#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 -0.41 -1.77 1.61 0.15 -1.26 -4.96 113.70 107.06 1x5e s SER 2 Ca 0.00 0.62 -0.17 0.00 0.70 0.00 0.00 55.95 57.10 1x5e s SER 2 Cb 0.00 1.28 0.17 0.00 -1.71 0.00 0.00 66.02 65.76 1x5e s SER 2 CO 0.00 -0.09 0.52 -0.24 1.20 0.00 0.00 173.24 174.62 1x5e n SER 3 N 3.98 -1.54 -5.03 5.45 2.88 -1.26 -4.91 113.62 113.19 1x5e n SER 3 Ca -0.15 -1.20 -0.19 0.00 -1.33 0.00 0.00 58.87 56.00 1x5e n SER 3 Cb 0.56 -1.90 0.06 0.00 -0.75 0.00 0.00 64.21 62.18 1x5e n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5e s GLY 4 N -3.52 1.74 -1.77 0.46 0.00 -1.26 -4.53 107.32 98.45 1x5e s GLY 4 Ca 0.63 -2.12 -0.17 0.00 0.00 0.00 0.00 44.72 43.06 1x5e s GLY 4 CO 1.00 -1.68 0.49 1.44 0.00 0.00 0.00 173.10 174.34 1x5e n SER 5 N -2.22 -1.36 -3.51 1.64 7.64 -1.26 -4.89 113.62 109.66 1x5e n SER 5 Ca 0.15 -1.21 -0.12 0.00 1.01 0.00 0.00 58.87 58.70 1x5e n SER 5 Cb 0.61 -1.83 -0.04 0.00 -1.01 0.00 0.00 64.21 61.95 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 -3.56 -0.46 -0.75 6.43 0.01 -1.26 -5.09 113.70 109.03 1x5e s SER 6 Ca 0.60 -0.00 -0.27 0.00 1.31 0.00 0.00 55.95 57.59 1x5e s SER 6 Cb -0.35 0.54 -0.15 0.00 0.21 0.00 0.00 66.02 66.27 1x5e s SER 6 CO 1.00 -0.87 2.51 0.61 0.41 0.00 0.00 173.24 176.91 1x5e n GLY 7 N -0.11 -0.15 0.51 3.44 0.00 -1.26 -4.74 105.19 102.88 1x5e n GLY 7 Ca -0.17 0.78 0.41 0.00 0.00 0.00 0.00 46.02 47.04 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 15.60 0.18 -3.48 1.61 2.35 -1.92 -3.38 115.58 126.55 1x5e h ASN 8 Ca -0.13 0.12 -0.52 0.00 -0.55 0.00 0.00 56.30 55.22 1x5e h ASN 8 Cb 1.26 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.75 1x5e h ASN 8 CO 1.27 -0.19 0.48 -0.69 -1.65 0.00 0.00 177.43 176.65 1x5e s VAL 9 N -5.21 3.98 0.05 2.81 1.01 -1.26 -4.63 120.40 117.15 1x5e s VAL 9 Ca -0.07 1.62 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 1x5e s VAL 9 Cb 0.30 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1x5e s VAL 9 CO 0.83 0.24 0.25 -0.13 0.00 0.00 0.00 175.10 176.29 1x5e s ARG 10 N 0.03 3.50 -0.56 2.72 1.81 0.66 -4.92 118.95 122.18 1x5e s ARG 10 Ca 0.51 -0.29 -0.09 0.00 -1.72 0.00 0.00 55.73 54.14 1x5e s ARG 10 Cb -0.29 -3.02 0.14 0.00 -0.45 0.00 0.00 34.95 31.34 1x5e s ARG 10 CO 0.33 0.60 0.44 0.08 -0.68 0.00 0.00 175.30 176.07 1x5e s VAL 11 N -1.47 4.42 0.18 3.52 1.01 -1.26 -0.00 120.40 126.80 1x5e s VAL 11 Ca 0.33 -2.10 -0.30 0.00 0.00 0.00 0.00 61.98 59.92 1x5e s VAL 11 Cb -0.13 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1x5e s VAL 11 CO 0.24 -0.84 0.95 -0.63 0.00 0.00 0.00 175.10 174.81 1x5e s ILE 12 N 0.92 4.25 0.22 2.22 -1.09 -1.24 -5.00 121.20 121.48 1x5e s ILE 12 Ca 0.10 2.08 0.01 0.00 -2.23 0.00 0.00 60.65 60.61 1x5e s ILE 12 Cb -0.23 -4.33 0.01 0.00 -1.58 0.00 0.00 42.46 36.34 1x5e s ILE 12 CO -0.02 0.42 0.11 0.35 -1.23 0.00 0.00 174.94 174.57 1x5e n THR 13 N 2.04 0.00 0.79 2.92 -2.24 -1.26 -4.83 114.28 111.70 1x5e n THR 13 Ca -0.00 -0.92 0.07 0.00 -2.27 0.00 0.00 64.05 60.93 1x5e n THR 13 Cb 0.48 -0.14 0.39 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.66 0.00 -0.05 3.42 5.68 -1.26 -2.16 116.55 120.52 1x5e n ASP 14 Ca -0.04 -0.28 -0.08 0.00 -0.50 0.00 0.00 54.79 53.89 1x5e n ASP 14 Cb 0.26 -0.08 -0.04 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 -1.08 0.23 0.27 0.11 2.13 -1.26 -4.60 120.64 116.44 1x5e n GLU 15 Ca 0.09 0.07 0.14 0.00 0.66 0.00 0.00 57.16 58.12 1x5e n GLU 15 Cb 0.06 -1.06 0.75 0.00 0.27 0.00 0.00 31.44 31.47 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1x5e h ASN 16 N -0.15 0.00 -0.86 4.31 2.35 -1.90 -3.11 115.58 116.22 1x5e h ASN 16 Ca -0.23 0.00 0.28 0.00 -0.55 0.00 0.00 56.30 55.79 1x5e h ASN 16 Cb 1.29 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.50 1x5e h ASN 16 CO -0.08 0.10 0.16 -2.67 -1.65 0.00 0.00 177.43 173.29 1x5e n TRP 17 N -3.59 0.69 -0.22 1.19 4.27 -0.92 0.17 117.44 119.03 1x5e n TRP 17 Ca -0.02 1.03 0.02 0.00 -3.89 0.00 0.00 57.50 54.64 1x5e n TRP 17 Cb 0.23 -1.24 0.13 0.00 -1.36 0.00 0.00 31.31 29.07 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 0.39 -1.36 -2.67 3.08 -1.87 0.20 114.38 112.17 1x5e h ARG 18 Ca 0.59 -0.02 0.40 0.00 0.07 0.00 0.00 59.98 61.01 1x5e h ARG 18 Cb 1.35 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.23 1x5e h ARG 18 CO -0.77 0.26 0.95 0.93 -1.07 0.00 0.00 179.97 180.27 1x5e h GLU 19 N 0.40 0.08 -0.83 0.04 4.39 0.14 0.62 114.58 119.42 1x5e h GLU 19 Ca 0.34 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1x5e h GLU 19 Cb 0.47 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1x5e h GLU 19 CO -0.35 0.05 0.52 -0.07 -1.16 0.00 0.00 179.01 177.99 1x5e h LEU 20 N 0.08 0.99 -1.94 1.33 3.38 -0.99 -1.96 115.31 116.20 1x5e h LEU 20 Ca 0.70 -0.06 0.33 0.00 0.09 0.00 0.00 57.88 58.94 1x5e h LEU 20 Cb 2.52 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 42.97 1x5e h LEU 20 CO -0.13 0.75 0.82 -0.07 0.09 0.00 0.00 178.44 179.91 1x5e h LEU 21 N 1.14 0.04 -9.64 1.67 3.38 0.16 -3.38 115.31 108.68 1x5e h LEU 21 Ca 0.30 0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.62 1x5e h LEU 21 Cb -0.07 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 1x5e h LEU 21 CO -0.06 0.01 -0.52 -1.83 0.09 0.00 0.00 178.44 176.13 1x5e s GLU 22 N -5.00 3.32 1.35 1.13 -1.05 -0.74 0.77 118.70 118.48 1x5e s GLU 22 Ca -0.05 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 1x5e s GLU 22 Cb 0.23 -3.06 0.00 0.00 -0.44 0.00 0.00 34.13 30.87 1x5e s GLU 22 CO 0.80 0.71 0.00 0.41 0.95 0.00 0.00 175.26 178.14 1x5e n GLY 23 N 1.50 -0.92 3.86 -3.83 0.00 -1.26 -4.75 105.19 99.79 1x5e n GLY 23 Ca -0.16 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 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 -4.44 6.74 -0.16 1.61 1.11 -1.26 -3.02 116.67 117.26 1x5e s ASP 24 Ca 0.00 0.97 -0.06 0.00 0.18 0.00 0.00 52.55 53.64 1x5e s ASP 24 Cb 0.00 -2.25 0.07 0.00 1.07 0.00 0.00 42.92 41.82 1x5e s ASP 24 CO 0.00 0.09 0.33 0.26 1.18 0.00 0.00 175.17 177.03 1x5e s TRP 25 N -1.52 -0.56 -0.42 4.23 0.52 -0.71 -3.78 118.94 116.70 1x5e s TRP 25 Ca 0.38 1.18 -0.16 0.00 0.02 0.00 0.00 56.10 57.52 1x5e s TRP 25 Cb -0.14 0.12 0.02 0.00 -1.15 0.00 0.00 33.47 32.32 1x5e s TRP 25 CO 0.19 -0.39 0.38 -1.64 0.02 0.00 0.00 176.95 175.52 1x5e s MET 26 N 2.28 3.04 0.12 4.98 -1.94 0.67 -2.10 119.30 126.35 1x5e s MET 26 Ca -0.02 -0.89 0.07 0.00 -1.71 0.00 0.00 55.69 53.14 1x5e s MET 26 Cb -0.11 -3.98 -0.04 0.00 2.01 0.00 0.00 34.83 32.71 1x5e s MET 26 CO -0.10 -0.82 -0.07 0.42 -0.01 0.00 0.00 175.02 174.44 1x5e s ILE 27 N 1.94 3.51 -0.25 2.53 1.01 -1.00 -0.48 121.20 128.46 1x5e s ILE 27 Ca 0.09 -1.31 -0.03 0.00 0.00 0.00 0.00 60.65 59.41 1x5e s ILE 27 Cb -0.18 -2.68 0.11 0.00 0.01 0.00 0.00 42.46 39.72 1x5e s ILE 27 CO 0.12 0.04 0.26 -1.83 0.00 0.00 0.00 174.94 173.53 1x5e s GLU 28 N -2.44 0.25 -0.20 2.79 4.04 -1.23 -1.24 118.70 120.67 1x5e s GLU 28 Ca 0.24 0.05 -0.29 0.00 0.04 0.00 0.00 54.97 55.01 1x5e s GLU 28 Cb -0.11 -0.93 -0.03 0.00 0.02 0.00 0.00 34.13 33.08 1x5e s GLU 28 CO 0.16 -0.82 1.54 -0.06 -1.84 0.00 0.00 175.26 174.23 1x5e s PHE 29 N 2.34 2.25 0.42 4.83 0.40 0.99 -3.69 117.98 125.52 1x5e s PHE 29 Ca 0.08 0.59 0.04 0.00 -0.60 0.00 0.00 56.93 57.05 1x5e s PHE 29 Cb -0.15 -3.91 -0.05 0.00 0.51 0.00 0.00 43.02 39.42 1x5e s PHE 29 CO -0.22 -2.77 0.03 1.52 0.70 0.00 0.00 175.22 174.49 1x5e s TYR 30 N 4.73 2.14 -0.07 0.36 -0.85 -1.19 -2.01 117.35 120.47 1x5e s TYR 30 Ca 0.68 -0.88 -0.06 0.00 -0.52 0.00 0.00 57.07 56.29 1x5e s TYR 30 Cb -0.25 -1.55 0.02 0.00 0.38 0.00 0.00 41.96 40.56 1x5e s TYR 30 CO 0.27 0.21 0.19 0.00 -1.52 0.00 0.00 175.55 174.69 1x5e s ALA 31 N -2.95 -0.46 -0.38 9.51 0.00 -1.26 -3.37 121.76 122.85 1x5e s ALA 31 Ca 0.27 0.57 0.25 0.00 0.00 0.00 0.00 51.96 53.05 1x5e s ALA 31 Cb 0.07 -0.34 1.05 0.00 0.00 0.00 0.00 23.12 23.90 1x5e s ALA 31 CO 0.13 -0.10 1.75 -1.00 0.00 0.00 0.00 175.76 176.55 1x5e h PRO 32 N 6.03 0.00 -0.48 0.00 0.13 -1.99 -2.58 132.00 133.11 1x5e h PRO 32 Ca -0.27 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.74 1x5e h PRO 32 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1x5e h PRO 32 CO 0.39 0.00 0.09 -2.67 -0.23 0.00 0.00 178.00 175.58 1x5e n TRP 33 N -2.37 1.62 -4.92 1.56 4.27 -1.26 -4.93 117.44 111.41 1x5e n TRP 33 Ca 0.02 -1.12 -0.30 0.00 -3.89 0.00 0.00 57.50 52.21 1x5e n TRP 33 Cb 0.24 -0.50 -0.17 0.00 -1.36 0.00 0.00 31.31 29.52 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 6.92 0.84 -0.91 0.00 0.13 -1.92 -3.13 132.00 133.94 1x5e h PRO 35 Ca -0.25 -0.45 0.10 0.00 -0.87 0.00 0.00 66.00 64.54 1x5e h PRO 35 Cb 1.21 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1x5e h PRO 35 CO 0.48 1.09 0.58 0.00 -0.23 0.00 0.00 178.00 179.92 1x5e h ALA 36 N 0.74 1.64 -0.13 -0.56 0.00 -1.95 -2.12 119.26 116.88 1x5e h ALA 36 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1x5e h ALA 36 Cb 0.93 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1x5e h ALA 36 CO 0.09 0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.54 1x5e h GLN 38 N 0.03 0.00 0.14 0.00 4.20 -1.35 0.44 115.11 118.57 1x5e h GLN 38 Ca 0.04 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.42 1x5e h GLN 38 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1x5e h GLN 38 CO -0.00 0.00 -1.69 -0.97 -0.67 0.00 0.00 178.83 175.50 1x5e h ASN 39 N 0.00 0.46 1.08 1.46 -1.24 -1.33 -3.35 115.58 112.67 1x5e h ASN 39 Ca 0.01 -0.71 -0.15 0.00 0.71 0.00 0.00 56.30 56.16 1x5e h ASN 39 Cb 0.92 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 1x5e h ASN 39 CO -0.00 1.61 -0.72 0.25 -1.29 0.00 0.00 177.43 177.28 1x5e h LEU 40 N 0.08 0.00 -0.73 0.34 5.85 -0.10 -3.34 115.31 117.41 1x5e h LEU 40 Ca -0.31 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.50 1x5e h LEU 40 Cb 2.05 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.98 1x5e h LEU 40 CO 0.16 0.72 -0.37 0.00 -0.34 0.00 0.00 178.44 178.60 1x5e n GLN 41 N -3.40 -0.26 -0.06 1.25 1.13 0.60 0.04 117.38 116.68 1x5e n GLN 41 Ca 0.00 1.12 -0.13 0.00 -1.94 0.00 0.00 57.00 56.05 1x5e n GLN 41 Cb 0.78 -1.65 -0.07 0.00 0.11 0.00 0.00 30.24 29.42 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 0.41 -0.91 -1.09 0.13 -1.80 -2.92 132.00 125.83 1x5e h PRO 42 Ca 0.17 -0.22 0.19 0.00 -0.87 0.00 0.00 66.00 65.28 1x5e h PRO 42 Cb 0.36 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.42 1x5e h PRO 42 CO -0.71 0.78 0.60 0.93 -0.23 0.00 0.00 178.00 179.37 1x5e h GLU 43 N 0.06 0.48 0.12 0.86 3.07 -0.79 -1.33 114.58 117.06 1x5e h GLU 43 Ca 0.03 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1x5e h GLU 43 Cb 0.70 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1x5e h GLU 43 CO 0.04 0.32 -0.06 2.35 -1.40 0.00 0.00 179.01 180.26 1x5e h TRP 44 N 0.50 -0.15 -0.60 4.33 -0.00 -0.34 -2.66 115.95 117.03 1x5e h TRP 44 Ca 0.48 -0.00 0.12 0.00 -0.00 0.00 0.00 58.89 59.49 1x5e h TRP 44 Cb 1.07 0.05 -0.10 0.00 -0.00 0.00 0.00 29.16 30.18 1x5e h TRP 44 CO -0.00 0.30 0.04 0.93 -0.00 0.00 0.00 178.44 179.72 1x5e h GLU 45 N -0.70 0.16 0.00 2.65 5.08 -1.14 0.39 114.58 121.02 1x5e h GLU 45 Ca -0.02 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1x5e h GLU 45 Cb 0.52 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1x5e h GLU 45 CO 0.03 0.10 -0.13 0.77 -1.00 0.00 0.00 179.01 178.78 1x5e h SER 46 N 0.16 0.00 0.12 1.42 0.02 -1.33 -3.02 113.55 110.93 1x5e h SER 46 Ca 0.32 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1x5e h SER 46 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1x5e h SER 46 CO -0.48 0.13 -0.06 0.15 -1.14 0.00 0.00 176.83 175.43 1x5e h PHE 47 N 0.00 -0.15 -0.31 3.45 3.57 0.03 -3.25 116.94 120.27 1x5e h PHE 47 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1x5e h PHE 47 Cb 0.31 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1x5e h PHE 47 CO 0.00 0.10 0.73 0.00 -2.23 0.00 0.00 178.31 176.91 1x5e h ALA 48 N -0.77 2.04 0.34 2.41 0.00 -0.80 -1.16 119.26 121.31 1x5e h ALA 48 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x5e h ALA 48 Cb 0.33 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1x5e h ALA 48 CO 0.03 -0.89 -0.52 0.93 0.00 0.00 0.00 179.25 178.80 1x5e h GLU 49 N 0.00 -0.87 -0.01 0.00 5.08 -1.56 -2.37 114.58 114.84 1x5e h GLU 49 Ca 0.15 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1x5e h GLU 49 Cb 1.61 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1x5e h GLU 49 CO -0.00 -0.58 -0.05 -2.67 -1.00 0.00 0.00 179.01 174.71 1x5e n TRP 50 N -5.50 0.00 0.00 4.33 4.27 -0.52 -4.47 117.44 115.55 1x5e n TRP 50 Ca -0.11 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.50 1x5e n TRP 50 Cb 0.44 -0.03 0.00 0.00 -1.36 0.00 0.00 31.31 30.37 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 1.20 -2.85 0.37 -1.67 0.00 -0.73 -1.55 105.19 99.95 1x5e n GLY 51 Ca 0.18 0.31 0.19 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 0.00 -0.50 1.61 -0.00 -1.61 0.60 114.58 114.68 1x5e h GLU 52 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 1x5e h GLU 52 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.73 1x5e h GLU 52 CO 0.00 0.00 0.24 -0.44 -0.00 0.00 0.00 179.01 178.81 1x5e h ASP 53 N 0.00 0.62 -0.43 3.06 5.19 -1.52 -0.86 116.42 122.49 1x5e h ASP 53 Ca 0.19 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1x5e h ASP 53 Cb 0.87 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1x5e h ASP 53 CO -0.00 0.53 0.00 0.18 -3.12 0.00 0.00 179.24 176.82 1x5e n LEU 54 N -4.39 2.82 -2.49 1.55 4.77 0.18 -4.92 117.00 114.54 1x5e n LEU 54 Ca 0.04 -1.42 -0.09 0.00 -0.03 0.00 0.00 56.01 54.51 1x5e n LEU 54 Cb 0.12 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 40.87 1x5e n LEU 54 CO 0.37 0.57 0.04 1.21 -1.33 0.00 0.00 177.39 178.25 1x5e n GLU 55 N 0.70 -2.63 -3.72 3.23 4.07 -0.33 -4.90 120.64 117.07 1x5e n GLU 55 Ca 0.16 0.51 -0.12 0.00 -0.06 0.00 0.00 57.16 57.65 1x5e n GLU 55 Cb 0.50 -4.28 -0.12 0.00 -0.06 0.00 0.00 31.44 27.48 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 -3.22 -0.03 -0.08 6.31 0.11 -1.10 -4.90 120.40 117.49 1x5e s VAL 56 Ca 0.14 0.10 -0.17 0.00 -2.93 0.00 0.00 61.98 59.11 1x5e s VAL 56 Cb -0.02 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1x5e s VAL 56 CO 0.44 0.04 0.45 0.20 -3.33 0.00 0.00 175.10 172.90 1x5e s ASN 57 N 1.06 6.72 -0.04 3.54 0.01 -1.25 -2.52 114.94 122.46 1x5e s ASN 57 Ca -0.07 0.85 0.03 0.00 -0.71 0.00 0.00 52.86 52.95 1x5e s ASN 57 Cb -0.08 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 1x5e s ASN 57 CO -0.08 0.10 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.88 1x5e s ILE 58 N 0.12 3.40 0.14 0.60 1.09 -1.26 -0.24 121.20 125.05 1x5e s ILE 58 Ca 0.25 -0.66 -0.08 0.00 -1.10 0.00 0.00 60.65 59.05 1x5e s ILE 58 Cb -0.16 -2.39 -0.01 0.00 -1.06 0.00 0.00 42.46 38.85 1x5e s ILE 58 CO 0.11 0.54 0.23 0.00 -0.10 0.00 0.00 174.94 175.72 1x5e s ALA 59 N -0.82 0.03 0.04 9.38 0.00 0.37 -0.25 121.76 130.51 1x5e s ALA 59 Ca 0.13 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.26 1x5e s ALA 59 Cb -0.11 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1x5e s ALA 59 CO 0.02 -0.59 -0.14 -1.59 0.00 0.00 0.00 175.76 173.47 1x5e s LYS 60 N -3.95 0.92 0.06 0.00 -2.85 1.00 -3.50 119.74 111.42 1x5e s LYS 60 Ca 0.14 -0.74 0.08 0.00 -1.00 0.00 0.00 55.97 54.46 1x5e s LYS 60 Cb 0.04 -0.91 -0.03 0.00 -2.06 0.00 0.00 37.83 34.87 1x5e s LYS 60 CO -0.03 0.23 -0.23 0.08 0.10 0.00 0.00 175.35 175.49 1x5e s VAL 61 N -0.84 1.90 -0.21 1.79 1.01 -1.24 -3.70 120.40 119.12 1x5e s VAL 61 Ca 0.01 -1.36 -0.06 0.00 0.00 0.00 0.00 61.98 60.57 1x5e s VAL 61 Cb -0.08 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1x5e s VAL 61 CO 0.01 0.22 0.02 1.51 0.00 0.00 0.00 175.10 176.86 1x5e s ASP 62 N -1.37 4.99 -0.11 3.32 1.47 -1.26 -3.14 116.67 120.58 1x5e s ASP 62 Ca 0.10 -0.16 0.02 0.00 1.18 0.00 0.00 52.55 53.69 1x5e s ASP 62 Cb -0.09 -1.86 0.22 0.00 -0.34 0.00 0.00 42.92 40.85 1x5e s ASP 62 CO 0.03 0.06 1.12 1.33 0.68 0.00 0.00 175.17 178.39 1x5e n VAL 63 N 4.25 1.34 0.00 2.11 0.24 -1.22 -2.36 118.33 122.70 1x5e n VAL 63 Ca -0.17 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 1x5e n VAL 63 Cb 0.52 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 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 0.08 0.00 -0.07 3.34 -2.24 -1.26 -4.82 114.28 109.31 1x5e n THR 64 Ca 0.14 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.88 1x5e n THR 64 Cb 0.73 -0.59 -0.14 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 -1.39 1.07 -3.65 -0.78 -0.58 -1.23 -4.75 120.64 109.34 1x5e n GLU 65 Ca 0.00 -0.05 -0.37 0.00 -0.42 0.00 0.00 57.16 56.33 1x5e n GLU 65 Cb 0.29 -1.44 -0.07 0.00 -0.57 0.00 0.00 31.44 29.66 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 -2.62 3.13 0.00 3.49 -1.52 -0.99 -4.89 119.66 116.26 1x5e s GLN 66 Ca -0.08 -3.09 0.16 0.00 -1.95 0.00 0.00 55.36 50.40 1x5e s GLN 66 Cb 0.07 -3.92 0.90 0.00 -0.22 0.00 0.00 33.01 29.83 1x5e s GLN 66 CO 0.71 -1.25 1.36 -0.35 -0.25 0.00 0.00 175.29 175.52 1x5e n PRO 67 N 2.64 0.43 -0.12 2.91 -0.04 -1.26 -2.98 135.00 136.59 1x5e n PRO 67 Ca 0.18 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 1x5e n PRO 67 Cb 0.37 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1x5e n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5e n GLY 68 N -0.02 -0.56 0.27 0.55 0.00 -1.26 -4.28 105.19 99.89 1x5e n GLY 68 Ca 0.11 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1x5e n GLY 68 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x5e h LEU 69 N -1.00 0.00 0.52 0.99 3.38 -1.94 0.22 115.31 117.47 1x5e h LEU 69 Ca -0.39 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1x5e h LEU 69 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1x5e h LEU 69 CO -0.24 0.01 -0.27 -1.28 0.09 0.00 0.00 178.44 176.75 1x5e h SER 70 N 0.00 -0.65 0.26 -0.43 0.87 -1.75 -2.68 113.55 109.17 1x5e h SER 70 Ca -0.00 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 1x5e h SER 70 Cb 0.02 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1x5e h SER 70 CO 0.00 -0.44 -0.45 1.23 -0.53 0.00 0.00 176.83 176.64 1x5e h GLY 71 N -0.72 0.26 0.00 5.77 0.00 -1.71 -2.60 103.07 104.07 1x5e h GLY 71 Ca -0.07 -0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.08 1x5e h GLY 71 CO 0.10 0.24 -0.23 3.21 0.00 0.00 0.00 176.54 179.86 1x5e h ARG 72 N 0.20 -0.17 -1.37 4.80 3.08 -0.93 0.11 114.38 120.10 1x5e h ARG 72 Ca 0.01 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1x5e h ARG 72 Cb 0.87 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.90 1x5e h ARG 72 CO 0.07 -0.11 0.15 1.19 -1.07 0.00 0.00 179.97 180.19 1x5e n PHE 73 N -5.39 0.61 -3.65 3.04 3.01 -1.02 -4.70 117.46 109.36 1x5e n PHE 73 Ca 0.01 -1.06 -0.20 0.00 1.01 0.00 0.00 57.45 57.22 1x5e n PHE 73 Cb 0.30 -0.52 -0.06 0.00 -0.01 0.00 0.00 39.48 39.18 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 0.57 -0.63 -2.23 4.37 -0.00 0.40 -4.75 119.36 117.10 1x5e n ILE 74 Ca 0.12 -0.31 -0.42 0.00 -0.00 0.00 0.00 62.75 62.13 1x5e n ILE 74 Cb 0.64 -0.63 -0.02 0.00 -0.00 0.00 0.00 39.64 39.62 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 -3.87 3.71 -0.24 7.28 -1.09 -0.98 -4.84 121.20 121.16 1x5e s ILE 75 Ca 0.01 0.68 -0.13 0.00 -2.23 0.00 0.00 60.65 58.98 1x5e s ILE 75 Cb -0.00 -4.06 -0.16 0.00 -1.58 0.00 0.00 42.46 36.65 1x5e s ILE 75 CO 0.63 -0.75 -0.11 0.59 -1.23 0.00 0.00 174.94 174.07 1x5e n ASN 76 N 9.76 1.95 -4.48 3.58 3.02 -1.26 -4.84 115.26 122.99 1x5e n ASN 76 Ca 0.18 0.27 -0.23 0.00 -0.03 0.00 0.00 54.58 54.77 1x5e n ASN 76 Cb 0.48 -0.80 -0.11 0.00 -0.61 0.00 0.00 39.78 38.75 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5e s ALA 77 N -2.48 2.59 0.02 5.41 0.00 -1.26 -5.16 121.76 120.87 1x5e s ALA 77 Ca -0.34 -2.04 -0.07 0.00 0.00 0.00 0.00 51.96 49.51 1x5e s ALA 77 Cb 0.11 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.49 1x5e s ALA 77 CO 0.56 -0.11 0.13 -0.51 0.00 0.00 0.00 175.76 175.83 1x5e s LEU 78 N -3.53 1.60 1.03 0.00 1.43 -1.26 -4.29 118.68 113.65 1x5e s LEU 78 Ca 0.33 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 1x5e s LEU 78 Cb 0.06 0.69 0.20 0.00 0.03 0.00 0.00 46.19 47.17 1x5e s LEU 78 CO 0.15 -0.43 1.09 -2.16 0.23 0.00 0.00 176.35 175.23 1x5e s PRO 79 N -1.82 0.20 -0.24 1.29 0.04 -1.26 -4.95 135.00 128.26 1x5e s PRO 79 Ca -0.11 0.45 -0.08 0.00 0.04 0.00 0.00 61.00 61.29 1x5e s PRO 79 Cb -0.05 -1.72 0.11 0.00 0.04 0.00 0.00 34.50 32.88 1x5e s PRO 79 CO -0.01 -2.87 0.51 0.99 0.04 0.00 0.00 177.00 175.67 1x5e s THR 80 N -2.97 -0.79 -0.01 1.26 2.01 -0.85 -4.98 115.64 109.32 1x5e s THR 80 Ca 0.66 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 1x5e s THR 80 Cb -0.18 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1x5e s THR 80 CO 0.58 0.04 0.21 -0.63 -0.69 0.00 0.00 174.62 174.13 1x5e s ILE 81 N 2.73 5.40 -0.03 1.82 1.01 -1.26 -0.01 121.20 130.86 1x5e s ILE 81 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 1x5e s ILE 81 Cb -0.12 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1x5e s ILE 81 CO -0.15 0.35 0.03 -0.31 0.00 0.00 0.00 174.94 174.86 1x5e s TYR 82 N -1.31 0.13 -0.27 3.97 2.02 -0.37 -3.34 117.35 118.18 1x5e s TYR 82 Ca 0.27 0.13 -0.12 0.00 -0.37 0.00 0.00 57.07 56.97 1x5e s TYR 82 Cb -0.13 -0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 41.01 1x5e s TYR 82 CO 0.17 -0.14 0.25 -1.58 -1.57 0.00 0.00 175.55 172.68 1x5e s HIS 83 N 1.45 3.24 -0.25 2.71 5.65 -0.49 -2.38 115.29 125.22 1x5e s HIS 83 Ca -0.04 0.24 -0.07 0.00 0.25 0.00 0.00 55.06 55.43 1x5e s HIS 83 Cb -0.13 -2.44 -0.03 0.00 -1.18 0.00 0.00 32.58 28.81 1x5e s HIS 83 CO -0.03 -0.15 0.07 0.00 -0.65 0.00 0.00 174.74 173.98 1x5e s LYS 85 N 1.53 1.31 -1.51 0.00 2.20 -0.83 -1.73 119.74 120.70 1x5e s LYS 85 Ca 0.06 -0.90 -0.10 0.00 -0.36 0.00 0.00 55.97 54.67 1x5e s LYS 85 Cb -0.15 -2.45 0.07 0.00 -1.51 0.00 0.00 37.83 33.79 1x5e s LYS 85 CO 0.04 -0.66 0.79 -3.47 -0.36 0.00 0.00 175.35 171.69 1x5e n ASP 86 N 4.76 -3.06 0.00 1.43 -0.08 -1.17 -1.12 116.55 117.31 1x5e n ASP 86 Ca -0.10 -0.88 0.00 0.00 -1.51 0.00 0.00 54.79 52.30 1x5e n ASP 86 Cb 0.44 -3.50 0.00 0.00 2.34 0.00 0.00 41.12 40.40 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x5e n GLY 87 N -1.66 2.64 3.34 0.27 0.00 0.23 -4.90 105.19 105.11 1x5e n GLY 87 Ca -0.07 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.38 -3.84 1.61 -0.58 -0.28 -4.89 120.64 110.28 1x5e n GLU 88 Ca 0.00 -0.68 -0.12 0.00 -0.42 0.00 0.00 57.16 55.94 1x5e n GLU 88 Cb 0.00 -1.92 -0.09 0.00 -0.57 0.00 0.00 31.44 28.86 1x5e n GLU 88 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1x5e s PHE 89 N -2.29 -0.03 -0.19 -0.32 0.08 -0.98 -1.96 117.98 112.30 1x5e s PHE 89 Ca 0.62 -0.01 -0.09 0.00 0.12 0.00 0.00 56.93 57.57 1x5e s PHE 89 Cb -0.18 -0.00 0.07 0.00 -0.57 0.00 0.00 43.02 42.34 1x5e s PHE 89 CO 0.64 -0.32 0.43 1.03 -0.10 0.00 0.00 175.22 176.91 1x5e s ARG 90 N -1.36 0.39 0.16 0.44 0.52 -0.32 -0.14 118.95 118.64 1x5e s ARG 90 Ca -0.14 0.92 -0.30 0.00 -0.52 0.00 0.00 55.73 55.69 1x5e s ARG 90 Cb -0.07 0.14 -0.08 0.00 0.52 0.00 0.00 34.95 35.46 1x5e s ARG 90 CO 0.02 -0.20 1.23 0.50 0.02 0.00 0.00 175.30 176.88 1x5e s ARG 91 N 1.91 4.45 0.00 3.54 3.52 -1.26 -1.40 118.95 129.71 1x5e s ARG 91 Ca -0.06 1.90 0.00 0.00 -0.13 0.00 0.00 55.73 57.44 1x5e s ARG 91 Cb -0.10 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1x5e s ARG 91 CO -0.13 -0.17 0.99 0.98 -0.81 0.00 0.00 175.30 176.16 1x5e n TYR 92 N 2.84 0.00 -3.26 5.12 9.36 -1.21 -4.91 117.16 125.10 1x5e n TYR 92 Ca 0.06 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.13 1x5e n TYR 92 Cb 0.44 -0.49 0.08 0.00 -0.63 0.00 0.00 39.34 38.74 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 -2.35 -5.85 -2.69 2.98 6.02 -1.26 -5.02 117.38 109.20 1x5e n GLN 93 Ca 0.00 0.74 -0.07 0.00 -0.01 0.00 0.00 57.00 57.67 1x5e n GLN 93 Cb 0.00 -5.46 -0.02 0.00 1.02 0.00 0.00 30.24 25.78 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 -1.14 3.76 0.08 1.08 0.00 -1.26 -5.03 105.19 102.69 1x5e n GLY 94 Ca -0.25 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.23 0.12 -3.48 1.61 -0.04 -1.26 -4.90 135.00 126.83 1x5e n PRO 95 Ca 0.01 0.36 -0.18 0.00 -0.04 0.00 0.00 63.50 63.65 1x5e n PRO 95 Cb 0.18 -1.74 0.08 0.00 -0.04 0.00 0.00 33.50 31.99 1x5e n PRO 95 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x5e n ARG 96 N -1.97 -6.56 -4.77 0.54 0.63 -1.26 -5.01 116.66 98.27 1x5e n ARG 96 Ca 0.03 0.82 -0.31 0.00 -0.92 0.00 0.00 57.85 57.47 1x5e n ARG 96 Cb 0.20 -5.79 -0.13 0.00 0.45 0.00 0.00 32.46 27.19 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 -3.39 2.62 0.02 5.15 -4.23 -1.26 -5.00 115.64 109.55 1x5e s THR 97 Ca 0.06 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.33 1x5e s THR 97 Cb -0.03 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.73 1x5e s THR 97 CO 0.74 0.38 1.06 1.17 -0.54 0.00 0.00 174.62 177.43 1x5e n LYS 98 N 1.70 -0.05 -0.28 3.99 4.81 -1.26 -0.63 118.16 126.44 1x5e n LYS 98 Ca -0.16 1.06 -0.07 0.00 -0.87 0.00 0.00 58.31 58.27 1x5e n LYS 98 Cb 0.52 -1.58 -0.02 0.00 0.02 0.00 0.00 35.03 33.97 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 -0.13 -0.25 1.64 3.11 -1.97 -1.28 116.57 117.69 1x5e h LYS 99 Ca 0.02 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.91 1x5e h LYS 99 Cb 0.05 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 31.24 1x5e h LYS 99 CO -0.12 -0.09 -0.54 0.22 -2.81 0.00 0.00 179.45 176.12 1x5e h ASP 100 N -0.14 -1.76 -0.84 4.20 1.82 -1.57 -2.32 116.42 115.83 1x5e h ASP 100 Ca 0.22 0.22 0.08 0.00 -0.39 0.00 0.00 57.03 57.16 1x5e h ASP 100 Cb 0.55 0.70 -0.10 0.00 0.68 0.00 0.00 39.33 41.16 1x5e h ASP 100 CO -0.80 -0.44 -0.49 0.49 -1.61 0.00 0.00 179.24 176.39 1x5e n PHE 101 N -5.34 -0.37 -0.21 0.28 3.72 0.20 -0.93 117.46 114.80 1x5e n PHE 101 Ca -0.05 1.05 -0.06 0.00 -0.05 0.00 0.00 57.45 58.34 1x5e n PHE 101 Cb 0.35 -0.56 -0.05 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 -5.00 -0.35 -0.08 4.37 -0.00 -0.87 0.67 119.36 118.11 1x5e n ILE 102 Ca 0.02 1.46 -0.07 0.00 -0.00 0.00 0.00 62.75 64.16 1x5e n ILE 102 Cb 0.22 -1.83 -0.00 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 -0.60 -0.31 4.38 2.35 -1.05 0.40 115.58 120.74 1x5e h ASN 103 Ca 0.08 0.13 0.09 0.00 -0.55 0.00 0.00 56.30 56.05 1x5e h ASN 103 Cb 0.21 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1x5e h ASN 103 CO -0.48 -0.22 0.61 0.15 -1.65 0.00 0.00 177.43 175.84 1x5e h PHE 104 N -0.15 0.00 0.00 1.19 3.57 0.68 0.83 116.94 123.06 1x5e h PHE 104 Ca 0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1x5e h PHE 104 Cb 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1x5e h PHE 104 CO -0.38 0.00 -0.56 -0.89 -2.23 0.00 0.00 178.31 174.25 1x5e n ILE 105 N -3.18 0.92 0.23 1.41 2.08 0.75 -3.26 119.36 118.31 1x5e n ILE 105 Ca 0.06 0.29 -0.15 0.00 0.56 0.00 0.00 62.75 63.50 1x5e n ILE 105 Cb 0.73 -2.03 -0.08 0.00 -0.75 0.00 0.00 39.64 37.51 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 -0.62 -0.48 1.01 4.38 0.87 -0.12 -2.75 113.55 115.84 1x5e h SER 106 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1x5e h SER 106 Cb 0.56 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1x5e h SER 106 CO 0.00 -0.23 0.00 0.44 -0.53 0.00 0.00 176.83 176.51 1x5e h ASP 107 N -0.71 0.00 -5.83 6.23 5.19 0.43 -3.47 116.42 118.26 1x5e h ASP 107 Ca -0.06 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.99 1x5e h ASP 107 Cb 0.51 0.00 0.12 0.00 0.18 0.00 0.00 39.33 40.14 1x5e h ASP 107 CO 0.09 0.00 -0.81 0.29 -3.12 0.00 0.00 179.24 175.69 1x5e n LYS 108 N -2.61 -5.24 0.08 3.56 5.02 -0.10 -4.86 118.16 114.01 1x5e n LYS 108 Ca 0.02 0.74 0.12 0.00 -2.02 0.00 0.00 58.31 57.17 1x5e n LYS 108 Cb 0.30 -5.51 0.61 0.00 -0.02 0.00 0.00 35.03 30.41 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 -1.80 0.13 -1.58 1.97 5.08 -1.63 -1.93 114.58 114.82 1x5e h GLU 109 Ca -0.60 -0.01 0.46 0.00 -1.00 0.00 0.00 59.36 58.21 1x5e h GLU 109 Cb 1.35 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.49 1x5e h GLU 109 CO 0.52 0.08 1.12 0.11 -1.00 0.00 0.00 179.01 179.84 1x5e h TRP 110 N 0.13 0.09 -0.69 4.33 5.08 -1.90 0.41 115.95 123.40 1x5e h TRP 110 Ca 0.15 0.00 0.12 0.00 1.08 0.00 0.00 58.89 60.25 1x5e h TRP 110 Cb 0.43 -0.02 -0.09 0.00 -3.00 0.00 0.00 29.16 26.48 1x5e h TRP 110 CO -0.00 -0.03 0.25 0.87 -1.28 0.00 0.00 178.44 178.25 1x5e h LYS 111 N 0.03 0.39 -0.02 0.12 1.57 -1.71 0.24 116.57 117.18 1x5e h LYS 111 Ca 0.78 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.54 1x5e h LYS 111 Cb 3.00 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 35.22 1x5e h LYS 111 CO -0.07 0.26 0.02 0.77 -0.57 0.00 0.00 179.45 179.86 1x5e h SER 112 N 0.40 0.00 -3.55 0.86 0.02 -0.41 -3.42 113.55 107.46 1x5e h SER 112 Ca 0.37 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.80 1x5e h SER 112 Cb 0.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1x5e h SER 112 CO -0.38 0.00 0.17 -0.63 -1.14 0.00 0.00 176.83 174.85 1x5e s ILE 113 N -4.77 4.40 0.37 3.27 1.01 0.86 -5.04 121.20 121.30 1x5e s ILE 113 Ca -0.05 1.63 -0.26 0.00 0.00 0.00 0.00 60.65 61.97 1x5e s ILE 113 Cb 0.16 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 1x5e s ILE 113 CO 0.59 0.45 1.17 -1.83 0.00 0.00 0.00 174.94 175.32 1x5e s GLU 114 N -1.34 4.20 0.26 2.79 -1.05 -1.26 -4.98 118.70 117.32 1x5e s GLU 114 Ca 0.38 1.87 -0.30 0.00 -0.15 0.00 0.00 54.97 56.77 1x5e s GLU 114 Cb -0.22 -2.81 -0.09 0.00 -0.44 0.00 0.00 34.13 30.57 1x5e s GLU 114 CO 0.25 -0.20 1.26 -1.25 0.95 0.00 0.00 175.26 176.27 1x5e s PRO 115 N -2.09 4.43 0.19 -4.83 0.04 -1.26 -4.74 135.00 126.74 1x5e s PRO 115 Ca 0.54 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.72 1x5e s PRO 115 Cb -0.32 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1x5e s PRO 115 CO 0.40 -0.14 -0.17 0.14 0.04 0.00 0.00 177.00 177.28 1x5e s VAL 116 N -0.54 1.86 0.00 -0.36 -7.23 0.80 -4.98 120.40 109.94 1x5e s VAL 116 Ca 0.52 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1x5e s VAL 116 Cb -0.37 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1x5e s VAL 116 CO 0.43 -0.43 0.00 -1.54 -0.31 0.00 0.00 175.10 173.25 1x5e n SER 117 N -0.07 0.00 -3.29 4.85 3.41 -1.26 -2.32 113.62 114.93 1x5e n SER 117 Ca -0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.27 1x5e n SER 117 Cb 0.59 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 1x5e n SER 117 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5e n SER 118 N -2.41 -1.17 -4.42 4.04 7.64 -1.26 -4.82 113.62 111.23 1x5e n SER 118 Ca 0.00 -0.62 -0.44 0.00 1.01 0.00 0.00 58.87 58.82 1x5e n SER 118 Cb 0.00 -1.04 -0.08 0.00 -1.01 0.00 0.00 64.21 62.07 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1x5e s TRP 119 N -2.34 3.24 -0.39 1.43 -0.11 -1.26 -4.78 118.94 114.72 1x5e s TRP 119 Ca 0.47 -0.80 0.06 0.00 1.22 0.00 0.00 56.10 57.05 1x5e s TRP 119 Cb -0.27 -2.97 0.44 0.00 -1.50 0.00 0.00 33.47 29.16 1x5e s TRP 119 CO 0.58 -0.73 1.18 0.34 -4.62 0.00 0.00 176.95 173.70 1x5e n PHE 120 N 5.21 3.12 -3.56 5.86 7.35 -1.26 -5.05 117.46 129.13 1x5e n PHE 120 Ca -0.12 -2.71 -0.21 0.00 -0.76 0.00 0.00 57.45 53.65 1x5e n PHE 120 Cb 0.45 -0.24 -0.01 0.00 0.35 0.00 0.00 39.48 40.03 1x5e n PHE 120 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1x5e s SER 121 N -3.48 6.13 0.01 -2.13 0.01 -1.26 -5.10 113.70 107.89 1x5e s SER 121 Ca 0.50 0.10 -0.23 0.00 1.31 0.00 0.00 55.95 57.62 1x5e s SER 121 Cb 0.41 -1.65 0.08 0.00 0.21 0.00 0.00 66.02 65.06 1x5e s SER 121 CO -0.09 -0.32 1.04 0.61 0.41 0.00 0.00 173.24 174.89 1x5e n GLY 122 N -1.65 0.35 3.55 3.44 0.00 -1.26 -5.10 105.19 104.52 1x5e n GLY 122 Ca -0.04 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.02 2.62 -0.17 1.61 0.04 -1.26 -4.97 135.00 130.85 1x5e s PRO 123 Ca 0.24 0.56 -0.10 0.00 0.04 0.00 0.00 61.00 61.75 1x5e s PRO 123 Cb -0.01 -4.42 -0.05 0.00 0.04 0.00 0.00 34.50 30.06 1x5e s PRO 123 CO 0.00 -2.77 0.17 -1.12 0.04 0.00 0.00 177.00 173.32 1x5e s SER 124 N 8.10 6.31 0.29 6.66 0.01 -1.26 -5.09 113.70 128.73 1x5e s SER 124 Ca 0.67 0.35 0.04 0.00 1.31 0.00 0.00 55.95 58.33 1x5e s SER 124 Cb -0.12 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1x5e s SER 124 CO 0.20 0.23 0.21 -0.94 0.41 0.00 0.00 173.24 173.34 1x5e s SER 125 N 0.00 1.25 0.00 2.44 1.04 -1.26 -5.29 113.70 111.88 1x5e s SER 125 Ca 0.12 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.93 1x5e s SER 125 Cb -0.12 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1x5e s SER 125 CO 0.01 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.87