#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fds s MET 2 N 0.00 1.56 -0.24 2.12 0.00 -1.14 -2.82 119.30 118.77 3fds s MET 2 Ca 0.00 -1.84 -0.20 0.00 0.00 0.00 0.00 55.69 53.66 3fds s MET 2 Cb 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 34.83 34.07 3fds s MET 2 CO 0.00 -0.14 0.63 0.21 0.00 0.00 0.00 175.02 175.72 3fds s LYS 3 N -3.87 0.71 -0.22 3.16 2.20 -0.39 -2.10 119.74 119.23 3fds s LYS 3 Ca 0.34 0.95 -0.11 0.00 -0.36 0.00 0.00 55.97 56.79 3fds s LYS 3 Cb 0.07 0.28 0.08 0.00 -1.51 0.00 0.00 37.83 36.75 3fds s LYS 3 CO 0.13 -0.11 0.52 0.00 -0.36 0.00 0.00 175.35 175.54 3fds s ALA 4 N 0.71 -1.42 -0.10 3.13 0.00 -0.08 0.39 121.76 124.39 3fds s ALA 4 Ca -0.03 1.88 -0.18 0.00 0.00 0.00 0.00 51.96 53.63 3fds s ALA 4 Cb -0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 3fds s ALA 4 CO -0.05 -0.46 0.47 0.21 0.00 0.00 0.00 175.76 175.93 3fds s LYS 5 N 1.86 4.28 -0.18 0.00 2.20 -0.57 -0.29 119.74 127.04 3fds s LYS 5 Ca -0.08 0.45 -0.21 0.00 -0.36 0.00 0.00 55.97 55.77 3fds s LYS 5 Cb -0.08 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 3fds s LYS 5 CO -0.16 0.24 0.64 0.08 -0.36 0.00 0.00 175.35 175.80 3fds s VAL 6 N 0.34 5.02 0.10 4.02 1.01 -0.07 0.28 120.40 131.10 3fds s VAL 6 Ca 0.26 1.22 -0.09 0.00 0.00 0.00 0.00 61.98 63.36 3fds s VAL 6 Cb -0.15 -3.96 -0.22 0.00 0.00 0.00 0.00 36.38 32.05 3fds s VAL 6 CO 0.11 0.13 1.22 0.16 0.00 0.00 0.00 175.10 176.72 3fds h ILE 7 N 5.12 1.34 -3.48 2.22 3.07 -1.88 -3.40 117.51 120.49 3fds h ILE 7 Ca -0.33 -2.41 -0.66 0.00 1.55 0.00 0.00 64.86 63.01 3fds h ILE 7 Cb 1.15 2.47 -0.39 0.00 -0.27 0.00 0.00 36.82 39.78 3fds h ILE 7 CO 0.77 0.73 -0.57 -0.62 -1.05 0.00 0.00 178.15 177.41 3fds s ASP 8 N -7.21 4.69 0.51 2.16 -1.08 -1.26 -4.96 116.67 109.51 3fds s ASP 8 Ca -0.08 -2.75 0.28 0.00 -0.52 0.00 0.00 52.55 49.48 3fds s ASP 8 Cb 0.08 -1.71 1.34 0.00 -1.46 0.00 0.00 42.92 41.17 3fds s ASP 8 CO 0.90 -0.31 2.01 0.00 0.52 0.00 0.00 175.17 178.28 3fds h ALA 9 N 6.94 1.16 0.01 3.66 0.00 -1.94 -2.10 119.26 126.99 3fds h ALA 9 Ca -0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3fds h ALA 9 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3fds h ALA 9 CO 0.67 0.17 -0.20 0.28 0.00 0.00 0.00 179.25 180.16 3fds h VAL 10 N 0.00 1.59 -0.61 0.00 2.07 -1.94 0.07 116.25 117.43 3fds h VAL 10 Ca -0.00 -2.01 0.08 0.00 0.82 0.00 0.00 66.70 65.59 3fds h VAL 10 Cb 0.46 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 33.05 3fds h VAL 10 CO 0.02 0.54 0.28 -1.28 0.02 0.00 0.00 177.57 177.15 3fds h SER 11 N -0.61 0.36 -0.32 0.57 0.87 -1.66 -0.89 113.55 111.87 3fds h SER 11 Ca -0.03 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3fds h SER 11 Cb 1.00 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 3fds h SER 11 CO 0.04 0.23 0.14 0.15 -0.53 0.00 0.00 176.83 176.85 3fds h PHE 12 N 0.51 0.25 -0.66 2.24 3.57 -1.20 -1.73 116.94 119.93 3fds h PHE 12 Ca 0.29 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 3fds h PHE 12 Cb 0.28 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3fds h PHE 12 CO -0.12 0.12 0.33 0.77 -2.23 0.00 0.00 178.31 177.17 3fds h SER 13 N 0.29 0.84 0.49 0.41 0.02 -0.30 -2.36 113.55 112.94 3fds h SER 13 Ca 0.14 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.82 3fds h SER 13 Cb 0.08 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3fds h SER 13 CO -0.12 0.71 -0.79 1.88 -1.14 0.00 0.00 176.83 177.37 3fds h TYR 14 N 0.93 0.32 0.32 3.45 -1.99 -0.94 -1.42 116.97 117.65 3fds h TYR 14 Ca 0.23 -0.16 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 3fds h TYR 14 Cb 0.08 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.77 3fds h TYR 14 CO 0.01 0.92 -0.15 0.82 -0.00 0.00 0.00 178.16 179.76 3fds h ILE 15 N 0.14 0.70 -0.14 -2.88 2.04 -1.12 -1.87 117.51 114.38 3fds h ILE 15 Ca -0.03 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3fds h ILE 15 Cb 1.38 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3fds h ILE 15 CO 0.12 0.02 -0.14 -0.07 0.00 0.00 0.00 178.15 178.08 3fds h LEU 16 N -0.47 0.22 -0.63 1.44 4.07 -1.39 -0.67 115.31 117.87 3fds h LEU 16 Ca -0.04 -0.04 -0.05 0.00 0.08 0.00 0.00 57.88 57.82 3fds h LEU 16 Cb 0.36 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 3fds h LEU 16 CO 0.07 0.38 0.19 0.03 -1.08 0.00 0.00 178.44 178.04 3fds h ARG 17 N 0.22 0.98 -0.27 1.13 3.08 -1.25 -0.27 114.38 118.00 3fds h ARG 17 Ca 0.04 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 3fds h ARG 17 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3fds h ARG 17 CO 0.02 0.86 0.11 1.15 -1.07 0.00 0.00 179.97 181.04 3fds h THR 18 N 0.90 1.18 -0.54 2.04 2.02 -0.68 -2.41 112.91 115.41 3fds h THR 18 Ca 0.20 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.91 3fds h THR 18 Cb 0.29 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.67 3fds h THR 18 CO -0.01 0.18 0.23 0.58 0.37 0.00 0.00 175.52 176.88 3fds h VAL 19 N 0.29 0.87 0.00 3.16 2.07 -1.06 -1.70 116.25 119.88 3fds h VAL 19 Ca 0.09 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3fds h VAL 19 Cb 0.18 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3fds h VAL 19 CO -0.01 0.08 0.00 1.23 0.02 0.00 0.00 177.57 178.89 3fds h GLY 20 N 0.44 0.00 2.00 2.17 0.00 -0.68 0.10 103.07 107.11 3fds h GLY 20 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3fds h GLY 20 CO -0.22 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.77 3fds h ASP 21 N 0.00 0.00 0.00 0.19 3.45 -0.82 -3.35 116.42 115.89 3fds h ASP 21 Ca 0.00 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.32 3fds h ASP 21 Cb 0.19 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.93 3fds h ASP 21 CO 0.00 0.00 -1.53 0.49 -1.57 0.00 0.00 179.24 176.63 3fds n PHE 22 N -2.83 0.00 -5.23 4.55 3.01 -0.31 -5.04 117.46 111.62 3fds n PHE 22 Ca 0.02 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.17 3fds n PHE 22 Cb 0.35 -0.37 -0.16 0.00 -0.01 0.00 0.00 39.48 39.29 3fds n PHE 22 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3fds s LEU 23 N -5.02 2.16 0.02 4.37 1.43 0.21 -4.27 118.68 117.59 3fds s LEU 23 Ca -0.08 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 3fds s LEU 23 Cb 0.03 -1.39 -0.30 0.00 0.03 0.00 0.00 46.19 44.56 3fds s LEU 23 CO 0.27 0.29 0.94 0.28 0.23 0.00 0.00 176.35 178.36 3fds h SER 24 N 5.70 0.53 -5.10 2.29 0.02 -1.87 -3.38 113.55 111.73 3fds h SER 24 Ca -0.39 -0.65 -0.09 0.00 -0.84 0.00 0.00 61.79 59.82 3fds h SER 24 Cb 1.15 -0.17 -0.15 0.00 0.14 0.00 0.00 62.40 63.36 3fds h SER 24 CO 0.48 1.53 -0.33 -1.83 -1.14 0.00 0.00 176.83 175.54 3fds s GLU 25 N -2.62 0.81 0.26 3.45 -1.05 -1.26 -1.12 118.70 117.17 3fds s GLU 25 Ca -0.09 -0.75 -0.18 0.00 -0.15 0.00 0.00 54.97 53.80 3fds s GLU 25 Cb 0.06 0.34 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 3fds s GLU 25 CO 0.88 -0.26 0.62 0.00 0.95 0.00 0.00 175.26 177.46 3fds s ALA 26 N -3.22 -0.91 -0.15 -0.84 0.00 -0.51 -4.92 121.76 111.21 3fds s ALA 26 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 3fds s ALA 26 Cb 0.02 0.92 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 3fds s ALA 26 CO -0.08 -0.95 -0.05 -0.80 0.00 0.00 0.00 175.76 173.88 3fds s ASN 27 N -2.94 4.66 -0.09 0.00 0.02 -1.26 -0.78 114.94 114.56 3fds s ASN 27 Ca 0.14 -0.17 -0.30 0.00 -1.02 0.00 0.00 52.86 51.52 3fds s ASN 27 Cb -0.04 -1.76 -0.03 0.00 0.02 0.00 0.00 41.25 39.44 3fds s ASN 27 CO 0.06 0.16 1.35 -0.36 0.02 0.00 0.00 177.10 178.33 3fds s PHE 28 N 0.38 2.78 -0.40 2.20 2.99 0.09 -4.42 117.98 121.60 3fds s PHE 28 Ca -0.05 0.87 -0.15 0.00 0.00 0.00 0.00 56.93 57.60 3fds s PHE 28 Cb -0.14 -3.59 0.02 0.00 0.00 0.00 0.00 43.02 39.30 3fds s PHE 28 CO 0.03 -2.15 0.30 0.42 -0.00 0.00 0.00 175.22 173.83 3fds s ILE 29 N 3.08 5.25 -0.18 0.64 -1.09 0.84 0.03 121.20 129.77 3fds s ILE 29 Ca 0.60 -0.58 -0.03 0.00 -2.23 0.00 0.00 60.65 58.41 3fds s ILE 29 Cb -0.26 -3.91 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 3fds s ILE 29 CO 0.21 -0.28 -0.05 -0.69 -1.23 0.00 0.00 174.94 172.90 3fds s VAL 30 N 1.72 3.53 0.33 2.92 1.01 0.68 -1.13 120.40 129.46 3fds s VAL 30 Ca 0.06 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3fds s VAL 30 Cb -0.19 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3fds s VAL 30 CO 0.10 0.46 0.19 0.42 0.00 0.00 0.00 175.10 176.28 3fds s THR 31 N 0.88 0.25 0.33 3.92 -4.23 -0.61 -0.72 115.64 115.46 3fds s THR 31 Ca -0.01 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.76 3fds s THR 31 Cb -0.15 -2.46 0.28 0.00 1.34 0.00 0.00 72.50 71.50 3fds s THR 31 CO 0.01 0.00 2.00 0.07 -0.54 0.00 0.00 174.62 176.16 3fds h LYS 32 N 2.10 0.00 -0.09 3.99 2.10 -1.85 -1.83 116.57 120.99 3fds h LYS 32 Ca -0.31 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.32 3fds h LYS 32 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 3fds h LYS 32 CO 0.47 0.15 -0.06 0.93 -2.00 0.00 0.00 179.45 178.95 3fds h GLU 33 N 0.00 0.13 0.00 0.07 5.08 -1.96 -3.41 114.58 114.49 3fds h GLU 33 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3fds h GLU 33 Cb 0.46 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3fds h GLU 33 CO 0.02 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.64 3fds n GLY 34 N -1.19 0.68 3.15 -3.84 0.00 -0.69 0.11 105.19 103.41 3fds n GLY 34 Ca -0.02 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 3fds n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fds s ILE 35 N -3.48 1.91 -0.01 -0.61 1.01 0.65 -1.57 121.20 119.11 3fds s ILE 35 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.80 3fds s ILE 35 Cb 0.00 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3fds s ILE 35 CO 0.00 0.52 -0.15 -0.60 0.00 0.00 0.00 174.94 174.71 3fds s ARG 36 N 0.76 2.33 -0.08 2.79 3.52 -0.29 -0.49 118.95 127.50 3fds s ARG 36 Ca -0.09 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.68 3fds s ARG 36 Cb -0.16 -2.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.95 3fds s ARG 36 CO 0.00 0.59 -0.02 0.08 -0.81 0.00 0.00 175.30 175.14 3fds s VAL 37 N -0.83 0.54 0.08 7.11 1.01 -0.52 -0.11 120.40 127.67 3fds s VAL 37 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3fds s VAL 37 Cb -0.11 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3fds s VAL 37 CO 0.03 0.28 -0.08 -0.94 0.00 0.00 0.00 175.10 174.39 3fds s SER 38 N 1.82 1.16 0.00 3.32 1.04 -1.26 -0.11 113.70 119.67 3fds s SER 38 Ca 0.04 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3fds s SER 38 Cb -0.12 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3fds s SER 38 CO -0.05 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.49 3fds n GLY 39 N 0.76 0.25 3.37 7.32 0.00 -0.83 -4.75 105.19 111.31 3fds n GLY 39 Ca -0.18 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 3fds n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fds s ILE 40 N -2.00 2.48 0.98 -0.61 1.01 -1.26 -0.66 121.20 121.13 3fds s ILE 40 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 3fds s ILE 40 Cb 0.00 -1.92 0.18 0.00 0.01 0.00 0.00 42.46 40.73 3fds s ILE 40 CO 0.00 0.58 1.11 1.51 0.00 0.00 0.00 174.94 178.14 3fds s ASP 41 N -0.60 2.86 0.27 3.58 -4.77 -0.20 -4.89 116.67 112.93 3fds s ASP 41 Ca 0.09 1.06 -0.04 0.00 -3.30 0.00 0.00 52.55 50.36 3fds s ASP 41 Cb -0.11 -1.67 0.36 0.00 -1.09 0.00 0.00 42.92 40.41 3fds s ASP 41 CO 0.00 -2.97 1.93 -0.65 0.70 0.00 0.00 175.17 174.18 3fds h PRO 42 N -1.78 1.20 0.00 2.11 0.11 -1.93 -1.15 132.00 130.56 3fds h PRO 42 Ca -0.53 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3fds h PRO 42 Cb 1.33 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3fds h PRO 42 CO 0.59 0.80 0.00 -1.13 -0.21 0.00 0.00 178.00 178.04 3fds n SER 43 N -4.42 0.54 -1.23 -2.05 3.41 -1.26 -4.89 113.62 103.72 3fds n SER 43 Ca 0.12 0.63 -0.14 0.00 -0.26 0.00 0.00 58.87 59.22 3fds n SER 43 Cb 0.07 -0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 63.23 3fds n SER 43 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fds n ARG 44 N -2.09 -1.03 0.08 4.33 1.74 -0.44 -4.89 116.66 114.36 3fds n ARG 44 Ca 0.03 0.93 -0.21 0.00 -0.77 0.00 0.00 57.85 57.82 3fds n ARG 44 Cb 0.23 -5.08 -0.15 0.00 -1.02 0.00 0.00 32.46 26.44 3fds n ARG 44 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fds h VAL 45 N 0.00 1.04 -3.30 1.55 2.07 -1.90 -3.47 116.25 112.24 3fds h VAL 45 Ca -0.30 -2.61 -0.66 0.00 0.82 0.00 0.00 66.70 63.94 3fds h VAL 45 Cb 1.01 2.80 -0.29 0.00 -1.52 0.00 0.00 31.29 33.29 3fds h VAL 45 CO 0.42 0.84 -0.78 -0.69 0.02 0.00 0.00 177.57 177.39 3fds s VAL 46 N -2.59 2.90 -0.17 2.57 1.01 -1.26 -0.18 120.40 122.68 3fds s VAL 46 Ca -0.13 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3fds s VAL 46 Cb 0.06 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3fds s VAL 46 CO 0.87 0.50 -0.01 0.12 0.00 0.00 0.00 175.10 176.57 3fds s PHE 47 N 0.85 3.06 0.30 5.22 5.36 -0.38 -1.03 117.98 131.36 3fds s PHE 47 Ca -0.04 -0.28 0.10 0.00 -0.96 0.00 0.00 56.93 55.76 3fds s PHE 47 Cb -0.15 -2.01 -0.05 0.00 -0.34 0.00 0.00 43.02 40.47 3fds s PHE 47 CO 0.00 -0.06 -0.08 -0.48 -1.46 0.00 0.00 175.22 173.15 3fds s LEU 48 N 0.52 2.87 -0.29 6.12 0.05 0.16 0.02 118.68 128.13 3fds s LEU 48 Ca -0.02 -0.94 0.02 0.00 0.05 0.00 0.00 54.13 53.25 3fds s LEU 48 Cb -0.14 -1.32 0.19 0.00 -2.05 0.00 0.00 46.19 42.87 3fds s LEU 48 CO 0.02 -0.08 0.58 -0.62 -0.55 0.00 0.00 176.35 175.70 3fds s ASP 49 N -3.62 -1.37 -0.10 1.48 3.68 -0.40 -1.97 116.67 114.37 3fds s ASP 49 Ca 0.32 0.48 -0.02 0.00 2.13 0.00 0.00 52.55 55.46 3fds s ASP 49 Cb -0.03 2.03 -0.03 0.00 -1.45 0.00 0.00 42.92 43.43 3fds s ASP 49 CO 0.18 -0.28 -0.03 -0.63 0.13 0.00 0.00 175.17 174.53 3fds s ILE 50 N 2.82 4.03 -0.20 4.11 -1.09 0.85 -0.58 121.20 131.15 3fds s ILE 50 Ca 0.15 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 3fds s ILE 50 Cb -0.13 -2.70 0.05 0.00 -1.58 0.00 0.00 42.46 38.10 3fds s ILE 50 CO -0.24 0.57 -0.08 0.12 -1.23 0.00 0.00 174.94 174.09 3fds s PHE 51 N -0.51 2.18 -0.46 3.97 5.36 -0.16 -1.44 117.98 126.92 3fds s PHE 51 Ca 0.08 -1.46 -0.14 0.00 -0.96 0.00 0.00 56.93 54.45 3fds s PHE 51 Cb -0.12 -1.52 0.07 0.00 -0.34 0.00 0.00 43.02 41.11 3fds s PHE 51 CO 0.02 -0.71 0.36 -0.51 -1.46 0.00 0.00 175.22 172.92 3fds s LEU 52 N 1.47 5.50 0.81 6.12 1.43 0.36 -2.22 118.68 132.15 3fds s LEU 52 Ca -0.02 -1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 51.63 3fds s LEU 52 Cb -0.16 -2.14 0.08 0.00 0.03 0.00 0.00 46.19 43.99 3fds s LEU 52 CO -0.08 -0.61 1.09 -2.84 0.23 0.00 0.00 176.35 174.14 3fds s PRO 53 N 1.60 1.94 0.48 1.29 0.02 -1.26 -0.25 135.00 138.82 3fds s PRO 53 Ca 0.04 0.91 0.15 0.00 0.02 0.00 0.00 61.00 62.12 3fds s PRO 53 Cb -0.24 -1.88 1.15 0.00 0.02 0.00 0.00 34.50 33.55 3fds s PRO 53 CO 0.06 -1.79 2.06 0.66 -0.33 0.00 0.00 177.00 177.66 3fds h SER 54 N -1.22 0.19 0.35 2.53 4.64 -0.56 0.98 113.55 120.45 3fds h SER 54 Ca -0.46 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3fds h SER 54 Cb 1.25 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3fds h SER 54 CO 0.55 0.13 0.00 0.28 -0.87 0.00 0.00 176.83 176.91 3fds h SER 55 N 0.22 0.00 0.80 4.97 0.02 -1.90 -0.97 113.55 116.68 3fds h SER 55 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3fds h SER 55 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3fds h SER 55 CO -0.03 0.00 0.00 0.22 -1.14 0.00 0.00 176.83 175.88 3fds h TYR 56 N 0.00 0.00 -1.69 3.45 5.03 -1.13 -3.45 116.97 119.19 3fds h TYR 56 Ca 0.00 0.00 -0.61 0.00 2.58 0.00 0.00 58.73 60.70 3fds h TYR 56 Cb 0.17 0.00 -0.12 0.00 1.55 0.00 0.00 36.73 38.33 3fds h TYR 56 CO 0.00 0.00 -0.58 -0.06 -1.32 0.00 0.00 178.16 176.20 3fds s PHE 57 N -3.44 2.53 0.03 -3.82 0.40 -0.37 -3.65 117.98 109.67 3fds s PHE 57 Ca 0.03 -0.62 0.05 0.00 -0.60 0.00 0.00 56.93 55.79 3fds s PHE 57 Cb 0.09 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 3fds s PHE 57 CO 0.43 0.40 -0.09 -1.21 0.70 0.00 0.00 175.22 175.46 3fds s GLU 58 N -3.75 2.39 -1.41 0.44 2.02 0.14 -4.74 118.70 113.80 3fds s GLU 58 Ca 0.36 -0.83 -0.07 0.00 0.02 0.00 0.00 54.97 54.46 3fds s GLU 58 Cb 0.07 -2.41 0.04 0.00 0.10 0.00 0.00 34.13 31.93 3fds s GLU 58 CO 0.19 0.57 0.87 0.41 0.02 0.00 0.00 175.26 177.32 3fds n GLY 59 N 1.37 -0.40 3.65 -1.39 0.00 -1.26 -1.52 105.19 105.65 3fds n GLY 59 Ca -0.15 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3fds n GLY 59 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fds s PHE 60 N -3.48 2.57 -0.01 1.61 5.36 -1.26 -4.39 117.98 118.39 3fds s PHE 60 Ca 0.34 0.77 0.03 0.00 -0.96 0.00 0.00 56.93 57.11 3fds s PHE 60 Cb -0.17 -3.68 -0.01 0.00 -0.34 0.00 0.00 43.02 38.82 3fds s PHE 60 CO 0.81 -2.29 -0.11 -1.83 -1.46 0.00 0.00 175.22 170.35 3fds s GLU 61 N 3.80 0.89 0.31 10.12 -1.05 0.16 -4.98 118.70 127.95 3fds s GLU 61 Ca 0.60 -0.38 0.06 0.00 -0.15 0.00 0.00 54.97 55.10 3fds s GLU 61 Cb -0.24 -0.85 -0.06 0.00 -0.44 0.00 0.00 34.13 32.54 3fds s GLU 61 CO 0.20 0.22 -0.02 0.14 0.95 0.00 0.00 175.26 176.76 3fds s VAL 62 N -0.21 1.56 0.00 1.83 -7.23 -1.26 -1.26 120.40 113.83 3fds s VAL 62 Ca 0.03 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 3fds s VAL 62 Cb -0.05 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.27 3fds s VAL 62 CO -0.00 -0.17 0.49 -1.54 -0.31 0.00 0.00 175.10 173.57 3fds n SER 63 N -0.66 0.94 -3.68 4.85 3.41 -1.13 -4.96 113.62 112.39 3fds n SER 63 Ca -0.04 -1.17 -0.14 0.00 -0.26 0.00 0.00 58.87 57.25 3fds n SER 63 Cb 0.65 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.51 3fds n SER 63 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3fds s GLN 64 N -0.17 0.71 0.38 4.33 0.74 -1.26 -4.94 119.66 119.45 3fds s GLN 64 Ca 0.00 0.28 0.20 0.00 0.05 0.00 0.00 55.36 55.89 3fds s GLN 64 Cb 0.00 0.33 0.61 0.00 1.10 0.00 0.00 33.01 35.05 3fds s GLN 64 CO 0.00 -0.17 1.69 1.05 -0.55 0.00 0.00 175.29 177.32 3fds h GLU 65 N 4.33 0.00 -2.86 1.67 9.09 -1.98 -3.44 114.58 121.39 3fds h GLU 65 Ca -0.28 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 58.94 3fds h GLU 65 Cb 1.17 0.00 -0.31 0.00 -1.65 0.00 0.00 28.75 27.96 3fds h GLU 65 CO 0.31 0.34 -0.49 0.21 0.05 0.00 0.00 179.01 179.43 3fds s LYS 66 N -3.44 0.19 -0.12 1.06 2.47 -1.26 -4.40 119.74 114.23 3fds s LYS 66 Ca 0.01 0.72 0.02 0.00 -1.56 0.00 0.00 55.97 55.16 3fds s LYS 66 Cb 0.10 -0.03 0.01 0.00 -1.46 0.00 0.00 37.83 36.45 3fds s LYS 66 CO 0.68 -0.24 -0.17 -2.00 0.16 0.00 0.00 175.35 173.78 3fds s GLU 67 N 2.05 2.45 -0.28 4.03 2.12 0.10 -4.97 118.70 124.21 3fds s GLU 67 Ca -0.03 -0.64 -0.06 0.00 0.36 0.00 0.00 54.97 54.60 3fds s GLU 67 Cb -0.11 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.21 3fds s GLU 67 CO -0.09 -0.07 0.06 0.42 -0.54 0.00 0.00 175.26 175.04 3fds s ILE 68 N 1.01 3.94 -0.36 -3.70 1.01 -1.26 -0.23 121.20 121.62 3fds s ILE 68 Ca -0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 3fds s ILE 68 Cb -0.15 -2.97 0.08 0.00 0.01 0.00 0.00 42.46 39.43 3fds s ILE 68 CO -0.03 0.16 0.11 -0.63 0.00 0.00 0.00 174.94 174.55 3fds s ILE 69 N 1.51 3.09 0.14 2.92 1.01 0.11 -4.96 121.20 125.02 3fds s ILE 69 Ca 0.04 -1.79 -0.26 0.00 0.00 0.00 0.00 60.65 58.64 3fds s ILE 69 Cb -0.16 -2.99 -0.07 0.00 0.01 0.00 0.00 42.46 39.24 3fds s ILE 69 CO 0.02 -0.44 0.79 -0.83 0.00 0.00 0.00 174.94 174.48 3fds s GLY 70 N 1.50 2.91 0.10 6.18 0.00 -1.25 -0.73 107.32 116.03 3fds s GLY 70 Ca 0.03 0.37 -0.15 0.00 0.00 0.00 0.00 44.72 44.96 3fds s GLY 70 CO -0.03 0.96 0.37 -0.11 0.00 0.00 0.00 173.10 174.29 3fds s PHE 71 N -0.85 -0.16 -0.23 1.90 -0.12 0.04 -2.33 117.98 116.23 3fds s PHE 71 Ca 0.37 -0.10 -0.14 0.00 -0.05 0.00 0.00 56.93 57.01 3fds s PHE 71 Cb -0.23 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 3fds s PHE 71 CO 0.26 -0.64 0.30 0.21 -0.05 0.00 0.00 175.22 175.30 3fds s LYS 72 N -3.47 4.11 0.16 1.99 2.20 -1.26 -1.43 119.74 122.04 3fds s LYS 72 Ca 0.01 -0.01 -0.15 0.00 -0.36 0.00 0.00 55.97 55.46 3fds s LYS 72 Cb 0.02 -3.56 0.10 0.00 -1.51 0.00 0.00 37.83 32.88 3fds s LYS 72 CO -0.09 -0.04 1.73 -0.07 -0.36 0.00 0.00 175.35 176.51 3fds h LEU 73 N 7.74 0.01 -0.94 5.43 4.07 -1.40 -2.27 115.31 127.95 3fds h LEU 73 Ca -0.36 0.07 0.08 0.00 0.08 0.00 0.00 57.88 57.74 3fds h LEU 73 Cb 1.17 0.09 -0.07 0.00 1.08 0.00 0.00 40.66 42.93 3fds h LEU 73 CO 0.68 0.04 0.59 -0.08 -1.08 0.00 0.00 178.44 178.59 3fds h GLU 74 N 0.21 1.00 -0.14 1.13 4.81 -1.89 0.22 114.58 119.91 3fds h GLU 74 Ca 0.19 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3fds h GLU 74 Cb 0.23 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3fds h GLU 74 CO -0.25 0.66 0.02 -0.44 -0.73 0.00 0.00 179.01 178.27 3fds h ASP 75 N 1.03 0.22 -0.35 1.04 3.32 -1.81 -0.40 116.42 119.47 3fds h ASP 75 Ca 0.42 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3fds h ASP 75 Cb 0.26 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3fds h ASP 75 CO -0.20 0.43 0.18 0.58 -1.72 0.00 0.00 179.24 178.51 3fds h VAL 76 N 0.01 1.15 -0.26 -1.35 2.07 -1.26 -2.32 116.25 114.29 3fds h VAL 76 Ca 0.04 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 3fds h VAL 76 Cb 0.30 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3fds h VAL 76 CO 0.00 0.15 -0.16 0.78 0.02 0.00 0.00 177.57 178.37 3fds h ASN 77 N 0.43 0.43 -0.59 0.57 2.35 -0.55 0.26 115.58 118.49 3fds h ASN 77 Ca 0.12 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3fds h ASN 77 Cb 0.08 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3fds h ASN 77 CO -0.02 0.61 0.27 0.44 -1.65 0.00 0.00 177.43 177.08 3fds h ASP 78 N 0.41 0.78 -0.31 5.81 3.32 -0.94 -2.24 116.42 123.25 3fds h ASP 78 Ca 0.07 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3fds h ASP 78 Cb 0.52 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3fds h ASP 78 CO 0.03 0.71 -0.12 0.40 -1.72 0.00 0.00 179.24 178.54 3fds h ILE 79 N 0.81 1.29 0.00 0.35 2.04 -1.00 -3.16 117.51 117.83 3fds h ILE 79 Ca 0.20 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 3fds h ILE 79 Cb 0.14 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3fds h ILE 79 CO -0.02 0.39 -0.07 -0.07 0.00 0.00 0.00 178.15 178.37 3fds h LEU 80 N 0.40 0.00 -0.38 1.44 3.38 -0.73 0.54 115.31 119.97 3fds h LEU 80 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3fds h LEU 80 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3fds h LEU 80 CO 0.04 0.07 0.00 0.29 0.09 0.00 0.00 178.44 178.93 3fds n LYS 81 N -4.14 0.07 0.00 1.13 5.02 -0.86 -2.21 118.16 117.16 3fds n LYS 81 Ca -0.03 0.41 0.14 0.00 -2.02 0.00 0.00 58.31 56.81 3fds n LYS 81 Cb 0.16 -1.65 0.48 0.00 -0.02 0.00 0.00 35.03 33.99 3fds n LYS 81 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fds n ARG 82 N -1.78 0.97 -1.75 1.97 5.12 0.18 -4.92 116.66 116.45 3fds n ARG 82 Ca 0.02 -0.51 -0.42 0.00 -1.93 0.00 0.00 57.85 55.01 3fds n ARG 82 Cb 0.12 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 29.92 3fds n ARG 82 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 3fds n VAL 83 N -0.57 1.35 -3.49 1.55 3.14 -0.94 -5.02 118.33 114.35 3fds n VAL 83 Ca 0.14 -0.34 -0.19 0.00 -2.96 0.00 0.00 64.34 60.99 3fds n VAL 83 Cb 0.32 -1.95 -0.00 0.00 -1.06 0.00 0.00 33.84 31.15 3fds n VAL 83 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3fds s LEU 84 N -0.98 3.99 0.18 6.55 1.02 -1.26 -5.04 118.68 123.15 3fds s LEU 84 Ca 0.60 -0.13 -0.22 0.00 0.02 0.00 0.00 54.13 54.41 3fds s LEU 84 Cb -0.49 -2.79 0.10 0.00 0.02 0.00 0.00 46.19 43.03 3fds s LEU 84 CO 0.54 -0.41 1.58 0.50 0.02 0.00 0.00 176.35 178.58 3fds h LYS 85 N 0.89 -0.17 -0.79 1.70 3.64 -2.03 -2.19 116.57 117.62 3fds h LYS 85 Ca -0.46 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 58.77 3fds h LYS 85 Cb 1.25 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 33.02 3fds h LYS 85 CO 0.54 -0.12 0.20 -0.25 -2.27 0.00 0.00 179.45 177.55 3fds n ASP 86 N -5.43 4.40 -4.80 4.20 10.43 -1.26 -4.98 116.55 119.11 3fds n ASP 86 Ca 0.03 -2.96 -0.37 0.00 2.57 0.00 0.00 54.79 54.06 3fds n ASP 86 Cb 0.35 -0.70 -0.06 0.00 1.84 0.00 0.00 41.12 42.55 3fds n ASP 86 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3fds s ASP 87 N -0.71 7.20 -0.10 -2.24 -0.00 -0.83 -4.57 116.67 115.42 3fds s ASP 87 Ca 0.45 1.58 -0.11 0.00 -0.00 0.00 0.00 52.55 54.47 3fds s ASP 87 Cb 0.36 -2.48 -0.05 0.00 -0.00 0.00 0.00 42.92 40.75 3fds s ASP 87 CO 0.11 0.04 0.25 -0.89 -0.00 0.00 0.00 175.17 174.69 3fds s THR 88 N -1.47 5.32 -0.19 -1.27 2.01 0.18 -4.89 115.64 115.33 3fds s THR 88 Ca 0.43 0.46 -0.10 0.00 0.31 0.00 0.00 61.69 62.80 3fds s THR 88 Cb -0.19 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 3fds s THR 88 CO 0.23 0.54 0.13 -0.22 -0.69 0.00 0.00 174.62 174.61 3fds s LEU 89 N -0.59 4.20 -0.11 4.42 2.96 -1.26 -0.70 118.68 127.60 3fds s LEU 89 Ca 0.17 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 3fds s LEU 89 Cb -0.13 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.49 3fds s LEU 89 CO 0.06 0.20 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.52 3fds s ILE 90 N 0.27 1.41 -0.03 6.68 1.09 0.38 -0.89 121.20 130.11 3fds s ILE 90 Ca 0.08 -0.58 -0.13 0.00 -1.10 0.00 0.00 60.65 58.91 3fds s ILE 90 Cb -0.11 -1.31 -0.05 0.00 -1.06 0.00 0.00 42.46 39.93 3fds s ILE 90 CO -0.01 0.43 0.36 -0.76 -0.10 0.00 0.00 174.94 174.85 3fds s LEU 91 N 1.08 4.45 0.15 2.97 1.02 0.60 -1.35 118.68 127.59 3fds s LEU 91 Ca -0.05 0.86 -0.12 0.00 0.02 0.00 0.00 54.13 54.83 3fds s LEU 91 Cb -0.15 -2.49 0.01 0.00 0.02 0.00 0.00 46.19 43.58 3fds s LEU 91 CO -0.03 0.32 0.34 -0.94 0.02 0.00 0.00 176.35 176.07 3fds s SER 92 N -0.96 -0.07 0.08 2.29 1.04 -0.12 -0.90 113.70 115.05 3fds s SER 92 Ca 0.22 -0.61 -0.13 0.00 0.48 0.00 0.00 55.95 55.91 3fds s SER 92 Cb -0.16 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.44 3fds s SER 92 CO 0.11 -0.88 0.31 -0.94 0.98 0.00 0.00 173.24 172.82 3fds s SER 93 N -2.89 -0.10 0.00 7.02 1.04 -0.89 -0.26 113.70 117.63 3fds s SER 93 Ca 0.09 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.18 3fds s SER 93 Cb 0.02 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3fds s SER 93 CO -0.06 -0.72 0.00 -0.46 0.98 0.00 0.00 173.24 172.99 3fds n ASN 94 N 0.17 0.31 0.25 7.02 2.04 -0.83 -2.89 115.26 121.33 3fds n ASN 94 Ca -0.17 0.00 0.16 0.00 -0.44 0.00 0.00 54.58 54.14 3fds n ASN 94 Cb 0.61 0.00 0.68 0.00 -2.53 0.00 0.00 39.78 38.54 3fds n ASN 94 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 3fds h GLU 95 N 0.00 0.00 0.00 -3.83 3.07 -2.02 -3.34 114.58 108.46 3fds h GLU 95 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3fds h GLU 95 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3fds h GLU 95 CO 0.00 0.00 -0.97 -1.13 -1.40 0.00 0.00 179.01 175.51 3fds n SER 96 N -2.89 4.87 -3.92 1.42 3.41 -1.26 -4.93 113.62 110.33 3fds n SER 96 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.51 3fds n SER 96 Cb 0.27 0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 64.90 3fds n SER 96 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fds s LYS 97 N -1.96 0.24 -0.08 4.33 1.02 -1.26 -1.41 119.74 120.63 3fds s LYS 97 Ca 0.00 -0.32 -0.14 0.00 0.02 0.00 0.00 55.97 55.52 3fds s LYS 97 Cb 0.00 0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 3fds s LYS 97 CO 0.00 -0.04 0.36 -1.17 -0.92 0.00 0.00 175.35 173.57 3fds s LEU 98 N -0.88 4.37 -0.08 3.17 2.96 0.50 -1.96 118.68 126.75 3fds s LEU 98 Ca -0.10 0.75 0.05 0.00 -0.22 0.00 0.00 54.13 54.61 3fds s LEU 98 Cb -0.06 -2.48 -0.00 0.00 0.50 0.00 0.00 46.19 44.14 3fds s LEU 98 CO -0.00 0.22 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.11 3fds s THR 99 N -0.35 2.02 -0.26 3.68 2.01 0.64 -0.50 115.64 122.89 3fds s THR 99 Ca 0.21 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 3fds s THR 99 Cb -0.15 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.64 3fds s THR 99 CO 0.09 0.56 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.80 3fds s LEU 100 N 0.16 3.34 -0.14 4.42 1.43 0.02 -0.94 118.68 126.96 3fds s LEU 100 Ca -0.13 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.21 3fds s LEU 100 Cb -0.16 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 3fds s LEU 100 CO 0.07 -0.13 -0.10 -0.89 0.23 0.00 0.00 176.35 175.53 3fds s THR 101 N 1.40 3.33 -0.30 5.49 2.01 -0.46 -0.48 115.64 126.63 3fds s THR 101 Ca 0.02 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 3fds s THR 101 Cb -0.16 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 3fds s THR 101 CO -0.02 0.51 0.13 -0.36 -0.69 0.00 0.00 174.62 174.19 3fds s PHE 102 N 0.43 3.16 -0.25 4.92 0.40 0.12 -0.47 117.98 126.30 3fds s PHE 102 Ca -0.08 -0.63 -0.04 0.00 -0.60 0.00 0.00 56.93 55.59 3fds s PHE 102 Cb -0.15 -2.32 0.01 0.00 0.51 0.00 0.00 43.02 41.06 3fds s PHE 102 CO 0.04 -0.47 -0.02 0.34 0.70 0.00 0.00 175.22 175.82 3fds s ASP 103 N 1.59 4.52 0.00 1.36 3.68 0.13 -1.92 116.67 126.04 3fds s ASP 103 Ca 0.04 -0.63 0.00 0.00 2.13 0.00 0.00 52.55 54.09 3fds s ASP 103 Cb -0.17 -1.75 0.00 0.00 -1.45 0.00 0.00 42.92 39.55 3fds s ASP 103 CO 0.05 -0.10 0.00 0.61 0.13 0.00 0.00 175.17 175.86 3fds n GLY 104 N 4.77 3.20 0.26 2.66 0.00 -1.26 0.48 105.19 115.31 3fds n GLY 104 Ca -0.17 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 45.95 3fds n GLY 104 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fds h GLU 105 N 0.00 0.00 -3.59 1.61 5.08 -1.94 -3.44 114.58 112.30 3fds h GLU 105 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3fds h GLU 105 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3fds h GLU 105 CO 0.00 0.12 0.03 -0.59 -1.00 0.00 0.00 179.01 177.57 3fds s PHE 106 N -4.07 0.61 -0.13 4.33 -0.71 -1.26 -5.17 117.98 111.58 3fds s PHE 106 Ca -0.02 -1.05 -0.05 0.00 -1.04 0.00 0.00 56.93 54.77 3fds s PHE 106 Cb 0.12 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 3fds s PHE 106 CO 0.58 -1.34 0.05 0.99 -1.34 0.00 0.00 175.22 174.17 3fds s THR 107 N -2.74 4.73 -0.06 -4.49 2.01 -1.26 -4.53 115.64 109.30 3fds s THR 107 Ca 0.23 -0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 3fds s THR 107 Cb -0.03 -3.06 0.04 0.00 0.01 0.00 0.00 72.50 69.46 3fds s THR 107 CO 0.16 0.55 0.12 -0.13 -0.69 0.00 0.00 174.62 174.63 3fds s ARG 108 N -0.43 0.03 0.09 4.92 0.52 -0.81 -5.02 118.95 118.24 3fds s ARG 108 Ca 0.09 0.40 0.09 0.00 -0.52 0.00 0.00 55.73 55.80 3fds s ARG 108 Cb -0.12 -0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.05 3fds s ARG 108 CO 0.02 -0.23 -0.24 -1.12 0.02 0.00 0.00 175.30 173.74 3fds s SER 109 N 1.65 2.96 -0.09 0.23 0.01 -1.26 -0.70 113.70 116.50 3fds s SER 109 Ca -0.03 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.62 3fds s SER 109 Cb -0.12 -0.22 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 3fds s SER 109 CO -0.05 0.17 -0.24 -0.36 0.41 0.00 0.00 173.24 173.18 3fds s PHE 110 N -0.96 2.50 -0.01 2.43 0.40 0.37 -4.99 117.98 117.71 3fds s PHE 110 Ca 0.11 -0.97 0.04 0.00 -0.60 0.00 0.00 56.93 55.50 3fds s PHE 110 Cb -0.10 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 3fds s PHE 110 CO 0.04 -0.38 -0.11 -1.21 0.70 0.00 0.00 175.22 174.26 3fds s GLU 111 N 0.26 2.45 -0.10 0.44 2.02 -1.26 -0.80 118.70 121.71 3fds s GLU 111 Ca -0.16 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.08 3fds s GLU 111 Cb -0.17 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 31.67 3fds s GLU 111 CO 0.08 0.60 -0.10 -0.51 0.02 0.00 0.00 175.26 175.35 3fds s LEU 112 N -1.19 1.38 0.36 1.80 1.43 0.34 -5.00 118.68 117.80 3fds s LEU 112 Ca 0.15 -0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 52.65 3fds s LEU 112 Cb -0.11 -0.88 -0.12 0.00 0.03 0.00 0.00 46.19 45.12 3fds s LEU 112 CO 0.05 -0.07 1.21 -2.65 0.23 0.00 0.00 176.35 175.12 3fds n PRO 113 N 4.58 1.87 -1.84 1.29 -0.02 -1.26 -0.37 135.00 139.25 3fds n PRO 113 Ca -0.16 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 3fds n PRO 113 Cb 0.51 -2.23 0.05 0.00 -0.02 0.00 0.00 33.50 31.81 3fds n PRO 113 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fds s LEU 114 N -0.85 3.69 0.16 2.45 1.43 -0.50 -4.77 118.68 120.30 3fds s LEU 114 Ca 0.58 2.60 0.11 0.00 -1.03 0.00 0.00 54.13 56.38 3fds s LEU 114 Cb -0.58 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.10 3fds s LEU 114 CO 0.60 -1.74 -0.24 0.27 0.23 0.00 0.00 176.35 175.47 3fds s ILE 115 N -1.42 2.21 -0.34 -0.59 -4.36 -0.98 -5.00 121.20 110.71 3fds s ILE 115 Ca 0.77 -1.90 -0.28 0.00 -0.26 0.00 0.00 60.65 58.98 3fds s ILE 115 Cb -0.36 -2.01 0.02 0.00 1.25 0.00 0.00 42.46 41.36 3fds s ILE 115 CO 0.40 -0.07 1.06 -1.58 0.24 0.00 0.00 174.94 174.99 3fds s GLN 116 N -2.43 4.00 -0.19 0.37 2.00 -1.26 -3.76 119.66 118.38 3fds s GLN 116 Ca 0.17 0.94 0.00 0.00 -2.00 0.00 0.00 55.36 54.47 3fds s GLN 116 Cb -0.08 -3.76 0.02 0.00 0.80 0.00 0.00 33.01 29.98 3fds s GLN 116 CO 0.08 -0.96 -0.16 0.08 -0.50 0.00 0.00 175.29 173.83 3fds s VAL 117 N 3.70 2.31 0.18 1.34 1.01 -1.26 -5.05 120.40 122.64 3fds s VAL 117 Ca 0.44 -0.90 -0.33 0.00 0.00 0.00 0.00 61.98 61.19 3fds s VAL 117 Cb -0.12 -2.01 -0.13 0.00 0.00 0.00 0.00 36.38 34.12 3fds s VAL 117 CO 0.18 0.48 1.63 1.21 0.00 0.00 0.00 175.10 178.60 3fds n GLU 118 N 4.64 2.38 -1.37 2.72 4.07 -1.26 -4.88 120.64 126.94 3fds n GLU 118 Ca -0.20 0.86 -0.31 0.00 -0.06 0.00 0.00 57.16 57.45 3fds n GLU 118 Cb 0.50 -2.66 0.09 0.00 -0.06 0.00 0.00 31.44 29.31 3fds n GLU 118 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3fds s SER 119 N 1.01 4.63 -0.09 4.31 0.01 -1.26 -4.95 113.70 117.35 3fds s SER 119 Ca 0.77 1.68 -0.04 0.00 1.31 0.00 0.00 55.95 59.67 3fds s SER 119 Cb -0.62 -2.43 0.04 0.00 0.21 0.00 0.00 66.02 63.23 3fds s SER 119 CO 0.36 -1.93 0.21 0.28 0.41 0.00 0.00 173.24 172.56 3fds s THR 120 N -2.97 -0.04 0.20 1.44 -1.32 -1.26 -5.15 115.64 106.53 3fds s THR 120 Ca 0.60 0.16 0.04 0.00 -1.21 0.00 0.00 61.69 61.28 3fds s THR 120 Cb -0.16 -0.33 -0.05 0.00 -1.51 0.00 0.00 72.50 70.45 3fds s THR 120 CO 0.56 0.06 -0.03 -1.10 -2.21 0.00 0.00 174.62 171.90 3fds s GLN 121 N 1.22 1.21 0.00 7.08 1.11 -1.26 -4.75 119.66 124.28 3fds s GLN 121 Ca -0.09 -1.58 0.00 0.00 0.01 0.00 0.00 55.36 53.70 3fds s GLN 121 Cb -0.11 -0.56 0.00 0.00 -1.01 0.00 0.00 33.01 31.33 3fds s GLN 121 CO -0.08 -0.05 0.00 -2.30 0.01 0.00 0.00 175.29 172.87 3fds n PRO 122 N -0.32 0.00 0.00 2.91 -0.02 -1.26 -5.06 135.00 131.25 3fds n PRO 122 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3fds n PRO 122 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 3fds n PRO 122 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3fds n LEU 127 N 0.00 0.00 -4.39 2.45 7.94 -1.26 -5.27 117.00 116.47 3fds n LEU 127 Ca 0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.69 3fds n LEU 127 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 3fds n LEU 127 CO 0.00 0.00 -0.47 -0.70 -1.11 0.00 0.00 177.39 175.11 3fds s GLU 128 N -4.71 1.45 -0.07 1.96 2.56 -1.26 -5.14 118.70 113.49 3fds s GLU 128 Ca 0.00 -1.62 0.04 0.00 0.00 0.00 0.00 54.97 53.39 3fds s GLU 128 Cb 0.00 -1.43 -0.02 0.00 2.00 0.00 0.00 34.13 34.69 3fds s GLU 128 CO 0.00 0.26 -0.19 -0.06 -0.56 0.00 0.00 175.26 174.71 3fds s PHE 129 N -2.57 2.59 0.44 5.30 0.40 -1.26 -5.02 117.98 117.86 3fds s PHE 129 Ca 0.24 -0.54 0.14 0.00 -0.60 0.00 0.00 56.93 56.17 3fds s PHE 129 Cb -0.04 -1.66 0.96 0.00 0.51 0.00 0.00 43.02 42.80 3fds s PHE 129 CO 0.10 -0.10 1.98 -1.35 0.70 0.00 0.00 175.22 176.55 3fds h PRO 130 N 5.98 0.03 -5.94 0.24 0.11 -1.96 -3.43 132.00 127.02 3fds h PRO 130 Ca -0.35 -0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.17 3fds h PRO 130 Cb 1.18 -0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.00 3fds h PRO 130 CO 0.50 0.21 -0.84 0.12 -0.21 0.00 0.00 178.00 177.78 3fds s PHE 131 N -4.63 1.76 -0.02 0.65 5.36 -0.81 -2.56 117.98 117.73 3fds s PHE 131 Ca -0.04 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 3fds s PHE 131 Cb 0.16 -1.11 0.02 0.00 -0.34 0.00 0.00 43.02 41.75 3fds s PHE 131 CO 0.70 0.01 0.01 0.21 -1.46 0.00 0.00 175.22 174.69 3fds s LYS 132 N -0.69 0.09 0.11 10.12 2.20 -0.88 -2.39 119.74 128.31 3fds s LYS 132 Ca 0.07 0.10 0.06 0.00 -0.36 0.00 0.00 55.97 55.84 3fds s LYS 132 Cb -0.08 -0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 35.92 3fds s LYS 132 CO 0.00 -0.11 -0.14 0.00 -0.36 0.00 0.00 175.35 174.73 3fds s ALA 133 N 0.81 1.46 -0.00 3.13 0.00 0.19 -1.93 121.76 125.42 3fds s ALA 133 Ca -0.07 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 50.70 3fds s ALA 133 Cb -0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 3fds s ALA 133 CO -0.02 0.12 -0.21 -0.65 0.00 0.00 0.00 175.76 175.00 3fds s GLN 134 N -2.53 1.62 0.16 0.00 -0.21 0.45 -0.89 119.66 118.26 3fds s GLN 134 Ca 0.07 -0.79 -0.22 0.00 0.02 0.00 0.00 55.36 54.44 3fds s GLN 134 Cb -0.06 -1.60 0.06 0.00 1.00 0.00 0.00 33.01 32.41 3fds s GLN 134 CO 0.03 0.43 0.58 -0.48 -2.12 0.00 0.00 175.29 173.74 3fds s LEU 135 N -0.65 -0.46 0.39 2.90 2.34 -1.01 -0.09 118.68 122.11 3fds s LEU 135 Ca 0.08 -0.06 -0.27 0.00 0.06 0.00 0.00 54.13 53.94 3fds s LEU 135 Cb -0.08 2.53 -0.09 0.00 -0.56 0.00 0.00 46.19 47.98 3fds s LEU 135 CO -0.00 -0.97 1.38 -0.76 -1.06 0.00 0.00 176.35 174.93 3fds s LEU 136 N -2.76 4.26 0.28 1.48 1.43 -1.26 -0.87 118.68 121.24 3fds s LEU 136 Ca 0.02 2.82 0.04 0.00 -1.03 0.00 0.00 54.13 55.98 3fds s LEU 136 Cb -0.01 -3.80 0.41 0.00 0.03 0.00 0.00 46.19 42.82 3fds s LEU 136 CO -0.12 -0.87 1.70 0.74 0.23 0.00 0.00 176.35 178.03 3fds h THR 137 N 2.67 1.29 -0.52 5.49 2.02 -1.37 -2.69 112.91 119.81 3fds h THR 137 Ca -0.50 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.26 3fds h THR 137 Cb 1.24 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 3fds h THR 137 CO 0.63 0.43 0.26 -0.29 0.37 0.00 0.00 175.52 176.92 3fds h ILE 138 N 0.33 1.17 -0.27 3.11 6.09 -1.84 -1.44 117.51 124.67 3fds h ILE 138 Ca 0.04 -0.47 -0.03 0.00 -1.37 0.00 0.00 64.86 63.03 3fds h ILE 138 Cb 0.76 0.50 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 3fds h ILE 138 CO 0.06 0.20 0.05 0.74 -3.07 0.00 0.00 178.15 176.13 3fds h THR 139 N 0.73 1.22 -0.38 2.19 2.02 -1.86 -1.25 112.91 115.58 3fds h THR 139 Ca 0.18 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3fds h THR 139 Cb 0.06 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3fds h THR 139 CO -0.03 0.24 0.24 0.15 0.37 0.00 0.00 175.52 176.49 3fds h PHE 140 N 0.26 0.48 -0.37 3.16 3.57 -1.30 -2.54 116.94 120.21 3fds h PHE 140 Ca 0.08 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 3fds h PHE 140 Cb 0.31 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3fds h PHE 140 CO 0.02 0.32 0.01 0.00 -2.23 0.00 0.00 178.31 176.43 3fds h ALA 141 N 1.12 0.49 -0.39 2.41 0.00 -1.13 -0.52 119.26 121.24 3fds h ALA 141 Ca 0.14 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3fds h ALA 141 Cb -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3fds h ALA 141 CO -0.03 0.25 0.17 -0.44 0.00 0.00 0.00 179.25 179.21 3fds h ASP 142 N 0.46 0.24 -0.10 0.00 5.19 -1.21 -0.13 116.42 120.87 3fds h ASP 142 Ca 0.10 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 3fds h ASP 142 Cb 0.45 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 3fds h ASP 142 CO 0.02 0.18 0.02 0.40 -3.12 0.00 0.00 179.24 176.73 3fds h ILE 143 N 0.36 1.21 -0.18 0.35 2.04 -1.11 -2.95 117.51 117.23 3fds h ILE 143 Ca 0.17 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3fds h ILE 143 Cb 0.10 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3fds h ILE 143 CO -0.14 0.19 -0.03 0.40 0.00 0.00 0.00 178.15 178.57 3fds h ILE 144 N -0.06 1.28 -0.97 -0.67 1.08 -1.05 -2.06 117.51 115.06 3fds h ILE 144 Ca 0.03 -0.98 0.21 0.00 -0.39 0.00 0.00 64.86 63.73 3fds h ILE 144 Cb 0.28 1.57 -0.09 0.00 -3.07 0.00 0.00 36.82 35.51 3fds h ILE 144 CO 0.00 0.29 0.62 0.44 -0.69 0.00 0.00 178.15 178.81 3fds h ASP 145 N 0.05 0.58 -0.36 1.72 3.45 -1.05 0.13 116.42 120.94 3fds h ASP 145 Ca 0.05 0.07 -0.14 0.00 0.43 0.00 0.00 57.03 57.44 3fds h ASP 145 Cb 0.46 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 3fds h ASP 145 CO 0.02 0.20 -0.31 -0.08 -1.57 0.00 0.00 179.24 177.50 3fds h GLU 146 N 0.56 0.84 0.00 3.56 4.81 -1.32 -3.32 114.58 119.71 3fds h GLU 146 Ca 0.54 -0.43 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3fds h GLU 146 Cb 1.11 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 3fds h GLU 146 CO -0.28 1.07 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.58 3fds h LEU 147 N 0.63 0.00 -1.47 1.64 3.38 -0.20 -3.39 115.31 115.90 3fds h LEU 147 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3fds h LEU 147 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3fds h LEU 147 CO 0.08 0.14 -0.27 0.77 0.09 0.00 0.00 178.44 179.25 3fds h SER 148 N 0.00 0.00 -0.35 -0.43 4.64 -0.94 -1.30 113.55 115.17 3fds h SER 148 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fds h SER 148 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3fds h SER 148 CO 0.02 0.27 0.00 -0.90 -0.87 0.00 0.00 176.83 175.34 3fds n ASP 149 N -4.12 1.96 -0.00 4.97 5.68 -1.26 -4.11 116.55 119.67 3fds n ASP 149 Ca -0.02 -2.02 0.11 0.00 -0.50 0.00 0.00 54.79 52.35 3fds n ASP 149 Cb 0.33 -0.26 -0.16 0.00 -1.14 0.00 0.00 41.12 39.89 3fds n ASP 149 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3fds n LEU 150 N 0.52 0.07 -3.76 -2.12 4.77 -0.49 -5.05 117.00 110.95 3fds n LEU 150 Ca 0.12 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3fds n LEU 150 Cb 0.32 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3fds n LEU 150 CO 0.08 -0.01 0.98 -0.83 -1.33 0.00 0.00 177.39 176.29 3fds s GLY 151 N -4.51 -0.25 0.00 -0.72 0.00 -1.26 -3.44 107.32 97.14 3fds s GLY 151 Ca -0.07 0.32 0.26 0.00 0.00 0.00 0.00 44.72 45.23 3fds s GLY 151 CO 0.90 1.61 1.55 1.18 0.00 0.00 0.00 173.10 178.34 3fds n GLU 152 N -0.61 1.59 -3.88 2.90 1.02 -1.26 -4.79 120.64 115.61 3fds n GLU 152 Ca -0.05 -1.07 -0.21 0.00 -0.02 0.00 0.00 57.16 55.81 3fds n GLU 152 Cb 0.61 -1.48 -0.17 0.00 -0.02 0.00 0.00 31.44 30.38 3fds n GLU 152 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fds s VAL 153 N -2.14 0.34 -0.29 2.62 1.01 -1.26 -1.56 120.40 119.11 3fds s VAL 153 Ca 0.31 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 3fds s VAL 153 Cb 0.20 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3fds s VAL 153 CO 0.39 0.22 0.52 -0.22 0.00 0.00 0.00 175.10 176.01 3fds s LEU 154 N 1.56 4.13 -0.16 3.92 2.96 0.10 -4.45 118.68 126.73 3fds s LEU 154 Ca -0.02 0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 54.12 3fds s LEU 154 Cb -0.13 -2.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.87 3fds s LEU 154 CO -0.03 -0.35 0.31 0.20 -1.32 0.00 0.00 176.35 175.16 3fds s ASN 155 N 1.62 6.46 -0.10 3.68 0.01 0.68 -0.59 114.94 126.70 3fds s ASN 155 Ca 0.21 0.54 0.02 0.00 -0.71 0.00 0.00 52.86 52.91 3fds s ASN 155 Cb -0.15 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.33 3fds s ASN 155 CO 0.11 0.09 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.00 3fds s ILE 156 N 0.50 1.44 0.07 0.60 1.01 -0.04 -0.59 121.20 124.18 3fds s ILE 156 Ca 0.17 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 3fds s ILE 156 Cb -0.13 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3fds s ILE 156 CO 0.04 0.43 -0.03 -1.38 0.00 0.00 0.00 174.94 174.00 3fds s HIS 157 N 0.85 0.61 0.06 3.97 -3.43 0.10 -1.49 115.29 115.96 3fds s HIS 157 Ca -0.10 -1.06 0.08 0.00 -0.80 0.00 0.00 55.06 53.18 3fds s HIS 157 Cb -0.15 -0.42 -0.03 0.00 -1.43 0.00 0.00 32.58 30.55 3fds s HIS 157 CO 0.01 -0.36 -0.21 -1.54 -2.00 0.00 0.00 174.74 170.64 3fds s SER 158 N -2.95 2.55 -0.20 7.38 1.04 -0.82 0.15 113.70 120.85 3fds s SER 158 Ca 0.09 -0.56 -0.08 0.00 0.48 0.00 0.00 55.95 55.88 3fds s SER 158 Cb 0.08 -0.20 0.08 0.00 0.10 0.00 0.00 66.02 66.08 3fds s SER 158 CO -0.08 0.15 0.43 -0.75 0.98 0.00 0.00 173.24 173.96 3fds s LYS 159 N -1.34 0.35 -1.61 4.02 2.20 -0.12 -3.34 119.74 119.89 3fds s LYS 159 Ca 0.08 0.99 -0.16 0.00 -0.36 0.00 0.00 55.97 56.52 3fds s LYS 159 Cb -0.09 0.26 0.12 0.00 -1.51 0.00 0.00 37.83 36.61 3fds s LYS 159 CO 0.02 -0.23 0.91 0.39 -0.36 0.00 0.00 175.35 176.08 3fds n GLU 160 N 5.12 -4.52 -1.19 4.03 1.02 -1.26 -1.23 120.64 122.61 3fds n GLU 160 Ca -0.12 0.50 -0.07 0.00 -0.02 0.00 0.00 57.16 57.45 3fds n GLU 160 Cb 0.51 -5.33 -0.03 0.00 -0.02 0.00 0.00 31.44 26.57 3fds n GLU 160 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fds n ASN 161 N -2.75 -4.09 -4.86 1.62 4.13 -1.26 -5.04 115.26 103.01 3fds n ASN 161 Ca 0.06 0.16 -0.34 0.00 1.68 0.00 0.00 54.58 56.14 3fds n ASN 161 Cb 0.51 -2.17 -0.06 0.00 -1.54 0.00 0.00 39.78 36.52 3fds n ASN 161 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3fds s LYS 162 N -2.27 3.32 -0.09 3.52 1.02 -0.37 -4.75 119.74 120.13 3fds s LYS 162 Ca 0.00 -0.32 -0.00 0.00 0.02 0.00 0.00 55.97 55.67 3fds s LYS 162 Cb 0.00 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 3fds s LYS 162 CO 0.00 0.70 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.89 3fds s LEU 163 N -1.61 3.16 -0.10 3.17 2.96 0.36 -0.95 118.68 125.68 3fds s LEU 163 Ca 0.22 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 3fds s LEU 163 Cb -0.12 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.88 3fds s LEU 163 CO 0.13 0.32 -0.17 -0.31 -1.32 0.00 0.00 176.35 175.00 3fds s TYR 164 N -0.55 2.09 -0.24 5.38 2.02 0.40 0.01 117.35 126.45 3fds s TYR 164 Ca 0.08 -0.94 -0.09 0.00 -0.37 0.00 0.00 57.07 55.75 3fds s TYR 164 Cb -0.12 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 3fds s TYR 164 CO 0.02 -0.45 0.13 -0.06 -1.57 0.00 0.00 175.55 173.62 3fds s PHE 165 N 0.78 3.23 0.03 2.71 2.99 -0.56 -0.72 117.98 126.44 3fds s PHE 165 Ca -0.11 0.04 0.05 0.00 0.00 0.00 0.00 56.93 56.92 3fds s PHE 165 Cb -0.16 -2.26 -0.02 0.00 0.00 0.00 0.00 43.02 40.58 3fds s PHE 165 CO 0.01 -0.06 -0.16 -1.21 -0.00 0.00 0.00 175.22 173.81 3fds s GLU 166 N 1.23 1.10 -0.04 0.44 2.02 0.24 0.05 118.70 123.74 3fds s GLU 166 Ca 0.06 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 54.32 3fds s GLU 166 Cb -0.14 -1.12 0.02 0.00 0.10 0.00 0.00 34.13 33.00 3fds s GLU 166 CO 0.05 0.29 -0.03 0.08 0.02 0.00 0.00 175.26 175.67 3fds s VAL 167 N -0.71 0.45 -0.24 2.63 1.01 -0.90 -0.23 120.40 122.40 3fds s VAL 167 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3fds s VAL 167 Cb -0.07 -0.50 0.06 0.00 0.00 0.00 0.00 36.38 35.87 3fds s VAL 167 CO 0.01 0.21 -0.07 -0.63 0.00 0.00 0.00 175.10 174.62 3fds s ILE 168 N 1.02 1.70 0.00 2.22 -1.09 -1.26 -1.50 121.20 122.29 3fds s ILE 168 Ca -0.10 -1.31 0.00 0.00 -2.23 0.00 0.00 60.65 57.01 3fds s ILE 168 Cb -0.14 -1.91 0.00 0.00 -1.58 0.00 0.00 42.46 38.83 3fds s ILE 168 CO -0.01 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.25 3fds n GLY 169 N 4.61 2.35 0.25 6.18 0.00 -0.22 -4.83 105.19 113.52 3fds n GLY 169 Ca -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 46.02 43.79 3fds n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fds h ASP 170 N 0.00 0.57 0.00 1.61 3.32 -2.01 -3.39 116.42 116.52 3fds h ASP 170 Ca 0.00 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 3fds h ASP 170 Cb 0.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3fds h ASP 170 CO 0.00 0.79 -1.16 0.18 -1.72 0.00 0.00 179.24 177.33 3fds n LEU 171 N -4.13 2.69 -4.37 1.55 4.77 -1.26 -5.10 117.00 111.15 3fds n LEU 171 Ca -0.00 -0.01 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 3fds n LEU 171 Cb 0.40 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 3fds n LEU 171 CO 0.42 0.50 -0.28 -0.94 -1.33 0.00 0.00 177.39 175.76 3fds s SER 172 N -4.17 1.76 0.15 -1.43 1.04 -1.26 -5.16 113.70 104.63 3fds s SER 172 Ca -0.04 -1.34 0.01 0.00 0.48 0.00 0.00 55.95 55.07 3fds s SER 172 Cb 0.01 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 3fds s SER 172 CO 0.07 -0.63 0.01 0.42 0.98 0.00 0.00 173.24 174.09 3fds s THR 173 N -3.51 0.51 0.04 2.02 -4.23 -1.26 -1.05 115.64 108.16 3fds s THR 173 Ca 0.35 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 58.76 3fds s THR 173 Cb 0.08 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.88 3fds s THR 173 CO 0.13 -0.51 0.32 0.00 -0.54 0.00 0.00 174.62 174.02 3fds s ALA 174 N -3.77 -0.73 -0.12 3.99 0.00 -0.56 -5.00 121.76 115.57 3fds s ALA 174 Ca 0.23 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 3fds s ALA 174 Cb 0.06 0.31 0.06 0.00 0.00 0.00 0.00 23.12 23.56 3fds s ALA 174 CO 0.02 -0.41 0.22 0.21 0.00 0.00 0.00 175.76 175.80 3fds s LYS 175 N -2.47 0.11 -0.20 0.00 2.20 -1.26 -2.12 119.74 116.00 3fds s LYS 175 Ca -0.05 0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 56.13 3fds s LYS 175 Cb -0.01 -0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.05 3fds s LYS 175 CO -0.03 -0.33 0.00 0.08 -0.36 0.00 0.00 175.35 174.72 3fds s VAL 176 N 2.36 3.99 -0.19 4.02 1.01 0.11 -5.00 120.40 126.70 3fds s VAL 176 Ca 0.03 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 3fds s VAL 176 Cb -0.12 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3fds s VAL 176 CO -0.08 0.43 0.52 -0.70 0.00 0.00 0.00 175.10 175.27 3fds s GLU 177 N 0.95 4.22 -0.17 2.72 2.12 -1.26 -1.49 118.70 125.78 3fds s GLU 177 Ca 0.01 0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.76 3fds s GLU 177 Cb -0.14 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 3fds s GLU 177 CO 0.02 -0.10 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.02 3fds s LEU 178 N 1.48 2.72 0.09 2.70 1.02 0.10 -4.98 118.68 121.82 3fds s LEU 178 Ca 0.25 -0.39 -0.25 0.00 0.02 0.00 0.00 54.13 53.76 3fds s LEU 178 Cb -0.15 -1.65 0.07 0.00 0.02 0.00 0.00 46.19 44.48 3fds s LEU 178 CO 0.10 0.07 0.61 -0.94 0.02 0.00 0.00 176.35 176.21 3fds s SER 179 N 0.91 -0.58 0.35 2.29 1.04 -1.26 -0.48 113.70 115.97 3fds s SER 179 Ca -0.02 0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.64 3fds s SER 179 Cb -0.15 0.57 0.66 0.00 0.10 0.00 0.00 66.02 67.20 3fds s SER 179 CO -0.00 -0.85 2.00 0.71 0.98 0.00 0.00 173.24 176.08 3fds h THR 180 N 2.35 1.13 -0.54 2.02 1.35 -1.86 -1.85 112.91 115.51 3fds h THR 180 Ca -0.32 -0.29 0.04 0.00 -0.55 0.00 0.00 66.41 65.29 3fds h THR 180 Cb 1.25 0.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 3fds h THR 180 CO 0.39 0.15 0.36 0.44 -0.25 0.00 0.00 175.52 176.61 3fds h ASP 181 N 0.84 0.50 -4.31 5.36 3.32 -1.96 -3.43 116.42 116.74 3fds h ASP 181 Ca 0.25 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3fds h ASP 181 Cb -0.01 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.43 3fds h ASP 181 CO -0.06 0.34 -0.01 -0.46 -1.72 0.00 0.00 179.24 177.33 3fds n ASN 182 N -4.47 0.30 0.23 6.45 2.04 -0.71 -4.99 115.26 114.10 3fds n ASN 182 Ca 0.07 -1.22 0.16 0.00 -0.44 0.00 0.00 54.58 53.14 3fds n ASN 182 Cb 0.18 -0.07 0.76 0.00 -2.53 0.00 0.00 39.78 38.12 3fds n ASN 182 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 3fds h GLY 183 N 0.00 0.00 0.24 4.83 0.00 -1.83 -3.40 103.07 102.92 3fds h GLY 183 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.07 3fds h GLY 183 CO 0.06 0.00 -2.05 -1.30 0.00 0.00 0.00 176.54 173.24 3fds n THR 184 N -2.65 0.97 -4.36 4.70 -2.24 -1.24 -4.93 114.28 104.54 3fds n THR 184 Ca -0.01 -0.72 -0.32 0.00 -2.27 0.00 0.00 64.05 60.73 3fds n THR 184 Cb 0.14 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.86 3fds n THR 184 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fds s LEU 185 N -5.30 3.24 -0.15 3.22 1.43 -1.13 -4.58 118.68 115.41 3fds s LEU 185 Ca -0.08 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 3fds s LEU 185 Cb 0.09 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 3fds s LEU 185 CO 0.85 0.25 0.05 -0.07 0.23 0.00 0.00 176.35 177.67 3fds h LEU 186 N 4.24 0.00 -8.01 1.79 3.38 -0.85 -3.35 115.31 112.51 3fds h LEU 186 Ca -0.48 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.10 3fds h LEU 186 Cb 1.17 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.71 3fds h LEU 186 CO 0.55 0.88 -0.70 -0.70 0.09 0.00 0.00 178.44 178.56 3fds s GLU 187 N -2.10 0.34 -0.28 1.13 2.12 -1.10 -4.93 118.70 113.88 3fds s GLU 187 Ca -0.15 -0.66 -0.22 0.00 0.36 0.00 0.00 54.97 54.30 3fds s GLU 187 Cb 0.02 0.11 0.08 0.00 0.26 0.00 0.00 34.13 34.60 3fds s GLU 187 CO 0.30 -0.05 0.76 0.00 -0.54 0.00 0.00 175.26 175.73 3fds s ALA 188 N -1.66 -1.86 0.02 6.30 0.00 -1.26 -0.41 121.76 122.89 3fds s ALA 188 Ca -0.14 2.15 -0.19 0.00 0.00 0.00 0.00 51.96 53.78 3fds s ALA 188 Cb -0.09 -1.32 0.04 0.00 0.00 0.00 0.00 23.12 21.76 3fds s ALA 188 CO -0.02 -0.34 0.44 -1.54 0.00 0.00 0.00 175.76 174.30 3fds s SER 189 N 0.83 -0.33 0.00 0.00 1.04 -0.81 -4.91 113.70 109.51 3fds s SER 189 Ca -0.03 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.52 3fds s SER 189 Cb -0.05 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3fds s SER 189 CO -0.08 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3fds n GLY 190 N 0.70 0.04 3.77 7.32 0.00 -1.26 -2.07 105.19 113.68 3fds n GLY 190 Ca -0.19 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 3fds n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fds s ALA 191 N -1.00 2.16 -0.42 4.61 0.00 -1.06 -4.69 121.76 121.36 3fds s ALA 191 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 3fds s ALA 191 Cb 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.92 3fds s ALA 191 CO 0.00 -1.80 1.32 -0.51 0.00 0.00 0.00 175.76 174.76 3fds s ASP 192 N -3.55 6.47 0.01 0.00 1.01 -1.26 -4.71 116.67 114.63 3fds s ASP 192 Ca 0.61 0.76 -0.01 0.00 0.71 0.00 0.00 52.55 54.63 3fds s ASP 192 Cb -0.16 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 3fds s ASP 192 CO 0.56 -1.34 0.00 0.68 0.21 0.00 0.00 175.17 175.28 3fds s VAL 193 N 5.02 0.06 -0.02 -1.27 -7.23 -1.21 -4.97 120.40 110.78 3fds s VAL 193 Ca 0.57 -0.48 0.01 0.00 -1.81 0.00 0.00 61.98 60.26 3fds s VAL 193 Cb -0.12 -0.17 0.01 0.00 0.56 0.00 0.00 36.38 36.67 3fds s VAL 193 CO 0.31 -0.26 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.27 3fds s SER 194 N -0.78 0.41 0.16 4.85 0.15 -1.26 -1.95 113.70 115.28 3fds s SER 194 Ca -0.09 -0.05 -0.14 0.00 0.70 0.00 0.00 55.95 56.37 3fds s SER 194 Cb -0.05 -0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.14 3fds s SER 194 CO -0.00 -0.02 0.40 -0.55 1.20 0.00 0.00 173.24 174.26 3fds s SER 195 N 0.43 -0.14 0.09 5.45 0.15 -0.56 -4.18 113.70 114.94 3fds s SER 195 Ca -0.04 -0.54 0.06 0.00 0.70 0.00 0.00 55.95 56.13 3fds s SER 195 Cb -0.07 0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 3fds s SER 195 CO -0.01 -0.92 -0.17 -0.94 1.20 0.00 0.00 173.24 172.40 3fds s SER 196 N -2.87 2.06 0.06 5.45 1.04 -1.26 -0.87 113.70 117.31 3fds s SER 196 Ca 0.09 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.91 3fds s SER 196 Cb 0.01 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 3fds s SER 196 CO -0.06 -0.02 -0.12 -0.31 0.98 0.00 0.00 173.24 173.71 3fds s TYR 197 N -1.25 1.05 -0.01 5.02 1.51 0.24 0.48 117.35 124.40 3fds s TYR 197 Ca 0.02 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 3fds s TYR 197 Cb -0.10 -0.60 -0.08 0.00 -0.11 0.00 0.00 41.96 41.07 3fds s TYR 197 CO 0.03 0.01 1.95 0.20 -1.11 0.00 0.00 175.55 176.63 3fds s GLY 198 N -1.66 1.35 0.33 0.71 0.00 -1.26 -0.73 107.32 106.06 3fds s GLY 198 Ca -0.04 1.19 0.01 0.00 0.00 0.00 0.00 44.72 45.88 3fds s GLY 198 CO 0.02 3.45 1.95 1.98 0.00 0.00 0.00 173.10 180.50 3fds h MET 199 N 10.97 0.86 -0.66 2.90 4.05 -1.60 -2.99 114.93 128.46 3fds h MET 199 Ca -0.47 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 58.84 3fds h MET 199 Cb 1.23 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.82 3fds h MET 199 CO 0.95 0.62 0.32 1.49 0.23 0.00 0.00 176.91 180.52 3fds h GLU 200 N 0.87 0.96 -0.17 0.39 4.81 -1.90 0.22 114.58 119.76 3fds h GLU 200 Ca 0.22 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3fds h GLU 200 Cb 0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3fds h GLU 200 CO -0.04 0.76 0.10 1.88 -0.73 0.00 0.00 179.01 180.98 3fds h TYR 201 N 0.92 0.22 -0.27 0.92 -1.99 -1.93 -0.43 116.97 114.42 3fds h TYR 201 Ca 0.23 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.92 3fds h TYR 201 Cb 0.12 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 3fds h TYR 201 CO 0.00 0.20 0.03 0.28 -0.00 0.00 0.00 178.16 178.68 3fds h VAL 202 N 0.18 1.24 -0.82 -2.88 2.07 -1.41 -3.06 116.25 111.56 3fds h VAL 202 Ca 0.06 -0.82 0.14 0.00 0.82 0.00 0.00 66.70 66.90 3fds h VAL 202 Cb 0.04 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3fds h VAL 202 CO -0.01 0.26 0.54 0.00 0.02 0.00 0.00 177.57 178.38 3fds h ALA 203 N 0.85 1.94 -0.41 1.67 0.00 -0.35 -1.99 119.26 120.98 3fds h ALA 203 Ca 0.08 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3fds h ALA 203 Cb 0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3fds h ALA 203 CO 0.01 -0.16 0.29 -0.91 0.00 0.00 0.00 179.25 178.48 3fds h ASN 204 N 0.58 0.09 0.63 0.00 2.35 -0.97 -2.62 115.58 115.65 3fds h ASN 204 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3fds h ASN 204 Cb 0.74 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3fds h ASN 204 CO -0.16 0.06 -0.16 0.35 -1.65 0.00 0.00 177.43 175.86 3fds n THR 205 N -4.44 0.00 0.30 2.81 -2.24 -0.75 -3.57 114.28 106.39 3fds n THR 205 Ca 0.06 -0.02 0.19 0.00 -2.27 0.00 0.00 64.05 62.01 3fds n THR 205 Cb 0.41 -0.18 0.91 0.00 -2.10 0.00 0.00 70.33 69.37 3fds n THR 205 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fds h THR 206 N 0.19 0.00 -0.07 4.28 1.35 -1.59 0.78 112.91 117.85 3fds h THR 206 Ca 0.00 -0.19 0.02 0.00 -0.55 0.00 0.00 66.41 65.69 3fds h THR 206 Cb 0.44 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3fds h THR 206 CO 0.00 0.00 0.12 0.11 -0.25 0.00 0.00 175.52 175.50 3fds h LYS 207 N 0.00 0.00 0.00 4.72 1.57 -1.80 -2.65 116.57 118.41 3fds h LYS 207 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fds h LYS 207 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3fds h LYS 207 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 179.45 179.40 3fds h MET 208 N 0.00 0.00 -0.48 3.15 2.86 -1.12 -2.04 114.93 117.29 3fds h MET 208 Ca 0.04 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.82 3fds h MET 208 Cb 0.28 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3fds h MET 208 CO -0.00 0.00 0.40 0.07 1.06 0.00 0.00 176.91 178.44 3fds h ARG 209 N 0.00 0.00 0.00 1.72 0.11 -1.67 -1.18 114.38 113.36 3fds h ARG 209 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3fds h ARG 209 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3fds h ARG 209 CO 0.00 0.00 0.00 0.54 0.10 0.00 0.00 179.97 180.61 3fds n ARG 210 N -4.12 0.80 0.00 0.08 5.12 -0.77 -3.72 116.66 114.05 3fds n ARG 210 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 3fds n ARG 210 Cb 0.60 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 3fds n ARG 210 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fds n ALA 211 N -1.08 1.53 -3.73 7.54 0.00 -0.50 -3.97 120.51 120.31 3fds n ALA 211 Ca 0.20 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 3fds n ALA 211 Cb 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 3fds n ALA 211 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fds s SER 212 N -0.35 -0.11 -0.11 0.00 0.15 -0.89 -4.49 113.70 107.90 3fds s SER 212 Ca 0.00 0.41 -0.07 0.00 0.70 0.00 0.00 55.95 57.00 3fds s SER 212 Cb 0.00 0.31 -0.27 0.00 -1.71 0.00 0.00 66.02 64.36 3fds s SER 212 CO 0.00 -0.17 0.41 0.44 1.20 0.00 0.00 173.24 175.12 3fds h ASP 213 N 7.34 0.44 -3.43 5.45 3.32 -1.86 -3.42 116.42 124.25 3fds h ASP 213 Ca -0.39 -0.94 -0.43 0.00 0.02 0.00 0.00 57.03 55.29 3fds h ASP 213 Cb 1.14 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.41 3fds h ASP 213 CO 0.37 1.84 -0.67 -0.94 -1.72 0.00 0.00 179.24 178.12 3fds s SER 214 N -7.06 2.27 0.15 6.45 1.04 -1.26 -1.10 113.70 114.20 3fds s SER 214 Ca -0.21 -1.18 -0.08 0.00 0.48 0.00 0.00 55.95 54.95 3fds s SER 214 Cb 0.06 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 3fds s SER 214 CO 0.78 -0.41 0.25 0.00 0.98 0.00 0.00 173.24 174.84 3fds s MET 215 N -3.79 1.08 -0.11 4.02 0.23 -0.05 -1.23 119.30 119.46 3fds s MET 215 Ca 0.28 -1.15 0.02 0.00 -1.03 0.00 0.00 55.69 53.81 3fds s MET 215 Cb 0.04 0.36 -0.01 0.00 -1.53 0.00 0.00 34.83 33.69 3fds s MET 215 CO 0.09 -0.38 -0.18 -1.21 -2.03 0.00 0.00 175.02 171.32 3fds s GLU 216 N -3.95 3.13 -0.17 3.16 2.02 0.58 -2.39 118.70 121.08 3fds s GLU 216 Ca 0.15 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.34 3fds s GLU 216 Cb 0.04 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 3fds s GLU 216 CO -0.02 0.26 -0.05 -1.17 0.02 0.00 0.00 175.26 174.30 3fds s LEU 217 N 0.20 3.12 0.01 1.80 0.20 -0.07 -0.67 118.68 123.27 3fds s LEU 217 Ca -0.11 -0.21 0.05 0.00 0.69 0.00 0.00 54.13 54.55 3fds s LEU 217 Cb -0.16 -1.76 -0.02 0.00 -0.43 0.00 0.00 46.19 43.83 3fds s LEU 217 CO 0.06 0.12 -0.15 -0.31 -0.29 0.00 0.00 176.35 175.78 3fds s TYR 218 N 0.62 1.37 0.28 5.38 1.51 0.27 -0.64 117.35 126.14 3fds s TYR 218 Ca -0.03 -0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 55.54 3fds s TYR 218 Cb -0.15 -0.86 0.05 0.00 -0.11 0.00 0.00 41.96 40.90 3fds s TYR 218 CO 0.02 0.00 0.85 -0.59 -1.11 0.00 0.00 175.55 174.73 3fds s PHE 219 N -0.52 -0.00 0.08 2.71 -0.71 -1.01 -0.93 117.98 117.60 3fds s PHE 219 Ca 0.05 -0.50 -0.09 0.00 -1.04 0.00 0.00 56.93 55.35 3fds s PHE 219 Cb -0.07 0.75 0.03 0.00 -1.21 0.00 0.00 43.02 42.52 3fds s PHE 219 CO 0.00 -1.24 0.43 0.41 -1.34 0.00 0.00 175.22 173.49 3fds n GLY 220 N -0.54 1.03 3.72 1.99 0.00 -1.26 -1.92 105.19 108.21 3fds n GLY 220 Ca -0.06 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3fds n GLY 220 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fds s SER 221 N -2.03 7.15 -0.85 1.61 0.01 -1.26 -3.45 113.70 114.89 3fds s SER 221 Ca 0.10 2.05 -0.04 0.00 1.31 0.00 0.00 55.95 59.36 3fds s SER 221 Cb -0.01 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.66 3fds s SER 221 CO 0.02 -0.37 0.18 0.00 0.41 0.00 0.00 173.24 173.48 3fds n GLN 222 N 3.24 -2.69 -4.39 12.44 10.64 -1.26 -4.95 117.38 130.41 3fds n GLN 222 Ca 0.06 0.35 -0.20 0.00 -1.83 0.00 0.00 57.00 55.38 3fds n GLN 222 Cb 0.46 -4.94 -0.10 0.00 -0.86 0.00 0.00 30.24 24.80 3fds n GLN 222 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 3fds s ILE 223 N -2.55 1.87 0.65 -0.39 -4.36 -1.22 -4.90 121.20 110.29 3fds s ILE 223 Ca 0.17 -2.23 -0.17 0.00 -0.26 0.00 0.00 60.65 58.15 3fds s ILE 223 Cb -0.09 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.39 3fds s ILE 223 CO 0.20 -0.48 0.96 -2.65 0.24 0.00 0.00 174.94 173.21 3fds n PRO 224 N -0.48 0.76 -2.99 0.37 -0.02 -1.26 -4.17 135.00 127.21 3fds n PRO 224 Ca -0.07 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 3fds n PRO 224 Cb 0.61 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 3fds n PRO 224 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fds s LEU 225 N -2.41 4.09 -0.22 2.45 2.96 -0.12 -4.33 118.68 121.10 3fds s LEU 225 Ca 0.76 0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 55.29 3fds s LEU 225 Cb -0.39 -3.03 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 3fds s LEU 225 CO 0.47 -0.53 0.14 -0.75 -1.32 0.00 0.00 176.35 174.36 3fds s LYS 226 N 2.80 4.10 -0.31 1.98 2.20 -0.11 0.55 119.74 130.95 3fds s LYS 226 Ca 0.31 -0.26 -0.03 0.00 -0.36 0.00 0.00 55.97 55.63 3fds s LYS 226 Cb -0.15 -3.46 0.05 0.00 -1.51 0.00 0.00 37.83 32.76 3fds s LYS 226 CO 0.11 0.17 0.02 -0.51 -0.36 0.00 0.00 175.35 174.77 3fds s LEU 227 N 0.74 4.00 -0.42 5.43 1.43 0.67 -0.56 118.68 129.97 3fds s LEU 227 Ca 0.07 -1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 51.73 3fds s LEU 227 Cb -0.12 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.38 3fds s LEU 227 CO 0.02 -0.28 0.42 -0.60 0.23 0.00 0.00 176.35 176.14 3fds s ARG 228 N 1.27 3.07 -0.42 1.70 3.52 0.15 -0.53 118.95 127.72 3fds s ARG 228 Ca -0.04 -0.80 -0.23 0.00 -0.13 0.00 0.00 55.73 54.52 3fds s ARG 228 Cb -0.20 -3.97 0.02 0.00 -1.56 0.00 0.00 34.95 29.24 3fds s ARG 228 CO -0.01 -0.84 0.77 -0.06 -0.81 0.00 0.00 175.30 174.35 3fds s PHE 229 N 2.07 3.04 0.02 5.12 0.08 -0.21 -0.31 117.98 127.79 3fds s PHE 229 Ca 0.11 0.27 -0.30 0.00 0.12 0.00 0.00 56.93 57.13 3fds s PHE 229 Cb -0.17 -3.55 -0.05 0.00 -0.57 0.00 0.00 43.02 38.68 3fds s PHE 229 CO 0.13 -0.89 1.21 0.15 -0.10 0.00 0.00 175.22 175.72 3fds s LYS 230 N 3.19 4.40 0.37 0.44 1.02 -0.36 -0.97 119.74 127.83 3fds s LYS 230 Ca 0.30 1.76 0.07 0.00 0.02 0.00 0.00 55.97 58.12 3fds s LYS 230 Cb -0.13 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 3fds s LYS 230 CO 0.21 -0.34 0.38 -0.51 -0.92 0.00 0.00 175.35 174.17 3fds s LEU 231 N 1.51 3.59 0.62 3.17 1.43 0.53 -3.91 118.68 125.62 3fds s LEU 231 Ca 0.58 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 3fds s LEU 231 Cb -0.28 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.55 3fds s LEU 231 CO 0.27 -0.52 0.33 -2.65 0.23 0.00 0.00 176.35 174.01 3fds n PRO 232 N -1.53 0.32 0.00 1.29 -0.02 -1.26 -3.88 135.00 129.92 3fds n PRO 232 Ca 0.02 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3fds n PRO 232 Cb 0.60 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3fds n PRO 232 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3fds n GLN 233 N 0.17 0.00 -0.14 -0.52 1.13 -1.26 -2.34 117.38 114.42 3fds n GLN 233 Ca 0.10 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.19 3fds n GLN 233 Cb 0.49 0.00 0.10 0.00 0.11 0.00 0.00 30.24 30.94 3fds n GLN 233 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3fds n GLU 234 N 12.94 1.65 -2.20 -1.09 -0.58 -1.26 -4.98 120.64 125.11 3fds n GLU 234 Ca 0.00 -0.82 -0.32 0.00 -0.42 0.00 0.00 57.16 55.60 3fds n GLU 234 Cb 0.00 -1.29 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 3fds n GLU 234 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3fds s GLY 235 N -0.84 2.03 0.03 0.62 0.00 -0.99 -4.91 107.32 103.27 3fds s GLY 235 Ca 0.15 0.22 -0.21 0.00 0.00 0.00 0.00 44.72 44.88 3fds s GLY 235 CO 0.09 0.51 0.49 -2.52 0.00 0.00 0.00 173.10 171.67 3fds s TYR 236 N -2.64 -0.38 -0.28 1.90 1.13 -0.94 -0.35 117.35 115.79 3fds s TYR 236 Ca 0.60 0.47 0.03 0.00 -1.41 0.00 0.00 57.07 56.76 3fds s TYR 236 Cb -0.12 0.29 0.07 0.00 -1.10 0.00 0.00 41.96 41.09 3fds s TYR 236 CO 0.36 -0.59 -0.07 0.20 -2.51 0.00 0.00 175.55 172.94 3fds s GLY 237 N -1.79 1.73 -0.08 5.49 0.00 -0.14 -0.99 107.32 111.53 3fds s GLY 237 Ca -0.07 -1.94 -0.12 0.00 0.00 0.00 0.00 44.72 42.59 3fds s GLY 237 CO 0.00 0.69 0.29 0.99 0.00 0.00 0.00 173.10 175.07 3fds s ASP 238 N 1.07 6.58 -0.09 1.64 -0.00 0.25 -1.05 116.67 125.08 3fds s ASP 238 Ca -0.04 0.69 0.01 0.00 -0.00 0.00 0.00 52.55 53.21 3fds s ASP 238 Cb -0.20 -2.18 0.02 0.00 -0.00 0.00 0.00 42.92 40.57 3fds s ASP 238 CO -0.06 0.30 -0.11 -0.36 -0.00 0.00 0.00 175.17 174.95 3fds s PHE 239 N -0.69 1.53 -0.19 4.23 0.40 0.31 -1.27 117.98 122.30 3fds s PHE 239 Ca 0.19 -0.68 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 3fds s PHE 239 Cb -0.14 -1.18 -0.02 0.00 0.51 0.00 0.00 43.02 42.18 3fds s PHE 239 CO 0.08 -0.41 -0.02 0.71 0.70 0.00 0.00 175.22 176.28 3fds s TYR 240 N 1.15 3.01 -0.21 0.36 1.51 0.10 -0.24 117.35 123.03 3fds s TYR 240 Ca -0.05 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.51 3fds s TYR 240 Cb -0.14 -2.05 0.04 0.00 -0.11 0.00 0.00 41.96 39.70 3fds s TYR 240 CO -0.02 -0.25 -0.14 0.42 -1.11 0.00 0.00 175.55 174.45 3fds s ILE 241 N 0.91 1.94 0.48 2.71 1.01 0.19 -1.25 121.20 127.19 3fds s ILE 241 Ca 0.00 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.23 3fds s ILE 241 Cb -0.14 -1.94 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 3fds s ILE 241 CO 0.02 0.22 1.31 0.00 0.00 0.00 0.00 174.94 176.48 3fds n ALA 242 N 4.58 1.44 -1.75 9.38 0.00 0.75 -0.94 120.51 133.98 3fds n ALA 242 Ca -0.16 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 3fds n ALA 242 Cb 0.46 -2.31 -0.00 0.00 0.00 0.00 0.00 19.45 17.60 3fds n ALA 242 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fds s PRO 243 N -2.51 3.43 0.48 0.00 0.04 -1.26 -4.71 135.00 130.48 3fds s PRO 243 Ca 0.65 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.95 3fds s PRO 243 Cb -0.46 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 3fds s PRO 243 CO 0.54 -0.76 1.39 1.03 0.04 0.00 0.00 177.00 179.24 3fds s ARG 244 N -3.40 3.49 0.00 4.56 0.52 0.18 -4.99 118.95 119.31 3fds s ARG 244 Ca 0.70 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 58.22 3fds s ARG 244 Cb -0.21 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.76 3fds s ARG 244 CO 0.27 -0.93 0.22 0.00 0.02 0.00 0.00 175.30 174.87