#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 3.65 0.09 1.61 1.04 -1.26 -5.12 113.70 113.71 1x5e s SER 2 Ca 0.00 -0.99 0.10 0.00 0.48 0.00 0.00 55.95 55.53 1x5e s SER 2 Cb 0.00 -1.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.73 1x5e s SER 2 CO 0.00 -0.14 -0.25 -0.44 0.98 0.00 0.00 173.24 173.39 1x5e s SER 3 N 1.30 3.03 -0.67 7.02 0.01 -1.26 -4.86 113.70 118.27 1x5e s SER 3 Ca -0.02 -0.66 -0.15 0.00 1.31 0.00 0.00 55.95 56.42 1x5e s SER 3 Cb -0.17 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 65.86 1x5e s SER 3 CO -0.08 0.18 0.63 0.61 0.41 0.00 0.00 173.24 174.99 1x5e n GLY 4 N 1.32 -0.76 2.53 3.44 0.00 -1.26 -4.67 105.19 105.79 1x5e n GLY 4 Ca -0.18 0.83 -0.39 0.00 0.00 0.00 0.00 46.02 46.28 1x5e n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5e n SER 5 N -1.62 -0.45 -0.04 1.61 3.41 -1.26 -4.90 113.62 110.37 1x5e n SER 5 Ca -0.21 0.84 -0.09 0.00 -0.26 0.00 0.00 58.87 59.15 1x5e n SER 5 Cb 0.68 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 1x5e n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5e n SER 6 N 1.28 0.78 -3.64 4.04 7.64 -1.26 -5.11 113.62 117.34 1x5e n SER 6 Ca 0.14 0.13 -0.10 0.00 1.01 0.00 0.00 58.87 60.04 1x5e n SER 6 Cb 0.12 -0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 62.97 1x5e n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5e s GLY 7 N -5.04 -0.25 -0.10 0.23 0.00 -1.26 -5.07 107.32 95.83 1x5e s GLY 7 Ca -0.13 -0.07 -0.24 0.00 0.00 0.00 0.00 44.72 44.28 1x5e s GLY 7 CO 0.16 -0.31 0.75 3.43 0.00 0.00 0.00 173.10 177.14 1x5e h ASN 8 N 2.35 0.24 -3.33 1.64 4.21 -1.93 -3.45 115.58 115.30 1x5e h ASN 8 Ca -0.34 -0.92 -0.65 0.00 1.21 0.00 0.00 56.30 55.60 1x5e h ASN 8 Cb 1.26 -0.08 -0.25 0.00 -1.12 0.00 0.00 38.32 38.13 1x5e h ASN 8 CO 0.46 1.28 -0.72 -0.69 -1.29 0.00 0.00 177.43 176.47 1x5e s VAL 9 N -2.35 3.45 0.12 2.81 1.01 -1.26 -4.30 120.40 119.88 1x5e s VAL 9 Ca -0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1x5e s VAL 9 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1x5e s VAL 9 CO 0.75 0.49 0.31 -0.13 0.00 0.00 0.00 175.10 176.52 1x5e s ARG 10 N 0.58 3.52 -0.45 2.72 1.81 0.14 -4.92 118.95 122.34 1x5e s ARG 10 Ca -0.05 -0.32 -0.10 0.00 -1.72 0.00 0.00 55.73 53.54 1x5e s ARG 10 Cb -0.15 -2.93 0.10 0.00 -0.45 0.00 0.00 34.95 31.52 1x5e s ARG 10 CO 0.03 0.51 0.32 0.08 -0.68 0.00 0.00 175.30 175.57 1x5e s VAL 11 N -1.65 4.33 0.22 3.52 1.01 -1.26 -0.37 120.40 126.20 1x5e s VAL 11 Ca 0.38 -1.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 1x5e s VAL 11 Cb -0.12 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 1x5e s VAL 11 CO 0.27 -0.67 0.93 -0.63 0.00 0.00 0.00 175.10 175.00 1x5e s ILE 12 N 1.42 4.16 0.27 2.22 -1.09 -1.23 -4.96 121.20 121.97 1x5e s ILE 12 Ca 0.04 2.05 0.01 0.00 -2.23 0.00 0.00 60.65 60.53 1x5e s ILE 12 Cb -0.25 -4.31 -0.01 0.00 -1.58 0.00 0.00 42.46 36.31 1x5e s ILE 12 CO 0.01 0.48 0.05 0.35 -1.23 0.00 0.00 174.94 174.60 1x5e n THR 13 N 1.67 0.00 0.67 2.92 -2.24 -1.26 -4.83 114.28 111.20 1x5e n THR 13 Ca -0.02 -1.44 0.06 0.00 -2.27 0.00 0.00 64.05 60.39 1x5e n THR 13 Cb 0.47 0.42 0.33 0.00 -2.10 0.00 0.00 70.33 69.46 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 -1.50 0.00 -0.01 3.42 5.75 -1.26 -1.70 116.55 121.24 1x5e n ASP 14 Ca -0.07 -0.14 -0.02 0.00 -0.01 0.00 0.00 54.79 54.55 1x5e n ASP 14 Cb 0.38 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.31 1x5e n ASP 14 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1x5e n GLU 15 N -1.14 1.02 0.25 0.11 0.28 -1.26 -4.64 120.64 115.26 1x5e n GLU 15 Ca 0.07 0.01 0.16 0.00 -0.16 0.00 0.00 57.16 57.24 1x5e n GLU 15 Cb 0.07 -1.06 0.54 0.00 1.43 0.00 0.00 31.44 32.42 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1x5e h ASN 16 N 0.00 0.00 -0.98 -1.84 -0.73 -1.89 -3.29 115.58 106.85 1x5e h ASN 16 Ca -0.07 0.00 0.16 0.00 1.87 0.00 0.00 56.30 58.26 1x5e h ASN 16 Cb 1.12 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.55 1x5e h ASN 16 CO -0.01 0.00 -0.36 -2.67 -0.37 0.00 0.00 177.43 174.02 1x5e n TRP 17 N -3.01 0.08 -0.35 0.67 4.27 -0.69 -0.22 117.44 118.19 1x5e n TRP 17 Ca 0.02 1.20 -0.03 0.00 -3.89 0.00 0.00 57.50 54.80 1x5e n TRP 17 Cb 0.36 -0.90 0.02 0.00 -1.36 0.00 0.00 31.31 29.43 1x5e n TRP 17 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5e h ARG 18 N 0.00 -0.04 -1.26 -2.67 3.08 -1.88 0.68 114.38 112.29 1x5e h ARG 18 Ca 0.36 0.00 0.44 0.00 0.07 0.00 0.00 59.98 60.86 1x5e h ARG 18 Cb 0.61 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.53 1x5e h ARG 18 CO -0.98 -0.02 0.80 0.39 -1.07 0.00 0.00 179.97 179.09 1x5e n GLU 19 N -5.45 -0.04 -0.20 0.04 1.02 0.69 0.14 120.64 116.84 1x5e n GLU 19 Ca 0.08 1.19 -0.00 0.00 -0.02 0.00 0.00 57.16 58.41 1x5e n GLU 19 Cb 0.38 -2.32 0.11 0.00 -0.02 0.00 0.00 31.44 29.59 1x5e n GLU 19 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1x5e h LEU 20 N 0.00 0.23 -1.11 -4.62 3.38 0.33 0.21 115.31 113.73 1x5e h LEU 20 Ca 0.82 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.87 1x5e h LEU 20 Cb 2.61 0.06 0.00 0.00 0.09 0.00 0.00 40.66 43.42 1x5e h LEU 20 CO -0.46 0.14 0.23 -0.07 0.09 0.00 0.00 178.44 178.37 1x5e h LEU 21 N 0.41 0.00 -9.14 1.67 3.38 0.11 -3.39 115.31 108.34 1x5e h LEU 21 Ca 0.30 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.66 1x5e h LEU 21 Cb 0.37 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.97 1x5e h LEU 21 CO -0.30 0.00 -0.55 -1.61 0.09 0.00 0.00 178.44 176.07 1x5e s GLU 22 N -3.44 3.97 0.25 1.13 0.41 0.75 -2.05 118.70 119.71 1x5e s GLU 22 Ca -0.02 -0.32 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 1x5e s GLU 22 Cb 0.05 -3.23 0.00 0.00 -1.78 0.00 0.00 34.13 29.17 1x5e s GLU 22 CO 0.15 0.31 0.00 0.41 -0.49 0.00 0.00 175.26 175.64 1x5e n GLY 23 N 3.44 -1.30 3.74 -1.39 0.00 -1.26 -4.68 105.19 103.74 1x5e n GLY 23 Ca -0.17 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 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 -5.27 7.31 -0.04 1.61 1.01 -1.26 -3.55 116.67 116.49 1x5e s ASP 24 Ca 0.00 2.07 -0.02 0.00 0.71 0.00 0.00 52.55 55.31 1x5e s ASP 24 Cb 0.00 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.35 1x5e s ASP 24 CO 0.00 -0.17 0.06 0.26 0.21 0.00 0.00 175.17 175.52 1x5e s TRP 25 N -0.38 0.07 -0.42 4.23 0.52 0.40 -2.78 118.94 120.58 1x5e s TRP 25 Ca 0.48 0.24 -0.16 0.00 0.02 0.00 0.00 56.10 56.68 1x5e s TRP 25 Cb -0.29 -0.46 0.02 0.00 -1.15 0.00 0.00 33.47 31.59 1x5e s TRP 25 CO 0.35 -0.18 0.35 -1.64 0.02 0.00 0.00 176.95 175.84 1x5e s MET 26 N 2.05 3.01 0.10 4.98 -1.94 0.69 -0.64 119.30 127.54 1x5e s MET 26 Ca 0.03 -0.94 0.03 0.00 -1.71 0.00 0.00 55.69 53.11 1x5e s MET 26 Cb -0.12 -3.98 -0.04 0.00 2.01 0.00 0.00 34.83 32.70 1x5e s MET 26 CO -0.03 -0.79 0.09 0.42 -0.01 0.00 0.00 175.02 174.70 1x5e s ILE 27 N 1.83 4.53 -0.20 2.53 1.01 -0.58 0.02 121.20 130.33 1x5e s ILE 27 Ca 0.07 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 1x5e s ILE 27 Cb -0.18 -3.21 0.09 0.00 0.01 0.00 0.00 42.46 39.17 1x5e s ILE 27 CO 0.11 0.07 0.22 -1.83 0.00 0.00 0.00 174.94 173.51 1x5e s GLU 28 N -2.55 0.18 -0.40 2.79 4.04 -1.15 -0.95 118.70 120.66 1x5e s GLU 28 Ca 0.30 0.21 -0.29 0.00 0.04 0.00 0.00 54.97 55.23 1x5e s GLU 28 Cb -0.12 -1.19 0.02 0.00 0.02 0.00 0.00 34.13 32.87 1x5e s GLU 28 CO 0.22 -0.64 1.18 -0.06 -1.84 0.00 0.00 175.26 174.12 1x5e s PHE 29 N 2.32 2.82 0.42 4.83 0.40 0.69 -2.36 117.98 127.10 1x5e s PHE 29 Ca 0.07 0.85 0.06 0.00 -0.60 0.00 0.00 56.93 57.31 1x5e s PHE 29 Cb -0.16 -4.16 -0.07 0.00 0.51 0.00 0.00 43.02 39.15 1x5e s PHE 29 CO -0.12 -1.31 0.03 1.52 0.70 0.00 0.00 175.22 176.04 1x5e s TYR 30 N 4.38 2.45 -0.07 0.36 -0.85 -0.94 -2.57 117.35 120.11 1x5e s TYR 30 Ca 0.50 -0.69 -0.06 0.00 -0.52 0.00 0.00 57.07 56.30 1x5e s TYR 30 Cb -0.11 -1.78 0.02 0.00 0.38 0.00 0.00 41.96 40.48 1x5e s TYR 30 CO 0.26 0.39 0.19 0.00 -1.52 0.00 0.00 175.55 174.87 1x5e s ALA 31 N -2.72 -0.44 -2.00 9.51 0.00 -1.26 -3.12 121.76 121.73 1x5e s ALA 31 Ca 0.32 0.60 0.11 0.00 0.00 0.00 0.00 51.96 53.00 1x5e s ALA 31 Cb 0.08 -0.36 0.68 0.00 0.00 0.00 0.00 23.12 23.52 1x5e s ALA 31 CO 0.17 -0.11 1.11 -0.35 0.00 0.00 0.00 175.76 176.58 1x5e n PRO 32 N 3.29 0.48 0.00 0.00 -0.04 -1.26 -1.92 135.00 135.56 1x5e n PRO 32 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1x5e n PRO 32 Cb 0.57 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1x5e n PRO 32 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5e n TRP 33 N -0.87 0.00 -2.95 0.54 4.27 -1.26 -5.05 117.44 112.13 1x5e n TRP 33 Ca 0.09 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.30 1x5e n TRP 33 Cb 0.04 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 29.93 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 4.92 -0.08 -0.94 0.00 0.13 -1.95 -3.14 132.00 130.94 1x5e h PRO 35 Ca -0.45 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 1x5e h PRO 35 Cb 1.21 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1x5e h PRO 35 CO 0.68 0.38 0.62 0.00 -0.23 0.00 0.00 178.00 179.45 1x5e h ALA 36 N 0.32 1.43 0.23 -0.56 0.00 -1.94 -2.84 119.26 115.90 1x5e h ALA 36 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1x5e h ALA 36 Cb 0.49 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1x5e h ALA 36 CO 0.01 0.45 -0.40 0.00 0.00 0.00 0.00 179.25 179.31 1x5e h GLN 38 N -0.71 0.00 0.00 0.00 4.20 -1.45 1.80 115.11 118.95 1x5e h GLN 38 Ca -0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1x5e h GLN 38 Cb 0.69 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 1x5e h GLN 38 CO -0.17 0.00 -1.78 0.09 -0.67 0.00 0.00 178.83 176.30 1x5e n ASN 39 N -3.02 0.85 0.10 1.46 3.02 -0.06 -4.18 115.26 113.42 1x5e n ASN 39 Ca 0.09 0.37 -0.15 0.00 -0.03 0.00 0.00 54.58 54.86 1x5e n ASN 39 Cb 1.00 -0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 40.03 1x5e n ASN 39 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1x5e h LEU 40 N 0.00 0.36 -0.70 3.41 5.85 0.35 -3.31 115.31 121.27 1x5e h LEU 40 Ca -0.31 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.10 1x5e h LEU 40 Cb 2.03 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.85 1x5e h LEU 40 CO 0.07 1.31 -0.34 0.00 -0.34 0.00 0.00 178.44 179.14 1x5e n GLN 41 N -3.50 -0.24 -0.05 1.25 1.13 0.92 -0.03 117.38 116.86 1x5e n GLN 41 Ca -0.07 1.07 -0.13 0.00 -1.94 0.00 0.00 57.00 55.93 1x5e n GLN 41 Cb 1.01 -1.58 -0.07 0.00 0.11 0.00 0.00 30.24 29.71 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 0.36 -0.98 -1.09 0.13 -1.81 -3.00 132.00 125.62 1x5e h PRO 42 Ca 0.18 -0.19 0.20 0.00 -0.87 0.00 0.00 66.00 65.32 1x5e h PRO 42 Cb 0.35 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.40 1x5e h PRO 42 CO -0.68 0.74 0.62 0.93 -0.23 0.00 0.00 178.00 179.38 1x5e h GLU 43 N -0.01 0.61 -0.06 0.86 3.07 -0.66 -0.91 114.58 117.49 1x5e h GLU 43 Ca 0.02 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1x5e h GLU 43 Cb 0.68 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1x5e h GLU 43 CO 0.04 0.41 -0.02 2.35 -1.40 0.00 0.00 179.01 180.38 1x5e h TRP 44 N 0.63 0.14 -0.39 4.33 -0.00 -0.42 -2.26 115.95 117.98 1x5e h TRP 44 Ca 0.54 -0.03 0.06 0.00 -0.00 0.00 0.00 58.89 59.46 1x5e h TRP 44 Cb 1.02 -0.03 -0.05 0.00 -0.00 0.00 0.00 29.16 30.10 1x5e h TRP 44 CO -0.00 0.47 0.07 0.93 -0.00 0.00 0.00 178.44 179.91 1x5e h GLU 45 N -0.23 0.19 0.00 2.65 5.08 -1.08 0.12 114.58 121.31 1x5e h GLU 45 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1x5e h GLU 45 Cb 0.43 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1x5e h GLU 45 CO 0.01 0.13 -0.05 0.77 -1.00 0.00 0.00 179.01 178.87 1x5e h SER 46 N 0.20 0.00 0.00 1.42 0.02 -1.22 -3.07 113.55 110.89 1x5e h SER 46 Ca 0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1x5e h SER 46 Cb 0.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1x5e h SER 46 CO -0.25 0.05 -0.05 0.15 -1.14 0.00 0.00 176.83 175.58 1x5e h PHE 47 N 0.00 0.00 0.00 3.45 3.57 -0.31 -3.30 116.94 120.35 1x5e h PHE 47 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1x5e h PHE 47 Cb 0.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1x5e h PHE 47 CO 0.00 0.23 0.60 0.00 -2.23 0.00 0.00 178.31 176.92 1x5e h ALA 48 N -0.79 1.59 0.47 2.41 0.00 -0.82 -1.09 119.26 121.03 1x5e h ALA 48 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1x5e h ALA 48 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1x5e h ALA 48 CO -0.00 -0.59 -0.48 0.93 0.00 0.00 0.00 179.25 179.11 1x5e h GLU 49 N 0.00 -0.92 0.00 0.00 4.39 -1.61 -3.09 114.58 113.36 1x5e h GLU 49 Ca 0.00 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1x5e h GLU 49 Cb 1.21 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1x5e h GLU 49 CO 0.00 -0.61 -0.78 0.11 -1.16 0.00 0.00 179.01 176.57 1x5e h TRP 50 N -0.95 0.00 0.00 4.33 5.08 -1.50 -3.41 115.95 119.51 1x5e h TRP 50 Ca -0.06 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.91 1x5e h TRP 50 Cb 0.82 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 1x5e h TRP 50 CO -0.25 0.03 0.00 0.41 -1.28 0.00 0.00 178.44 177.36 1x5e n GLY 51 N 1.17 -2.85 0.40 11.11 0.00 -0.51 0.16 105.19 114.68 1x5e n GLY 51 Ca 0.01 0.56 0.20 0.00 0.00 0.00 0.00 46.02 46.79 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 -0.66 1.61 4.11 -1.56 0.32 114.58 118.40 1x5e h GLU 52 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1x5e h GLU 52 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1x5e h GLU 52 CO 0.00 0.00 0.12 0.22 0.07 0.00 0.00 179.01 179.42 1x5e h ASP 53 N 0.00 1.03 -0.29 3.06 3.58 0.14 -2.32 116.42 121.62 1x5e h ASP 53 Ca 0.21 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.34 1x5e h ASP 53 Cb 1.42 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 42.16 1x5e h ASP 53 CO -0.00 1.02 0.08 0.18 -2.88 0.00 0.00 179.24 177.64 1x5e n LEU 54 N -4.25 3.42 -3.35 2.28 4.77 0.11 -4.87 117.00 115.11 1x5e n LEU 54 Ca 0.04 -1.75 -0.16 0.00 -0.03 0.00 0.00 56.01 54.10 1x5e n LEU 54 Cb 0.28 -0.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.85 1x5e n LEU 54 CO 0.43 0.50 0.06 -0.62 -1.33 0.00 0.00 177.39 176.43 1x5e n GLU 55 N 0.12 -4.39 -3.69 3.23 1.02 -0.87 -4.97 120.64 111.09 1x5e n GLU 55 Ca 0.15 0.85 -0.13 0.00 -0.02 0.00 0.00 57.16 58.01 1x5e n GLU 55 Cb 0.74 -5.82 -0.13 0.00 -0.02 0.00 0.00 31.44 26.22 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x5e s VAL 56 N -3.38 -0.25 0.07 2.62 0.11 -1.16 -4.79 120.40 113.61 1x5e s VAL 56 Ca 0.23 0.22 -0.25 0.00 -2.93 0.00 0.00 61.98 59.24 1x5e s VAL 56 Cb -0.03 -0.43 -0.06 0.00 -1.53 0.00 0.00 36.38 34.33 1x5e s VAL 56 CO 0.74 0.09 0.78 0.20 -3.33 0.00 0.00 175.10 173.57 1x5e s ASN 57 N 1.90 7.25 -0.01 3.54 0.01 -1.12 -2.34 114.94 124.18 1x5e s ASN 57 Ca -0.04 1.49 0.03 0.00 -0.71 0.00 0.00 52.86 53.64 1x5e s ASN 57 Cb -0.11 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 1x5e s ASN 57 CO -0.09 0.04 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.82 1x5e s ILE 58 N -0.22 3.45 0.18 0.60 1.09 -1.26 -0.22 121.20 124.81 1x5e s ILE 58 Ca 0.38 -0.77 -0.10 0.00 -1.10 0.00 0.00 60.65 59.06 1x5e s ILE 58 Cb -0.21 -2.45 -0.00 0.00 -1.06 0.00 0.00 42.46 38.73 1x5e s ILE 58 CO 0.24 0.45 0.33 0.00 -0.10 0.00 0.00 174.94 175.86 1x5e s ALA 59 N -0.91 -0.12 0.02 9.38 0.00 0.10 0.29 121.76 130.52 1x5e s ALA 59 Ca 0.15 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1x5e s ALA 59 Cb -0.11 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1x5e s ALA 59 CO 0.05 -0.69 -0.08 -1.59 0.00 0.00 0.00 175.76 173.45 1x5e s LYS 60 N -3.96 0.57 0.01 0.00 -2.85 0.50 -2.93 119.74 111.07 1x5e s LYS 60 Ca 0.17 -0.50 0.08 0.00 -1.00 0.00 0.00 55.97 54.73 1x5e s LYS 60 Cb 0.02 -0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 35.29 1x5e s LYS 60 CO 0.01 0.12 -0.26 0.08 0.10 0.00 0.00 175.35 175.40 1x5e s VAL 61 N -0.70 2.14 -0.21 1.79 1.01 -0.99 -3.58 120.40 119.86 1x5e s VAL 61 Ca -0.02 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.66 1x5e s VAL 61 Cb -0.06 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1x5e s VAL 61 CO 0.00 0.48 0.07 -1.81 0.00 0.00 0.00 175.10 173.85 1x5e s ASP 62 N -0.91 5.50 -0.05 3.32 1.01 -1.26 -2.21 116.67 122.07 1x5e s ASP 62 Ca 0.11 -0.01 0.02 0.00 0.71 0.00 0.00 52.55 53.38 1x5e s ASP 62 Cb -0.10 -1.96 0.13 0.00 1.01 0.00 0.00 42.92 42.00 1x5e s ASP 62 CO 0.01 0.10 0.79 1.33 0.21 0.00 0.00 175.17 177.61 1x5e n VAL 63 N 4.05 0.63 0.00 -1.27 0.24 -1.18 -2.28 118.33 118.52 1x5e n VAL 63 Ca -0.16 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1x5e n VAL 63 Cb 0.52 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 0.13 0.00 -0.10 3.34 -2.24 -1.26 -4.82 114.28 109.33 1x5e n THR 64 Ca 0.06 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1x5e n THR 64 Cb 0.46 -0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.33 0.68 -3.43 -0.78 -0.58 -1.21 -4.78 120.64 109.20 1x5e n GLU 65 Ca 0.00 0.08 -0.44 0.00 -0.42 0.00 0.00 57.16 56.38 1x5e n GLU 65 Cb 0.26 -1.55 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 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 -2.51 3.03 0.29 3.49 -1.52 -0.96 -4.91 119.66 116.57 1x5e s GLN 66 Ca -0.18 -2.12 0.08 0.00 -1.95 0.00 0.00 55.36 51.18 1x5e s GLN 66 Cb 0.07 -4.18 0.45 0.00 -0.22 0.00 0.00 33.01 29.14 1x5e s GLN 66 CO 0.75 -1.26 1.68 -1.00 -0.25 0.00 0.00 175.29 175.21 1x5e h PRO 67 N 8.10 0.15 0.04 2.91 0.13 -1.86 -3.10 132.00 138.38 1x5e h PRO 67 Ca -0.09 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1x5e h PRO 67 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1x5e h PRO 67 CO 0.84 0.60 -0.02 0.78 -0.23 0.00 0.00 178.00 179.97 1x5e h GLY 68 N 1.35 -0.05 -1.22 1.56 0.00 -1.97 -3.34 103.07 99.40 1x5e h GLY 68 Ca 0.01 0.02 0.45 0.00 0.00 0.00 0.00 47.33 47.81 1x5e h GLY 68 CO 0.07 -0.02 0.74 1.04 0.00 0.00 0.00 176.54 178.37 1x5e n LEU 69 N -2.96 0.27 -0.23 3.11 4.77 -1.26 0.51 117.00 121.21 1x5e n LEU 69 Ca -0.01 1.51 0.03 0.00 -0.03 0.00 0.00 56.01 57.51 1x5e n LEU 69 Cb 0.02 -0.74 0.12 0.00 -2.33 0.00 0.00 43.42 40.49 1x5e n LEU 69 CO 0.01 -1.66 0.81 -1.28 -1.33 0.00 0.00 177.39 173.94 1x5e h SER 70 N 0.00 -0.39 0.51 -1.43 0.87 -1.66 -1.81 113.55 109.64 1x5e h SER 70 Ca 0.87 0.18 -0.29 0.00 -1.23 0.00 0.00 61.79 61.32 1x5e h SER 70 Cb 2.59 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 64.87 1x5e h SER 70 CO -0.60 -0.17 -1.52 1.23 -0.53 0.00 0.00 176.83 175.25 1x5e h GLY 71 N 0.08 0.20 -0.85 5.77 0.00 -0.09 -2.71 103.07 105.49 1x5e h GLY 71 Ca 0.36 -0.52 0.11 0.00 0.00 0.00 0.00 47.33 47.28 1x5e h GLY 71 CO -0.63 0.46 -0.48 3.21 0.00 0.00 0.00 176.54 179.10 1x5e h ARG 72 N 0.05 -0.07 -1.18 4.80 2.47 -0.41 1.04 114.38 121.08 1x5e h ARG 72 Ca -0.23 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.37 1x5e h ARG 72 Cb 1.98 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 30.25 1x5e h ARG 72 CO 0.14 -0.05 0.17 1.19 0.56 0.00 0.00 179.97 181.98 1x5e n PHE 73 N -5.37 0.72 -3.42 3.04 3.01 -1.05 -4.77 117.46 109.62 1x5e n PHE 73 Ca 0.04 -0.97 -0.26 0.00 1.01 0.00 0.00 57.45 57.27 1x5e n PHE 73 Cb 0.33 -0.49 -0.05 0.00 -0.01 0.00 0.00 39.48 39.27 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 0.31 0.00 -1.70 4.37 -0.00 0.36 -4.70 119.36 118.00 1x5e n ILE 74 Ca 0.14 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.50 1x5e n ILE 74 Cb 0.72 -0.31 -0.03 0.00 -0.00 0.00 0.00 39.64 40.02 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 -2.43 3.12 -0.21 7.28 -1.09 -1.02 -4.77 121.20 122.08 1x5e s ILE 75 Ca 0.52 0.10 0.08 0.00 -2.23 0.00 0.00 60.65 59.12 1x5e s ILE 75 Cb -0.30 -3.24 -0.21 0.00 -1.58 0.00 0.00 42.46 37.12 1x5e s ILE 75 CO 0.63 -0.21 -0.01 -0.46 -1.23 0.00 0.00 174.94 173.66 1x5e n ASN 76 N 13.67 1.14 -4.38 3.58 0.23 -1.26 -4.83 115.26 123.40 1x5e n ASN 76 Ca 0.31 -0.02 -0.19 0.00 -0.53 0.00 0.00 54.58 54.14 1x5e n ASN 76 Cb 0.51 0.14 -0.10 0.00 -2.08 0.00 0.00 39.78 38.24 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x5e s ALA 77 N -2.52 2.12 0.02 -2.53 0.00 -1.26 -5.17 121.76 112.42 1x5e s ALA 77 Ca -0.22 -1.83 -0.05 0.00 0.00 0.00 0.00 51.96 49.85 1x5e s ALA 77 Cb 0.08 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1x5e s ALA 77 CO 0.72 -0.13 0.09 -0.51 0.00 0.00 0.00 175.76 175.93 1x5e s LEU 78 N -3.38 1.78 1.00 0.00 1.43 -1.26 -4.27 118.68 113.97 1x5e s LEU 78 Ca 0.28 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1x5e s LEU 78 Cb 0.04 0.54 0.19 0.00 0.03 0.00 0.00 46.19 46.99 1x5e s LEU 78 CO 0.10 -0.41 1.09 -2.16 0.23 0.00 0.00 176.35 175.20 1x5e s PRO 79 N -1.88 0.44 -0.25 1.29 0.04 -1.26 -4.92 135.00 128.46 1x5e s PRO 79 Ca -0.11 0.53 -0.05 0.00 0.04 0.00 0.00 61.00 61.41 1x5e s PRO 79 Cb -0.05 -1.74 0.13 0.00 0.04 0.00 0.00 34.50 32.88 1x5e s PRO 79 CO -0.01 -2.73 0.48 0.99 0.04 0.00 0.00 177.00 175.77 1x5e s THR 80 N -2.96 -0.77 -0.12 1.26 2.01 -1.06 -4.99 115.64 109.02 1x5e s THR 80 Ca 0.65 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.63 1x5e s THR 80 Cb -0.19 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1x5e s THR 80 CO 0.58 -0.02 0.09 -0.63 -0.69 0.00 0.00 174.62 173.95 1x5e s ILE 81 N 2.69 5.06 -0.08 1.82 1.01 -1.26 -0.23 121.20 130.21 1x5e s ILE 81 Ca 0.07 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1x5e s ILE 81 Cb -0.14 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.16 1x5e s ILE 81 CO -0.17 0.60 -0.09 -0.31 0.00 0.00 0.00 174.94 174.98 1x5e s TYR 82 N -0.84 1.34 -0.26 3.97 2.02 -0.12 -0.17 117.35 123.28 1x5e s TYR 82 Ca 0.13 -0.56 -0.15 0.00 -0.37 0.00 0.00 57.07 56.12 1x5e s TYR 82 Cb -0.12 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 1x5e s TYR 82 CO 0.03 -0.37 0.37 -1.58 -1.57 0.00 0.00 175.55 172.43 1x5e s HIS 83 N 1.22 3.26 -0.21 2.71 5.65 0.38 -1.53 115.29 126.78 1x5e s HIS 83 Ca -0.05 0.42 -0.08 0.00 0.25 0.00 0.00 55.06 55.61 1x5e s HIS 83 Cb -0.14 -2.56 -0.04 0.00 -1.18 0.00 0.00 32.58 28.66 1x5e s HIS 83 CO -0.02 -0.20 0.08 0.00 -0.65 0.00 0.00 174.74 173.94 1x5e s LYS 85 N 0.84 1.52 -1.80 0.00 2.20 0.04 -0.45 119.74 122.08 1x5e s LYS 85 Ca 0.04 -0.63 -0.20 0.00 -0.36 0.00 0.00 55.97 54.82 1x5e s LYS 85 Cb -0.13 -2.16 0.19 0.00 -1.51 0.00 0.00 37.83 34.21 1x5e s LYS 85 CO 0.02 -0.47 0.58 -0.25 -0.36 0.00 0.00 175.35 174.88 1x5e n ASP 86 N 4.82 -1.88 0.00 1.43 8.00 -1.23 0.52 116.55 128.21 1x5e n ASP 86 Ca -0.12 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.19 1x5e n ASP 86 Cb 0.47 -1.92 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 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 -1.31 3.06 3.52 0.44 0.00 -0.87 -4.94 105.19 105.09 1x5e n GLY 87 Ca 0.05 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1x5e n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x5e n GLU 88 N 0.00 -0.40 -3.90 1.61 1.02 0.18 -4.89 120.64 114.27 1x5e n GLU 88 Ca 0.00 -0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 56.95 1x5e n GLU 88 Cb 0.00 -2.07 -0.14 0.00 -0.02 0.00 0.00 31.44 29.20 1x5e n GLU 88 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1x5e s PHE 89 N -2.50 0.07 -0.10 -0.32 0.08 -1.26 -0.78 117.98 113.17 1x5e s PHE 89 Ca 0.61 0.00 -0.04 0.00 0.12 0.00 0.00 56.93 57.62 1x5e s PHE 89 Cb -0.22 -0.07 0.05 0.00 -0.57 0.00 0.00 43.02 42.21 1x5e s PHE 89 CO 0.64 -0.01 0.21 1.03 -0.10 0.00 0.00 175.22 176.98 1x5e s ARG 90 N 0.13 0.10 0.45 0.44 0.52 0.07 -1.72 118.95 118.93 1x5e s ARG 90 Ca -0.01 0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 55.58 1x5e s ARG 90 Cb -0.02 -0.16 -0.08 0.00 0.52 0.00 0.00 34.95 35.22 1x5e s ARG 90 CO -0.00 -0.28 1.30 0.50 0.02 0.00 0.00 175.30 176.83 1x5e s ARG 91 N 2.21 3.75 -0.06 3.54 3.52 -1.26 -0.47 118.95 130.18 1x5e s ARG 91 Ca 0.01 2.12 -0.30 0.00 -0.13 0.00 0.00 55.73 57.43 1x5e s ARG 91 Cb -0.12 -2.59 -0.03 0.00 -1.56 0.00 0.00 34.95 30.65 1x5e s ARG 91 CO -0.07 -0.66 1.17 -0.47 -0.81 0.00 0.00 175.30 174.45 1x5e s TYR 92 N -1.32 3.26 -0.68 5.12 5.04 0.76 -4.86 117.35 124.67 1x5e s TYR 92 Ca 0.61 1.28 0.05 0.00 -2.44 0.00 0.00 57.07 56.58 1x5e s TYR 92 Cb -0.37 -3.38 0.27 0.00 0.35 0.00 0.00 41.96 38.82 1x5e s TYR 92 CO 0.47 -1.12 0.85 1.04 -1.34 0.00 0.00 175.55 175.44 1x5e n GLN 93 N 5.11 2.82 -3.98 4.97 6.02 -1.26 -4.78 117.38 126.27 1x5e n GLN 93 Ca 0.10 -4.69 -0.12 0.00 -0.01 0.00 0.00 57.00 52.29 1x5e n GLN 93 Cb 0.47 -2.28 -0.02 0.00 1.02 0.00 0.00 30.24 29.42 1x5e n GLN 93 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1x5e s GLY 94 N -2.52 0.95 0.00 1.08 0.00 -1.26 -5.02 107.32 100.55 1x5e s GLY 94 Ca 0.40 -1.15 0.16 0.00 0.00 0.00 0.00 44.72 44.13 1x5e s GLY 94 CO -0.01 -0.71 1.35 -1.55 0.00 0.00 0.00 173.10 172.18 1x5e n PRO 95 N -0.52 0.47 -3.55 2.90 -0.04 -1.26 -4.85 135.00 128.15 1x5e n PRO 95 Ca -0.02 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.23 1x5e n PRO 95 Cb 0.61 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.02 -7.45 -4.18 0.54 1.74 -1.26 -5.00 116.66 100.04 1x5e n ARG 96 Ca 0.11 0.83 -0.31 0.00 -0.77 0.00 0.00 57.85 57.71 1x5e n ARG 96 Cb 0.06 -5.86 -0.08 0.00 -1.02 0.00 0.00 32.46 25.55 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 4.13 0.05 0.55 -4.23 -1.26 -4.92 115.64 106.63 1x5e s THR 97 Ca 0.39 -0.82 -0.12 0.00 -1.18 0.00 0.00 61.69 59.97 1x5e s THR 97 Cb -0.17 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 1x5e s THR 97 CO 0.73 0.21 1.20 0.50 -0.54 0.00 0.00 174.62 176.73 1x5e h LYS 98 N 3.75 -0.05 -0.34 3.99 3.64 -1.95 -0.46 116.57 125.15 1x5e h LYS 98 Ca -0.48 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 1x5e h LYS 98 Cb 1.17 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1x5e h LYS 98 CO 0.60 -0.03 -0.33 -0.22 -2.27 0.00 0.00 179.45 177.19 1x5e h LYS 99 N -0.05 -0.16 -0.88 1.90 3.64 -1.97 -2.00 116.57 117.05 1x5e h LYS 99 Ca 0.05 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1x5e h LYS 99 Cb 0.17 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 31.93 1x5e h LYS 99 CO -0.30 -0.11 -0.52 -0.25 -2.27 0.00 0.00 179.45 176.01 1x5e n ASP 100 N -4.29 -0.93 -0.20 4.20 9.92 -0.87 -1.35 116.55 123.03 1x5e n ASP 100 Ca -0.01 1.67 -0.05 0.00 -0.53 0.00 0.00 54.79 55.87 1x5e n ASP 100 Cb 0.19 -0.26 -0.05 0.00 -0.64 0.00 0.00 41.12 40.36 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 -4.99 -0.21 -0.16 1.24 3.72 -0.24 -1.05 117.46 115.77 1x5e n PHE 101 Ca 0.02 0.61 -0.04 0.00 -0.05 0.00 0.00 57.45 57.98 1x5e n PHE 101 Cb 0.23 -0.50 -0.04 0.00 -0.94 0.00 0.00 39.48 38.23 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 -4.13 -0.26 -0.10 4.37 -0.00 -0.46 0.47 119.36 119.25 1x5e n ILE 102 Ca 0.01 1.37 -0.06 0.00 -0.00 0.00 0.00 62.75 64.07 1x5e n ILE 102 Cb 0.13 -1.73 0.01 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 -0.58 -1.03 4.38 2.35 -1.06 0.32 115.58 119.96 1x5e h ASN 103 Ca 0.06 0.14 0.30 0.00 -0.55 0.00 0.00 56.30 56.25 1x5e h ASN 103 Cb 0.16 0.32 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 1x5e h ASN 103 CO -0.36 -0.21 0.82 0.15 -1.65 0.00 0.00 177.43 176.18 1x5e h PHE 104 N -0.11 0.00 0.00 1.19 3.57 0.99 1.23 116.94 123.81 1x5e h PHE 104 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 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 -0.40 0.00 -0.49 -0.89 -2.23 0.00 0.00 178.31 174.31 1x5e n ILE 105 N -3.99 1.20 0.20 1.41 2.08 0.58 -2.66 119.36 118.18 1x5e n ILE 105 Ca 0.22 0.25 -0.15 0.00 0.56 0.00 0.00 62.75 63.63 1x5e n ILE 105 Cb 1.16 -2.25 -0.08 0.00 -0.75 0.00 0.00 39.64 37.72 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 -0.84 -0.38 0.00 4.38 0.87 -0.15 -1.79 113.55 115.64 1x5e h SER 106 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1x5e h SER 106 Cb 0.49 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1x5e h SER 106 CO 0.00 -0.24 0.00 0.47 -0.53 0.00 0.00 176.83 176.53 1x5e n ASP 107 N -5.27 0.00 -3.83 6.23 9.92 0.42 -4.86 116.55 119.16 1x5e n ASP 107 Ca -0.10 -1.54 -0.31 0.00 -0.53 0.00 0.00 54.79 52.31 1x5e n ASP 107 Cb 0.21 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.62 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 -0.62 -0.82 -0.01 -1.24 5.02 -0.67 -4.67 118.16 115.14 1x5e n LYS 108 Ca 0.05 0.10 0.23 0.00 -2.02 0.00 0.00 58.31 56.67 1x5e n LYS 108 Cb 0.02 -3.38 0.65 0.00 -0.02 0.00 0.00 35.03 32.30 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 -0.76 0.00 -0.80 1.97 5.08 -1.62 0.20 114.58 118.65 1x5e h GLU 109 Ca -0.47 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1x5e h GLU 109 Cb 1.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1x5e h GLU 109 CO 0.65 0.00 0.59 0.11 -1.00 0.00 0.00 179.01 179.36 1x5e h TRP 110 N 0.00 0.00 -0.39 4.33 5.08 -1.83 0.24 115.95 123.37 1x5e h TRP 110 Ca 0.30 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.38 1x5e h TRP 110 Cb 1.71 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.85 1x5e h TRP 110 CO 0.00 0.00 0.34 0.87 -1.28 0.00 0.00 178.44 178.37 1x5e h LYS 111 N 0.00 0.00 -0.72 0.12 1.57 -0.93 0.43 116.57 117.05 1x5e h LYS 111 Ca 0.38 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1x5e h LYS 111 Cb 1.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 1x5e h LYS 111 CO -0.00 0.00 0.03 0.43 -0.57 0.00 0.00 179.45 179.34 1x5e n SER 112 N -4.04 4.38 -4.32 0.86 7.64 0.83 -4.89 113.62 114.09 1x5e n SER 112 Ca 0.07 -2.71 -0.29 0.00 1.01 0.00 0.00 58.87 56.95 1x5e n SER 112 Cb 0.52 -0.64 -0.15 0.00 -1.01 0.00 0.00 64.21 62.93 1x5e n SER 112 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1x5e s ILE 113 N -2.29 2.00 -0.38 0.44 1.01 0.15 -5.10 121.20 117.04 1x5e s ILE 113 Ca 0.40 -1.32 -0.28 0.00 0.00 0.00 0.00 60.65 59.44 1x5e s ILE 113 Cb 0.30 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 41.08 1x5e s ILE 113 CO 0.11 0.33 1.03 -1.61 0.00 0.00 0.00 174.94 174.80 1x5e s GLU 114 N -1.20 3.90 0.70 2.79 2.02 -1.26 -5.02 118.70 120.63 1x5e s GLU 114 Ca 0.10 0.76 -0.12 0.00 0.02 0.00 0.00 54.97 55.74 1x5e s GLU 114 Cb -0.10 -3.80 0.17 0.00 0.10 0.00 0.00 34.13 30.51 1x5e s GLU 114 CO 0.02 -1.03 0.62 -0.35 0.02 0.00 0.00 175.26 174.54 1x5e n PRO 115 N 7.06 -2.25 -5.21 0.39 -0.04 -1.26 -4.58 135.00 129.12 1x5e n PRO 115 Ca 0.10 -1.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.26 1x5e n PRO 115 Cb 0.48 -0.94 -0.16 0.00 -0.04 0.00 0.00 33.50 32.84 1x5e n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1x5e s VAL 116 N -2.13 1.95 -0.18 0.52 -7.23 -0.70 -4.97 120.40 107.65 1x5e s VAL 116 Ca 0.41 -1.02 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1x5e s VAL 116 Cb -0.04 -1.64 -0.21 0.00 0.56 0.00 0.00 36.38 35.05 1x5e s VAL 116 CO 0.31 0.55 0.15 -0.24 -0.31 0.00 0.00 175.10 175.55 1x5e n SER 117 N 2.80 2.02 -4.57 4.85 2.88 -1.26 -4.54 113.62 115.80 1x5e n SER 117 Ca -0.17 0.21 -0.19 0.00 -1.33 0.00 0.00 58.87 57.40 1x5e n SER 117 Cb 0.52 -0.81 -0.08 0.00 -0.75 0.00 0.00 64.21 63.09 1x5e n SER 117 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5e s SER 118 N -6.96 4.12 -0.68 -3.46 0.15 -1.26 -4.82 113.70 100.79 1x5e s SER 118 Ca -0.28 -0.71 0.02 0.00 0.70 0.00 0.00 55.95 55.68 1x5e s SER 118 Cb 0.08 -2.57 0.17 0.00 -1.71 0.00 0.00 66.02 61.98 1x5e s SER 118 CO 0.67 -3.88 0.48 0.86 1.20 0.00 0.00 173.24 172.57 1x5e s TRP 119 N 14.19 3.51 -0.27 3.44 -0.11 -1.26 -5.00 118.94 133.44 1x5e s TRP 119 Ca 0.81 -3.16 -0.05 0.00 1.22 0.00 0.00 56.10 54.92 1x5e s TRP 119 Cb -0.07 -2.90 0.01 0.00 -1.50 0.00 0.00 33.47 29.01 1x5e s TRP 119 CO 0.11 -0.67 0.02 0.12 -4.62 0.00 0.00 176.95 171.91 1x5e s PHE 120 N -0.95 3.09 -0.18 5.86 5.36 -1.26 -5.07 117.98 124.83 1x5e s PHE 120 Ca 0.22 -1.13 -0.04 0.00 -0.96 0.00 0.00 56.93 55.02 1x5e s PHE 120 Cb -0.13 -2.17 0.09 0.00 -0.34 0.00 0.00 43.02 40.47 1x5e s PHE 120 CO -0.10 -0.61 0.30 -1.54 -1.46 0.00 0.00 175.22 171.81 1x5e s SER 121 N 1.45 0.47 -0.14 6.13 1.04 -1.26 -4.82 113.70 116.56 1x5e s SER 121 Ca 0.02 0.39 -0.17 0.00 0.48 0.00 0.00 55.95 56.68 1x5e s SER 121 Cb -0.16 0.81 0.04 0.00 0.10 0.00 0.00 66.02 66.81 1x5e s SER 121 CO -0.01 -0.27 0.47 -0.83 0.98 0.00 0.00 173.24 173.58 1x5e s GLY 122 N 2.45 -0.34 0.60 7.32 0.00 -1.26 -5.08 107.32 111.01 1x5e s GLY 122 Ca 0.04 1.19 -0.17 0.00 0.00 0.00 0.00 44.72 45.79 1x5e s GLY 122 CO -0.11 0.99 1.12 2.56 0.00 0.00 0.00 173.10 177.65 1x5e s PRO 123 N -0.09 3.07 -0.60 2.90 0.04 -1.26 -4.97 135.00 134.10 1x5e s PRO 123 Ca -0.03 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 1x5e s PRO 123 Cb -0.03 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1x5e s PRO 123 CO 0.02 -1.05 1.09 0.45 0.04 0.00 0.00 177.00 177.54 1x5e s SER 124 N -2.21 6.34 -0.21 6.66 0.15 -1.26 -5.01 113.70 118.17 1x5e s SER 124 Ca 0.70 -0.24 -0.12 0.00 0.70 0.00 0.00 55.95 56.99 1x5e s SER 124 Cb -0.22 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 1x5e s SER 124 CO 0.35 -1.43 0.23 -0.44 1.20 0.00 0.00 173.24 173.15 1x5e s SER 125 N 3.08 6.26 0.00 5.45 0.01 -1.26 -5.31 113.70 121.93 1x5e s SER 125 Ca 0.35 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1x5e s SER 125 Cb -0.10 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1x5e s SER 125 CO 0.20 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.52