#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5e n ASP 2 N 0.00 4.66 -4.73 0.53 5.75 -1.25 -4.32 116.55 117.19 1s5e n ASP 2 Ca 0.00 -2.71 -0.40 0.00 -0.01 0.00 0.00 54.79 51.67 1s5e n ASP 2 Cb 0.00 -0.64 0.02 0.00 -1.03 0.00 0.00 41.12 39.47 1s5e n ASP 2 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1s5e n ASP 3 N 0.49 2.82 -4.56 -1.12 8.00 -1.26 -4.92 116.55 116.00 1s5e n ASP 3 Ca 0.21 1.07 -0.27 0.00 0.71 0.00 0.00 54.79 56.52 1s5e n ASP 3 Cb 0.98 -1.55 -0.10 0.00 -0.02 0.00 0.00 41.12 40.43 1s5e n ASP 3 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1s5e s LYS 4 N -2.47 2.02 0.38 -1.24 -0.14 -1.26 -2.74 119.74 114.30 1s5e s LYS 4 Ca 0.64 -1.27 0.08 0.00 -1.36 0.00 0.00 55.97 54.06 1s5e s LYS 4 Cb -0.46 -2.14 -0.06 0.00 -1.68 0.00 0.00 37.83 33.48 1s5e s LYS 4 CO 0.55 0.44 0.04 -0.51 -0.76 0.00 0.00 175.35 175.11 1s5e s LEU 5 N -2.77 2.95 -0.01 3.17 1.43 0.12 -4.75 118.68 118.82 1s5e s LEU 5 Ca 0.24 -1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 1s5e s LEU 5 Cb -0.09 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.96 1s5e s LEU 5 CO 0.15 -0.38 0.03 -0.31 0.23 0.00 0.00 176.35 176.07 1s5e s TYR 6 N -2.61 -0.03 -0.09 0.29 1.51 -0.20 -0.42 117.35 115.81 1s5e s TYR 6 Ca 0.36 0.09 -0.04 0.00 -1.01 0.00 0.00 57.07 56.48 1s5e s TYR 6 Cb 0.05 -0.03 0.05 0.00 -0.11 0.00 0.00 41.96 41.92 1s5e s TYR 6 CO 0.19 -0.03 0.18 0.50 -1.11 0.00 0.00 175.55 175.28 1s5e s ARG 7 N 0.19 0.09 0.13 -0.62 3.52 -0.56 -0.12 118.95 121.57 1s5e s ARG 7 Ca -0.01 0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 55.81 1s5e s ARG 7 Cb -0.02 -0.19 -0.06 0.00 -1.56 0.00 0.00 34.95 33.11 1s5e s ARG 7 CO -0.01 -0.24 1.01 0.00 -0.81 0.00 0.00 175.30 175.25 1s5e s ALA 8 N 1.85 3.28 -0.16 6.12 0.00 -1.26 -0.30 121.76 131.30 1s5e s ALA 8 Ca -0.02 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1s5e s ALA 8 Cb -0.12 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1s5e s ALA 8 CO -0.06 -0.09 0.41 0.34 0.00 0.00 0.00 175.76 176.35 1s5e s ASP 9 N -0.00 -0.44 0.17 0.00 -1.08 0.14 -4.66 116.67 110.80 1s5e s ASP 9 Ca 0.48 0.83 0.26 0.00 -0.52 0.00 0.00 52.55 53.60 1s5e s ASP 9 Cb -0.25 0.82 0.91 0.00 -1.46 0.00 0.00 42.92 42.94 1s5e s ASP 9 CO 0.31 -0.15 1.79 -1.54 0.52 0.00 0.00 175.17 176.11 1s5e n SER 10 N 3.08 0.62 -4.70 -0.34 3.41 -1.26 -1.41 113.62 113.02 1s5e n SER 10 Ca -0.15 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.61 1s5e n SER 10 Cb 0.57 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 1s5e n SER 10 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1s5e s ARG 11 N -3.10 4.41 0.71 4.33 0.52 -1.26 -4.82 118.95 119.73 1s5e s ARG 11 Ca 0.11 1.66 -0.11 0.00 -0.52 0.00 0.00 55.73 56.87 1s5e s ARG 11 Cb 0.13 -3.47 0.01 0.00 0.52 0.00 0.00 34.95 32.14 1s5e s ARG 11 CO 0.56 -0.33 1.07 -1.25 0.02 0.00 0.00 175.30 175.37 1s5e s PRO 12 N 1.66 2.87 0.30 3.54 0.04 -1.26 -4.81 135.00 137.33 1s5e s PRO 12 Ca 0.56 0.67 0.06 0.00 0.04 0.00 0.00 61.00 62.33 1s5e s PRO 12 Cb -0.26 -2.00 0.74 0.00 0.04 0.00 0.00 34.50 33.02 1s5e s PRO 12 CO 0.25 -1.08 1.77 -1.35 0.04 0.00 0.00 177.00 176.63 1s5e h PRO 13 N -0.69 0.72 -0.21 0.56 0.11 -1.98 -1.41 132.00 129.10 1s5e h PRO 13 Ca -0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1s5e h PRO 13 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1s5e h PRO 13 CO 0.61 0.48 -0.22 -0.44 -0.21 0.00 0.00 178.00 178.22 1s5e h ASP 14 N 0.74 0.37 -0.20 -2.05 5.19 -2.00 -0.01 116.42 118.46 1s5e h ASP 14 Ca 0.58 -0.11 -0.15 0.00 -0.62 0.00 0.00 57.03 56.73 1s5e h ASP 14 Cb 0.91 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1s5e h ASP 14 CO -0.39 0.60 -0.45 -0.08 -3.12 0.00 0.00 179.24 175.80 1s5e h GLU 15 N 0.34 0.66 -0.56 3.56 4.81 -1.70 -2.51 114.58 119.18 1s5e h GLU 15 Ca 0.06 -0.44 0.04 0.00 -0.13 0.00 0.00 59.36 58.88 1s5e h GLU 15 Cb 0.58 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1s5e h GLU 15 CO 0.04 1.06 0.32 0.82 -0.73 0.00 0.00 179.01 180.52 1s5e h ILE 16 N 0.35 1.01 -0.37 2.32 5.03 -1.01 -0.58 117.51 124.26 1s5e h ILE 16 Ca 0.00 -0.21 0.02 0.00 -0.12 0.00 0.00 64.86 64.55 1s5e h ILE 16 Cb 1.06 0.34 -0.03 0.00 -3.03 0.00 0.00 36.82 35.16 1s5e h ILE 16 CO 0.10 0.11 0.20 0.50 -0.68 0.00 0.00 178.15 178.38 1s5e h LYS 17 N 0.62 0.40 -0.75 2.37 1.63 -1.00 -0.55 116.57 119.28 1s5e h LYS 17 Ca 0.24 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1s5e h LYS 17 Cb 0.08 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 1s5e h LYS 17 CO -0.13 0.26 0.38 0.37 -3.45 0.00 0.00 179.45 176.88 1s5e h GLN 18 N 0.41 1.07 -0.00 1.90 5.75 -1.18 -2.30 115.11 120.76 1s5e h GLN 18 Ca 0.15 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1s5e h GLN 18 Cb 0.04 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.39 1s5e h GLN 18 CO -0.09 0.81 -0.12 0.43 -2.65 0.00 0.00 178.83 177.21 1s5e n SER 19 N -4.33 0.14 0.00 -0.69 7.64 -0.25 -4.91 113.62 111.22 1s5e n SER 19 Ca 0.07 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1s5e n SER 19 Cb 0.13 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1s5e n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s5e n GLY 20 N 1.47 0.51 0.00 0.23 0.00 -0.55 -0.99 105.19 105.86 1s5e n GLY 20 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1s5e n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5e n GLY 21 N -2.97 0.47 3.55 -0.02 0.00 -0.32 -0.83 105.19 105.07 1s5e n GLY 21 Ca 0.00 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1s5e n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s5e s LEU 22 N 0.00 4.22 0.06 0.99 1.43 0.54 -4.56 118.68 121.35 1s5e s LEU 22 Ca 0.00 -0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1s5e s LEU 22 Cb 0.00 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 1s5e s LEU 22 CO 0.00 -0.89 0.27 -0.04 0.23 0.00 0.00 176.35 175.92 1s5e s MET 23 N 3.29 3.54 0.76 1.70 -1.94 -1.26 -1.19 119.30 124.19 1s5e s MET 23 Ca 0.30 -0.21 -0.12 0.00 -1.71 0.00 0.00 55.69 53.95 1s5e s MET 23 Cb -0.12 -3.00 0.06 0.00 2.01 0.00 0.00 34.83 33.77 1s5e s MET 23 CO 0.22 0.59 1.13 -2.14 -0.01 0.00 0.00 175.02 174.80 1s5e s PRO 24 N -2.25 2.14 0.22 2.03 0.02 -1.26 -4.93 135.00 130.96 1s5e s PRO 24 Ca 0.34 1.40 -0.32 0.00 0.02 0.00 0.00 61.00 62.44 1s5e s PRO 24 Cb -0.13 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.38 1s5e s PRO 24 CO 0.22 -1.76 1.31 -2.13 -0.33 0.00 0.00 177.00 174.30 1s5e n ARG 25 N -3.24 1.71 -0.04 5.54 0.63 0.67 -2.07 116.66 119.86 1s5e n ARG 25 Ca 0.11 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 1s5e n ARG 25 Cb 0.52 -2.20 0.00 0.00 0.45 0.00 0.00 32.46 31.23 1s5e n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s5e n GLY 26 N 2.05 2.30 3.53 5.14 0.00 -1.26 -4.83 105.19 112.12 1s5e n GLY 26 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1s5e n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s5e s GLN 27 N -0.21 3.43 0.09 1.61 2.00 -0.88 -4.94 119.66 120.76 1s5e s GLN 27 Ca 0.00 -0.46 -0.00 0.00 -2.00 0.00 0.00 55.36 52.90 1s5e s GLN 27 Cb 0.00 -3.86 -0.26 0.00 0.80 0.00 0.00 33.01 29.69 1s5e s GLN 27 CO 0.00 -0.67 1.18 0.66 -0.50 0.00 0.00 175.29 175.96 1s5e h SER 28 N 8.56 0.28 -4.53 6.67 4.64 -1.94 -3.44 113.55 123.79 1s5e h SER 28 Ca -0.28 -0.30 -0.18 0.00 -0.47 0.00 0.00 61.79 60.56 1s5e h SER 28 Cb 1.13 -0.09 -0.23 0.00 -0.31 0.00 0.00 62.40 62.89 1s5e h SER 28 CO 0.75 1.24 -0.63 -1.61 -0.87 0.00 0.00 176.83 175.70 1s5e s GLU 29 N -2.67 0.26 0.20 4.77 2.02 -1.26 -4.62 118.70 117.40 1s5e s GLU 29 Ca -0.02 -0.31 -0.10 0.00 0.02 0.00 0.00 54.97 54.55 1s5e s GLU 29 Cb 0.08 0.10 0.19 0.00 0.10 0.00 0.00 34.13 34.61 1s5e s GLU 29 CO 0.86 -0.05 1.82 -0.92 0.02 0.00 0.00 175.26 176.99 1s5e h TYR 30 N 5.08 0.69 -0.30 1.61 3.20 -1.33 -2.46 116.97 123.46 1s5e h TYR 30 Ca -0.29 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.60 1s5e h TYR 30 Cb 1.20 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1s5e h TYR 30 CO 0.55 0.36 0.00 1.19 -1.64 0.00 0.00 178.16 178.62 1s5e n PHE 31 N -4.76 0.51 -2.05 -3.82 3.72 -1.26 -4.85 117.46 104.95 1s5e n PHE 31 Ca 0.07 -0.23 -0.38 0.00 -0.05 0.00 0.00 57.45 56.87 1s5e n PHE 31 Cb 0.13 -0.05 0.01 0.00 -0.94 0.00 0.00 39.48 38.63 1s5e n PHE 31 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1s5e s ASP 32 N -0.88 5.76 0.64 4.37 1.01 -0.93 -4.98 116.67 121.66 1s5e s ASP 32 Ca 0.22 2.50 -0.18 0.00 0.71 0.00 0.00 52.55 55.80 1s5e s ASP 32 Cb 0.12 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1s5e s ASP 32 CO 0.13 -1.21 1.26 -0.60 0.21 0.00 0.00 175.17 174.96 1s5e s ARG 33 N -2.80 2.61 0.00 8.23 6.06 -1.26 -4.87 118.95 126.91 1s5e s ARG 33 Ca 0.67 1.98 0.11 0.00 -2.50 0.00 0.00 55.73 55.98 1s5e s ARG 33 Cb -0.34 -1.86 0.46 0.00 0.06 0.00 0.00 34.95 33.27 1s5e s ARG 33 CO 0.40 -1.53 1.34 0.41 -2.50 0.00 0.00 175.30 173.42 1s5e n GLY 34 N 0.75 -0.85 0.00 8.12 0.00 -1.26 -1.97 105.19 109.98 1s5e n GLY 34 Ca 0.15 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1s5e n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s5e n THR 35 N -1.49 1.14 1.26 2.61 -2.24 -1.26 -2.05 114.28 112.25 1s5e n THR 35 Ca 0.03 0.29 0.14 0.00 -2.27 0.00 0.00 64.05 62.23 1s5e n THR 35 Cb 0.12 -1.09 0.63 0.00 -2.10 0.00 0.00 70.33 67.90 1s5e n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s5e n GLN 36 N -1.47 0.33 -4.21 -0.78 1.13 -0.83 -4.81 117.38 106.74 1s5e n GLN 36 Ca 0.03 -0.06 -0.18 0.00 -1.94 0.00 0.00 57.00 54.85 1s5e n GLN 36 Cb 0.13 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 28.86 1s5e n GLN 36 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1s5e s MET 37 N -2.71 0.93 -0.26 -1.09 -1.94 -0.87 -4.80 119.30 108.56 1s5e s MET 37 Ca 0.23 -1.11 -0.29 0.00 -1.71 0.00 0.00 55.69 52.81 1s5e s MET 37 Cb 0.20 -0.87 0.00 0.00 2.01 0.00 0.00 34.83 36.17 1s5e s MET 37 CO 0.51 0.18 1.19 1.21 -0.01 0.00 0.00 175.02 178.10 1s5e s ASN 38 N -2.12 6.88 -0.39 3.03 2.47 -1.26 -4.99 114.94 118.56 1s5e s ASN 38 Ca 0.04 1.33 -0.11 0.00 0.42 0.00 0.00 52.86 54.54 1s5e s ASN 38 Cb -0.07 -2.54 0.04 0.00 -1.45 0.00 0.00 41.25 37.23 1s5e s ASN 38 CO 0.02 -0.88 0.23 -0.63 -3.72 0.00 0.00 177.10 172.13 1s5e s ILE 39 N 3.76 4.57 -0.27 -5.21 1.01 -1.26 -2.11 121.20 121.70 1s5e s ILE 39 Ca 0.51 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1s5e s ILE 39 Cb -0.17 -3.61 0.16 0.00 0.01 0.00 0.00 42.46 38.85 1s5e s ILE 39 CO 0.16 -0.31 0.45 0.21 0.00 0.00 0.00 174.94 175.46 1s5e s ASN 40 N 1.71 -0.30 0.10 3.58 3.84 -0.49 -4.48 114.94 118.90 1s5e s ASN 40 Ca 0.02 0.37 -0.20 0.00 0.21 0.00 0.00 52.86 53.26 1s5e s ASN 40 Cb -0.20 1.46 -0.09 0.00 -0.55 0.00 0.00 41.25 41.87 1s5e s ASN 40 CO 0.06 -0.29 1.66 0.25 -2.79 0.00 0.00 177.10 175.99 1s5e h LEU 41 N 8.12 0.24 -0.74 3.21 5.85 -1.69 0.33 115.31 130.62 1s5e h LEU 41 Ca -0.19 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.48 1s5e h LEU 41 Cb 1.15 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 1s5e h LEU 41 CO 0.26 0.29 0.41 0.22 -0.34 0.00 0.00 178.44 179.29 1s5e h TYR 42 N 0.16 0.75 -0.25 1.25 3.20 -1.29 0.14 116.97 120.93 1s5e h TYR 42 Ca 0.06 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 1s5e h TYR 42 Cb 0.12 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 1s5e h TYR 42 CO -0.03 0.33 -0.22 -0.44 -1.64 0.00 0.00 178.16 176.16 1s5e h ASP 43 N 0.73 0.63 -0.26 -2.11 3.32 -1.79 -2.30 116.42 114.63 1s5e h ASP 43 Ca 0.34 -0.46 0.06 0.00 0.02 0.00 0.00 57.03 56.99 1s5e h ASP 43 Cb 0.27 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.58 1s5e h ASP 43 CO -0.22 0.96 -0.18 -0.74 -1.72 0.00 0.00 179.24 177.35 1s5e h HIS 44 N 0.31 -0.45 -0.06 4.55 -0.00 -0.41 -1.89 115.15 117.21 1s5e h HIS 44 Ca 0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.41 1s5e h HIS 44 Cb 0.77 0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 1s5e h HIS 44 CO 0.07 -0.25 -0.13 0.00 -0.00 0.00 0.00 177.93 177.63 1s5e h ALA 45 N 1.00 1.68 -0.00 5.26 0.00 -0.59 -2.05 119.26 124.55 1s5e h ALA 45 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s5e h ALA 45 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1s5e h ALA 45 CO -0.36 0.24 -0.22 0.54 0.00 0.00 0.00 179.25 179.45 1s5e n ARG 46 N -4.34 0.61 -1.40 0.00 1.74 -0.88 -4.75 116.66 107.64 1s5e n ARG 46 Ca -0.02 -0.29 -0.35 0.00 -0.77 0.00 0.00 57.85 56.42 1s5e n ARG 46 Cb 0.23 -1.49 0.10 0.00 -1.02 0.00 0.00 32.46 30.27 1s5e n ARG 46 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1s5e s GLY 47 N -2.59 2.48 0.48 -0.13 0.00 -0.76 -4.97 107.32 101.82 1s5e s GLY 47 Ca 0.23 1.01 -0.18 0.00 0.00 0.00 0.00 44.72 45.79 1s5e s GLY 47 CO 0.53 1.44 0.96 -0.51 0.00 0.00 0.00 173.10 175.52 1s5e s THR 48 N -1.81 4.50 -0.50 0.90 -4.23 -1.26 -5.02 115.64 108.23 1s5e s THR 48 Ca 0.77 1.27 -0.01 0.00 -1.18 0.00 0.00 61.69 62.55 1s5e s THR 48 Cb -0.33 -3.68 0.13 0.00 1.34 0.00 0.00 72.50 69.96 1s5e s THR 48 CO 0.46 -0.57 0.28 -1.10 -0.54 0.00 0.00 174.62 173.15 1s5e s GLN 49 N -3.79 2.13 -0.47 3.99 -0.21 -1.26 -4.83 119.66 115.22 1s5e s GLN 49 Ca 0.59 -2.26 0.05 0.00 0.02 0.00 0.00 55.36 53.76 1s5e s GLN 49 Cb -0.10 -3.53 0.18 0.00 1.00 0.00 0.00 33.01 30.56 1s5e s GLN 49 CO 0.26 -1.10 0.39 -2.37 -2.12 0.00 0.00 175.29 170.35 1s5e n THR 50 N 3.84 -0.53 0.00 -0.19 5.66 -1.26 -4.76 114.28 117.03 1s5e n THR 50 Ca 0.04 -3.79 0.00 0.00 -3.05 0.00 0.00 64.05 57.24 1s5e n THR 50 Cb 0.38 -1.79 0.00 0.00 -1.55 0.00 0.00 70.33 67.37 1s5e n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1s5e n GLY 51 N 2.51 0.39 3.21 1.09 0.00 -1.26 -5.06 105.19 106.08 1s5e n GLY 51 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 1s5e n GLY 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s5e s PHE 52 N -2.00 -0.41 0.28 1.61 -0.12 -1.26 -4.86 117.98 111.21 1s5e s PHE 52 Ca 0.00 0.97 -0.29 0.00 -0.05 0.00 0.00 56.93 57.55 1s5e s PHE 52 Cb 0.00 0.14 -0.10 0.00 -0.63 0.00 0.00 43.02 42.44 1s5e s PHE 52 CO 0.00 -0.22 1.29 0.08 -0.05 0.00 0.00 175.22 176.32 1s5e s VAL 53 N 0.63 2.95 -0.44 -2.49 1.01 -1.26 -4.60 120.40 116.21 1s5e s VAL 53 Ca -0.04 0.88 -0.44 0.00 0.00 0.00 0.00 61.98 62.39 1s5e s VAL 53 Cb -0.05 -3.56 -0.19 0.00 0.00 0.00 0.00 36.38 32.58 1s5e s VAL 53 CO -0.04 0.18 1.47 0.54 0.00 0.00 0.00 175.10 177.25 1s5e n ARG 54 N 1.54 0.00 -1.06 2.72 1.74 -1.26 -4.82 116.66 115.53 1s5e n ARG 54 Ca 0.02 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1s5e n ARG 54 Cb 0.42 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 1s5e n ARG 54 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1s5e n HIS 55 N 3.59 0.00 -3.44 -1.55 1.44 -1.26 -1.66 115.22 112.34 1s5e n HIS 55 Ca 0.28 -0.36 -0.20 0.00 -2.01 0.00 0.00 57.72 55.43 1s5e n HIS 55 Cb -0.05 0.14 -0.00 0.00 0.12 0.00 0.00 29.99 30.20 1s5e n HIS 55 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1s5e s ASP 56 N -1.26 6.02 -1.44 4.39 1.01 -1.25 -0.24 116.67 123.90 1s5e s ASP 56 Ca 0.13 -0.00 -0.11 0.00 0.71 0.00 0.00 52.55 53.28 1s5e s ASP 56 Cb 0.15 -1.45 0.04 0.00 1.01 0.00 0.00 42.92 42.67 1s5e s ASP 56 CO -0.07 -0.42 1.06 0.47 0.21 0.00 0.00 175.17 176.42 1s5e n ASP 57 N -1.71 -5.70 0.00 0.27 8.00 -1.26 -3.39 116.55 112.77 1s5e n ASP 57 Ca -0.02 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.87 1s5e n ASP 57 Cb 0.58 -4.52 0.00 0.00 -0.02 0.00 0.00 41.12 37.16 1s5e n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s5e n GLY 58 N -1.84 0.73 3.21 0.44 0.00 -0.90 -1.40 105.19 105.44 1s5e n GLY 58 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1s5e n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s5e s TYR 59 N -2.34 1.23 -0.15 1.61 1.51 -1.22 -0.35 117.35 117.64 1s5e s TYR 59 Ca 0.00 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 1s5e s TYR 59 Cb 0.00 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.21 1s5e s TYR 59 CO 0.00 0.07 -0.19 0.08 -1.11 0.00 0.00 175.55 174.40 1s5e s VAL 60 N -2.38 1.92 0.33 0.71 1.01 -0.57 -3.78 120.40 117.63 1s5e s VAL 60 Ca 0.08 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1s5e s VAL 60 Cb -0.03 -1.72 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 1s5e s VAL 60 CO 0.01 0.52 0.88 -0.55 0.00 0.00 0.00 175.10 175.96 1s5e s SER 61 N 1.08 7.11 0.17 3.32 0.15 -0.66 -0.89 113.70 123.97 1s5e s SER 61 Ca -0.02 1.65 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1s5e s SER 61 Cb -0.14 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1s5e s SER 61 CO -0.07 -0.14 0.05 0.42 1.20 0.00 0.00 173.24 174.70 1s5e s THR 62 N -1.79 0.37 0.25 6.45 -4.23 0.20 -4.84 115.64 112.05 1s5e s THR 62 Ca 0.52 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 59.16 1s5e s THR 62 Cb -0.15 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1s5e s THR 62 CO 0.20 -0.37 0.09 -0.44 -0.54 0.00 0.00 174.62 173.56 1s5e s SER 63 N -3.14 5.03 0.00 3.99 0.01 0.83 -1.86 113.70 118.56 1s5e s SER 63 Ca 0.27 -0.43 0.28 0.00 1.31 0.00 0.00 55.95 57.39 1s5e s SER 63 Cb 0.07 -1.13 1.08 0.00 0.21 0.00 0.00 66.02 66.25 1s5e s SER 63 CO 0.05 -0.00 1.76 2.30 0.41 0.00 0.00 173.24 177.76 1s5e n ILE 64 N -0.91 0.00 -3.79 1.44 -5.35 -1.26 -1.03 119.36 108.46 1s5e n ILE 64 Ca -0.07 -0.19 -0.11 0.00 -0.27 0.00 0.00 62.75 62.11 1s5e n ILE 64 Cb 0.58 0.34 -0.08 0.00 -1.74 0.00 0.00 39.64 38.74 1s5e n ILE 64 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1s5e s SER 65 N -2.15 -0.05 0.19 7.28 1.04 -1.26 -4.85 113.70 113.90 1s5e s SER 65 Ca 0.35 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.36 1s5e s SER 65 Cb 0.21 0.33 0.10 0.00 0.10 0.00 0.00 66.02 66.76 1s5e s SER 65 CO 0.39 -0.61 1.84 0.25 0.98 0.00 0.00 173.24 176.09 1s5e h LEU 66 N 3.25 0.74 -0.32 2.42 5.85 -1.94 -2.00 115.31 123.31 1s5e h LEU 66 Ca -0.32 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.41 1s5e h LEU 66 Cb 1.20 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1s5e h LEU 66 CO 0.48 0.56 0.03 -0.09 -0.34 0.00 0.00 178.44 179.08 1s5e h ARG 67 N 0.85 0.13 -0.30 1.25 2.43 -1.99 0.58 114.38 117.32 1s5e h ARG 67 Ca 0.23 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1s5e h ARG 67 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1s5e h ARG 67 CO -0.05 0.08 0.18 0.77 -1.51 0.00 0.00 179.97 179.45 1s5e h SER 68 N 0.13 0.37 -0.62 -3.80 0.02 -1.93 -1.64 113.55 106.09 1s5e h SER 68 Ca 0.15 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1s5e h SER 68 Cb 0.19 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1s5e h SER 68 CO -0.23 0.32 0.27 0.00 -1.14 0.00 0.00 176.83 176.05 1s5e h ALA 69 N 1.06 1.26 -0.33 3.77 0.00 -0.92 -0.99 119.26 123.11 1s5e h ALA 69 Ca 0.11 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1s5e h ALA 69 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1s5e h ALA 69 CO -0.02 0.55 -0.19 1.25 0.00 0.00 0.00 179.25 180.85 1s5e h HIS 70 N 0.93 0.82 -0.66 0.00 6.17 -0.72 0.73 115.15 122.41 1s5e h HIS 70 Ca 0.22 -0.21 -0.00 0.00 0.71 0.00 0.00 60.37 61.08 1s5e h HIS 70 Cb 0.16 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 29.87 1s5e h HIS 70 CO 0.01 0.93 0.39 -0.07 0.71 0.00 0.00 177.93 179.91 1s5e h LEU 71 N 0.47 0.80 -0.07 0.26 3.38 -0.81 0.06 115.31 119.40 1s5e h LEU 71 Ca 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s5e h LEU 71 Cb 0.73 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1s5e h LEU 71 CO 0.05 0.63 0.02 0.58 0.09 0.00 0.00 178.44 179.81 1s5e h VAL 72 N 0.90 1.16 -0.71 1.22 2.07 -0.99 -2.46 116.25 117.44 1s5e h VAL 72 Ca 0.24 -0.48 0.14 0.00 0.82 0.00 0.00 66.70 67.41 1s5e h VAL 72 Cb -0.02 1.36 -0.10 0.00 -1.52 0.00 0.00 31.29 31.02 1s5e h VAL 72 CO -0.04 0.14 0.23 1.23 0.02 0.00 0.00 177.57 179.14 1s5e h GLY 73 N -0.08 1.03 1.60 2.17 0.00 -0.47 0.16 103.07 107.48 1s5e h GLY 73 Ca 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1s5e h GLY 73 CO -0.00 -0.13 0.09 1.46 0.00 0.00 0.00 176.54 177.96 1s5e h GLN 74 N 0.35 0.52 0.14 4.80 4.20 -0.75 0.23 115.11 124.61 1s5e h GLN 74 Ca 0.39 -0.08 -0.28 0.00 0.06 0.00 0.00 58.65 58.74 1s5e h GLN 74 Cb 0.61 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.31 1s5e h GLN 74 CO -0.43 0.48 -1.28 1.79 -0.67 0.00 0.00 178.83 178.72 1s5e h THR 75 N 0.51 1.47 0.01 -0.54 1.35 -0.71 -3.32 112.91 111.69 1s5e h THR 75 Ca 0.12 -3.03 -0.38 0.00 -0.55 0.00 0.00 66.41 62.58 1s5e h THR 75 Cb 0.19 2.95 -0.06 0.00 -1.73 0.00 0.00 68.15 69.49 1s5e h THR 75 CO -0.00 0.88 -2.39 -0.38 -0.25 0.00 0.00 175.52 173.38 1s5e n ILE 76 N -3.54 1.49 -1.03 6.82 2.08 -0.09 -4.56 119.36 120.52 1s5e n ILE 76 Ca -0.09 -0.66 0.07 0.00 0.56 0.00 0.00 62.75 62.63 1s5e n ILE 76 Cb 1.03 -1.18 0.26 0.00 -0.75 0.00 0.00 39.64 39.00 1s5e n ILE 76 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1s5e n LEU 77 N -3.14 3.96 -4.77 1.39 4.77 0.81 -4.05 117.00 115.98 1s5e n LEU 77 Ca -0.40 -3.08 -0.39 0.00 -0.03 0.00 0.00 56.01 52.10 1s5e n LEU 77 Cb 1.04 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1s5e n LEU 77 CO 0.33 0.72 0.89 -0.94 -1.33 0.00 0.00 177.39 177.06 1s5e s SER 78 N -1.96 6.65 0.00 -1.43 1.04 -1.24 -2.01 113.70 114.75 1s5e s SER 78 Ca 0.43 2.49 0.00 0.00 0.48 0.00 0.00 55.95 59.34 1s5e s SER 78 Cb 0.35 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1s5e s SER 78 CO 0.08 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1s5e n GLY 79 N 0.76 2.87 3.53 7.32 0.00 -1.26 -5.02 105.19 113.40 1s5e n GLY 79 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1s5e n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s5e s HIS 80 N -2.58 3.20 0.21 1.61 4.02 -0.85 -4.94 115.29 115.97 1s5e s HIS 80 Ca 0.00 -0.09 0.32 0.00 1.02 0.00 0.00 55.06 56.31 1s5e s HIS 80 Cb 0.00 -2.71 1.39 0.00 -1.02 0.00 0.00 32.58 30.24 1s5e s HIS 80 CO 0.00 -0.48 2.00 0.66 1.02 0.00 0.00 174.74 177.94 1s5e h SER 81 N 8.51 0.00 -3.40 1.40 4.64 -1.92 -3.40 113.55 119.38 1s5e h SER 81 Ca -0.29 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.62 1s5e h SER 81 Cb 1.14 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.88 1s5e h SER 81 CO 0.71 0.07 -0.77 -0.89 -0.87 0.00 0.00 176.83 175.08 1s5e s THR 82 N -3.79 0.46 0.26 2.95 2.01 -1.26 -0.53 115.64 115.74 1s5e s THR 82 Ca -0.00 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1s5e s THR 82 Cb 0.10 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 1s5e s THR 82 CO 0.56 0.23 0.28 0.00 -0.69 0.00 0.00 174.62 175.00 1s5e n TYR 83 N 4.40 -0.87 -4.20 4.92 0.18 -0.71 -4.90 117.16 115.97 1s5e n TYR 83 Ca -0.20 -1.97 -0.17 0.00 1.88 0.00 0.00 57.90 57.44 1s5e n TYR 83 Cb 0.50 0.31 -0.11 0.00 -0.38 0.00 0.00 39.34 39.66 1s5e n TYR 83 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1s5e s TYR 84 N -3.19 1.27 -0.29 -3.48 1.51 -0.50 -0.25 117.35 112.42 1s5e s TYR 84 Ca 0.27 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1s5e s TYR 84 Cb 0.00 -0.69 0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1s5e s TYR 84 CO 0.19 0.09 0.00 0.42 -1.11 0.00 0.00 175.55 175.14 1s5e s ILE 85 N -1.91 3.08 0.12 2.71 1.01 -0.19 -0.68 121.20 125.35 1s5e s ILE 85 Ca 0.04 -1.27 -0.29 0.00 0.00 0.00 0.00 60.65 59.13 1s5e s ILE 85 Cb -0.06 -2.73 -0.06 0.00 0.01 0.00 0.00 42.46 39.62 1s5e s ILE 85 CO 0.02 -0.06 0.92 -0.31 0.00 0.00 0.00 174.94 175.52 1s5e s TYR 86 N 1.29 3.83 -0.24 3.97 2.02 0.59 -1.30 117.35 127.51 1s5e s TYR 86 Ca -0.04 1.76 -0.10 0.00 -0.37 0.00 0.00 57.07 58.32 1s5e s TYR 86 Cb -0.19 -2.99 -0.05 0.00 -0.40 0.00 0.00 41.96 38.33 1s5e s TYR 86 CO -0.01 0.27 0.16 0.08 -1.57 0.00 0.00 175.55 174.47 1s5e s VAL 87 N -0.23 5.31 -0.05 0.71 1.01 -0.02 -1.50 120.40 125.64 1s5e s VAL 87 Ca 0.44 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.62 1s5e s VAL 87 Cb -0.23 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1s5e s VAL 87 CO 0.29 0.34 -0.15 -0.63 0.00 0.00 0.00 175.10 174.95 1s5e s ILE 88 N 1.11 1.32 0.56 2.22 1.01 0.44 -0.21 121.20 127.66 1s5e s ILE 88 Ca 0.07 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 1s5e s ILE 88 Cb -0.14 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 1s5e s ILE 88 CO 0.05 0.39 1.04 0.00 0.00 0.00 0.00 174.94 176.41 1s5e s ALA 89 N 0.21 2.83 0.17 9.38 0.00 0.03 0.14 121.76 134.52 1s5e s ALA 89 Ca -0.07 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 1s5e s ALA 89 Cb -0.12 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 1s5e s ALA 89 CO 0.03 -0.63 1.01 0.95 0.00 0.00 0.00 175.76 177.11 1s5e s THR 90 N -2.44 4.15 0.17 0.00 -4.23 -1.11 -4.78 115.64 107.39 1s5e s THR 90 Ca 0.63 1.91 -0.17 0.00 -1.18 0.00 0.00 61.69 62.87 1s5e s THR 90 Cb -0.15 -4.22 0.03 0.00 1.34 0.00 0.00 72.50 69.51 1s5e s THR 90 CO 0.34 0.35 0.49 0.00 -0.54 0.00 0.00 174.62 175.26 1s5e s ALA 91 N -0.43 -0.99 -1.95 3.99 0.00 -1.22 -4.06 121.76 117.10 1s5e s ALA 91 Ca 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1s5e s ALA 91 Cb -0.26 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1s5e s ALA 91 CO 0.33 -0.75 0.42 -2.30 0.00 0.00 0.00 175.76 173.46 1s5e n PRO 92 N -0.31 0.43 0.00 0.00 -0.02 -0.38 -1.30 135.00 133.42 1s5e n PRO 92 Ca -0.13 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.49 1s5e n PRO 92 Cb 0.63 -1.01 0.47 0.00 -0.02 0.00 0.00 33.50 33.57 1s5e n PRO 92 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1s5e n ASN 93 N -0.46 1.37 -4.76 2.55 6.94 -1.26 -4.20 115.26 115.44 1s5e n ASN 93 Ca 0.00 -1.30 -0.35 0.00 -0.02 0.00 0.00 54.58 52.90 1s5e n ASN 93 Cb 0.01 0.05 -0.08 0.00 -2.36 0.00 0.00 39.78 37.40 1s5e n ASN 93 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1s5e s MET 94 N -2.17 4.03 -0.10 -3.83 -1.94 -0.42 -0.96 119.30 113.92 1s5e s MET 94 Ca 0.33 -0.20 0.04 0.00 -1.71 0.00 0.00 55.69 54.15 1s5e s MET 94 Cb 0.20 -3.37 -0.00 0.00 2.01 0.00 0.00 34.83 33.67 1s5e s MET 94 CO 0.40 0.40 -0.24 -0.06 -0.01 0.00 0.00 175.02 175.51 1s5e s PHE 95 N 0.07 2.50 -0.34 -0.03 0.08 0.21 -0.27 117.98 120.19 1s5e s PHE 95 Ca 0.09 -1.00 -0.29 0.00 0.12 0.00 0.00 56.93 55.85 1s5e s PHE 95 Cb -0.11 -1.67 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 1s5e s PHE 95 CO -0.01 -0.40 1.64 1.21 -0.10 0.00 0.00 175.22 177.56 1s5e s ASN 96 N 0.32 6.11 0.11 1.36 3.84 -1.26 -0.76 114.94 124.66 1s5e s ASN 96 Ca -0.18 1.18 -0.17 0.00 0.21 0.00 0.00 52.86 53.90 1s5e s ASN 96 Cb -0.18 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 37.95 1s5e s ASN 96 CO 0.08 -1.56 1.61 0.58 -2.79 0.00 0.00 177.10 175.03 1s5e h VAL 97 N 6.61 1.22 -0.98 -5.21 2.07 -1.63 -1.60 116.25 116.74 1s5e h VAL 97 Ca -0.32 -0.75 0.13 0.00 0.82 0.00 0.00 66.70 66.58 1s5e h VAL 97 Cb 1.14 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.90 1s5e h VAL 97 CO 1.05 0.25 0.61 0.78 0.02 0.00 0.00 177.57 180.27 1s5e h ASN 98 N 0.39 0.87 -0.25 0.57 -0.26 -1.90 0.92 115.58 115.92 1s5e h ASN 98 Ca 0.11 0.06 -0.17 0.00 -0.56 0.00 0.00 56.30 55.74 1s5e h ASN 98 Cb 0.30 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1s5e h ASN 98 CO 0.00 0.44 -0.47 0.44 -1.06 0.00 0.00 177.43 176.79 1s5e h ASP 99 N 0.93 0.89 0.38 5.81 3.32 -1.72 -1.27 116.42 124.75 1s5e h ASP 99 Ca 0.50 -0.44 -0.32 0.00 0.02 0.00 0.00 57.03 56.79 1s5e h ASP 99 Cb 0.54 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1s5e h ASP 99 CO -0.28 1.21 -1.54 0.58 -1.72 0.00 0.00 179.24 177.49 1s5e h VAL 100 N 0.65 1.18 -0.02 -1.35 2.07 -0.86 -3.29 116.25 114.64 1s5e h VAL 100 Ca 0.04 -2.75 0.00 0.00 0.82 0.00 0.00 66.70 64.81 1s5e h VAL 100 Cb 1.05 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1s5e h VAL 100 CO 0.10 0.84 -0.24 0.18 0.02 0.00 0.00 177.57 178.47 1s5e n LEU 101 N -3.55 1.78 0.00 2.57 4.77 0.28 -4.77 117.00 118.07 1s5e n LEU 101 Ca -0.17 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1s5e n LEU 101 Cb 1.06 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1s5e n LEU 101 CO 0.53 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1s5e n GLY 102 N 1.34 2.90 0.00 -0.72 0.00 -0.48 -0.67 105.19 107.56 1s5e n GLY 102 Ca 0.13 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1s5e n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5e n ALA 103 N 8.93 2.17 1.38 4.61 0.00 -1.26 -1.63 120.51 134.71 1s5e n ALA 103 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1s5e n ALA 103 Cb 0.00 -1.38 0.45 0.00 0.00 0.00 0.00 19.45 18.52 1s5e n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s5e n TYR 104 N -1.34 0.04 -1.84 0.00 4.01 0.16 -4.90 117.16 113.29 1s5e n TYR 104 Ca 0.10 -0.02 -0.42 0.00 -0.16 0.00 0.00 57.90 57.40 1s5e n TYR 104 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 1s5e n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1s5e s SER 105 N -1.94 6.55 0.30 7.72 0.15 -0.65 -4.88 113.70 120.97 1s5e s SER 105 Ca 0.36 2.50 0.10 0.00 0.70 0.00 0.00 55.95 59.61 1s5e s SER 105 Cb 0.20 -2.54 0.47 0.00 -1.71 0.00 0.00 66.02 62.45 1s5e s SER 105 CO 0.32 -0.97 1.69 1.55 1.20 0.00 0.00 173.24 177.03 1s5e h PRO 106 N 9.58 0.06 -2.06 5.44 0.13 -1.90 -3.36 132.00 139.89 1s5e h PRO 106 Ca -0.44 -0.03 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 1s5e h PRO 106 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 1s5e h PRO 106 CO 0.94 0.56 -0.97 0.72 -0.23 0.00 0.00 178.00 179.02 1s5e n HIS 107 N -3.94 0.88 0.27 1.56 8.25 -1.26 -4.97 115.22 116.01 1s5e n HIS 107 Ca -0.02 -3.75 0.15 0.00 -0.26 0.00 0.00 57.72 53.84 1s5e n HIS 107 Cb 0.53 -0.42 0.76 0.00 1.12 0.00 0.00 29.99 31.98 1s5e n HIS 107 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1s5e h PRO 108 N 3.90 0.00 0.00 -0.41 0.13 -1.98 -2.25 132.00 131.38 1s5e h PRO 108 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1s5e h PRO 108 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1s5e h PRO 108 CO 0.57 0.09 0.00 -0.44 -0.23 0.00 0.00 178.00 178.00 1s5e h ASP 109 N 0.00 0.00 1.60 1.44 3.32 -1.95 -2.73 116.42 118.11 1s5e h ASP 109 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s5e h ASP 109 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1s5e h ASP 109 CO 0.01 0.00 0.00 -0.33 -1.72 0.00 0.00 179.24 177.20 1s5e h GLU 110 N 0.00 0.00 -6.49 3.56 4.39 -1.84 -3.48 114.58 110.72 1s5e h GLU 110 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 1s5e h GLU 110 Cb 0.55 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1s5e h GLU 110 CO 0.00 0.00 -0.94 1.04 -1.16 0.00 0.00 179.01 177.95 1s5e n GLN 111 N -2.91 -1.53 -2.83 2.33 6.02 -1.03 -4.86 117.38 112.58 1s5e n GLN 111 Ca 0.03 0.34 -0.35 0.00 -0.01 0.00 0.00 57.00 57.01 1s5e n GLN 111 Cb 0.44 -3.85 -0.07 0.00 1.02 0.00 0.00 30.24 27.78 1s5e n GLN 111 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1s5e s GLU 112 N -6.51 4.41 -0.12 -1.09 2.02 -1.26 -4.38 118.70 111.76 1s5e s GLU 112 Ca 0.33 1.20 0.01 0.00 0.02 0.00 0.00 54.97 56.53 1s5e s GLU 112 Cb -0.14 -2.55 0.02 0.00 0.10 0.00 0.00 34.13 31.56 1s5e s GLU 112 CO 0.90 0.16 -0.13 0.08 0.02 0.00 0.00 175.26 176.29 1s5e s VAL 113 N -1.84 1.40 -0.03 2.63 1.01 -0.78 -1.44 120.40 121.34 1s5e s VAL 113 Ca 0.55 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1s5e s VAL 113 Cb -0.14 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1s5e s VAL 113 CO 0.19 0.43 -0.23 -0.44 0.00 0.00 0.00 175.10 175.05 1s5e s SER 114 N 1.35 2.78 -0.27 3.32 0.01 0.06 -0.63 113.70 120.33 1s5e s SER 114 Ca 0.01 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 56.71 1s5e s SER 114 Cb -0.13 -0.53 -0.05 0.00 0.21 0.00 0.00 66.02 65.52 1s5e s SER 114 CO -0.07 0.26 0.18 0.00 0.41 0.00 0.00 173.24 174.02 1s5e s ALA 115 N -0.34 3.56 -0.28 1.44 0.00 -0.07 -0.62 121.76 125.45 1s5e s ALA 115 Ca 0.03 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 1s5e s ALA 115 Cb -0.11 -2.42 -0.00 0.00 0.00 0.00 0.00 23.12 20.59 1s5e s ALA 115 CO 0.01 -0.42 1.30 -1.17 0.00 0.00 0.00 175.76 175.48 1s5e s LEU 116 N 1.50 3.92 0.00 0.00 2.96 -0.13 -1.52 118.68 125.41 1s5e s LEU 116 Ca 0.07 1.27 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 1s5e s LEU 116 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1s5e s LEU 116 CO 0.09 -1.04 0.00 0.61 -1.32 0.00 0.00 176.35 174.69 1s5e n GLY 117 N 4.22 0.77 4.76 7.98 0.00 0.53 -4.93 105.19 118.52 1s5e n GLY 117 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1s5e n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5e n GLY 118 N -2.06 -1.93 3.14 -0.02 0.00 -0.91 -4.59 105.19 98.81 1s5e n GLY 118 Ca 0.00 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 1s5e n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s5e s ILE 119 N 0.00 2.59 0.57 -0.61 1.01 -0.34 -4.86 121.20 119.56 1s5e s ILE 119 Ca 0.00 -1.38 -0.20 0.00 0.00 0.00 0.00 60.65 59.07 1s5e s ILE 119 Cb 0.00 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1s5e s ILE 119 CO 0.00 0.03 1.26 -2.16 0.00 0.00 0.00 174.94 174.07 1s5e s PRO 120 N 1.21 3.08 0.32 2.79 0.04 -1.26 -0.34 135.00 140.83 1s5e s PRO 120 Ca -0.05 1.97 0.09 0.00 0.04 0.00 0.00 61.00 63.05 1s5e s PRO 120 Cb -0.19 -2.08 0.91 0.00 0.04 0.00 0.00 34.50 33.18 1s5e s PRO 120 CO -0.04 -1.16 1.67 -0.92 0.04 0.00 0.00 177.00 176.59 1s5e h TYR 121 N 1.18 0.73 0.00 0.56 3.20 -1.32 -0.09 116.97 121.24 1s5e h TYR 121 Ca -0.50 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 1s5e h TYR 121 Cb 1.30 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 1s5e h TYR 121 CO 0.47 -0.14 -0.12 0.66 -1.64 0.00 0.00 178.16 177.39 1s5e h SER 122 N 0.33 0.00 0.58 -2.11 4.64 -1.86 -1.40 113.55 113.73 1s5e h SER 122 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1s5e h SER 122 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1s5e h SER 122 CO -0.60 0.12 -0.16 1.67 -0.87 0.00 0.00 176.83 176.98 1s5e n GLN 123 N -3.47 0.33 -3.11 4.77 7.27 -0.05 -3.37 117.38 119.75 1s5e n GLN 123 Ca -0.01 -0.11 -0.42 0.00 0.07 0.00 0.00 57.00 56.53 1s5e n GLN 123 Cb 0.27 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.36 1s5e n GLN 123 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1s5e s ILE 124 N -2.74 4.89 0.19 1.69 1.01 -0.53 -0.79 121.20 124.93 1s5e s ILE 124 Ca 0.21 0.59 -0.04 0.00 0.00 0.00 0.00 60.65 61.41 1s5e s ILE 124 Cb 0.19 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1s5e s ILE 124 CO 0.54 -0.31 1.53 0.22 0.00 0.00 0.00 174.94 176.93 1s5e h TYR 125 N 8.45 0.78 0.00 3.97 3.20 -0.88 -3.39 116.97 129.11 1s5e h TYR 125 Ca -0.26 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.36 1s5e h TYR 125 Cb 1.11 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1s5e h TYR 125 CO 0.75 0.98 0.00 0.41 -1.64 0.00 0.00 178.16 178.66 1s5e n GLY 126 N 0.12 -1.32 3.45 1.82 0.00 -1.13 -1.43 105.19 106.71 1s5e n GLY 126 Ca -0.02 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 1s5e n GLY 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1s5e s TRP 127 N -2.97 -0.55 0.07 1.61 -2.14 -0.55 -0.84 118.94 113.57 1s5e s TRP 127 Ca 0.00 1.04 0.03 0.00 2.66 0.00 0.00 56.10 59.83 1s5e s TRP 127 Cb 0.00 0.30 -0.04 0.00 -3.10 0.00 0.00 33.47 30.63 1s5e s TRP 127 CO 0.00 -0.49 0.08 0.71 -2.66 0.00 0.00 176.95 174.59 1s5e s TYR 128 N -0.88 3.21 -0.06 1.66 2.02 -0.42 -1.06 117.35 121.82 1s5e s TYR 128 Ca -0.09 0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.59 1s5e s TYR 128 Cb -0.02 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 1s5e s TYR 128 CO 0.07 0.52 0.27 0.50 -1.57 0.00 0.00 175.55 175.35 1s5e s ARG 129 N -2.33 3.67 -0.19 -0.62 3.00 -1.26 -1.02 118.95 120.21 1s5e s ARG 129 Ca 0.29 0.13 -0.00 0.00 -1.00 0.00 0.00 55.73 55.15 1s5e s ARG 129 Cb -0.12 -3.20 0.01 0.00 0.00 0.00 0.00 34.95 31.64 1s5e s ARG 129 CO 0.21 0.73 -0.15 0.08 0.00 0.00 0.00 175.30 176.17 1s5e s VAL 130 N -1.07 2.50 -0.18 7.11 1.01 0.65 -0.86 120.40 129.57 1s5e s VAL 130 Ca 0.20 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1s5e s VAL 130 Cb -0.14 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1s5e s VAL 130 CO 0.09 0.51 -0.17 -2.28 0.00 0.00 0.00 175.10 173.25 1s5e s HIS 131 N 1.25 2.61 -1.53 5.22 2.46 -0.64 -1.74 115.29 122.92 1s5e s HIS 131 Ca 0.03 -1.58 -0.08 0.00 0.47 0.00 0.00 55.06 53.91 1s5e s HIS 131 Cb -0.14 -1.80 0.07 0.00 -0.13 0.00 0.00 32.58 30.58 1s5e s HIS 131 CO -0.08 -0.77 0.59 1.19 -2.47 0.00 0.00 174.74 173.20 1s5e n PHE 132 N 4.65 -1.73 0.00 3.88 3.72 0.31 -1.66 117.46 126.63 1s5e n PHE 132 Ca -0.19 0.78 0.00 0.00 -0.05 0.00 0.00 57.45 57.99 1s5e n PHE 132 Cb 0.49 -3.46 0.00 0.00 -0.94 0.00 0.00 39.48 35.57 1s5e n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s5e n GLY 133 N -1.76 2.35 3.61 1.37 0.00 -1.26 -5.01 105.19 104.49 1s5e n GLY 133 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1s5e n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s5e s VAL 134 N -2.64 5.30 -0.11 1.61 1.01 -0.66 -5.04 120.40 119.87 1s5e s VAL 134 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1s5e s VAL 134 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1s5e s VAL 134 CO 0.00 0.26 1.30 -0.22 0.00 0.00 0.00 175.10 176.44 1s5e s LEU 135 N 1.64 4.23 -0.12 3.92 2.96 -1.26 -1.62 118.68 128.43 1s5e s LEU 135 Ca 0.08 1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 55.51 1s5e s LEU 135 Cb -0.15 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1s5e s LEU 135 CO 0.09 -0.73 1.06 -0.62 -1.32 0.00 0.00 176.35 174.83 1s5e s ASP 136 N 1.99 7.18 0.58 3.68 -1.08 -0.04 -4.95 116.67 124.03 1s5e s ASP 136 Ca 0.58 1.56 0.36 0.00 -0.52 0.00 0.00 52.55 54.53 1s5e s ASP 136 Cb -0.24 -2.55 1.71 0.00 -1.46 0.00 0.00 42.92 40.37 1s5e s ASP 136 CO 0.19 -0.52 2.11 1.05 0.52 0.00 0.00 175.17 178.53 1s5e h GLU 137 N 7.25 0.00 -6.27 4.34 -0.00 -1.94 -3.39 114.58 114.57 1s5e h GLU 137 Ca -0.30 0.00 -0.57 0.00 -0.00 0.00 0.00 59.36 58.50 1s5e h GLU 137 Cb 1.13 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.85 1s5e h GLU 137 CO 0.88 0.02 1.01 1.14 -0.00 0.00 0.00 179.01 182.07 1s5e s GLN 138 N -3.87 3.98 -0.25 1.06 0.00 -1.26 -4.99 119.66 114.32 1s5e s GLN 138 Ca -0.01 1.56 -0.25 0.00 -0.00 0.00 0.00 55.36 56.65 1s5e s GLN 138 Cb 0.11 -3.91 -0.00 0.00 0.00 0.00 0.00 33.01 29.20 1s5e s GLN 138 CO 0.51 -1.05 0.87 -1.17 0.00 0.00 0.00 175.29 174.44 1s5e s LEU 139 N 4.40 4.08 -0.20 2.60 2.96 -1.26 -4.59 118.68 126.67 1s5e s LEU 139 Ca 0.62 1.07 -0.23 0.00 -0.22 0.00 0.00 54.13 55.37 1s5e s LEU 139 Cb -0.22 -3.25 -0.02 0.00 0.50 0.00 0.00 46.19 43.20 1s5e s LEU 139 CO 0.24 -0.56 0.75 -1.00 -1.32 0.00 0.00 176.35 174.46 1s5e s HIS 140 N 2.94 3.37 0.13 5.38 3.76 -0.22 -4.93 115.29 125.71 1s5e s HIS 140 Ca 0.37 1.09 -0.22 0.00 -0.15 0.00 0.00 55.06 56.15 1s5e s HIS 140 Cb -0.15 -2.94 -0.07 0.00 1.11 0.00 0.00 32.58 30.52 1s5e s HIS 140 CO 0.08 -0.27 0.67 1.03 -0.85 0.00 0.00 174.74 175.40 1s5e s ARG 141 N 2.29 4.36 -0.15 1.40 1.81 -1.26 -1.48 118.95 125.92 1s5e s ARG 141 Ca 0.33 0.93 -0.22 0.00 -1.72 0.00 0.00 55.73 55.05 1s5e s ARG 141 Cb -0.16 -3.21 -0.03 0.00 -0.45 0.00 0.00 34.95 31.10 1s5e s ARG 141 CO 0.10 0.59 0.68 1.21 -0.68 0.00 0.00 175.30 177.20 1s5e s ASN 142 N -1.18 6.82 0.48 0.23 2.47 -0.51 -4.93 114.94 118.32 1s5e s ASN 142 Ca 0.33 1.00 0.24 0.00 0.42 0.00 0.00 52.86 54.85 1s5e s ASN 142 Cb -0.21 -2.38 1.19 0.00 -1.45 0.00 0.00 41.25 38.40 1s5e s ASN 142 CO 0.22 -0.23 1.96 0.03 -3.72 0.00 0.00 177.10 175.37 1s5e h ARG 143 N 7.19 0.00 0.00 0.43 3.08 -1.91 -3.00 114.38 120.16 1s5e h ARG 143 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1s5e h ARG 143 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1s5e h ARG 143 CO 0.78 0.19 0.00 0.41 -1.07 0.00 0.00 179.97 180.28 1s5e n GLY 144 N -0.40 -1.27 3.79 0.04 0.00 -1.26 -4.86 105.19 101.23 1s5e n GLY 144 Ca -0.01 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1s5e n GLY 144 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s5e s TYR 145 N -2.96 3.09 -0.31 1.61 5.04 -1.14 -4.26 117.35 118.43 1s5e s TYR 145 Ca 0.12 1.60 0.01 0.00 -2.44 0.00 0.00 57.07 56.36 1s5e s TYR 145 Cb 0.15 -3.13 0.10 0.00 0.35 0.00 0.00 41.96 39.43 1s5e s TYR 145 CO 0.41 -0.82 0.06 1.03 -1.34 0.00 0.00 175.55 174.89 1s5e s ARG 146 N -2.87 1.08 0.11 4.97 1.81 -1.22 -5.03 118.95 117.81 1s5e s ARG 146 Ca 0.63 -1.34 -0.14 0.00 -1.72 0.00 0.00 55.73 53.16 1s5e s ARG 146 Cb -0.20 -2.49 -0.08 0.00 -0.45 0.00 0.00 34.95 31.73 1s5e s ARG 146 CO 0.25 -0.92 1.43 0.22 -0.68 0.00 0.00 175.30 175.59 1s5e h ASP 147 N 7.90 0.83 -0.52 0.23 3.58 -1.96 -1.96 116.42 124.53 1s5e h ASP 147 Ca -0.11 -0.48 -0.09 0.00 0.42 0.00 0.00 57.03 56.77 1s5e h ASP 147 Cb 1.02 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 1s5e h ASP 147 CO 0.48 1.14 -0.01 0.03 -2.88 0.00 0.00 179.24 178.01 1s5e h ARG 148 N 0.54 0.97 0.50 0.28 3.08 -1.98 -0.83 114.38 116.93 1s5e h ARG 148 Ca 0.05 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 1s5e h ARG 148 Cb 0.92 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1s5e h ARG 148 CO 0.08 0.96 -0.24 -0.92 -1.07 0.00 0.00 179.97 178.78 1s5e h TYR 149 N 0.89 -0.62 0.00 3.04 3.20 -1.98 -3.18 116.97 118.32 1s5e h TYR 149 Ca 0.16 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1s5e h TYR 149 Cb 0.53 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1s5e h TYR 149 CO 0.03 -0.29 -0.34 1.88 -1.64 0.00 0.00 178.16 177.81 1s5e h TYR 150 N -0.96 0.00 0.00 -3.82 0.05 -1.31 -2.96 116.97 107.97 1s5e h TYR 150 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1s5e h TYR 150 Cb 0.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.34 1s5e h TYR 150 CO 0.01 0.34 0.00 0.43 -1.05 0.00 0.00 178.16 177.88 1s5e n SER 151 N -3.28 0.14 -0.99 3.88 7.64 -0.32 -2.05 113.62 118.63 1s5e n SER 151 Ca 0.02 0.52 0.10 0.00 1.01 0.00 0.00 58.87 60.52 1s5e n SER 151 Cb 0.59 -0.55 0.27 0.00 -1.01 0.00 0.00 64.21 63.51 1s5e n SER 151 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1s5e n ASN 152 N -1.64 2.93 -4.39 6.43 5.15 -1.12 -2.66 115.26 119.97 1s5e n ASN 152 Ca 0.06 -1.94 -0.21 0.00 -0.60 0.00 0.00 54.58 51.88 1s5e n ASN 152 Cb 0.29 -0.28 -0.10 0.00 -0.53 0.00 0.00 39.78 39.16 1s5e n ASN 152 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1s5e s LEU 153 N -1.28 2.54 0.38 1.20 1.43 -0.87 -4.66 118.68 117.42 1s5e s LEU 153 Ca 0.37 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.52 1s5e s LEU 153 Cb 0.20 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 1s5e s LEU 153 CO 0.28 -0.07 0.14 -1.81 0.23 0.00 0.00 176.35 175.12 1s5e s ASP 154 N -3.24 2.45 0.88 2.29 1.01 -1.26 -1.92 116.67 116.88 1s5e s ASP 154 Ca 0.24 -1.63 -0.11 0.00 0.71 0.00 0.00 52.55 51.75 1s5e s ASP 154 Cb -0.03 0.44 0.12 0.00 1.01 0.00 0.00 42.92 44.46 1s5e s ASP 154 CO 0.09 -0.91 1.10 0.27 0.21 0.00 0.00 175.17 175.94 1s5e s ILE 155 N -3.31 2.69 0.34 0.77 -4.36 -1.26 -1.26 121.20 114.83 1s5e s ILE 155 Ca 0.28 0.22 -0.29 0.00 -0.26 0.00 0.00 60.65 60.61 1s5e s ILE 155 Cb 0.03 -2.55 -0.12 0.00 1.25 0.00 0.00 42.46 41.08 1s5e s ILE 155 CO 0.16 -0.29 1.48 0.00 0.24 0.00 0.00 174.94 176.53 1s5e n ALA 156 N -3.94 2.18 -1.64 2.27 0.00 0.62 -4.64 120.51 115.37 1s5e n ALA 156 Ca 0.09 0.36 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 1s5e n ALA 156 Cb 0.53 -2.40 0.05 0.00 0.00 0.00 0.00 19.45 17.63 1s5e n ALA 156 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s5e s PRO 157 N -1.57 2.79 0.50 0.00 0.04 -1.26 -4.62 135.00 130.88 1s5e s PRO 157 Ca 0.57 1.76 0.19 0.00 0.04 0.00 0.00 61.00 63.56 1s5e s PRO 157 Cb -0.50 -1.91 1.24 0.00 0.04 0.00 0.00 34.50 33.37 1s5e s PRO 157 CO 0.59 -1.33 2.05 0.00 0.04 0.00 0.00 177.00 178.34 1s5e h ALA 158 N 0.55 2.18 0.00 8.56 0.00 -1.94 -1.83 119.26 126.78 1s5e h ALA 158 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1s5e h ALA 158 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1s5e h ALA 158 CO 0.54 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1s5e h ALA 159 N 1.82 1.00 0.00 0.00 0.00 -1.96 0.24 119.26 120.36 1s5e h ALA 159 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1s5e h ALA 159 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1s5e h ALA 159 CO -0.02 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.79 1s5e h ASP 160 N 0.00 0.00 0.05 0.00 3.32 -1.70 -3.36 116.42 114.73 1s5e h ASP 160 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1s5e h ASP 160 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1s5e h ASP 160 CO 0.00 0.00 -2.08 0.61 -1.72 0.00 0.00 179.24 176.05 1s5e n GLY 161 N 1.12 -1.02 0.31 2.75 0.00 0.80 -4.60 105.19 104.55 1s5e n GLY 161 Ca 0.05 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.64 1s5e n GLY 161 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1s5e h TYR 162 N 0.00 0.89 0.00 1.61 0.05 -1.57 0.70 116.97 118.64 1s5e h TYR 162 Ca -0.17 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.64 1s5e h TYR 162 Cb 1.40 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1s5e h TYR 162 CO 0.00 0.40 0.00 0.78 -1.05 0.00 0.00 178.16 178.29 1s5e h GLY 163 N 0.85 0.00 -1.69 3.88 0.00 -1.81 -2.44 103.07 101.86 1s5e h GLY 163 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1s5e h GLY 163 CO -0.21 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.37 1s5e n LEU 164 N -2.32 3.36 -0.07 3.11 4.77 0.17 -4.58 117.00 121.44 1s5e n LEU 164 Ca 0.02 -2.16 0.09 0.00 -0.03 0.00 0.00 56.01 53.93 1s5e n LEU 164 Cb 0.25 -0.34 0.45 0.00 -2.33 0.00 0.00 43.42 41.45 1s5e n LEU 164 CO 0.21 0.77 1.18 0.00 -1.33 0.00 0.00 177.39 178.23 1s5e h ALA 165 N 2.53 1.87 0.00 -1.18 0.00 -0.87 -3.34 119.26 118.27 1s5e h ALA 165 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s5e h ALA 165 Cb 0.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1s5e h ALA 165 CO 0.05 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1s5e n GLY 166 N -1.49 0.57 3.58 0.00 0.00 -1.26 -0.90 105.19 105.69 1s5e n GLY 166 Ca 0.08 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1s5e n GLY 166 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s5e n PHE 167 N -2.83 0.58 -0.88 1.61 3.72 -1.26 -4.67 117.46 113.73 1s5e n PHE 167 Ca 0.00 0.47 -0.32 0.00 -0.05 0.00 0.00 57.45 57.55 1s5e n PHE 167 Cb 0.00 -2.12 0.15 0.00 -0.94 0.00 0.00 39.48 36.56 1s5e n PHE 167 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1s5e n PRO 168 N -0.45 -0.16 0.26 -1.08 -0.04 -1.26 -4.90 135.00 127.37 1s5e n PRO 168 Ca 0.12 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.69 1s5e n PRO 168 Cb 0.45 -2.37 0.65 0.00 -0.04 0.00 0.00 33.50 32.19 1s5e n PRO 168 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1s5e h PRO 169 N -1.42 0.00 -0.00 0.54 0.13 -1.93 -1.53 132.00 127.79 1s5e h PRO 169 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s5e h PRO 169 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1s5e h PRO 169 CO 0.43 0.06 -0.14 -0.85 -0.23 0.00 0.00 178.00 177.27 1s5e n GLU 170 N -4.30 0.37 -1.88 0.86 0.00 -1.26 -1.67 120.64 112.76 1s5e n GLU 170 Ca -0.03 -0.11 -0.42 0.00 0.00 0.00 0.00 57.16 56.61 1s5e n GLU 170 Cb 0.15 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.06 1s5e n GLU 170 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1s5e s HIS 171 N -2.71 2.94 0.46 -1.84 2.46 -0.58 -4.89 115.29 111.13 1s5e s HIS 171 Ca 0.22 0.73 0.25 0.00 0.47 0.00 0.00 55.06 56.73 1s5e s HIS 171 Cb 0.19 -3.97 1.29 0.00 -0.13 0.00 0.00 32.58 29.95 1s5e s HIS 171 CO 0.53 -3.42 1.81 -0.09 -2.47 0.00 0.00 174.74 171.10 1s5e h ARG 172 N 5.78 0.22 -0.96 2.88 9.65 -1.90 -2.52 114.38 127.52 1s5e h ARG 172 Ca -0.45 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.53 1s5e h ARG 172 Cb 1.21 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 29.66 1s5e h ARG 172 CO 0.85 0.14 0.59 0.00 2.80 0.00 0.00 179.97 184.36 1s5e h ALA 173 N 1.55 1.41 0.00 2.80 0.00 -1.92 -1.12 119.26 121.98 1s5e h ALA 173 Ca 0.54 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1s5e h ALA 173 Cb 1.71 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1s5e h ALA 173 CO -0.16 0.22 0.00 -1.49 0.00 0.00 0.00 179.25 177.82 1s5e h TRP 174 N 0.96 0.00 -0.45 0.00 -0.00 -1.79 -0.52 115.95 114.15 1s5e h TRP 174 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.35 1s5e h TRP 174 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.58 1s5e h TRP 174 CO -0.02 0.00 0.00 0.54 -0.00 0.00 0.00 178.44 178.96 1s5e n ARG 175 N -2.89 3.41 -4.33 0.49 1.74 -0.44 -3.53 116.66 111.12 1s5e n ARG 175 Ca -0.01 -2.72 -0.20 0.00 -0.77 0.00 0.00 57.85 54.14 1s5e n ARG 175 Cb 0.14 -1.78 -0.11 0.00 -1.02 0.00 0.00 32.46 29.70 1s5e n ARG 175 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1s5e s GLU 176 N -2.06 1.27 0.28 5.56 2.02 -0.20 -4.93 118.70 120.64 1s5e s GLU 176 Ca 0.43 -1.46 -0.29 0.00 0.02 0.00 0.00 54.97 53.67 1s5e s GLU 176 Cb 0.30 -1.23 -0.09 0.00 0.10 0.00 0.00 34.13 33.20 1s5e s GLU 176 CO 0.17 0.23 1.07 -1.21 0.02 0.00 0.00 175.26 175.55 1s5e s GLU 177 N -3.07 4.64 0.00 1.61 2.02 -1.26 -1.49 118.70 121.15 1s5e s GLU 177 Ca 0.17 1.74 0.25 0.00 0.02 0.00 0.00 54.97 57.15 1s5e s GLU 177 Cb -0.04 -3.15 0.43 0.00 0.10 0.00 0.00 34.13 31.46 1s5e s GLU 177 CO 0.06 0.23 1.36 -0.35 0.02 0.00 0.00 175.26 176.58 1s5e n PRO 178 N 1.14 0.94 0.24 0.39 -0.04 -1.26 -4.94 135.00 131.46 1s5e n PRO 178 Ca -0.01 -0.66 0.07 0.00 -0.04 0.00 0.00 63.50 62.86 1s5e n PRO 178 Cb 0.45 -1.49 0.57 0.00 -0.04 0.00 0.00 33.50 33.00 1s5e n PRO 178 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1s5e h TRP 179 N 1.62 0.00 -0.47 0.54 6.55 -1.55 -2.76 115.95 119.88 1s5e h TRP 179 Ca 0.00 0.00 0.06 0.00 0.95 0.00 0.00 58.89 59.90 1s5e h TRP 179 Cb 0.60 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.88 1s5e h TRP 179 CO 0.00 0.14 0.31 -0.84 -1.05 0.00 0.00 178.44 177.00 1s5e h ILE 180 N 0.00 0.96 0.00 1.49 -0.00 -1.31 0.13 117.51 118.78 1s5e h ILE 180 Ca -0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 64.86 64.73 1s5e h ILE 180 Cb 0.26 0.56 0.00 0.00 -0.00 0.00 0.00 36.82 37.64 1s5e h ILE 180 CO 0.02 0.07 0.00 1.41 -0.00 0.00 0.00 178.15 179.65 1s5e n HIS 181 N -4.47 0.00 -0.36 0.16 8.25 -1.04 -3.46 115.22 114.30 1s5e n HIS 181 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1s5e n HIS 181 Cb 0.27 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1s5e n HIS 181 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1s5e n HIS 182 N -1.31 0.00 -1.86 4.41 8.25 0.15 -5.08 115.22 119.78 1s5e n HIS 182 Ca 0.13 -0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 56.97 1s5e n HIS 182 Cb 0.24 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 1s5e n HIS 182 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5e s ALA 183 N -0.39 3.83 0.69 -1.41 0.00 0.20 -4.26 121.76 120.42 1s5e s ALA 183 Ca 0.00 1.44 -0.17 0.00 0.00 0.00 0.00 51.96 53.24 1s5e s ALA 183 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1s5e s ALA 183 CO 0.00 -0.85 1.14 -2.30 0.00 0.00 0.00 175.76 173.74 1s5e n PRO 184 N 4.09 0.77 -1.64 0.00 -0.02 -1.26 -4.86 135.00 132.08 1s5e n PRO 184 Ca 0.15 0.32 -0.48 0.00 -2.02 0.00 0.00 63.50 61.47 1s5e n PRO 184 Cb 0.37 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 1s5e n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1s5e n PRO 185 N -1.96 1.76 0.00 0.52 -0.02 -1.26 -0.81 135.00 133.22 1s5e n PRO 185 Ca 0.14 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1s5e n PRO 185 Cb 0.49 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1s5e n PRO 185 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5e n GLY 186 N 2.89 2.47 3.76 -1.23 0.00 -1.26 -4.22 105.19 107.59 1s5e n GLY 186 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1s5e n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5e n GLY 188 N 2.69 3.22 2.67 0.00 0.00 -0.67 -4.74 105.19 108.34 1s5e n GLY 188 Ca -0.08 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1s5e n GLY 188 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s5e n ASN 189 N 7.72 4.91 -4.76 1.61 5.15 -1.26 -4.95 115.26 123.69 1s5e n ASN 189 Ca 0.00 -3.46 -0.40 0.00 -0.60 0.00 0.00 54.58 50.11 1s5e n ASN 189 Cb 0.00 -0.89 -0.04 0.00 -0.53 0.00 0.00 39.78 38.32 1s5e n ASN 189 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1s5e s THR 198 N -2.81 3.28 0.14 -0.44 2.01 -1.26 -4.71 115.64 111.86 1s5e s THR 198 Ca 0.37 1.28 -0.26 0.00 0.31 0.00 0.00 61.69 63.40 1s5e s THR 198 Cb 0.12 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1s5e s THR 198 CO 0.02 0.30 1.60 0.00 -0.69 0.00 0.00 174.62 175.85 1s5e h ASP 200 N -0.37 0.02 0.09 0.00 3.32 -1.92 -0.48 116.42 117.08 1s5e h ASP 200 Ca 0.11 -0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 1s5e h ASP 200 Cb 0.56 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1s5e h ASP 200 CO -0.42 0.16 -0.69 -0.33 -1.72 0.00 0.00 179.24 176.24 1s5e h GLU 201 N 0.02 0.55 -0.06 3.56 5.08 -1.75 -2.32 114.58 119.66 1s5e h GLU 201 Ca 0.00 -0.42 -0.18 0.00 -1.00 0.00 0.00 59.36 57.76 1s5e h GLU 201 Cb 0.26 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1s5e h GLU 201 CO 0.02 1.04 -0.74 0.87 -1.00 0.00 0.00 179.01 179.20 1s5e h LYS 202 N 0.39 0.35 -0.46 2.33 1.57 -0.68 -0.97 116.57 119.09 1s5e h LYS 202 Ca -0.02 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1s5e h LYS 202 Cb 1.27 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1s5e h LYS 202 CO 0.13 0.95 0.26 1.15 -0.57 0.00 0.00 179.45 181.37 1s5e h THR 203 N 0.24 1.02 -0.02 -0.16 2.02 -1.08 -0.51 112.91 114.42 1s5e h THR 203 Ca -0.03 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1s5e h THR 203 Cb 1.32 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1s5e h THR 203 CO 0.12 0.10 0.01 -0.61 0.37 0.00 0.00 175.52 175.51 1s5e h GLN 204 N 0.52 0.03 -0.21 6.66 5.75 -1.21 -1.86 115.11 124.78 1s5e h GLN 204 Ca 0.19 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 1s5e h GLN 204 Cb 0.04 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1s5e h GLN 204 CO -0.10 0.22 -0.06 0.66 -2.65 0.00 0.00 178.83 176.90 1s5e h SER 205 N -0.17 0.30 -0.32 -0.69 4.64 -1.07 -1.06 113.55 115.19 1s5e h SER 205 Ca 0.01 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 1s5e h SER 205 Cb 0.20 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1s5e h SER 205 CO -0.00 0.41 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.15 1s5e h LEU 206 N 0.31 0.77 -0.40 5.97 3.38 -0.90 -0.57 115.31 123.87 1s5e h LEU 206 Ca 0.07 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 1s5e h LEU 206 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1s5e h LEU 206 CO 0.01 0.93 -0.13 1.23 0.09 0.00 0.00 178.44 180.57 1s5e h GLY 207 N 0.97 0.86 1.02 0.83 0.00 -0.79 -1.03 103.07 104.93 1s5e h GLY 207 Ca 0.11 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1s5e h GLY 207 CO 0.04 0.67 0.46 -2.08 0.00 0.00 0.00 176.54 175.63 1s5e h VAL 208 N 0.60 1.24 -0.52 4.60 2.07 -1.03 -1.05 116.25 122.16 1s5e h VAL 208 Ca 0.10 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1s5e h VAL 208 Cb 0.67 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1s5e h VAL 208 CO 0.05 0.26 0.09 0.50 0.02 0.00 0.00 177.57 178.48 1s5e h LYS 209 N 1.12 0.87 -0.44 1.57 3.64 -0.91 0.11 116.57 122.53 1s5e h LYS 209 Ca 0.29 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1s5e h LYS 209 Cb 0.01 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1s5e h LYS 209 CO -0.05 0.85 0.29 0.35 -2.27 0.00 0.00 179.45 178.62 1s5e h PHE 210 N 0.75 0.56 -0.37 1.91 3.04 -0.95 -1.54 116.94 120.34 1s5e h PHE 210 Ca 0.16 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.98 1s5e h PHE 210 Cb 0.40 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 1s5e h PHE 210 CO 0.03 0.36 -0.32 1.25 -2.02 0.00 0.00 178.31 177.60 1s5e h LEU 211 N 0.60 0.87 -0.20 0.59 5.85 -0.87 -0.13 115.31 122.02 1s5e h LEU 211 Ca 0.16 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1s5e h LEU 211 Cb -0.06 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 1s5e h LEU 211 CO -0.03 1.12 -0.10 0.44 -0.34 0.00 0.00 178.44 179.53 1s5e h ASP 212 N 0.70 -0.33 -0.52 1.25 3.32 -0.50 0.87 116.42 121.20 1s5e h ASP 212 Ca 0.07 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 1s5e h ASP 212 Cb 0.88 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1s5e h ASP 212 CO 0.08 -0.13 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.09 1s5e h GLU 213 N -0.08 0.99 -0.21 3.56 5.08 -1.16 -2.55 114.58 120.20 1s5e h GLU 213 Ca 0.11 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1s5e h GLU 213 Cb 0.24 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1s5e h GLU 213 CO -0.25 1.00 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.83 1s5e h TYR 214 N 0.89 0.42 -0.55 4.33 3.20 -0.74 -3.02 116.97 121.50 1s5e h TYR 214 Ca 0.15 -0.08 0.09 0.00 3.14 0.00 0.00 58.73 62.04 1s5e h TYR 214 Cb 0.59 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 1s5e h TYR 214 CO 0.04 0.58 0.37 1.96 -1.64 0.00 0.00 178.16 179.47 1s5e h GLN 215 N 0.14 0.37 -0.64 1.82 4.20 -0.81 -1.62 115.11 118.57 1s5e h GLN 215 Ca 0.06 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1s5e h GLN 215 Cb 0.42 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1s5e h GLN 215 CO 0.01 0.24 0.12 0.77 -0.67 0.00 0.00 178.83 179.31 1s5e h SER 216 N 0.38 0.99 -0.18 1.46 0.02 -1.33 -0.66 113.55 114.23 1s5e h SER 216 Ca 0.25 -0.22 -0.17 0.00 -0.84 0.00 0.00 61.79 60.82 1s5e h SER 216 Cb 0.50 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1s5e h SER 216 CO -0.06 0.97 -0.50 0.11 -1.14 0.00 0.00 176.83 176.21 1s5e h LYS 217 N 0.98 0.75 -0.22 3.45 1.57 -1.22 -2.06 116.57 119.82 1s5e h LYS 217 Ca 0.20 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1s5e h LYS 217 Cb 0.39 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1s5e h LYS 217 CO 0.01 1.07 0.05 0.28 -0.57 0.00 0.00 179.45 180.29 1s5e h VAL 218 N 0.59 1.21 -0.80 0.50 2.07 -1.12 -1.91 116.25 116.79 1s5e h VAL 218 Ca 0.03 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1s5e h VAL 218 Cb 1.07 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 1s5e h VAL 218 CO 0.11 0.21 0.47 0.11 0.02 0.00 0.00 177.57 178.48 1s5e h LYS 219 N 0.17 0.81 -0.39 1.57 1.57 -1.13 -0.42 116.57 118.75 1s5e h LYS 219 Ca 0.07 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1s5e h LYS 219 Cb 0.27 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1s5e h LYS 219 CO 0.00 0.53 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.19 1s5e h ARG 220 N 0.83 0.78 0.03 3.15 2.43 -1.12 0.14 114.38 120.62 1s5e h ARG 220 Ca 0.37 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1s5e h ARG 220 Cb 0.25 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1s5e h ARG 220 CO -0.21 0.93 -0.01 0.37 -1.51 0.00 0.00 179.97 179.54 1s5e h GLN 221 N 0.58 -0.04 -0.01 0.20 5.75 -1.00 -2.70 115.11 117.89 1s5e h GLN 221 Ca 0.09 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.54 1s5e h GLN 221 Cb 0.67 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.23 1s5e h GLN 221 CO 0.05 0.47 -0.21 0.82 -2.65 0.00 0.00 178.83 177.31 1s5e h ILE 222 N -0.57 1.53 0.00 2.39 1.08 -1.03 -2.97 117.51 117.93 1s5e h ILE 222 Ca -0.00 -1.85 -0.04 0.00 -0.39 0.00 0.00 64.86 62.58 1s5e h ILE 222 Cb 0.53 2.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.94 1s5e h ILE 222 CO 0.01 0.50 -0.17 -0.26 -0.69 0.00 0.00 178.15 177.54 1s5e h PHE 223 N -0.48 0.00 -0.07 1.37 0.04 -0.87 -2.34 116.94 114.59 1s5e h PHE 223 Ca -0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1s5e h PHE 223 Cb 0.94 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.09 1s5e h PHE 223 CO 0.17 0.17 0.00 0.77 -0.60 0.00 0.00 178.31 178.83 1s5e h SER 224 N 0.00 0.11 -0.82 2.17 0.02 -1.54 -2.79 113.55 110.71 1s5e h SER 224 Ca -0.00 -0.29 0.17 0.00 -0.84 0.00 0.00 61.79 60.83 1s5e h SER 224 Cb 0.80 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.20 1s5e h SER 224 CO 0.02 0.38 0.35 1.23 -1.14 0.00 0.00 176.83 177.67 1s5e h GLY 225 N -0.15 1.31 2.00 -3.77 0.00 -1.31 -0.73 103.07 100.41 1s5e h GLY 225 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1s5e h GLY 225 CO 0.00 -0.15 0.00 -0.97 0.00 0.00 0.00 176.54 175.42 1s5e h TYR 226 N 0.45 0.00 -0.31 5.60 -1.99 -1.25 -2.42 116.97 117.05 1s5e h TYR 226 Ca 0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.20 1s5e h TYR 226 Cb 0.78 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.51 1s5e h TYR 226 CO -0.15 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.05 1s5e n GLN 227 N -2.88 3.07 -0.10 4.88 6.02 -0.30 -4.55 117.38 123.52 1s5e n GLN 227 Ca -0.01 -2.70 0.08 0.00 -0.01 0.00 0.00 57.00 54.36 1s5e n GLN 227 Cb 0.16 -1.75 0.28 0.00 1.02 0.00 0.00 30.24 29.96 1s5e n GLN 227 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1s5e n SER 228 N -0.15 1.45 0.01 1.08 3.41 -0.91 -3.42 113.62 115.08 1s5e n SER 228 Ca 0.20 -1.81 0.12 0.00 -0.26 0.00 0.00 58.87 57.12 1s5e n SER 228 Cb 0.81 -0.14 0.28 0.00 -0.26 0.00 0.00 64.21 64.90 1s5e n SER 228 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1s5e n ASP 229 N 0.23 0.47 -4.73 4.04 5.75 -1.26 -4.96 116.55 116.09 1s5e n ASP 229 Ca 0.13 -0.13 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 1s5e n ASP 229 Cb 0.27 0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 1s5e n ASP 229 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1s5e s ILE 230 N -3.02 2.90 -0.31 2.12 1.01 -1.22 -4.98 121.20 117.70 1s5e s ILE 230 Ca 0.11 0.71 -0.00 0.00 0.00 0.00 0.00 60.65 61.47 1s5e s ILE 230 Cb 0.17 -3.45 0.10 0.00 0.01 0.00 0.00 42.46 39.29 1s5e s ILE 230 CO 0.69 0.09 0.08 -0.62 0.00 0.00 0.00 174.94 175.18 1s5e s ASP 231 N 0.66 4.11 0.18 3.58 2.15 -1.26 -5.02 116.67 121.06 1s5e s ASP 231 Ca 0.62 -1.68 -0.14 0.00 0.43 0.00 0.00 52.55 51.78 1s5e s ASP 231 Cb -0.40 -0.98 0.17 0.00 -0.30 0.00 0.00 42.92 41.41 1s5e s ASP 231 CO 0.37 -0.40 1.71 0.74 -0.17 0.00 0.00 175.17 177.42 1s5e h THR 232 N 6.51 0.72 -0.96 1.71 2.02 -1.96 -3.02 112.91 117.92 1s5e h THR 232 Ca -0.12 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.04 1s5e h THR 232 Cb 1.02 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 1s5e h THR 232 CO 0.47 0.04 0.62 -0.74 0.37 0.00 0.00 175.52 176.28 1s5e h HIS 233 N 0.20 1.16 0.00 3.16 6.17 -2.04 -1.67 115.15 122.14 1s5e h HIS 233 Ca 0.23 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.34 1s5e h HIS 233 Cb 0.32 -0.38 -0.00 0.00 2.52 0.00 0.00 27.41 29.86 1s5e h HIS 233 CO -0.24 0.64 -0.03 -0.91 0.71 0.00 0.00 177.93 178.11 1s5e h ASN 234 N 1.18 0.00 -0.01 3.26 -0.26 -1.98 -3.57 115.58 114.19 1s5e h ASN 234 Ca 0.40 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.14 1s5e h ASN 234 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1s5e h ASN 234 CO -0.14 0.03 0.00 0.54 -1.06 0.00 0.00 177.43 176.79