#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oiy n MET 1 N 0.00 1.97 -0.31 1.43 0.00 -1.26 -4.54 117.12 114.41 1oiy n MET 1 Ca 0.00 -1.45 0.20 0.00 0.00 0.00 0.00 57.70 56.45 1oiy n MET 1 Cb 0.00 -1.44 0.39 0.00 0.00 0.00 0.00 33.22 32.17 1oiy n MET 1 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1oiy n GLU 2 N 0.69 -0.07 0.00 0.03 2.13 -1.26 -1.02 120.64 121.15 1oiy n GLU 2 Ca 0.17 1.33 0.14 0.00 0.66 0.00 0.00 57.16 59.45 1oiy n GLU 2 Cb 0.42 -2.22 0.57 0.00 0.27 0.00 0.00 31.44 30.48 1oiy n GLU 2 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1oiy n ASN 3 N -5.23 0.08 -4.85 4.31 3.02 -1.26 -4.82 115.26 106.52 1oiy n ASN 3 Ca 0.27 0.35 -0.34 0.00 -0.03 0.00 0.00 54.58 54.84 1oiy n ASN 3 Cb 0.91 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 39.65 1oiy n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1oiy s PHE 4 N -2.98 3.45 -0.19 3.10 0.08 -0.19 0.20 117.98 121.45 1oiy s PHE 4 Ca 0.14 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.53 1oiy s PHE 4 Cb 0.19 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 1oiy s PHE 4 CO 0.55 0.62 -0.17 -1.14 -0.10 0.00 0.00 175.22 174.99 1oiy s GLN 5 N -1.67 2.65 0.53 0.44 2.00 -0.46 -4.92 119.66 118.24 1oiy s GLN 5 Ca 0.23 -0.84 -0.21 0.00 -2.00 0.00 0.00 55.36 52.53 1oiy s GLN 5 Cb -0.12 -2.50 -0.05 0.00 0.80 0.00 0.00 33.01 31.14 1oiy s GLN 5 CO 0.14 -0.29 1.27 0.21 -0.50 0.00 0.00 175.29 176.12 1oiy s LYS 6 N 1.32 3.28 0.00 1.67 2.47 -1.26 -1.63 119.74 125.59 1oiy s LYS 6 Ca 0.03 2.01 0.00 0.00 -1.56 0.00 0.00 55.97 56.44 1oiy s LYS 6 Cb -0.14 -2.23 0.00 0.00 -1.46 0.00 0.00 37.83 34.00 1oiy s LYS 6 CO -0.11 -1.01 0.00 0.28 0.16 0.00 0.00 175.35 174.67 1oiy n VAL 7 N -1.00 0.00 -3.63 4.02 0.31 -0.84 -4.89 118.33 112.30 1oiy n VAL 7 Ca 0.10 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.40 1oiy n VAL 7 Cb 0.47 -0.32 -0.04 0.00 -0.91 0.00 0.00 33.84 33.04 1oiy n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1oiy s GLU 8 N -1.63 0.13 0.10 5.55 -1.05 -1.21 -5.02 118.70 115.57 1oiy s GLU 8 Ca 0.00 0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.54 1oiy s GLU 8 Cb 0.00 0.06 -0.06 0.00 -0.44 0.00 0.00 34.13 33.70 1oiy s GLU 8 CO 0.00 -0.04 0.95 0.21 0.95 0.00 0.00 175.26 177.33 1oiy s LYS 9 N -1.20 4.68 -0.18 -4.83 2.20 -1.26 -0.77 119.74 118.38 1oiy s LYS 9 Ca 0.08 1.42 -0.17 0.00 -0.36 0.00 0.00 55.97 56.94 1oiy s LYS 9 Cb -0.01 -3.38 -0.22 0.00 -1.51 0.00 0.00 37.83 32.71 1oiy s LYS 9 CO -0.06 0.21 0.28 0.82 -0.36 0.00 0.00 175.35 176.24 1oiy h ILE 10 N 4.08 0.85 0.00 5.43 2.04 0.33 -3.46 117.51 126.79 1oiy h ILE 10 Ca -0.43 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.19 1oiy h ILE 10 Cb 1.21 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1oiy h ILE 10 CO 0.72 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.97 1oiy n GLY 11 N 1.60 -1.75 3.04 5.37 0.00 -1.02 -5.01 105.19 107.42 1oiy n GLY 11 Ca -0.31 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 1oiy n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oiy s GLU 12 N -1.69 2.17 0.00 1.61 2.02 -1.26 -0.61 118.70 120.94 1oiy s GLU 12 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1oiy s GLU 12 Cb 0.00 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1oiy s GLU 12 CO 0.00 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1oiy n GLY 13 N 4.31 2.18 0.32 -1.39 0.00 -1.26 -4.97 105.19 104.38 1oiy n GLY 13 Ca -0.19 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.04 1oiy n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1oiy h THR 14 N 0.00 1.07 -3.49 2.61 2.02 -1.98 -3.44 112.91 109.69 1oiy h THR 14 Ca 0.00 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 1oiy h THR 14 Cb 0.00 -0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.30 1oiy h THR 14 CO 0.00 0.18 -0.08 -0.72 0.37 0.00 0.00 175.52 175.27 1oiy s TYR 15 N -6.08 0.06 0.06 3.16 1.13 -1.26 -5.10 117.35 109.31 1oiy s TYR 15 Ca -0.13 -0.41 0.00 0.00 -1.41 0.00 0.00 57.07 55.12 1oiy s TYR 15 Cb 0.18 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 41.29 1oiy s TYR 15 CO 0.79 -0.86 0.00 0.41 -2.51 0.00 0.00 175.55 173.37 1oiy n GLY 16 N -0.30 -1.96 3.01 5.49 0.00 -1.26 -4.90 105.19 105.27 1oiy n GLY 16 Ca -0.09 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.36 1oiy n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oiy s VAL 17 N -0.74 0.85 -0.16 1.61 1.01 -0.86 -4.12 120.40 117.99 1oiy s VAL 17 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1oiy s VAL 17 Cb 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1oiy s VAL 17 CO 0.00 0.26 0.06 -0.69 0.00 0.00 0.00 175.10 174.73 1oiy s VAL 18 N 0.18 4.79 0.06 2.92 1.01 0.22 -0.47 120.40 129.10 1oiy s VAL 18 Ca -0.03 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.00 1oiy s VAL 18 Cb -0.09 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1oiy s VAL 18 CO 0.01 0.51 -0.25 -0.31 0.00 0.00 0.00 175.10 175.05 1oiy s TYR 19 N -0.06 2.21 0.31 5.22 1.51 0.15 0.10 117.35 126.79 1oiy s TYR 19 Ca 0.06 -0.40 -0.22 0.00 -1.01 0.00 0.00 57.07 55.50 1oiy s TYR 19 Cb -0.12 -1.30 -0.09 0.00 -0.11 0.00 0.00 41.96 40.34 1oiy s TYR 19 CO 0.01 0.16 0.85 0.21 -1.11 0.00 0.00 175.55 175.67 1oiy s LYS 20 N -1.38 4.35 0.21 -0.62 2.20 0.05 -0.45 119.74 124.10 1oiy s LYS 20 Ca 0.11 1.07 -0.22 0.00 -0.36 0.00 0.00 55.97 56.57 1oiy s LYS 20 Cb -0.10 -2.67 0.05 0.00 -1.51 0.00 0.00 37.83 33.60 1oiy s LYS 20 CO 0.03 0.25 0.64 0.00 -0.36 0.00 0.00 175.35 175.91 1oiy s ALA 21 N -1.73 -1.43 0.15 3.13 0.00 0.61 -1.99 121.76 120.51 1oiy s ALA 21 Ca 0.50 0.16 0.10 0.00 0.00 0.00 0.00 51.96 52.72 1oiy s ALA 21 Cb -0.15 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1oiy s ALA 21 CO 0.20 -0.87 -0.22 -0.98 0.00 0.00 0.00 175.76 173.89 1oiy s ARG 22 N -3.82 1.33 -0.20 0.00 1.70 -0.64 0.48 118.95 117.79 1oiy s ARG 22 Ca 0.05 -1.38 -0.23 0.00 -0.47 0.00 0.00 55.73 53.71 1oiy s ARG 22 Cb -0.03 -1.57 -0.02 0.00 -0.57 0.00 0.00 34.95 32.76 1oiy s ARG 22 CO -0.05 0.34 0.72 1.21 -1.08 0.00 0.00 175.30 176.45 1oiy s ASN 23 N -2.41 6.78 0.20 -2.89 3.84 0.16 -1.35 114.94 119.26 1oiy s ASN 23 Ca 0.15 0.96 -0.07 0.00 0.21 0.00 0.00 52.86 54.11 1oiy s ASN 23 Cb -0.08 -2.39 0.13 0.00 -0.55 0.00 0.00 41.25 38.36 1oiy s ASN 23 CO 0.07 -0.36 1.63 0.11 -2.79 0.00 0.00 177.10 175.76 1oiy h LYS 24 N 7.51 0.91 0.00 0.43 1.57 0.19 0.24 116.57 127.42 1oiy h LYS 24 Ca -0.29 -0.34 -0.12 0.00 -1.87 0.00 0.00 60.65 58.03 1oiy h LYS 24 Cb 1.13 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1oiy h LYS 24 CO 0.81 0.99 -0.59 -0.07 -0.57 0.00 0.00 179.45 180.01 1oiy h LEU 25 N 0.81 0.00 0.00 2.94 3.38 -1.93 -3.39 115.31 117.12 1oiy h LEU 25 Ca 0.13 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 1oiy h LEU 25 Cb 0.67 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1oiy h LEU 25 CO 0.05 0.59 -1.76 0.35 0.09 0.00 0.00 178.44 177.76 1oiy n THR 26 N -3.28 0.74 0.00 0.22 -2.24 -1.16 -5.00 114.28 103.56 1oiy n THR 26 Ca 0.01 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1oiy n THR 26 Cb 0.75 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1oiy n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oiy n GLY 27 N 2.29 2.31 3.68 3.38 0.00 0.06 -5.04 105.19 111.86 1oiy n GLY 27 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1oiy n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oiy s GLU 28 N -0.91 4.24 0.16 1.61 2.12 -1.25 -4.56 118.70 120.12 1oiy s GLU 28 Ca 0.00 2.02 -0.31 0.00 0.36 0.00 0.00 54.97 57.04 1oiy s GLU 28 Cb 0.00 -3.72 -0.10 0.00 0.26 0.00 0.00 34.13 30.57 1oiy s GLU 28 CO 0.00 -0.69 1.52 0.08 -0.54 0.00 0.00 175.26 175.63 1oiy s VAL 29 N 3.06 2.76 0.04 3.70 1.01 -1.26 0.36 120.40 130.07 1oiy s VAL 29 Ca 0.66 0.55 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1oiy s VAL 29 Cb -0.31 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1oiy s VAL 29 CO 0.26 0.05 -0.07 0.68 0.00 0.00 0.00 175.10 176.02 1oiy s VAL 30 N 1.05 0.48 -0.28 2.92 -7.23 0.18 -3.63 120.40 113.89 1oiy s VAL 30 Ca 0.68 -1.12 -0.18 0.00 -1.81 0.00 0.00 61.98 59.55 1oiy s VAL 30 Cb -0.42 -0.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 1oiy s VAL 30 CO 0.32 -0.44 0.51 0.00 -0.31 0.00 0.00 175.10 175.18 1oiy s ALA 31 N -1.58 3.56 -0.28 1.32 0.00 -0.14 -0.29 121.76 124.35 1oiy s ALA 31 Ca -0.09 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1oiy s ALA 31 Cb -0.09 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1oiy s ALA 31 CO -0.00 -0.85 0.18 -0.51 0.00 0.00 0.00 175.76 174.57 1oiy s LEU 32 N 2.34 3.99 -0.30 0.00 1.43 0.40 0.43 118.68 126.97 1oiy s LEU 32 Ca 0.21 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 1oiy s LEU 32 Cb -0.16 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 1oiy s LEU 32 CO 0.10 -0.07 0.40 -0.75 0.23 0.00 0.00 176.35 176.26 1oiy s LYS 33 N 1.74 3.83 -0.19 1.70 2.20 0.17 -0.68 119.74 128.51 1oiy s LYS 33 Ca 0.07 -0.11 -0.09 0.00 -0.36 0.00 0.00 55.97 55.47 1oiy s LYS 33 Cb -0.16 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.39 1oiy s LYS 33 CO 0.10 -0.41 0.12 0.21 -0.36 0.00 0.00 175.35 175.01 1oiy s LYS 34 N 2.11 4.09 -0.27 4.03 2.20 0.38 -0.15 119.74 132.13 1oiy s LYS 34 Ca 0.15 -0.23 0.03 0.00 -0.36 0.00 0.00 55.97 55.55 1oiy s LYS 34 Cb -0.16 -3.36 0.07 0.00 -1.51 0.00 0.00 37.83 32.86 1oiy s LYS 34 CO 0.11 0.34 -0.08 0.42 -0.36 0.00 0.00 175.35 175.78 1oiy s ILE 35 N 0.23 2.06 0.04 5.43 1.01 0.15 -2.04 121.20 128.09 1oiy s ILE 35 Ca 0.08 -1.66 -0.31 0.00 0.00 0.00 0.00 60.65 58.77 1oiy s ILE 35 Cb -0.11 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.05 1oiy s ILE 35 CO -0.01 -0.12 1.36 -0.13 0.00 0.00 0.00 174.94 176.04 1oiy s ARG 36 N 1.13 4.32 -0.07 2.79 0.52 -1.26 -0.85 118.95 125.52 1oiy s ARG 36 Ca -0.06 1.97 -0.05 0.00 -0.52 0.00 0.00 55.73 57.07 1oiy s ARG 36 Cb -0.20 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 1oiy s ARG 36 CO -0.06 -0.48 0.15 -0.51 0.02 0.00 0.00 175.30 174.42 1oiy s LEU 37 N 1.78 4.35 0.00 2.53 1.43 0.16 -4.94 118.68 124.00 1oiy s LEU 37 Ca 0.63 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1oiy s LEU 37 Cb -0.33 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1oiy s LEU 37 CO 0.28 0.35 0.00 0.41 0.23 0.00 0.00 176.35 177.62 1oiy n THR 41 N 1.56 0.00 -0.53 5.49 -1.04 -1.26 -4.78 114.28 113.72 1oiy n THR 41 Ca -0.16 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.87 1oiy n THR 41 Cb 0.54 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.08 1oiy n THR 41 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1oiy n GLU 42 N 0.00 1.91 0.00 -2.82 -0.58 -1.26 -5.12 120.64 112.78 1oiy n GLU 42 Ca 0.00 -1.50 0.00 0.00 -0.42 0.00 0.00 57.16 55.24 1oiy n GLU 42 Cb 0.00 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1oiy n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oiy n GLY 43 N -0.56 0.69 3.68 0.62 0.00 -1.26 -4.77 105.19 103.58 1oiy n GLY 43 Ca 0.03 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1oiy n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oiy s VAL 44 N 0.00 4.42 0.36 1.61 1.01 -1.26 -4.96 120.40 121.58 1oiy s VAL 44 Ca 0.00 1.72 -0.28 0.00 0.00 0.00 0.00 61.98 63.42 1oiy s VAL 44 Cb 0.00 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 1oiy s VAL 44 CO 0.00 -0.05 1.41 -2.84 0.00 0.00 0.00 175.10 173.62 1oiy s PRO 45 N 2.57 4.20 0.54 2.72 0.02 -1.26 -4.83 135.00 138.96 1oiy s PRO 45 Ca 0.53 2.42 0.21 0.00 0.02 0.00 0.00 61.00 64.18 1oiy s PRO 45 Cb -0.22 -3.00 1.46 0.00 0.02 0.00 0.00 34.50 32.77 1oiy s PRO 45 CO 0.18 -0.40 2.18 0.66 -0.33 0.00 0.00 177.00 179.29 1oiy h SER 46 N 3.13 0.00 -0.15 2.53 4.64 -1.95 -0.05 113.55 121.70 1oiy h SER 46 Ca -0.50 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 1oiy h SER 46 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1oiy h SER 46 CO 0.65 0.01 0.03 0.71 -0.87 0.00 0.00 176.83 177.35 1oiy h THR 47 N 0.00 1.14 0.05 2.95 1.35 -1.90 -0.20 112.91 116.30 1oiy h THR 47 Ca -0.00 -0.51 -0.24 0.00 -0.55 0.00 0.00 66.41 65.11 1oiy h THR 47 Cb 0.02 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 67.35 1oiy h THR 47 CO 0.00 0.17 -1.12 0.00 -0.25 0.00 0.00 175.52 174.32 1oiy h ALA 48 N 1.69 0.26 -0.29 6.62 0.00 -1.34 -2.30 119.26 123.90 1oiy h ALA 48 Ca 0.08 -0.92 -0.15 0.00 0.00 0.00 0.00 54.91 53.93 1oiy h ALA 48 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1oiy h ALA 48 CO 0.00 1.15 -0.41 0.82 0.00 0.00 0.00 179.25 180.81 1oiy h ILE 49 N 0.03 1.29 0.04 0.00 2.04 -0.90 -2.79 117.51 117.22 1oiy h ILE 49 Ca -0.07 -1.59 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 1oiy h ILE 49 Cb 1.86 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1oiy h ILE 49 CO 0.16 0.51 -0.02 0.03 0.00 0.00 0.00 178.15 178.83 1oiy h ARG 50 N 0.58 -0.05 -0.46 2.37 3.08 -1.07 -2.55 114.38 116.28 1oiy h ARG 50 Ca 0.05 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.19 1oiy h ARG 50 Cb 0.95 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.91 1oiy h ARG 50 CO 0.09 0.62 -0.34 1.49 -1.07 0.00 0.00 179.97 180.76 1oiy h GLU 51 N -0.88 -0.22 0.46 0.04 4.81 -1.49 0.27 114.58 117.58 1oiy h GLU 51 Ca -0.01 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1oiy h GLU 51 Cb 0.69 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1oiy h GLU 51 CO 0.01 -0.15 -0.22 0.82 -0.73 0.00 0.00 179.01 178.74 1oiy h ILE 52 N -0.23 0.52 -0.97 2.32 2.04 -1.61 0.83 117.51 120.40 1oiy h ILE 52 Ca 0.19 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 65.92 1oiy h ILE 52 Cb 0.55 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.17 1oiy h ILE 52 CO -0.59 0.04 0.60 0.77 0.00 0.00 0.00 178.15 178.97 1oiy h SER 53 N -0.78 0.86 0.15 1.72 4.64 -1.23 -1.01 113.55 117.90 1oiy h SER 53 Ca -0.06 0.06 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 1oiy h SER 53 Cb 0.55 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1oiy h SER 53 CO 0.10 0.44 -0.96 -0.07 -0.87 0.00 0.00 176.83 175.48 1oiy h LEU 54 N 0.92 0.49 -1.50 5.97 3.38 -0.24 -3.31 115.31 121.02 1oiy h LEU 54 Ca 0.49 -0.94 0.03 0.00 0.09 0.00 0.00 57.88 57.56 1oiy h LEU 54 Cb 0.53 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1oiy h LEU 54 CO -0.28 1.45 0.37 -0.07 0.09 0.00 0.00 178.44 180.00 1oiy h LEU 55 N -0.32 0.56 -1.78 1.67 4.07 0.94 -1.48 115.31 118.97 1oiy h LEU 55 Ca -0.17 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 57.82 1oiy h LEU 55 Cb 1.71 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.30 1oiy h LEU 55 CO 0.15 0.39 0.22 0.11 -1.08 0.00 0.00 178.44 178.23 1oiy h LYS 56 N 0.65 0.28 0.04 1.13 1.57 -1.28 -2.38 116.57 116.59 1oiy h LYS 56 Ca 0.22 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.71 1oiy h LYS 56 Cb 0.09 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1oiy h LYS 56 CO -0.06 0.19 -1.44 0.93 -0.57 0.00 0.00 179.45 178.50 1oiy h GLU 57 N 0.29 0.09 -5.46 3.15 5.08 -1.39 -3.43 114.58 112.92 1oiy h GLU 57 Ca 0.14 -0.16 -0.63 0.00 -1.00 0.00 0.00 59.36 57.70 1oiy h GLU 57 Cb 0.19 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.36 1oiy h GLU 57 CO -0.03 0.88 0.71 -0.51 -1.00 0.00 0.00 179.01 179.06 1oiy s LEU 58 N -6.62 4.38 -0.29 1.33 1.43 -0.82 -4.93 118.68 113.17 1oiy s LEU 58 Ca -0.05 -1.21 0.03 0.00 -1.03 0.00 0.00 54.13 51.87 1oiy s LEU 58 Cb 0.08 -2.43 0.08 0.00 0.03 0.00 0.00 46.19 43.95 1oiy s LEU 58 CO 0.83 -1.39 -0.02 0.21 0.23 0.00 0.00 176.35 176.21 1oiy s ASN 59 N 3.76 4.40 -0.11 2.29 3.84 -1.26 -4.87 114.94 123.00 1oiy s ASN 59 Ca 0.27 -1.65 -0.19 0.00 0.21 0.00 0.00 52.86 51.50 1oiy s ASN 59 Cb -0.13 -1.44 0.04 0.00 -0.55 0.00 0.00 41.25 39.18 1oiy s ASN 59 CO 0.05 -0.29 0.47 -2.28 -2.79 0.00 0.00 177.10 172.26 1oiy s HIS 60 N 1.14 -0.45 0.50 0.43 2.46 -1.26 -5.04 115.29 113.06 1oiy s HIS 60 Ca 0.01 0.95 0.29 0.00 0.47 0.00 0.00 55.06 56.78 1oiy s HIS 60 Cb -0.19 0.20 1.65 0.00 -0.13 0.00 0.00 32.58 34.11 1oiy s HIS 60 CO -0.08 -0.37 2.16 -1.00 -2.47 0.00 0.00 174.74 172.99 1oiy h PRO 61 N 4.45 0.00 -0.55 2.88 0.13 -1.99 -0.76 132.00 136.16 1oiy h PRO 61 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1oiy h PRO 61 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1oiy h PRO 61 CO 0.30 0.06 0.00 0.09 -0.23 0.00 0.00 178.00 178.22 1oiy n ASN 62 N -3.71 3.76 -4.35 1.44 4.13 -1.26 -4.85 115.26 110.42 1oiy n ASN 62 Ca -0.02 -2.17 -0.34 0.00 1.68 0.00 0.00 54.58 53.73 1oiy n ASN 62 Cb 0.16 -0.42 -0.14 0.00 -1.54 0.00 0.00 39.78 37.84 1oiy n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1oiy s ILE 63 N -1.31 3.29 0.26 2.41 1.01 -0.29 -1.12 121.20 125.45 1oiy s ILE 63 Ca 0.40 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 60.20 1oiy s ILE 63 Cb 0.23 -2.45 -0.13 0.00 0.01 0.00 0.00 42.46 40.12 1oiy s ILE 63 CO 0.24 0.47 1.32 0.55 0.00 0.00 0.00 174.94 177.52 1oiy n VAL 64 N 4.15 1.28 -3.82 2.92 3.14 -0.69 -4.48 118.33 120.83 1oiy n VAL 64 Ca -0.18 -0.32 -0.36 0.00 -2.96 0.00 0.00 64.34 60.52 1oiy n VAL 64 Cb 0.52 -1.40 -0.10 0.00 -1.06 0.00 0.00 33.84 31.80 1oiy n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1oiy s LYS 65 N -0.84 3.95 -0.36 1.45 2.20 -1.26 -5.00 119.74 119.88 1oiy s LYS 65 Ca 0.65 -0.34 -0.25 0.00 -0.36 0.00 0.00 55.97 55.67 1oiy s LYS 65 Cb -0.65 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.31 1oiy s LYS 65 CO 0.54 0.10 0.87 -1.17 -0.36 0.00 0.00 175.35 175.32 1oiy s LEU 66 N 0.89 4.05 0.05 5.43 2.96 -1.26 -1.49 118.68 129.31 1oiy s LEU 66 Ca 0.05 0.54 0.04 0.00 -0.22 0.00 0.00 54.13 54.54 1oiy s LEU 66 Cb -0.13 -3.17 -0.24 0.00 0.50 0.00 0.00 46.19 43.14 1oiy s LEU 66 CO 0.03 -0.79 1.02 -0.07 -1.32 0.00 0.00 176.35 175.22 1oiy h LEU 67 N 9.88 0.16 -7.00 -0.68 3.38 -0.78 -3.47 115.31 116.81 1oiy h LEU 67 Ca -0.24 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.62 1oiy h LEU 67 Cb 1.08 -0.05 -0.21 0.00 0.09 0.00 0.00 40.66 41.57 1oiy h LEU 67 CO 0.95 1.17 0.55 -0.62 0.09 0.00 0.00 178.44 180.58 1oiy s ASP 68 N -6.72 -0.35 -0.20 -0.43 2.15 -1.00 -5.00 116.67 105.12 1oiy s ASP 68 Ca -0.04 0.27 -0.00 0.00 0.43 0.00 0.00 52.55 53.22 1oiy s ASP 68 Cb 0.08 0.31 0.05 0.00 -0.30 0.00 0.00 42.92 43.06 1oiy s ASP 68 CO 0.84 -0.40 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.69 1oiy s VAL 69 N -1.70 1.30 -0.38 1.11 1.01 -1.26 -1.27 120.40 119.22 1oiy s VAL 69 Ca 0.01 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 1oiy s VAL 69 Cb -0.01 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1oiy s VAL 69 CO -0.01 0.03 0.25 -0.63 0.00 0.00 0.00 175.10 174.74 1oiy s ILE 70 N 1.53 5.07 -0.23 2.22 1.01 -0.33 -4.98 121.20 125.49 1oiy s ILE 70 Ca -0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 1oiy s ILE 70 Cb -0.17 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.58 1oiy s ILE 70 CO -0.07 -0.18 -0.10 -2.28 0.00 0.00 0.00 174.94 172.30 1oiy s HIS 71 N 1.66 3.01 0.46 3.97 2.46 -1.26 -0.00 115.29 125.59 1oiy s HIS 71 Ca 0.05 -1.62 0.04 0.00 0.47 0.00 0.00 55.06 53.99 1oiy s HIS 71 Cb -0.18 -2.01 -0.04 0.00 -0.13 0.00 0.00 32.58 30.21 1oiy s HIS 71 CO 0.09 -0.75 0.01 0.99 -2.47 0.00 0.00 174.74 172.61 1oiy s THR 72 N 1.30 1.54 0.10 0.89 2.01 0.50 -5.02 115.64 116.96 1oiy s THR 72 Ca 0.01 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 59.98 1oiy s THR 72 Cb -0.16 -2.56 -0.25 0.00 0.01 0.00 0.00 72.50 69.54 1oiy s THR 72 CO -0.07 0.00 1.21 1.05 -0.69 0.00 0.00 174.62 176.12 1oiy h GLU 73 N 1.56 0.27 0.00 4.92 4.11 -2.00 -3.37 114.58 120.07 1oiy h GLU 73 Ca -0.44 -0.40 -0.32 0.00 0.07 0.00 0.00 59.36 58.28 1oiy h GLU 73 Cb 1.28 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 1oiy h GLU 73 CO 0.77 1.15 -2.20 0.09 0.07 0.00 0.00 179.01 178.90 1oiy n ASN 74 N -3.57 1.25 -4.22 3.06 4.13 -1.26 -4.88 115.26 109.77 1oiy n ASN 74 Ca -0.07 -0.04 -0.26 0.00 1.68 0.00 0.00 54.58 55.90 1oiy n ASN 74 Cb 0.96 0.52 -0.15 0.00 -1.54 0.00 0.00 39.78 39.58 1oiy n ASN 74 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1oiy s LYS 75 N -2.42 1.46 -0.07 3.52 1.02 -1.26 0.36 119.74 122.35 1oiy s LYS 75 Ca -0.15 -0.80 0.05 0.00 0.02 0.00 0.00 55.97 55.09 1oiy s LYS 75 Cb 0.06 -1.48 -0.01 0.00 -0.52 0.00 0.00 37.83 35.88 1oiy s LYS 75 CO 0.64 0.39 -0.22 -1.17 -0.92 0.00 0.00 175.35 174.07 1oiy s LEU 76 N -0.78 2.25 -0.11 3.17 2.96 -0.03 -0.37 118.68 125.76 1oiy s LEU 76 Ca 0.07 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1oiy s LEU 76 Cb -0.08 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.19 1oiy s LEU 76 CO 0.00 0.24 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.76 1oiy s TYR 77 N -0.14 2.41 -0.22 5.38 2.02 1.00 0.34 117.35 128.13 1oiy s TYR 77 Ca -0.04 -1.08 -0.07 0.00 -0.37 0.00 0.00 57.07 55.51 1oiy s TYR 77 Cb -0.14 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 1oiy s TYR 77 CO 0.04 -0.48 0.07 -0.51 -1.57 0.00 0.00 175.55 173.10 1oiy s LEU 78 N 0.63 3.62 -0.41 -1.29 1.43 0.79 -1.18 118.68 122.26 1oiy s LEU 78 Ca -0.13 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 1oiy s LEU 78 Cb -0.16 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1oiy s LEU 78 CO 0.03 0.05 0.30 -0.69 0.23 0.00 0.00 176.35 176.27 1oiy s VAL 79 N 1.09 5.21 0.06 -1.59 1.01 -0.39 0.44 120.40 126.23 1oiy s VAL 79 Ca 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1oiy s VAL 79 Cb -0.14 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1oiy s VAL 79 CO 0.03 -0.32 0.03 -0.36 0.00 0.00 0.00 175.10 174.48 1oiy s PHE 80 N 1.67 3.08 0.35 5.22 0.40 0.17 -0.02 117.98 128.85 1oiy s PHE 80 Ca 0.05 0.04 -0.26 0.00 -0.60 0.00 0.00 56.93 56.16 1oiy s PHE 80 Cb -0.19 -1.60 -0.13 0.00 0.51 0.00 0.00 43.02 41.61 1oiy s PHE 80 CO 0.10 0.49 0.98 -0.85 0.70 0.00 0.00 175.22 176.63 1oiy n GLU 81 N 0.78 1.31 -3.90 0.44 0.28 -0.56 -0.97 120.64 118.03 1oiy n GLU 81 Ca -0.11 0.46 -0.36 0.00 -0.16 0.00 0.00 57.16 56.99 1oiy n GLU 81 Cb 0.52 -1.90 -0.07 0.00 1.43 0.00 0.00 31.44 31.41 1oiy n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1oiy s PHE 82 N -1.18 3.48 0.28 -1.84 5.36 -1.24 -4.29 117.98 118.55 1oiy s PHE 82 Ca 0.60 0.41 0.10 0.00 -0.96 0.00 0.00 56.93 57.09 1oiy s PHE 82 Cb -0.63 -1.99 -0.05 0.00 -0.34 0.00 0.00 43.02 40.00 1oiy s PHE 82 CO 0.59 0.56 -0.15 -0.51 -1.46 0.00 0.00 175.22 174.25 1oiy s LEU 83 N -0.57 2.61 0.09 6.12 1.02 -1.26 -4.97 118.68 121.71 1oiy s LEU 83 Ca 0.12 -1.09 0.16 0.00 0.02 0.00 0.00 54.13 53.34 1oiy s LEU 83 Cb -0.12 -0.95 -0.12 0.00 0.02 0.00 0.00 46.19 45.03 1oiy s LEU 83 CO 0.02 -0.10 0.91 0.45 0.02 0.00 0.00 176.35 177.65 1oiy h HIS 84 N 2.26 0.00 -2.12 0.29 3.86 -1.69 -3.48 115.15 114.26 1oiy h HIS 84 Ca -0.40 0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.04 1oiy h HIS 84 Cb 1.25 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.64 1oiy h HIS 84 CO 0.77 0.60 0.66 -1.14 0.86 0.00 0.00 177.93 179.67 1oiy s GLN 85 N -2.91 0.91 0.21 2.45 0.74 -1.12 -5.01 119.66 114.94 1oiy s GLN 85 Ca -0.02 -0.54 0.07 0.00 0.05 0.00 0.00 55.36 54.92 1oiy s GLN 85 Cb 0.09 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.44 1oiy s GLN 85 CO 0.80 -0.42 0.09 0.16 -0.55 0.00 0.00 175.29 175.37 1oiy s ASP 86 N -3.19 5.11 0.25 6.67 1.47 -1.26 -0.69 116.67 125.03 1oiy s ASP 86 Ca 0.18 -0.35 -0.03 0.00 1.18 0.00 0.00 52.55 53.53 1oiy s ASP 86 Cb 0.00 -1.19 0.50 0.00 -0.34 0.00 0.00 42.92 41.89 1oiy s ASP 86 CO 0.01 0.03 1.74 0.25 0.68 0.00 0.00 175.17 177.88 1oiy h LEU 87 N 2.12 0.38 0.72 2.11 5.85 -1.13 -0.41 115.31 124.95 1oiy h LEU 87 Ca -0.47 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1oiy h LEU 87 Cb 1.22 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1oiy h LEU 87 CO 0.60 0.15 -0.42 0.50 -0.34 0.00 0.00 178.44 178.93 1oiy h LYS 88 N 0.51 -1.03 -1.00 1.25 3.64 -1.85 0.68 116.57 118.78 1oiy h LYS 88 Ca 0.44 0.07 0.22 0.00 -1.27 0.00 0.00 60.65 60.11 1oiy h LYS 88 Cb 0.66 0.23 -0.11 0.00 -0.41 0.00 0.00 32.23 32.61 1oiy h LYS 88 CO -0.39 -0.69 0.62 -0.22 -2.27 0.00 0.00 179.45 176.50 1oiy h LYS 89 N -1.07 0.61 -0.09 1.90 3.64 -1.79 -2.20 116.57 117.57 1oiy h LYS 89 Ca -0.09 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.10 1oiy h LYS 89 Cb 0.85 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1oiy h LYS 89 CO 0.11 0.40 -0.52 0.35 -2.27 0.00 0.00 179.45 177.52 1oiy h PHE 90 N 0.62 0.69 -0.32 1.91 3.57 -0.18 -2.72 116.94 120.52 1oiy h PHE 90 Ca 0.59 -0.31 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 1oiy h PHE 90 Cb 1.11 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1oiy h PHE 90 CO -0.00 1.09 -0.06 0.52 -2.23 0.00 0.00 178.31 177.62 1oiy h MET 91 N 0.09 0.52 -0.06 1.11 2.86 0.70 0.36 114.93 120.51 1oiy h MET 91 Ca -0.04 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 1oiy h MET 91 Cb 1.17 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1oiy h MET 91 CO 0.11 0.60 -0.38 -0.44 1.06 0.00 0.00 176.91 177.85 1oiy h ASP 92 N 0.49 0.14 0.57 1.22 3.32 -1.41 -2.19 116.42 118.55 1oiy h ASP 92 Ca 0.10 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.92 1oiy h ASP 92 Cb 0.42 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1oiy h ASP 92 CO 0.02 0.51 -0.78 0.00 -1.72 0.00 0.00 179.24 177.27 1oiy h ALA 93 N 1.50 0.66 0.00 3.45 0.00 -1.03 -2.69 119.26 121.14 1oiy h ALA 93 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1oiy h ALA 93 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1oiy h ALA 93 CO 0.06 0.88 0.00 0.43 0.00 0.00 0.00 179.25 180.61 1oiy n SER 94 N -3.71 0.00 0.00 0.00 7.64 0.12 -4.30 113.62 113.37 1oiy n SER 94 Ca -0.03 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1oiy n SER 94 Cb 0.74 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1oiy n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oiy n ALA 95 N -0.95 0.00 -0.03 -0.43 0.00 -0.86 0.78 120.51 119.03 1oiy n ALA 95 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.60 1oiy n ALA 95 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 1oiy n ALA 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1oiy n LEU 96 N -2.61 0.62 -0.18 0.00 4.77 -1.26 -4.29 117.00 114.04 1oiy n LEU 96 Ca 0.00 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.20 1oiy n LEU 96 Cb 0.00 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.50 1oiy n LEU 96 CO 0.00 -0.45 0.26 0.41 -1.33 0.00 0.00 177.39 176.28 1oiy n THR 97 N -3.09 -0.25 -0.36 -5.08 -1.04 -1.21 -4.98 114.28 98.28 1oiy n THR 97 Ca -0.04 1.08 0.02 0.00 -2.04 0.00 0.00 64.05 63.07 1oiy n THR 97 Cb 0.13 -1.41 -0.01 0.00 -1.82 0.00 0.00 70.33 67.22 1oiy n THR 97 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1oiy n GLY 98 N -1.21 -2.98 3.62 3.41 0.00 0.23 -4.90 105.19 103.37 1oiy n GLY 98 Ca 0.04 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 1oiy n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oiy s ILE 99 N -3.93 4.75 0.34 -0.61 1.01 -1.26 -4.98 121.20 116.53 1oiy s ILE 99 Ca 0.00 1.32 -0.29 0.00 0.00 0.00 0.00 60.65 61.68 1oiy s ILE 99 Cb 0.00 -4.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.17 1oiy s ILE 99 CO 0.00 -0.27 1.38 -2.84 0.00 0.00 0.00 174.94 173.21 1oiy s PRO 100 N 3.06 4.26 0.30 2.79 0.02 -1.26 -4.75 135.00 139.42 1oiy s PRO 100 Ca 0.35 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 63.72 1oiy s PRO 100 Cb -0.14 -3.03 0.68 0.00 0.02 0.00 0.00 34.50 32.03 1oiy s PRO 100 CO 0.12 -0.33 1.57 1.25 -0.33 0.00 0.00 177.00 179.28 1oiy h LEU 101 N 3.35 -0.60 -1.12 -5.54 6.46 -1.98 0.65 115.31 116.53 1oiy h LEU 101 Ca -0.49 0.29 0.05 0.00 -0.12 0.00 0.00 57.88 57.60 1oiy h LEU 101 Cb 1.23 0.52 -0.06 0.00 -0.73 0.00 0.00 40.66 41.63 1oiy h LEU 101 CO 0.66 -0.35 0.60 -0.65 -0.62 0.00 0.00 178.44 178.07 1oiy h PRO 102 N 0.00 1.07 -0.25 5.25 0.11 -1.99 0.97 132.00 137.16 1oiy h PRO 102 Ca 0.57 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.44 1oiy h PRO 102 Cb 1.11 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1oiy h PRO 102 CO -0.95 0.71 -0.55 1.25 -0.21 0.00 0.00 178.00 178.24 1oiy h LEU 103 N 1.11 0.86 -0.29 2.35 5.85 -1.26 -2.04 115.31 121.88 1oiy h LEU 103 Ca 0.37 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1oiy h LEU 103 Cb 0.09 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1oiy h LEU 103 CO -0.13 1.24 0.14 0.40 -0.34 0.00 0.00 178.44 179.75 1oiy h ILE 104 N 0.59 0.98 -0.48 4.05 2.04 -0.86 -1.93 117.51 121.91 1oiy h ILE 104 Ca 0.01 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1oiy h ILE 104 Cb 1.14 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1oiy h ILE 104 CO 0.12 0.05 0.15 0.50 0.00 0.00 0.00 178.15 178.97 1oiy h LYS 105 N 0.30 0.75 0.26 2.37 3.64 -0.78 -0.11 116.57 123.00 1oiy h LYS 105 Ca 0.12 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1oiy h LYS 105 Cb 0.04 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1oiy h LYS 105 CO -0.09 0.71 -0.21 1.03 -2.27 0.00 0.00 179.45 178.63 1oiy h SER 106 N 0.65 -0.54 -0.84 4.20 0.87 -1.23 0.11 113.55 116.77 1oiy h SER 106 Ca 0.16 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1oiy h SER 106 Cb 0.27 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 1oiy h SER 106 CO -0.00 -0.32 0.49 1.88 -0.53 0.00 0.00 176.83 178.34 1oiy h TYR 107 N -0.48 1.14 -0.43 2.24 0.05 -1.19 0.16 116.97 118.45 1oiy h TYR 107 Ca -0.02 -0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.63 1oiy h TYR 107 Cb 0.42 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1oiy h TYR 107 CO -0.13 0.77 -0.20 1.25 -1.05 0.00 0.00 178.16 178.81 1oiy h LEU 108 N 1.18 0.85 -0.26 3.88 5.85 -0.56 0.14 115.31 126.39 1oiy h LEU 108 Ca 0.30 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1oiy h LEU 108 Cb -0.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1oiy h LEU 108 CO -0.05 1.03 -0.03 0.15 -0.34 0.00 0.00 178.44 179.20 1oiy h PHE 109 N 0.74 0.52 -0.06 1.25 3.57 0.28 -0.22 116.94 123.02 1oiy h PHE 109 Ca 0.10 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1oiy h PHE 109 Cb 0.73 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 1oiy h PHE 109 CO 0.04 0.66 0.04 1.96 -2.23 0.00 0.00 178.31 178.78 1oiy h GLN 110 N 0.24 0.08 -0.69 1.11 4.20 -0.50 -1.51 115.11 118.04 1oiy h GLN 110 Ca 0.07 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1oiy h GLN 110 Cb 0.47 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1oiy h GLN 110 CO 0.02 0.08 0.45 -0.07 -0.67 0.00 0.00 178.83 178.64 1oiy h LEU 111 N 0.07 0.80 -1.17 1.46 3.38 -0.54 -0.07 115.31 119.23 1oiy h LEU 111 Ca 0.02 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1oiy h LEU 111 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1oiy h LEU 111 CO -0.00 0.58 -0.26 -0.07 0.09 0.00 0.00 178.44 178.77 1oiy h LEU 112 N 0.94 0.24 -0.19 1.67 3.38 -0.78 -1.35 115.31 119.22 1oiy h LEU 112 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1oiy h LEU 112 Cb -0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1oiy h LEU 112 CO -0.05 0.51 0.06 1.56 0.09 0.00 0.00 178.44 180.61 1oiy h GLN 113 N 0.22 0.29 -0.22 1.13 4.20 -0.01 0.26 115.11 120.99 1oiy h GLN 113 Ca 0.03 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 1oiy h GLN 113 Cb 0.59 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.33 1oiy h GLN 113 CO 0.04 0.39 -0.66 0.78 -0.67 0.00 0.00 178.83 178.71 1oiy h GLY 114 N 0.13 0.91 0.95 3.46 0.00 -0.98 -1.83 103.07 105.71 1oiy h GLY 114 Ca 0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.20 1oiy h GLY 114 CO -0.00 1.05 0.18 -2.00 0.00 0.00 0.00 176.54 175.77 1oiy h LEU 115 N 0.59 0.44 -0.37 3.11 5.85 -1.28 -2.05 115.31 121.61 1oiy h LEU 115 Ca -0.02 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1oiy h LEU 115 Cb 1.28 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 1oiy h LEU 115 CO 0.14 0.42 -0.20 0.00 -0.34 0.00 0.00 178.44 178.46 1oiy h ALA 116 N 1.04 0.06 -0.85 1.25 0.00 -0.24 -0.77 119.26 119.75 1oiy h ALA 116 Ca 0.12 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1oiy h ALA 116 Cb 0.09 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1oiy h ALA 116 CO -0.02 -0.58 0.56 0.35 0.00 0.00 0.00 179.25 179.56 1oiy h PHE 117 N -0.14 1.02 0.22 0.00 3.57 -1.21 0.61 116.94 121.00 1oiy h PHE 117 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1oiy h PHE 117 Cb 0.43 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1oiy h PHE 117 CO -0.43 0.59 -0.11 0.00 -2.23 0.00 0.00 178.31 176.14 1oiy h HIS 119 N -0.51 0.64 0.00 0.00 3.86 -0.81 0.24 115.15 118.57 1oiy h HIS 119 Ca -0.03 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1oiy h HIS 119 Cb 0.38 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 1oiy h HIS 119 CO -0.00 0.49 -0.06 0.77 0.86 0.00 0.00 177.93 179.99 1oiy h SER 120 N 0.65 0.00 -1.02 2.45 0.02 -0.86 -2.94 113.55 111.86 1oiy h SER 120 Ca 0.16 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.45 1oiy h SER 120 Cb 0.10 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.32 1oiy h SER 120 CO -0.02 0.06 0.52 1.41 -1.14 0.00 0.00 176.83 177.66 1oiy n HIS 121 N -3.17 3.13 -4.15 3.45 8.25 -0.46 -4.93 115.22 117.33 1oiy n HIS 121 Ca 0.01 -2.83 -0.29 0.00 -0.26 0.00 0.00 57.72 54.34 1oiy n HIS 121 Cb 0.35 -1.19 -0.09 0.00 1.12 0.00 0.00 29.99 30.17 1oiy n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1oiy n ARG 122 N -0.85 -0.92 -4.86 -0.41 -4.01 -1.10 -4.92 116.66 99.60 1oiy n ARG 122 Ca 0.58 0.09 -0.27 0.00 -1.04 0.00 0.00 57.85 57.21 1oiy n ARG 122 Cb 0.70 -3.35 -0.17 0.00 -3.04 0.00 0.00 32.46 26.60 1oiy n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1oiy s VAL 123 N -4.08 1.51 -0.15 8.89 1.01 0.71 -0.87 120.40 127.43 1oiy s VAL 123 Ca 0.10 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1oiy s VAL 123 Cb -0.06 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1oiy s VAL 123 CO 0.90 0.44 0.12 -0.76 0.00 0.00 0.00 175.10 175.79 1oiy s LEU 124 N 0.39 4.19 -0.19 3.92 1.43 0.48 -3.62 118.68 125.28 1oiy s LEU 124 Ca -0.13 0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.09 1oiy s LEU 124 Cb -0.15 -2.04 -0.17 0.00 0.03 0.00 0.00 46.19 43.86 1oiy s LEU 124 CO 0.05 0.31 0.18 -0.74 0.23 0.00 0.00 176.35 176.38 1oiy h HIS 125 N 5.71 0.00 0.00 0.29 -0.00 -1.89 0.19 115.15 119.45 1oiy h HIS 125 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 1oiy h HIS 125 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 1oiy h HIS 125 CO 0.67 1.24 0.00 0.54 -0.00 0.00 0.00 177.93 180.38 1oiy n ARG 126 N -4.47 0.00 -1.82 5.26 1.74 -1.26 -2.65 116.66 113.45 1oiy n ARG 126 Ca -0.27 0.16 -0.04 0.00 -0.77 0.00 0.00 57.85 56.92 1oiy n ARG 126 Cb 0.60 -3.21 0.03 0.00 -1.02 0.00 0.00 32.46 28.86 1oiy n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1oiy n ASP 127 N 0.63 -1.16 -4.72 0.55 2.03 -1.26 -2.95 116.55 109.66 1oiy n ASP 127 Ca 0.00 -2.10 -0.42 0.00 0.52 0.00 0.00 54.79 52.79 1oiy n ASP 127 Cb 0.00 0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 40.84 1oiy n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1oiy s LEU 128 N -2.01 4.38 -0.16 -2.67 1.43 -1.26 -4.83 118.68 113.56 1oiy s LEU 128 Ca 0.05 2.51 -0.31 0.00 -1.03 0.00 0.00 54.13 55.35 1oiy s LEU 128 Cb 0.22 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.98 1oiy s LEU 128 CO -0.06 -0.72 1.08 -1.59 0.23 0.00 0.00 176.35 175.29 1oiy s LYS 129 N 0.78 0.48 0.39 1.70 -2.85 -1.26 -4.85 119.74 114.13 1oiy s LYS 129 Ca 0.65 -0.01 0.15 0.00 -1.00 0.00 0.00 55.97 55.76 1oiy s LYS 129 Cb -0.40 0.23 1.02 0.00 -2.06 0.00 0.00 37.83 36.61 1oiy s LYS 129 CO 0.33 -0.18 1.82 -1.35 0.10 0.00 0.00 175.35 176.08 1oiy h PRO 130 N 2.25 0.47 -0.51 1.78 0.11 -1.93 -0.41 132.00 133.76 1oiy h PRO 130 Ca -0.15 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.95 1oiy h PRO 130 Cb 1.18 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1oiy h PRO 130 CO 0.28 0.31 0.34 0.37 -0.21 0.00 0.00 178.00 179.09 1oiy h GLN 131 N 0.48 0.61 -0.01 1.05 4.15 -1.95 -1.83 115.11 117.62 1oiy h GLN 131 Ca 0.52 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.90 1oiy h GLN 131 Cb 1.18 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1oiy h GLN 131 CO -0.24 0.41 -0.03 0.09 -1.93 0.00 0.00 178.83 177.13 1oiy n ASN 132 N -4.47 0.78 -4.29 -0.69 3.02 -0.17 -4.79 115.26 104.65 1oiy n ASN 132 Ca 0.05 -1.14 -0.36 0.00 -0.03 0.00 0.00 54.58 53.10 1oiy n ASN 132 Cb 0.10 -0.01 -0.13 0.00 -0.61 0.00 0.00 39.78 39.13 1oiy n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1oiy s LEU 133 N -2.10 3.60 0.05 3.41 1.43 -0.70 -0.54 118.68 123.82 1oiy s LEU 133 Ca 0.39 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1oiy s LEU 133 Cb 0.21 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1oiy s LEU 133 CO 0.38 -0.17 0.05 -0.76 0.23 0.00 0.00 176.35 176.09 1oiy s LEU 134 N 1.43 3.72 0.07 1.79 1.43 -0.20 -1.34 118.68 125.59 1oiy s LEU 134 Ca 0.02 0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1oiy s LEU 134 Cb -0.17 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1oiy s LEU 134 CO -0.00 0.22 -0.16 0.27 0.23 0.00 0.00 176.35 176.91 1oiy s ILE 135 N -1.27 1.23 0.48 -0.59 -4.36 0.13 -0.31 121.20 116.50 1oiy s ILE 135 Ca 0.25 -1.31 0.03 0.00 -0.26 0.00 0.00 60.65 59.36 1oiy s ILE 135 Cb -0.12 -1.16 0.03 0.00 1.25 0.00 0.00 42.46 42.46 1oiy s ILE 135 CO 0.17 -0.16 0.25 -0.46 0.24 0.00 0.00 174.94 174.99 1oiy n ASN 136 N 1.32 2.77 0.05 4.36 0.23 -0.22 -1.67 115.26 122.10 1oiy n ASN 136 Ca -0.20 -2.78 0.12 0.00 -0.53 0.00 0.00 54.58 51.19 1oiy n ASN 136 Cb 0.54 0.07 0.22 0.00 -2.08 0.00 0.00 39.78 38.53 1oiy n ASN 136 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1oiy n THR 137 N -1.49 0.28 1.46 5.53 -2.24 -1.26 -2.91 114.28 113.65 1oiy n THR 137 Ca -0.07 -0.21 0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1oiy n THR 137 Cb 0.56 -0.10 0.68 0.00 -2.10 0.00 0.00 70.33 69.37 1oiy n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oiy n GLU 138 N -1.97 0.64 -0.09 -0.78 -0.58 -1.26 -4.64 120.64 111.96 1oiy n GLU 138 Ca 0.04 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1oiy n GLU 138 Cb 0.41 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 1oiy n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oiy n GLY 139 N 1.26 0.62 3.77 0.62 0.00 -1.15 -4.53 105.19 105.79 1oiy n GLY 139 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1oiy n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oiy s ALA 140 N -2.15 3.18 0.13 4.61 0.00 -1.26 -4.87 121.76 121.40 1oiy s ALA 140 Ca 0.00 0.77 0.09 0.00 0.00 0.00 0.00 51.96 52.82 1oiy s ALA 140 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1oiy s ALA 140 CO 0.00 -0.21 -0.21 -1.50 0.00 0.00 0.00 175.76 173.84 1oiy s ILE 141 N -1.49 1.85 -0.12 0.00 2.07 -1.26 -1.06 121.20 121.19 1oiy s ILE 141 Ca 0.54 -1.69 -0.11 0.00 -1.41 0.00 0.00 60.65 57.98 1oiy s ILE 141 Cb -0.25 -1.72 0.03 0.00 0.13 0.00 0.00 42.46 40.65 1oiy s ILE 141 CO 0.32 -0.10 0.32 -0.54 -1.91 0.00 0.00 174.94 173.03 1oiy s LYS 142 N -2.18 0.37 0.14 3.50 1.02 0.57 -4.61 119.74 118.55 1oiy s LYS 142 Ca 0.10 0.47 -0.31 0.00 0.02 0.00 0.00 55.97 56.25 1oiy s LYS 142 Cb -0.09 0.15 -0.09 0.00 -0.52 0.00 0.00 37.83 37.29 1oiy s LYS 142 CO 0.05 -0.06 1.46 -0.51 -0.92 0.00 0.00 175.35 175.38 1oiy s LEU 143 N 0.31 4.37 0.00 3.17 1.43 -0.28 -1.04 118.68 126.64 1oiy s LEU 143 Ca -0.01 2.45 0.03 0.00 -1.03 0.00 0.00 54.13 55.56 1oiy s LEU 143 Cb -0.03 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1oiy s LEU 143 CO -0.01 -0.72 0.09 0.00 0.23 0.00 0.00 176.35 175.94 1oiy n ALA 144 N 3.94 0.48 -3.13 4.21 0.00 0.29 -1.70 120.51 124.60 1oiy n ALA 144 Ca 0.12 -1.94 -0.19 0.00 0.00 0.00 0.00 53.44 51.43 1oiy n ALA 144 Cb 0.41 1.23 0.02 0.00 0.00 0.00 0.00 19.45 21.11 1oiy n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1oiy n ASP 145 N -1.48 -6.96 -1.47 0.00 -0.08 -1.26 -4.85 116.55 100.44 1oiy n ASP 145 Ca -0.09 0.20 -0.01 0.00 -1.51 0.00 0.00 54.79 53.38 1oiy n ASP 145 Cb 0.56 -3.93 0.21 0.00 2.34 0.00 0.00 41.12 40.31 1oiy n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1oiy n PHE 146 N -0.43 1.46 0.29 -0.67 3.01 -1.26 -4.37 117.46 115.50 1oiy n PHE 146 Ca 0.02 -0.69 0.16 0.00 1.01 0.00 0.00 57.45 57.96 1oiy n PHE 146 Cb 0.55 -0.45 0.87 0.00 -0.01 0.00 0.00 39.48 40.44 1oiy n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1oiy h GLY 147 N 3.78 0.00 -0.89 1.37 0.00 -1.91 -2.39 103.07 103.03 1oiy h GLY 147 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1oiy h GLY 147 CO 0.41 0.00 -0.28 1.04 0.00 0.00 0.00 176.54 177.71 1oiy n LEU 148 N -3.40 1.98 -4.70 3.11 4.32 -1.26 -4.60 117.00 112.45 1oiy n LEU 148 Ca -0.02 -0.68 -0.31 0.00 -0.02 0.00 0.00 56.01 54.98 1oiy n LEU 148 Cb 0.19 -0.03 0.14 0.00 -1.62 0.00 0.00 43.42 42.11 1oiy n LEU 148 CO 0.27 0.35 0.67 0.00 -1.22 0.00 0.00 177.39 177.46 1oiy s ALA 149 N -2.33 1.58 -0.10 -1.18 0.00 -0.90 -4.65 121.76 114.18 1oiy s ALA 149 Ca 0.24 0.33 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 1oiy s ALA 149 Cb 0.19 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 20.03 1oiy s ALA 149 CO 0.48 -2.47 0.56 -0.98 0.00 0.00 0.00 175.76 173.35 1oiy s ARG 150 N -4.76 0.83 0.05 0.00 1.04 0.67 -4.87 118.95 111.91 1oiy s ARG 150 Ca 0.65 0.35 -0.31 0.00 -1.04 0.00 0.00 55.73 55.37 1oiy s ARG 150 Cb -0.20 0.39 -0.06 0.00 -2.04 0.00 0.00 34.95 33.04 1oiy s ARG 150 CO 0.58 -0.21 1.24 0.00 -0.04 0.00 0.00 175.30 176.87 1oiy s ALA 151 N -0.69 3.44 0.51 7.88 0.00 -1.26 -0.39 121.76 131.25 1oiy s ALA 151 Ca -0.08 0.87 0.06 0.00 0.00 0.00 0.00 51.96 52.81 1oiy s ALA 151 Cb -0.03 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1oiy s ALA 151 CO 0.05 -0.52 0.38 -0.59 0.00 0.00 0.00 175.76 175.08 1oiy s PHE 152 N 1.27 1.91 0.45 0.00 -0.71 -0.05 -4.94 117.98 115.92 1oiy s PHE 152 Ca 0.60 -0.76 0.05 0.00 -1.04 0.00 0.00 56.93 55.78 1oiy s PHE 152 Cb -0.30 -1.96 -0.05 0.00 -1.21 0.00 0.00 43.02 39.50 1oiy s PHE 152 CO 0.28 -0.35 0.03 0.20 -1.34 0.00 0.00 175.22 174.05 1oiy s GLY 153 N -4.22 2.70 -0.19 1.99 0.00 -1.26 -4.91 107.32 101.44 1oiy s GLY 153 Ca 0.37 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1oiy s GLY 153 CO 0.22 -2.12 -0.14 0.14 0.00 0.00 0.00 173.10 171.20 1oiy s VAL 154 N -2.77 1.81 0.80 1.40 1.01 -1.26 -2.88 120.40 118.51 1oiy s VAL 154 Ca 0.24 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1oiy s VAL 154 Cb 0.06 -1.77 0.11 0.00 0.00 0.00 0.00 36.38 34.78 1oiy s VAL 154 CO 0.13 0.32 1.13 -2.16 0.00 0.00 0.00 175.10 174.52 1oiy s PRO 155 N 1.35 1.67 0.75 2.72 0.04 -1.26 -5.09 135.00 135.18 1oiy s PRO 155 Ca 0.01 -0.32 -0.12 0.00 0.04 0.00 0.00 61.00 60.61 1oiy s PRO 155 Cb -0.15 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.38 1oiy s PRO 155 CO -0.10 -1.65 1.11 0.14 0.04 0.00 0.00 177.00 176.54 1oiy s VAL 156 N -3.48 3.10 0.09 -0.36 -7.23 -1.14 -5.06 120.40 106.33 1oiy s VAL 156 Ca 0.65 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 61.24 1oiy s VAL 156 Cb -0.08 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.00 1oiy s VAL 156 CO 0.48 -0.42 0.04 -2.11 -0.31 0.00 0.00 175.10 172.78 1oiy n ARG 157 N -3.22 1.56 -2.61 4.82 1.85 -1.26 -5.00 116.66 112.79 1oiy n ARG 157 Ca 0.10 -0.60 -0.40 0.00 -1.00 0.00 0.00 57.85 55.95 1oiy n ARG 157 Cb 0.52 0.11 -0.05 0.00 -1.05 0.00 0.00 32.46 31.99 1oiy n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1oiy s THR 158 N -0.85 3.82 0.07 8.89 2.01 -1.25 -4.72 115.64 123.61 1oiy s THR 158 Ca 0.03 1.80 0.00 0.00 0.31 0.00 0.00 61.69 63.82 1oiy s THR 158 Cb -0.00 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1oiy s THR 158 CO 0.02 0.41 0.00 -1.22 -0.69 0.00 0.00 174.62 173.14 1oiy n TYR 159 N 1.49 -0.53 0.00 4.92 4.01 -1.26 -5.11 117.16 120.68 1oiy n TYR 159 Ca -0.01 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1oiy n TYR 159 Cb 0.46 0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 1oiy n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1oiy n HIS 161 N -2.83 0.00 -2.37 -0.72 -0.00 -1.26 -5.05 115.22 103.00 1oiy n HIS 161 Ca 0.00 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 1oiy n HIS 161 Cb 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.95 1oiy n HIS 161 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1oiy n GLU 162 N -0.97 3.29 -3.88 1.57 4.71 -1.26 -4.91 120.64 119.19 1oiy n GLU 162 Ca 0.00 -3.32 -0.13 0.00 -0.01 0.00 0.00 57.16 53.70 1oiy n GLU 162 Cb 0.12 -3.15 -0.15 0.00 -1.01 0.00 0.00 31.44 27.25 1oiy n GLU 162 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1oiy s VAL 163 N 2.09 0.04 0.00 2.62 1.01 -1.26 -5.08 120.40 119.83 1oiy s VAL 163 Ca 0.45 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1oiy s VAL 163 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.37 1oiy s VAL 163 CO -0.01 0.04 0.00 0.52 0.00 0.00 0.00 175.10 175.66 1oiy n VAL 164 N 3.41 -0.87 -1.56 2.92 0.31 -1.15 -4.91 118.33 116.49 1oiy n VAL 164 Ca -0.17 0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.66 1oiy n VAL 164 Cb 0.57 -0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 32.58 1oiy n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1oiy n THR 165 N 0.43 0.81 -0.32 2.52 -1.04 -1.26 -4.65 114.28 110.77 1oiy n THR 165 Ca 0.00 -0.20 0.12 0.00 -2.04 0.00 0.00 64.05 61.93 1oiy n THR 165 Cb 0.00 -0.68 0.30 0.00 -1.82 0.00 0.00 70.33 68.14 1oiy n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1oiy h LEU 166 N 3.22 0.54 -1.93 -4.42 5.85 -1.96 -0.15 115.31 116.47 1oiy h LEU 166 Ca -0.43 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1oiy h LEU 166 Cb 1.36 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 1oiy h LEU 166 CO 0.69 0.13 -0.11 -0.50 -0.34 0.00 0.00 178.44 178.30 1oiy h TRP 167 N 0.56 0.00 -0.32 1.25 6.55 -1.87 -2.90 115.95 119.23 1oiy h TRP 167 Ca 0.56 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.40 1oiy h TRP 167 Cb 0.96 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.26 1oiy h TRP 167 CO -0.07 0.11 0.00 0.66 -1.05 0.00 0.00 178.44 178.09 1oiy n TYR 168 N -3.66 0.42 -2.91 0.49 4.01 -0.12 -4.56 117.16 110.83 1oiy n TYR 168 Ca -0.02 -0.29 -0.40 0.00 -0.16 0.00 0.00 57.90 57.03 1oiy n TYR 168 Cb 0.23 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.21 1oiy n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1oiy s ARG 169 N -1.18 4.51 0.62 -0.72 3.52 -0.90 -3.86 118.95 120.96 1oiy s ARG 169 Ca 0.29 1.14 -0.16 0.00 -0.13 0.00 0.00 55.73 56.86 1oiy s ARG 169 Cb 0.17 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1oiy s ARG 169 CO 0.23 0.13 1.12 0.00 -0.81 0.00 0.00 175.30 175.97 1oiy s ALA 170 N 0.48 2.53 0.49 6.12 0.00 -1.26 -4.87 121.76 125.25 1oiy s ALA 170 Ca 0.42 0.65 0.28 0.00 0.00 0.00 0.00 51.96 53.32 1oiy s ALA 170 Cb -0.20 -3.34 1.61 0.00 0.00 0.00 0.00 23.12 21.19 1oiy s ALA 170 CO 0.23 -1.14 2.15 -1.00 0.00 0.00 0.00 175.76 176.01 1oiy h PRO 171 N 0.39 0.00 0.00 0.00 0.13 -1.96 -1.23 132.00 129.33 1oiy h PRO 171 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1oiy h PRO 171 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1oiy h PRO 171 CO 0.55 0.07 -0.80 1.05 -0.23 0.00 0.00 178.00 178.64 1oiy h GLU 172 N 0.00 0.00 0.19 0.86 9.09 -1.91 -0.11 114.58 122.70 1oiy h GLU 172 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1oiy h GLU 172 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1oiy h GLU 172 CO 0.01 0.80 -0.09 0.82 0.05 0.00 0.00 179.01 180.59 1oiy h ILE 173 N 0.00 0.73 -1.00 -1.06 2.04 -1.58 -0.78 117.51 115.86 1oiy h ILE 173 Ca -0.01 -1.06 0.35 0.00 1.00 0.00 0.00 64.86 65.14 1oiy h ILE 173 Cb 1.46 1.23 -0.16 0.00 -0.74 0.00 0.00 36.82 38.61 1oiy h ILE 173 CO 0.10 0.19 0.56 -0.07 0.00 0.00 0.00 178.15 178.94 1oiy h LEU 174 N -0.89 0.47 -1.16 1.44 3.38 -1.41 0.21 115.31 117.35 1oiy h LEU 174 Ca -0.03 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1oiy h LEU 174 Cb 0.51 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1oiy h LEU 174 CO 0.04 -0.21 0.00 0.18 0.09 0.00 0.00 178.44 178.54 1oiy n LEU 175 N -5.10 1.71 -0.59 1.67 4.77 -0.06 -4.84 117.00 114.56 1oiy n LEU 175 Ca 0.33 -0.79 -0.06 0.00 -0.03 0.00 0.00 56.01 55.47 1oiy n LEU 175 Cb 1.06 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.98 1oiy n LEU 175 CO 0.08 0.40 -0.07 0.61 -1.33 0.00 0.00 177.39 177.07 1oiy n GLY 176 N 1.08 0.30 3.76 -0.72 0.00 0.75 -1.79 105.19 108.58 1oiy n GLY 176 Ca 0.14 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1oiy n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oiy h LYS 178 N 3.91 0.00 -4.39 0.00 1.57 -1.93 -3.41 116.57 112.32 1oiy h LYS 178 Ca -0.49 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.73 1oiy h LYS 178 Cb 1.23 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.17 1oiy h LYS 178 CO 0.71 0.00 -0.81 0.71 -0.57 0.00 0.00 179.45 179.49 1oiy s TYR 179 N -3.38 1.88 0.31 -1.35 2.02 -1.26 -3.95 117.35 111.62 1oiy s TYR 179 Ca 0.05 -1.09 0.11 0.00 -0.37 0.00 0.00 57.07 55.76 1oiy s TYR 179 Cb 0.09 -1.42 -0.06 0.00 -0.40 0.00 0.00 41.96 40.17 1oiy s TYR 179 CO 0.54 -0.62 -0.13 1.52 -1.57 0.00 0.00 175.55 175.29 1oiy s TYR 180 N 1.58 2.38 0.00 2.71 -0.85 -1.26 -5.02 117.35 116.88 1oiy s TYR 180 Ca 0.03 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.17 1oiy s TYR 180 Cb -0.14 -1.21 0.00 0.00 0.38 0.00 0.00 41.96 40.99 1oiy s TYR 180 CO -0.09 0.64 0.00 -1.13 -1.52 0.00 0.00 175.55 173.45 1oiy n SER 181 N -0.73 0.00 0.30 -0.18 3.41 -1.26 -4.92 113.62 110.24 1oiy n SER 181 Ca -0.05 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.76 1oiy n SER 181 Cb 0.62 0.00 0.91 0.00 -0.26 0.00 0.00 64.21 65.48 1oiy n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1oiy h THR 182 N 0.00 0.01 -0.07 6.66 1.35 -1.98 -2.10 112.91 116.79 1oiy h THR 182 Ca 0.00 -0.30 -0.05 0.00 -0.55 0.00 0.00 66.41 65.51 1oiy h THR 182 Cb 0.00 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1oiy h THR 182 CO 0.00 0.00 -0.18 0.00 -0.25 0.00 0.00 175.52 175.09 1oiy h ALA 183 N 2.00 1.58 -0.90 6.62 0.00 -1.93 -1.75 119.26 124.87 1oiy h ALA 183 Ca -0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1oiy h ALA 183 Cb 0.30 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1oiy h ALA 183 CO 0.00 0.31 0.57 -0.39 0.00 0.00 0.00 179.25 179.74 1oiy h VAL 184 N 0.10 1.06 -0.20 0.00 -1.51 -1.78 -2.26 116.25 111.65 1oiy h VAL 184 Ca 0.02 -0.35 -0.11 0.00 -1.23 0.00 0.00 66.70 65.03 1oiy h VAL 184 Cb 0.38 -0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 29.46 1oiy h VAL 184 CO 0.03 0.19 -0.35 0.44 -1.23 0.00 0.00 177.57 176.65 1oiy h ASP 185 N 1.03 0.44 -0.13 4.19 3.32 -1.52 -2.07 116.42 121.68 1oiy h ASP 185 Ca 0.39 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1oiy h ASP 185 Cb 0.17 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1oiy h ASP 185 CO -0.17 0.76 0.02 0.40 -1.72 0.00 0.00 179.24 178.53 1oiy h ILE 186 N 0.36 1.22 -0.73 0.35 1.08 -1.27 -1.57 117.51 116.95 1oiy h ILE 186 Ca 0.04 -0.69 0.15 0.00 -0.39 0.00 0.00 64.86 63.98 1oiy h ILE 186 Cb 0.78 1.42 -0.11 0.00 -3.07 0.00 0.00 36.82 35.85 1oiy h ILE 186 CO 0.06 0.20 0.20 -0.25 -0.69 0.00 0.00 178.15 177.67 1oiy h TRP 187 N -0.01 0.31 -0.40 1.37 2.91 -1.33 0.53 115.95 119.34 1oiy h TRP 187 Ca 0.04 0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.14 1oiy h TRP 187 Cb 0.29 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.88 1oiy h TRP 187 CO 0.02 -0.06 0.18 0.77 -1.03 0.00 0.00 178.44 178.32 1oiy h SER 188 N 0.29 0.25 -0.08 2.65 0.02 -1.16 -1.44 113.55 114.09 1oiy h SER 188 Ca 0.41 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.25 1oiy h SER 188 Cb 0.69 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1oiy h SER 188 CO -0.49 0.19 -0.43 -0.07 -1.14 0.00 0.00 176.83 174.89 1oiy h LEU 189 N 0.38 0.66 -0.56 5.07 3.38 0.46 -1.05 115.31 123.64 1oiy h LEU 189 Ca 0.17 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.95 1oiy h LEU 189 Cb 0.10 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.57 1oiy h LEU 189 CO -0.14 1.00 -0.03 1.23 0.09 0.00 0.00 178.44 180.60 1oiy h GLY 190 N 1.02 0.56 1.27 0.83 0.00 0.25 0.77 103.07 107.76 1oiy h GLY 190 Ca 0.04 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 1oiy h GLY 190 CO 0.09 -0.18 0.09 0.00 0.00 0.00 0.00 176.54 176.53 1oiy h ILE 192 N 0.86 1.32 -0.33 0.00 2.04 -0.41 -2.22 117.51 118.77 1oiy h ILE 192 Ca 0.18 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.37 1oiy h ILE 192 Cb 0.38 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1oiy h ILE 192 CO 0.01 0.49 0.03 0.15 0.00 0.00 0.00 178.15 178.83 1oiy h PHE 193 N 0.26 0.61 -0.20 1.37 3.57 0.42 0.31 116.94 123.28 1oiy h PHE 193 Ca 0.02 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1oiy h PHE 193 Cb 0.90 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1oiy h PHE 193 CO 0.02 0.65 0.07 0.00 -2.23 0.00 0.00 178.31 176.83 1oiy h ALA 194 N 0.88 1.76 0.00 2.41 0.00 -1.18 -2.73 119.26 120.41 1oiy h ALA 194 Ca 0.10 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1oiy h ALA 194 Cb 0.39 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1oiy h ALA 194 CO 0.01 0.20 -1.17 1.49 0.00 0.00 0.00 179.25 179.78 1oiy h GLU 195 N 0.28 0.00 0.00 0.00 4.81 -0.73 -0.78 114.58 118.17 1oiy h GLU 195 Ca 0.07 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1oiy h GLU 195 Cb 0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1oiy h GLU 195 CO -0.01 0.89 -0.24 0.52 -0.73 0.00 0.00 179.01 179.43 1oiy h MET 196 N 0.00 0.00 0.00 1.92 2.86 -0.66 0.55 114.93 119.60 1oiy h MET 196 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1oiy h MET 196 Cb 1.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.49 1oiy h MET 196 CO 0.12 0.24 -0.02 0.28 1.06 0.00 0.00 176.91 178.59 1oiy h VAL 197 N 0.00 0.00 0.00 -2.22 2.07 -1.31 -3.35 116.25 111.45 1oiy h VAL 197 Ca -0.00 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1oiy h VAL 197 Cb 0.44 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1oiy h VAL 197 CO 0.03 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.33 1oiy h THR 198 N -0.79 0.00 -1.43 2.57 1.35 -1.28 -3.47 112.91 109.85 1oiy h THR 198 Ca 0.00 -0.74 -0.41 0.00 -0.55 0.00 0.00 66.41 64.70 1oiy h THR 198 Cb 0.02 1.74 -0.14 0.00 -1.73 0.00 0.00 68.15 68.05 1oiy h THR 198 CO 0.00 0.00 -0.41 0.54 -0.25 0.00 0.00 175.52 175.40 1oiy n ARG 199 N -3.07 -1.50 -4.14 4.72 1.74 0.19 -4.98 116.66 109.63 1oiy n ARG 199 Ca 0.02 1.16 -0.12 0.00 -0.77 0.00 0.00 57.85 58.14 1oiy n ARG 199 Cb 0.41 -5.59 -0.11 0.00 -1.02 0.00 0.00 32.46 26.16 1oiy n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1oiy s ARG 200 N -3.99 0.74 0.23 5.56 1.70 -1.23 -4.99 118.95 116.98 1oiy s ARG 200 Ca 0.00 -1.11 -0.30 0.00 -0.47 0.00 0.00 55.73 53.85 1oiy s ARG 200 Cb 0.00 -0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 33.98 1oiy s ARG 200 CO 0.00 0.03 1.30 0.00 -1.08 0.00 0.00 175.30 175.54 1oiy s ALA 201 N -2.64 3.51 0.20 7.88 0.00 -1.26 -4.31 121.76 125.15 1oiy s ALA 201 Ca 0.03 1.13 0.08 0.00 0.00 0.00 0.00 51.96 53.20 1oiy s ALA 201 Cb -0.01 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 19.74 1oiy s ALA 201 CO -0.02 -0.53 1.46 1.25 0.00 0.00 0.00 175.76 177.92 1oiy h LEU 202 N 4.86 0.03 -6.27 0.00 5.85 -1.91 -3.37 115.31 114.49 1oiy h LEU 202 Ca -0.46 -0.02 -0.58 0.00 0.84 0.00 0.00 57.88 57.66 1oiy h LEU 202 Cb 1.22 -0.01 -0.39 0.00 0.37 0.00 0.00 40.66 41.84 1oiy h LEU 202 CO 0.74 0.81 -0.93 0.49 -0.34 0.00 0.00 178.44 179.20 1oiy n PHE 203 N -3.62 0.38 -2.03 1.25 3.72 -1.26 -4.98 117.46 110.92 1oiy n PHE 203 Ca -0.01 -3.64 -0.41 0.00 -0.05 0.00 0.00 57.45 53.34 1oiy n PHE 203 Cb 0.76 -0.20 -0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1oiy n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1oiy n PRO 204 N 1.89 3.72 -2.66 -1.08 -0.04 -1.26 -4.43 135.00 131.13 1oiy n PRO 204 Ca 0.25 -3.19 -0.32 0.00 -0.04 0.00 0.00 63.50 60.20 1oiy n PRO 204 Cb 0.48 -2.91 -0.04 0.00 -0.04 0.00 0.00 33.50 30.99 1oiy n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1oiy s GLY 205 N 1.31 2.10 0.00 0.55 0.00 -1.26 -5.00 107.32 105.03 1oiy s GLY 205 Ca 0.48 0.09 0.24 0.00 0.00 0.00 0.00 44.72 45.53 1oiy s GLY 205 CO -0.04 0.33 1.34 2.09 0.00 0.00 0.00 173.10 176.82 1oiy n ASP 206 N -1.24 2.83 -3.42 1.64 5.68 -1.26 -4.80 116.55 115.97 1oiy n ASP 206 Ca 0.05 -1.93 -0.11 0.00 -0.50 0.00 0.00 54.79 52.30 1oiy n ASP 206 Cb 0.54 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.47 1oiy n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1oiy s SER 207 N -1.96 0.27 0.06 -1.12 1.04 -1.26 -5.02 113.70 105.71 1oiy s SER 207 Ca 0.30 -1.16 -0.25 0.00 0.48 0.00 0.00 55.95 55.32 1oiy s SER 207 Cb 0.20 0.70 -0.17 0.00 0.10 0.00 0.00 66.02 66.86 1oiy s SER 207 CO 0.31 -1.37 1.59 -0.33 0.98 0.00 0.00 173.24 174.42 1oiy h GLU 208 N 2.11 -0.21 -0.55 4.02 5.08 -1.99 -1.34 114.58 121.69 1oiy h GLU 208 Ca -0.28 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1oiy h GLU 208 Cb 1.25 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1oiy h GLU 208 CO 0.37 -0.05 0.10 0.97 -1.00 0.00 0.00 179.01 179.40 1oiy h ILE 209 N -0.33 1.24 -0.44 3.13 6.09 -1.97 -0.97 117.51 124.27 1oiy h ILE 209 Ca -0.02 -0.90 0.06 0.00 -1.37 0.00 0.00 64.86 62.63 1oiy h ILE 209 Cb 0.26 0.71 -0.05 0.00 0.47 0.00 0.00 36.82 38.20 1oiy h ILE 209 CO 0.04 0.33 0.12 -0.78 -3.07 0.00 0.00 178.15 174.78 1oiy h ASP 210 N 0.83 0.07 -0.31 2.19 3.58 -1.95 0.12 116.42 120.95 1oiy h ASP 210 Ca 0.18 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.71 1oiy h ASP 210 Cb 0.36 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1oiy h ASP 210 CO 0.01 0.07 0.16 -0.61 -2.88 0.00 0.00 179.24 175.99 1oiy h GLN 211 N 0.26 0.33 -0.12 0.28 5.75 -0.55 -1.04 115.11 120.02 1oiy h GLN 211 Ca 0.21 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1oiy h GLN 211 Cb 0.24 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1oiy h GLN 211 CO -0.25 0.22 0.06 -0.07 -2.65 0.00 0.00 178.83 176.14 1oiy h LEU 212 N 0.34 0.16 -1.31 -2.39 3.38 -0.56 -1.31 115.31 113.61 1oiy h LEU 212 Ca 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1oiy h LEU 212 Cb 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1oiy h LEU 212 CO -0.08 0.24 0.14 -0.26 0.09 0.00 0.00 178.44 178.57 1oiy h PHE 213 N 0.07 0.61 -0.37 1.13 -1.00 -0.61 0.28 116.94 117.05 1oiy h PHE 213 Ca 0.04 -0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.66 1oiy h PHE 213 Cb 0.12 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 1oiy h PHE 213 CO -0.03 0.50 -0.28 0.00 -1.61 0.00 0.00 178.31 176.89 1oiy h ARG 214 N 0.61 0.85 0.12 1.51 3.08 -0.82 0.58 114.38 120.32 1oiy h ARG 214 Ca 0.15 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1oiy h ARG 214 Cb 0.17 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1oiy h ARG 214 CO -0.01 1.06 -0.06 0.82 -1.07 0.00 0.00 179.97 180.71 1oiy h ILE 215 N 0.65 0.98 -1.00 2.04 2.04 -0.73 -2.88 117.51 118.61 1oiy h ILE 215 Ca 0.07 -0.42 0.08 0.00 1.00 0.00 0.00 64.86 65.59 1oiy h ILE 215 Cb 0.86 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 38.12 1oiy h ILE 215 CO 0.07 0.10 0.65 -0.26 0.00 0.00 0.00 178.15 178.71 1oiy h PHE 216 N -0.36 1.19 0.00 1.37 0.04 -0.35 0.05 116.94 118.88 1oiy h PHE 216 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1oiy h PHE 216 Cb 0.29 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1oiy h PHE 216 CO -0.01 0.59 0.00 0.00 -0.60 0.00 0.00 178.31 178.29 1oiy h ARG 217 N 1.14 0.00 0.01 1.51 3.08 -0.70 0.19 114.38 119.61 1oiy h ARG 217 Ca 0.45 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 60.12 1oiy h ARG 217 Cb 0.24 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1oiy h ARG 217 CO -0.19 0.00 -2.38 2.41 -1.07 0.00 0.00 179.97 178.74 1oiy n THR 218 N -3.03 1.50 0.22 2.04 -1.04 -0.28 -4.55 114.28 109.14 1oiy n THR 218 Ca -0.01 -0.66 0.02 0.00 -2.04 0.00 0.00 64.05 61.36 1oiy n THR 218 Cb 0.18 -1.20 -0.02 0.00 -1.82 0.00 0.00 70.33 67.48 1oiy n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1oiy n LEU 219 N -3.15 0.45 0.00 -4.42 4.77 -0.15 -2.97 117.00 111.54 1oiy n LEU 219 Ca -0.40 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1oiy n LEU 219 Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1oiy n LEU 219 CO 0.33 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1oiy n GLY 220 N 0.96 2.53 3.67 -0.72 0.00 0.64 -4.40 105.19 107.86 1oiy n GLY 220 Ca 0.01 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1oiy n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oiy s THR 221 N -2.04 3.85 0.31 2.61 2.01 -0.02 -4.47 115.64 117.89 1oiy s THR 221 Ca 0.00 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.82 1oiy s THR 221 Cb 0.00 -3.71 -0.10 0.00 0.01 0.00 0.00 72.50 68.69 1oiy s THR 221 CO 0.00 -0.07 1.37 -2.16 -0.69 0.00 0.00 174.62 173.08 1oiy s PRO 222 N 3.31 4.30 0.35 4.92 0.04 -1.26 -4.82 135.00 141.84 1oiy s PRO 222 Ca 0.64 2.29 0.02 0.00 0.04 0.00 0.00 61.00 63.99 1oiy s PRO 222 Cb -0.29 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.20 1oiy s PRO 222 CO 0.24 -0.31 0.13 -0.40 0.04 0.00 0.00 177.00 176.71 1oiy n ASP 223 N 1.25 2.56 0.28 6.66 5.68 -1.26 -4.97 116.55 126.75 1oiy n ASP 223 Ca 0.02 -2.38 0.13 0.00 -0.50 0.00 0.00 54.79 52.06 1oiy n ASP 223 Cb 0.41 0.11 0.82 0.00 -1.14 0.00 0.00 41.12 41.32 1oiy n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1oiy h GLU 224 N 0.00 0.00 0.21 0.11 4.39 -1.97 0.32 114.58 117.64 1oiy h GLU 224 Ca -0.26 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1oiy h GLU 224 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1oiy h GLU 224 CO 0.42 0.03 -0.10 0.28 -1.16 0.00 0.00 179.01 178.48 1oiy h VAL 225 N 0.00 0.84 0.00 3.13 2.07 -1.99 -2.87 116.25 117.43 1oiy h VAL 225 Ca -0.00 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.52 1oiy h VAL 225 Cb 0.07 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1oiy h VAL 225 CO 0.00 0.18 -0.49 1.62 0.02 0.00 0.00 177.57 178.90 1oiy h VAL 226 N -0.77 1.30 -2.08 2.57 3.04 -1.86 -3.40 116.25 115.04 1oiy h VAL 226 Ca -0.03 -1.72 -0.39 0.00 -1.01 0.00 0.00 66.70 63.55 1oiy h VAL 226 Cb 0.51 1.94 -0.33 0.00 -2.01 0.00 0.00 31.29 31.40 1oiy h VAL 226 CO 0.05 0.48 -0.70 0.86 -1.01 0.00 0.00 177.57 177.25 1oiy s TRP 227 N -3.83 -0.20 0.34 3.17 -0.11 0.07 -4.57 118.94 113.81 1oiy s TRP 227 Ca -0.02 -0.78 -0.29 0.00 1.22 0.00 0.00 56.10 56.24 1oiy s TRP 227 Cb 0.13 -0.49 -0.12 0.00 -1.50 0.00 0.00 33.47 31.50 1oiy s TRP 227 CO 0.74 -0.94 1.48 -2.30 -4.62 0.00 0.00 176.95 171.31 1oiy n PRO 228 N 4.48 2.56 0.00 5.86 -0.02 -1.09 -2.44 135.00 144.35 1oiy n PRO 228 Ca 0.08 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1oiy n PRO 228 Cb 0.44 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1oiy n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oiy n GLY 229 N 1.07 1.58 0.29 -1.23 0.00 -1.26 -4.98 105.19 100.66 1oiy n GLY 229 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1oiy n GLY 229 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1oiy h VAL 230 N 0.00 1.21 -0.00 1.61 2.07 -1.81 -3.02 116.25 116.31 1oiy h VAL 230 Ca 0.00 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1oiy h VAL 230 Cb 0.00 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1oiy h VAL 230 CO 0.00 0.29 -0.07 0.35 0.02 0.00 0.00 177.57 178.16 1oiy n THR 231 N -4.28 0.00 0.44 2.57 -2.24 -1.26 -2.11 114.28 107.40 1oiy n THR 231 Ca 0.03 -0.07 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 1oiy n THR 231 Cb 0.23 -0.12 0.10 0.00 -2.10 0.00 0.00 70.33 68.43 1oiy n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1oiy n SER 232 N -0.86 2.49 -4.76 3.42 7.64 -1.14 -4.92 113.62 115.49 1oiy n SER 232 Ca 0.17 -1.72 -0.40 0.00 1.01 0.00 0.00 58.87 57.93 1oiy n SER 232 Cb 0.26 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 1oiy n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1oiy s MET 233 N -1.21 4.46 0.32 1.43 -1.94 -0.90 -4.91 119.30 116.54 1oiy s MET 233 Ca 0.21 1.94 0.09 0.00 -1.71 0.00 0.00 55.69 56.22 1oiy s MET 233 Cb 0.14 -3.07 0.89 0.00 2.01 0.00 0.00 34.83 34.79 1oiy s MET 233 CO 0.20 0.00 1.73 -1.35 -0.01 0.00 0.00 175.02 175.58 1oiy h PRO 234 N 3.48 0.56 -0.44 2.03 0.11 -1.80 -0.01 132.00 135.92 1oiy h PRO 234 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1oiy h PRO 234 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1oiy h PRO 234 CO 0.66 0.37 0.00 -0.25 -0.21 0.00 0.00 178.00 178.56 1oiy n ASP 235 N -4.89 3.99 -4.79 -2.05 8.00 -0.74 -4.93 116.55 111.14 1oiy n ASP 235 Ca 0.27 -2.50 -0.37 0.00 0.71 0.00 0.00 54.79 52.90 1oiy n ASP 235 Cb 0.75 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 1oiy n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1oiy s TYR 236 N -1.91 3.70 -0.05 1.24 6.14 -0.02 -4.87 117.35 121.58 1oiy s TYR 236 Ca 0.40 1.71 0.03 0.00 0.64 0.00 0.00 57.07 59.85 1oiy s TYR 236 Cb 0.27 -2.86 0.00 0.00 0.42 0.00 0.00 41.96 39.80 1oiy s TYR 236 CO 0.17 0.26 -0.15 0.15 0.64 0.00 0.00 175.55 176.61 1oiy s LYS 237 N -1.97 1.79 0.48 4.97 -0.14 -1.26 -4.89 119.74 118.71 1oiy s LYS 237 Ca 0.48 -0.54 0.32 0.00 -1.36 0.00 0.00 55.97 54.87 1oiy s LYS 237 Cb -0.19 -1.51 1.71 0.00 -1.68 0.00 0.00 37.83 36.17 1oiy s LYS 237 CO 0.24 0.15 1.98 -1.35 -0.76 0.00 0.00 175.35 175.61 1oiy h PRO 238 N 6.56 0.00 -0.00 -1.68 0.10 -1.98 -1.78 132.00 133.22 1oiy h PRO 238 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.79 1oiy h PRO 238 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.28 1oiy h PRO 238 CO 0.48 0.00 -0.26 -1.13 0.10 0.00 0.00 178.00 177.19 1oiy n SER 239 N -2.64 0.60 -4.60 -2.05 3.41 -1.26 -4.87 113.62 102.21 1oiy n SER 239 Ca -0.02 -0.46 -0.54 0.00 -0.26 0.00 0.00 58.87 57.59 1oiy n SER 239 Cb 0.07 0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 1oiy n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1oiy n PHE 240 N -1.08 1.48 -1.59 7.33 3.72 -0.67 -4.86 117.46 121.79 1oiy n PHE 240 Ca 0.10 0.70 -0.39 0.00 -0.05 0.00 0.00 57.45 57.81 1oiy n PHE 240 Cb 0.32 -2.31 0.03 0.00 -0.94 0.00 0.00 39.48 36.58 1oiy n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1oiy n PRO 241 N 2.89 1.00 -3.45 -1.08 -0.02 -1.26 -4.92 135.00 128.15 1oiy n PRO 241 Ca 0.20 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1oiy n PRO 241 Cb 0.16 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 1oiy n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1oiy s LYS 242 N -2.35 3.04 0.15 -0.52 1.02 -1.26 -4.81 119.74 115.01 1oiy s LYS 242 Ca 0.70 -2.19 -0.18 0.00 0.02 0.00 0.00 55.97 54.31 1oiy s LYS 242 Cb -0.47 -4.16 -0.07 0.00 -0.52 0.00 0.00 37.83 32.61 1oiy s LYS 242 CO 0.52 -1.25 0.62 -1.58 -0.92 0.00 0.00 175.35 172.74 1oiy s TRP 243 N 0.63 3.70 0.57 3.18 0.51 -1.26 -4.88 118.94 121.39 1oiy s TRP 243 Ca 0.12 1.26 -0.19 0.00 -2.12 0.00 0.00 56.10 55.17 1oiy s TRP 243 Cb -0.19 -2.50 -0.04 0.00 -0.81 0.00 0.00 33.47 29.92 1oiy s TRP 243 CO -0.04 0.46 1.18 0.00 -0.51 0.00 0.00 176.95 178.04 1oiy s ALA 244 N -1.35 2.60 0.31 0.98 0.00 -1.26 -0.84 121.76 122.20 1oiy s ALA 244 Ca 0.36 0.94 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 1oiy s ALA 244 Cb -0.17 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 1oiy s ALA 244 CO 0.20 -1.01 1.11 0.50 0.00 0.00 0.00 175.76 176.55 1oiy s ARG 245 N -3.31 4.49 0.38 0.00 3.52 -1.26 -3.98 118.95 118.79 1oiy s ARG 245 Ca 0.76 1.78 -0.14 0.00 -0.13 0.00 0.00 55.73 57.99 1oiy s ARG 245 Cb -0.28 -3.03 -0.08 0.00 -1.56 0.00 0.00 34.95 30.00 1oiy s ARG 245 CO 0.31 0.09 0.80 -0.65 -0.81 0.00 0.00 175.30 175.03 1oiy s GLN 246 N -1.72 3.94 -0.01 5.12 -0.21 -1.16 -4.87 119.66 120.76 1oiy s GLN 246 Ca 0.48 0.68 -0.30 0.00 0.02 0.00 0.00 55.36 56.24 1oiy s GLN 246 Cb -0.31 -2.36 -0.07 0.00 1.00 0.00 0.00 33.01 31.28 1oiy s GLN 246 CO 0.39 0.02 1.78 0.34 -2.12 0.00 0.00 175.29 175.70 1oiy s ASP 247 N -2.66 6.58 0.54 5.90 3.68 -1.26 -4.89 116.67 124.55 1oiy s ASP 247 Ca 0.54 2.43 0.30 0.00 2.13 0.00 0.00 52.55 57.95 1oiy s ASP 247 Cb -0.10 -2.53 1.46 0.00 -1.45 0.00 0.00 42.92 40.30 1oiy s ASP 247 CO 0.23 -0.98 1.91 -0.26 0.13 0.00 0.00 175.17 176.21 1oiy h PHE 248 N 9.89 0.00 -0.15 -5.34 -1.00 -1.95 0.16 116.94 118.56 1oiy h PHE 248 Ca -0.44 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.36 1oiy h PHE 248 Cb 1.20 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 1oiy h PHE 248 CO 0.91 0.00 0.10 0.66 -1.61 0.00 0.00 178.31 178.37 1oiy h SER 249 N 0.00 0.12 1.29 2.17 4.64 -1.90 -0.43 113.55 119.44 1oiy h SER 249 Ca 0.37 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.63 1oiy h SER 249 Cb 1.52 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.57 1oiy h SER 249 CO -0.00 0.09 -0.25 0.11 -0.87 0.00 0.00 176.83 175.90 1oiy h LYS 250 N 0.14 0.00 -0.14 4.77 1.79 -1.04 -2.51 116.57 119.58 1oiy h LYS 250 Ca 0.06 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.37 1oiy h LYS 250 Cb 0.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1oiy h LYS 250 CO -0.01 0.25 -0.62 0.28 -1.08 0.00 0.00 179.45 178.27 1oiy h VAL 251 N 0.00 1.34 -2.09 0.50 2.07 -1.10 -3.35 116.25 113.62 1oiy h VAL 251 Ca -0.00 -1.92 -0.53 0.00 0.82 0.00 0.00 66.70 65.06 1oiy h VAL 251 Cb 0.96 1.90 -0.36 0.00 -1.52 0.00 0.00 31.29 32.28 1oiy h VAL 251 CO 0.03 0.59 -0.95 0.52 0.02 0.00 0.00 177.57 177.78 1oiy n VAL 252 N -3.91 -0.97 -0.35 2.57 0.31 -1.19 -5.03 118.33 109.77 1oiy n VAL 252 Ca -0.04 -3.27 0.24 0.00 -0.01 0.00 0.00 64.34 61.27 1oiy n VAL 252 Cb 0.64 -1.39 0.49 0.00 -0.91 0.00 0.00 33.84 32.67 1oiy n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1oiy h PRO 253 N 5.18 0.33 0.00 5.55 0.11 -1.59 0.29 132.00 141.86 1oiy h PRO 253 Ca 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1oiy h PRO 253 Cb 0.93 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1oiy h PRO 253 CO 0.36 0.22 0.00 -2.30 -0.21 0.00 0.00 178.00 176.06 1oiy n PRO 254 N -4.96 0.01 -3.05 1.05 -0.02 -1.26 -4.77 135.00 122.00 1oiy n PRO 254 Ca 0.31 0.30 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 1oiy n PRO 254 Cb 0.99 -1.52 -0.06 0.00 -0.02 0.00 0.00 33.50 32.90 1oiy n PRO 254 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1oiy s LEU 255 N -3.07 4.56 0.00 2.45 2.96 0.09 -5.05 118.68 120.62 1oiy s LEU 255 Ca 0.06 1.52 -0.03 0.00 -0.22 0.00 0.00 54.13 55.46 1oiy s LEU 255 Cb 0.08 -3.19 0.12 0.00 0.50 0.00 0.00 46.19 43.70 1oiy s LEU 255 CO 0.23 0.20 0.76 0.47 -1.32 0.00 0.00 176.35 176.68 1oiy n ASP 256 N 1.81 0.71 -0.18 3.68 8.00 -1.26 -4.79 116.55 124.52 1oiy n ASP 256 Ca -0.06 -1.67 -0.01 0.00 0.71 0.00 0.00 54.79 53.76 1oiy n ASP 256 Cb 0.49 -0.52 0.08 0.00 -0.02 0.00 0.00 41.12 41.15 1oiy n ASP 256 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1oiy h GLU 257 N 0.00 0.13 -0.30 -1.24 4.81 -1.99 -1.32 114.58 114.66 1oiy h GLU 257 Ca -0.25 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 1oiy h GLU 257 Cb 0.85 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1oiy h GLU 257 CO 0.24 0.09 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.08 1oiy h ASP 258 N 0.14 0.60 -0.35 1.04 3.32 -1.96 -1.81 116.42 117.41 1oiy h ASP 258 Ca 0.28 -0.37 0.07 0.00 0.02 0.00 0.00 57.03 57.03 1oiy h ASP 258 Cb 0.44 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 1oiy h ASP 258 CO -0.45 0.84 -0.12 1.23 -1.72 0.00 0.00 179.24 179.01 1oiy h GLY 259 N 0.36 0.18 1.54 2.75 0.00 -1.84 0.12 103.07 106.19 1oiy h GLY 259 Ca 0.08 0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 1oiy h GLY 259 CO 0.03 -0.16 -0.31 3.21 0.00 0.00 0.00 176.54 179.32 1oiy h ARG 260 N -0.05 0.52 -0.13 4.80 3.08 -0.98 -0.56 114.38 121.05 1oiy h ARG 260 Ca 0.17 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1oiy h ARG 260 Cb 0.31 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1oiy h ARG 260 CO -0.39 0.77 0.06 1.03 -1.07 0.00 0.00 179.97 180.38 1oiy h SER 261 N 0.45 0.17 -0.17 7.04 0.87 -0.57 0.47 113.55 121.80 1oiy h SER 261 Ca 0.06 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 1oiy h SER 261 Cb 0.76 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1oiy h SER 261 CO 0.06 0.25 -0.04 0.25 -0.53 0.00 0.00 176.83 176.82 1oiy h LEU 262 N 0.08 0.33 -0.60 2.23 5.85 -0.01 -2.33 115.31 120.86 1oiy h LEU 262 Ca 0.04 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1oiy h LEU 262 Cb 0.12 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1oiy h LEU 262 CO -0.01 0.62 0.37 0.25 -0.34 0.00 0.00 178.44 179.34 1oiy h LEU 263 N 0.04 0.72 -1.42 2.25 5.85 -1.04 -0.31 115.31 121.41 1oiy h LEU 263 Ca 0.04 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1oiy h LEU 263 Cb 0.47 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1oiy h LEU 263 CO 0.02 0.56 0.40 0.77 -0.34 0.00 0.00 178.44 179.85 1oiy h SER 264 N 0.82 0.67 0.42 1.25 4.64 -0.73 -0.51 113.55 120.11 1oiy h SER 264 Ca 0.22 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.36 1oiy h SER 264 Cb -0.03 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1oiy h SER 264 CO -0.04 0.49 -0.68 1.56 -0.87 0.00 0.00 176.83 177.29 1oiy h GLN 265 N 0.80 0.23 0.00 4.77 4.20 -0.68 -0.96 115.11 123.47 1oiy h GLN 265 Ca 0.22 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1oiy h GLN 265 Cb -0.07 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1oiy h GLN 265 CO -0.05 0.82 -0.13 0.52 -0.67 0.00 0.00 178.83 179.32 1oiy h MET 266 N 0.16 0.00 -0.16 1.46 2.86 -0.51 -2.63 114.93 116.12 1oiy h MET 266 Ca -0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1oiy h MET 266 Cb 1.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1oiy h MET 266 CO 0.10 0.13 -0.05 1.28 1.06 0.00 0.00 176.91 179.43 1oiy n LEU 267 N -3.42 3.28 -4.69 1.22 4.77 -0.25 -3.78 117.00 114.13 1oiy n LEU 267 Ca -0.01 -3.22 -0.43 0.00 -0.03 0.00 0.00 56.01 52.32 1oiy n LEU 267 Cb 0.30 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1oiy n LEU 267 CO 0.30 0.82 0.98 1.57 -1.33 0.00 0.00 177.39 179.73 1oiy n HIS 268 N -0.98 2.29 -0.07 -1.77 -0.00 -0.39 -4.92 115.22 109.37 1oiy n HIS 268 Ca 0.21 0.48 -0.13 0.00 0.46 0.00 0.00 57.72 58.74 1oiy n HIS 268 Cb 0.81 -2.45 -0.06 0.00 -0.12 0.00 0.00 29.99 28.17 1oiy n HIS 268 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 1oiy h TYR 269 N 3.39 0.50 -3.32 1.57 0.05 -1.90 -3.42 116.97 113.86 1oiy h TYR 269 Ca -0.46 -0.13 -0.56 0.00 0.05 0.00 0.00 58.73 57.63 1oiy h TYR 269 Cb 1.27 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 38.84 1oiy h TYR 269 CO 0.54 0.74 1.03 0.34 -1.05 0.00 0.00 178.16 179.76 1oiy s ASP 270 N -6.13 6.39 0.32 3.88 -1.08 -1.26 -4.85 116.67 113.93 1oiy s ASP 270 Ca -0.14 0.56 0.10 0.00 -0.52 0.00 0.00 52.55 52.55 1oiy s ASP 270 Cb 0.06 -2.55 0.89 0.00 -1.46 0.00 0.00 42.92 39.87 1oiy s ASP 270 CO 0.76 -1.44 1.73 -0.65 0.52 0.00 0.00 175.17 176.09 1oiy h PRO 271 N 10.27 0.55 0.00 4.34 0.11 -1.95 0.38 132.00 145.71 1oiy h PRO 271 Ca -0.26 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1oiy h PRO 271 Cb 1.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1oiy h PRO 271 CO 1.12 0.37 -0.17 -0.91 -0.21 0.00 0.00 178.00 178.20 1oiy h ASN 272 N 0.57 0.00 0.29 -2.05 2.35 -1.96 -3.06 115.58 111.72 1oiy h ASN 272 Ca 0.65 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.29 1oiy h ASN 272 Cb 1.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 1oiy h ASN 272 CO -0.48 0.17 -1.81 0.29 -1.65 0.00 0.00 177.43 173.94 1oiy n LYS 273 N -4.07 0.65 -1.62 0.81 5.02 0.12 -4.90 118.16 114.17 1oiy n LYS 273 Ca -0.02 -0.03 -0.53 0.00 -2.02 0.00 0.00 58.31 55.71 1oiy n LYS 273 Cb 0.25 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1oiy n LYS 273 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1oiy n ARG 274 N -2.55 1.17 -1.69 1.97 0.63 -0.30 -4.88 116.66 111.00 1oiy n ARG 274 Ca -0.10 0.42 -0.40 0.00 -0.92 0.00 0.00 57.85 56.85 1oiy n ARG 274 Cb 0.74 -2.08 0.03 0.00 0.45 0.00 0.00 32.46 31.60 1oiy n ARG 274 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1oiy n ILE 275 N 3.01 3.17 -2.62 5.15 3.06 -1.00 -5.00 119.36 125.14 1oiy n ILE 275 Ca 0.20 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.64 1oiy n ILE 275 Cb 0.18 -1.48 -0.03 0.00 0.54 0.00 0.00 39.64 38.85 1oiy n ILE 275 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1oiy s SER 276 N -0.81 6.55 0.24 9.51 1.04 -1.26 -4.89 113.70 124.08 1oiy s SER 276 Ca 0.67 1.33 -0.05 0.00 0.48 0.00 0.00 55.95 58.38 1oiy s SER 276 Cb -0.47 -2.41 0.41 0.00 0.10 0.00 0.00 66.02 63.65 1oiy s SER 276 CO 0.53 -0.50 1.75 0.00 0.98 0.00 0.00 173.24 176.01 1oiy h ALA 277 N 1.04 1.04 0.21 5.32 0.00 -1.93 -2.07 119.26 122.87 1oiy h ALA 277 Ca -0.47 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1oiy h ALA 277 Cb 1.19 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1oiy h ALA 277 CO 0.63 -0.13 -0.46 -0.22 0.00 0.00 0.00 179.25 179.07 1oiy h LYS 278 N 0.53 -0.73 -0.06 0.00 3.64 -1.91 -2.28 116.57 115.76 1oiy h LYS 278 Ca 0.39 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1oiy h LYS 278 Cb 0.51 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1oiy h LYS 278 CO -0.34 -0.48 0.04 0.00 -2.27 0.00 0.00 179.45 176.40 1oiy h ALA 279 N -0.40 1.94 0.00 5.00 0.00 -1.93 -2.50 119.26 121.38 1oiy h ALA 279 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1oiy h ALA 279 Cb 0.74 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1oiy h ALA 279 CO -0.21 0.05 -0.38 0.00 0.00 0.00 0.00 179.25 178.71 1oiy h ALA 280 N 1.95 1.19 -0.24 0.00 0.00 -0.79 -2.70 119.26 118.68 1oiy h ALA 280 Ca 0.02 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1oiy h ALA 280 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1oiy h ALA 280 CO -0.00 0.48 0.26 -0.07 0.00 0.00 0.00 179.25 179.91 1oiy h LEU 281 N 0.00 0.00 -2.86 0.00 3.38 -1.25 -0.67 115.31 113.90 1oiy h LEU 281 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oiy h LEU 281 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1oiy h LEU 281 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1oiy n ALA 282 N -2.35 2.46 -1.98 1.53 0.00 -1.02 -4.87 120.51 114.28 1oiy n ALA 282 Ca 0.03 -1.34 -0.41 0.00 0.00 0.00 0.00 53.44 51.71 1oiy n ALA 282 Cb 0.39 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1oiy n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1oiy s HIS 283 N -1.19 3.31 0.57 0.00 5.04 -0.26 -4.91 115.29 117.84 1oiy s HIS 283 Ca 0.43 1.33 0.35 0.00 -1.54 0.00 0.00 55.06 55.63 1oiy s HIS 283 Cb 0.24 -3.54 1.44 0.00 0.04 0.00 0.00 32.58 30.76 1oiy s HIS 283 CO 0.27 -1.60 1.70 -1.00 -2.34 0.00 0.00 174.74 171.76 1oiy h PRO 284 N 5.07 0.00 -1.27 2.88 0.13 -1.92 0.17 132.00 137.06 1oiy h PRO 284 Ca -0.45 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.04 1oiy h PRO 284 Cb 1.22 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1oiy h PRO 284 CO 0.75 0.00 0.89 0.35 -0.23 0.00 0.00 178.00 179.75 1oiy h PHE 285 N 0.00 0.17 -0.36 1.56 3.57 -1.91 -1.99 116.94 117.98 1oiy h PHE 285 Ca 0.52 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.03 1oiy h PHE 285 Cb 2.36 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 41.06 1oiy h PHE 285 CO 0.00 -0.01 0.00 1.19 -2.23 0.00 0.00 178.31 177.26 1oiy n PHE 286 N -4.28 0.46 -0.00 0.41 3.72 0.58 -4.50 117.46 113.85 1oiy n PHE 286 Ca 0.29 -0.23 0.18 0.00 -0.05 0.00 0.00 57.45 57.64 1oiy n PHE 286 Cb 1.29 0.00 0.65 0.00 -0.94 0.00 0.00 39.48 40.48 1oiy n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1oiy h GLN 287 N 4.39 0.08 -0.31 -1.08 3.07 -1.50 -1.18 115.11 118.58 1oiy h GLN 287 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1oiy h GLN 287 Cb 0.96 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.51 1oiy h GLN 287 CO 0.00 0.05 0.00 -0.40 0.09 0.00 0.00 178.83 178.57 1oiy n ASP 288 N -4.41 3.62 -4.73 0.06 5.68 -1.26 -5.02 116.55 110.49 1oiy n ASP 288 Ca 0.09 -2.65 -0.42 0.00 -0.50 0.00 0.00 54.79 51.32 1oiy n ASP 288 Cb 0.53 -0.44 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 1oiy n ASP 288 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1oiy s VAL 289 N -2.16 2.27 0.00 2.12 0.11 -0.45 -5.00 120.40 117.29 1oiy s VAL 289 Ca 0.36 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 1oiy s VAL 289 Cb 0.27 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.99 1oiy s VAL 289 CO 0.12 0.02 0.00 0.35 -3.33 0.00 0.00 175.10 172.26 1oiy n THR 290 N 3.45 0.00 -3.29 5.04 -2.24 -1.26 -5.10 114.28 110.88 1oiy n THR 290 Ca 0.13 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.66 1oiy n THR 290 Cb 0.37 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 1oiy n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1oiy n LYS 291 N 0.00 0.67 -1.89 -0.78 4.81 -1.26 -4.57 118.16 115.14 1oiy n LYS 291 Ca 0.00 -3.33 -0.38 0.00 -0.87 0.00 0.00 58.31 53.74 1oiy n LYS 291 Cb 0.00 -1.46 0.04 0.00 0.02 0.00 0.00 35.03 33.63 1oiy n LYS 291 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1oiy s PRO 292 N -0.85 3.13 0.18 1.64 0.04 -1.26 -4.91 135.00 132.98 1oiy s PRO 292 Ca 0.34 2.07 -0.27 0.00 0.04 0.00 0.00 61.00 63.19 1oiy s PRO 292 Cb 0.12 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1oiy s PRO 292 CO -0.14 -1.14 0.82 0.08 0.04 0.00 0.00 177.00 176.66 1oiy s VAL 293 N -1.40 4.29 0.29 -0.36 1.01 -1.26 -4.48 120.40 118.49 1oiy s VAL 293 Ca 0.73 1.81 -0.17 0.00 0.00 0.00 0.00 61.98 64.35 1oiy s VAL 293 Cb -0.36 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 1oiy s VAL 293 CO 0.42 0.51 0.74 -2.16 0.00 0.00 0.00 175.10 174.61 1oiy s PRO 294 N -1.13 4.10 -0.60 2.72 0.04 -1.26 -4.97 135.00 133.90 1oiy s PRO 294 Ca 0.37 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.91 1oiy s PRO 294 Cb -0.24 -2.58 -0.09 0.00 0.04 0.00 0.00 34.50 31.64 1oiy s PRO 294 CO 0.28 0.23 2.36 -1.58 0.04 0.00 0.00 177.00 178.33 1oiy s HIS 295 N -1.83 1.15 -2.08 0.56 5.65 -1.26 -4.99 115.29 112.50 1oiy s HIS 295 Ca 0.51 1.62 0.17 0.00 0.25 0.00 0.00 55.06 57.60 1oiy s HIS 295 Cb -0.12 -3.58 0.13 0.00 -1.18 0.00 0.00 32.58 27.82 1oiy s HIS 295 CO 0.19 -2.21 1.03 -0.11 -0.65 0.00 0.00 174.74 172.99