3.38 0.60 -3.40 115.31 108.90 1x5e h LEU 21 Ca 0.47 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.84 1x5e h LEU 21 Cb 0.54 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1x5e h LEU 21 CO -0.30 0.00 -0.25 -1.61 0.09 0.00 0.00 178.44 176.38 1x5e s GLU 22 N -4.35 4.09 0.20 1.13 2.02 0.62 -2.00 118.70 120.40 1x5e s GLU 22 Ca -0.04 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1x5e s GLU 22 Cb 0.12 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 31.02 1x5e s GLU 22 CO 0.41 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.53 1x5e n GLY 23 N 2.66 -0.83 3.79 -1.39 0.00 -1.26 -4.71 105.19 103.44 1x5e n GLY 23 Ca -0.12 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.82 6.46 -0.18 1.61 1.11 -1.26 -3.34 116.67 117.26 1x5e s ASP 24 Ca 0.00 2.02 -0.07 0.00 0.18 0.00 0.00 52.55 54.68 1x5e s ASP 24 Cb 0.00 -2.58 0.08 0.00 1.07 0.00 0.00 42.92 41.49 1x5e s ASP 24 CO 0.00 -0.70 0.38 0.26 1.18 0.00 0.00 175.17 176.29 1x5e s TRP 25 N -1.79 -0.67 -0.39 4.23 0.52 0.43 -3.75 118.94 117.52 1x5e s TRP 25 Ca 0.63 1.34 -0.13 0.00 0.02 0.00 0.00 56.10 57.97 1x5e s TRP 25 Cb -0.20 0.23 0.03 0.00 -1.15 0.00 0.00 33.47 32.37 1x5e s TRP 25 CO 0.25 -0.42 0.25 -1.64 0.02 0.00 0.00 176.95 175.41 1x5e s MET 26 N 2.22 2.88 0.11 4.98 -1.94 0.91 -0.93 119.30 127.54 1x5e s MET 26 Ca -0.03 -1.06 0.06 0.00 -1.71 0.00 0.00 55.69 52.95 1x5e s MET 26 Cb -0.11 -3.84 -0.04 0.00 2.01 0.00 0.00 34.83 32.85 1x5e s MET 26 CO -0.12 -0.72 -0.04 0.42 -0.01 0.00 0.00 175.02 174.55 1x5e s ILE 27 N 1.60 3.71 -0.17 2.53 1.01 -0.89 -0.11 121.20 128.88 1x5e s ILE 27 Ca 0.03 -1.18 -0.04 0.00 0.00 0.00 0.00 60.65 59.46 1x5e s ILE 27 Cb -0.19 -2.77 0.08 0.00 0.01 0.00 0.00 42.46 39.59 1x5e s ILE 27 CO 0.08 0.07 0.20 -1.83 0.00 0.00 0.00 174.94 173.46 1x5e s GLU 28 N -2.39 0.15 -0.00 2.79 4.04 -1.11 -0.93 118.70 121.25 1x5e s GLU 28 Ca 0.24 0.28 -0.30 0.00 0.04 0.00 0.00 54.97 55.23 1x5e s GLU 28 Cb -0.11 -1.02 -0.03 0.00 0.02 0.00 0.00 34.13 32.99 1x5e s GLU 28 CO 0.17 -0.57 1.06 -0.06 -1.84 0.00 0.00 175.26 174.02 1x5e s PHE 29 N 2.31 3.54 0.29 4.83 0.40 -0.53 -2.70 117.98 126.11 1x5e s PHE 29 Ca 0.05 1.53 0.03 0.00 -0.60 0.00 0.00 56.93 57.94 1x5e s PHE 29 Cb -0.15 -3.24 -0.06 0.00 0.51 0.00 0.00 43.02 40.09 1x5e s PHE 29 CO -0.10 -0.50 0.07 1.52 0.70 0.00 0.00 175.22 176.91 1x5e s TYR 30 N 1.27 1.76 -0.07 0.36 -0.85 -1.12 -3.04 117.35 115.66 1x5e s TYR 30 Ca 0.54 -1.04 -0.05 0.00 -0.52 0.00 0.00 57.07 55.99 1x5e s TYR 30 Cb -0.23 -1.10 0.03 0.00 0.38 0.00 0.00 41.96 41.03 1x5e s TYR 30 CO 0.26 -0.13 0.18 0.00 -1.52 0.00 0.00 175.55 174.34 1x5e s ALA 31 N -3.49 -0.41 0.19 9.51 0.00 -1.26 -3.36 121.76 122.93 1x5e s ALA 31 Ca 0.36 0.61 0.28 0.00 0.00 0.00 0.00 51.96 53.21 1x5e s ALA 31 Cb 0.08 -0.37 1.16 0.00 0.00 0.00 0.00 23.12 23.99 1x5e s ALA 31 CO 0.14 -0.12 1.92 -1.00 0.00 0.00 0.00 175.76 176.71 1x5e h PRO 32 N 6.38 0.00 -0.85 0.00 0.13 -1.99 -2.78 132.00 132.88 1x5e h PRO 32 Ca -0.31 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.46 1x5e h PRO 32 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1x5e h PRO 32 CO 0.40 0.14 0.45 -2.67 -0.23 0.00 0.00 178.00 176.09 1x5e n TRP 33 N -3.35 2.72 -3.92 1.56 4.27 -1.26 -4.89 117.44 112.58 1x5e n TRP 33 Ca -0.00 -1.52 -0.18 0.00 -3.89 0.00 0.00 57.50 51.91 1x5e n TRP 33 Cb 0.36 -0.81 -0.16 0.00 -1.36 0.00 0.00 31.31 29.33 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 7.40 -0.07 -1.13 0.00 0.13 -1.90 -2.97 132.00 133.45 1x5e h PRO 35 Ca -0.39 0.01 0.36 0.00 -0.87 0.00 0.00 66.00 65.11 1x5e h PRO 35 Cb 1.13 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.15 1x5e h PRO 35 CO 0.44 0.38 0.69 0.00 -0.23 0.00 0.00 178.00 179.28 1x5e h ALA 36 N 0.33 2.32 -0.07 -0.56 0.00 -1.95 0.27 119.26 119.61 1x5e h ALA 36 Ca -0.01 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1x5e h ALA 36 Cb 0.49 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1x5e h ALA 36 CO 0.01 -0.92 -0.18 0.00 0.00 0.00 0.00 179.25 178.16 1x5e h GLN 38 N -0.26 0.08 -0.24 0.00 4.20 -0.32 0.28 115.11 118.84 1x5e h GLN 38 Ca -0.00 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1x5e h GLN 38 Cb 0.79 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 1x5e h GLN 38 CO 0.04 0.05 -0.55 -0.91 -0.67 0.00 0.00 178.83 176.79 1x5e h ASN 39 N 0.08 0.81 0.96 1.46 2.35 -1.30 -3.14 115.58 116.80 1x5e h ASN 39 Ca 0.42 -0.44 -0.17 0.00 -0.55 0.00 0.00 56.30 55.56 1x5e h ASN 39 Cb 1.53 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 1x5e h ASN 39 CO -0.04 1.20 -0.81 0.25 -1.65 0.00 0.00 177.43 176.38 1x5e h LEU 40 N 0.56 0.00 -0.77 1.61 5.85 -0.56 -3.33 115.31 118.66 1x5e h LEU 40 Ca 0.01 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1x5e h LEU 40 Cb 1.13 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.06 1x5e h LEU 40 CO 0.11 0.81 -0.38 0.00 -0.34 0.00 0.00 178.44 178.65 1x5e n GLN 41 N -3.45 -0.26 -0.06 1.25 1.13 0.42 -0.26 117.38 116.15 1x5e n GLN 41 Ca -0.00 1.17 -0.13 0.00 -1.94 0.00 0.00 57.00 56.10 1x5e n GLN 41 Cb 0.81 -1.73 -0.06 0.00 0.11 0.00 0.00 30.24 29.37 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 0.45 -0.92 -1.09 0.13 -1.73 -3.11 132.00 125.72 1x5e h PRO 42 Ca 0.20 -0.24 0.21 0.00 -0.87 0.00 0.00 66.00 65.30 1x5e h PRO 42 Cb 0.39 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.46 1x5e h PRO 42 CO -0.74 0.80 0.61 0.93 -0.23 0.00 0.00 178.00 179.37 1x5e h GLU 43 N 0.11 0.38 0.27 0.86 3.07 -0.80 -1.57 114.58 116.90 1x5e h GLU 43 Ca 0.03 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1x5e h GLU 43 Cb 0.72 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1x5e h GLU 43 CO 0.05 0.25 -0.13 2.35 -1.40 0.00 0.00 179.01 180.12 1x5e h TRP 44 N 0.39 -0.34 -0.75 4.33 -0.00 -0.57 -2.51 115.95 116.50 1x5e h TRP 44 Ca 0.48 -0.01 0.17 0.00 -0.00 0.00 0.00 58.89 59.54 1x5e h TRP 44 Cb 1.24 0.11 -0.12 0.00 -0.00 0.00 0.00 29.16 30.39 1x5e h TRP 44 CO -0.00 -0.00 0.13 0.93 -0.00 0.00 0.00 178.44 179.50 1x5e h GLU 45 N -0.73 0.20 0.00 2.65 5.08 -1.26 0.55 114.58 121.07 1x5e h GLU 45 Ca -0.04 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1x5e h GLU 45 Cb 0.49 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1x5e h GLU 45 CO 0.06 0.14 -0.21 0.77 -1.00 0.00 0.00 179.01 178.76 1x5e h SER 46 N 0.21 0.00 0.25 1.42 0.02 -1.42 -2.98 113.55 111.06 1x5e h SER 46 Ca 0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1x5e h SER 46 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1x5e h SER 46 CO -0.57 0.21 -0.12 0.15 -1.14 0.00 0.00 176.83 175.37 1x5e h PHE 47 N 0.00 -0.31 -0.35 3.45 3.57 0.47 -3.17 116.94 120.60 1x5e h PHE 47 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1x5e h PHE 47 Cb 0.38 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1x5e h PHE 47 CO 0.00 -0.00 0.68 0.00 -2.23 0.00 0.00 178.31 176.76 1x5e h ALA 48 N -0.70 2.04 0.28 2.41 0.00 -0.92 -1.13 119.26 121.25 1x5e h ALA 48 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x5e h ALA 48 Cb 0.45 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1x5e h ALA 48 CO 0.06 -0.86 -0.52 0.93 0.00 0.00 0.00 179.25 178.86 1x5e h GLU 49 N 0.00 -0.83 -0.01 0.00 5.08 -1.49 -2.54 114.58 114.79 1x5e h GLU 49 Ca 0.16 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1x5e h GLU 49 Cb 1.52 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1x5e h GLU 49 CO -0.00 -0.55 -0.29 -2.67 -1.00 0.00 0.00 179.01 174.49 1x5e n TRP 50 N -5.52 0.00 -0.00 4.33 4.27 -0.61 -4.46 117.44 115.45 1x5e n TRP 50 Ca -0.10 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.50 1x5e n TRP 50 Cb 0.44 -0.14 -0.01 0.00 -1.36 0.00 0.00 31.31 30.24 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 4.94 -1.52 0.80 -1.67 0.00 -0.80 -0.76 103.07 104.06 1x5e h GLY 51 Ca 0.00 0.67 0.16 0.00 0.00 0.00 0.00 47.33 48.17 1x5e h GLY 51 CO 0.00 -0.56 0.44 1.05 0.00 0.00 0.00 176.54 177.47 1x5e h GLU 52 N -0.06 0.09 -0.94 4.80 4.11 -1.55 -0.00 114.58 121.03 1x5e h GLU 52 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x5e h GLU 52 Cb 0.07 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1x5e h GLU 52 CO -0.04 0.06 0.60 -0.44 0.07 0.00 0.00 179.01 179.26 1x5e h ASP 53 N 0.09 1.10 -0.14 3.06 3.32 -1.45 -0.62 116.42 121.79 1x5e h ASP 53 Ca 0.30 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1x5e h ASP 53 Cb 1.05 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1x5e h ASP 53 CO -0.03 0.82 0.00 0.18 -1.72 0.00 0.00 179.24 178.49 1x5e n LEU 54 N -4.40 1.30 -2.61 1.55 4.77 -0.04 -4.87 117.00 112.71 1x5e n LEU 54 Ca 0.11 -0.66 -0.10 0.00 -0.03 0.00 0.00 56.01 55.33 1x5e n LEU 54 Cb 0.03 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 40.89 1x5e n LEU 54 CO 0.37 0.26 0.05 1.21 -1.33 0.00 0.00 177.39 177.94 1x5e n GLU 55 N 0.02 -2.88 -3.75 3.23 2.13 -0.24 -4.95 120.64 114.20 1x5e n GLU 55 Ca 0.05 0.56 -0.13 0.00 0.66 0.00 0.00 57.16 58.30 1x5e n GLU 55 Cb 0.26 -4.50 -0.10 0.00 0.27 0.00 0.00 31.44 27.37 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 -3.24 0.02 0.02 6.31 0.11 -1.08 -4.90 120.40 117.64 1x5e s VAL 56 Ca 0.15 -0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 58.97 1x5e s VAL 56 Cb -0.02 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1x5e s VAL 56 CO 0.48 -0.09 0.27 0.20 -3.33 0.00 0.00 175.10 172.63 1x5e s ASN 57 N -0.38 6.49 -0.02 3.54 0.01 -1.25 -2.26 114.94 121.08 1x5e s ASN 57 Ca -0.05 0.55 0.06 0.00 -0.71 0.00 0.00 52.86 52.70 1x5e s ASN 57 Cb -0.03 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.53 1x5e s ASN 57 CO 0.02 0.23 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.03 1x5e s ILE 58 N -1.33 1.45 0.13 0.60 1.09 -1.26 -0.06 121.20 121.81 1x5e s ILE 58 Ca 0.29 -0.78 -0.10 0.00 -1.10 0.00 0.00 60.65 58.96 1x5e s ILE 58 Cb -0.13 -1.21 0.00 0.00 -1.06 0.00 0.00 42.46 40.06 1x5e s ILE 58 CO 0.17 0.41 0.27 0.00 -0.10 0.00 0.00 174.94 175.69 1x5e s ALA 59 N -0.38 -0.23 0.09 9.38 0.00 0.84 0.39 121.76 131.84 1x5e s ALA 59 Ca 0.06 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.43 1x5e s ALA 59 Cb -0.07 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 1x5e s ALA 59 CO -0.00 -0.60 -0.19 -1.59 0.00 0.00 0.00 175.76 173.38 1x5e s LYS 60 N -3.90 1.02 0.11 0.00 -2.85 0.39 -2.75 119.74 111.76 1x5e s LYS 60 Ca 0.10 -1.09 0.11 0.00 -1.00 0.00 0.00 55.97 54.09 1x5e s LYS 60 Cb 0.04 -1.19 -0.04 0.00 -2.06 0.00 0.00 37.83 34.58 1x5e s LYS 60 CO -0.06 0.27 -0.27 0.08 0.10 0.00 0.00 175.35 175.48 1x5e s VAL 61 N -1.21 2.22 -0.22 1.79 1.01 -1.10 -3.53 120.40 119.37 1x5e s VAL 61 Ca 0.04 -1.69 -0.02 0.00 0.00 0.00 0.00 61.98 60.30 1x5e s VAL 61 Cb -0.10 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1x5e s VAL 61 CO 0.04 0.13 -0.08 -1.81 0.00 0.00 0.00 175.10 173.38 1x5e s ASP 62 N -1.91 4.02 -0.07 3.32 1.11 -1.26 -2.79 116.67 119.09 1x5e s ASP 62 Ca 0.13 -0.53 0.02 0.00 0.18 0.00 0.00 52.55 52.35 1x5e s ASP 62 Cb -0.10 -1.67 0.14 0.00 1.07 0.00 0.00 42.92 42.37 1x5e s ASP 62 CO 0.05 -0.03 0.99 1.33 1.18 0.00 0.00 175.17 178.68 1x5e n VAL 63 N 4.74 1.03 0.00 -1.27 0.24 -1.22 -2.07 118.33 119.79 1x5e n VAL 63 Ca -0.19 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1x5e n VAL 63 Cb 0.50 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 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 -0.03 3.34 -2.24 -1.26 -4.82 114.28 109.43 1x5e n THR 64 Ca 0.09 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 1x5e n THR 64 Cb 0.60 -0.41 -0.15 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.30 0.68 -3.58 -0.78 -0.58 -1.22 -4.78 120.64 109.07 1x5e n GLU 65 Ca 0.00 -0.14 -0.40 0.00 -0.42 0.00 0.00 57.16 56.20 1x5e n GLU 65 Cb 0.22 -1.46 -0.07 0.00 -0.57 0.00 0.00 31.44 29.56 1x5e n GLU 65 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1x5e s GLN 66 N -3.16 2.78 0.43 3.49 -1.52 -0.88 -4.91 119.66 115.90 1x5e s GLN 66 Ca -0.07 -2.31 0.22 0.00 -1.95 0.00 0.00 55.36 51.25 1x5e s GLN 66 Cb 0.11 -3.95 0.94 0.00 -0.22 0.00 0.00 33.01 29.89 1x5e s GLN 66 CO 0.79 -1.20 1.85 -1.00 -0.25 0.00 0.00 175.29 175.48 1x5e h PRO 67 N 7.59 0.00 0.00 2.91 0.13 -1.86 -2.42 132.00 138.35 1x5e h PRO 67 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 1x5e h PRO 67 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1x5e h PRO 67 CO 0.76 0.27 -0.19 0.78 -0.23 0.00 0.00 178.00 179.39 1x5e h GLY 68 N 1.70 0.00 0.76 1.56 0.00 -1.96 -3.33 103.07 101.80 1x5e h GLY 68 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.38 1x5e h GLY 68 CO 0.03 0.00 0.56 1.41 0.00 0.00 0.00 176.54 178.55 1x5e h LEU 69 N -1.00 0.90 -0.27 3.11 3.38 -1.91 -2.29 115.31 117.24 1x5e h LEU 69 Ca -0.04 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1x5e h LEU 69 Cb 0.60 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1x5e h LEU 69 CO -0.02 0.59 -0.45 -1.28 0.09 0.00 0.00 178.44 177.36 1x5e h SER 70 N 1.04 -1.48 -0.75 -0.43 0.87 -1.59 -1.05 113.55 110.16 1x5e h SER 70 Ca 0.38 0.19 -0.49 0.00 -1.23 0.00 0.00 61.79 60.64 1x5e h SER 70 Cb 0.13 0.60 -0.22 0.00 -0.44 0.00 0.00 62.40 62.47 1x5e h SER 70 CO -0.16 -0.35 0.63 0.61 -0.53 0.00 0.00 176.83 177.03 1x5e n GLY 71 N -1.32 4.81 0.92 5.77 0.00 -1.12 -3.93 105.19 110.33 1x5e n GLY 71 Ca -0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.41 0.06 -0.55 1.61 0.63 -0.42 -4.71 116.66 112.87 1x5e n ARG 72 Ca 0.47 0.02 -0.05 0.00 -0.92 0.00 0.00 57.85 57.38 1x5e n ARG 72 Cb 0.78 -0.59 0.01 0.00 0.45 0.00 0.00 32.46 33.11 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 -3.19 0.45 -3.95 -0.14 3.01 -1.08 -4.78 117.46 107.77 1x5e n PHE 73 Ca -0.05 -1.19 -0.33 0.00 1.01 0.00 0.00 57.45 56.89 1x5e n PHE 73 Cb 0.46 -0.59 -0.06 0.00 -0.01 0.00 0.00 39.48 39.28 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 1.02 0.00 -1.73 4.37 -5.35 -1.26 -4.70 119.36 111.71 1x5e n ILE 74 Ca 0.09 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.35 1x5e n ILE 74 Cb 0.55 -0.39 -0.06 0.00 -1.74 0.00 0.00 39.64 38.00 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 -2.83 3.15 -0.06 7.28 -1.09 -1.25 -4.78 121.20 121.62 1x5e s ILE 75 Ca 0.65 -0.09 -0.24 0.00 -2.23 0.00 0.00 60.65 58.75 1x5e s ILE 75 Cb -0.38 -3.35 -0.19 0.00 -1.58 0.00 0.00 42.46 36.96 1x5e s ILE 75 CO 0.80 -0.33 0.97 0.78 -1.23 0.00 0.00 174.94 175.93 1x5e h ASN 76 N 13.41 -0.09 -4.77 3.58 2.35 -1.92 -3.48 115.58 124.67 1x5e h ASN 76 Ca -0.02 -0.51 -0.50 0.00 -0.55 0.00 0.00 56.30 54.72 1x5e h ASN 76 Cb 1.05 0.02 -0.12 0.00 0.05 0.00 0.00 38.32 39.32 1x5e h ASN 76 CO 1.10 0.52 -0.45 0.00 -1.65 0.00 0.00 177.43 176.95 1x5e n ALA 77 N -2.50 0.61 -2.99 -0.83 0.00 -1.26 -5.18 120.51 108.35 1x5e n ALA 77 Ca -0.08 -1.94 -0.10 0.00 0.00 0.00 0.00 53.44 51.31 1x5e n ALA 77 Cb 0.29 1.41 -0.10 0.00 0.00 0.00 0.00 19.45 21.06 1x5e n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x5e s LEU 78 N 0.00 1.67 1.02 0.00 1.43 -1.26 -4.28 118.68 117.26 1x5e s LEU 78 Ca 0.27 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 1x5e s LEU 78 Cb 0.01 0.62 0.20 0.00 0.03 0.00 0.00 46.19 47.05 1x5e s LEU 78 CO 0.19 -0.41 1.09 -2.16 0.23 0.00 0.00 176.35 175.30 1x5e s PRO 79 N -1.75 0.28 -0.29 1.29 0.04 -1.26 -4.84 135.00 128.47 1x5e s PRO 79 Ca -0.12 0.47 -0.02 0.00 0.04 0.00 0.00 61.00 61.37 1x5e s PRO 79 Cb -0.06 -1.72 0.17 0.00 0.04 0.00 0.00 34.50 32.93 1x5e s PRO 79 CO -0.00 -2.83 0.55 0.99 0.04 0.00 0.00 177.00 175.75 1x5e s THR 80 N -2.97 -0.90 0.20 1.26 2.01 -1.17 -4.98 115.64 109.08 1x5e s THR 80 Ca 0.66 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.56 1x5e s THR 80 Cb -0.19 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.31 1x5e s THR 80 CO 0.58 -0.03 0.49 -0.63 -0.69 0.00 0.00 174.62 174.34 1x5e s ILE 81 N 2.79 5.01 -0.05 1.82 1.01 -1.26 -1.46 121.20 129.06 1x5e s ILE 81 Ca 0.18 0.33 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 1x5e s ILE 81 Cb -0.15 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.73 1x5e s ILE 81 CO -0.20 -0.02 0.05 -0.31 0.00 0.00 0.00 174.94 174.47 1x5e s TYR 82 N -1.75 0.16 -0.49 3.97 2.02 -0.10 -2.24 117.35 118.91 1x5e s TYR 82 Ca 0.45 0.16 -0.20 0.00 -0.37 0.00 0.00 57.07 57.11 1x5e s TYR 82 Cb -0.12 -0.54 0.05 0.00 -0.40 0.00 0.00 41.96 40.95 1x5e s TYR 82 CO 0.22 -0.23 0.65 -1.58 -1.57 0.00 0.00 175.55 173.04 1x5e s HIS 83 N 2.14 3.03 -0.42 2.71 5.65 -0.37 -2.09 115.29 125.94 1x5e s HIS 83 Ca 0.05 -0.39 -0.18 0.00 0.25 0.00 0.00 55.06 54.79 1x5e s HIS 83 Cb -0.12 -3.52 0.02 0.00 -1.18 0.00 0.00 32.58 27.78 1x5e s HIS 83 CO -0.04 -1.01 0.46 0.00 -0.65 0.00 0.00 174.74 173.50 1x5e s LYS 85 N 2.23 2.38 -1.15 0.00 2.20 1.00 -0.42 119.74 125.98 1x5e s LYS 85 Ca 0.14 -1.26 -0.09 0.00 -0.36 0.00 0.00 55.97 54.40 1x5e s LYS 85 Cb -0.17 -2.90 0.08 0.00 -1.51 0.00 0.00 37.83 33.34 1x5e s LYS 85 CO 0.14 -0.53 0.39 -0.25 -0.36 0.00 0.00 175.35 174.75 1x5e n ASP 86 N 4.49 -3.09 0.00 1.43 9.92 -1.21 -0.15 116.55 127.94 1x5e n ASP 86 Ca -0.15 -0.32 0.00 0.00 -0.53 0.00 0.00 54.79 53.79 1x5e n ASP 86 Cb 0.43 -2.60 0.00 0.00 -0.64 0.00 0.00 41.12 38.31 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x5e n GLY 87 N -1.03 3.09 3.73 0.44 0.00 -0.84 -4.92 105.19 105.66 1x5e n GLY 87 Ca -0.01 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 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 2.20 -5.28 1.61 -0.58 0.78 -4.94 120.64 114.44 1x5e n GLU 88 Ca 0.00 0.78 -0.31 0.00 -0.42 0.00 0.00 57.16 57.20 1x5e n GLU 88 Cb 0.00 -2.48 -0.16 0.00 -0.57 0.00 0.00 31.44 28.23 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 -1.16 2.40 -0.11 -0.32 0.08 -1.26 -0.00 117.98 117.62 1x5e s PHE 89 Ca 0.58 -0.64 -0.03 0.00 0.12 0.00 0.00 56.93 56.96 1x5e s PHE 89 Cb -0.50 -1.57 0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1x5e s PHE 89 CO 0.60 -0.17 0.04 1.03 -0.10 0.00 0.00 175.22 176.62 1x5e s ARG 90 N -0.29 0.34 -0.07 0.44 0.52 -0.66 -1.39 118.95 117.84 1x5e s ARG 90 Ca 0.00 0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 54.93 1x5e s ARG 90 Cb -0.13 -1.29 -0.04 0.00 0.52 0.00 0.00 34.95 34.00 1x5e s ARG 90 CO 0.02 -0.46 1.50 0.50 0.02 0.00 0.00 175.30 176.88 1x5e s ARG 91 N 2.03 4.21 -0.10 3.54 3.52 -1.26 -1.24 118.95 129.66 1x5e s ARG 91 Ca 0.03 2.01 -0.34 0.00 -0.13 0.00 0.00 55.73 57.30 1x5e s ARG 91 Cb -0.14 -3.84 -0.11 0.00 -1.56 0.00 0.00 34.95 29.29 1x5e s ARG 91 CO -0.06 -0.76 1.90 0.98 -0.81 0.00 0.00 175.30 176.56 1x5e n TYR 92 N 6.63 2.31 -2.48 5.12 4.19 -0.95 -4.88 117.16 127.10 1x5e n TYR 92 Ca 0.16 -0.01 -0.31 0.00 3.31 0.00 0.00 57.90 61.04 1x5e n TYR 92 Cb 0.43 -2.67 0.00 0.00 0.49 0.00 0.00 39.34 37.60 1x5e n TYR 92 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1x5e n GLN 93 N 6.79 3.45 -3.65 2.98 6.02 -1.26 -4.78 117.38 126.93 1x5e n GLN 93 Ca 0.23 -4.39 -0.15 0.00 -0.01 0.00 0.00 57.00 52.68 1x5e n GLN 93 Cb 0.30 -2.28 -0.05 0.00 1.02 0.00 0.00 30.24 29.23 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 -0.40 3.29 0.03 1.08 0.00 -1.26 -5.03 105.19 102.91 1x5e n GLY 94 Ca 0.41 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.52 0.05 -3.25 1.61 -0.04 -1.26 -4.90 135.00 126.69 1x5e n PRO 95 Ca 0.03 0.30 -0.15 0.00 -0.04 0.00 0.00 63.50 63.63 1x5e n PRO 95 Cb 0.44 -1.59 0.08 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.68 -4.94 -4.62 0.54 1.74 -1.26 -5.02 116.66 101.42 1x5e n ARG 96 Ca 0.03 0.78 -0.30 0.00 -0.77 0.00 0.00 57.85 57.59 1x5e n ARG 96 Cb 0.18 -5.56 -0.13 0.00 -1.02 0.00 0.00 32.46 25.94 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 -3.34 2.55 0.11 0.55 -4.23 -1.26 -4.97 115.64 105.05 1x5e s THR 97 Ca 0.12 -1.38 -0.21 0.00 -1.18 0.00 0.00 61.69 59.03 1x5e s THR 97 Cb -0.02 -2.08 -0.05 0.00 1.34 0.00 0.00 72.50 71.70 1x5e s THR 97 CO 0.67 0.27 1.14 1.17 -0.54 0.00 0.00 174.62 177.32 1x5e n LYS 98 N 1.38 -0.30 0.02 3.99 4.81 -1.26 -0.55 118.16 126.25 1x5e n LYS 98 Ca -0.17 1.12 -0.03 0.00 -0.87 0.00 0.00 58.31 58.37 1x5e n LYS 98 Cb 0.52 -1.64 -0.01 0.00 0.02 0.00 0.00 35.03 33.92 1x5e n LYS 98 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1x5e h LYS 99 N 0.00 -0.12 -0.86 1.64 3.64 -1.97 -2.82 116.57 116.08 1x5e h LYS 99 Ca 0.11 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.61 1x5e h LYS 99 Cb 0.28 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.01 1x5e h LYS 99 CO -0.65 -0.08 -0.41 -0.25 -2.27 0.00 0.00 179.45 175.79 1x5e n ASP 100 N -2.86 -0.71 -0.26 4.20 9.92 -0.53 -0.79 116.55 125.52 1x5e n ASP 100 Ca -0.01 1.52 -0.07 0.00 -0.53 0.00 0.00 54.79 55.69 1x5e n ASP 100 Cb 0.06 -0.28 -0.06 0.00 -0.64 0.00 0.00 41.12 40.20 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 -5.19 -0.28 -0.07 1.24 3.72 0.29 -1.54 117.46 115.63 1x5e n PHE 101 Ca 0.06 0.78 -0.02 0.00 -0.05 0.00 0.00 57.45 58.22 1x5e n PHE 101 Cb 0.29 -0.54 -0.02 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 -4.44 -0.12 -0.26 4.37 -0.00 0.03 -0.29 119.36 118.66 1x5e n ILE 102 Ca 0.01 1.37 -0.04 0.00 -0.00 0.00 0.00 62.75 64.10 1x5e n ILE 102 Cb 0.16 -1.79 0.02 0.00 -0.00 0.00 0.00 39.64 38.04 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 -1.21 -1.31 4.38 2.35 -1.28 0.81 115.58 119.32 1x5e h ASN 103 Ca 0.03 0.25 0.39 0.00 -0.55 0.00 0.00 56.30 56.42 1x5e h ASN 103 Cb 0.07 0.62 -0.08 0.00 0.05 0.00 0.00 38.32 38.98 1x5e h ASN 103 CO -0.17 -0.30 0.90 0.15 -1.65 0.00 0.00 177.43 176.37 1x5e h PHE 104 N -0.11 0.29 0.00 1.19 3.57 0.16 1.12 116.94 123.16 1x5e h PHE 104 Ca 0.27 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1x5e h PHE 104 Cb 0.57 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1x5e h PHE 104 CO -0.70 -0.04 -0.43 -0.89 -2.23 0.00 0.00 178.31 174.02 1x5e n ILE 105 N -4.38 1.06 0.08 1.41 2.08 0.24 -2.70 119.36 117.15 1x5e n ILE 105 Ca 0.32 0.28 -0.12 0.00 0.56 0.00 0.00 62.75 63.79 1x5e n ILE 105 Cb 1.33 -2.16 -0.05 0.00 -0.75 0.00 0.00 39.64 38.01 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 -0.74 -0.67 0.00 4.38 0.02 0.16 0.44 113.55 117.14 1x5e h SER 106 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1x5e h SER 106 Cb 0.43 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1x5e h SER 106 CO 0.00 -0.31 0.00 0.47 -1.14 0.00 0.00 176.83 175.85 1x5e n ASP 107 N -5.36 0.00 -2.93 3.07 9.92 0.38 -4.84 116.55 116.79 1x5e n ASP 107 Ca -0.06 -1.57 -0.16 0.00 -0.53 0.00 0.00 54.79 52.47 1x5e n ASP 107 Cb 0.27 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.72 1x5e n ASP 107 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1x5e n LYS 108 N -0.61 -1.67 -0.37 -1.24 5.02 0.14 -4.67 118.16 114.77 1x5e n LYS 108 Ca 0.05 0.05 0.33 0.00 -2.02 0.00 0.00 58.31 56.72 1x5e n LYS 108 Cb 0.02 -3.54 0.66 0.00 -0.02 0.00 0.00 35.03 32.15 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 -0.33 0.14 -1.24 1.97 5.08 -1.64 0.83 114.58 119.39 1x5e h GLU 109 Ca -0.23 -0.01 0.42 0.00 -1.00 0.00 0.00 59.36 58.54 1x5e h GLU 109 Cb 0.92 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.00 1x5e h GLU 109 CO 0.34 0.09 0.78 0.11 -1.00 0.00 0.00 179.01 179.34 1x5e h TRP 110 N 0.14 0.61 -0.89 4.33 5.08 -1.83 0.72 115.95 124.11 1x5e h TRP 110 Ca 0.64 0.03 0.16 0.00 1.08 0.00 0.00 58.89 60.80 1x5e h TRP 110 Cb 2.18 -0.15 -0.10 0.00 -3.00 0.00 0.00 29.16 28.09 1x5e h TRP 110 CO -0.00 -0.23 0.47 0.87 -1.28 0.00 0.00 178.44 178.27 1x5e h LYS 111 N 0.11 0.61 0.00 0.12 1.57 -1.17 0.38 116.57 118.19 1x5e h LYS 111 Ca 0.81 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.53 1x5e h LYS 111 Cb 2.41 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 34.58 1x5e h LYS 111 CO -0.48 0.40 -0.09 0.77 -0.57 0.00 0.00 179.45 179.49 1x5e h SER 112 N 0.63 0.00 -3.38 0.86 0.02 0.27 -3.42 113.55 108.53 1x5e h SER 112 Ca 0.50 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.89 1x5e h SER 112 Cb 0.74 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 1x5e h SER 112 CO -0.38 0.09 0.13 -0.63 -1.14 0.00 0.00 176.83 174.89 1x5e s ILE 113 N -4.42 4.93 -0.16 3.27 1.01 0.13 -5.02 121.20 120.94 1x5e s ILE 113 Ca -0.04 1.54 -0.29 0.00 0.00 0.00 0.00 60.65 61.86 1x5e s ILE 113 Cb 0.14 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1x5e s ILE 113 CO 0.59 0.29 1.32 -1.61 0.00 0.00 0.00 174.94 175.54 1x5e s GLU 114 N 0.50 4.20 0.34 2.79 2.02 -1.26 -4.96 118.70 122.32 1x5e s GLU 114 Ca 0.39 1.71 -0.28 0.00 0.02 0.00 0.00 54.97 56.81 1x5e s GLU 114 Cb -0.19 -3.81 -0.09 0.00 0.10 0.00 0.00 34.13 30.14 1x5e s GLU 114 CO 0.20 -0.76 1.21 -1.25 0.02 0.00 0.00 175.26 174.68 1x5e s PRO 115 N 3.64 4.32 0.93 0.39 0.04 -1.26 -4.87 135.00 138.19 1x5e s PRO 115 Ca 0.58 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 63.50 1x5e s PRO 115 Cb -0.23 -2.97 0.15 0.00 0.04 0.00 0.00 34.50 31.49 1x5e s PRO 115 CO 0.17 -0.14 1.09 0.14 0.04 0.00 0.00 177.00 178.30 1x5e s VAL 116 N -1.23 2.51 0.39 -0.36 -7.23 -0.49 -4.93 120.40 109.06 1x5e s VAL 116 Ca 0.51 0.16 0.03 0.00 -1.81 0.00 0.00 61.98 60.88 1x5e s VAL 116 Cb -0.35 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 1x5e s VAL 116 CO 0.46 -0.21 0.09 -0.94 -0.31 0.00 0.00 175.10 174.18 1x5e s SER 117 N -3.23 2.82 -1.31 4.85 1.04 -1.26 -4.55 113.70 112.07 1x5e s SER 117 Ca 0.64 -1.57 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 1x5e s SER 117 Cb -0.19 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1x5e s SER 117 CO 0.58 -0.81 0.94 -1.54 0.98 0.00 0.00 173.24 173.39 1x5e n SER 118 N -1.10 -2.94 -4.54 7.02 3.41 -1.26 -4.77 113.62 109.45 1x5e n SER 118 Ca -0.06 -0.69 -0.15 0.00 -0.26 0.00 0.00 58.87 57.71 1x5e n SER 118 Cb 0.66 -4.61 -0.11 0.00 -0.26 0.00 0.00 64.21 59.89 1x5e n SER 118 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1x5e n TRP 119 N -4.41 0.89 -2.82 7.33 -0.00 -1.26 -4.88 117.44 112.28 1x5e n TRP 119 Ca -0.19 -0.03 -0.41 0.00 -0.00 0.00 0.00 57.50 56.87 1x5e n TRP 119 Cb 0.63 -2.15 -0.04 0.00 -0.00 0.00 0.00 31.31 29.76 1x5e n TRP 119 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1x5e s PHE 120 N 11.74 3.67 -0.30 5.87 5.36 -1.26 -5.02 117.98 138.03 1x5e s PHE 120 Ca 0.98 1.59 -0.16 0.00 -0.96 0.00 0.00 56.93 58.38 1x5e s PHE 120 Cb -0.27 -3.01 0.17 0.00 -0.34 0.00 0.00 43.02 39.57 1x5e s PHE 120 CO 0.19 0.07 1.04 0.45 -1.46 0.00 0.00 175.22 175.50 1x5e s SER 121 N 0.73 -0.48 1.12 6.13 0.15 -1.26 -4.89 113.70 115.19 1x5e s SER 121 Ca 0.47 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1x5e s SER 121 Cb -0.20 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1x5e s SER 121 CO 0.25 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1x5e n GLY 122 N 4.71 2.97 3.58 9.45 0.00 -1.26 -4.62 105.19 120.01 1x5e n GLY 122 Ca -0.10 0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.61 -0.26 1.61 0.04 -1.26 -5.09 135.00 128.43 1x5e s PRO 123 Ca 0.00 -0.21 -0.06 0.00 0.04 0.00 0.00 61.00 60.77 1x5e s PRO 123 Cb 0.00 -1.56 0.13 0.00 0.04 0.00 0.00 34.50 33.11 1x5e s PRO 123 CO 0.00 -3.94 0.51 -1.54 0.04 0.00 0.00 177.00 172.07 1x5e s SER 124 N -4.01 -0.63 -1.73 6.66 1.04 -1.26 -4.93 113.70 108.84 1x5e s SER 124 Ca 0.72 0.96 -0.17 0.00 0.48 0.00 0.00 55.95 57.94 1x5e s SER 124 Cb -0.07 1.73 0.16 0.00 0.10 0.00 0.00 66.02 67.94 1x5e s SER 124 CO 0.56 -0.25 0.61 -1.54 0.98 0.00 0.00 173.24 173.60 1x5e n SER 125 N 5.41 -2.09 0.00 7.02 3.41 -1.26 -5.22 113.62 120.89 1x5e n SER 125 Ca -0.07 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1x5e n SER 125 Cb 0.50 -2.26 0.00 0.00 -0.26 0.00 0.00 64.21 62.19 1x5e n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49