#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 6.20 -0.02 1.61 0.01 -1.26 -5.00 113.70 115.24 1x5e s SER 2 Ca 0.00 -1.25 -0.29 0.00 1.31 0.00 0.00 55.95 55.72 1x5e s SER 2 Cb 0.00 -2.29 0.09 0.00 0.21 0.00 0.00 66.02 64.03 1x5e s SER 2 CO 0.00 -1.01 0.77 -0.55 0.41 0.00 0.00 173.24 172.86 1x5e s SER 3 N 3.25 -0.53 0.38 2.44 0.15 -1.26 -5.09 113.70 113.04 1x5e s SER 3 Ca 0.12 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1x5e s SER 3 Cb -0.22 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1x5e s SER 3 CO 0.08 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1x5e n GLY 4 N 0.39 -1.80 3.30 9.45 0.00 -1.26 -5.08 105.19 110.20 1x5e n GLY 4 Ca -0.15 0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1x5e n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5e s SER 5 N -1.83 5.94 -0.49 1.61 0.15 -1.26 -5.04 113.70 112.78 1x5e s SER 5 Ca 0.00 -1.61 -0.24 0.00 0.70 0.00 0.00 55.95 54.81 1x5e s SER 5 Cb 0.00 -2.11 0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1x5e s SER 5 CO 0.00 -0.68 0.85 -0.55 1.20 0.00 0.00 173.24 174.06 1x5e s SER 6 N 2.75 6.39 -0.00 5.45 0.15 -1.26 -5.03 113.70 122.15 1x5e s SER 6 Ca 0.04 -0.20 0.07 0.00 0.70 0.00 0.00 55.95 56.56 1x5e s SER 6 Cb -0.26 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 1x5e s SER 6 CO 0.03 -1.04 -0.22 -0.83 1.20 0.00 0.00 173.24 172.38 1x5e s GLY 7 N 2.43 1.41 0.21 9.45 0.00 -1.26 -5.03 107.32 114.53 1x5e s GLY 7 Ca 0.30 -1.14 -0.09 0.00 0.00 0.00 0.00 44.72 43.80 1x5e s GLY 7 CO 0.21 -0.97 1.81 3.43 0.00 0.00 0.00 173.10 177.58 1x5e h ASN 8 N 5.13 1.02 -4.53 1.64 4.21 -1.96 -3.42 115.58 117.67 1x5e h ASN 8 Ca -0.45 -0.13 -0.69 0.00 1.21 0.00 0.00 56.30 56.24 1x5e h ASN 8 Cb 1.14 -0.26 -0.29 0.00 -1.12 0.00 0.00 38.32 37.78 1x5e h ASN 8 CO 0.47 0.86 -0.88 -0.69 -1.29 0.00 0.00 177.43 175.90 1x5e s VAL 9 N -5.73 2.02 0.10 2.81 1.01 -1.26 -4.64 120.40 114.70 1x5e s VAL 9 Ca -0.13 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.67 1x5e s VAL 9 Cb 0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1x5e s VAL 9 CO 0.82 0.52 0.33 -0.13 0.00 0.00 0.00 175.10 176.64 1x5e s ARG 10 N -0.72 3.59 -0.57 2.72 1.81 0.10 -4.92 118.95 120.96 1x5e s ARG 10 Ca 0.10 -0.13 -0.10 0.00 -1.72 0.00 0.00 55.73 53.89 1x5e s ARG 10 Cb -0.10 -2.94 0.15 0.00 -0.45 0.00 0.00 34.95 31.61 1x5e s ARG 10 CO -0.00 0.54 0.45 0.08 -0.68 0.00 0.00 175.30 175.69 1x5e s VAL 11 N -1.54 4.48 0.16 3.52 1.01 -1.26 0.21 120.40 126.99 1x5e s VAL 11 Ca 0.37 -2.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.01 1x5e s VAL 11 Cb -0.13 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 1x5e s VAL 11 CO 0.23 -0.85 0.82 -0.63 0.00 0.00 0.00 175.10 174.67 1x5e s ILE 12 N 0.94 4.36 0.23 2.22 -1.09 -1.24 -4.98 121.20 121.63 1x5e s ILE 12 Ca 0.09 1.80 0.01 0.00 -2.23 0.00 0.00 60.65 60.32 1x5e s ILE 12 Cb -0.23 -4.19 0.01 0.00 -1.58 0.00 0.00 42.46 36.47 1x5e s ILE 12 CO -0.02 0.49 0.06 0.35 -1.23 0.00 0.00 174.94 174.58 1x5e n THR 13 N 1.80 0.00 0.66 2.92 -2.24 -1.26 -4.75 114.28 111.41 1x5e n THR 13 Ca -0.04 -1.01 0.06 0.00 -2.27 0.00 0.00 64.05 60.79 1x5e n THR 13 Cb 0.49 0.04 0.33 0.00 -2.10 0.00 0.00 70.33 69.08 1x5e n THR 13 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x5e n ASP 14 N -1.40 0.00 -0.05 3.42 9.92 -1.26 -1.65 116.55 125.52 1x5e n ASP 14 Ca -0.06 -0.14 -0.12 0.00 -0.53 0.00 0.00 54.79 53.94 1x5e n ASP 14 Cb 0.28 -0.14 -0.04 0.00 -0.64 0.00 0.00 41.12 40.58 1x5e n ASP 14 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1x5e n GLU 15 N -1.14 0.24 0.30 -1.24 4.71 -1.26 -4.60 120.64 117.64 1x5e n GLU 15 Ca 0.07 0.10 0.18 0.00 -0.01 0.00 0.00 57.16 57.51 1x5e n GLU 15 Cb 0.07 -0.90 0.93 0.00 -1.01 0.00 0.00 31.44 30.52 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1x5e h ASN 16 N -0.41 0.00 -0.87 1.62 4.21 -1.92 -3.13 115.58 115.08 1x5e h ASN 16 Ca -0.28 0.00 0.23 0.00 1.21 0.00 0.00 56.30 57.47 1x5e h ASN 16 Cb 1.22 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 38.25 1x5e h ASN 16 CO -0.17 0.03 -0.00 -2.67 -1.29 0.00 0.00 177.43 173.33 1x5e n TRP 17 N -3.26 0.53 -0.30 1.19 4.27 -0.66 0.91 117.44 120.13 1x5e n TRP 17 Ca -0.02 1.05 0.08 0.00 -3.89 0.00 0.00 57.50 54.72 1x5e n TRP 17 Cb 0.18 -1.14 0.19 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 0.05 -1.20 -2.67 3.08 -1.85 0.69 114.38 112.48 1x5e h ARG 18 Ca 0.52 -0.00 0.36 0.00 0.07 0.00 0.00 59.98 60.93 1x5e h ARG 18 Cb 1.05 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.98 1x5e h ARG 18 CO -0.82 0.03 0.77 0.93 -1.07 0.00 0.00 179.97 179.81 1x5e h GLU 19 N 0.05 0.20 -1.00 0.04 4.39 0.27 0.58 114.58 119.12 1x5e h GLU 19 Ca 0.48 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.29 1x5e h GLU 19 Cb 0.87 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.39 1x5e h GLU 19 CO -0.82 0.13 0.63 -0.07 -1.16 0.00 0.00 179.01 177.73 1x5e h LEU 20 N 0.21 0.90 -2.62 1.33 3.38 0.31 0.22 115.31 119.04 1x5e h LEU 20 Ca 0.72 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.74 1x5e h LEU 20 Cb 2.12 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.74 1x5e h LEU 20 CO -0.36 0.47 0.02 -0.07 0.09 0.00 0.00 178.44 178.59 1x5e h LEU 21 N 0.96 0.00 -9.33 1.67 3.38 0.09 -3.40 115.31 108.69 1x5e h LEU 21 Ca 0.50 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.86 1x5e h LEU 21 Cb 0.53 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.17 1x5e h LEU 21 CO -0.27 0.00 -0.49 -1.61 0.09 0.00 0.00 178.44 176.16 1x5e s GLU 22 N -4.47 4.06 0.31 1.13 2.02 0.76 -1.44 118.70 121.08 1x5e s GLU 22 Ca -0.05 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1x5e s GLU 22 Cb 0.14 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1x5e s GLU 22 CO 0.50 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.57 1x5e n GLY 23 N 3.26 -1.75 3.77 -1.39 0.00 -1.26 -4.75 105.19 103.08 1x5e n GLY 23 Ca -0.17 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 1x5e n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5e s ASP 24 N -6.55 7.03 -0.16 1.61 1.01 -1.26 -3.32 116.67 115.04 1x5e s ASP 24 Ca 0.00 2.15 -0.06 0.00 0.71 0.00 0.00 52.55 55.35 1x5e s ASP 24 Cb 0.00 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.40 1x5e s ASP 24 CO 0.00 -0.30 0.34 0.26 0.21 0.00 0.00 175.17 175.68 1x5e s TRP 25 N -1.40 -0.60 -0.41 4.23 0.52 0.44 -3.38 118.94 118.34 1x5e s TRP 25 Ca 0.51 1.24 -0.16 0.00 0.02 0.00 0.00 56.10 57.70 1x5e s TRP 25 Cb -0.27 0.14 0.02 0.00 -1.15 0.00 0.00 33.47 32.21 1x5e s TRP 25 CO 0.34 -0.40 0.38 -1.64 0.02 0.00 0.00 176.95 175.64 1x5e s MET 26 N 2.36 3.08 0.07 4.98 -1.94 0.85 -1.24 119.30 127.46 1x5e s MET 26 Ca -0.02 -0.84 0.03 0.00 -1.71 0.00 0.00 55.69 53.16 1x5e s MET 26 Cb -0.12 -3.96 -0.04 0.00 2.01 0.00 0.00 34.83 32.72 1x5e s MET 26 CO -0.11 -0.79 0.05 0.42 -0.01 0.00 0.00 175.02 174.59 1x5e s ILE 27 N 1.95 4.37 -0.24 2.53 1.01 -0.62 -0.29 121.20 129.91 1x5e s ILE 27 Ca 0.09 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1x5e s ILE 27 Cb -0.18 -3.09 0.11 0.00 0.01 0.00 0.00 42.46 39.32 1x5e s ILE 27 CO 0.12 0.15 0.25 -1.83 0.00 0.00 0.00 174.94 173.63 1x5e s GLU 28 N -2.28 0.25 -0.18 2.79 -1.05 -1.23 -0.12 118.70 116.88 1x5e s GLU 28 Ca 0.27 0.06 -0.29 0.00 -0.15 0.00 0.00 54.97 54.87 1x5e s GLU 28 Cb -0.12 -0.97 -0.02 0.00 -0.44 0.00 0.00 34.13 32.58 1x5e s GLU 28 CO 0.20 -0.80 1.43 -0.06 0.95 0.00 0.00 175.26 176.98 1x5e s PHE 29 N 2.34 2.46 0.37 4.83 0.40 1.00 -3.24 117.98 126.14 1x5e s PHE 29 Ca 0.08 0.70 0.04 0.00 -0.60 0.00 0.00 56.93 57.16 1x5e s PHE 29 Cb -0.15 -3.77 -0.06 0.00 0.51 0.00 0.00 43.02 39.55 1x5e s PHE 29 CO -0.21 -2.45 0.05 1.52 0.70 0.00 0.00 175.22 174.84 1x5e s TYR 30 N 4.16 2.05 -0.05 0.36 -0.85 -1.14 -2.19 117.35 119.69 1x5e s TYR 30 Ca 0.63 -0.95 -0.04 0.00 -0.52 0.00 0.00 57.07 56.19 1x5e s TYR 30 Cb -0.24 -1.40 0.02 0.00 0.38 0.00 0.00 41.96 40.72 1x5e s TYR 30 CO 0.23 0.08 0.12 0.00 -1.52 0.00 0.00 175.55 174.46 1x5e s ALA 31 N -3.12 -0.28 -1.17 9.51 0.00 -1.26 -3.28 121.76 122.15 1x5e s ALA 31 Ca 0.31 0.42 0.15 0.00 0.00 0.00 0.00 51.96 52.84 1x5e s ALA 31 Cb 0.07 -0.26 0.67 0.00 0.00 0.00 0.00 23.12 23.60 1x5e s ALA 31 CO 0.15 -0.08 1.44 -0.35 0.00 0.00 0.00 175.76 176.91 1x5e n PRO 32 N 3.32 0.08 -0.17 0.00 -0.04 -1.26 -2.07 135.00 134.87 1x5e n PRO 32 Ca -0.16 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 1x5e n PRO 32 Cb 0.57 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.41 0.32 -4.23 0.54 4.27 -1.26 -4.99 117.44 110.68 1x5e n TRP 33 Ca 0.05 -0.78 -0.34 0.00 -3.89 0.00 0.00 57.50 52.54 1x5e n TRP 33 Cb 0.15 -0.15 -0.11 0.00 -1.36 0.00 0.00 31.31 29.84 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 6.60 0.00 -0.14 0.00 0.13 -1.94 -3.14 132.00 133.52 1x5e h PRO 35 Ca -0.35 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.63 1x5e h PRO 35 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1x5e h PRO 35 CO 0.66 0.44 -0.51 0.00 -0.23 0.00 0.00 178.00 178.36 1x5e h ALA 36 N 1.56 0.24 -0.36 -0.56 0.00 -1.94 -3.28 119.26 114.92 1x5e h ALA 36 Ca -0.00 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.46 1x5e h ALA 36 Cb 0.83 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1x5e h ALA 36 CO 0.06 0.43 0.05 0.00 0.00 0.00 0.00 179.25 179.79 1x5e h GLN 38 N 0.17 0.00 0.01 0.00 4.20 -1.60 0.62 115.11 118.51 1x5e h GLN 38 Ca 0.18 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.62 1x5e h GLN 38 Cb 0.21 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 1x5e h GLN 38 CO -0.25 0.00 -1.44 -0.91 -0.67 0.00 0.00 178.83 175.56 1x5e h ASN 39 N 0.00 0.03 1.64 1.46 2.35 -1.10 -3.32 115.58 116.64 1x5e h ASN 39 Ca 0.31 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1x5e h ASN 39 Cb 1.53 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.89 1x5e h ASN 39 CO -0.00 1.04 -0.36 0.25 -1.65 0.00 0.00 177.43 176.70 1x5e h LEU 40 N 0.00 0.00 -0.85 1.61 5.85 0.73 -3.35 115.31 119.31 1x5e h LEU 40 Ca -0.18 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.65 1x5e h LEU 40 Cb 1.93 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.83 1x5e h LEU 40 CO 0.10 0.06 -0.47 1.56 -0.34 0.00 0.00 178.44 179.34 1x5e h GLN 41 N 0.00 -0.08 -0.22 1.25 1.08 -0.21 0.42 115.11 117.35 1x5e h GLN 41 Ca -0.01 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1x5e h GLN 41 Cb 1.05 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.49 1x5e h GLN 41 CO 0.01 -0.05 -0.21 -1.00 -0.95 0.00 0.00 178.83 176.62 1x5e h PRO 42 N -0.08 0.54 -0.96 1.46 0.13 -1.80 -2.76 132.00 128.52 1x5e h PRO 42 Ca 0.23 -0.28 0.25 0.00 -0.87 0.00 0.00 66.00 65.32 1x5e h PRO 42 Cb 0.53 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.60 1x5e h PRO 42 CO -0.87 0.87 0.65 0.93 -0.23 0.00 0.00 178.00 179.35 1x5e h GLU 43 N 0.23 0.25 0.08 0.86 4.39 -1.38 -0.17 114.58 118.83 1x5e h GLU 43 Ca 0.04 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1x5e h GLU 43 Cb 0.76 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1x5e h GLU 43 CO 0.05 0.17 -0.04 2.35 -1.16 0.00 0.00 179.01 180.38 1x5e h TRP 44 N 0.26 -0.09 -0.88 4.33 -0.00 -0.89 -3.04 115.95 115.64 1x5e h TRP 44 Ca 0.50 -0.00 0.22 0.00 -0.00 0.00 0.00 58.89 59.60 1x5e h TRP 44 Cb 1.49 0.03 -0.13 0.00 -0.00 0.00 0.00 29.16 30.56 1x5e h TRP 44 CO -0.00 0.23 0.37 0.93 -0.00 0.00 0.00 178.44 179.97 1x5e h GLU 45 N -0.99 0.36 0.00 2.65 5.08 -1.10 0.95 114.58 121.53 1x5e h GLU 45 Ca -0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1x5e h GLU 45 Cb 0.37 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1x5e h GLU 45 CO 0.02 0.24 -0.16 0.77 -1.00 0.00 0.00 179.01 178.88 1x5e h SER 46 N 0.37 0.00 0.03 1.42 0.02 -1.16 -3.17 113.55 111.06 1x5e h SER 46 Ca 0.55 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.50 1x5e h SER 46 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1x5e h SER 46 CO -0.54 0.16 -0.02 0.15 -1.14 0.00 0.00 176.83 175.44 1x5e h PHE 47 N 0.00 -0.04 -0.08 3.45 3.57 0.98 -3.27 116.94 121.55 1x5e h PHE 47 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1x5e h PHE 47 Cb 0.53 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1x5e h PHE 47 CO 0.00 0.37 0.67 0.00 -2.23 0.00 0.00 178.31 177.12 1x5e h ALA 48 N -0.57 1.75 0.69 2.41 0.00 -1.04 0.75 119.26 123.24 1x5e h ALA 48 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1x5e h ALA 48 Cb 0.43 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1x5e h ALA 48 CO 0.01 -0.71 -0.47 0.93 0.00 0.00 0.00 179.25 179.01 1x5e h GLU 49 N 0.00 -1.06 0.00 0.00 5.08 -1.60 -3.18 114.58 113.82 1x5e h GLU 49 Ca 0.04 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1x5e h GLU 49 Cb 1.37 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1x5e h GLU 49 CO -0.00 -0.71 -0.97 0.11 -1.00 0.00 0.00 179.01 176.44 1x5e h TRP 50 N -1.10 0.00 0.00 4.33 5.08 -1.38 -3.41 115.95 119.47 1x5e h TRP 50 Ca -0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.88 1x5e h TRP 50 Cb 0.90 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.06 1x5e h TRP 50 CO -0.14 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.43 1x5e n GLY 51 N 1.19 -2.80 0.45 11.11 0.00 0.12 0.13 105.19 115.41 1x5e n GLY 51 Ca 0.00 0.55 0.27 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.81 1.61 4.11 -1.53 0.29 114.58 118.25 1x5e h GLU 52 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1x5e h GLU 52 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1x5e h GLU 52 CO 0.00 0.00 0.43 0.22 0.07 0.00 0.00 179.01 179.73 1x5e h ASP 53 N 0.00 1.02 -0.24 3.06 3.58 0.86 -1.30 116.42 123.41 1x5e h ASP 53 Ca 0.37 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1x5e h ASP 53 Cb 1.69 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.48 1x5e h ASP 53 CO -0.00 0.83 0.00 0.18 -2.88 0.00 0.00 179.24 177.37 1x5e n LEU 54 N -4.34 2.75 -2.96 2.28 4.77 0.10 -4.88 117.00 114.73 1x5e n LEU 54 Ca 0.08 -1.39 -0.13 0.00 -0.03 0.00 0.00 56.01 54.54 1x5e n LEU 54 Cb 0.11 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 40.73 1x5e n LEU 54 CO 0.39 0.40 0.06 1.21 -1.33 0.00 0.00 177.39 178.11 1x5e n GLU 55 N 0.26 -3.69 -3.71 3.23 4.07 -0.49 -4.92 120.64 115.40 1x5e n GLU 55 Ca 0.11 0.70 -0.11 0.00 -0.06 0.00 0.00 57.16 57.80 1x5e n GLU 55 Cb 0.59 -5.15 -0.11 0.00 -0.06 0.00 0.00 31.44 26.70 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 -3.31 -0.02 0.28 6.31 0.11 -1.16 -4.86 120.40 117.75 1x5e s VAL 56 Ca 0.18 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 59.17 1x5e s VAL 56 Cb -0.02 -0.56 -0.08 0.00 -1.53 0.00 0.00 36.38 34.19 1x5e s VAL 56 CO 0.60 0.04 0.70 0.20 -3.33 0.00 0.00 175.10 173.31 1x5e s ASN 57 N 1.20 6.81 -0.07 3.54 0.01 -1.22 -2.05 114.94 123.16 1x5e s ASN 57 Ca -0.08 1.25 0.02 0.00 -0.71 0.00 0.00 52.86 53.33 1x5e s ASN 57 Cb -0.08 -2.36 0.01 0.00 0.41 0.00 0.00 41.25 39.24 1x5e s ASN 57 CO -0.10 -0.13 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.61 1x5e s ILE 58 N -1.85 1.11 0.28 0.60 1.09 -1.26 -0.11 121.20 121.06 1x5e s ILE 58 Ca 0.50 -0.46 0.02 0.00 -1.10 0.00 0.00 60.65 59.62 1x5e s ILE 58 Cb -0.12 -1.02 -0.04 0.00 -1.06 0.00 0.00 42.46 40.22 1x5e s ILE 58 CO 0.19 0.35 0.14 0.00 -0.10 0.00 0.00 174.94 175.52 1x5e s ALA 59 N 0.72 1.78 -0.03 9.38 0.00 0.60 0.00 121.76 134.21 1x5e s ALA 59 Ca -0.14 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.04 1x5e s ALA 59 Cb -0.16 1.16 0.02 0.00 0.00 0.00 0.00 23.12 24.15 1x5e s ALA 59 CO 0.03 -0.51 -0.02 -1.59 0.00 0.00 0.00 175.76 173.67 1x5e s LYS 60 N -3.92 0.54 0.13 0.00 -2.85 0.13 -3.52 119.74 110.26 1x5e s LYS 60 Ca 0.37 -0.03 0.05 0.00 -1.00 0.00 0.00 55.97 55.36 1x5e s LYS 60 Cb 0.06 -0.63 -0.04 0.00 -2.06 0.00 0.00 37.83 35.17 1x5e s LYS 60 CO 0.16 -0.09 0.06 0.08 0.10 0.00 0.00 175.35 175.66 1x5e s VAL 61 N 0.87 4.18 -0.07 1.79 1.01 -1.20 -3.71 120.40 123.27 1x5e s VAL 61 Ca -0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 1x5e s VAL 61 Cb -0.13 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1x5e s VAL 61 CO -0.01 -0.01 0.01 -0.62 0.00 0.00 0.00 175.10 174.47 1x5e s ASP 62 N -2.74 5.27 0.00 3.32 -1.08 -1.26 -2.88 116.67 117.29 1x5e s ASP 62 Ca 0.28 0.14 0.20 0.00 -0.52 0.00 0.00 52.55 52.65 1x5e s ASP 62 Cb -0.11 -1.48 -0.22 0.00 -1.46 0.00 0.00 42.92 39.66 1x5e s ASP 62 CO 0.21 0.37 0.58 1.33 0.52 0.00 0.00 175.17 178.17 1x5e n VAL 63 N 2.02 0.61 -0.10 1.11 0.24 -1.21 -3.10 118.33 117.91 1x5e n VAL 63 Ca -0.18 -0.61 -0.15 0.00 -2.04 0.00 0.00 64.34 61.36 1x5e n VAL 63 Cb 0.54 -0.30 -0.14 0.00 -1.47 0.00 0.00 33.84 32.47 1x5e n VAL 63 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1x5e n THR 64 N -2.56 1.48 0.06 3.34 5.66 -1.26 -4.36 114.28 116.65 1x5e n THR 64 Ca -0.10 -0.71 -0.12 0.00 -3.05 0.00 0.00 64.05 60.08 1x5e n THR 64 Cb 0.73 -1.05 -0.13 0.00 -1.55 0.00 0.00 70.33 68.33 1x5e n THR 64 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1x5e h GLU 65 N 0.01 0.12 -3.27 1.09 4.39 -1.97 -3.39 114.58 111.56 1x5e h GLU 65 Ca -0.53 -0.21 -0.66 0.00 0.34 0.00 0.00 59.36 58.29 1x5e h GLU 65 Cb 2.06 0.08 -0.39 0.00 -0.10 0.00 0.00 28.75 30.40 1x5e h GLU 65 CO -0.02 1.02 -0.38 -0.65 -1.16 0.00 0.00 179.01 177.82 1x5e s GLN 66 N -2.66 2.71 0.23 2.33 -1.52 -1.18 -4.90 119.66 114.67 1x5e s GLN 66 Ca -0.03 -3.12 0.22 0.00 -1.95 0.00 0.00 55.36 50.48 1x5e s GLN 66 Cb 0.08 -3.65 0.94 0.00 -0.22 0.00 0.00 33.01 30.17 1x5e s GLN 66 CO 0.84 -1.24 1.68 -0.35 -0.25 0.00 0.00 175.29 175.97 1x5e n PRO 67 N 2.45 0.17 0.04 2.91 -0.04 -1.26 -2.82 135.00 136.45 1x5e n PRO 67 Ca 0.17 0.41 -0.22 0.00 -0.04 0.00 0.00 63.50 63.81 1x5e n PRO 67 Cb 0.36 -1.83 -0.14 0.00 -0.04 0.00 0.00 33.50 31.84 1x5e n PRO 67 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1x5e h GLY 68 N 2.23 0.37 1.08 0.55 0.00 -1.93 -3.36 103.07 102.01 1x5e h GLY 68 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 47.33 46.26 1x5e h GLY 68 CO 0.00 0.84 -0.10 1.41 0.00 0.00 0.00 176.54 178.69 1x5e h LEU 69 N -0.07 1.00 -0.73 3.11 3.38 -1.87 -2.33 115.31 117.81 1x5e h LEU 69 Ca -0.33 -0.35 0.16 0.00 0.09 0.00 0.00 57.88 57.45 1x5e h LEU 69 Cb 1.95 -0.27 -0.13 0.00 0.09 0.00 0.00 40.66 42.30 1x5e h LEU 69 CO 0.12 1.12 -0.04 0.28 0.09 0.00 0.00 178.44 180.02 1x5e h SER 70 N 0.87 -0.41 -0.04 -0.43 0.02 -1.68 -1.27 113.55 110.61 1x5e h SER 70 Ca 0.14 0.19 -0.20 0.00 -0.84 0.00 0.00 61.79 61.08 1x5e h SER 70 Cb 0.66 0.36 0.01 0.00 0.14 0.00 0.00 62.40 63.58 1x5e h SER 70 CO 0.05 -0.18 -0.75 1.23 -1.14 0.00 0.00 176.83 176.03 1x5e h GLY 71 N 0.08 0.65 0.56 -3.77 0.00 -1.69 -0.91 103.07 97.99 1x5e h GLY 71 Ca 0.39 -1.06 0.03 0.00 0.00 0.00 0.00 47.33 46.68 1x5e h GLY 71 CO -0.66 0.94 0.69 -0.09 0.00 0.00 0.00 176.54 177.42 1x5e h ARG 72 N 0.20 0.00 0.00 4.80 2.43 -0.66 0.48 114.38 121.63 1x5e h ARG 72 Ca -0.08 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1x5e h ARG 72 Cb 1.42 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1x5e h ARG 72 CO 0.15 0.00 -1.23 1.19 -1.51 0.00 0.00 179.97 178.57 1x5e n PHE 73 N -2.80 0.00 -2.91 2.20 3.01 -1.02 -4.59 117.46 111.35 1x5e n PHE 73 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.36 1x5e n PHE 73 Cb 0.75 -0.12 0.05 0.00 -0.01 0.00 0.00 39.48 40.15 1x5e n PHE 73 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1x5e n ILE 74 N -1.72 -3.06 -1.73 4.37 -0.00 0.17 -4.93 119.36 112.46 1x5e n ILE 74 Ca -0.02 -0.22 -0.42 0.00 -0.00 0.00 0.00 62.75 62.10 1x5e n ILE 74 Cb 0.18 -3.71 -0.03 0.00 -0.00 0.00 0.00 39.64 36.09 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 -3.20 2.66 -0.16 1.39 -1.09 -1.00 -4.90 121.20 114.90 1x5e s ILE 75 Ca 0.09 0.09 -0.07 0.00 -2.23 0.00 0.00 60.65 58.52 1x5e s ILE 75 Cb -0.04 -3.06 -0.23 0.00 -1.58 0.00 0.00 42.46 37.55 1x5e s ILE 75 CO 0.43 -0.00 0.22 0.59 -1.23 0.00 0.00 174.94 174.94 1x5e n ASN 76 N 5.97 2.07 -4.25 3.58 3.02 -1.26 -5.01 115.26 119.38 1x5e n ASN 76 Ca 0.18 0.17 -0.14 0.00 -0.03 0.00 0.00 54.58 54.76 1x5e n ASN 76 Cb 0.39 -0.79 -0.10 0.00 -0.61 0.00 0.00 39.78 38.66 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 -2.53 1.40 0.02 5.41 0.00 -1.26 -5.18 121.76 119.62 1x5e s ALA 77 Ca -0.26 -1.71 -0.06 0.00 0.00 0.00 0.00 51.96 49.93 1x5e s ALA 77 Cb 0.07 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 1x5e s ALA 77 CO 0.71 -0.46 0.10 -0.51 0.00 0.00 0.00 175.76 175.60 1x5e s LEU 78 N -3.21 1.75 1.00 0.00 1.43 -1.26 -4.26 118.68 114.12 1x5e s LEU 78 Ca 0.33 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 1x5e s LEU 78 Cb 0.07 0.56 0.19 0.00 0.03 0.00 0.00 46.19 47.04 1x5e s LEU 78 CO 0.10 -0.40 1.09 -2.16 0.23 0.00 0.00 176.35 175.20 1x5e s PRO 79 N -1.79 0.45 -0.20 1.29 0.04 -1.26 -4.91 135.00 128.62 1x5e s PRO 79 Ca -0.12 0.53 -0.07 0.00 0.04 0.00 0.00 61.00 61.38 1x5e s PRO 79 Cb -0.06 -1.74 0.09 0.00 0.04 0.00 0.00 34.50 32.83 1x5e s PRO 79 CO -0.01 -2.72 0.44 0.99 0.04 0.00 0.00 177.00 175.74 1x5e s THR 80 N -2.96 -0.62 0.13 1.26 2.01 -0.93 -4.96 115.64 109.57 1x5e s THR 80 Ca 0.65 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.77 1x5e s THR 80 Cb -0.19 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 1x5e s THR 80 CO 0.58 0.06 0.34 -0.63 -0.69 0.00 0.00 174.62 174.28 1x5e s ILE 81 N 2.53 5.22 -0.03 1.82 1.01 -1.26 -0.00 121.20 130.48 1x5e s ILE 81 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 1x5e s ILE 81 Cb -0.12 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.75 1x5e s ILE 81 CO -0.13 0.05 0.04 -0.31 0.00 0.00 0.00 174.94 174.58 1x5e s TYR 82 N -1.64 0.07 -0.40 3.97 2.02 0.83 -2.44 117.35 119.76 1x5e s TYR 82 Ca 0.40 0.17 -0.18 0.00 -0.37 0.00 0.00 57.07 57.08 1x5e s TYR 82 Cb -0.12 -0.36 0.01 0.00 -0.40 0.00 0.00 41.96 41.09 1x5e s TYR 82 CO 0.26 -0.14 0.51 -1.58 -1.57 0.00 0.00 175.55 173.03 1x5e s HIS 83 N 1.55 3.15 -0.36 2.71 5.65 -1.03 -1.58 115.29 125.37 1x5e s HIS 83 Ca -0.03 -0.11 -0.12 0.00 0.25 0.00 0.00 55.06 55.05 1x5e s HIS 83 Cb -0.13 -3.01 0.01 0.00 -1.18 0.00 0.00 32.58 28.27 1x5e s HIS 83 CO -0.03 -0.69 0.21 0.00 -0.65 0.00 0.00 174.74 173.59 1x5e s LYS 85 N 1.62 2.31 -1.55 0.00 2.20 -1.03 -0.42 119.74 122.87 1x5e s LYS 85 Ca 0.04 -1.19 -0.18 0.00 -0.36 0.00 0.00 55.97 54.28 1x5e s LYS 85 Cb -0.18 -2.78 0.16 0.00 -1.51 0.00 0.00 37.83 33.52 1x5e s LYS 85 CO 0.08 -0.50 0.60 -0.25 -0.36 0.00 0.00 175.35 174.92 1x5e n ASP 86 N 4.50 -2.61 0.00 1.43 8.00 -1.21 0.15 116.55 126.81 1x5e n ASP 86 Ca -0.15 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1x5e n ASP 86 Cb 0.44 -2.20 0.00 0.00 -0.02 0.00 0.00 41.12 39.34 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 -1.14 3.08 3.20 0.44 0.00 -0.52 -4.91 105.19 105.34 1x5e n GLY 87 Ca 0.07 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.95 -3.68 1.61 1.02 0.12 -4.93 120.64 113.84 1x5e n GLU 88 Ca 0.00 -0.26 -0.09 0.00 -0.02 0.00 0.00 57.16 56.79 1x5e n GLU 88 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.84 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 -2.17 -0.75 -0.11 -0.32 0.08 -1.25 -2.46 117.98 110.99 1x5e s PHE 89 Ca 0.50 1.53 -0.00 0.00 0.12 0.00 0.00 56.93 59.07 1x5e s PHE 89 Cb -0.07 0.36 0.03 0.00 -0.57 0.00 0.00 43.02 42.77 1x5e s PHE 89 CO 0.67 -0.42 -0.07 1.03 -0.10 0.00 0.00 175.22 176.33 1x5e s ARG 90 N 1.71 1.50 0.06 0.44 1.81 -0.84 -0.22 118.95 123.41 1x5e s ARG 90 Ca -0.08 -0.26 -0.30 0.00 -1.72 0.00 0.00 55.73 53.37 1x5e s ARG 90 Cb -0.08 -1.59 -0.09 0.00 -0.45 0.00 0.00 34.95 32.73 1x5e s ARG 90 CO -0.14 -0.28 1.78 0.50 -0.68 0.00 0.00 175.30 176.48 1x5e s ARG 91 N 1.71 4.16 0.08 3.54 3.52 -1.26 -2.48 118.95 128.23 1x5e s ARG 91 Ca 0.05 2.47 -0.31 0.00 -0.13 0.00 0.00 55.73 57.81 1x5e s ARG 91 Cb -0.13 -3.78 -0.08 0.00 -1.56 0.00 0.00 34.95 29.40 1x5e s ARG 91 CO -0.08 -0.84 1.61 -0.47 -0.81 0.00 0.00 175.30 174.72 1x5e s TYR 92 N 3.28 2.57 -0.61 5.12 5.04 -1.02 -4.92 117.35 126.82 1x5e s TYR 92 Ca 0.80 0.42 0.06 0.00 -2.44 0.00 0.00 57.07 55.90 1x5e s TYR 92 Cb -0.42 -3.93 0.22 0.00 0.35 0.00 0.00 41.96 38.18 1x5e s TYR 92 CO 0.35 -3.66 0.60 1.04 -1.34 0.00 0.00 175.55 172.54 1x5e n GLN 93 N 5.29 1.83 -4.01 4.97 6.02 -1.26 -4.78 117.38 125.44 1x5e n GLN 93 Ca 0.15 -4.28 -0.13 0.00 -0.01 0.00 0.00 57.00 52.73 1x5e n GLN 93 Cb 0.40 -2.07 -0.02 0.00 1.02 0.00 0.00 30.24 29.57 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 -1.73 1.22 0.00 1.08 0.00 -1.26 -5.02 107.32 101.61 1x5e s GLY 94 Ca 0.34 -1.33 0.15 0.00 0.00 0.00 0.00 44.72 43.88 1x5e s GLY 94 CO -0.10 -0.81 1.40 -1.55 0.00 0.00 0.00 173.10 172.05 1x5e n PRO 95 N -0.57 0.24 -3.18 2.90 -0.04 -1.26 -4.88 135.00 128.20 1x5e n PRO 95 Ca -0.02 0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1x5e n PRO 95 Cb 0.61 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.26 -5.22 -4.40 0.54 1.74 -1.26 -5.03 116.66 101.77 1x5e n ARG 96 Ca 0.07 0.72 -0.27 0.00 -0.77 0.00 0.00 57.85 57.60 1x5e n ARG 96 Cb 0.11 -5.32 -0.11 0.00 -1.02 0.00 0.00 32.46 26.12 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 -3.31 2.49 0.01 0.55 -4.23 -1.26 -4.97 115.64 104.93 1x5e s THR 97 Ca 0.04 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1x5e s THR 97 Cb -0.00 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 1x5e s THR 97 CO 0.62 -0.09 1.05 0.50 -0.54 0.00 0.00 174.62 176.15 1x5e h LYS 98 N 3.22 -0.02 -0.33 3.99 3.64 -1.96 -2.09 116.57 123.01 1x5e h LYS 98 Ca -0.47 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 1x5e h LYS 98 Cb 1.20 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1x5e h LYS 98 CO 0.48 -0.02 -0.19 1.17 -2.27 0.00 0.00 179.45 178.62 1x5e n LYS 99 N -3.01 -0.14 -0.28 1.90 4.81 -1.26 -0.91 118.16 119.26 1x5e n LYS 99 Ca -0.00 1.00 -0.07 0.00 -0.87 0.00 0.00 58.31 58.36 1x5e n LYS 99 Cb 0.03 -1.48 -0.07 0.00 0.02 0.00 0.00 35.03 33.53 1x5e n LYS 99 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1x5e n ASP 100 N -3.70 -0.72 -0.25 3.14 -0.08 -0.99 -1.04 116.55 112.91 1x5e n ASP 100 Ca 0.01 1.40 -0.06 0.00 -1.51 0.00 0.00 54.79 54.63 1x5e n ASP 100 Cb 0.09 -0.26 -0.06 0.00 2.34 0.00 0.00 41.12 43.23 1x5e n ASP 100 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1x5e n PHE 101 N -4.59 -0.26 -0.16 -0.67 3.72 -0.09 -1.28 117.46 114.13 1x5e n PHE 101 Ca 0.01 0.73 -0.04 0.00 -0.05 0.00 0.00 57.45 58.11 1x5e n PHE 101 Cb 0.18 -0.53 -0.04 0.00 -0.94 0.00 0.00 39.48 38.15 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 -4.35 -0.26 0.26 4.37 -0.00 -0.20 -0.75 119.36 118.43 1x5e n ILE 102 Ca 0.01 1.34 -0.17 0.00 -0.00 0.00 0.00 62.75 63.93 1x5e n ILE 102 Cb 0.15 -1.70 -0.10 0.00 -0.00 0.00 0.00 39.64 38.00 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 -1.38 -1.12 4.38 2.35 -1.11 0.36 115.58 119.07 1x5e h ASN 103 Ca 0.06 0.12 0.32 0.00 -0.55 0.00 0.00 56.30 56.25 1x5e h ASN 103 Cb 0.16 0.46 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 1x5e h ASN 103 CO -0.36 -0.63 1.17 0.33 -1.65 0.00 0.00 177.43 176.30 1x5e n PHE 104 N -5.41 0.00 -0.05 1.19 7.35 0.07 0.11 117.46 120.72 1x5e n PHE 104 Ca -0.11 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.54 1x5e n PHE 104 Cb 0.44 -0.28 -0.01 0.00 0.35 0.00 0.00 39.48 39.98 1x5e n PHE 104 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1x5e n ILE 105 N -3.22 0.99 0.25 -2.13 2.08 -0.36 -2.75 119.36 114.22 1x5e n ILE 105 Ca 0.25 0.29 -0.16 0.00 0.56 0.00 0.00 62.75 63.70 1x5e n ILE 105 Cb 1.51 -2.11 -0.08 0.00 -0.75 0.00 0.00 39.64 38.20 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 -0.69 -0.50 0.92 4.38 0.87 0.76 -2.54 113.55 116.75 1x5e h SER 106 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1x5e h SER 106 Cb 0.42 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1x5e h SER 106 CO 0.00 -0.30 0.00 0.47 -0.53 0.00 0.00 176.83 176.47 1x5e n ASP 107 N -5.31 0.71 -3.66 6.23 9.92 0.31 -4.91 116.55 119.84 1x5e n ASP 107 Ca -0.11 0.64 -0.21 0.00 -0.53 0.00 0.00 54.79 54.58 1x5e n ASP 107 Cb 0.27 -0.81 0.04 0.00 -0.64 0.00 0.00 41.12 39.99 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 -2.25 -5.38 -0.11 -1.24 5.02 -0.90 -4.83 118.16 108.46 1x5e n LYS 108 Ca 0.03 0.67 0.26 0.00 -2.02 0.00 0.00 58.31 57.25 1x5e n LYS 108 Cb 0.28 -5.36 0.72 0.00 -0.02 0.00 0.00 35.03 30.65 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 -1.91 0.00 -1.04 1.97 5.08 -1.68 0.38 114.58 117.37 1x5e h GLU 109 Ca -0.60 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.05 1x5e h GLU 109 Cb 1.36 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.55 1x5e h GLU 109 CO 0.56 0.00 0.73 0.11 -1.00 0.00 0.00 179.01 179.41 1x5e h TRP 110 N 0.00 0.18 -1.00 4.33 5.08 -1.88 0.15 115.95 122.80 1x5e h TRP 110 Ca 0.36 0.01 0.19 0.00 1.08 0.00 0.00 58.89 60.53 1x5e h TRP 110 Cb 1.49 -0.05 -0.10 0.00 -3.00 0.00 0.00 29.16 27.49 1x5e h TRP 110 CO 0.00 0.02 0.61 0.87 -1.28 0.00 0.00 178.44 178.67 1x5e h LYS 111 N 0.11 0.73 -0.81 0.12 1.79 -1.26 0.54 116.57 117.78 1x5e h LYS 111 Ca 0.52 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.90 1x5e h LYS 111 Cb 1.86 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 32.32 1x5e h LYS 111 CO -0.08 0.48 0.06 0.45 -1.08 0.00 0.00 179.45 179.28 1x5e n SER 112 N -4.73 3.57 -4.36 0.86 2.88 0.51 -4.86 113.62 107.50 1x5e n SER 112 Ca 0.23 -2.57 -0.32 0.00 -1.33 0.00 0.00 58.87 54.88 1x5e n SER 112 Cb 0.57 -0.62 -0.15 0.00 -0.75 0.00 0.00 64.21 63.26 1x5e n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1x5e s ILE 113 N -1.94 2.42 -0.11 2.46 1.01 0.19 -5.09 121.20 120.14 1x5e s ILE 113 Ca 0.30 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.70 1x5e s ILE 113 Cb 0.23 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1x5e s ILE 113 CO 0.08 0.58 1.50 -1.61 0.00 0.00 0.00 174.94 175.49 1x5e s GLU 114 N -0.53 4.16 1.00 2.79 2.02 -1.26 -4.97 118.70 121.92 1x5e s GLU 114 Ca 0.07 1.94 -0.12 0.00 0.02 0.00 0.00 54.97 56.88 1x5e s GLU 114 Cb -0.11 -3.91 0.19 0.00 0.10 0.00 0.00 34.13 30.40 1x5e s GLU 114 CO 0.01 -0.84 1.09 -1.25 0.02 0.00 0.00 175.26 174.29 1x5e s PRO 115 N 3.89 0.38 -0.12 0.39 0.04 -1.26 -4.16 135.00 134.17 1x5e s PRO 115 Ca 0.66 0.51 0.03 0.00 0.04 0.00 0.00 61.00 62.23 1x5e s PRO 115 Cb -0.28 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1x5e s PRO 115 CO 0.24 -2.76 -0.20 0.14 0.04 0.00 0.00 177.00 174.46 1x5e s VAL 116 N -2.97 1.86 -0.58 -0.36 -7.23 0.69 -4.93 120.40 106.89 1x5e s VAL 116 Ca 0.65 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.97 1x5e s VAL 116 Cb -0.19 -1.65 0.40 0.00 0.56 0.00 0.00 36.38 35.50 1x5e s VAL 116 CO 0.58 0.51 1.43 -0.24 -0.31 0.00 0.00 175.10 177.07 1x5e n SER 117 N 3.96 5.69 -3.51 4.85 2.88 -1.26 -4.50 113.62 121.73 1x5e n SER 117 Ca -0.20 -3.76 -0.27 0.00 -1.33 0.00 0.00 58.87 53.31 1x5e n SER 117 Cb 0.52 -0.67 -0.09 0.00 -0.75 0.00 0.00 64.21 63.22 1x5e n SER 117 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5e n SER 118 N -0.50 3.07 -4.01 -3.46 2.88 -1.26 -5.04 113.62 105.30 1x5e n SER 118 Ca 0.44 -3.28 -0.30 0.00 -1.33 0.00 0.00 58.87 54.40 1x5e n SER 118 Cb 0.51 -0.68 -0.16 0.00 -0.75 0.00 0.00 64.21 63.13 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1x5e s TRP 119 N -2.03 2.29 -0.57 0.66 -0.11 -1.26 -4.82 118.94 113.11 1x5e s TRP 119 Ca 0.36 -1.41 0.04 0.00 1.22 0.00 0.00 56.10 56.31 1x5e s TRP 119 Cb 0.10 -1.62 0.17 0.00 -1.50 0.00 0.00 33.47 30.62 1x5e s TRP 119 CO -0.06 -0.71 0.41 0.12 -4.62 0.00 0.00 176.95 172.09 1x5e s PHE 120 N 1.44 2.54 -0.18 5.86 5.36 -1.26 -5.05 117.98 126.69 1x5e s PHE 120 Ca 0.02 -2.89 -0.03 0.00 -0.96 0.00 0.00 56.93 53.07 1x5e s PHE 120 Cb -0.14 -2.01 0.06 0.00 -0.34 0.00 0.00 43.02 40.59 1x5e s PHE 120 CO -0.09 -0.67 0.03 0.45 -1.46 0.00 0.00 175.22 173.47 1x5e s SER 121 N -0.72 2.73 0.57 6.13 0.15 -1.26 -4.98 113.70 116.32 1x5e s SER 121 Ca 0.27 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1x5e s SER 121 Cb -0.04 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 1x5e s SER 121 CO -0.16 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1x5e n GLY 122 N 5.06 -3.12 3.75 9.45 0.00 -1.26 -4.80 105.19 114.27 1x5e n GLY 122 Ca -0.09 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.91 4.42 0.88 1.61 0.04 -1.26 -5.02 135.00 131.77 1x5e s PRO 123 Ca 0.00 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 1x5e s PRO 123 Cb 0.00 -3.17 0.12 0.00 0.04 0.00 0.00 34.50 31.49 1x5e s PRO 123 CO 0.00 -0.16 1.10 -1.54 0.04 0.00 0.00 177.00 176.44 1x5e s SER 124 N -0.06 3.67 0.10 6.66 1.04 -1.26 -4.97 113.70 118.87 1x5e s SER 124 Ca 0.53 1.36 -0.18 0.00 0.48 0.00 0.00 55.95 58.14 1x5e s SER 124 Cb -0.36 -2.04 -0.06 0.00 0.10 0.00 0.00 66.02 63.65 1x5e s SER 124 CO 0.42 -2.50 1.57 0.77 0.98 0.00 0.00 173.24 174.48 1x5e h SER 125 N -1.45 0.46 0.00 7.02 4.64 -2.00 -3.55 113.55 118.66 1x5e h SER 125 Ca -0.49 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 1x5e h SER 125 Cb 1.29 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1x5e h SER 125 CO 0.57 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.75