#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpa h LEU -2 N 0.00 0.00 -0.73 2.45 4.07 -2.00 -3.03 115.31 116.07 2wpa h LEU -2 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wpa h LEU -2 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 2wpa h LEU -2 CO 0.00 0.00 0.46 0.58 -1.08 0.00 0.00 178.44 178.40 2wpa h VAL -1 N 0.00 1.20 -0.40 1.22 2.07 -2.05 -3.02 116.25 115.26 2wpa h VAL -1 Ca 0.00 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2wpa h VAL -1 Cb 0.99 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2wpa h VAL -1 CO 0.00 0.20 0.18 0.44 0.02 0.00 0.00 177.57 178.41 2wpa h ASP 0 N 0.99 0.54 0.36 0.57 3.32 -1.98 -2.96 116.42 117.26 2wpa h ASP 0 Ca 0.26 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2wpa h ASP 0 Cb -0.07 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 2wpa h ASP 0 CO -0.05 0.53 -0.16 0.24 -1.72 0.00 0.00 179.24 178.08 2wpa h MET 1 N 0.51 0.00 0.00 3.56 2.86 -1.51 -2.28 114.93 118.08 2wpa h MET 1 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2wpa h MET 1 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2wpa h MET 1 CO -0.01 0.16 -0.19 -1.91 1.06 0.00 0.00 176.91 176.02 2wpa n GLU 2 N -3.80 0.13 0.00 1.72 4.07 -1.12 -2.67 120.64 118.96 2wpa n GLU 2 Ca -0.02 0.08 0.15 0.00 -0.06 0.00 0.00 57.16 57.31 2wpa n GLU 2 Cb 0.26 -1.62 0.70 0.00 -0.06 0.00 0.00 31.44 30.72 2wpa n GLU 2 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2wpa n ASN 3 N -1.83 0.85 -4.65 4.31 3.02 -0.86 -4.81 115.26 111.30 2wpa n ASN 3 Ca 0.06 -1.26 -0.35 0.00 -0.03 0.00 0.00 54.58 53.00 2wpa n ASN 3 Cb 0.38 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.45 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 -2.02 3.13 -0.26 3.10 0.08 -1.09 -0.96 117.98 119.96 2wpa s PHE 4 Ca 0.42 0.12 -0.05 0.00 0.12 0.00 0.00 56.93 57.54 2wpa s PHE 4 Cb 0.21 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.86 2wpa s PHE 4 CO 0.36 0.40 0.01 -1.14 -0.10 0.00 0.00 175.22 174.74 2wpa s GLN 5 N -0.71 3.21 0.08 0.44 2.00 0.34 -4.93 119.66 120.07 2wpa s GLN 5 Ca 0.11 -0.76 -0.31 0.00 -2.00 0.00 0.00 55.36 52.41 2wpa s GLN 5 Cb -0.12 -3.17 -0.06 0.00 0.80 0.00 0.00 33.01 30.46 2wpa s GLN 5 CO 0.02 -0.32 1.27 0.15 -0.50 0.00 0.00 175.29 175.91 2wpa s LYS 6 N 1.47 4.38 -0.18 1.67 1.02 -1.26 -1.02 119.74 125.82 2wpa s LYS 6 Ca 0.04 1.88 -0.15 0.00 0.02 0.00 0.00 55.97 57.76 2wpa s LYS 6 Cb -0.16 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 33.75 2wpa s LYS 6 CO -0.01 -0.34 -0.22 0.28 -0.92 0.00 0.00 175.35 174.15 2wpa n VAL 7 N 3.98 1.48 -3.48 3.17 0.31 -0.18 -4.94 118.33 118.67 2wpa n VAL 7 Ca 0.10 0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.40 2wpa n VAL 7 Cb 0.45 -2.27 -0.03 0.00 -0.91 0.00 0.00 33.84 31.08 2wpa n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2wpa s GLU 8 N -2.54 1.01 -0.05 5.55 -1.05 -1.18 -5.02 118.70 115.42 2wpa s GLU 8 Ca -0.25 -0.29 -0.29 0.00 -0.15 0.00 0.00 54.97 53.98 2wpa s GLU 8 Cb 0.05 0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 34.18 2wpa s GLU 8 CO 0.38 -0.43 0.97 0.21 0.95 0.00 0.00 175.26 177.35 2wpa s LYS 9 N -3.09 4.49 0.00 -4.83 2.20 -1.26 -1.20 119.74 116.04 2wpa s LYS 9 Ca 0.02 1.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 2wpa s LYS 9 Cb -0.01 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2wpa s LYS 9 CO -0.08 -0.17 0.51 0.44 -0.36 0.00 0.00 175.35 175.69 2wpa n ILE 10 N 4.20 0.02 -3.61 5.43 -5.35 -0.18 -4.91 119.36 114.97 2wpa n ILE 10 Ca 0.07 -0.51 -0.06 0.00 -0.27 0.00 0.00 62.75 61.97 2wpa n ILE 10 Cb 0.50 1.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.02 -0.08 0.02 3.28 0.00 -1.12 -4.97 107.32 104.42 2wpa s GLY 11 Ca 0.00 2.46 -0.24 0.00 0.00 0.00 0.00 44.72 46.93 2wpa s GLY 11 CO 0.00 1.12 0.56 1.85 0.00 0.00 0.00 173.10 176.63 2wpa s GLU 12 N -0.98 1.02 0.00 2.90 2.12 -1.26 -0.39 118.70 122.10 2wpa s GLU 12 Ca 0.03 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.28 2wpa s GLU 12 Cb -0.01 0.47 0.00 0.00 0.26 0.00 0.00 34.13 34.85 2wpa s GLU 12 CO -0.03 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 2wpa n GLY 13 N 0.61 -1.21 0.30 -1.50 0.00 -0.05 -4.97 105.19 98.37 2wpa n GLY 13 Ca -0.19 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.09 2wpa n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wpa h THR 14 N 0.00 0.63 0.00 2.61 2.02 -2.03 -1.38 112.91 114.75 2wpa h THR 14 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2wpa h THR 14 Cb 0.00 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2wpa h THR 14 CO 0.00 0.00 -0.20 0.10 0.37 0.00 0.00 175.52 175.79 2wpa h TYR 15 N 0.00 0.00 0.00 3.16 -0.00 -1.96 -3.50 116.97 114.67 2wpa h TYR 15 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.75 2wpa h TYR 15 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.85 2wpa h TYR 15 CO 0.00 0.20 0.00 0.41 -0.00 0.00 0.00 178.16 178.77 2wpa n GLY 16 N 0.31 0.53 3.30 0.10 0.00 -0.52 -4.59 105.19 104.32 2wpa n GLY 16 Ca 0.01 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.42 1.63 -0.13 1.61 1.01 -0.91 -0.87 120.40 120.32 2wpa s VAL 17 Ca 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 61.98 60.18 2wpa s VAL 17 Cb 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.67 2wpa s VAL 17 CO 0.00 -0.34 -0.21 -0.69 0.00 0.00 0.00 175.10 173.85 2wpa s VAL 18 N -2.05 1.99 -0.09 2.92 1.01 0.47 -0.28 120.40 124.38 2wpa s VAL 18 Ca 0.13 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2wpa s VAL 18 Cb -0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2wpa s VAL 18 CO 0.05 0.54 -0.07 -0.31 0.00 0.00 0.00 175.10 175.31 2wpa s TYR 19 N 0.77 2.94 0.32 5.22 1.51 0.76 -1.01 117.35 127.88 2wpa s TYR 19 Ca -0.09 -0.11 -0.28 0.00 -1.01 0.00 0.00 57.07 55.58 2wpa s TYR 19 Cb -0.16 -1.78 -0.10 0.00 -0.11 0.00 0.00 41.96 39.82 2wpa s TYR 19 CO -0.00 0.20 1.18 0.21 -1.11 0.00 0.00 175.55 176.02 2wpa s LYS 20 N -0.44 4.42 0.24 -0.62 2.20 -0.35 0.28 119.74 125.49 2wpa s LYS 20 Ca 0.06 1.93 -0.15 0.00 -0.36 0.00 0.00 55.97 57.46 2wpa s LYS 20 Cb -0.12 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 2wpa s LYS 20 CO 0.02 -0.03 0.52 0.00 -0.36 0.00 0.00 175.35 175.50 2wpa s ALA 21 N -1.22 -0.51 -0.01 3.13 0.00 0.88 -1.01 121.76 123.02 2wpa s ALA 21 Ca 0.49 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.83 2wpa s ALA 21 Cb -0.34 0.99 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 2wpa s ALA 21 CO 0.44 -0.87 -0.21 0.50 0.00 0.00 0.00 175.76 175.62 2wpa s ARG 22 N -3.98 1.65 -0.22 0.00 3.52 -0.19 -0.87 118.95 118.86 2wpa s ARG 22 Ca 0.18 -0.75 -0.29 0.00 -0.13 0.00 0.00 55.73 54.74 2wpa s ARG 22 Cb -0.01 -1.61 0.00 0.00 -1.56 0.00 0.00 34.95 31.77 2wpa s ARG 22 CO 0.06 0.44 1.15 1.21 -0.81 0.00 0.00 175.30 177.36 2wpa s ASN 23 N -0.52 6.99 0.48 -2.12 3.84 0.74 -0.51 114.94 123.83 2wpa s ASN 23 Ca 0.08 1.45 0.27 0.00 0.21 0.00 0.00 52.86 54.87 2wpa s ASN 23 Cb -0.08 -2.54 1.00 0.00 -0.55 0.00 0.00 41.25 39.08 2wpa s ASN 23 CO -0.01 -0.76 1.85 0.11 -2.79 0.00 0.00 177.10 175.50 2wpa h LYS 24 N 7.96 0.00 0.13 0.43 1.57 -1.39 0.26 116.57 125.54 2wpa h LYS 24 Ca -0.23 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.20 2wpa h LYS 24 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2wpa h LYS 24 CO 0.99 0.13 -1.88 -0.07 -0.57 0.00 0.00 179.45 178.05 2wpa h LEU 25 N 0.00 0.43 0.00 2.94 3.38 -1.92 -3.40 115.31 116.73 2wpa h LEU 25 Ca -0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2wpa h LEU 25 Cb 0.71 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2wpa h LEU 25 CO 0.02 1.73 -1.68 0.35 0.09 0.00 0.00 178.44 178.96 2wpa n THR 26 N -3.47 0.00 -0.86 0.22 -2.24 -1.21 -5.00 114.28 101.73 2wpa n THR 26 Ca -0.28 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2wpa n THR 26 Cb 1.06 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.57 0.89 3.74 3.38 0.00 0.93 -5.01 105.19 110.69 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 -0.14 4.23 0.20 1.61 2.12 -1.24 -4.62 118.70 120.86 2wpa s GLU 28 Ca 0.00 2.37 -0.13 0.00 0.36 0.00 0.00 54.97 57.57 2wpa s GLU 28 Cb 0.00 -3.10 -0.07 0.00 0.26 0.00 0.00 34.13 31.22 2wpa s GLU 28 CO 0.00 -0.49 0.58 0.08 -0.54 0.00 0.00 175.26 174.90 2wpa s VAL 29 N 0.12 4.85 0.01 3.70 1.01 -1.26 -0.19 120.40 128.64 2wpa s VAL 29 Ca 0.61 0.73 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 2wpa s VAL 29 Cb -0.43 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.32 2wpa s VAL 29 CO 0.43 0.07 0.58 -0.69 0.00 0.00 0.00 175.10 175.49 2wpa s VAL 30 N -1.66 0.02 -0.22 2.92 1.01 -0.05 -4.43 120.40 117.98 2wpa s VAL 30 Ca 0.44 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 2wpa s VAL 30 Cb -0.13 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2wpa s VAL 30 CO 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 175.10 175.22 2wpa s ALA 31 N -1.91 2.96 -0.32 5.51 0.00 -0.30 -0.08 121.76 127.61 2wpa s ALA 31 Ca -0.08 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 2wpa s ALA 31 Cb -0.01 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 2wpa s ALA 31 CO 0.03 -0.33 0.18 -0.51 0.00 0.00 0.00 175.76 175.13 2wpa s LEU 32 N 1.31 4.27 -0.33 0.00 1.43 0.14 -0.60 118.68 124.91 2wpa s LEU 32 Ca 0.04 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2wpa s LEU 32 Cb -0.15 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2wpa s LEU 32 CO 0.00 -0.22 0.37 -0.75 0.23 0.00 0.00 176.35 175.98 2wpa s LYS 33 N 1.64 3.68 -0.23 1.70 2.20 0.03 -0.17 119.74 128.59 2wpa s LYS 33 Ca 0.05 -0.30 -0.08 0.00 -0.36 0.00 0.00 55.97 55.28 2wpa s LYS 33 Cb -0.17 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 2wpa s LYS 33 CO 0.07 -0.47 0.09 0.21 -0.36 0.00 0.00 175.35 174.90 2wpa s LYS 34 N 2.05 3.85 -0.20 4.03 2.20 0.62 -0.62 119.74 131.67 2wpa s LYS 34 Ca 0.13 -0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 55.33 2wpa s LYS 34 Cb -0.16 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 2wpa s LYS 34 CO 0.11 0.00 -0.11 0.42 -0.36 0.00 0.00 175.35 175.42 2wpa s ILE 35 N 1.14 2.87 0.14 5.43 1.01 0.53 -2.14 121.20 130.19 2wpa s ILE 35 Ca 0.05 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 2wpa s ILE 35 Cb -0.14 -2.27 -0.07 0.00 0.01 0.00 0.00 42.46 39.99 2wpa s ILE 35 CO 0.04 0.47 1.04 -0.13 0.00 0.00 0.00 174.94 176.36 2wpa s ARG 36 N 1.33 4.64 -0.09 2.79 1.81 -1.26 -2.10 118.95 126.07 2wpa s ARG 36 Ca 0.04 1.59 0.19 0.00 -1.72 0.00 0.00 55.73 55.84 2wpa s ARG 36 Cb -0.14 -3.33 -0.29 0.00 -0.45 0.00 0.00 34.95 30.74 2wpa s ARG 36 CO -0.06 0.13 0.30 1.28 -0.68 0.00 0.00 175.30 176.27 2wpa n LEU 37 N 2.64 0.00 0.00 2.53 4.77 -1.09 -4.37 117.00 121.47 2wpa n LEU 37 Ca 0.03 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.07 2wpa n LEU 37 Cb 0.48 0.19 0.37 0.00 -2.33 0.00 0.00 43.42 42.12 2wpa n LEU 37 CO 0.53 0.19 0.68 0.47 -1.33 0.00 0.00 177.39 177.92 2wpa n ASP 38 N -2.41 0.00 0.05 -1.43 8.00 -1.26 -2.66 116.55 116.84 2wpa n ASP 38 Ca -0.15 -1.34 -0.07 0.00 0.71 0.00 0.00 54.79 53.95 2wpa n ASP 38 Cb 0.77 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.75 2wpa n ASP 38 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2wpa h THR 39 N 0.00 1.62 0.00 -3.53 2.02 -1.96 -3.36 112.91 107.70 2wpa h THR 39 Ca 0.00 -3.35 0.00 0.00 0.77 0.00 0.00 66.41 63.83 2wpa h THR 39 Cb 0.00 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2wpa h THR 39 CO 0.00 0.92 0.00 -0.62 0.37 0.00 0.00 175.52 176.19 2wpa n GLU 40 N -3.32 1.73 -3.72 6.66 4.71 -1.24 -5.01 120.64 120.45 2wpa n GLU 40 Ca -0.02 -0.14 -0.21 0.00 -0.01 0.00 0.00 57.16 56.78 2wpa n GLU 40 Cb 0.95 -0.53 -0.02 0.00 -1.01 0.00 0.00 31.44 30.84 2wpa n GLU 40 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2wpa n THR 41 N -0.29 -1.00 -0.63 2.62 -2.24 -1.09 -4.79 114.28 106.87 2wpa n THR 41 Ca 0.00 -0.29 0.07 0.00 -2.27 0.00 0.00 64.05 61.56 2wpa n THR 41 Cb 0.05 -0.88 0.20 0.00 -2.10 0.00 0.00 70.33 67.60 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 -3.06 2.82 0.00 -0.78 4.07 -1.26 -5.10 120.64 117.34 2wpa n GLU 42 Ca -0.11 -2.45 0.00 0.00 -0.06 0.00 0.00 57.16 54.53 2wpa n GLU 42 Cb 0.33 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.15 2wpa n GLU 42 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wpa n GLY 43 N -0.17 -1.71 3.69 8.31 0.00 -1.26 -4.79 105.19 109.26 2wpa n GLY 43 Ca 0.16 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 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 3.42 0.52 1.61 1.01 -1.26 -4.95 120.40 120.74 2wpa s VAL 44 Ca 0.00 0.81 -0.23 0.00 0.00 0.00 0.00 61.98 62.56 2wpa s VAL 44 Cb 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 2wpa s VAL 44 CO 0.00 -0.01 1.35 -2.65 0.00 0.00 0.00 175.10 173.79 2wpa n PRO 45 N 5.66 1.80 -0.02 2.72 -0.02 -1.26 -4.82 135.00 139.06 2wpa n PRO 45 Ca 0.15 0.65 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 2wpa n PRO 45 Cb 0.42 -2.55 0.59 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.63 0.18 0.17 2.55 0.02 -1.95 -0.90 113.55 115.25 2wpa h SER 46 Ca -0.50 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.35 2wpa h SER 46 Cb 1.30 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2wpa h SER 46 CO 0.58 0.11 -0.37 0.00 -1.14 0.00 0.00 176.83 176.01 2wpa h THR 47 N 0.20 1.29 0.08 -2.27 1.03 -1.90 -1.32 112.91 110.03 2wpa h THR 47 Ca 0.24 -1.43 -0.23 0.00 -0.01 0.00 0.00 66.41 64.98 2wpa h THR 47 Cb 0.69 1.60 0.02 0.00 -1.07 0.00 0.00 68.15 69.39 2wpa h THR 47 CO -0.04 0.43 -0.95 0.00 -0.01 0.00 0.00 175.52 174.95 2wpa h ALA 48 N 1.37 0.00 -0.45 0.00 0.00 -1.51 -2.71 119.26 115.97 2wpa h ALA 48 Ca 0.03 -0.69 0.08 0.00 0.00 0.00 0.00 54.91 54.33 2wpa h ALA 48 Cb 0.77 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 2wpa h ALA 48 CO 0.06 0.52 -0.34 0.82 0.00 0.00 0.00 179.25 180.30 2wpa h ILE 49 N 0.02 0.20 -0.41 0.00 1.08 -1.19 0.14 117.51 117.35 2wpa h ILE 49 Ca -0.14 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.19 2wpa h ILE 49 Cb 1.67 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 2wpa h ILE 49 CO 0.18 0.00 -0.27 0.03 -0.69 0.00 0.00 178.15 177.40 2wpa h ARG 50 N -0.24 0.90 -0.01 2.37 3.08 -1.35 -1.53 114.38 117.60 2wpa h ARG 50 Ca 0.18 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 2wpa h ARG 50 Cb 0.55 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2wpa h ARG 50 CO -0.58 1.08 0.00 1.49 -1.07 0.00 0.00 179.97 180.89 2wpa h GLU 51 N 0.72 0.01 0.45 0.04 4.81 -1.20 -0.78 114.58 118.63 2wpa h GLU 51 Ca 0.08 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2wpa h GLU 51 Cb 0.85 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2wpa h GLU 51 CO 0.07 0.22 -0.22 0.82 -0.73 0.00 0.00 179.01 179.18 2wpa h ILE 52 N -0.20 0.50 -0.86 2.32 2.04 -0.77 -0.27 117.51 120.27 2wpa h ILE 52 Ca 0.00 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.51 2wpa h ILE 52 Cb 0.22 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2wpa h ILE 52 CO -0.00 0.06 0.55 0.77 0.00 0.00 0.00 178.15 179.54 2wpa h SER 53 N -0.85 0.93 0.51 1.72 4.64 -1.32 -2.26 113.55 116.93 2wpa h SER 53 Ca -0.06 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 60.98 2wpa h SER 53 Cb 0.56 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2wpa h SER 53 CO 0.10 0.64 -1.19 -0.07 -0.87 0.00 0.00 176.83 175.45 2wpa h LEU 54 N 1.09 0.50 -0.78 5.97 3.38 -1.12 -3.27 115.31 121.08 2wpa h LEU 54 Ca 0.34 -0.50 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 2wpa h LEU 54 Cb -0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2wpa h LEU 54 CO -0.11 1.36 -0.56 0.25 0.09 0.00 0.00 178.44 179.48 2wpa h LEU 55 N 0.12 0.18 0.00 1.67 5.85 -0.81 -2.37 115.31 119.95 2wpa h LEU 55 Ca -0.13 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2wpa h LEU 55 Cb 1.89 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2wpa h LEU 55 CO 0.20 0.70 0.00 2.29 -0.34 0.00 0.00 178.44 181.29 2wpa n LYS 56 N -3.90 0.76 0.05 1.25 2.85 -0.87 -1.41 118.16 116.89 2wpa n LYS 56 Ca -0.02 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.24 2wpa n LYS 56 Cb 0.58 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.39 2wpa n LYS 56 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2wpa h GLU 57 N 0.00 0.00 -4.25 -1.58 5.08 -1.50 -3.46 114.58 108.87 2wpa h GLU 57 Ca 0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 2wpa h GLU 57 Cb 0.11 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.13 2wpa h GLU 57 CO 0.00 0.38 -0.15 -0.51 -1.00 0.00 0.00 179.01 177.73 2wpa s LEU 58 N -5.97 5.96 -0.36 1.33 1.43 -0.50 -5.01 118.68 115.56 2wpa s LEU 58 Ca -0.02 -1.67 -0.06 0.00 -1.03 0.00 0.00 54.13 51.36 2wpa s LEU 58 Cb 0.08 -2.23 0.06 0.00 0.03 0.00 0.00 46.19 44.13 2wpa s LEU 58 CO 0.80 -0.90 0.13 0.21 0.23 0.00 0.00 176.35 176.82 2wpa s ASN 59 N 3.53 5.30 -0.05 2.29 2.47 -1.26 -4.95 114.94 122.26 2wpa s ASN 59 Ca 0.05 -1.36 -0.19 0.00 0.42 0.00 0.00 52.86 51.78 2wpa s ASN 59 Cb -0.28 -1.86 0.04 0.00 -1.45 0.00 0.00 41.25 37.70 2wpa s ASN 59 CO 0.04 -0.39 0.42 -2.28 -3.72 0.00 0.00 177.10 171.18 2wpa s HIS 60 N 1.34 -0.35 0.62 0.43 2.46 -1.26 -5.05 115.29 113.47 2wpa s HIS 60 Ca 0.00 0.65 0.34 0.00 0.47 0.00 0.00 55.06 56.52 2wpa s HIS 60 Cb -0.21 0.18 1.98 0.00 -0.13 0.00 0.00 32.58 34.40 2wpa s HIS 60 CO 0.01 -0.41 2.27 -1.35 -2.47 0.00 0.00 174.74 172.78 2wpa h PRO 61 N 3.97 0.00 -0.37 2.88 0.11 -1.99 -2.43 132.00 134.18 2wpa h PRO 61 Ca -0.29 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2wpa h PRO 61 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2wpa h PRO 61 CO 0.36 0.00 0.03 0.09 -0.21 0.00 0.00 178.00 178.27 2wpa n ASN 62 N -3.60 3.75 -4.04 -2.05 5.03 -1.26 -4.86 115.26 108.22 2wpa n ASN 62 Ca -0.02 -3.23 -0.24 0.00 0.87 0.00 0.00 54.58 51.96 2wpa n ASN 62 Cb 0.11 -0.60 -0.16 0.00 -1.02 0.00 0.00 39.78 38.11 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 -2.96 1.15 0.33 2.41 1.01 -0.92 -0.64 121.20 121.58 2wpa s ILE 63 Ca 0.45 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 2wpa s ILE 63 Cb 0.37 -1.03 -0.11 0.00 0.01 0.00 0.00 42.46 41.70 2wpa s ILE 63 CO 0.08 0.35 1.56 0.52 0.00 0.00 0.00 174.94 177.45 2wpa n VAL 64 N 3.61 1.38 -2.92 2.92 0.31 -0.79 -4.61 118.33 118.25 2wpa n VAL 64 Ca -0.21 -0.35 -0.41 0.00 -0.01 0.00 0.00 64.34 63.36 2wpa n VAL 64 Cb 0.52 -1.98 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 2wpa n VAL 64 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wpa s LYS 65 N -1.10 4.39 -0.15 5.55 1.02 -1.26 -4.99 119.74 123.20 2wpa s LYS 65 Ca 0.60 1.03 -0.23 0.00 0.02 0.00 0.00 55.97 57.39 2wpa s LYS 65 Cb -0.49 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.29 2wpa s LYS 65 CO 0.54 -0.14 0.73 -1.17 -0.92 0.00 0.00 175.35 174.38 2wpa s LEU 66 N 1.48 4.20 -0.15 3.17 2.96 -1.26 -1.99 118.68 127.10 2wpa s LEU 66 Ca 0.40 1.06 0.16 0.00 -0.22 0.00 0.00 54.13 55.53 2wpa s LEU 66 Cb -0.18 -3.07 -0.24 0.00 0.50 0.00 0.00 46.19 43.20 2wpa s LEU 66 CO 0.17 -0.28 0.25 0.18 -1.32 0.00 0.00 176.35 175.35 2wpa n LEU 67 N 4.76 0.34 -3.57 -0.68 4.77 0.47 -4.98 117.00 118.11 2wpa n LEU 67 Ca 0.01 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 56.06 2wpa n LEU 67 Cb 0.50 0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.93 2wpa n LEU 67 CO 0.46 0.48 0.91 -0.62 -1.33 0.00 0.00 177.39 177.29 2wpa s ASP 68 N -5.70 -0.21 -0.06 -1.43 -1.08 -1.12 -4.99 116.67 102.08 2wpa s ASP 68 Ca -0.09 0.02 0.01 0.00 -0.52 0.00 0.00 52.55 51.97 2wpa s ASP 68 Cb 0.07 0.22 0.02 0.00 -1.46 0.00 0.00 42.92 41.76 2wpa s ASP 68 CO 0.82 -0.35 -0.08 -0.69 0.52 0.00 0.00 175.17 175.40 2wpa s VAL 69 N -2.53 0.85 -0.19 1.11 1.01 -1.26 -0.92 120.40 118.46 2wpa s VAL 69 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 2wpa s VAL 69 Cb -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2wpa s VAL 69 CO -0.06 0.30 -0.12 -0.63 0.00 0.00 0.00 175.10 174.59 2wpa s ILE 70 N 0.93 2.77 -0.37 2.22 1.09 -0.10 -5.00 121.20 122.74 2wpa s ILE 70 Ca -0.10 -0.71 0.01 0.00 -1.10 0.00 0.00 60.65 58.75 2wpa s ILE 70 Cb -0.15 -2.21 0.10 0.00 -1.06 0.00 0.00 42.46 39.14 2wpa s ILE 70 CO 0.01 0.48 0.11 -2.28 -0.10 0.00 0.00 174.94 173.16 2wpa s HIS 71 N 1.28 3.69 0.00 3.97 2.46 -1.26 -1.00 115.29 124.44 2wpa s HIS 71 Ca 0.04 -2.77 0.00 0.00 0.47 0.00 0.00 55.06 52.80 2wpa s HIS 71 Cb -0.14 -3.04 0.00 0.00 -0.13 0.00 0.00 32.58 29.28 2wpa s HIS 71 CO -0.06 -0.96 0.00 0.25 -2.47 0.00 0.00 174.74 171.50 2wpa n THR 72 N 4.39 0.00 0.33 0.89 -2.24 -0.70 -4.97 114.28 111.97 2wpa n THR 72 Ca 0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 2wpa n THR 72 Cb 0.42 -1.47 0.26 0.00 -2.10 0.00 0.00 70.33 67.44 2wpa n THR 72 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wpa h GLU 73 N 0.00 0.00 0.00 -0.78 5.08 -2.02 -3.37 114.58 113.49 2wpa h GLU 73 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wpa h GLU 73 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wpa h GLU 73 CO 0.00 0.00 -0.14 0.09 -1.00 0.00 0.00 179.01 177.96 2wpa n ASN 74 N -2.88 0.70 -4.44 1.42 3.02 -1.26 -5.02 115.26 106.80 2wpa n ASN 74 Ca 0.04 -0.07 -0.30 0.00 -0.03 0.00 0.00 54.58 54.23 2wpa n ASN 74 Cb 0.49 0.28 -0.12 0.00 -0.61 0.00 0.00 39.78 39.82 2wpa n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wpa s LYS 75 N -0.42 1.77 -0.09 3.52 3.01 -1.26 -2.69 119.74 123.58 2wpa s LYS 75 Ca 0.00 -1.16 0.02 0.00 -1.01 0.00 0.00 55.97 53.82 2wpa s LYS 75 Cb 0.00 -2.07 0.01 0.00 -1.01 0.00 0.00 37.83 34.76 2wpa s LYS 75 CO 0.00 0.49 -0.16 -1.17 0.51 0.00 0.00 175.35 175.02 2wpa s LEU 76 N -1.86 1.78 -0.14 3.17 2.96 -0.89 -1.73 118.68 121.96 2wpa s LEU 76 Ca 0.16 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2wpa s LEU 76 Cb -0.10 -1.08 -0.00 0.00 0.50 0.00 0.00 46.19 45.51 2wpa s LEU 76 CO 0.07 0.05 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.67 2wpa s TYR 77 N 0.75 2.74 -0.15 5.38 1.51 -0.17 -0.35 117.35 127.06 2wpa s TYR 77 Ca -0.12 -1.04 -0.07 0.00 -1.01 0.00 0.00 57.07 54.83 2wpa s TYR 77 Cb -0.16 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2wpa s TYR 77 CO 0.02 -0.46 0.08 -0.51 -1.11 0.00 0.00 175.55 173.58 2wpa s LEU 78 N 0.69 3.99 -0.24 -1.29 1.43 0.20 -0.92 118.68 122.55 2wpa s LEU 78 Ca -0.08 0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 2wpa s LEU 78 Cb -0.16 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2wpa s LEU 78 CO 0.02 0.28 0.07 -0.69 0.23 0.00 0.00 176.35 176.25 2wpa s VAL 79 N -0.24 4.36 0.30 -1.59 1.01 -0.10 -0.79 120.40 123.35 2wpa s VAL 79 Ca 0.09 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 62.02 2wpa s VAL 79 Cb -0.12 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 2wpa s VAL 79 CO 0.01 0.35 -0.13 -0.36 0.00 0.00 0.00 175.10 174.97 2wpa s PHE 80 N 1.53 2.39 0.86 5.22 0.40 0.23 0.18 117.98 128.79 2wpa s PHE 80 Ca 0.06 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 55.91 2wpa s PHE 80 Cb -0.15 -1.18 0.11 0.00 0.51 0.00 0.00 43.02 42.32 2wpa s PHE 80 CO 0.04 0.64 1.14 -1.83 0.70 0.00 0.00 175.22 175.92 2wpa s GLU 81 N -3.58 1.41 -0.15 0.44 -1.05 -0.84 -1.15 118.70 113.77 2wpa s GLU 81 Ca 0.31 1.50 -0.07 0.00 -0.15 0.00 0.00 54.97 56.57 2wpa s GLU 81 Cb -0.03 -1.78 -0.04 0.00 -0.44 0.00 0.00 34.13 31.85 2wpa s GLU 81 CO 0.16 -2.33 0.07 0.12 0.95 0.00 0.00 175.26 174.24 2wpa s PHE 82 N -2.62 3.32 0.10 4.83 2.19 -1.26 -4.17 117.98 120.37 2wpa s PHE 82 Ca 0.67 0.20 0.08 0.00 0.33 0.00 0.00 56.93 58.21 2wpa s PHE 82 Cb -0.22 -2.01 -0.03 0.00 -1.31 0.00 0.00 43.02 39.44 2wpa s PHE 82 CO 0.56 0.33 -0.21 -0.51 1.83 0.00 0.00 175.22 177.22 2wpa s LEU 83 N -0.12 2.29 0.24 6.12 1.02 -1.26 -5.00 118.68 121.97 2wpa s LEU 83 Ca 0.07 -0.68 -0.03 0.00 0.02 0.00 0.00 54.13 53.51 2wpa s LEU 83 Cb -0.12 -0.92 0.27 0.00 0.02 0.00 0.00 46.19 45.44 2wpa s LEU 83 CO 0.01 0.07 1.71 0.45 0.02 0.00 0.00 176.35 178.62 2wpa h HIS 84 N 4.11 0.87 -3.38 0.29 3.86 -1.85 -3.47 115.15 115.58 2wpa h HIS 84 Ca -0.46 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 58.58 2wpa h HIS 84 Cb 1.18 -0.23 -0.09 0.00 1.06 0.00 0.00 27.41 29.33 2wpa h HIS 84 CO 0.61 0.84 0.01 -1.14 0.86 0.00 0.00 177.93 179.10 2wpa s GLN 85 N -4.87 1.50 0.33 2.45 2.00 -0.74 -5.02 119.66 115.31 2wpa s GLN 85 Ca -0.10 -1.03 0.08 0.00 -2.00 0.00 0.00 55.36 52.32 2wpa s GLN 85 Cb 0.14 0.52 -0.04 0.00 0.80 0.00 0.00 33.01 34.42 2wpa s GLN 85 CO 0.82 -0.64 0.12 0.16 -0.50 0.00 0.00 175.29 175.25 2wpa s ASP 86 N -2.93 4.64 0.27 6.67 1.47 -1.26 0.78 116.67 126.31 2wpa s ASP 86 Ca 0.14 -0.77 0.05 0.00 1.18 0.00 0.00 52.55 53.14 2wpa s ASP 86 Cb -0.02 -0.73 0.38 0.00 -0.34 0.00 0.00 42.92 42.22 2wpa s ASP 86 CO 0.03 -0.27 1.66 0.25 0.68 0.00 0.00 175.17 177.53 2wpa h LEU 87 N 1.59 0.33 -0.05 2.11 5.85 -0.67 -2.10 115.31 122.36 2wpa h LEU 87 Ca -0.44 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.15 2wpa h LEU 87 Cb 1.25 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2wpa h LEU 87 CO 0.63 0.72 -0.00 0.50 -0.34 0.00 0.00 178.44 179.95 2wpa h LYS 88 N 0.26 0.02 -0.20 1.25 3.64 -1.81 0.10 116.57 119.83 2wpa h LYS 88 Ca 0.02 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 2wpa h LYS 88 Cb 0.86 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2wpa h LYS 88 CO 0.07 0.01 -0.47 0.87 -2.27 0.00 0.00 179.45 177.66 2wpa h LYS 89 N 0.02 0.51 -0.48 1.90 1.57 -1.86 -1.72 116.57 116.50 2wpa h LYS 89 Ca 0.03 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 2wpa h LYS 89 Cb 0.03 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2wpa h LYS 89 CO -0.05 0.87 -0.07 0.35 -0.57 0.00 0.00 179.45 179.98 2wpa h PHE 90 N 0.41 1.00 -0.42 -1.35 3.57 -1.23 0.14 116.94 119.06 2wpa h PHE 90 Ca 0.02 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 2wpa h PHE 90 Cb 0.98 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2wpa h PHE 90 CO 0.04 0.96 0.26 0.52 -2.23 0.00 0.00 178.31 177.86 2wpa h MET 91 N 0.76 0.57 -0.40 1.11 2.86 -0.70 -0.87 114.93 118.25 2wpa h MET 91 Ca 0.13 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 2wpa h MET 91 Cb 0.61 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2wpa h MET 91 CO 0.04 0.41 0.20 0.22 1.06 0.00 0.00 176.91 178.84 2wpa h ASP 92 N 0.56 0.30 0.67 1.22 3.58 -1.11 -1.93 116.42 119.71 2wpa h ASP 92 Ca 0.15 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2wpa h ASP 92 Cb -0.02 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2wpa h ASP 92 CO -0.03 0.22 0.00 0.00 -2.88 0.00 0.00 179.24 176.55 2wpa h ALA 93 N 1.21 1.00 -0.67 -0.78 0.00 -0.36 -2.87 119.26 116.79 2wpa h ALA 93 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wpa h ALA 93 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wpa h ALA 93 CO -0.11 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.57 2wpa n SER 94 N -2.49 3.80 -0.20 0.00 7.64 -0.36 -4.65 113.62 117.36 2wpa n SER 94 Ca 0.01 -2.08 -0.05 0.00 1.01 0.00 0.00 58.87 57.76 2wpa n SER 94 Cb 0.21 -0.48 0.05 0.00 -1.01 0.00 0.00 64.21 62.98 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 4.21 0.74 -0.19 -0.43 0.00 -1.37 1.11 119.26 123.34 2wpa h ALA 95 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2wpa h ALA 95 Cb 1.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wpa h ALA 95 CO 0.04 0.11 -0.13 1.25 0.00 0.00 0.00 179.25 180.53 2wpa h LEU 96 N 0.73 0.44 0.05 0.00 5.85 -1.86 -3.31 115.31 117.20 2wpa h LEU 96 Ca 0.23 -0.44 -0.27 0.00 0.84 0.00 0.00 57.88 58.24 2wpa h LEU 96 Cb -0.02 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2wpa h LEU 96 CO -0.08 0.78 -1.39 0.71 -0.34 0.00 0.00 178.44 178.12 2wpa h THR 97 N 0.10 1.27 0.00 1.05 1.35 -1.84 -3.51 112.91 111.33 2wpa h THR 97 Ca 0.04 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 62.91 2wpa h THR 97 Cb 0.63 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2wpa h THR 97 CO 0.03 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 2wpa n GLY 98 N 1.53 -2.10 3.68 5.82 0.00 0.38 -4.88 105.19 109.62 2wpa n GLY 98 Ca -0.11 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.20 4.86 0.32 -0.61 1.01 -1.26 -4.93 121.20 117.40 2wpa s ILE 99 Ca 0.00 1.75 -0.28 0.00 0.00 0.00 0.00 60.65 62.11 2wpa s ILE 99 Cb 0.00 -4.18 -0.13 0.00 0.01 0.00 0.00 42.46 38.16 2wpa s ILE 99 CO 0.00 0.04 1.23 -2.65 0.00 0.00 0.00 174.94 173.56 2wpa n PRO 100 N 5.05 1.93 -0.12 2.79 -0.02 -1.26 -4.73 135.00 138.65 2wpa n PRO 100 Ca 0.05 0.68 0.07 0.00 -2.02 0.00 0.00 63.50 62.28 2wpa n PRO 100 Cb 0.49 -2.21 0.40 0.00 -0.02 0.00 0.00 33.50 32.16 2wpa n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wpa h LEU 101 N 2.53 0.55 -1.11 2.45 6.46 -1.98 -0.84 115.31 123.36 2wpa h LEU 101 Ca -0.44 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.23 2wpa h LEU 101 Cb 1.30 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 2wpa h LEU 101 CO 0.63 0.36 -0.28 -0.65 -0.62 0.00 0.00 178.44 177.88 2wpa h PRO 102 N 0.63 0.28 -0.18 5.25 0.11 -2.00 -0.89 132.00 135.21 2wpa h PRO 102 Ca 0.26 -0.10 -0.19 0.00 0.11 0.00 0.00 66.00 66.08 2wpa h PRO 102 Cb 0.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.34 2wpa h PRO 102 CO -0.08 0.54 -0.66 1.25 -0.21 0.00 0.00 178.00 178.84 2wpa h LEU 103 N 0.25 0.77 -0.53 2.35 5.85 -1.55 -1.87 115.31 120.58 2wpa h LEU 103 Ca 0.04 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.35 2wpa h LEU 103 Cb 0.62 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2wpa h LEU 103 CO 0.05 1.22 0.27 0.40 -0.34 0.00 0.00 178.44 180.04 2wpa h ILE 104 N 0.49 0.95 -0.05 4.05 2.04 -0.98 -0.36 117.51 123.65 2wpa h ILE 104 Ca -0.02 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2wpa h ILE 104 Cb 1.25 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2wpa h ILE 104 CO 0.13 0.10 0.02 0.50 0.00 0.00 0.00 178.15 178.89 2wpa h LYS 105 N 0.52 0.07 -0.57 2.37 3.64 -1.07 -1.28 116.57 120.25 2wpa h LYS 105 Ca 0.24 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.70 2wpa h LYS 105 Cb 0.15 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.88 2wpa h LYS 105 CO -0.17 0.25 0.14 1.03 -2.27 0.00 0.00 179.45 178.44 2wpa h SER 106 N -0.11 0.06 -0.52 4.20 0.87 -1.18 -0.59 113.55 116.27 2wpa h SER 106 Ca 0.02 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2wpa h SER 106 Cb 0.20 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2wpa h SER 106 CO -0.00 0.05 0.29 1.88 -0.53 0.00 0.00 176.83 178.51 2wpa h TYR 107 N 0.29 0.72 -0.54 2.24 0.05 -0.80 -0.27 116.97 118.66 2wpa h TYR 107 Ca 0.29 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.94 2wpa h TYR 107 Cb 0.40 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 2wpa h TYR 107 CO -0.22 0.53 -0.11 1.25 -1.05 0.00 0.00 178.16 178.56 2wpa h LEU 108 N 0.70 1.03 -0.27 3.88 5.85 -0.78 0.11 115.31 125.84 2wpa h LEU 108 Ca 0.18 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2wpa h LEU 108 Cb 0.05 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2wpa h LEU 108 CO -0.03 1.14 0.07 0.15 -0.34 0.00 0.00 178.44 179.43 2wpa h PHE 109 N 0.91 0.12 -0.46 1.25 3.57 -0.85 -0.66 116.94 120.82 2wpa h PHE 109 Ca 0.14 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2wpa h PHE 109 Cb 0.68 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2wpa h PHE 109 CO 0.05 0.05 0.04 1.96 -2.23 0.00 0.00 178.31 178.17 2wpa h GLN 110 N 0.18 0.78 -0.48 1.11 4.20 -0.63 -2.10 115.11 118.17 2wpa h GLN 110 Ca 0.12 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2wpa h GLN 110 Cb 0.11 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2wpa h GLN 110 CO -0.14 0.82 0.30 -0.07 -0.67 0.00 0.00 178.83 179.07 2wpa h LEU 111 N 0.64 0.57 -0.78 1.46 3.38 -0.78 -1.37 115.31 118.43 2wpa h LEU 111 Ca 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wpa h LEU 111 Cb 0.45 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2wpa h LEU 111 CO 0.02 0.45 0.49 -0.07 0.09 0.00 0.00 178.44 179.41 2wpa h LEU 112 N 0.64 0.92 -0.32 1.67 3.38 -1.02 -0.23 115.31 120.35 2wpa h LEU 112 Ca 0.17 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2wpa h LEU 112 Cb -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2wpa h LEU 112 CO -0.03 0.70 0.12 1.56 0.09 0.00 0.00 178.44 180.87 2wpa h GLN 113 N 1.06 0.25 -0.92 1.13 4.20 -0.87 0.39 115.11 120.35 2wpa h GLN 113 Ca 0.28 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 2wpa h GLN 113 Cb -0.07 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 2wpa h GLN 113 CO -0.06 0.17 0.57 0.78 -0.67 0.00 0.00 178.83 179.62 2wpa h GLY 114 N 0.26 1.33 1.19 3.46 0.00 -0.94 -2.08 103.07 106.28 2wpa h GLY 114 Ca 0.14 -0.54 -0.19 0.00 0.00 0.00 0.00 47.33 46.74 2wpa h GLY 114 CO -0.14 0.52 -0.58 -2.00 0.00 0.00 0.00 176.54 174.34 2wpa h LEU 115 N 1.26 0.95 -0.76 3.11 5.85 -0.41 -2.11 115.31 123.20 2wpa h LEU 115 Ca 0.33 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.60 2wpa h LEU 115 Cb -0.08 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.62 2wpa h LEU 115 CO -0.06 1.32 0.44 0.00 -0.34 0.00 0.00 178.44 179.79 2wpa h ALA 116 N 0.69 1.04 -0.06 1.25 0.00 -0.11 -0.61 119.26 121.46 2wpa h ALA 116 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wpa h ALA 116 Cb 1.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2wpa h ALA 116 CO 0.13 0.12 0.03 0.35 0.00 0.00 0.00 179.25 179.88 2wpa h PHE 117 N 0.79 0.09 -0.37 0.00 3.57 -1.13 -0.23 116.94 119.65 2wpa h PHE 117 Ca 0.34 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.92 2wpa h PHE 117 Cb 0.22 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.85 2wpa h PHE 117 CO -0.06 0.18 -0.29 0.00 -2.23 0.00 0.00 178.31 175.91 2wpa h HIS 119 N -0.23 0.91 0.00 0.00 3.86 -0.87 -0.40 115.15 118.42 2wpa h HIS 119 Ca 0.17 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2wpa h HIS 119 Cb 0.51 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2wpa h HIS 119 CO -0.50 0.98 0.00 -1.13 0.86 0.00 0.00 177.93 178.14 2wpa n SER 120 N -4.27 0.00 -1.01 2.45 3.41 -0.12 -1.09 113.62 113.00 2wpa n SER 120 Ca -0.02 -0.04 -0.02 0.00 -0.26 0.00 0.00 58.87 58.52 2wpa n SER 120 Cb 0.42 -0.21 0.18 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.21 0.78 -4.35 7.33 8.25 -0.31 -4.99 115.22 120.73 2wpa n HIS 121 Ca 0.07 -1.67 -0.39 0.00 -0.26 0.00 0.00 57.72 55.47 2wpa n HIS 121 Cb 0.09 -0.36 -0.05 0.00 1.12 0.00 0.00 29.99 30.79 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 -1.06 -2.00 -4.64 -0.41 -4.01 -0.25 -4.92 116.66 99.38 2wpa n ARG 122 Ca 0.28 0.26 -0.33 0.00 -1.04 0.00 0.00 57.85 57.01 2wpa n ARG 122 Cb 0.83 -4.92 -0.14 0.00 -3.04 0.00 0.00 32.46 25.19 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 -3.24 3.17 -0.16 8.89 1.01 -0.34 -0.46 120.40 129.26 2wpa s VAL 123 Ca 0.78 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 2wpa s VAL 123 Cb -0.44 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 2wpa s VAL 123 CO 0.96 0.51 0.16 -0.76 0.00 0.00 0.00 175.10 175.97 2wpa s LEU 124 N 0.47 4.29 -0.11 3.92 1.43 -0.20 -3.67 118.68 124.81 2wpa s LEU 124 Ca -0.08 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.24 2wpa s LEU 124 Cb -0.15 -2.13 -0.13 0.00 0.03 0.00 0.00 46.19 43.81 2wpa s LEU 124 CO 0.04 0.26 0.41 -0.74 0.23 0.00 0.00 176.35 176.56 2wpa h HIS 125 N 5.98 -0.02 0.00 0.29 -0.00 -1.90 -1.50 115.15 118.00 2wpa h HIS 125 Ca -0.46 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2wpa h HIS 125 Cb 1.18 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 2wpa h HIS 125 CO 0.65 0.47 0.00 0.54 -0.00 0.00 0.00 177.93 179.59 2wpa n ARG 126 N -4.71 0.00 -2.79 5.26 1.74 -1.26 -3.39 116.66 111.51 2wpa n ARG 126 Ca -0.05 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.01 2wpa n ARG 126 Cb 0.24 -2.35 0.06 0.00 -1.02 0.00 0.00 32.46 29.39 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 0.97 -4.58 0.55 2.03 -1.26 -3.32 116.55 110.94 2wpa n ASP 127 Ca 0.00 -2.16 -0.41 0.00 0.52 0.00 0.00 54.79 52.74 2wpa n ASP 127 Cb 0.00 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.11 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 -3.75 3.43 0.03 -2.67 1.43 -1.26 -4.84 118.68 111.05 2wpa s LEU 128 Ca 0.24 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 2wpa s LEU 128 Cb 0.36 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 2wpa s LEU 128 CO -0.04 -1.83 -0.03 -1.59 0.23 0.00 0.00 176.35 173.09 2wpa s LYS 129 N 5.84 0.44 0.43 1.70 -2.85 -1.26 -4.78 119.74 119.26 2wpa s LYS 129 Ca 0.65 -0.86 0.25 0.00 -1.00 0.00 0.00 55.97 55.02 2wpa s LYS 129 Cb -0.15 0.15 1.29 0.00 -2.06 0.00 0.00 37.83 37.07 2wpa s LYS 129 CO 0.28 -0.08 1.70 -1.35 0.10 0.00 0.00 175.35 176.00 2wpa h PRO 130 N 4.02 0.21 0.00 1.78 0.11 -1.94 0.40 132.00 136.57 2wpa h PRO 130 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 2wpa h PRO 130 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2wpa h PRO 130 CO 0.51 0.14 -0.04 0.37 -0.21 0.00 0.00 178.00 178.78 2wpa h GLN 131 N 0.22 0.00 -0.61 1.05 4.15 -1.94 -2.38 115.11 115.60 2wpa h GLN 131 Ca 0.71 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.13 2wpa h GLN 131 Cb 2.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.78 2wpa h GLN 131 CO -0.34 0.04 0.00 0.09 -1.93 0.00 0.00 178.83 176.69 2wpa n ASN 132 N -3.19 3.78 -4.37 -0.69 3.02 0.14 -4.82 115.26 109.13 2wpa n ASN 132 Ca -0.01 -2.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.18 2wpa n ASN 132 Cb 0.26 -0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.20 3.48 -0.05 3.41 1.43 -0.93 -1.07 118.68 123.75 2wpa s LEU 133 Ca 0.45 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2wpa s LEU 133 Cb 0.25 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2wpa s LEU 133 CO 0.33 -0.10 0.01 -0.76 0.23 0.00 0.00 176.35 176.06 2wpa s LEU 134 N 1.53 3.58 0.09 1.79 1.43 -0.53 -0.99 118.68 125.57 2wpa s LEU 134 Ca 0.05 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 2wpa s LEU 134 Cb -0.16 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2wpa s LEU 134 CO 0.01 0.34 -0.11 0.27 0.23 0.00 0.00 176.35 177.09 2wpa s ILE 135 N -0.97 1.01 0.31 -0.59 -4.36 0.23 -0.91 121.20 115.92 2wpa s ILE 135 Ca 0.16 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 2wpa s ILE 135 Cb -0.11 -1.30 -0.00 0.00 1.25 0.00 0.00 42.46 42.30 2wpa s ILE 135 CO 0.06 -0.47 0.01 -0.46 0.24 0.00 0.00 174.94 174.32 2wpa n ASN 136 N 0.72 2.65 0.19 4.36 0.23 -1.12 -1.80 115.26 120.50 2wpa n ASN 136 Ca -0.17 -2.41 0.08 0.00 -0.53 0.00 0.00 54.58 51.55 2wpa n ASN 136 Cb 0.57 0.28 0.20 0.00 -2.08 0.00 0.00 39.78 38.75 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 1.20 0.49 0.00 5.53 1.35 -1.94 -3.20 112.91 116.33 2wpa h THR 137 Ca -0.26 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 2wpa h THR 137 Cb 0.80 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 2wpa h THR 137 CO 0.43 0.26 -0.00 -0.62 -0.25 0.00 0.00 175.52 175.33 2wpa n GLU 138 N -3.21 0.25 0.00 4.72 1.02 -1.26 -4.45 120.64 117.70 2wpa n GLU 138 Ca 0.02 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2wpa n GLU 138 Cb 0.58 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2wpa n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wpa n GLY 139 N 1.32 1.32 3.88 0.62 0.00 -1.21 -4.65 105.19 106.47 2wpa n GLY 139 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 0.02 4.61 0.00 -1.26 -4.87 121.76 121.72 2wpa s ALA 140 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.74 2wpa s ALA 140 Cb 0.00 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 2wpa s ALA 140 CO 0.00 0.24 -0.13 -1.50 0.00 0.00 0.00 175.76 174.37 2wpa s ILE 141 N -2.10 1.02 0.01 0.00 2.07 -1.26 -2.79 121.20 118.15 2wpa s ILE 141 Ca 0.49 -0.80 0.02 0.00 -1.41 0.00 0.00 60.65 58.95 2wpa s ILE 141 Cb -0.11 -0.90 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 2wpa s ILE 141 CO 0.26 0.10 -0.05 -0.54 -1.91 0.00 0.00 174.94 172.79 2wpa s LYS 142 N -0.80 0.41 0.13 3.50 1.02 -0.09 -4.62 119.74 119.29 2wpa s LYS 142 Ca 0.02 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.39 2wpa s LYS 142 Cb -0.07 -0.33 -0.07 0.00 -0.52 0.00 0.00 37.83 36.84 2wpa s LYS 142 CO 0.01 0.08 1.17 -0.51 -0.92 0.00 0.00 175.35 175.18 2wpa s LEU 143 N -0.51 4.43 0.34 3.17 1.43 0.18 -1.46 118.68 126.26 2wpa s LEU 143 Ca -0.02 2.10 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 2wpa s LEU 143 Cb -0.04 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 2wpa s LEU 143 CO -0.00 -0.37 0.18 0.00 0.23 0.00 0.00 176.35 176.39 2wpa s ALA 144 N 0.37 2.20 -0.30 4.21 0.00 -0.23 -1.88 121.76 126.13 2wpa s ALA 144 Ca 0.54 -1.69 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 2wpa s ALA 144 Cb -0.30 1.12 0.00 0.00 0.00 0.00 0.00 23.12 23.94 2wpa s ALA 144 CO 0.33 -0.50 0.08 -3.47 0.00 0.00 0.00 175.76 172.20 2wpa n ASP 145 N -1.18 -7.89 -1.53 0.00 -0.08 -1.26 -4.80 116.55 99.81 2wpa n ASP 145 Ca 0.01 1.23 -0.08 0.00 -1.51 0.00 0.00 54.79 54.43 2wpa n ASP 145 Cb 0.64 -5.00 0.21 0.00 2.34 0.00 0.00 41.12 39.32 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 0.63 1.78 0.23 -0.67 3.01 -1.26 -4.61 117.46 116.58 2wpa n PHE 146 Ca 0.01 -1.54 0.07 0.00 1.01 0.00 0.00 57.45 57.01 2wpa n PHE 146 Cb 0.11 -0.62 0.57 0.00 -0.01 0.00 0.00 39.48 39.52 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 1.29 0.00 -2.13 1.37 0.00 -1.93 -2.43 103.07 99.24 2wpa h GLY 147 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2wpa h GLY 147 CO 0.61 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.19 2wpa n LEU 148 N -4.09 3.45 -4.80 3.11 4.77 -1.26 -4.51 117.00 113.67 2wpa n LEU 148 Ca -0.02 -1.80 -0.33 0.00 -0.03 0.00 0.00 56.01 53.83 2wpa n LEU 148 Cb 0.25 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2wpa n LEU 148 CO 0.34 0.82 0.72 0.00 -1.33 0.00 0.00 177.39 177.95 2wpa s ALA 149 N -1.13 2.67 -0.09 -1.18 0.00 -0.92 -4.72 121.76 116.40 2wpa s ALA 149 Ca 0.38 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 2wpa s ALA 149 Cb 0.20 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 20.11 2wpa s ALA 149 CO 0.27 -0.97 0.21 1.03 0.00 0.00 0.00 175.76 176.30 2wpa s ARG 150 N -4.19 0.19 0.34 0.00 1.81 -0.56 -4.88 118.95 111.66 2wpa s ARG 150 Ca 0.64 0.40 -0.28 0.00 -1.72 0.00 0.00 55.73 54.78 2wpa s ARG 150 Cb -0.17 -0.05 -0.09 0.00 -0.45 0.00 0.00 34.95 34.19 2wpa s ARG 150 CO 0.40 -0.11 1.20 0.00 -0.68 0.00 0.00 175.30 176.10 2wpa s ALA 151 N 0.82 3.34 -0.24 2.13 0.00 -1.26 -1.04 121.76 125.52 2wpa s ALA 151 Ca -0.06 1.05 0.14 0.00 0.00 0.00 0.00 51.96 53.09 2wpa s ALA 151 Cb -0.07 -3.40 0.47 0.00 0.00 0.00 0.00 23.12 20.11 2wpa s ALA 151 CO -0.05 -0.46 1.17 1.97 0.00 0.00 0.00 175.76 178.39 2wpa n PHE 152 N 0.64 1.60 0.21 0.00 -1.74 0.39 -4.70 117.46 113.85 2wpa n PHE 152 Ca 0.01 -1.91 0.13 0.00 -0.56 0.00 0.00 57.45 55.13 2wpa n PHE 152 Cb 0.44 -0.27 0.74 0.00 1.52 0.00 0.00 39.48 41.91 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 2.00 0.00 -4.92 4.97 0.00 -1.95 -3.37 103.07 99.81 2wpa h GLY 153 Ca 0.10 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.74 2wpa h GLY 153 CO 0.40 0.00 -0.82 0.14 0.00 0.00 0.00 176.54 176.26 2wpa s VAL 154 N -4.89 2.61 0.32 4.60 1.01 -1.26 -5.11 120.40 117.68 2wpa s VAL 154 Ca -0.05 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 2wpa s VAL 154 Cb 0.17 -1.99 -0.12 0.00 0.00 0.00 0.00 36.38 34.43 2wpa s VAL 154 CO 0.63 0.58 1.40 -0.81 0.00 0.00 0.00 175.10 176.90 2wpa n PRO 155 N 2.59 2.31 -3.44 2.72 -0.04 -1.26 -4.97 135.00 132.91 2wpa n PRO 155 Ca -0.17 0.81 -0.37 0.00 -0.04 0.00 0.00 63.50 63.73 2wpa n PRO 155 Cb 0.52 -2.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.44 2wpa n PRO 155 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wpa s VAL 156 N -0.73 5.24 0.37 0.52 1.01 -1.26 -5.04 120.40 120.50 2wpa s VAL 156 Ca 0.59 0.66 -0.05 0.00 0.00 0.00 0.00 61.98 63.17 2wpa s VAL 156 Cb -0.55 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2wpa s VAL 156 CO 0.58 0.30 0.65 -0.13 0.00 0.00 0.00 175.10 176.51 2wpa s ARG 157 N 0.98 3.62 -0.07 2.72 0.52 -1.26 -1.33 118.95 124.12 2wpa s ARG 157 Ca 0.18 0.10 -0.30 0.00 -0.52 0.00 0.00 55.73 55.19 2wpa s ARG 157 Cb -0.14 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 2wpa s ARG 157 CO 0.07 0.05 1.03 0.99 0.02 0.00 0.00 175.30 177.46 2wpa s THR 158 N -2.33 4.72 -0.10 0.02 2.01 -0.90 -4.79 115.64 114.26 2wpa s THR 158 Ca 0.46 1.98 -0.02 0.00 0.31 0.00 0.00 61.69 64.41 2wpa s THR 158 Cb -0.10 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 2wpa s THR 158 CO 0.35 0.04 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.82 2wpa s TYR 159 N 1.81 3.08 0.15 4.92 5.04 -1.26 -5.03 117.35 126.06 2wpa s TYR 159 Ca 0.50 0.04 -0.15 0.00 -2.44 0.00 0.00 57.07 55.02 2wpa s TYR 159 Cb -0.20 -1.83 0.02 0.00 0.35 0.00 0.00 41.96 40.31 2wpa s TYR 159 CO 0.21 0.31 1.73 1.15 -1.34 0.00 0.00 175.55 177.61 2wpa h THR 160 N 4.44 1.18 0.12 4.34 2.02 -2.03 -3.34 112.91 119.65 2wpa h THR 160 Ca -0.45 -0.52 -0.16 0.00 0.77 0.00 0.00 66.41 66.06 2wpa h THR 160 Cb 1.19 0.68 0.02 0.00 -1.74 0.00 0.00 68.15 68.29 2wpa h THR 160 CO 0.57 0.20 -0.68 0.45 0.37 0.00 0.00 175.52 176.43 2wpa h HIS 161 N 0.60 0.46 -0.97 3.16 3.86 -2.04 -3.40 115.15 116.83 2wpa h HIS 161 Ca 0.16 -0.33 -0.72 0.00 -1.16 0.00 0.00 60.37 58.32 2wpa h HIS 161 Cb 0.11 -0.02 -0.10 0.00 1.06 0.00 0.00 27.41 28.46 2wpa h HIS 161 CO -0.01 1.26 2.30 0.39 0.86 0.00 0.00 177.93 182.73 2wpa n GLU 162 N -4.20 3.23 -4.21 2.45 1.02 -1.25 -4.94 120.64 112.73 2wpa n GLU 162 Ca -0.13 -3.24 -0.17 0.00 -0.02 0.00 0.00 57.16 53.60 2wpa n GLU 162 Cb 0.77 -3.20 -0.11 0.00 -0.02 0.00 0.00 31.44 28.87 2wpa n GLU 162 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2wpa s VAL 163 N 2.43 1.18 0.33 2.62 -7.23 -1.26 -4.69 120.40 113.77 2wpa s VAL 163 Ca 0.46 -1.64 -0.26 0.00 -1.81 0.00 0.00 61.98 58.73 2wpa s VAL 163 Cb 0.07 -1.41 -0.13 0.00 0.56 0.00 0.00 36.38 35.46 2wpa s VAL 163 CO -0.01 -0.43 0.88 0.52 -0.31 0.00 0.00 175.10 175.75 2wpa n VAL 164 N 0.64 2.03 -1.23 1.32 0.31 -1.21 -4.93 118.33 115.26 2wpa n VAL 164 Ca -0.16 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.31 2wpa n VAL 164 Cb 0.57 -0.85 0.08 0.00 -0.91 0.00 0.00 33.84 32.73 2wpa n VAL 164 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2wpa n THR 165 N -0.11 1.77 -0.21 2.52 5.66 -1.26 -4.73 114.28 117.91 2wpa n THR 165 Ca 0.11 -0.37 0.01 0.00 -3.05 0.00 0.00 64.05 60.75 2wpa n THR 165 Cb 0.34 -0.79 0.12 0.00 -1.55 0.00 0.00 70.33 68.45 2wpa n THR 165 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2wpa h LEU 166 N -0.47 0.18 -2.36 1.09 5.85 -1.96 -2.70 115.31 114.95 2wpa h LEU 166 Ca -0.46 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 2wpa h LEU 166 Cb 1.34 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 2wpa h LEU 166 CO 0.43 0.10 -0.01 -0.50 -0.34 0.00 0.00 178.44 178.11 2wpa h TRP 167 N 0.37 0.00 -0.21 1.25 4.06 -1.89 -2.47 115.95 117.06 2wpa h TRP 167 Ca 0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.28 2wpa h TRP 167 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.61 2wpa h TRP 167 CO -0.19 0.01 0.00 0.66 -3.56 0.00 0.00 178.44 175.37 2wpa n TYR 168 N -3.18 0.28 -2.68 0.49 4.01 -1.02 -4.62 117.16 110.43 2wpa n TYR 168 Ca -0.02 -0.38 -0.43 0.00 -0.16 0.00 0.00 57.90 56.92 2wpa n TYR 168 Cb 0.17 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.94 4.40 0.54 -0.72 3.52 -0.93 -4.11 118.95 120.71 2wpa s ARG 169 Ca 0.16 1.39 -0.22 0.00 -0.13 0.00 0.00 55.73 56.93 2wpa s ARG 169 Cb 0.09 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 2wpa s ARG 169 CO 0.12 -0.35 1.34 0.00 -0.81 0.00 0.00 175.30 175.60 2wpa n ALA 170 N 5.15 1.54 -0.25 6.12 0.00 -1.26 -4.89 120.51 126.93 2wpa n ALA 170 Ca 0.09 0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.69 2wpa n ALA 170 Cb 0.48 -2.34 0.25 0.00 0.00 0.00 0.00 19.45 17.84 2wpa n ALA 170 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2wpa h PRO 171 N 1.49 0.99 -0.83 0.00 0.13 -1.95 -2.22 132.00 129.61 2wpa h PRO 171 Ca -0.51 -0.06 0.15 0.00 -0.87 0.00 0.00 66.00 64.71 2wpa h PRO 171 Cb 1.30 -0.22 -0.10 0.00 0.13 0.00 0.00 31.00 32.11 2wpa h PRO 171 CO 0.57 0.66 0.40 0.93 -0.23 0.00 0.00 178.00 180.33 2wpa h GLU 172 N 1.02 0.54 -0.11 0.86 3.07 -1.92 0.99 114.58 119.04 2wpa h GLU 172 Ca 0.31 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.12 2wpa h GLU 172 Cb -0.01 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 2wpa h GLU 172 CO -0.09 0.36 -0.02 0.82 -1.40 0.00 0.00 179.01 178.69 2wpa h ILE 173 N 0.56 1.28 -0.93 3.13 2.04 -1.77 -1.65 117.51 120.17 2wpa h ILE 173 Ca 0.46 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.50 2wpa h ILE 173 Cb 0.67 1.67 -0.07 0.00 -0.74 0.00 0.00 36.82 38.35 2wpa h ILE 173 CO -0.38 0.26 0.60 -0.07 0.00 0.00 0.00 178.15 178.55 2wpa h LEU 174 N -0.11 0.88 -0.16 1.44 3.38 -1.21 -1.61 115.31 117.93 2wpa h LEU 174 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wpa h LEU 174 Cb 0.41 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2wpa h LEU 174 CO 0.01 0.53 0.00 0.18 0.09 0.00 0.00 178.44 179.25 2wpa n LEU 175 N -4.53 0.25 0.00 1.67 4.77 0.30 -4.82 117.00 114.64 2wpa n LEU 175 Ca 0.15 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2wpa n LEU 175 Cb 0.27 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2wpa n LEU 175 CO 0.31 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2wpa n GLY 176 N 0.99 0.95 3.57 -0.72 0.00 -0.60 -1.90 105.19 107.47 2wpa n GLY 176 Ca 0.21 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.22 0.08 -6.57 0.00 3.64 -1.97 -3.44 116.57 106.09 2wpa h LYS 178 Ca -0.51 -0.14 -0.68 0.00 -1.27 0.00 0.00 60.65 58.05 2wpa h LYS 178 Cb 1.30 0.05 -0.22 0.00 -0.41 0.00 0.00 32.23 32.95 2wpa h LYS 178 CO 0.44 1.07 -0.80 0.71 -2.27 0.00 0.00 179.45 178.59 2wpa s TYR 179 N -2.35 2.57 0.54 1.91 2.02 -1.26 -2.13 117.35 118.65 2wpa s TYR 179 Ca -0.23 -0.25 -0.19 0.00 -0.37 0.00 0.00 57.07 56.03 2wpa s TYR 179 Cb 0.02 -1.47 -0.06 0.00 -0.40 0.00 0.00 41.96 40.06 2wpa s TYR 179 CO 0.68 0.26 1.11 0.71 -1.57 0.00 0.00 175.55 176.74 2wpa s TYR 180 N -0.93 2.73 0.35 2.71 1.51 -0.44 -4.94 117.35 118.33 2wpa s TYR 180 Ca 0.15 1.55 0.03 0.00 -1.01 0.00 0.00 57.07 57.79 2wpa s TYR 180 Cb -0.11 -3.24 -0.04 0.00 -0.11 0.00 0.00 41.96 38.46 2wpa s TYR 180 CO 0.05 -1.45 0.10 -1.54 -1.11 0.00 0.00 175.55 171.61 2wpa s SER 181 N -1.85 2.31 0.61 2.29 1.04 -1.26 -4.52 113.70 112.32 2wpa s SER 181 Ca 0.71 -1.52 0.30 0.00 0.48 0.00 0.00 55.95 55.92 2wpa s SER 181 Cb -0.22 0.25 1.69 0.00 0.10 0.00 0.00 66.02 67.84 2wpa s SER 181 CO 0.26 -0.79 2.07 0.71 0.98 0.00 0.00 173.24 176.48 2wpa h THR 182 N 2.02 0.36 -0.11 2.02 1.35 -1.97 -2.52 112.91 114.05 2wpa h THR 182 Ca -0.37 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.52 2wpa h THR 182 Cb 1.26 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2wpa h THR 182 CO 0.61 0.00 0.12 0.00 -0.25 0.00 0.00 175.52 176.00 2wpa h ALA 183 N 1.69 1.76 0.00 6.62 0.00 -1.94 -1.91 119.26 125.49 2wpa h ALA 183 Ca 0.08 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2wpa h ALA 183 Cb 0.56 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2wpa h ALA 183 CO -0.00 -0.18 -0.50 -0.39 0.00 0.00 0.00 179.25 178.19 2wpa h VAL 184 N 0.00 1.14 -0.18 0.00 -1.51 -1.85 -2.10 116.25 111.75 2wpa h VAL 184 Ca 0.05 -1.84 -0.21 0.00 -1.23 0.00 0.00 66.70 63.47 2wpa h VAL 184 Cb 0.29 2.05 0.01 0.00 -2.13 0.00 0.00 31.29 31.51 2wpa h VAL 184 CO -0.00 0.49 -0.72 0.44 -1.23 0.00 0.00 177.57 176.55 2wpa h ASP 185 N 0.00 0.91 -0.57 4.19 3.32 -1.55 -2.92 116.42 119.80 2wpa h ASP 185 Ca -0.00 -0.57 -0.07 0.00 0.02 0.00 0.00 57.03 56.41 2wpa h ASP 185 Cb 1.01 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 2wpa h ASP 185 CO 0.06 1.37 0.11 0.40 -1.72 0.00 0.00 179.24 179.46 2wpa h ILE 186 N 0.55 1.25 -0.53 0.35 1.08 -1.49 -1.95 117.51 116.77 2wpa h ILE 186 Ca -0.04 -0.96 0.04 0.00 -0.39 0.00 0.00 64.86 63.51 2wpa h ILE 186 Cb 1.34 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.72 2wpa h ILE 186 CO 0.15 0.36 0.29 -0.25 -0.69 0.00 0.00 178.15 178.01 2wpa h TRP 187 N 0.92 0.53 -0.39 1.37 2.91 -1.39 -0.92 115.95 118.99 2wpa h TRP 187 Ca 0.19 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.23 2wpa h TRP 187 Cb 0.39 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.86 2wpa h TRP 187 CO 0.03 0.28 0.24 0.77 -1.03 0.00 0.00 178.44 178.72 2wpa h SER 188 N 0.56 0.47 -0.50 2.65 0.02 -1.27 -1.89 113.55 113.60 2wpa h SER 188 Ca 0.23 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2wpa h SER 188 Cb 0.10 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2wpa h SER 188 CO -0.14 0.38 0.24 -0.07 -1.14 0.00 0.00 176.83 176.11 2wpa h LEU 189 N 0.51 0.69 -0.61 5.07 4.07 -1.09 -2.05 115.31 121.91 2wpa h LEU 189 Ca 0.14 -0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 2wpa h LEU 189 Cb -0.00 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 2wpa h LEU 189 CO -0.03 0.61 0.05 1.23 -1.08 0.00 0.00 178.44 179.22 2wpa h GLY 190 N 0.88 1.12 1.25 0.83 0.00 -0.75 -0.55 103.07 105.86 2wpa h GLY 190 Ca 0.19 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2wpa h GLY 190 CO -0.02 0.73 0.48 0.00 0.00 0.00 0.00 176.54 177.72 2wpa h ILE 192 N 1.02 1.34 -0.37 0.00 2.04 -0.93 -1.97 117.51 118.64 2wpa h ILE 192 Ca 0.27 -2.33 0.06 0.00 1.00 0.00 0.00 64.86 63.87 2wpa h ILE 192 Cb -0.09 2.37 -0.06 0.00 -0.74 0.00 0.00 36.82 38.31 2wpa h ILE 192 CO -0.06 0.71 0.03 0.15 0.00 0.00 0.00 178.15 178.98 2wpa h PHE 193 N 0.32 0.03 -0.54 1.37 3.57 -0.95 -0.89 116.94 119.85 2wpa h PHE 193 Ca -0.10 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 2wpa h PHE 193 Cb 1.61 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.37 2wpa h PHE 193 CO 0.08 -0.04 0.19 0.00 -2.23 0.00 0.00 178.31 176.31 2wpa h ALA 194 N 1.31 0.71 -0.49 2.41 0.00 -1.23 -2.31 119.26 119.65 2wpa h ALA 194 Ca 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2wpa h ALA 194 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2wpa h ALA 194 CO -0.28 0.35 0.19 1.49 0.00 0.00 0.00 179.25 181.00 2wpa h GLU 195 N 0.74 0.74 -0.95 0.00 4.81 -1.14 -0.81 114.58 117.97 2wpa h GLU 195 Ca 0.18 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2wpa h GLU 195 Cb 0.25 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 2wpa h GLU 195 CO -0.01 0.67 0.62 0.52 -0.73 0.00 0.00 179.01 180.08 2wpa h MET 196 N 0.66 1.14 -0.12 1.92 2.86 -1.01 0.22 114.93 120.59 2wpa h MET 196 Ca 0.16 -0.07 -0.22 0.00 -2.06 0.00 0.00 59.70 57.52 2wpa h MET 196 Cb 0.21 -0.26 0.01 0.00 0.06 0.00 0.00 31.60 31.62 2wpa h MET 196 CO -0.01 0.76 -0.79 0.28 1.06 0.00 0.00 176.91 178.20 2wpa h VAL 197 N 1.18 1.30 0.00 -2.22 2.07 -0.92 -3.37 116.25 114.29 2wpa h VAL 197 Ca 0.38 -2.05 -0.10 0.00 0.82 0.00 0.00 66.70 65.76 2wpa h VAL 197 Cb 0.04 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2wpa h VAL 197 CO -0.12 0.64 -2.04 0.35 0.02 0.00 0.00 177.57 176.41 2wpa n THR 198 N -3.90 0.37 -1.05 2.57 -2.24 -0.36 -4.88 114.28 104.79 2wpa n THR 198 Ca -0.07 -0.56 -0.02 0.00 -2.27 0.00 0.00 64.05 61.13 2wpa n THR 198 Cb 0.75 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.35 -0.25 -4.09 -0.78 1.74 0.06 -5.04 116.66 105.95 2wpa n ARG 199 Ca -0.11 0.37 -0.13 0.00 -0.77 0.00 0.00 57.85 57.20 2wpa n ARG 199 Cb 0.70 -3.81 -0.11 0.00 -1.02 0.00 0.00 32.46 28.22 2wpa n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2wpa s ARG 200 N -1.37 0.59 0.42 5.56 1.70 -1.24 -5.06 118.95 119.56 2wpa s ARG 200 Ca 0.00 -0.86 -0.26 0.00 -0.47 0.00 0.00 55.73 54.14 2wpa s ARG 200 Cb 0.00 -0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 33.98 2wpa s ARG 200 CO 0.00 0.05 1.36 0.00 -1.08 0.00 0.00 175.30 175.63 2wpa s ALA 201 N -1.73 3.26 0.07 7.88 0.00 -1.26 -4.01 121.76 125.97 2wpa s ALA 201 Ca -0.06 1.34 -0.17 0.00 0.00 0.00 0.00 51.96 53.07 2wpa s ALA 201 Cb -0.08 -3.53 -0.13 0.00 0.00 0.00 0.00 23.12 19.38 2wpa s ALA 201 CO -0.00 -0.98 1.34 1.25 0.00 0.00 0.00 175.76 177.37 2wpa h LEU 202 N 2.54 0.61 -6.04 0.00 6.46 -1.92 -3.39 115.31 113.58 2wpa h LEU 202 Ca -0.50 -0.52 -0.56 0.00 -0.12 0.00 0.00 57.88 56.17 2wpa h LEU 202 Cb 1.25 -0.17 -0.39 0.00 -0.73 0.00 0.00 40.66 40.62 2wpa h LEU 202 CO 0.62 1.02 -1.06 0.49 -0.62 0.00 0.00 178.44 178.89 2wpa n PHE 203 N -4.33 -0.03 -2.64 1.25 3.72 -1.26 -4.99 117.46 109.17 2wpa n PHE 203 Ca -0.06 -3.60 -0.42 0.00 -0.05 0.00 0.00 57.45 53.32 2wpa n PHE 203 Cb 0.48 -0.34 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 2wpa n PHE 203 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2wpa s PRO 204 N -1.24 3.80 0.49 -1.08 0.04 -1.26 -4.54 135.00 131.21 2wpa s PRO 204 Ca 0.35 -1.68 -0.16 0.00 0.04 0.00 0.00 61.00 59.55 2wpa s PRO 204 Cb 0.16 -5.36 -0.08 0.00 0.04 0.00 0.00 34.50 29.26 2wpa s PRO 204 CO -0.11 -2.15 0.95 0.20 0.04 0.00 0.00 177.00 175.94 2wpa s GLY 205 N 4.34 2.07 0.04 0.56 0.00 -1.26 -4.97 107.32 108.10 2wpa s GLY 205 Ca 0.48 0.14 0.14 0.00 0.00 0.00 0.00 44.72 45.48 2wpa s GLY 205 CO -0.02 0.41 0.85 -0.55 0.00 0.00 0.00 173.10 173.79 2wpa h ASP 206 N 1.03 0.00 -5.21 1.64 3.32 -1.93 -3.46 116.42 111.80 2wpa h ASP 206 Ca -0.47 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.47 2wpa h ASP 206 Cb 1.18 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 2wpa h ASP 206 CO 0.62 0.77 0.06 -0.94 -1.72 0.00 0.00 179.24 178.03 2wpa s SER 207 N -6.03 0.30 0.13 6.45 1.04 -1.26 -5.01 113.70 109.32 2wpa s SER 207 Ca -0.03 -1.20 -0.19 0.00 0.48 0.00 0.00 55.95 55.02 2wpa s SER 207 Cb 0.08 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.94 2wpa s SER 207 CO 0.81 -1.46 1.73 -0.33 0.98 0.00 0.00 173.24 174.97 2wpa h GLU 208 N 2.07 0.12 -0.37 4.02 5.08 -1.99 0.21 114.58 123.71 2wpa h GLU 208 Ca -0.29 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 57.94 2wpa h GLU 208 Cb 1.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2wpa h GLU 208 CO 0.38 0.08 -0.26 0.97 -1.00 0.00 0.00 179.01 179.17 2wpa h ILE 209 N 0.12 1.27 -0.46 3.13 6.09 -1.97 -2.36 117.51 123.33 2wpa h ILE 209 Ca 0.11 -1.39 -0.10 0.00 -1.37 0.00 0.00 64.86 62.11 2wpa h ILE 209 Cb 0.12 1.28 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 2wpa h ILE 209 CO -0.16 0.46 -0.12 -0.78 -3.07 0.00 0.00 178.15 174.48 2wpa h ASP 210 N 0.65 0.85 -0.52 2.19 3.58 -1.88 -1.94 116.42 119.36 2wpa h ASP 210 Ca 0.08 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 2wpa h ASP 210 Cb 0.78 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2wpa h ASP 210 CO 0.06 0.98 0.26 -0.61 -2.88 0.00 0.00 179.24 177.06 2wpa h GLN 211 N 0.77 0.73 -0.21 0.28 5.75 -0.36 -0.30 115.11 121.77 2wpa h GLN 211 Ca 0.12 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2wpa h GLN 211 Cb 0.63 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 2wpa h GLN 211 CO 0.04 0.59 0.09 -0.07 -2.65 0.00 0.00 178.83 176.83 2wpa h LEU 212 N 0.69 0.12 -0.85 -2.39 3.38 -1.32 -1.62 115.31 113.32 2wpa h LEU 212 Ca 0.18 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 2wpa h LEU 212 Cb 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2wpa h LEU 212 CO -0.03 0.10 -0.43 -0.26 0.09 0.00 0.00 178.44 177.91 2wpa h PHE 213 N 0.20 0.37 -0.79 1.13 0.04 -1.05 0.26 116.94 117.11 2wpa h PHE 213 Ca 0.09 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2wpa h PHE 213 Cb 0.04 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 2wpa h PHE 213 CO -0.11 0.70 0.30 0.00 -0.60 0.00 0.00 178.31 178.60 2wpa h ARG 214 N 0.26 1.18 -0.11 1.51 3.08 -0.96 0.72 114.38 120.06 2wpa h ARG 214 Ca 0.02 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 2wpa h ARG 214 Cb 0.87 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 2wpa h ARG 214 CO 0.07 0.96 0.01 0.82 -1.07 0.00 0.00 179.97 180.76 2wpa h ILE 215 N 1.15 1.23 -0.95 2.04 2.04 -0.39 -2.60 117.51 120.02 2wpa h ILE 215 Ca 0.26 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.46 2wpa h ILE 215 Cb 0.23 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 2wpa h ILE 215 CO -0.02 0.21 0.60 -0.26 0.00 0.00 0.00 178.15 178.68 2wpa h PHE 216 N -0.06 1.12 -0.08 1.37 0.04 -0.35 0.33 116.94 119.32 2wpa h PHE 216 Ca 0.03 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.75 2wpa h PHE 216 Cb 0.31 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 2wpa h PHE 216 CO 0.02 0.58 -0.34 -0.09 -0.60 0.00 0.00 178.31 177.88 2wpa h ARG 217 N 1.11 0.15 0.01 1.51 2.43 -0.82 0.25 114.38 119.02 2wpa h ARG 217 Ca 0.41 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.38 2wpa h ARG 217 Cb 0.15 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2wpa h ARG 217 CO -0.17 0.48 -0.77 1.15 -1.51 0.00 0.00 179.97 179.16 2wpa h THR 218 N 0.13 1.28 -0.00 0.20 2.02 -0.95 -3.40 112.91 112.19 2wpa h THR 218 Ca 0.02 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.93 2wpa h THR 218 Cb 0.68 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 2wpa h THR 218 CO 0.05 0.45 -0.71 0.18 0.37 0.00 0.00 175.52 175.86 2wpa n LEU 219 N -4.47 1.18 0.00 2.58 4.77 0.11 -1.60 117.00 119.57 2wpa n LEU 219 Ca -0.23 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2wpa n LEU 219 Cb 0.62 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2wpa n LEU 219 CO 0.26 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2wpa n GLY 220 N 1.46 1.64 3.67 -0.72 0.00 0.89 -4.52 105.19 107.62 2wpa n GLY 220 Ca 0.06 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.92 3.51 0.48 2.61 2.01 -0.76 -4.61 115.64 117.97 2wpa s THR 221 Ca 0.00 0.77 -0.22 0.00 0.31 0.00 0.00 61.69 62.55 2wpa s THR 221 Cb 0.00 -3.50 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 2wpa s THR 221 CO 0.00 -0.04 1.15 -2.16 -0.69 0.00 0.00 174.62 172.89 2wpa s PRO 222 N 3.32 3.64 0.43 4.92 0.04 -1.26 -4.83 135.00 141.26 2wpa s PRO 222 Ca 0.71 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.50 2wpa s PRO 222 Cb -0.34 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 2wpa s PRO 222 CO 0.29 -0.64 0.11 0.16 0.04 0.00 0.00 177.00 176.96 2wpa s ASP 223 N -1.49 3.04 0.54 6.66 1.47 -1.26 -4.98 116.67 120.65 2wpa s ASP 223 Ca 0.66 -1.69 0.22 0.00 1.18 0.00 0.00 52.55 52.92 2wpa s ASP 223 Cb -0.27 0.54 1.48 0.00 -0.34 0.00 0.00 42.92 44.33 2wpa s ASP 223 CO 0.32 -0.94 2.18 -0.33 0.68 0.00 0.00 175.17 177.08 2wpa h GLU 224 N 1.70 0.00 0.01 2.11 4.39 -1.97 0.13 114.58 120.94 2wpa h GLU 224 Ca -0.36 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 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 0.59 0.01 -0.00 0.28 -1.16 0.00 0.00 179.01 178.73 2wpa h VAL 225 N 0.00 1.47 -0.88 3.13 2.07 -1.99 -2.78 116.25 117.28 2wpa h VAL 225 Ca -0.00 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.09 2wpa h VAL 225 Cb 0.03 2.47 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 2wpa h VAL 225 CO 0.00 0.38 0.57 0.58 0.02 0.00 0.00 177.57 179.12 2wpa h VAL 226 N -0.64 1.13 -1.77 2.57 2.07 -1.78 -3.40 116.25 114.43 2wpa h VAL 226 Ca -0.00 -0.37 -0.31 0.00 0.82 0.00 0.00 66.70 66.84 2wpa h VAL 226 Cb 0.63 -0.05 -0.29 0.00 -1.52 0.00 0.00 31.29 30.06 2wpa h VAL 226 CO 0.00 0.20 -0.64 0.86 0.02 0.00 0.00 177.57 178.01 2wpa s TRP 227 N -6.09 -0.57 0.03 1.57 -0.00 0.37 -4.54 118.94 109.71 2wpa s TRP 227 Ca -0.13 -0.61 -0.33 0.00 -0.00 0.00 0.00 56.10 55.04 2wpa s TRP 227 Cb 0.18 -0.27 -0.11 0.00 -0.00 0.00 0.00 33.47 33.26 2wpa s TRP 227 CO 0.80 -1.01 1.84 -2.30 -0.00 0.00 0.00 176.95 176.28 2wpa n PRO 228 N 4.29 2.47 0.00 5.86 -0.02 -1.05 -1.85 135.00 144.70 2wpa n PRO 228 Ca 0.11 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2wpa n PRO 228 Cb 0.47 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 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 4.24 2.62 0.30 -1.23 0.00 -1.26 -4.99 105.19 104.87 2wpa n GLY 229 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 2wpa n GLY 229 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wpa h VAL 230 N 0.00 0.61 0.00 1.61 2.07 -1.69 0.31 116.25 119.15 2wpa h VAL 230 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2wpa h VAL 230 Cb 0.00 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2wpa h VAL 230 CO 0.00 0.09 0.00 0.71 0.02 0.00 0.00 177.57 178.39 2wpa h THR 231 N 0.47 0.00 0.07 2.57 1.35 -1.94 -2.56 112.91 112.87 2wpa h THR 231 Ca 0.47 -0.59 -0.24 0.00 -0.55 0.00 0.00 66.41 65.50 2wpa h THR 231 Cb 0.78 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 2wpa h THR 231 CO -0.44 0.00 -1.10 0.28 -0.25 0.00 0.00 175.52 174.01 2wpa h SER 232 N 0.00 0.28 -3.18 5.36 0.02 -0.80 -3.47 113.55 111.76 2wpa h SER 232 Ca 0.00 -0.28 -0.58 0.00 -0.84 0.00 0.00 61.79 60.09 2wpa h SER 232 Cb 0.63 -0.09 0.16 0.00 0.14 0.00 0.00 62.40 63.24 2wpa h SER 232 CO 0.00 1.19 -0.11 0.23 -1.14 0.00 0.00 176.83 177.00 2wpa n MET 233 N -3.51 0.79 -0.03 3.45 2.81 -0.97 -4.87 117.12 114.79 2wpa n MET 233 Ca -0.05 0.30 -0.10 0.00 -1.81 0.00 0.00 57.70 56.04 2wpa n MET 233 Cb 0.96 -1.92 -0.03 0.00 -0.71 0.00 0.00 33.22 31.51 2wpa n MET 233 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 2wpa h PRO 234 N 0.56 -0.34 -0.43 0.03 0.11 -1.79 -2.27 132.00 127.87 2wpa h PRO 234 Ca -0.46 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wpa h PRO 234 Cb 1.38 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.56 2wpa h PRO 234 CO 0.50 -0.23 0.00 -0.25 -0.21 0.00 0.00 178.00 177.82 2wpa n ASP 235 N -5.41 2.80 -4.76 -2.05 8.00 -0.80 -4.89 116.55 109.44 2wpa n ASP 235 Ca -0.02 -1.94 -0.38 0.00 0.71 0.00 0.00 54.79 53.16 2wpa n ASP 235 Cb 0.32 -0.28 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.43 2.59 -0.05 1.24 6.14 -0.86 -4.93 117.35 120.05 2wpa s TYR 236 Ca 0.36 1.43 0.02 0.00 0.64 0.00 0.00 57.07 59.53 2wpa s TYR 236 Cb 0.20 -3.63 0.01 0.00 0.42 0.00 0.00 41.96 38.96 2wpa s TYR 236 CO 0.27 -2.26 -0.09 0.15 0.64 0.00 0.00 175.55 174.25 2wpa s LYS 237 N -2.70 1.30 0.57 4.97 1.02 -1.26 -4.97 119.74 118.66 2wpa s LYS 237 Ca 0.66 -0.31 0.31 0.00 0.02 0.00 0.00 55.97 56.65 2wpa s LYS 237 Cb -0.36 -1.14 1.71 0.00 -0.52 0.00 0.00 37.83 37.52 2wpa s LYS 237 CO 0.43 0.02 2.17 -1.00 -0.92 0.00 0.00 175.35 176.06 2wpa h PRO 238 N 6.88 0.00 0.00 -1.68 0.13 -1.96 -1.94 132.00 133.43 2wpa h PRO 238 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2wpa h PRO 238 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2wpa h PRO 238 CO 0.48 0.06 0.00 -1.13 -0.23 0.00 0.00 178.00 177.17 2wpa n SER 239 N -3.61 0.00 -4.75 1.44 3.41 -1.26 -4.87 113.62 103.98 2wpa n SER 239 Ca -0.02 -1.15 -0.41 0.00 -0.26 0.00 0.00 58.87 57.03 2wpa n SER 239 Cb 0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 2wpa n SER 239 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wpa s PHE 240 N -2.00 2.82 0.38 7.33 0.08 -0.73 -4.95 117.98 120.91 2wpa s PHE 240 Ca 0.27 0.92 -0.27 0.00 0.12 0.00 0.00 56.93 57.98 2wpa s PHE 240 Cb 0.12 -3.98 -0.11 0.00 -0.57 0.00 0.00 43.02 38.49 2wpa s PHE 240 CO 0.21 -3.20 1.26 -2.30 -0.10 0.00 0.00 175.22 171.09 2wpa n PRO 241 N 1.96 1.98 -3.41 0.24 -0.02 -1.26 -4.96 135.00 129.54 2wpa n PRO 241 Ca 0.07 0.70 -0.44 0.00 -2.02 0.00 0.00 63.50 61.80 2wpa n PRO 241 Cb 0.39 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 2wpa n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wpa s LYS 242 N -2.04 3.16 0.24 -0.52 1.02 -1.26 -4.82 119.74 115.51 2wpa s LYS 242 Ca 0.58 -2.20 -0.13 0.00 0.02 0.00 0.00 55.97 54.25 2wpa s LYS 242 Cb -0.54 -4.23 -0.08 0.00 -0.52 0.00 0.00 37.83 32.46 2wpa s LYS 242 CO 0.60 -1.27 0.62 -1.58 -0.92 0.00 0.00 175.35 172.80 2wpa s TRP 243 N 0.64 3.47 0.29 3.18 0.51 -1.26 -4.92 118.94 120.86 2wpa s TRP 243 Ca 0.12 1.06 -0.16 0.00 -2.12 0.00 0.00 56.10 55.01 2wpa s TRP 243 Cb -0.19 -2.40 -0.09 0.00 -0.81 0.00 0.00 33.47 29.99 2wpa s TRP 243 CO -0.04 0.26 0.73 0.00 -0.51 0.00 0.00 176.95 177.39 2wpa s ALA 244 N -1.75 3.35 0.23 0.98 0.00 -1.26 -1.83 121.76 121.47 2wpa s ALA 244 Ca 0.47 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 2wpa s ALA 244 Cb -0.12 -2.77 -0.11 0.00 0.00 0.00 0.00 23.12 20.11 2wpa s ALA 244 CO 0.20 0.34 1.61 0.50 0.00 0.00 0.00 175.76 178.41 2wpa s ARG 245 N -2.72 4.16 0.58 0.00 3.52 -1.26 -4.30 118.95 118.92 2wpa s ARG 245 Ca 0.51 2.50 -0.17 0.00 -0.13 0.00 0.00 55.73 58.44 2wpa s ARG 245 Cb -0.12 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 2wpa s ARG 245 CO 0.18 -0.64 1.07 -0.65 -0.81 0.00 0.00 175.30 174.46 2wpa s GLN 246 N 0.49 3.32 0.08 5.12 -1.52 -0.63 -4.91 119.66 121.61 2wpa s GLN 246 Ca 0.68 1.33 -0.31 0.00 -1.95 0.00 0.00 55.36 55.12 2wpa s GLN 246 Cb -0.47 -2.02 -0.10 0.00 -0.22 0.00 0.00 33.01 30.20 2wpa s GLN 246 CO 0.38 -0.83 1.91 -3.47 -0.25 0.00 0.00 175.29 173.03 2wpa n ASP 247 N -1.79 4.12 0.16 5.90 -0.08 -1.26 -4.88 116.55 118.72 2wpa n ASP 247 Ca 0.10 0.95 0.02 0.00 -1.51 0.00 0.00 54.79 54.34 2wpa n ASP 247 Cb 0.52 -1.54 0.25 0.00 2.34 0.00 0.00 41.12 42.70 2wpa n ASP 247 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2wpa h PHE 248 N 9.55 0.00 0.00 -0.67 3.57 -1.95 -1.51 116.94 125.93 2wpa h PHE 248 Ca -0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 2wpa h PHE 248 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2wpa h PHE 248 CO 0.87 0.50 0.00 -1.13 -2.23 0.00 0.00 178.31 176.32 2wpa n SER 249 N -3.70 0.40 -0.24 0.41 3.41 -1.26 -2.09 113.62 110.56 2wpa n SER 249 Ca -0.01 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 2wpa n SER 249 Cb 0.56 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 2wpa n SER 249 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wpa n LYS 250 N -1.95 0.58 -0.01 4.33 5.02 -0.58 -3.20 118.16 122.35 2wpa n LYS 250 Ca 0.02 -0.47 -0.21 0.00 -2.02 0.00 0.00 58.31 55.63 2wpa n LYS 250 Cb 0.19 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.57 2wpa n LYS 250 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wpa h VAL 251 N 1.15 1.09 -2.18 -0.18 2.07 -1.30 -3.41 116.25 113.49 2wpa h VAL 251 Ca 0.00 -2.37 -0.59 0.00 0.82 0.00 0.00 66.70 64.56 2wpa h VAL 251 Cb 0.62 2.72 -0.41 0.00 -1.52 0.00 0.00 31.29 32.69 2wpa h VAL 251 CO 0.00 0.65 -0.73 1.33 0.02 0.00 0.00 177.57 178.84 2wpa n VAL 252 N -4.04 1.47 -0.22 2.57 0.24 -1.08 -4.99 118.33 112.28 2wpa n VAL 252 Ca -0.24 -4.86 0.18 0.00 -2.04 0.00 0.00 64.34 57.37 2wpa n VAL 252 Cb 0.84 -2.06 0.50 0.00 -1.47 0.00 0.00 33.84 31.65 2wpa n VAL 252 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2wpa h PRO 253 N 4.21 0.41 0.00 7.34 0.11 -1.79 -1.87 132.00 140.42 2wpa h PRO 253 Ca 0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2wpa h PRO 253 Cb 0.73 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2wpa h PRO 253 CO 0.73 0.27 0.00 -1.35 -0.21 0.00 0.00 178.00 177.44 2wpa h PRO 254 N 0.43 0.00 -6.78 1.05 0.11 -1.90 -3.45 132.00 121.46 2wpa h PRO 254 Ca 0.44 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 66.06 2wpa h PRO 254 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2wpa h PRO 254 CO -0.16 0.00 0.30 -0.51 -0.21 0.00 0.00 178.00 177.42 2wpa s LEU 255 N -4.63 4.42 1.05 2.35 1.02 -0.70 -5.07 118.68 117.11 2wpa s LEU 255 Ca 0.06 1.79 -0.17 0.00 0.02 0.00 0.00 54.13 55.82 2wpa s LEU 255 Cb 0.10 -3.82 0.24 0.00 0.02 0.00 0.00 46.19 42.73 2wpa s LEU 255 CO 0.45 0.02 1.27 1.51 0.02 0.00 0.00 176.35 179.62 2wpa s ASP 256 N -1.50 2.32 0.25 2.29 -4.77 -1.26 -4.81 116.67 109.19 2wpa s ASP 256 Ca 0.46 0.31 -0.04 0.00 -3.30 0.00 0.00 52.55 49.98 2wpa s ASP 256 Cb -0.20 -0.36 0.36 0.00 -1.09 0.00 0.00 42.92 41.63 2wpa s ASP 256 CO 0.25 -3.23 1.87 -0.08 0.70 0.00 0.00 175.17 174.68 2wpa h GLU 257 N -1.98 1.06 -0.45 2.11 4.81 -1.99 -0.72 114.58 117.42 2wpa h GLU 257 Ca -0.44 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 2wpa h GLU 257 Cb 1.24 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 2wpa h GLU 257 CO 0.34 0.70 0.05 -0.44 -0.73 0.00 0.00 179.01 178.93 2wpa h ASP 258 N 1.09 0.74 -0.59 1.04 3.32 -1.98 -1.37 116.42 118.67 2wpa h ASP 258 Ca 0.40 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2wpa h ASP 258 Cb 0.15 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2wpa h ASP 258 CO -0.17 0.83 0.26 1.23 -1.72 0.00 0.00 179.24 179.68 2wpa h GLY 259 N 0.62 0.92 1.00 2.75 0.00 -1.86 -2.02 103.07 104.48 2wpa h GLY 259 Ca 0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2wpa h GLY 259 CO 0.01 0.45 0.39 3.21 0.00 0.00 0.00 176.54 180.60 2wpa h ARG 260 N 0.80 0.93 0.35 4.80 3.08 -0.94 -1.89 114.38 121.51 2wpa h ARG 260 Ca 0.20 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2wpa h ARG 260 Cb 0.15 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2wpa h ARG 260 CO -0.02 0.68 -0.18 1.03 -1.07 0.00 0.00 179.97 180.41 2wpa h SER 261 N 0.93 -0.43 -0.62 7.04 0.87 -1.10 -1.18 113.55 119.05 2wpa h SER 261 Ca 0.24 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.90 2wpa h SER 261 Cb 0.00 0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.01 2wpa h SER 261 CO -0.04 -0.30 0.27 0.25 -0.53 0.00 0.00 176.83 176.48 2wpa h LEU 262 N -0.48 0.33 -0.76 2.23 5.85 -1.19 -2.10 115.31 119.19 2wpa h LEU 262 Ca -0.04 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 2wpa h LEU 262 Cb 0.38 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2wpa h LEU 262 CO 0.07 0.20 -0.54 0.25 -0.34 0.00 0.00 178.44 178.08 2wpa h LEU 263 N 0.49 0.25 -0.26 2.25 5.85 -1.22 -1.40 115.31 121.26 2wpa h LEU 263 Ca 0.30 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2wpa h LEU 263 Cb 0.32 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2wpa h LEU 263 CO -0.26 0.74 0.06 0.28 -0.34 0.00 0.00 178.44 178.91 2wpa h SER 264 N 0.18 0.02 0.54 1.25 0.02 -0.65 -1.68 113.55 113.23 2wpa h SER 264 Ca 0.00 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2wpa h SER 264 Cb 1.00 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2wpa h SER 264 CO 0.08 0.05 -0.52 1.56 -1.14 0.00 0.00 176.83 176.86 2wpa h GLN 265 N 0.16 0.00 0.00 3.45 4.20 -1.14 -1.26 115.11 120.53 2wpa h GLN 265 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2wpa h GLN 265 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2wpa h GLN 265 CO -0.16 0.52 0.00 0.52 -0.67 0.00 0.00 178.83 179.04 2wpa h MET 266 N 0.00 0.00 -0.05 1.46 2.86 -0.82 -2.43 114.93 115.95 2wpa h MET 266 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2wpa h MET 266 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 2wpa h MET 266 CO 0.07 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.32 2wpa n LEU 267 N -2.38 2.22 -4.54 1.22 4.77 -0.67 -4.04 117.00 113.58 2wpa n LEU 267 Ca 0.03 -2.19 -0.52 0.00 -0.03 0.00 0.00 56.01 53.30 2wpa n LEU 267 Cb 0.32 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2wpa n LEU 267 CO 0.25 0.56 0.62 1.57 -1.33 0.00 0.00 177.39 179.06 2wpa n HIS 268 N -0.52 0.93 -0.00 -1.77 -0.00 -0.54 -4.92 115.22 108.40 2wpa n HIS 268 Ca 0.04 0.81 -0.13 0.00 0.46 0.00 0.00 57.72 58.91 2wpa n HIS 268 Cb 0.35 -2.20 -0.09 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 3.17 0.01 -2.78 1.57 0.05 -1.90 -3.42 116.97 113.66 2wpa h TYR 269 Ca -0.44 -0.00 -0.56 0.00 0.05 0.00 0.00 58.73 57.77 2wpa h TYR 269 Cb 1.38 -0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.09 2wpa h TYR 269 CO 0.54 0.36 1.11 0.34 -1.05 0.00 0.00 178.16 179.47 2wpa s ASP 270 N -5.57 6.42 0.43 3.88 -1.08 -1.26 -4.82 116.67 114.67 2wpa s ASP 270 Ca -0.15 1.63 0.14 0.00 -0.52 0.00 0.00 52.55 53.65 2wpa s ASP 270 Cb 0.03 -2.53 1.03 0.00 -1.46 0.00 0.00 42.92 39.99 2wpa s ASP 270 CO 0.67 -1.22 1.95 -0.65 0.52 0.00 0.00 175.17 176.44 2wpa h PRO 271 N 10.54 0.41 0.00 4.34 0.11 -1.96 0.86 132.00 146.30 2wpa h PRO 271 Ca -0.33 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 2wpa h PRO 271 Cb 1.15 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2wpa h PRO 271 CO 1.00 0.27 -0.24 -0.91 -0.21 0.00 0.00 178.00 177.91 2wpa h ASN 272 N 0.42 0.00 0.62 -2.05 2.35 -1.95 -3.07 115.58 111.90 2wpa h ASN 272 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2wpa h ASN 272 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2wpa h ASN 272 CO -0.10 0.24 -1.26 0.29 -1.65 0.00 0.00 177.43 174.95 2wpa n LYS 273 N -3.34 0.55 -1.83 0.81 4.76 0.17 -4.93 118.16 114.35 2wpa n LYS 273 Ca 0.01 0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 2wpa n LYS 273 Cb 0.48 -1.70 -0.02 0.00 -1.84 0.00 0.00 35.03 31.95 2wpa n LYS 273 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2wpa s ARG 274 N -3.37 4.15 0.61 1.97 3.52 -0.44 -4.92 118.95 120.47 2wpa s ARG 274 Ca -0.02 2.52 -0.18 0.00 -0.13 0.00 0.00 55.73 57.92 2wpa s ARG 274 Cb 0.12 -3.04 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 2wpa s ARG 274 CO 0.82 -0.59 1.19 -1.50 -0.81 0.00 0.00 175.30 174.42 2wpa s ILE 275 N -0.02 2.68 0.32 4.11 2.07 -0.92 -5.00 121.20 124.44 2wpa s ILE 275 Ca 0.62 0.40 -0.05 0.00 -1.41 0.00 0.00 60.65 60.22 2wpa s ILE 275 Cb -0.46 -3.11 -0.05 0.00 0.13 0.00 0.00 42.46 38.96 2wpa s ILE 275 CO 0.47 -0.11 0.59 -0.94 -1.91 0.00 0.00 174.94 173.04 2wpa s SER 276 N -1.73 6.42 0.24 4.50 1.04 -1.26 -4.89 113.70 118.02 2wpa s SER 276 Ca 0.76 0.73 -0.04 0.00 0.48 0.00 0.00 55.95 57.88 2wpa s SER 276 Cb -0.29 -2.15 0.45 0.00 0.10 0.00 0.00 66.02 64.13 2wpa s SER 276 CO 0.35 -0.25 1.73 0.00 0.98 0.00 0.00 173.24 176.04 2wpa h ALA 277 N 1.41 1.05 -0.38 5.32 0.00 -1.95 0.26 119.26 124.97 2wpa h ALA 277 Ca -0.48 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2wpa h ALA 277 Cb 1.19 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2wpa h ALA 277 CO 0.65 -0.20 0.10 -0.22 0.00 0.00 0.00 179.25 179.58 2wpa h LYS 278 N 0.45 0.61 -0.24 0.00 3.64 -1.93 -2.08 116.57 117.01 2wpa h LYS 278 Ca 0.41 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.51 2wpa h LYS 278 Cb 0.61 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2wpa h LYS 278 CO -0.40 0.64 -0.41 0.00 -2.27 0.00 0.00 179.45 177.01 2wpa h ALA 279 N 0.95 0.84 -0.42 5.00 0.00 -1.85 -2.95 119.26 120.83 2wpa h ALA 279 Ca 0.12 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2wpa h ALA 279 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2wpa h ALA 279 CO 0.00 0.65 0.21 0.00 0.00 0.00 0.00 179.25 180.11 2wpa h ALA 280 N 1.08 1.58 0.00 0.00 0.00 -0.30 -1.91 119.26 119.71 2wpa h ALA 280 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wpa h ALA 280 Cb 0.91 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2wpa h ALA 280 CO 0.08 0.35 -0.02 -0.07 0.00 0.00 0.00 179.25 179.59 2wpa h LEU 281 N 0.59 0.00 0.00 0.00 3.38 -1.19 -1.75 115.31 116.33 2wpa h LEU 281 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2wpa h LEU 281 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2wpa h LEU 281 CO -0.02 0.02 -0.69 0.00 0.09 0.00 0.00 178.44 177.84 2wpa n ALA 282 N -2.14 3.86 -1.60 1.53 0.00 -0.73 -4.88 120.51 116.55 2wpa n ALA 282 Ca -0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.57 2wpa n ALA 282 Cb 0.15 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 2wpa n ALA 282 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2wpa n HIS 283 N -1.56 1.23 0.31 0.00 -0.00 -0.66 -4.86 115.22 109.68 2wpa n HIS 283 Ca 0.05 0.61 0.20 0.00 -0.00 0.00 0.00 57.72 58.58 2wpa n HIS 283 Cb 0.35 -2.24 1.07 0.00 -0.00 0.00 0.00 29.99 29.16 2wpa n HIS 283 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2wpa h PRO 284 N 1.77 0.00 -0.53 1.57 0.13 -1.93 -2.17 132.00 130.85 2wpa h PRO 284 Ca -0.43 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.86 2wpa h PRO 284 Cb 1.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 2wpa h PRO 284 CO 0.58 0.00 0.46 0.35 -0.23 0.00 0.00 178.00 179.16 2wpa h PHE 285 N 0.00 0.00 -0.48 1.56 3.57 -1.89 0.79 116.94 120.49 2wpa h PHE 285 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2wpa h PHE 285 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2wpa h PHE 285 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 2wpa n PHE 286 N -4.00 0.64 -0.35 0.41 3.72 -0.81 -4.52 117.46 112.54 2wpa n PHE 286 Ca 0.10 -0.32 0.08 0.00 -0.05 0.00 0.00 57.45 57.26 2wpa n PHE 286 Cb 0.67 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.39 2wpa n PHE 286 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2wpa n GLN 287 N 1.14 -0.09 -0.27 -1.08 -0.06 0.27 -2.37 117.38 114.93 2wpa n GLN 287 Ca 0.19 1.53 0.07 0.00 -2.00 0.00 0.00 57.00 56.78 2wpa n GLN 287 Cb 0.49 -2.32 0.19 0.00 -4.06 0.00 0.00 30.24 24.54 2wpa n GLN 287 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2wpa n ASP 288 N -5.58 3.26 -4.70 1.69 5.75 -1.26 -5.04 116.55 110.67 2wpa n ASP 288 Ca 0.18 -2.40 -0.41 0.00 -0.01 0.00 0.00 54.79 52.15 2wpa n ASP 288 Cb 0.56 -0.35 0.01 0.00 -1.03 0.00 0.00 41.12 40.32 2wpa n ASP 288 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2wpa n VAL 289 N 0.08 2.52 -4.30 2.12 3.14 -1.00 -5.00 118.33 115.89 2wpa n VAL 289 Ca 0.15 -0.50 -0.16 0.00 -2.96 0.00 0.00 64.34 60.87 2wpa n VAL 289 Cb 0.60 -1.57 -0.05 0.00 -1.06 0.00 0.00 33.84 31.76 2wpa n VAL 289 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2wpa n THR 290 N -0.17 0.00 -3.63 1.55 -2.24 -1.26 -5.08 114.28 103.45 2wpa n THR 290 Ca 0.06 -1.61 -0.27 0.00 -2.27 0.00 0.00 64.05 59.97 2wpa n THR 290 Cb 0.39 0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 69.15 2wpa n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wpa n LYS 291 N -0.57 1.84 -1.20 -0.78 4.81 -1.26 -4.40 118.16 116.59 2wpa n LYS 291 Ca -0.02 -4.33 -0.31 0.00 -0.87 0.00 0.00 58.31 52.78 2wpa n LYS 291 Cb 0.41 -2.13 0.10 0.00 0.02 0.00 0.00 35.03 33.43 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 -1.66 2.08 -0.10 1.64 0.02 -1.26 -4.94 135.00 130.78 2wpa s PRO 292 Ca 0.32 1.26 -0.03 0.00 0.02 0.00 0.00 61.00 62.56 2wpa s PRO 292 Cb 0.05 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 2wpa s PRO 292 CO -0.11 -1.79 0.02 0.14 -0.33 0.00 0.00 177.00 174.92 2wpa s VAL 293 N -2.81 4.42 0.53 3.83 -7.23 -1.26 -4.49 120.40 113.38 2wpa s VAL 293 Ca 0.63 -0.20 -0.18 0.00 -1.81 0.00 0.00 61.98 60.42 2wpa s VAL 293 Cb -0.18 -2.88 -0.07 0.00 0.56 0.00 0.00 36.38 33.81 2wpa s VAL 293 CO 0.55 0.59 1.03 -2.16 -0.31 0.00 0.00 175.10 174.80 2wpa s PRO 294 N -0.70 3.67 -0.80 4.82 0.04 -1.26 -5.00 135.00 135.77 2wpa s PRO 294 Ca 0.11 1.23 -0.25 0.00 0.04 0.00 0.00 61.00 62.14 2wpa s PRO 294 Cb -0.12 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.39 2wpa s PRO 294 CO 0.02 -0.53 1.25 -1.58 0.04 0.00 0.00 177.00 176.20 2wpa s HIS 295 N -2.25 2.47 -0.42 0.56 5.65 -1.26 -4.99 115.29 115.04 2wpa s HIS 295 Ca 0.64 -0.42 -0.23 0.00 0.25 0.00 0.00 55.06 55.30 2wpa s HIS 295 Cb -0.15 -4.56 0.02 0.00 -1.18 0.00 0.00 32.58 26.72 2wpa s HIS 295 CO 0.27 -1.92 0.79 -0.51 -0.65 0.00 0.00 174.74 172.72 2wpa s LEU 296 N 5.03 4.20 -1.39 8.88 1.43 -1.26 -4.95 118.68 130.62 2wpa s LEU 296 Ca 0.35 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.35 2wpa s LEU 296 Cb -0.08 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.16 2wpa s LEU 296 CO 0.07 -0.86 2.27 0.54 0.23 0.00 0.00 176.35 178.59 2wpa n ARG 297 N 6.64 2.78 0.00 1.70 3.00 -1.26 -5.18 116.66 124.34 2wpa n ARG 297 Ca 0.03 -2.46 0.14 0.00 -0.01 0.00 0.00 57.85 55.55 2wpa n ARG 297 Cb 0.48 -3.19 0.53 0.00 0.00 0.00 0.00 32.46 30.28 2wpa n ARG 297 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91