#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpa h MET 1 N 0.00 0.00 -0.27 -1.24 2.86 -2.02 -2.79 114.93 111.47 2wpa h MET 1 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2wpa h MET 1 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2wpa h MET 1 CO 0.00 0.21 0.19 1.49 1.06 0.00 0.00 176.91 179.85 2wpa h GLU 2 N 0.00 0.19 -0.23 1.72 4.57 -2.06 -1.59 114.58 117.17 2wpa h GLU 2 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2wpa h GLU 2 Cb 0.48 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2wpa h GLU 2 CO 0.03 0.12 0.00 0.09 -1.18 0.00 0.00 179.01 178.07 2wpa n ASN 3 N -4.49 1.28 -4.68 1.04 3.02 -1.05 -4.79 115.26 105.59 2wpa n ASN 3 Ca 0.02 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.25 2wpa n ASN 3 Cb 0.21 -0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.13 2wpa n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wpa s PHE 4 N -1.69 3.18 -0.22 3.10 0.08 -0.60 0.13 117.98 121.97 2wpa s PHE 4 Ca 0.17 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.36 2wpa s PHE 4 Cb 0.09 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 2wpa s PHE 4 CO 0.12 0.44 -0.03 -1.14 -0.10 0.00 0.00 175.22 174.51 2wpa s GLN 5 N -0.76 3.44 0.01 0.44 2.00 0.30 -4.89 119.66 120.19 2wpa s GLN 5 Ca 0.12 -0.60 -0.30 0.00 -2.00 0.00 0.00 55.36 52.58 2wpa s GLN 5 Cb -0.12 -3.03 -0.04 0.00 0.80 0.00 0.00 33.01 30.62 2wpa s GLN 5 CO 0.02 -0.15 1.14 0.15 -0.50 0.00 0.00 175.29 175.95 2wpa s LYS 6 N 1.37 4.44 -0.20 1.67 1.02 -1.26 -1.13 119.74 125.66 2wpa s LYS 6 Ca 0.04 1.64 -0.02 0.00 0.02 0.00 0.00 55.97 57.65 2wpa s LYS 6 Cb -0.14 -3.44 -0.11 0.00 -0.52 0.00 0.00 37.83 33.62 2wpa s LYS 6 CO -0.02 -0.26 -0.20 0.28 -0.92 0.00 0.00 175.35 174.24 2wpa n VAL 7 N 4.13 1.10 -3.64 3.17 0.31 0.26 -4.97 118.33 118.69 2wpa n VAL 7 Ca 0.09 -0.38 -0.08 0.00 -0.01 0.00 0.00 64.34 63.96 2wpa n VAL 7 Cb 0.48 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 31.97 2wpa n VAL 7 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2wpa s GLU 8 N -2.38 0.57 -0.11 5.55 2.12 -1.12 -5.00 118.70 118.34 2wpa s GLU 8 Ca -0.27 0.83 -0.30 0.00 0.36 0.00 0.00 54.97 55.60 2wpa s GLU 8 Cb 0.08 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.65 2wpa s GLU 8 CO 0.41 -0.09 1.11 0.21 -0.54 0.00 0.00 175.26 176.36 2wpa s LYS 9 N 0.89 4.36 0.00 4.30 2.20 -1.26 0.12 119.74 130.35 2wpa s LYS 9 Ca -0.04 1.52 0.04 0.00 -0.36 0.00 0.00 55.97 57.13 2wpa s LYS 9 Cb -0.05 -3.58 0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2wpa s LYS 9 CO -0.11 -0.44 0.66 0.44 -0.36 0.00 0.00 175.35 175.54 2wpa n ILE 10 N 4.74 0.06 -3.64 5.43 -5.35 -0.27 -4.92 119.36 115.41 2wpa n ILE 10 Ca 0.10 -0.53 -0.03 0.00 -0.27 0.00 0.00 62.75 62.02 2wpa n ILE 10 Cb 0.47 1.05 -0.05 0.00 -1.74 0.00 0.00 39.64 39.37 2wpa n ILE 10 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2wpa s GLY 11 N -0.37 0.10 0.03 3.28 0.00 -1.14 -4.97 107.32 104.24 2wpa s GLY 11 Ca 0.05 2.87 -0.17 0.00 0.00 0.00 0.00 44.72 47.47 2wpa s GLY 11 CO 0.05 1.25 0.37 1.85 0.00 0.00 0.00 173.10 176.62 2wpa s GLU 12 N -0.84 0.85 0.05 2.90 2.12 -1.26 -1.28 118.70 121.25 2wpa s GLU 12 Ca 0.08 -0.37 -0.10 0.00 0.36 0.00 0.00 54.97 54.94 2wpa s GLU 12 Cb -0.02 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.79 2wpa s GLU 12 CO -0.08 -0.28 0.45 0.41 -0.54 0.00 0.00 175.26 175.22 2wpa n GLY 13 N 0.65 0.87 0.25 -1.50 0.00 -0.35 -4.99 105.19 100.13 2wpa n GLY 13 Ca -0.19 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 44.97 2wpa n GLY 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wpa h THR 14 N 1.41 0.46 0.00 2.61 1.35 -2.03 -2.56 112.91 114.15 2wpa h THR 14 Ca -0.11 -0.71 -0.05 0.00 -0.55 0.00 0.00 66.41 64.99 2wpa h THR 14 Cb 0.49 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 2wpa h THR 14 CO 0.15 0.13 -0.26 0.10 -0.25 0.00 0.00 175.52 175.39 2wpa h TYR 15 N 0.00 0.00 0.00 4.73 -0.00 -1.98 -3.50 116.97 116.22 2wpa h TYR 15 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2wpa h TYR 15 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.21 2wpa h TYR 15 CO 0.00 0.26 0.00 0.41 -0.00 0.00 0.00 178.16 178.83 2wpa n GLY 16 N 0.20 0.63 3.11 0.10 0.00 -0.96 -4.61 105.19 103.66 2wpa n GLY 16 Ca 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 2wpa n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wpa s VAL 17 N -4.00 0.76 -0.23 1.61 1.01 -0.94 -1.21 120.40 117.41 2wpa s VAL 17 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.78 2wpa s VAL 17 Cb 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.58 2wpa s VAL 17 CO 0.00 -0.35 -0.13 -0.69 0.00 0.00 0.00 175.10 173.92 2wpa s VAL 18 N -1.47 2.31 -0.05 2.92 1.01 -0.40 0.78 120.40 125.49 2wpa s VAL 18 Ca -0.06 -1.22 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 2wpa s VAL 18 Cb -0.09 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2wpa s VAL 18 CO 0.01 0.24 0.18 -0.31 0.00 0.00 0.00 175.10 175.22 2wpa s TYR 19 N 1.23 3.58 0.04 5.22 1.51 0.12 -1.11 117.35 127.95 2wpa s TYR 19 Ca -0.01 0.48 -0.28 0.00 -1.01 0.00 0.00 57.07 56.24 2wpa s TYR 19 Cb -0.17 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.73 2wpa s TYR 19 CO -0.08 0.68 0.90 0.21 -1.11 0.00 0.00 175.55 176.16 2wpa s LYS 20 N -1.50 4.59 0.20 -0.62 2.20 0.12 0.32 119.74 125.05 2wpa s LYS 20 Ca 0.22 1.31 -0.00 0.00 -0.36 0.00 0.00 55.97 57.13 2wpa s LYS 20 Cb -0.13 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2wpa s LYS 20 CO 0.12 0.13 0.10 0.00 -0.36 0.00 0.00 175.35 175.34 2wpa s ALA 21 N 0.39 1.27 -0.04 3.13 0.00 0.92 -0.58 121.76 126.85 2wpa s ALA 21 Ca 0.46 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.73 2wpa s ALA 21 Cb -0.21 1.18 0.02 0.00 0.00 0.00 0.00 23.12 24.11 2wpa s ALA 21 CO 0.27 -0.53 -0.06 0.50 0.00 0.00 0.00 175.76 175.94 2wpa s ARG 22 N -4.10 0.87 -0.28 0.00 3.52 -0.28 -0.85 118.95 117.83 2wpa s ARG 22 Ca 0.36 -0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.52 2wpa s ARG 22 Cb 0.07 -0.84 -0.02 0.00 -1.56 0.00 0.00 34.95 32.60 2wpa s ARG 22 CO 0.10 -0.04 1.78 1.21 -0.81 0.00 0.00 175.30 177.55 2wpa s ASN 23 N 0.73 6.02 0.60 -2.12 3.84 0.36 -0.54 114.94 123.83 2wpa s ASN 23 Ca -0.10 1.48 0.31 0.00 0.21 0.00 0.00 52.86 54.75 2wpa s ASN 23 Cb -0.13 -2.53 1.80 0.00 -0.55 0.00 0.00 41.25 39.85 2wpa s ASN 23 CO 0.01 -1.57 2.19 0.11 -2.79 0.00 0.00 177.10 175.04 2wpa h LYS 24 N 12.33 0.00 0.03 0.43 1.57 -0.65 0.23 116.57 130.51 2wpa h LYS 24 Ca -0.35 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.05 2wpa h LYS 24 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 2wpa h LYS 24 CO 1.01 0.00 -2.20 1.28 -0.57 0.00 0.00 179.45 178.97 2wpa n LEU 25 N -3.72 2.50 0.02 2.94 4.77 -1.26 -4.55 117.00 117.70 2wpa n LEU 25 Ca -0.01 0.14 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 2wpa n LEU 25 Cb 0.20 -0.95 -0.13 0.00 -2.33 0.00 0.00 43.42 40.21 2wpa n LEU 25 CO 0.26 0.74 -0.57 0.35 -1.33 0.00 0.00 177.39 176.84 2wpa n THR 26 N -3.72 0.15 -0.89 -5.08 -2.24 -1.21 -4.97 114.28 96.32 2wpa n THR 26 Ca -0.43 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 2wpa n THR 26 Cb 0.94 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2wpa n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpa n GLY 27 N 1.24 0.84 3.76 3.38 0.00 0.82 -5.02 105.19 110.22 2wpa n GLY 27 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2wpa n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wpa s GLU 28 N -0.11 4.24 -0.17 1.61 2.12 -1.26 -4.61 118.70 120.51 2wpa s GLU 28 Ca 0.00 2.38 -0.17 0.00 0.36 0.00 0.00 54.97 57.53 2wpa s GLU 28 Cb 0.00 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 2wpa s GLU 28 CO 0.00 -0.42 0.45 0.08 -0.54 0.00 0.00 175.26 174.83 2wpa s VAL 29 N -0.48 5.18 0.18 3.70 1.01 -1.26 -0.49 120.40 128.24 2wpa s VAL 29 Ca 0.56 0.84 0.03 0.00 0.00 0.00 0.00 61.98 63.41 2wpa s VAL 29 Cb -0.43 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2wpa s VAL 29 CO 0.50 0.27 -0.02 0.68 0.00 0.00 0.00 175.10 176.53 2wpa s VAL 30 N 1.08 0.83 -0.30 2.92 -7.23 -0.03 -4.09 120.40 113.58 2wpa s VAL 30 Ca 0.22 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.32 2wpa s VAL 30 Cb -0.15 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.69 2wpa s VAL 30 CO 0.09 -0.49 0.10 0.00 -0.31 0.00 0.00 175.10 174.48 2wpa s ALA 31 N -3.56 3.10 -0.23 1.32 0.00 -0.32 -0.06 121.76 122.01 2wpa s ALA 31 Ca 0.23 -1.48 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 2wpa s ALA 31 Cb 0.05 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 2wpa s ALA 31 CO 0.04 -0.98 0.60 -0.51 0.00 0.00 0.00 175.76 174.91 2wpa s LEU 32 N 1.51 4.09 -0.34 0.00 1.43 0.15 -1.49 118.68 124.03 2wpa s LEU 32 Ca 0.02 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 2wpa s LEU 32 Cb -0.17 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 2wpa s LEU 32 CO 0.03 -0.31 0.23 -0.75 0.23 0.00 0.00 176.35 175.78 2wpa s LYS 33 N 2.22 3.42 -0.41 1.70 2.20 -0.48 0.16 119.74 128.53 2wpa s LYS 33 Ca 0.26 -0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 55.05 2wpa s LYS 33 Cb -0.16 -3.77 0.05 0.00 -1.51 0.00 0.00 37.83 32.44 2wpa s LYS 33 CO 0.09 -0.46 0.28 0.21 -0.36 0.00 0.00 175.35 175.11 2wpa s LYS 34 N 1.70 2.83 -0.18 4.03 2.20 0.23 -1.95 119.74 128.60 2wpa s LYS 34 Ca 0.06 -1.23 -0.12 0.00 -0.36 0.00 0.00 55.97 54.32 2wpa s LYS 34 Cb -0.17 -3.88 -0.05 0.00 -1.51 0.00 0.00 37.83 32.22 2wpa s LYS 34 CO 0.10 -0.85 0.21 0.42 -0.36 0.00 0.00 175.35 174.86 2wpa s ILE 35 N 1.56 5.36 -0.04 5.43 1.01 -0.58 -2.21 121.20 131.73 2wpa s ILE 35 Ca 0.03 0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.86 2wpa s ILE 35 Cb -0.21 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 2wpa s ILE 35 CO 0.06 0.42 0.52 -0.13 0.00 0.00 0.00 174.94 175.81 2wpa s ARG 36 N 0.39 4.25 -0.20 2.79 0.52 -1.26 -1.88 118.95 123.55 2wpa s ARG 36 Ca 0.12 0.59 -0.10 0.00 -0.52 0.00 0.00 55.73 55.82 2wpa s ARG 36 Cb -0.12 -3.35 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 2wpa s ARG 36 CO 0.01 0.37 0.13 -0.51 0.02 0.00 0.00 175.30 175.32 2wpa s LEU 37 N -0.13 4.16 -0.70 2.53 1.43 -0.61 -4.97 118.68 120.39 2wpa s LEU 37 Ca 0.28 0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 53.31 2wpa s LEU 37 Cb -0.17 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 43.99 2wpa s LEU 37 CO 0.14 0.16 1.39 -0.62 0.23 0.00 0.00 176.35 177.66 2wpa s ASP 38 N 0.46 6.01 0.00 2.29 -1.08 -1.26 -4.89 116.67 118.20 2wpa s ASP 38 Ca 0.07 -0.24 0.21 0.00 -0.52 0.00 0.00 52.55 52.08 2wpa s ASP 38 Cb -0.11 -2.55 0.96 0.00 -1.46 0.00 0.00 42.92 39.75 2wpa s ASP 38 CO -0.01 -1.92 1.65 0.41 0.52 0.00 0.00 175.17 175.83 2wpa n THR 39 N 6.57 0.11 0.00 1.71 -1.04 -1.26 -1.12 114.28 119.25 2wpa n THR 39 Ca 0.07 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2wpa n THR 39 Cb 0.50 0.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 2wpa n THR 39 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2wpa n GLU 40 N -0.15 2.62 0.00 -2.82 0.28 -1.26 -4.90 120.64 114.40 2wpa n GLU 40 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 2wpa n GLU 40 Cb 0.22 -0.78 0.00 0.00 1.43 0.00 0.00 31.44 32.32 2wpa n GLU 40 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2wpa n THR 41 N -0.84 0.01 0.03 3.84 -2.24 -1.25 -4.96 114.28 108.87 2wpa n THR 41 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2wpa n THR 41 Cb 0.00 1.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 2wpa n THR 41 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wpa n GLU 42 N -0.01 0.00 0.00 -0.78 2.13 -1.19 -5.11 120.64 115.69 2wpa n GLU 42 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2wpa n GLU 42 Cb 0.31 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 31.84 2wpa n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wpa n GLY 43 N 2.09 -0.92 3.68 8.31 0.00 -0.27 -4.82 105.19 113.25 2wpa n GLY 43 Ca 0.00 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 2wpa n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wpa s VAL 44 N 0.00 2.94 0.45 1.61 1.01 -1.26 -4.61 120.40 120.54 2wpa s VAL 44 Ca 0.00 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 2wpa s VAL 44 Cb 0.00 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 2wpa s VAL 44 CO 0.00 -0.01 1.41 -2.65 0.00 0.00 0.00 175.10 173.85 2wpa n PRO 45 N 6.15 2.20 -0.32 2.72 -0.02 -1.26 -4.84 135.00 139.62 2wpa n PRO 45 Ca 0.17 0.78 0.20 0.00 -2.02 0.00 0.00 63.50 62.63 2wpa n PRO 45 Cb 0.40 -2.60 0.39 0.00 -0.02 0.00 0.00 33.50 31.68 2wpa n PRO 45 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2wpa h SER 46 N 2.24 -0.02 0.12 2.55 0.02 -1.97 -1.78 113.55 114.72 2wpa h SER 46 Ca -0.50 0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 60.56 2wpa h SER 46 Cb 1.27 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 64.13 2wpa h SER 46 CO 0.61 -0.30 -0.46 0.71 -1.14 0.00 0.00 176.83 176.25 2wpa h THR 47 N 0.10 1.32 -0.21 -2.27 1.35 -1.91 -1.30 112.91 109.99 2wpa h THR 47 Ca 0.67 -1.66 -0.18 0.00 -0.55 0.00 0.00 66.41 64.69 2wpa h THR 47 Cb 1.52 1.70 -0.00 0.00 -1.73 0.00 0.00 68.15 69.64 2wpa h THR 47 CO -0.77 0.51 -0.60 0.00 -0.25 0.00 0.00 175.52 174.41 2wpa h ALA 48 N 1.18 0.56 -0.63 6.62 0.00 -1.67 -0.63 119.26 124.69 2wpa h ALA 48 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2wpa h ALA 48 Cb 0.94 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2wpa h ALA 48 CO 0.08 0.69 0.40 0.82 0.00 0.00 0.00 179.25 181.24 2wpa h ILE 49 N 0.51 1.11 0.21 0.00 1.08 -1.05 -0.66 117.51 118.72 2wpa h ILE 49 Ca -0.00 -0.27 -0.32 0.00 -0.39 0.00 0.00 64.86 63.87 2wpa h ILE 49 Cb 1.18 0.24 0.04 0.00 -3.07 0.00 0.00 36.82 35.21 2wpa h ILE 49 CO 0.12 0.15 -1.38 0.03 -0.69 0.00 0.00 178.15 176.38 2wpa h ARG 50 N 0.80 0.57 0.71 2.37 3.08 -1.21 -2.62 114.38 118.09 2wpa h ARG 50 Ca 0.24 -0.89 -0.03 0.00 0.07 0.00 0.00 59.98 59.37 2wpa h ARG 50 Cb -0.03 0.32 0.01 0.00 0.08 0.00 0.00 29.97 30.35 2wpa h ARG 50 CO -0.08 1.42 -0.34 1.49 -1.07 0.00 0.00 179.97 181.38 2wpa h GLU 51 N 0.18 -0.92 -0.22 0.04 4.81 -1.04 -0.98 114.58 116.43 2wpa h GLU 51 Ca -0.23 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2wpa h GLU 51 Cb 2.07 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 31.62 2wpa h GLU 51 CO 0.26 -0.59 0.00 0.82 -0.73 0.00 0.00 179.01 178.77 2wpa h ILE 52 N -1.07 0.84 -0.35 2.32 2.04 -1.25 -0.15 117.51 119.89 2wpa h ILE 52 Ca -0.10 -0.02 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 2wpa h ILE 52 Cb 0.76 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2wpa h ILE 52 CO 0.16 0.01 -0.27 0.77 0.00 0.00 0.00 178.15 178.82 2wpa h SER 53 N 0.07 0.76 0.20 1.72 4.64 -1.48 -2.58 113.55 116.88 2wpa h SER 53 Ca 0.11 -0.29 -0.30 0.00 -0.47 0.00 0.00 61.79 60.83 2wpa h SER 53 Cb 0.13 -0.21 0.03 0.00 -0.31 0.00 0.00 62.40 62.05 2wpa h SER 53 CO -0.18 0.99 -1.31 -0.07 -0.87 0.00 0.00 176.83 175.39 2wpa h LEU 54 N 0.63 0.80 -1.17 5.97 3.38 -0.98 -3.25 115.31 120.69 2wpa h LEU 54 Ca 0.08 -0.90 0.06 0.00 0.09 0.00 0.00 57.88 57.21 2wpa h LEU 54 Cb 0.79 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2wpa h LEU 54 CO 0.06 1.64 0.58 -0.07 0.09 0.00 0.00 178.44 180.74 2wpa h LEU 55 N 0.09 0.90 -2.08 1.67 4.07 -1.06 -2.02 115.31 116.88 2wpa h LEU 55 Ca -0.22 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.83 2wpa h LEU 55 Cb 2.02 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 43.55 2wpa h LEU 55 CO 0.25 0.59 0.25 0.11 -1.08 0.00 0.00 178.44 178.56 2wpa h LYS 56 N 1.03 0.00 0.00 1.13 1.79 -1.49 0.17 116.57 119.20 2wpa h LYS 56 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2wpa h LYS 56 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2wpa h LYS 56 CO -0.13 0.00 -0.63 0.93 -1.08 0.00 0.00 179.45 178.54 2wpa h GLU 57 N 0.00 0.00 -3.82 3.15 5.08 -1.48 -3.43 114.58 114.08 2wpa h GLU 57 Ca 0.14 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.74 2wpa h GLU 57 Cb 0.64 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.61 2wpa h GLU 57 CO -0.00 0.00 -0.05 -0.51 -1.00 0.00 0.00 179.01 177.45 2wpa s LEU 58 N -5.09 6.35 -0.39 1.33 1.43 0.61 -4.99 118.68 117.93 2wpa s LEU 58 Ca 0.04 -2.62 -0.09 0.00 -1.03 0.00 0.00 54.13 50.42 2wpa s LEU 58 Cb 0.10 -2.13 0.05 0.00 0.03 0.00 0.00 46.19 44.25 2wpa s LEU 58 CO 0.73 -0.56 0.22 0.21 0.23 0.00 0.00 176.35 177.18 2wpa s ASN 59 N 1.98 5.63 -0.17 2.29 3.84 -1.26 -4.92 114.94 122.32 2wpa s ASN 59 Ca 0.16 -1.26 -0.28 0.00 0.21 0.00 0.00 52.86 51.69 2wpa s ASN 59 Cb -0.15 -1.98 0.09 0.00 -0.55 0.00 0.00 41.25 38.66 2wpa s ASN 59 CO -0.06 -0.45 0.82 -2.28 -2.79 0.00 0.00 177.10 172.33 2wpa s HIS 60 N 1.47 -0.60 0.20 0.43 2.46 -1.26 -5.06 115.29 112.92 2wpa s HIS 60 Ca 0.02 1.25 0.28 0.00 0.47 0.00 0.00 55.06 57.09 2wpa s HIS 60 Cb -0.21 0.37 1.21 0.00 -0.13 0.00 0.00 32.58 33.82 2wpa s HIS 60 CO 0.04 -0.42 1.94 -1.00 -2.47 0.00 0.00 174.74 172.82 2wpa h PRO 61 N 3.68 0.00 -0.59 2.88 0.13 -2.00 -2.46 132.00 133.65 2wpa h PRO 61 Ca -0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 2wpa h PRO 61 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2wpa h PRO 61 CO 0.23 0.13 0.03 0.09 -0.23 0.00 0.00 178.00 178.26 2wpa n ASN 62 N -3.34 5.60 -4.07 1.44 5.03 -1.26 -4.85 115.26 113.81 2wpa n ASN 62 Ca -0.00 -2.98 -0.24 0.00 0.87 0.00 0.00 54.58 52.22 2wpa n ASN 62 Cb 0.34 -0.69 -0.16 0.00 -1.02 0.00 0.00 39.78 38.25 2wpa n ASN 62 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wpa s ILE 63 N -2.81 1.19 0.57 2.41 1.01 -0.93 -1.23 121.20 121.42 2wpa s ILE 63 Ca 0.55 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 2wpa s ILE 63 Cb 0.42 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 2wpa s ILE 63 CO 0.15 0.36 1.31 0.54 0.00 0.00 0.00 174.94 177.30 2wpa s VAL 64 N 0.28 2.21 -0.16 2.92 0.11 -0.07 -4.61 120.40 121.07 2wpa s VAL 64 Ca -0.07 0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 58.98 2wpa s VAL 64 Cb -0.12 -3.07 -0.05 0.00 -1.53 0.00 0.00 36.38 31.61 2wpa s VAL 64 CO 0.02 -0.01 0.30 -0.54 -3.33 0.00 0.00 175.10 171.54 2wpa s LYS 65 N -3.08 4.26 -0.29 1.54 1.02 -1.26 -4.99 119.74 116.93 2wpa s LYS 65 Ca 0.75 0.11 -0.18 0.00 0.02 0.00 0.00 55.97 56.67 2wpa s LYS 65 Cb -0.37 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.48 2wpa s LYS 65 CO 0.43 0.22 0.49 -1.17 -0.92 0.00 0.00 175.35 174.40 2wpa s LEU 66 N 0.53 4.15 -0.07 3.17 2.96 -1.26 -1.59 118.68 126.57 2wpa s LEU 66 Ca 0.17 0.30 0.18 0.00 -0.22 0.00 0.00 54.13 54.56 2wpa s LEU 66 Cb -0.13 -2.60 -0.23 0.00 0.50 0.00 0.00 46.19 43.72 2wpa s LEU 66 CO 0.04 -0.34 0.43 0.18 -1.32 0.00 0.00 176.35 175.34 2wpa n LEU 67 N 5.59 0.31 -3.61 -0.68 4.77 0.32 -4.98 117.00 118.71 2wpa n LEU 67 Ca -0.05 0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 2wpa n LEU 67 Cb 0.50 0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 2wpa n LEU 67 CO 0.41 0.26 0.93 -0.62 -1.33 0.00 0.00 177.39 177.04 2wpa s ASP 68 N -5.37 -0.16 -0.06 -1.43 2.15 -1.03 -4.98 116.67 105.78 2wpa s ASP 68 Ca -0.07 -0.09 -0.02 0.00 0.43 0.00 0.00 52.55 52.80 2wpa s ASP 68 Cb 0.09 0.24 0.03 0.00 -0.30 0.00 0.00 42.92 42.98 2wpa s ASP 68 CO 0.84 -0.41 0.03 -0.69 -0.17 0.00 0.00 175.17 174.77 2wpa s VAL 69 N -2.67 0.12 -0.24 1.11 1.01 -1.26 -1.08 120.40 117.39 2wpa s VAL 69 Ca 0.10 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 2wpa s VAL 69 Cb 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2wpa s VAL 69 CO -0.04 0.19 0.04 -0.63 0.00 0.00 0.00 175.10 174.65 2wpa s ILE 70 N 2.07 4.00 -0.46 2.22 1.09 0.24 -4.99 121.20 125.37 2wpa s ILE 70 Ca 0.05 -0.31 -0.01 0.00 -1.10 0.00 0.00 60.65 59.28 2wpa s ILE 70 Cb -0.12 -2.87 0.12 0.00 -1.06 0.00 0.00 42.46 38.53 2wpa s ILE 70 CO -0.04 0.35 0.24 -2.28 -0.10 0.00 0.00 174.94 173.11 2wpa s HIS 71 N 1.57 3.54 0.00 3.97 2.46 -1.26 -0.40 115.29 125.16 2wpa s HIS 71 Ca 0.06 -2.64 0.00 0.00 0.47 0.00 0.00 55.06 52.95 2wpa s HIS 71 Cb -0.15 -3.14 0.00 0.00 -0.13 0.00 0.00 32.58 29.16 2wpa s HIS 71 CO 0.01 -0.92 0.00 0.25 -2.47 0.00 0.00 174.74 171.61 2wpa n THR 72 N 4.16 0.00 0.07 0.89 -2.24 -0.55 -5.00 114.28 111.60 2wpa n THR 72 Ca 0.02 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 2wpa n THR 72 Cb 0.40 -1.59 -0.05 0.00 -2.10 0.00 0.00 70.33 66.99 2wpa n THR 72 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2wpa h GLU 73 N 0.00 -0.36 0.00 -0.78 9.09 -2.04 -3.37 114.58 117.11 2wpa h GLU 73 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2wpa h GLU 73 Cb 0.00 0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 2wpa h GLU 73 CO 0.00 -0.24 0.00 0.27 0.05 0.00 0.00 179.01 179.09 2wpa n ASN 74 N -5.35 0.24 -4.31 3.06 2.04 -1.26 -4.98 115.26 104.70 2wpa n ASN 74 Ca -0.05 -1.12 -0.29 0.00 -0.44 0.00 0.00 54.58 52.68 2wpa n ASN 74 Cb 0.27 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.37 2wpa n ASN 74 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 2wpa s LYS 75 N -0.12 1.74 -0.18 -3.83 1.02 -1.26 -1.57 119.74 115.55 2wpa s LYS 75 Ca 0.00 -1.01 0.01 0.00 0.02 0.00 0.00 55.97 54.98 2wpa s LYS 75 Cb 0.00 -1.85 0.02 0.00 -0.52 0.00 0.00 37.83 35.48 2wpa s LYS 75 CO 0.00 0.48 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.55 2wpa s LEU 76 N -1.07 2.07 -0.21 3.17 2.96 -0.79 -1.49 118.68 123.32 2wpa s LEU 76 Ca 0.10 -0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 2wpa s LEU 76 Cb -0.10 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2wpa s LEU 76 CO 0.01 -0.01 0.01 -0.31 -1.32 0.00 0.00 176.35 174.73 2wpa s TYR 77 N 1.31 3.04 -0.23 5.38 1.51 0.46 -1.53 117.35 127.29 2wpa s TYR 77 Ca 0.05 -0.51 -0.10 0.00 -1.01 0.00 0.00 57.07 55.49 2wpa s TYR 77 Cb -0.13 -2.11 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 2wpa s TYR 77 CO -0.13 -0.30 0.14 -0.51 -1.11 0.00 0.00 175.55 173.65 2wpa s LEU 78 N 1.16 4.10 -0.25 -1.29 1.43 -0.82 -0.59 118.68 122.42 2wpa s LEU 78 Ca 0.03 0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 2wpa s LEU 78 Cb -0.14 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 2wpa s LEU 78 CO 0.01 0.10 0.24 -0.69 0.23 0.00 0.00 176.35 176.24 2wpa s VAL 79 N 0.86 5.29 0.30 -1.59 1.01 -0.24 -1.38 120.40 124.65 2wpa s VAL 79 Ca 0.07 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.45 2wpa s VAL 79 Cb -0.13 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 2wpa s VAL 79 CO 0.03 0.27 -0.09 -0.36 0.00 0.00 0.00 175.10 174.95 2wpa s PHE 80 N 1.46 2.13 0.47 5.22 0.40 -0.56 0.12 117.98 127.22 2wpa s PHE 80 Ca 0.10 -0.59 -0.23 0.00 -0.60 0.00 0.00 56.93 55.62 2wpa s PHE 80 Cb -0.15 -1.18 -0.07 0.00 0.51 0.00 0.00 43.02 42.13 2wpa s PHE 80 CO 0.08 0.43 1.18 -1.83 0.70 0.00 0.00 175.22 175.77 2wpa s GLU 81 N -3.66 3.69 -0.07 0.44 -1.05 -0.62 -1.18 118.70 116.26 2wpa s GLU 81 Ca 0.30 1.80 -0.19 0.00 -0.15 0.00 0.00 54.97 56.72 2wpa s GLU 81 Cb 0.02 -2.37 -0.05 0.00 -0.44 0.00 0.00 34.13 31.29 2wpa s GLU 81 CO 0.13 -0.61 0.54 0.12 0.95 0.00 0.00 175.26 176.39 2wpa s PHE 82 N -1.54 3.58 0.20 4.83 2.19 -1.26 -4.36 117.98 121.62 2wpa s PHE 82 Ca 0.65 1.03 0.10 0.00 0.33 0.00 0.00 56.93 59.04 2wpa s PHE 82 Cb -0.29 -2.59 -0.04 0.00 -1.31 0.00 0.00 43.02 38.79 2wpa s PHE 82 CO 0.35 0.24 -0.20 -0.51 1.83 0.00 0.00 175.22 176.93 2wpa s LEU 83 N 0.32 2.48 -0.04 6.12 1.02 -1.26 -4.99 118.68 122.32 2wpa s LEU 83 Ca 0.29 -0.91 0.05 0.00 0.02 0.00 0.00 54.13 53.58 2wpa s LEU 83 Cb -0.16 -0.95 -0.24 0.00 0.02 0.00 0.00 46.19 44.85 2wpa s LEU 83 CO 0.14 0.01 0.67 0.45 0.02 0.00 0.00 176.35 177.63 2wpa h HIS 84 N 2.99 0.18 -3.67 0.29 3.86 -1.88 -3.48 115.15 113.44 2wpa h HIS 84 Ca -0.42 -0.13 -0.15 0.00 -1.16 0.00 0.00 60.37 58.51 2wpa h HIS 84 Cb 1.22 -0.01 -0.20 0.00 1.06 0.00 0.00 27.41 29.48 2wpa h HIS 84 CO 0.71 1.24 -0.54 -1.14 0.86 0.00 0.00 177.93 179.06 2wpa s GLN 85 N -2.60 0.47 0.28 2.45 2.00 -1.03 -5.03 119.66 116.20 2wpa s GLN 85 Ca -0.09 -0.52 0.07 0.00 -2.00 0.00 0.00 55.36 52.81 2wpa s GLN 85 Cb 0.08 0.19 -0.03 0.00 0.80 0.00 0.00 33.01 34.05 2wpa s GLN 85 CO 0.82 -0.11 0.28 0.16 -0.50 0.00 0.00 175.29 175.94 2wpa s ASP 86 N -1.57 5.70 0.48 6.67 1.47 -1.26 0.17 116.67 128.32 2wpa s ASP 86 Ca -0.13 -0.23 0.32 0.00 1.18 0.00 0.00 52.55 53.69 2wpa s ASP 86 Cb -0.07 -1.39 1.38 0.00 -0.34 0.00 0.00 42.92 42.50 2wpa s ASP 86 CO -0.00 -0.16 1.94 0.25 0.68 0.00 0.00 175.17 177.88 2wpa h LEU 87 N 1.30 0.00 0.20 2.11 5.85 -0.44 -2.68 115.31 121.66 2wpa h LEU 87 Ca -0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 2wpa h LEU 87 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2wpa h LEU 87 CO 0.59 0.00 -0.10 0.50 -0.34 0.00 0.00 178.44 179.10 2wpa h LYS 88 N 0.00 -0.26 0.00 1.25 3.64 -1.78 -1.52 116.57 117.90 2wpa h LYS 88 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2wpa h LYS 88 Cb 0.39 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2wpa h LYS 88 CO 0.00 0.13 -0.16 0.87 -2.27 0.00 0.00 179.45 178.02 2wpa h LYS 89 N -0.85 0.00 -0.10 1.90 1.57 -1.87 -2.08 116.57 115.14 2wpa h LYS 89 Ca -0.03 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 2wpa h LYS 89 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2wpa h LYS 89 CO 0.05 0.16 -0.76 0.35 -0.57 0.00 0.00 179.45 178.68 2wpa h PHE 90 N 0.00 0.75 0.00 -1.35 3.57 -1.47 -2.05 116.94 116.39 2wpa h PHE 90 Ca -0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2wpa h PHE 90 Cb 0.35 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2wpa h PHE 90 CO 0.00 1.13 0.00 0.52 -2.23 0.00 0.00 178.31 177.73 2wpa h MET 91 N 0.37 0.00 0.12 1.11 2.86 -0.62 -2.55 114.93 116.23 2wpa h MET 91 Ca -0.04 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.35 2wpa h MET 91 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 2wpa h MET 91 CO 0.14 0.00 -1.23 -0.44 1.06 0.00 0.00 176.91 176.44 2wpa h ASP 92 N 0.00 0.41 0.67 1.22 5.19 -1.21 -3.24 116.42 119.47 2wpa h ASP 92 Ca 0.00 -0.88 -0.01 0.00 -0.62 0.00 0.00 57.03 55.52 2wpa h ASP 92 Cb 0.54 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.92 2wpa h ASP 92 CO 0.00 1.55 -0.05 0.00 -3.12 0.00 0.00 179.24 177.62 2wpa h ALA 93 N -0.01 1.06 -0.51 3.45 0.00 -1.29 -2.15 119.26 119.81 2wpa h ALA 93 Ca -0.25 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2wpa h ALA 93 Cb 1.73 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 2wpa h ALA 93 CO 0.09 0.06 0.08 0.43 0.00 0.00 0.00 179.25 179.91 2wpa n SER 94 N -3.23 4.66 -0.04 0.00 7.64 -0.97 -4.70 113.62 116.97 2wpa n SER 94 Ca -0.01 -3.11 -0.13 0.00 1.01 0.00 0.00 58.87 56.63 2wpa n SER 94 Cb 0.26 -0.66 -0.08 0.00 -1.01 0.00 0.00 64.21 62.72 2wpa n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wpa h ALA 95 N 2.69 0.16 0.83 -0.43 0.00 -1.40 0.95 119.26 122.05 2wpa h ALA 95 Ca 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2wpa h ALA 95 Cb 1.90 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 2wpa h ALA 95 CO 0.47 0.04 -0.48 1.37 0.00 0.00 0.00 179.25 180.65 2wpa h LEU 96 N -0.13 -1.18 -0.01 0.00 -0.00 -1.84 -3.33 115.31 108.82 2wpa h LEU 96 Ca 0.01 0.06 -0.18 0.00 -0.00 0.00 0.00 57.88 57.77 2wpa h LEU 96 Cb 0.67 0.33 0.01 0.00 -0.00 0.00 0.00 40.66 41.68 2wpa h LEU 96 CO 0.03 -0.75 -0.71 0.74 -0.00 0.00 0.00 178.44 177.75 2wpa h THR 97 N -1.21 1.38 0.00 0.15 2.02 -1.89 -3.50 112.91 109.85 2wpa h THR 97 Ca -0.11 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 64.97 2wpa h THR 97 Cb 0.96 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 2wpa h THR 97 CO 0.14 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.26 2wpa n GLY 98 N 1.04 1.44 3.73 2.16 0.00 0.33 -4.98 105.19 108.91 2wpa n GLY 98 Ca -0.10 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 2wpa n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wpa s ILE 99 N -2.44 4.16 0.28 -0.61 1.01 -1.26 -4.91 121.20 117.43 2wpa s ILE 99 Ca 0.00 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.11 2wpa s ILE 99 Cb 0.00 -4.13 -0.12 0.00 0.01 0.00 0.00 42.46 38.22 2wpa s ILE 99 CO 0.00 0.26 1.50 -2.65 0.00 0.00 0.00 174.94 174.05 2wpa n PRO 100 N 2.84 2.42 -0.35 2.79 -0.02 -1.26 -4.81 135.00 136.61 2wpa n PRO 100 Ca 0.04 0.86 0.09 0.00 -2.02 0.00 0.00 63.50 62.47 2wpa n PRO 100 Cb 0.47 -2.58 0.28 0.00 -0.02 0.00 0.00 33.50 31.65 2wpa n PRO 100 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wpa h LEU 101 N 4.38 0.86 -1.40 2.45 3.38 -1.99 -0.47 115.31 122.52 2wpa h LEU 101 Ca -0.46 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 2wpa h LEU 101 Cb 1.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2wpa h LEU 101 CO 0.76 0.42 0.10 -0.65 0.09 0.00 0.00 178.44 179.16 2wpa h PRO 102 N 0.90 0.51 -0.02 1.13 0.11 -2.00 -1.93 132.00 130.70 2wpa h PRO 102 Ca 0.51 -0.07 -0.24 0.00 0.11 0.00 0.00 66.00 66.31 2wpa h PRO 102 Cb 0.63 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.65 2wpa h PRO 102 CO -0.28 0.46 -0.96 1.25 -0.21 0.00 0.00 178.00 178.26 2wpa h LEU 103 N 0.50 0.70 -0.83 2.35 5.85 -1.50 -2.37 115.31 120.02 2wpa h LEU 103 Ca 0.12 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.31 2wpa h LEU 103 Cb 0.17 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2wpa h LEU 103 CO -0.01 1.34 0.54 0.40 -0.34 0.00 0.00 178.44 180.38 2wpa h ILE 104 N 0.32 1.19 -0.37 4.05 2.04 -0.94 -0.41 117.51 123.38 2wpa h ILE 104 Ca -0.09 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 2wpa h ILE 104 Cb 1.59 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2wpa h ILE 104 CO 0.18 0.20 0.00 0.50 0.00 0.00 0.00 178.15 179.03 2wpa h LYS 105 N 1.10 0.65 0.78 2.37 3.64 -1.34 -1.57 116.57 122.19 2wpa h LYS 105 Ca 0.31 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2wpa h LYS 105 Cb -0.09 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2wpa h LYS 105 CO -0.08 0.76 -0.48 1.03 -2.27 0.00 0.00 179.45 178.41 2wpa h SER 106 N 0.47 -1.22 -0.57 4.20 0.87 -0.98 -1.06 113.55 115.26 2wpa h SER 106 Ca 0.10 0.07 0.11 0.00 -1.23 0.00 0.00 61.79 60.85 2wpa h SER 106 Cb 0.46 0.36 -0.11 0.00 -0.44 0.00 0.00 62.40 62.67 2wpa h SER 106 CO 0.02 -0.74 -0.18 1.88 -0.53 0.00 0.00 176.83 177.28 2wpa h TYR 107 N -1.18 -0.42 -0.19 2.24 0.05 -1.11 -0.77 116.97 115.60 2wpa h TYR 107 Ca -0.10 0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 2wpa h TYR 107 Cb 0.95 0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.95 2wpa h TYR 107 CO -0.10 -0.28 -0.07 1.25 -1.05 0.00 0.00 178.16 177.91 2wpa h LEU 108 N -0.04 0.27 -0.34 3.88 5.85 -1.13 0.28 115.31 124.07 2wpa h LEU 108 Ca 0.27 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 2wpa h LEU 108 Cb 0.45 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2wpa h LEU 108 CO -0.60 0.38 0.07 0.15 -0.34 0.00 0.00 178.44 178.10 2wpa h PHE 109 N 0.28 0.59 -0.03 1.25 3.57 0.12 -2.43 116.94 120.29 2wpa h PHE 109 Ca 0.06 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2wpa h PHE 109 Cb 0.31 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 2wpa h PHE 109 CO 0.01 0.61 0.00 1.96 -2.23 0.00 0.00 178.31 178.66 2wpa h GLN 110 N 0.40 0.05 -0.89 1.11 4.20 -0.30 -2.66 115.11 117.03 2wpa h GLN 110 Ca 0.11 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.92 2wpa h GLN 110 Cb 0.32 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 2wpa h GLN 110 CO 0.00 0.31 0.57 -0.07 -0.67 0.00 0.00 178.83 178.97 2wpa h LEU 111 N -0.21 0.72 -0.92 1.46 3.38 -0.97 0.69 115.31 119.47 2wpa h LEU 111 Ca 0.01 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2wpa h LEU 111 Cb 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2wpa h LEU 111 CO 0.00 0.39 -0.43 -0.07 0.09 0.00 0.00 178.44 178.42 2wpa h LEU 112 N 0.78 0.00 0.08 1.67 3.38 -1.34 -1.18 115.31 118.71 2wpa h LEU 112 Ca 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 2wpa h LEU 112 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2wpa h LEU 112 CO -0.19 0.43 -0.04 1.56 0.09 0.00 0.00 178.44 180.29 2wpa h GLN 113 N 0.00 -0.11 -0.30 1.13 4.20 -0.54 -0.17 115.11 119.32 2wpa h GLN 113 Ca -0.00 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wpa h GLN 113 Cb 0.93 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 2wpa h GLN 113 CO 0.06 0.37 0.17 0.78 -0.67 0.00 0.00 178.83 179.54 2wpa h GLY 114 N -0.66 0.44 1.35 3.46 0.00 -1.33 -1.77 103.07 104.56 2wpa h GLY 114 Ca -0.01 -0.18 -0.28 0.00 0.00 0.00 0.00 47.33 46.86 2wpa h GLY 114 CO 0.02 0.17 -1.17 -2.00 0.00 0.00 0.00 176.54 173.56 2wpa h LEU 115 N 0.42 0.76 -1.34 3.11 5.85 -1.15 -2.00 115.31 120.96 2wpa h LEU 115 Ca 0.11 -0.69 -0.07 0.00 0.84 0.00 0.00 57.88 58.08 2wpa h LEU 115 Cb 0.01 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2wpa h LEU 115 CO -0.02 1.50 -0.28 0.00 -0.34 0.00 0.00 178.44 179.30 2wpa h ALA 116 N 0.43 1.45 -0.17 1.25 0.00 -0.84 -0.24 119.26 121.13 2wpa h ALA 116 Ca -0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2wpa h ALA 116 Cb 1.84 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2wpa h ALA 116 CO 0.22 0.40 -0.03 0.35 0.00 0.00 0.00 179.25 180.19 2wpa h PHE 117 N 0.07 0.36 0.03 0.00 3.57 -1.22 -1.60 116.94 118.15 2wpa h PHE 117 Ca 0.01 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.46 2wpa h PHE 117 Cb 0.54 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 2wpa h PHE 117 CO 0.00 0.58 -0.31 0.00 -2.23 0.00 0.00 178.31 176.35 2wpa h HIS 119 N -0.48 0.42 0.00 0.00 3.86 -1.03 -0.09 115.15 117.83 2wpa h HIS 119 Ca 0.05 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2wpa h HIS 119 Cb 0.55 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2wpa h HIS 119 CO -0.32 0.38 -0.08 -1.13 0.86 0.00 0.00 177.93 177.63 2wpa n SER 120 N -4.37 0.47 -1.76 2.45 3.41 -0.60 -2.07 113.62 111.15 2wpa n SER 120 Ca 0.01 0.46 -0.18 0.00 -0.26 0.00 0.00 58.87 58.91 2wpa n SER 120 Cb 0.17 -0.54 0.15 0.00 -0.26 0.00 0.00 64.21 63.73 2wpa n SER 120 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wpa n HIS 121 N -1.91 2.19 -4.14 7.33 8.25 -0.52 -4.97 115.22 121.45 2wpa n HIS 121 Ca 0.06 -2.02 -0.31 0.00 -0.26 0.00 0.00 57.72 55.19 2wpa n HIS 121 Cb 0.39 -0.76 -0.04 0.00 1.12 0.00 0.00 29.99 30.69 2wpa n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2wpa n ARG 122 N -1.04 -2.65 -4.65 -0.41 -4.01 -0.88 -4.95 116.66 98.07 2wpa n ARG 122 Ca 0.47 0.32 -0.33 0.00 -1.04 0.00 0.00 57.85 57.27 2wpa n ARG 122 Cb 1.11 -4.51 -0.16 0.00 -3.04 0.00 0.00 32.46 25.86 2wpa n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2wpa s VAL 123 N -3.82 2.36 -0.12 8.89 1.01 -0.16 -1.51 120.40 127.05 2wpa s VAL 123 Ca 0.26 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 2wpa s VAL 123 Cb -0.14 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2wpa s VAL 123 CO 0.93 0.53 0.28 -0.76 0.00 0.00 0.00 175.10 176.09 2wpa s LEU 124 N 0.77 4.32 -0.11 3.92 1.43 -0.45 -3.61 118.68 124.96 2wpa s LEU 124 Ca -0.07 0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 53.45 2wpa s LEU 124 Cb -0.16 -2.35 -0.15 0.00 0.03 0.00 0.00 46.19 43.56 2wpa s LEU 124 CO -0.00 0.21 0.53 -0.74 0.23 0.00 0.00 176.35 176.58 2wpa h HIS 125 N 5.90 -0.04 0.00 0.29 -0.00 -1.90 -2.19 115.15 117.21 2wpa h HIS 125 Ca -0.46 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 2wpa h HIS 125 Cb 1.19 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2wpa h HIS 125 CO 0.66 0.49 0.00 0.54 -0.00 0.00 0.00 177.93 179.62 2wpa n ARG 126 N -4.73 0.00 -2.70 5.26 1.74 -1.26 -3.40 116.66 111.56 2wpa n ARG 126 Ca -0.06 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.96 2wpa n ARG 126 Cb 0.27 -2.42 0.06 0.00 -1.02 0.00 0.00 32.46 29.35 2wpa n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wpa n ASP 127 N 0.00 0.43 -4.63 0.55 2.03 -1.26 -3.82 116.55 109.85 2wpa n ASP 127 Ca 0.00 -2.49 -0.43 0.00 0.52 0.00 0.00 54.79 52.39 2wpa n ASP 127 Cb 0.00 -0.05 -0.02 0.00 -0.72 0.00 0.00 41.12 40.32 2wpa n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wpa s LEU 128 N -3.35 3.88 0.07 -2.67 1.43 -1.26 -4.88 118.68 111.90 2wpa s LEU 128 Ca 0.24 1.07 -0.21 0.00 -1.03 0.00 0.00 54.13 54.21 2wpa s LEU 128 Cb 0.42 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 43.14 2wpa s LEU 128 CO -0.02 -1.01 0.48 -1.59 0.23 0.00 0.00 176.35 174.44 2wpa s LYS 129 N 3.98 1.03 0.43 1.70 -2.85 -1.26 -4.82 119.74 117.96 2wpa s LYS 129 Ca 0.51 -0.35 0.20 0.00 -1.00 0.00 0.00 55.97 55.33 2wpa s LYS 129 Cb -0.14 0.47 1.14 0.00 -2.06 0.00 0.00 37.83 37.24 2wpa s LYS 129 CO 0.21 -0.38 1.85 -1.35 0.10 0.00 0.00 175.35 175.78 2wpa h PRO 130 N 2.72 0.34 0.00 1.78 0.11 -1.93 0.34 132.00 135.36 2wpa h PRO 130 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2wpa h PRO 130 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2wpa h PRO 130 CO 0.42 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 2wpa n GLN 131 N -4.49 0.14 -0.23 1.05 0.00 -1.26 -2.22 117.38 110.38 2wpa n GLN 131 Ca 0.20 0.16 0.07 0.00 0.00 0.00 0.00 57.00 57.43 2wpa n GLN 131 Cb 0.75 -1.50 0.20 0.00 0.00 0.00 0.00 30.24 29.68 2wpa n GLN 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2wpa n ASN 132 N -1.38 3.19 -4.18 2.61 3.02 0.12 -4.89 115.26 113.75 2wpa n ASN 132 Ca 0.06 -2.00 -0.34 0.00 -0.03 0.00 0.00 54.58 52.28 2wpa n ASN 132 Cb 0.16 -0.30 -0.15 0.00 -0.61 0.00 0.00 39.78 38.88 2wpa n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wpa s LEU 133 N -1.00 2.46 -0.03 3.41 1.43 -1.06 -1.89 118.68 122.01 2wpa s LEU 133 Ca 0.30 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2wpa s LEU 133 Cb 0.16 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 2wpa s LEU 133 CO 0.20 -0.02 -0.00 -0.76 0.23 0.00 0.00 176.35 176.00 2wpa s LEU 134 N 1.35 3.51 0.04 1.79 1.43 -0.60 -0.70 118.68 125.50 2wpa s LEU 134 Ca 0.05 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2wpa s LEU 134 Cb -0.14 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2wpa s LEU 134 CO -0.09 0.31 -0.19 0.27 0.23 0.00 0.00 176.35 176.88 2wpa s ILE 135 N -1.01 1.54 0.28 -0.59 -4.36 0.13 0.16 121.20 117.34 2wpa s ILE 135 Ca 0.17 -1.12 0.04 0.00 -0.26 0.00 0.00 60.65 59.48 2wpa s ILE 135 Cb -0.11 -1.35 0.04 0.00 1.25 0.00 0.00 42.46 42.29 2wpa s ILE 135 CO 0.07 0.19 0.33 -0.46 0.24 0.00 0.00 174.94 175.31 2wpa n ASN 136 N 1.93 1.27 0.12 4.36 0.23 -0.56 -2.45 115.26 120.15 2wpa n ASN 136 Ca -0.17 -1.80 0.13 0.00 -0.53 0.00 0.00 54.58 52.21 2wpa n ASN 136 Cb 0.54 -0.15 0.28 0.00 -2.08 0.00 0.00 39.78 38.37 2wpa n ASN 136 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 2wpa h THR 137 N 0.20 0.00 0.00 5.53 1.35 -1.95 -3.17 112.91 114.88 2wpa h THR 137 Ca -0.14 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2wpa h THR 137 Cb 0.61 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2wpa h THR 137 CO 0.21 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.86 2wpa n GLU 138 N -2.44 0.50 -0.46 4.72 4.71 -1.26 -4.51 120.64 121.89 2wpa n GLU 138 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2wpa n GLU 138 Cb 0.46 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 2wpa n GLU 138 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wpa n GLY 139 N 1.24 1.24 3.74 0.62 0.00 -1.20 -4.50 105.19 106.34 2wpa n GLY 139 Ca 0.15 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2wpa n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpa s ALA 140 N -2.00 3.46 0.01 4.61 0.00 -1.26 -4.80 121.76 121.79 2wpa s ALA 140 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.20 2wpa s ALA 140 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 2wpa s ALA 140 CO 0.00 0.64 -0.22 -1.50 0.00 0.00 0.00 175.76 174.68 2wpa s ILE 141 N -1.04 1.76 0.01 0.00 2.07 -1.26 -1.49 121.20 121.24 2wpa s ILE 141 Ca 0.18 -1.10 0.01 0.00 -1.41 0.00 0.00 60.65 58.33 2wpa s ILE 141 Cb -0.12 -1.49 -0.01 0.00 0.13 0.00 0.00 42.46 40.97 2wpa s ILE 141 CO 0.08 0.36 -0.05 -0.54 -1.91 0.00 0.00 174.94 172.88 2wpa s LYS 142 N -0.86 0.36 0.29 3.50 1.02 0.12 -4.66 119.74 119.51 2wpa s LYS 142 Ca 0.09 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 2wpa s LYS 142 Cb -0.09 -0.21 -0.10 0.00 -0.52 0.00 0.00 37.83 36.91 2wpa s LYS 142 CO 0.01 0.05 1.23 -0.51 -0.92 0.00 0.00 175.35 175.20 2wpa s LEU 143 N -0.77 4.47 0.28 3.17 1.43 -0.37 -1.55 118.68 125.33 2wpa s LEU 143 Ca -0.05 2.49 -0.02 0.00 -1.03 0.00 0.00 54.13 55.51 2wpa s LEU 143 Cb -0.05 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 2wpa s LEU 143 CO -0.00 -0.39 0.33 0.00 0.23 0.00 0.00 176.35 176.52 2wpa s ALA 144 N -0.93 0.90 -0.28 4.21 0.00 -0.79 -0.89 121.76 123.98 2wpa s ALA 144 Ca 0.49 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2wpa s ALA 144 Cb -0.36 1.27 0.00 0.00 0.00 0.00 0.00 23.12 24.03 2wpa s ALA 144 CO 0.46 -0.72 0.02 -3.47 0.00 0.00 0.00 175.76 172.06 2wpa n ASP 145 N -0.88 -7.28 -1.06 0.00 -0.08 -1.26 -4.82 116.55 101.17 2wpa n ASP 145 Ca 0.02 1.37 0.08 0.00 -1.51 0.00 0.00 54.79 54.75 2wpa n ASP 145 Cb 0.63 -5.07 0.28 0.00 2.34 0.00 0.00 41.12 39.30 2wpa n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2wpa n PHE 146 N 0.85 1.13 0.28 -0.67 3.01 -1.26 -4.65 117.46 116.15 2wpa n PHE 146 Ca -0.04 -0.84 0.14 0.00 1.01 0.00 0.00 57.45 57.72 2wpa n PHE 146 Cb 0.09 -0.34 0.85 0.00 -0.01 0.00 0.00 39.48 40.07 2wpa n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2wpa h GLY 147 N 2.21 0.00 -1.84 1.37 0.00 -1.92 -0.18 103.07 102.71 2wpa h GLY 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wpa h GLY 147 CO 0.26 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.84 2wpa n LEU 148 N -4.02 3.18 -4.77 3.11 4.77 -1.26 -4.39 117.00 113.61 2wpa n LEU 148 Ca -0.03 -1.71 -0.34 0.00 -0.03 0.00 0.00 56.01 53.91 2wpa n LEU 148 Cb 0.10 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 2wpa n LEU 148 CO 0.29 0.74 0.76 0.00 -1.33 0.00 0.00 177.39 177.85 2wpa s ALA 149 N -1.13 2.54 -0.01 -1.18 0.00 -0.08 -4.70 121.76 117.19 2wpa s ALA 149 Ca 0.32 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 2wpa s ALA 149 Cb 0.18 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2wpa s ALA 149 CO 0.24 -1.12 0.05 1.03 0.00 0.00 0.00 175.76 175.96 2wpa s ARG 150 N -3.83 0.11 0.17 0.00 1.81 -0.82 -4.88 118.95 111.51 2wpa s ARG 150 Ca 0.69 -0.03 -0.30 0.00 -1.72 0.00 0.00 55.73 54.37 2wpa s ARG 150 Cb -0.22 0.05 -0.07 0.00 -0.45 0.00 0.00 34.95 34.26 2wpa s ARG 150 CO 0.37 -0.02 1.07 0.00 -0.68 0.00 0.00 175.30 176.04 2wpa s ALA 151 N -0.22 3.35 -0.26 2.13 0.00 -1.26 -1.34 121.76 124.16 2wpa s ALA 151 Ca -0.03 0.76 0.09 0.00 0.00 0.00 0.00 51.96 52.79 2wpa s ALA 151 Cb -0.02 -3.34 0.45 0.00 0.00 0.00 0.00 23.12 20.21 2wpa s ALA 151 CO 0.00 -0.17 1.20 1.97 0.00 0.00 0.00 175.76 178.76 2wpa n PHE 152 N 2.44 1.78 0.21 0.00 -1.74 -0.57 -4.63 117.46 114.96 2wpa n PHE 152 Ca 0.03 -1.96 0.15 0.00 -0.56 0.00 0.00 57.45 55.11 2wpa n PHE 152 Cb 0.47 -0.30 0.79 0.00 1.52 0.00 0.00 39.48 41.96 2wpa n PHE 152 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2wpa h GLY 153 N 1.80 0.00 -4.52 4.97 0.00 -1.95 -3.37 103.07 100.00 2wpa h GLY 153 Ca 0.23 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.88 2wpa h GLY 153 CO 0.49 0.00 -0.75 0.14 0.00 0.00 0.00 176.54 176.42 2wpa s VAL 154 N -4.77 3.27 0.25 4.60 1.01 -1.26 -5.10 120.40 118.40 2wpa s VAL 154 Ca -0.05 -1.05 -0.31 0.00 0.00 0.00 0.00 61.98 60.57 2wpa s VAL 154 Cb 0.16 -2.44 -0.12 0.00 0.00 0.00 0.00 36.38 33.98 2wpa s VAL 154 CO 0.60 0.30 1.60 -2.65 0.00 0.00 0.00 175.10 174.94 2wpa n PRO 155 N 1.32 2.57 -2.88 2.72 -0.02 -1.26 -4.96 135.00 132.49 2wpa n PRO 155 Ca -0.15 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 2wpa n PRO 155 Cb 0.52 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 2wpa n PRO 155 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wpa s VAL 156 N 0.33 4.91 0.23 -1.45 1.01 -1.26 -5.05 120.40 119.13 2wpa s VAL 156 Ca 0.68 1.70 -0.12 0.00 0.00 0.00 0.00 61.98 64.24 2wpa s VAL 156 Cb -0.54 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 31.61 2wpa s VAL 156 CO 0.44 0.11 0.59 -0.60 0.00 0.00 0.00 175.10 175.64 2wpa s ARG 157 N 1.57 3.89 -0.26 2.72 3.52 -1.26 -1.93 118.95 127.20 2wpa s ARG 157 Ca 0.41 0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 56.13 2wpa s ARG 157 Cb -0.18 -2.67 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2wpa s ARG 157 CO 0.17 0.32 1.38 0.95 -0.81 0.00 0.00 175.30 177.32 2wpa s THR 158 N -1.77 4.03 -0.66 4.11 -4.23 -0.59 -4.77 115.64 111.76 2wpa s THR 158 Ca 0.47 1.18 -0.26 0.00 -1.18 0.00 0.00 61.69 61.89 2wpa s THR 158 Cb -0.12 -4.01 -0.12 0.00 1.34 0.00 0.00 72.50 69.59 2wpa s THR 158 CO 0.20 -0.38 2.47 -1.22 -0.54 0.00 0.00 174.62 175.15 2wpa n TYR 159 N 7.71 1.14 -0.55 3.99 4.02 -1.26 -4.75 117.16 127.45 2wpa n TYR 159 Ca 0.16 0.15 0.44 0.00 -0.01 0.00 0.00 57.90 58.64 2wpa n TYR 159 Cb 0.46 -2.48 0.68 0.00 -0.02 0.00 0.00 39.34 37.97 2wpa n TYR 159 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2wpa n THR 160 N 7.89 0.00 -3.24 -0.72 -2.24 -1.26 -0.50 114.28 114.21 2wpa n THR 160 Ca 0.46 1.32 -0.27 0.00 -2.27 0.00 0.00 64.05 63.29 2wpa n THR 160 Cb 0.40 -2.24 -0.06 0.00 -2.10 0.00 0.00 70.33 66.33 2wpa n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wpa n HIS 161 N -3.61 3.78 -1.27 4.78 8.25 -1.26 -5.08 115.22 120.81 2wpa n HIS 161 Ca 0.37 -4.07 0.00 0.00 -0.26 0.00 0.00 57.72 53.76 2wpa n HIS 161 Cb 1.76 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 32.32 2wpa n HIS 161 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2wpa n GLU 162 N 0.45 -3.21 0.02 -0.41 1.02 0.34 -5.06 120.64 113.80 2wpa n GLU 162 Ca 0.30 2.40 0.00 0.00 -0.02 0.00 0.00 57.16 59.84 2wpa n GLU 162 Cb 0.40 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 2wpa n GLU 162 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wpa n VAL 163 N 0.63 0.36 -2.62 2.62 0.31 -1.26 -5.00 118.33 113.37 2wpa n VAL 163 Ca 0.00 0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 64.03 2wpa n VAL 163 Cb 0.00 -1.44 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 2wpa n VAL 163 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2wpa s VAL 164 N -2.00 4.59 0.25 2.52 1.01 -1.25 -4.87 120.40 120.65 2wpa s VAL 164 Ca 0.00 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 2wpa s VAL 164 Cb 0.00 -4.20 -0.15 0.00 0.00 0.00 0.00 36.38 32.03 2wpa s VAL 164 CO 0.00 0.15 0.96 0.41 0.00 0.00 0.00 175.10 176.62 2wpa n THR 165 N 3.88 1.77 -0.18 3.92 -1.04 -1.26 -4.71 114.28 116.66 2wpa n THR 165 Ca 0.07 -0.44 -0.05 0.00 -2.04 0.00 0.00 64.05 61.58 2wpa n THR 165 Cb 0.49 -0.80 0.04 0.00 -1.82 0.00 0.00 70.33 68.24 2wpa n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2wpa h LEU 166 N 2.10 0.52 -1.51 -4.42 5.85 -1.96 -1.99 115.31 113.91 2wpa h LEU 166 Ca -0.38 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.36 2wpa h LEU 166 Cb 1.36 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2wpa h LEU 166 CO 0.62 0.37 0.35 -0.50 -0.34 0.00 0.00 178.44 178.94 2wpa h TRP 167 N 0.64 0.62 -0.63 1.25 6.55 -1.90 -2.28 115.95 120.21 2wpa h TRP 167 Ca 0.21 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.07 2wpa h TRP 167 Cb 0.02 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.11 2wpa h TRP 167 CO -0.06 0.38 0.00 0.66 -1.05 0.00 0.00 178.44 178.37 2wpa n TYR 168 N -4.46 1.47 -3.13 0.49 4.01 -0.80 -4.59 117.16 110.15 2wpa n TYR 168 Ca 0.05 -0.62 -0.39 0.00 -0.16 0.00 0.00 57.90 56.78 2wpa n TYR 168 Cb 0.10 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 38.82 2wpa n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2wpa s ARG 169 N -1.89 4.38 0.51 -0.72 3.52 -0.86 -4.06 118.95 119.82 2wpa s ARG 169 Ca 0.50 0.88 -0.18 0.00 -0.13 0.00 0.00 55.73 56.81 2wpa s ARG 169 Cb 0.33 -3.32 -0.08 0.00 -1.56 0.00 0.00 34.95 30.33 2wpa s ARG 169 CO 0.24 0.43 1.00 0.00 -0.81 0.00 0.00 175.30 176.16 2wpa s ALA 170 N -0.47 2.95 0.45 6.12 0.00 -1.26 -4.91 121.76 124.65 2wpa s ALA 170 Ca 0.33 0.36 0.14 0.00 0.00 0.00 0.00 51.96 52.79 2wpa s ALA 170 Cb -0.20 -3.18 1.06 0.00 0.00 0.00 0.00 23.12 20.81 2wpa s ALA 170 CO 0.20 -0.30 2.03 -1.00 0.00 0.00 0.00 175.76 176.69 2wpa h PRO 171 N 1.14 0.33 -0.52 0.00 0.13 -1.96 -1.98 132.00 129.14 2wpa h PRO 171 Ca -0.48 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2wpa h PRO 171 Cb 1.20 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 2wpa h PRO 171 CO 0.60 0.22 0.26 0.93 -0.23 0.00 0.00 178.00 179.78 2wpa h GLU 172 N 0.34 0.49 -0.02 0.86 3.07 -1.93 0.18 114.58 117.57 2wpa h GLU 172 Ca 0.20 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2wpa h GLU 172 Cb 0.36 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2wpa h GLU 172 CO -0.05 0.33 -0.00 0.82 -1.40 0.00 0.00 179.01 178.71 2wpa h ILE 173 N 0.51 1.25 -1.00 3.13 2.04 -1.73 -1.12 117.51 120.58 2wpa h ILE 173 Ca 0.23 -0.75 0.13 0.00 1.00 0.00 0.00 64.86 65.47 2wpa h ILE 173 Cb 0.14 1.71 -0.09 0.00 -0.74 0.00 0.00 36.82 37.84 2wpa h ILE 173 CO -0.16 0.20 0.63 -0.07 0.00 0.00 0.00 178.15 178.75 2wpa h LEU 174 N -0.26 0.91 -0.16 1.44 3.38 -1.20 0.41 115.31 119.83 2wpa h LEU 174 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wpa h LEU 174 Cb 0.32 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2wpa h LEU 174 CO 0.00 0.47 -0.02 0.18 0.09 0.00 0.00 178.44 179.16 2wpa n LEU 175 N -4.63 0.27 -0.08 1.67 4.77 0.60 -4.87 117.00 114.73 2wpa n LEU 175 Ca 0.19 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2wpa n LEU 175 Cb 0.38 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2wpa n LEU 175 CO 0.27 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2wpa n GLY 176 N 1.14 1.13 3.72 -0.72 0.00 0.13 -1.63 105.19 108.95 2wpa n GLY 176 Ca 0.19 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2wpa n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpa h LYS 178 N -1.12 0.21 -5.17 0.00 1.57 -1.97 -3.44 116.57 106.65 2wpa h LYS 178 Ca -0.45 -0.31 -0.41 0.00 -1.87 0.00 0.00 60.65 57.61 2wpa h LYS 178 Cb 1.27 0.11 -0.23 0.00 0.08 0.00 0.00 32.23 33.45 2wpa h LYS 178 CO 0.47 1.11 -0.78 0.71 -0.57 0.00 0.00 179.45 180.39 2wpa s TYR 179 N -2.82 1.11 0.50 -1.35 2.02 -1.26 -1.55 117.35 114.00 2wpa s TYR 179 Ca -0.03 -0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 56.08 2wpa s TYR 179 Cb 0.08 -0.65 -0.07 0.00 -0.40 0.00 0.00 41.96 40.92 2wpa s TYR 179 CO 0.86 0.02 1.09 0.71 -1.57 0.00 0.00 175.55 176.66 2wpa s TYR 180 N -1.01 2.87 0.24 2.71 1.51 -0.81 -4.90 117.35 117.96 2wpa s TYR 180 Ca -0.01 1.56 0.02 0.00 -1.01 0.00 0.00 57.07 57.63 2wpa s TYR 180 Cb -0.08 -3.20 -0.01 0.00 -0.11 0.00 0.00 41.96 38.56 2wpa s TYR 180 CO 0.01 -1.20 0.07 -1.13 -1.11 0.00 0.00 175.55 172.19 2wpa n SER 181 N -0.97 1.39 0.22 2.29 3.41 -1.26 -4.58 113.62 114.11 2wpa n SER 181 Ca 0.10 -2.22 0.07 0.00 -0.26 0.00 0.00 58.87 56.56 2wpa n SER 181 Cb 0.51 0.51 0.49 0.00 -0.26 0.00 0.00 64.21 65.46 2wpa n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2wpa h THR 182 N 1.34 0.88 -0.63 6.66 1.35 -1.97 -3.20 112.91 117.34 2wpa h THR 182 Ca -0.19 -1.05 0.14 0.00 -0.55 0.00 0.00 66.41 64.77 2wpa h THR 182 Cb 0.68 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 68.69 2wpa h THR 182 CO 0.30 0.26 0.43 0.00 -0.25 0.00 0.00 175.52 176.27 2wpa h ALA 183 N 1.73 2.27 0.00 6.62 0.00 -1.93 -1.68 119.26 126.27 2wpa h ALA 183 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wpa h ALA 183 Cb 0.60 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wpa h ALA 183 CO 0.04 -0.44 -0.16 -0.39 0.00 0.00 0.00 179.25 178.29 2wpa h VAL 184 N 0.23 0.39 -0.12 0.00 -1.51 -1.96 -1.22 116.25 112.06 2wpa h VAL 184 Ca 0.30 -0.98 -0.19 0.00 -1.23 0.00 0.00 66.70 64.60 2wpa h VAL 184 Cb 0.87 1.73 -0.00 0.00 -2.13 0.00 0.00 31.29 31.76 2wpa h VAL 184 CO -0.06 0.16 -0.69 0.44 -1.23 0.00 0.00 177.57 176.19 2wpa h ASP 185 N 0.00 0.61 -0.20 4.19 3.32 -1.52 -2.75 116.42 120.08 2wpa h ASP 185 Ca -0.00 -0.38 -0.16 0.00 0.02 0.00 0.00 57.03 56.51 2wpa h ASP 185 Cb 0.72 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2wpa h ASP 185 CO 0.02 1.12 -0.44 0.40 -1.72 0.00 0.00 179.24 178.62 2wpa h ILE 186 N 0.37 1.29 -0.14 0.35 1.08 -1.37 -1.94 117.51 117.14 2wpa h ILE 186 Ca -0.02 -1.63 0.02 0.00 -0.39 0.00 0.00 64.86 62.84 2wpa h ILE 186 Cb 1.27 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 36.53 2wpa h ILE 186 CO 0.13 0.53 0.00 -0.25 -0.69 0.00 0.00 178.15 177.87 2wpa h TRP 187 N 0.60 0.00 -0.73 1.37 2.91 -1.29 0.15 115.95 118.97 2wpa h TRP 187 Ca 0.04 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.07 2wpa h TRP 187 Cb 1.00 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.64 2wpa h TRP 187 CO 0.05 -0.01 0.47 0.77 -1.03 0.00 0.00 178.44 178.68 2wpa h SER 188 N 0.05 0.85 -0.15 2.65 0.02 -1.36 -1.39 113.55 114.21 2wpa h SER 188 Ca 0.07 -0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 60.77 2wpa h SER 188 Cb 0.08 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.41 2wpa h SER 188 CO -0.11 0.63 -0.74 0.25 -1.14 0.00 0.00 176.83 175.73 2wpa h LEU 189 N 0.99 0.91 -0.50 5.07 5.85 -0.91 -1.97 115.31 124.76 2wpa h LEU 189 Ca 0.27 -0.63 0.08 0.00 0.84 0.00 0.00 57.88 58.43 2wpa h LEU 189 Cb -0.09 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.61 2wpa h LEU 189 CO -0.05 1.39 0.14 1.23 -0.34 0.00 0.00 178.44 180.81 2wpa h GLY 190 N 0.49 0.64 1.33 3.75 0.00 -0.29 -0.57 103.07 108.42 2wpa h GLY 190 Ca -0.05 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2wpa h GLY 190 CO 0.15 -0.03 0.45 0.00 0.00 0.00 0.00 176.54 177.11 2wpa h ILE 192 N 0.92 1.06 0.53 0.00 2.04 -0.90 -1.41 117.51 119.75 2wpa h ILE 192 Ca 0.25 -1.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 2wpa h ILE 192 Cb -0.10 2.03 0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2wpa h ILE 192 CO -0.05 0.45 -0.25 0.15 0.00 0.00 0.00 178.15 178.44 2wpa h PHE 193 N 0.00 -0.66 -0.74 1.37 3.57 0.50 -1.88 116.94 119.11 2wpa h PHE 193 Ca -0.00 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.65 2wpa h PHE 193 Cb 1.00 0.22 -0.13 0.00 2.79 0.00 0.00 35.95 39.83 2wpa h PHE 193 CO 0.00 -0.41 0.03 0.00 -2.23 0.00 0.00 178.31 175.70 2wpa h ALA 194 N -1.47 0.80 -0.13 2.41 0.00 -1.28 -0.93 119.26 118.65 2wpa h ALA 194 Ca -0.07 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2wpa h ALA 194 Cb 0.55 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2wpa h ALA 194 CO 0.12 -0.41 -0.04 1.49 0.00 0.00 0.00 179.25 180.41 2wpa h GLU 195 N 0.13 0.19 -0.36 0.00 4.81 -1.20 0.20 114.58 118.35 2wpa h GLU 195 Ca 0.41 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.45 2wpa h GLU 195 Cb 0.71 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2wpa h GLU 195 CO -0.63 0.25 -0.38 0.52 -0.73 0.00 0.00 179.01 178.04 2wpa h MET 196 N 0.19 0.90 -0.06 1.92 2.86 -0.32 -2.05 114.93 118.37 2wpa h MET 196 Ca 0.04 -0.48 -0.03 0.00 -2.06 0.00 0.00 59.70 57.17 2wpa h MET 196 Cb 0.20 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2wpa h MET 196 CO 0.01 1.13 -0.08 0.28 1.06 0.00 0.00 176.91 179.30 2wpa h VAL 197 N 0.70 1.40 -0.02 -2.22 2.07 -0.85 -3.34 116.25 113.99 2wpa h VAL 197 Ca 0.06 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2wpa h VAL 197 Cb 0.97 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2wpa h VAL 197 CO 0.09 0.36 -0.12 0.35 0.02 0.00 0.00 177.57 178.27 2wpa n THR 198 N -4.70 0.00 -0.43 2.57 -2.24 -0.04 -4.92 114.28 104.53 2wpa n THR 198 Ca -0.08 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2wpa n THR 198 Cb 0.32 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 2wpa n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wpa n ARG 199 N 0.55 0.00 -5.05 -0.78 3.00 -0.77 -4.94 116.66 108.67 2wpa n ARG 199 Ca 0.14 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.66 2wpa n ARG 199 Cb 0.48 -3.65 -0.15 0.00 0.00 0.00 0.00 32.46 29.15 2wpa n ARG 199 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2wpa s ARG 200 N -0.45 2.52 0.36 5.56 0.52 -1.25 -5.01 118.95 121.20 2wpa s ARG 200 Ca 0.00 -0.79 -0.25 0.00 -0.52 0.00 0.00 55.73 54.17 2wpa s ARG 200 Cb 0.00 -2.29 -0.13 0.00 0.52 0.00 0.00 34.95 33.05 2wpa s ARG 200 CO 0.00 0.52 0.67 0.00 0.02 0.00 0.00 175.30 176.50 2wpa n ALA 201 N 2.60 -1.34 0.09 2.13 0.00 -1.26 -4.17 120.51 118.56 2wpa n ALA 201 Ca -0.17 0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.29 2wpa n ALA 201 Cb 0.52 -1.82 -0.15 0.00 0.00 0.00 0.00 19.45 18.00 2wpa n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wpa h LEU 202 N 1.13 0.67 -6.01 0.00 6.46 -1.93 -3.41 115.31 112.23 2wpa h LEU 202 Ca -0.38 -0.93 -0.56 0.00 -0.12 0.00 0.00 57.88 55.89 2wpa h LEU 202 Cb 1.39 -0.22 -0.40 0.00 -0.73 0.00 0.00 40.66 40.70 2wpa h LEU 202 CO 0.55 1.73 -1.01 0.49 -0.62 0.00 0.00 178.44 179.58 2wpa n PHE 203 N -3.70 0.59 -1.10 1.25 3.72 -1.26 -5.00 117.46 111.95 2wpa n PHE 203 Ca -0.22 -3.72 -0.33 0.00 -0.05 0.00 0.00 57.45 53.14 2wpa n PHE 203 Cb 1.06 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 39.17 2wpa n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2wpa n PRO 204 N 1.13 2.44 -1.15 -1.08 -0.04 -1.26 -4.49 135.00 130.54 2wpa n PRO 204 Ca 0.23 -1.87 -0.31 0.00 -0.04 0.00 0.00 63.50 61.51 2wpa n PRO 204 Cb 0.52 -2.75 0.11 0.00 -0.04 0.00 0.00 33.50 31.33 2wpa n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2wpa s GLY 205 N 3.44 1.74 -0.12 0.55 0.00 -1.26 -4.97 107.32 106.69 2wpa s GLY 205 Ca 0.51 0.39 0.20 0.00 0.00 0.00 0.00 44.72 45.83 2wpa s GLY 205 CO -0.02 0.76 0.26 1.22 0.00 0.00 0.00 173.10 175.33 2wpa n ASP 206 N -3.61 0.00 -3.84 1.64 8.00 -1.26 -4.86 116.55 112.62 2wpa n ASP 206 Ca 0.10 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.49 2wpa n ASP 206 Cb 0.53 1.46 -0.06 0.00 -0.02 0.00 0.00 41.12 43.03 2wpa n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wpa s SER 207 N -5.04 0.16 0.21 -2.24 1.04 -1.26 -5.00 113.70 101.57 2wpa s SER 207 Ca -0.09 -1.12 -0.09 0.00 0.48 0.00 0.00 55.95 55.12 2wpa s SER 207 Cb 0.10 0.58 0.27 0.00 0.10 0.00 0.00 66.02 67.07 2wpa s SER 207 CO 0.87 -1.14 1.76 -0.33 0.98 0.00 0.00 173.24 175.37 2wpa h GLU 208 N 2.27 0.47 -0.28 4.02 5.08 -1.99 0.49 114.58 124.65 2wpa h GLU 208 Ca -0.28 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 57.87 2wpa h GLU 208 Cb 1.25 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2wpa h GLU 208 CO 0.39 0.31 -0.53 0.97 -1.00 0.00 0.00 179.01 179.15 2wpa h ILE 209 N 0.49 1.28 -0.33 3.13 6.09 -1.96 -1.60 117.51 124.61 2wpa h ILE 209 Ca 0.31 -1.73 -0.09 0.00 -1.37 0.00 0.00 64.86 61.98 2wpa h ILE 209 Cb 0.33 1.63 -0.02 0.00 0.47 0.00 0.00 36.82 39.24 2wpa h ILE 209 CO -0.27 0.56 -0.17 -0.78 -3.07 0.00 0.00 178.15 174.42 2wpa h ASP 210 N 0.63 0.60 -0.07 2.19 3.58 -1.80 -2.64 116.42 118.91 2wpa h ASP 210 Ca 0.02 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2wpa h ASP 210 Cb 1.13 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 2wpa h ASP 210 CO 0.12 0.78 0.05 -0.61 -2.88 0.00 0.00 179.24 176.69 2wpa h GLN 211 N 0.54 0.10 -0.77 0.28 5.75 0.20 -1.39 115.11 119.82 2wpa h GLN 211 Ca 0.09 -0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.70 2wpa h GLN 211 Cb 0.60 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 29.05 2wpa h GLN 211 CO 0.04 0.09 0.39 1.25 -2.65 0.00 0.00 178.83 177.94 2wpa h LEU 212 N 0.08 0.48 -0.29 -2.39 6.46 -1.13 -2.63 115.31 115.89 2wpa h LEU 212 Ca 0.03 0.07 -0.19 0.00 -0.12 0.00 0.00 57.88 57.67 2wpa h LEU 212 Cb 0.01 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2wpa h LEU 212 CO -0.01 0.25 -0.87 -0.26 -0.62 0.00 0.00 178.44 176.93 2wpa h PHE 213 N 0.61 0.27 -0.15 1.25 -1.00 -1.13 -1.34 116.94 115.45 2wpa h PHE 213 Ca 0.40 -0.15 -0.03 0.00 2.81 0.00 0.00 57.97 61.00 2wpa h PHE 213 Cb 0.48 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 2wpa h PHE 213 CO -0.11 0.96 -0.04 0.00 -1.61 0.00 0.00 178.31 177.52 2wpa h ARG 214 N 0.10 0.21 -0.03 1.51 3.08 -0.91 0.38 114.38 118.72 2wpa h ARG 214 Ca -0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2wpa h ARG 214 Cb 1.49 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.51 2wpa h ARG 214 CO 0.13 0.27 -0.07 0.82 -1.07 0.00 0.00 179.97 180.05 2wpa h ILE 215 N 0.21 1.46 -0.65 2.04 2.04 -1.18 -3.02 117.51 118.42 2wpa h ILE 215 Ca 0.05 -1.46 0.09 0.00 1.00 0.00 0.00 64.86 64.54 2wpa h ILE 215 Cb 0.21 2.37 -0.07 0.00 -0.74 0.00 0.00 36.82 38.59 2wpa h ILE 215 CO 0.01 0.39 0.28 -0.26 0.00 0.00 0.00 178.15 178.57 2wpa h PHE 216 N -0.47 0.50 0.00 1.37 -1.00 -0.64 0.19 116.94 116.89 2wpa h PHE 216 Ca -0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2wpa h PHE 216 Cb 0.67 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.11 2wpa h PHE 216 CO 0.13 0.16 0.00 0.00 -1.61 0.00 0.00 178.31 176.99 2wpa h ARG 217 N 0.49 0.00 0.00 1.51 3.08 -0.28 0.30 114.38 119.48 2wpa h ARG 217 Ca 0.32 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 60.00 2wpa h ARG 217 Cb 0.37 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 2wpa h ARG 217 CO -0.29 0.00 -2.33 2.41 -1.07 0.00 0.00 179.97 178.69 2wpa n THR 218 N -2.46 1.32 0.93 2.04 -1.04 -0.69 -4.66 114.28 109.72 2wpa n THR 218 Ca 0.01 -0.43 0.10 0.00 -2.04 0.00 0.00 64.05 61.69 2wpa n THR 218 Cb 0.21 -1.54 -0.03 0.00 -1.82 0.00 0.00 70.33 67.15 2wpa n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wpa n LEU 219 N -3.58 1.69 0.00 -4.42 4.77 0.60 -1.63 117.00 114.43 2wpa n LEU 219 Ca -0.44 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 2wpa n LEU 219 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 2wpa n LEU 219 CO 0.14 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2wpa n GLY 220 N 1.38 0.67 3.68 -0.72 0.00 0.11 -4.35 105.19 105.96 2wpa n GLY 220 Ca 0.07 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 2wpa n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wpa s THR 221 N -2.78 4.47 0.33 2.61 2.01 -1.15 -4.50 115.64 116.64 2wpa s THR 221 Ca 0.00 1.77 -0.28 0.00 0.31 0.00 0.00 61.69 63.49 2wpa s THR 221 Cb 0.00 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 2wpa s THR 221 CO 0.00 -0.04 1.23 -2.16 -0.69 0.00 0.00 174.62 172.96 2wpa s PRO 222 N 2.47 4.36 0.43 4.92 0.04 -1.26 -4.82 135.00 141.13 2wpa s PRO 222 Ca 0.52 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.63 2wpa s PRO 222 Cb -0.21 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 2wpa s PRO 222 CO 0.18 -0.12 0.08 0.16 0.04 0.00 0.00 177.00 177.34 2wpa s ASP 223 N -0.71 3.16 0.65 6.66 1.47 -1.26 -4.96 116.67 121.67 2wpa s ASP 223 Ca 0.50 -1.63 0.43 0.00 1.18 0.00 0.00 52.55 53.03 2wpa s ASP 223 Cb -0.36 0.41 2.30 0.00 -0.34 0.00 0.00 42.92 44.93 2wpa s ASP 223 CO 0.47 -0.86 2.33 -0.33 0.68 0.00 0.00 175.17 177.46 2wpa h GLU 224 N 1.70 0.00 0.00 2.11 4.39 -1.97 0.10 114.58 120.91 2wpa h GLU 224 Ca -0.39 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 2wpa h GLU 224 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2wpa h GLU 224 CO 0.64 0.00 -0.00 0.28 -1.16 0.00 0.00 179.01 178.77 2wpa h VAL 225 N 0.00 1.67 -0.04 3.13 2.07 -1.99 -3.07 116.25 118.02 2wpa h VAL 225 Ca -0.00 -2.07 -0.08 0.00 0.82 0.00 0.00 66.70 65.37 2wpa h VAL 225 Cb 0.07 3.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2wpa h VAL 225 CO 0.00 0.53 -0.35 0.58 0.02 0.00 0.00 177.57 178.35 2wpa h VAL 226 N -0.90 1.27 -1.32 2.57 2.07 -1.70 -3.40 116.25 114.84 2wpa h VAL 226 Ca -0.00 -1.27 -0.16 0.00 0.82 0.00 0.00 66.70 66.09 2wpa h VAL 226 Cb 0.87 1.63 -0.23 0.00 -1.52 0.00 0.00 31.29 32.04 2wpa h VAL 226 CO 0.00 0.37 -0.53 0.86 0.02 0.00 0.00 177.57 178.29 2wpa s TRP 227 N -4.24 -1.25 0.14 1.57 -0.00 -0.08 -4.46 118.94 110.62 2wpa s TRP 227 Ca -0.03 -0.08 -0.31 0.00 -0.00 0.00 0.00 56.10 55.67 2wpa s TRP 227 Cb 0.14 0.07 -0.11 0.00 -0.00 0.00 0.00 33.47 33.58 2wpa s TRP 227 CO 0.74 -1.11 1.83 -2.30 -0.00 0.00 0.00 176.95 176.11 2wpa n PRO 228 N 4.39 2.80 0.00 5.86 -0.02 -1.16 -2.58 135.00 144.29 2wpa n PRO 228 Ca 0.11 1.02 0.00 0.00 -2.02 0.00 0.00 63.50 62.61 2wpa n PRO 228 Cb 0.53 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 2wpa n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wpa n GLY 229 N 4.20 1.97 0.31 -1.23 0.00 -1.26 -4.99 105.19 104.19 2wpa n GLY 229 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2wpa n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2wpa h VAL 230 N 0.00 0.20 0.00 1.61 -1.51 -1.84 0.18 116.25 114.88 2wpa h VAL 230 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2wpa h VAL 230 Cb 0.00 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.36 2wpa h VAL 230 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.69 2wpa n THR 231 N -5.49 0.46 0.59 7.19 -2.24 -1.26 -0.54 114.28 112.99 2wpa n THR 231 Ca 0.09 0.11 0.08 0.00 -2.27 0.00 0.00 64.05 62.07 2wpa n THR 231 Cb 0.39 -0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 67.61 2wpa n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wpa n SER 232 N -1.20 0.85 -4.75 3.42 7.64 0.61 -4.95 113.62 115.25 2wpa n SER 232 Ca 0.07 -0.67 -0.37 0.00 1.01 0.00 0.00 58.87 58.92 2wpa n SER 232 Cb 0.09 1.20 0.04 0.00 -1.01 0.00 0.00 64.21 64.54 2wpa n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2wpa s MET 233 N -2.74 2.87 0.24 1.43 -1.94 0.30 -4.90 119.30 114.55 2wpa s MET 233 Ca 0.03 1.96 -0.05 0.00 -1.71 0.00 0.00 55.69 55.91 2wpa s MET 233 Cb 0.12 -1.96 0.38 0.00 2.01 0.00 0.00 34.83 35.38 2wpa s MET 233 CO 0.70 -1.32 1.79 -1.35 -0.01 0.00 0.00 175.02 174.83 2wpa h PRO 234 N 0.88 0.64 -0.75 2.03 0.11 -1.80 -2.19 132.00 130.91 2wpa h PRO 234 Ca -0.51 -0.04 -0.43 0.00 0.11 0.00 0.00 66.00 65.14 2wpa h PRO 234 Cb 1.31 -0.14 -0.24 0.00 0.11 0.00 0.00 31.00 32.03 2wpa h PRO 234 CO 0.55 0.42 0.33 -0.25 -0.21 0.00 0.00 178.00 178.84 2wpa n ASP 235 N -4.83 3.95 -4.88 -2.05 8.00 -0.65 -4.93 116.55 111.15 2wpa n ASP 235 Ca 0.12 -3.71 -0.34 0.00 0.71 0.00 0.00 54.79 51.57 2wpa n ASP 235 Cb 0.29 -0.76 -0.05 0.00 -0.02 0.00 0.00 41.12 40.58 2wpa n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2wpa s TYR 236 N -3.38 3.56 -0.05 1.24 6.14 -0.82 -4.82 117.35 119.20 2wpa s TYR 236 Ca 0.53 0.61 0.02 0.00 0.64 0.00 0.00 57.07 58.87 2wpa s TYR 236 Cb 0.45 -2.02 0.01 0.00 0.42 0.00 0.00 41.96 40.82 2wpa s TYR 236 CO 0.05 0.56 -0.11 0.15 0.64 0.00 0.00 175.55 176.83 2wpa s LYS 237 N -2.00 1.47 0.32 4.97 1.02 -1.26 -4.94 119.74 119.32 2wpa s LYS 237 Ca 0.32 -0.38 0.21 0.00 0.02 0.00 0.00 55.97 56.14 2wpa s LYS 237 Cb -0.13 -1.26 1.14 0.00 -0.52 0.00 0.00 37.83 37.06 2wpa s LYS 237 CO 0.19 0.05 1.64 -0.35 -0.92 0.00 0.00 175.35 175.96 2wpa n PRO 238 N 3.68 0.14 0.13 -1.68 -0.04 -1.26 -1.74 135.00 134.22 2wpa n PRO 238 Ca -0.22 0.63 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 2wpa n PRO 238 Cb 0.52 -1.96 0.44 0.00 -0.04 0.00 0.00 33.50 32.45 2wpa n PRO 238 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wpa h SER 239 N 0.00 0.00 -1.52 3.54 4.64 -2.04 -3.46 113.55 114.71 2wpa h SER 239 Ca 0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 2wpa h SER 239 Cb 0.03 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.16 2wpa h SER 239 CO 0.00 0.00 0.45 0.49 -0.87 0.00 0.00 176.83 176.90 2wpa n PHE 240 N -2.32 1.43 -1.84 4.77 3.72 -0.71 -4.83 117.46 117.68 2wpa n PHE 240 Ca 0.04 0.72 -0.42 0.00 -0.05 0.00 0.00 57.45 57.74 2wpa n PHE 240 Cb 0.36 -2.30 -0.02 0.00 -0.94 0.00 0.00 39.48 36.58 2wpa n PHE 240 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2wpa s PRO 241 N 0.86 4.17 -0.41 -1.08 0.04 -1.26 -4.93 135.00 132.39 2wpa s PRO 241 Ca 0.88 2.49 -0.29 0.00 0.04 0.00 0.00 61.00 64.13 2wpa s PRO 241 Cb -1.04 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 30.43 2wpa s PRO 241 CO 0.52 -0.63 1.42 0.21 0.04 0.00 0.00 177.00 178.57 2wpa s LYS 242 N 0.33 3.58 0.50 4.56 2.20 -1.26 -4.84 119.74 124.82 2wpa s LYS 242 Ca 0.67 0.96 0.08 0.00 -0.36 0.00 0.00 55.97 57.32 2wpa s LYS 242 Cb -0.46 -4.03 0.05 0.00 -1.51 0.00 0.00 37.83 31.88 2wpa s LYS 242 CO 0.39 -1.56 0.69 -1.58 -0.36 0.00 0.00 175.35 172.93 2wpa s TRP 243 N 5.44 2.24 0.11 4.03 0.51 -1.26 -4.94 118.94 125.07 2wpa s TRP 243 Ca 0.62 -0.49 0.09 0.00 -2.12 0.00 0.00 56.10 54.19 2wpa s TRP 243 Cb -0.14 -2.37 -0.04 0.00 -0.81 0.00 0.00 33.47 30.11 2wpa s TRP 243 CO 0.32 -0.79 -0.16 0.00 -0.51 0.00 0.00 176.95 175.82 2wpa s ALA 244 N -2.53 2.74 -0.02 0.98 0.00 -1.26 -2.91 121.76 118.76 2wpa s ALA 244 Ca 0.58 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 2wpa s ALA 244 Cb -0.08 -0.71 -0.07 0.00 0.00 0.00 0.00 23.12 22.27 2wpa s ALA 244 CO 0.36 0.60 1.69 0.50 0.00 0.00 0.00 175.76 178.91 2wpa s ARG 245 N -2.15 4.18 0.67 0.00 6.06 -1.26 -3.72 118.95 122.73 2wpa s ARG 245 Ca 0.19 2.27 -0.14 0.00 -2.50 0.00 0.00 55.73 55.55 2wpa s ARG 245 Cb -0.11 -3.92 0.01 0.00 0.06 0.00 0.00 34.95 30.99 2wpa s ARG 245 CO 0.11 -0.83 1.09 -0.65 -2.50 0.00 0.00 175.30 172.52 2wpa s GLN 246 N 3.77 2.80 -0.00 5.12 -1.52 -0.64 -4.92 119.66 124.26 2wpa s GLN 246 Ca 0.75 1.26 -0.29 0.00 -1.95 0.00 0.00 55.36 55.14 2wpa s GLN 246 Cb -0.36 -1.96 -0.03 0.00 -0.22 0.00 0.00 33.01 30.44 2wpa s GLN 246 CO 0.32 -1.23 0.93 0.34 -0.25 0.00 0.00 175.29 175.39 2wpa s ASP 247 N -2.92 7.31 0.11 5.90 2.15 -1.26 -4.92 116.67 123.03 2wpa s ASP 247 Ca 0.64 1.58 0.19 0.00 0.43 0.00 0.00 52.55 55.40 2wpa s ASP 247 Cb -0.18 -2.54 0.80 0.00 -0.30 0.00 0.00 42.92 40.69 2wpa s ASP 247 CO 0.45 -0.22 1.60 0.49 -0.17 0.00 0.00 175.17 177.32 2wpa n PHE 248 N 3.79 0.34 0.04 -5.34 3.01 -1.26 -0.75 117.46 117.30 2wpa n PHE 248 Ca 0.04 0.13 -0.06 0.00 1.01 0.00 0.00 57.45 58.58 2wpa n PHE 248 Cb 0.51 -0.71 0.13 0.00 -0.01 0.00 0.00 39.48 39.40 2wpa n PHE 248 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2wpa h SER 249 N 0.00 0.43 -0.15 4.37 0.02 -1.91 -1.15 113.55 115.16 2wpa h SER 249 Ca 0.00 -0.21 -0.17 0.00 -0.84 0.00 0.00 61.79 60.57 2wpa h SER 249 Cb 0.33 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.75 2wpa h SER 249 CO 0.00 0.85 -0.58 0.11 -1.14 0.00 0.00 176.83 176.07 2wpa h LYS 250 N 0.32 0.65 0.21 3.45 1.57 -1.33 -3.04 116.57 118.40 2wpa h LYS 250 Ca 0.02 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 2wpa h LYS 250 Cb 0.98 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2wpa h LYS 250 CO 0.08 1.13 -0.10 0.28 -0.57 0.00 0.00 179.45 180.27 2wpa h VAL 251 N 0.32 0.85 -2.92 0.50 2.07 -1.31 -3.38 116.25 112.39 2wpa h VAL 251 Ca -0.03 -0.78 -0.61 0.00 0.82 0.00 0.00 66.70 66.09 2wpa h VAL 251 Cb 1.22 1.28 -0.40 0.00 -1.52 0.00 0.00 31.29 31.87 2wpa h VAL 251 CO 0.12 0.16 -0.72 0.68 0.02 0.00 0.00 177.57 177.83 2wpa s VAL 252 N -4.38 1.77 0.08 2.57 -7.23 -0.45 -4.98 120.40 107.78 2wpa s VAL 252 Ca -0.14 -3.22 -0.24 0.00 -1.81 0.00 0.00 61.98 56.57 2wpa s VAL 252 Cb 0.02 -2.20 -0.16 0.00 0.56 0.00 0.00 36.38 34.60 2wpa s VAL 252 CO 0.56 -1.00 1.70 -0.65 -0.31 0.00 0.00 175.10 175.40 2wpa h PRO 253 N 6.03 -0.06 0.00 4.82 0.11 -1.72 -2.96 132.00 138.23 2wpa h PRO 253 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2wpa h PRO 253 Cb 0.86 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2wpa h PRO 253 CO 0.55 -0.02 0.00 -2.30 -0.21 0.00 0.00 178.00 176.03 2wpa n PRO 254 N -5.11 0.00 -4.16 1.05 -0.02 -1.26 -4.65 135.00 120.85 2wpa n PRO 254 Ca -0.08 0.02 -0.35 0.00 -2.02 0.00 0.00 63.50 61.07 2wpa n PRO 254 Cb 0.07 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.96 2wpa n PRO 254 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wpa s LEU 255 N -1.88 3.89 0.00 2.45 2.96 -1.12 -5.10 118.68 119.88 2wpa s LEU 255 Ca 0.00 0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 54.12 2wpa s LEU 255 Cb 0.00 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.73 2wpa s LEU 255 CO 0.00 0.36 0.24 -0.90 -1.32 0.00 0.00 176.35 174.74 2wpa n ASP 256 N 1.86 -0.14 0.12 3.68 5.75 -1.26 -4.80 116.55 121.75 2wpa n ASP 256 Ca -0.18 -1.03 -0.02 0.00 -0.01 0.00 0.00 54.79 53.56 2wpa n ASP 256 Cb 0.54 -0.19 0.22 0.00 -1.03 0.00 0.00 41.12 40.66 2wpa n ASP 256 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2wpa h GLU 257 N 0.00 0.15 0.11 0.11 4.81 -1.99 -2.21 114.58 115.56 2wpa h GLU 257 Ca -0.08 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2wpa h GLU 257 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2wpa h GLU 257 CO 0.06 0.60 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.44 2wpa h ASP 258 N 0.12 -0.13 -0.91 1.04 3.32 -1.99 -2.23 116.42 115.64 2wpa h ASP 258 Ca 0.01 -0.43 0.16 0.00 0.02 0.00 0.00 57.03 56.78 2wpa h ASP 258 Cb 0.89 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.38 2wpa h ASP 258 CO 0.07 0.43 0.50 1.23 -1.72 0.00 0.00 179.24 179.75 2wpa h GLY 259 N -0.76 1.52 1.78 2.75 0.00 -1.92 -0.08 103.07 106.36 2wpa h GLY 259 Ca -0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 2wpa h GLY 259 CO 0.03 -0.02 -0.30 3.21 0.00 0.00 0.00 176.54 179.45 2wpa h ARG 260 N 0.70 0.26 -0.06 4.80 3.08 -1.42 -1.86 114.38 119.88 2wpa h ARG 260 Ca 0.50 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 2wpa h ARG 260 Cb 0.70 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 2wpa h ARG 260 CO -0.36 0.54 -0.06 1.03 -1.07 0.00 0.00 179.97 180.05 2wpa h SER 261 N 0.23 0.15 0.57 7.04 0.87 -0.44 -2.68 113.55 119.28 2wpa h SER 261 Ca 0.03 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.07 2wpa h SER 261 Cb 0.65 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2wpa h SER 261 CO 0.05 0.61 -0.41 0.25 -0.53 0.00 0.00 176.83 176.80 2wpa h LEU 262 N -0.31 -1.06 -0.82 2.23 5.85 -1.04 -2.06 115.31 118.09 2wpa h LEU 262 Ca 0.01 0.07 0.17 0.00 0.84 0.00 0.00 57.88 58.97 2wpa h LEU 262 Cb 0.57 0.32 -0.15 0.00 0.37 0.00 0.00 40.66 41.77 2wpa h LEU 262 CO 0.01 -0.59 -0.15 0.25 -0.34 0.00 0.00 178.44 177.62 2wpa h LEU 263 N -0.93 -0.67 -0.75 2.25 5.85 -1.42 0.47 115.31 120.11 2wpa h LEU 263 Ca -0.08 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2wpa h LEU 263 Cb 0.77 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2wpa h LEU 263 CO 0.04 -0.26 0.00 0.77 -0.34 0.00 0.00 178.44 178.64 2wpa h SER 264 N 0.02 0.00 0.47 1.25 4.64 -1.29 0.14 113.55 118.78 2wpa h SER 264 Ca 0.41 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.43 2wpa h SER 264 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2wpa h SER 264 CO -0.82 0.00 -1.44 1.56 -0.87 0.00 0.00 176.83 175.26 2wpa h GLN 265 N 0.00 0.31 0.00 4.77 4.20 0.55 -2.67 115.11 122.27 2wpa h GLN 265 Ca 0.00 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 2wpa h GLN 265 Cb 0.52 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2wpa h GLN 265 CO 0.00 1.21 -0.12 0.52 -0.67 0.00 0.00 178.83 179.77 2wpa h MET 266 N 0.08 0.00 -0.37 1.46 2.86 0.27 -2.59 114.93 116.64 2wpa h MET 266 Ca -0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2wpa h MET 266 Cb 2.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.69 2wpa h MET 266 CO 0.19 0.12 0.00 1.28 1.06 0.00 0.00 176.91 179.56 2wpa n LEU 267 N -3.36 3.04 -4.61 1.22 4.77 0.36 -4.06 117.00 114.37 2wpa n LEU 267 Ca -0.01 -1.76 -0.48 0.00 -0.03 0.00 0.00 56.01 53.74 2wpa n LEU 267 Cb 0.31 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 2wpa n LEU 267 CO 0.30 0.72 0.80 1.57 -1.33 0.00 0.00 177.39 179.45 2wpa n HIS 268 N 0.90 1.55 -0.00 -1.77 -0.00 -1.01 -4.90 115.22 109.98 2wpa n HIS 268 Ca 0.14 0.61 -0.12 0.00 0.46 0.00 0.00 57.72 58.81 2wpa n HIS 268 Cb 0.47 -2.33 -0.08 0.00 -0.12 0.00 0.00 29.99 27.93 2wpa n HIS 268 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2wpa h TYR 269 N 3.62 0.08 -3.12 1.57 0.05 -1.89 -3.41 116.97 113.86 2wpa h TYR 269 Ca -0.44 -0.01 -0.57 0.00 0.05 0.00 0.00 58.73 57.77 2wpa h TYR 269 Cb 1.32 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.99 2wpa h TYR 269 CO 0.55 0.29 0.97 0.34 -1.05 0.00 0.00 178.16 179.26 2wpa s ASP 270 N -5.51 6.68 0.55 3.88 -1.08 -1.26 -4.85 116.67 115.08 2wpa s ASP 270 Ca -0.14 1.25 0.24 0.00 -0.52 0.00 0.00 52.55 53.38 2wpa s ASP 270 Cb 0.04 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.44 2wpa s ASP 270 CO 0.68 -1.06 2.08 1.55 0.52 0.00 0.00 175.17 178.94 2wpa h PRO 271 N 9.25 0.00 -0.61 4.34 0.13 -1.95 0.12 132.00 143.28 2wpa h PRO 271 Ca -0.26 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.92 2wpa h PRO 271 Cb 1.10 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 2wpa h PRO 271 CO 1.03 0.00 0.32 -0.91 -0.23 0.00 0.00 178.00 178.21 2wpa h ASN 272 N 0.00 0.47 0.73 1.44 2.35 -1.95 -3.16 115.58 115.46 2wpa h ASN 272 Ca 0.12 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2wpa h ASN 272 Cb 0.54 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2wpa h ASN 272 CO -0.00 0.31 -0.99 0.29 -1.65 0.00 0.00 177.43 175.39 2wpa n LYS 273 N -4.83 0.44 -1.67 0.81 4.76 0.22 -4.89 118.16 113.00 2wpa n LYS 273 Ca 0.07 0.05 -0.44 0.00 -2.87 0.00 0.00 58.31 55.12 2wpa n LYS 273 Cb 0.16 -1.70 -0.02 0.00 -1.84 0.00 0.00 35.03 31.63 2wpa n LYS 273 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2wpa n ARG 274 N -2.30 1.96 -1.96 1.97 0.63 -0.08 -4.85 116.66 112.02 2wpa n ARG 274 Ca 0.01 0.69 -0.34 0.00 -0.92 0.00 0.00 57.85 57.29 2wpa n ARG 274 Cb 0.49 -2.27 0.03 0.00 0.45 0.00 0.00 32.46 31.16 2wpa n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2wpa s ILE 275 N -0.64 2.99 0.52 5.15 2.07 -0.99 -5.01 121.20 125.30 2wpa s ILE 275 Ca 0.61 0.55 -0.04 0.00 -1.41 0.00 0.00 60.65 60.36 2wpa s ILE 275 Cb -0.63 -3.14 -0.01 0.00 0.13 0.00 0.00 42.46 38.81 2wpa s ILE 275 CO 0.57 -0.20 0.81 -0.94 -1.91 0.00 0.00 174.94 173.27 2wpa s SER 276 N -2.03 5.87 0.26 4.50 1.04 -1.26 -4.88 113.70 117.21 2wpa s SER 276 Ca 0.72 0.70 0.01 0.00 0.48 0.00 0.00 55.95 57.86 2wpa s SER 276 Cb -0.25 -1.86 0.36 0.00 0.10 0.00 0.00 66.02 64.37 2wpa s SER 276 CO 0.35 -0.82 1.70 0.00 0.98 0.00 0.00 173.24 175.45 2wpa h ALA 277 N 0.09 1.04 -0.47 5.32 0.00 -1.95 0.15 119.26 123.45 2wpa h ALA 277 Ca -0.46 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 53.99 2wpa h ALA 277 Cb 1.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2wpa h ALA 277 CO 0.60 0.58 -0.11 -0.22 0.00 0.00 0.00 179.25 180.10 2wpa h LYS 278 N 0.47 0.90 -0.16 0.00 3.64 -1.93 -2.97 116.57 116.52 2wpa h LYS 278 Ca 0.07 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 2wpa h LYS 278 Cb 0.70 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2wpa h LYS 278 CO 0.05 1.00 0.01 0.00 -2.27 0.00 0.00 179.45 178.24 2wpa h ALA 279 N 0.88 0.22 -0.57 5.00 0.00 -1.88 -3.12 119.26 119.79 2wpa h ALA 279 Ca 0.12 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.99 2wpa h ALA 279 Cb 0.66 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2wpa h ALA 279 CO 0.05 -0.09 0.40 0.00 0.00 0.00 0.00 179.25 179.61 2wpa h ALA 280 N 0.78 2.39 0.00 0.00 0.00 -0.66 0.63 119.26 122.40 2wpa h ALA 280 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2wpa h ALA 280 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2wpa h ALA 280 CO 0.01 -0.55 -0.22 -0.07 0.00 0.00 0.00 179.25 178.42 2wpa h LEU 281 N 0.10 0.00 0.00 0.00 3.38 -1.45 -2.76 115.31 114.59 2wpa h LEU 281 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2wpa h LEU 281 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2wpa h LEU 281 CO -0.03 0.22 -0.55 0.00 0.09 0.00 0.00 178.44 178.17 2wpa h ALA 282 N 1.78 0.74 -2.18 1.53 0.00 -0.97 -3.46 119.26 116.71 2wpa h ALA 282 Ca -0.00 -0.08 -0.60 0.00 0.00 0.00 0.00 54.91 54.23 2wpa h ALA 282 Cb 0.60 0.01 0.15 0.00 0.00 0.00 0.00 17.79 18.55 2wpa h ALA 282 CO 0.03 0.10 -0.26 1.58 0.00 0.00 0.00 179.25 180.70 2wpa n HIS 283 N -2.92 -0.10 0.08 0.00 -0.00 -1.04 -4.84 115.22 106.40 2wpa n HIS 283 Ca 0.01 0.57 0.17 0.00 -0.00 0.00 0.00 57.72 58.48 2wpa n HIS 283 Cb 0.57 -2.04 0.68 0.00 -0.00 0.00 0.00 29.99 29.20 2wpa n HIS 283 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2wpa h PRO 284 N 0.90 0.00 -1.16 1.57 0.11 -1.92 -2.16 132.00 129.34 2wpa h PRO 284 Ca -0.42 0.00 0.33 0.00 0.11 0.00 0.00 66.00 66.02 2wpa h PRO 284 Cb 1.38 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.44 2wpa h PRO 284 CO 0.52 0.00 0.82 0.35 -0.21 0.00 0.00 178.00 179.49 2wpa h PHE 285 N 0.00 0.09 -0.03 0.65 3.57 -1.88 -1.11 116.94 118.24 2wpa h PHE 285 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2wpa h PHE 285 Cb 0.73 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2wpa h PHE 285 CO 0.00 0.00 -0.08 1.19 -2.23 0.00 0.00 178.31 177.19 2wpa n PHE 286 N -4.25 0.00 0.24 0.41 3.72 -0.81 -4.44 117.46 112.32 2wpa n PHE 286 Ca 0.25 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.79 2wpa n PHE 286 Cb 1.19 0.00 0.76 0.00 -0.94 0.00 0.00 39.48 40.50 2wpa n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2wpa h GLN 287 N 3.97 0.00 -0.65 -1.08 4.15 -1.34 -2.40 115.11 117.77 2wpa h GLN 287 Ca 0.00 0.00 -0.44 0.00 0.77 0.00 0.00 58.65 58.98 2wpa h GLN 287 Cb 0.88 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 28.29 2wpa h GLN 287 CO 0.00 0.00 -0.23 -0.40 -1.93 0.00 0.00 178.83 176.27 2wpa n ASP 288 N -4.18 4.58 -4.79 -0.69 5.75 -1.26 -5.05 116.55 110.91 2wpa n ASP 288 Ca -0.01 -3.78 -0.37 0.00 -0.01 0.00 0.00 54.79 50.62 2wpa n ASP 288 Cb 0.18 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 39.64 2wpa n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wpa s VAL 289 N -4.17 4.34 0.38 2.12 0.11 -0.91 -5.07 120.40 117.20 2wpa s VAL 289 Ca 0.51 1.64 0.04 0.00 -2.93 0.00 0.00 61.98 61.24 2wpa s VAL 289 Cb 0.43 -4.00 -0.05 0.00 -1.53 0.00 0.00 36.38 31.23 2wpa s VAL 289 CO 0.01 0.24 0.06 0.42 -3.33 0.00 0.00 175.10 172.51 2wpa s THR 290 N -1.49 1.13 -0.70 5.04 -4.23 -1.26 -5.09 115.64 109.04 2wpa s THR 290 Ca 0.45 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.01 2wpa s THR 290 Cb -0.19 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.27 2wpa s THR 290 CO 0.24 0.00 0.87 1.17 -0.54 0.00 0.00 174.62 176.36 2wpa n LYS 291 N -0.84 2.86 -1.78 3.99 4.81 -1.26 -4.31 118.16 121.63 2wpa n LYS 291 Ca -0.05 -4.67 -0.36 0.00 -0.87 0.00 0.00 58.31 52.36 2wpa n LYS 291 Cb 0.66 -2.30 0.06 0.00 0.02 0.00 0.00 35.03 33.48 2wpa n LYS 291 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2wpa s PRO 292 N -2.58 2.62 -0.12 1.64 0.02 -1.26 -4.92 135.00 130.40 2wpa s PRO 292 Ca 0.39 1.91 -0.11 0.00 0.02 0.00 0.00 61.00 63.20 2wpa s PRO 292 Cb 0.14 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.74 2wpa s PRO 292 CO 0.00 -1.50 0.25 0.14 -0.33 0.00 0.00 177.00 175.56 2wpa s VAL 293 N -1.60 5.32 0.72 3.83 -7.23 -1.26 -4.40 120.40 115.79 2wpa s VAL 293 Ca 0.79 0.46 -0.11 0.00 -1.81 0.00 0.00 61.98 61.31 2wpa s VAL 293 Cb -0.33 -3.55 0.03 0.00 0.56 0.00 0.00 36.38 33.08 2wpa s VAL 293 CO 0.38 0.51 1.07 -2.16 -0.31 0.00 0.00 175.10 174.59 2wpa s PRO 294 N -0.35 2.68 -0.58 4.82 0.04 -1.26 -4.96 135.00 135.40 2wpa s PRO 294 Ca 0.16 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.02 2wpa s PRO 294 Cb -0.13 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.56 2wpa s PRO 294 CO 0.05 -1.29 0.64 -1.58 0.04 0.00 0.00 177.00 174.86 2wpa s HIS 295 N -3.01 3.08 -0.02 0.56 2.46 -1.26 -4.93 115.29 112.16 2wpa s HIS 295 Ca 0.59 -1.06 -0.21 0.00 0.47 0.00 0.00 55.06 54.85 2wpa s HIS 295 Cb -0.15 -3.94 -0.05 0.00 -0.13 0.00 0.00 32.58 28.31 2wpa s HIS 295 CO 0.55 -1.21 0.61 -0.51 -2.47 0.00 0.00 174.74 171.71 2wpa s LEU 296 N 2.34 4.39 -0.38 8.88 1.43 -1.26 -5.04 118.68 129.04 2wpa s LEU 296 Ca 0.09 1.14 -0.21 0.00 -1.03 0.00 0.00 54.13 54.12 2wpa s LEU 296 Cb -0.26 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 43.03 2wpa s LEU 296 CO 0.05 0.05 0.66 -0.13 0.23 0.00 0.00 176.35 177.21 2wpa s ARG 297 N 0.07 3.59 0.00 1.70 0.52 -1.26 -5.18 118.95 118.39 2wpa s ARG 297 Ca 0.32 -0.02 0.30 0.00 -0.52 0.00 0.00 55.73 55.82 2wpa s ARG 297 Cb -0.18 -3.84 1.82 0.00 0.52 0.00 0.00 34.95 33.26 2wpa s ARG 297 CO 0.17 -0.82 2.14 1.28 0.02 0.00 0.00 175.30 178.09