#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ist s GLN 3 N 0.00 4.35 -0.02 0.00 2.00 -1.26 -4.72 119.66 120.01 2ist s GLN 3 Ca 0.00 0.76 -0.30 0.00 -2.00 0.00 0.00 55.36 53.82 2ist s GLN 3 Cb 0.00 -3.49 -0.05 0.00 0.80 0.00 0.00 33.01 30.27 2ist s GLN 3 CO 0.00 -0.04 1.34 0.50 -0.50 0.00 0.00 175.29 176.59 2ist s ARG 4 N 1.19 4.30 -0.28 1.67 3.52 -1.26 -0.45 118.95 127.63 2ist s ARG 4 Ca 0.34 1.87 -0.08 0.00 -0.13 0.00 0.00 55.73 57.73 2ist s ARG 4 Cb -0.17 -3.58 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 2ist s ARG 4 CO 0.14 -0.55 0.11 0.08 -0.81 0.00 0.00 175.30 174.27 2ist s VAL 5 N 2.41 4.37 -0.18 7.11 1.01 0.26 -4.95 120.40 130.43 2ist s VAL 5 Ca 0.61 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2ist s VAL 5 Cb -0.29 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 32.96 2ist s VAL 5 CO 0.25 0.17 -0.08 -1.10 0.00 0.00 0.00 175.10 174.34 2ist s GLN 6 N 1.59 1.72 0.00 2.72 -0.21 -1.26 -0.59 119.66 123.63 2ist s GLN 6 Ca 0.05 -0.64 0.01 0.00 0.02 0.00 0.00 55.36 54.80 2ist s GLN 6 Cb -0.16 -2.16 -0.00 0.00 1.00 0.00 0.00 33.01 31.68 2ist s GLN 6 CO 0.05 -0.42 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.25 2ist s LEU 7 N 1.53 2.03 0.03 2.90 1.43 -0.64 -4.99 118.68 120.96 2ist s LEU 7 Ca 0.00 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2ist s LEU 7 Cb -0.15 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 2ist s LEU 7 CO -0.08 0.01 -0.06 0.42 0.23 0.00 0.00 176.35 176.88 2ist s THR 8 N -0.22 0.37 0.07 5.49 -4.23 -1.26 -0.16 115.64 115.70 2ist s THR 8 Ca -0.00 -0.81 -0.27 0.00 -1.18 0.00 0.00 61.69 59.43 2ist s THR 8 Cb -0.02 -0.43 0.09 0.00 1.34 0.00 0.00 72.50 73.48 2ist s THR 8 CO -0.00 -0.30 1.13 0.00 -0.54 0.00 0.00 174.62 174.91 2ist s ALA 9 N -1.07 -1.95 -0.05 3.99 0.00 -0.88 -5.02 121.76 116.77 2ist s ALA 9 Ca -0.09 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.28 2ist s ALA 9 Cb -0.08 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 2ist s ALA 9 CO -0.00 -1.06 -0.21 0.95 0.00 0.00 0.00 175.76 175.45 2ist s THR 10 N -2.77 2.47 0.16 0.00 -4.23 -1.26 -0.33 115.64 109.67 2ist s THR 10 Ca 0.14 -0.93 -0.31 0.00 -1.18 0.00 0.00 61.69 59.41 2ist s THR 10 Cb 0.02 -1.93 -0.11 0.00 1.34 0.00 0.00 72.50 71.82 2ist s THR 10 CO -0.00 0.58 1.78 -0.69 -0.54 0.00 0.00 174.62 175.74 2ist s VAL 11 N -0.42 2.34 0.41 2.29 1.01 -0.58 -4.88 120.40 120.57 2ist s VAL 11 Ca 0.04 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 2ist s VAL 11 Cb -0.12 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 2ist s VAL 11 CO 0.02 0.00 1.20 -0.55 0.00 0.00 0.00 175.10 175.77 2ist s SER 12 N 2.09 6.42 0.31 3.32 0.15 -1.26 0.33 113.70 125.05 2ist s SER 12 Ca 0.78 2.42 0.08 0.00 0.70 0.00 0.00 55.95 59.93 2ist s SER 12 Cb -0.47 -2.62 0.84 0.00 -1.71 0.00 0.00 66.02 62.06 2ist s SER 12 CO 0.35 -0.76 1.73 -0.08 1.20 0.00 0.00 173.24 175.68 2ist h GLU 13 N 2.57 0.56 -0.00 5.44 4.81 -1.90 0.78 114.58 126.83 2ist h GLU 13 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2ist h GLU 13 Cb 1.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2ist h GLU 13 CO 0.62 0.37 0.00 0.27 -0.73 0.00 0.00 179.01 179.54 2ist n ASN 14 N -4.90 0.01 -0.25 1.04 0.23 -1.26 -2.46 115.26 107.67 2ist n ASN 14 Ca 0.26 -1.24 0.13 0.00 -0.53 0.00 0.00 54.58 53.19 2ist n ASN 14 Cb 0.71 -0.00 0.63 0.00 -2.08 0.00 0.00 39.78 39.04 2ist n ASN 14 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ist n GLN 15 N -0.87 1.34 -1.69 -3.83 6.02 0.27 -4.94 117.38 113.67 2ist n GLN 15 Ca 0.18 -0.49 -0.65 0.00 -0.01 0.00 0.00 57.00 56.03 2ist n GLN 15 Cb 0.08 -1.43 -0.09 0.00 1.02 0.00 0.00 30.24 29.82 2ist n GLN 15 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2ist n LEU 16 N -0.36 1.13 0.00 1.08 0.00 -1.03 -1.44 117.00 116.38 2ist n LEU 16 Ca 0.19 1.17 0.00 0.00 0.00 0.00 0.00 56.01 57.37 2ist n LEU 16 Cb 0.21 -0.93 0.00 0.00 0.00 0.00 0.00 43.42 42.71 2ist n LEU 16 CO 0.15 -1.00 0.00 0.61 0.00 0.00 0.00 177.39 177.15 2ist n GLY 17 N 3.50 1.07 3.76 -3.96 0.00 -0.13 -5.01 105.19 104.43 2ist n GLY 17 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 2ist n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ist s GLN 18 N -0.63 3.53 0.54 1.61 -0.21 -0.52 -4.70 119.66 119.28 2ist s GLN 18 Ca 0.00 1.99 -0.21 0.00 0.02 0.00 0.00 55.36 57.15 2ist s GLN 18 Cb 0.00 -2.38 -0.06 0.00 1.00 0.00 0.00 33.01 31.58 2ist s GLN 18 CO 0.00 -0.80 1.23 0.54 -2.12 0.00 0.00 175.29 174.15 2ist n ARG 19 N -0.65 1.48 -0.18 2.91 1.74 -1.26 -1.16 116.66 119.53 2ist n ARG 19 Ca 0.08 0.55 -0.00 0.00 -0.77 0.00 0.00 57.85 57.71 2ist n ARG 19 Cb 0.46 -2.42 0.09 0.00 -1.02 0.00 0.00 32.46 29.57 2ist n ARG 19 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2ist h LEU 20 N 1.24 -0.18 -0.42 0.55 5.85 0.64 0.36 115.31 123.35 2ist h LEU 20 Ca -0.49 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 2ist h LEU 20 Cb 1.32 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 2ist h LEU 20 CO 0.56 -0.07 0.10 -2.24 -0.34 0.00 0.00 178.44 176.45 2ist h ASP 21 N 0.15 0.64 -0.52 1.25 3.04 -1.60 -1.25 116.42 118.12 2ist h ASP 21 Ca 0.29 -0.23 0.05 0.00 -3.24 0.00 0.00 57.03 53.90 2ist h ASP 21 Cb 0.46 -0.17 -0.05 0.00 -1.04 0.00 0.00 39.33 38.53 2ist h ASP 21 CO -0.46 0.70 0.26 -0.61 -2.04 0.00 0.00 179.24 177.10 2ist h GLN 22 N 0.54 0.49 -0.55 4.15 4.15 -1.66 -0.98 115.11 121.25 2ist h GLN 22 Ca 0.13 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.43 2ist h GLN 22 Cb 0.32 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 2ist h GLN 22 CO 0.00 0.32 -0.02 0.00 -1.93 0.00 0.00 178.83 177.20 2ist h ALA 23 N 1.29 0.74 -0.42 3.38 0.00 -0.08 -2.45 119.26 121.73 2ist h ALA 23 Ca 0.23 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2ist h ALA 23 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ist h ALA 23 CO -0.17 0.59 -0.11 -0.07 0.00 0.00 0.00 179.25 179.48 2ist h LEU 24 N 0.87 0.74 -1.23 0.00 4.07 -1.10 -1.68 115.31 116.97 2ist h LEU 24 Ca 0.15 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.90 2ist h LEU 24 Cb 0.57 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 2ist h LEU 24 CO 0.03 0.87 0.48 0.00 -1.08 0.00 0.00 178.44 178.75 2ist h ALA 25 N 1.20 1.44 -0.21 1.53 0.00 -1.00 -0.63 119.26 121.58 2ist h ALA 25 Ca 0.12 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2ist h ALA 25 Cb 0.58 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ist h ALA 25 CO 0.04 0.51 -0.66 1.49 0.00 0.00 0.00 179.25 180.63 2ist h GLU 26 N 1.03 0.78 -0.03 0.00 4.81 -0.95 -2.89 114.58 117.32 2ist h GLU 26 Ca 0.27 -0.56 -0.17 0.00 -0.13 0.00 0.00 59.36 58.77 2ist h GLU 26 Cb -0.09 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2ist h GLU 26 CO -0.06 1.18 -0.74 0.52 -0.73 0.00 0.00 179.01 179.19 2ist h MET 27 N 0.57 0.22 -2.42 1.92 2.86 -1.09 -3.37 114.93 113.63 2ist h MET 27 Ca -0.02 -0.19 -0.60 0.00 -2.06 0.00 0.00 59.70 56.84 2ist h MET 27 Cb 1.27 0.04 -0.41 0.00 0.06 0.00 0.00 31.60 32.57 2ist h MET 27 CO 0.14 0.86 -0.73 1.19 1.06 0.00 0.00 176.91 179.42 2ist n PHE 28 N -3.77 2.19 0.93 -0.22 3.72 -0.27 -4.95 117.46 115.10 2ist n PHE 28 Ca -0.03 -3.98 0.08 0.00 -0.05 0.00 0.00 57.45 53.48 2ist n PHE 28 Cb 0.71 -0.43 0.46 0.00 -0.94 0.00 0.00 39.48 39.28 2ist n PHE 28 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ist n PRO 29 N 1.51 0.38 0.00 -1.08 -0.04 -1.09 -2.88 135.00 131.80 2ist n PRO 29 Ca 0.26 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 2ist n PRO 29 Cb 0.43 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.92 2ist n PRO 29 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ist n ASP 30 N -1.15 0.00 -3.97 3.54 8.00 -1.26 -4.76 116.55 116.95 2ist n ASP 30 Ca 0.10 -0.04 -0.22 0.00 0.71 0.00 0.00 54.79 55.34 2ist n ASP 30 Cb 0.10 -0.27 -0.16 0.00 -0.02 0.00 0.00 41.12 40.76 2ist n ASP 30 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2ist s TYR 31 N -2.54 1.09 0.84 1.24 1.51 -1.14 -5.13 117.35 113.22 2ist s TYR 31 Ca 0.20 -0.35 -0.12 0.00 -1.01 0.00 0.00 57.07 55.80 2ist s TYR 31 Cb 0.14 -0.83 0.10 0.00 -0.11 0.00 0.00 41.96 41.26 2ist s TYR 31 CO 0.32 -0.20 1.19 -1.54 -1.11 0.00 0.00 175.55 174.20 2ist s SER 32 N 0.63 3.35 0.12 2.29 1.04 -1.26 -4.81 113.70 115.06 2ist s SER 32 Ca -0.11 2.32 -0.20 0.00 0.48 0.00 0.00 55.95 58.44 2ist s SER 32 Cb -0.14 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.34 2ist s SER 32 CO 0.02 -2.82 1.77 0.08 0.98 0.00 0.00 173.24 173.26 2ist h ARG 33 N -1.23 0.22 -0.38 4.02 0.11 -1.96 -2.27 114.38 112.90 2ist h ARG 33 Ca -0.45 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 59.54 2ist h ARG 33 Cb 1.29 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 2ist h ARG 33 CO 0.44 0.15 -0.04 0.66 0.10 0.00 0.00 179.97 181.28 2ist h SER 34 N 0.23 0.70 -0.57 0.08 4.64 -1.99 -1.97 113.55 114.68 2ist h SER 34 Ca 0.07 -0.34 0.10 0.00 -0.47 0.00 0.00 61.79 61.16 2ist h SER 34 Cb -0.01 -0.19 -0.11 0.00 -0.31 0.00 0.00 62.40 61.79 2ist h SER 34 CO -0.04 0.87 -0.36 -0.09 -0.87 0.00 0.00 176.83 176.35 2ist h ARG 35 N 0.52 -0.18 -0.85 4.77 9.65 -1.92 -0.06 114.38 126.31 2ist h ARG 35 Ca 0.10 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.07 2ist h ARG 35 Cb 0.54 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.09 2ist h ARG 35 CO 0.03 -0.12 0.52 0.82 2.80 0.00 0.00 179.97 184.02 2ist h ILE 36 N -0.19 1.01 -0.43 1.20 2.04 -1.17 -1.84 117.51 118.13 2ist h ILE 36 Ca 0.22 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.77 2ist h ILE 36 Cb 0.55 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2ist h ILE 36 CO -0.67 0.17 0.26 0.50 0.00 0.00 0.00 178.15 178.41 2ist h LYS 37 N 0.93 0.51 -0.73 2.37 3.64 -0.59 -1.60 116.57 121.11 2ist h LYS 37 Ca 0.38 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2ist h LYS 37 Cb 0.22 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2ist h LYS 37 CO -0.19 0.34 0.48 0.93 -2.27 0.00 0.00 179.45 178.74 2ist h GLU 38 N 0.53 0.94 -0.58 1.90 5.08 -0.70 -1.60 114.58 120.15 2ist h GLU 38 Ca 0.17 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2ist h GLU 38 Cb -0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 2ist h GLU 38 CO -0.07 0.62 -0.04 -1.49 -1.00 0.00 0.00 179.01 177.03 2ist h TRP 39 N 0.97 1.16 0.14 4.33 6.55 -0.92 -1.80 115.95 126.38 2ist h TRP 39 Ca 0.27 -0.21 -0.01 0.00 0.95 0.00 0.00 58.89 59.89 2ist h TRP 39 Cb -0.09 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 27.92 2ist h TRP 39 CO -0.00 1.04 -0.07 0.82 -1.05 0.00 0.00 178.44 179.18 2ist h ILE 40 N 0.95 1.00 -0.27 1.49 2.04 -0.90 -0.37 117.51 121.46 2ist h ILE 40 Ca 0.16 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 2ist h ILE 40 Cb 0.61 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2ist h ILE 40 CO 0.04 0.17 0.03 -0.07 0.00 0.00 0.00 178.15 178.32 2ist h LEU 41 N -0.54 0.35 -2.05 1.44 3.38 -1.32 -2.49 115.31 114.08 2ist h LEU 41 Ca -0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2ist h LEU 41 Cb 0.42 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2ist h LEU 41 CO 0.03 0.39 0.05 -0.67 0.09 0.00 0.00 178.44 178.34 2ist n ASP 42 N -4.36 2.75 -2.44 -0.43 4.64 -0.68 -4.86 116.55 111.17 2ist n ASP 42 Ca 0.01 -2.37 -0.20 0.00 -1.38 0.00 0.00 54.79 50.85 2ist n ASP 42 Cb 0.19 -0.58 0.01 0.00 -1.04 0.00 0.00 41.12 39.70 2ist n ASP 42 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2ist n GLN 43 N 0.15 -2.80 -0.17 -0.67 1.13 -0.94 -4.90 117.38 109.18 2ist n GLN 43 Ca 0.12 0.89 0.10 0.00 -1.94 0.00 0.00 57.00 56.17 2ist n GLN 43 Cb 0.65 -5.52 0.18 0.00 0.11 0.00 0.00 30.24 25.66 2ist n GLN 43 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ist n ARG 44 N -3.24 2.28 -4.68 -1.09 1.74 -0.15 -4.90 116.66 106.62 2ist n ARG 44 Ca -0.18 -2.09 -0.33 0.00 -0.77 0.00 0.00 57.85 54.48 2ist n ARG 44 Cb 0.65 -1.43 -0.16 0.00 -1.02 0.00 0.00 32.46 30.50 2ist n ARG 44 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ist s VAL 45 N -1.29 2.45 -0.13 1.55 1.01 -1.25 -2.36 120.40 120.38 2ist s VAL 45 Ca 0.32 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2ist s VAL 45 Cb 0.19 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2ist s VAL 45 CO 0.26 0.53 0.13 -0.76 0.00 0.00 0.00 175.10 175.26 2ist s LEU 46 N 0.71 4.30 -0.21 3.92 1.43 0.68 -1.54 118.68 127.97 2ist s LEU 46 Ca -0.08 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2ist s LEU 46 Cb -0.16 -2.05 0.05 0.00 0.03 0.00 0.00 46.19 44.06 2ist s LEU 46 CO 0.01 0.38 -0.06 -0.69 0.23 0.00 0.00 176.35 176.22 2ist s VAL 47 N -0.84 1.45 -1.43 -1.59 1.01 0.70 -1.12 120.40 118.58 2ist s VAL 47 Ca 0.14 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 2ist s VAL 47 Cb -0.12 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.65 2ist s VAL 47 CO 0.03 0.01 0.83 0.59 0.00 0.00 0.00 175.10 176.57 2ist n ASN 48 N 4.72 -3.00 0.00 3.32 3.02 0.87 -2.34 115.26 121.85 2ist n ASN 48 Ca -0.13 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 2ist n ASN 48 Cb 0.45 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 2ist n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ist n GLY 49 N -1.66 0.54 3.18 7.41 0.00 -1.26 -5.03 105.19 108.37 2ist n GLY 49 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2ist n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ist s LYS 50 N -0.26 2.20 0.05 1.61 1.02 -0.99 -5.06 119.74 118.31 2ist s LYS 50 Ca 0.00 -0.72 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 2ist s LYS 50 Cb 0.00 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.40 2ist s LYS 50 CO 0.00 0.26 1.59 0.54 -0.92 0.00 0.00 175.35 176.82 2ist s VAL 51 N 0.07 3.19 -0.17 3.17 0.11 -1.26 -0.22 120.40 125.29 2ist s VAL 51 Ca -0.07 0.63 0.01 0.00 -2.93 0.00 0.00 61.98 59.62 2ist s VAL 51 Cb -0.13 -3.41 0.03 0.00 -1.53 0.00 0.00 36.38 31.34 2ist s VAL 51 CO 0.04 -0.00 -0.11 0.00 -3.33 0.00 0.00 175.10 171.69 2ist n ASP 53 N 4.74 3.11 -4.24 0.00 5.68 -1.26 -4.57 116.55 120.01 2ist n ASP 53 Ca -0.15 -2.89 -0.42 0.00 -0.50 0.00 0.00 54.79 50.83 2ist n ASP 53 Cb 0.48 -0.44 -0.07 0.00 -1.14 0.00 0.00 41.12 39.95 2ist n ASP 53 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2ist s LYS 54 N -2.56 2.62 0.54 0.11 3.01 -1.26 -4.29 119.74 117.90 2ist s LYS 54 Ca 0.34 -1.75 0.21 0.00 -1.01 0.00 0.00 55.97 53.76 2ist s LYS 54 Cb 0.28 -4.03 1.39 0.00 -1.01 0.00 0.00 37.83 34.46 2ist s LYS 54 CO 0.07 -1.23 2.11 -1.35 0.51 0.00 0.00 175.35 175.45 2ist h PRO 55 N 8.57 0.00 0.00 -1.68 0.11 -1.91 -1.40 132.00 135.69 2ist h PRO 55 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2ist h PRO 55 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2ist h PRO 55 CO 0.91 0.00 -0.15 1.17 -0.21 0.00 0.00 178.00 179.72 2ist n LYS 56 N -4.36 0.21 -2.03 1.05 4.81 -1.26 -1.67 118.16 114.91 2ist n LYS 56 Ca 0.01 0.14 -0.41 0.00 -0.87 0.00 0.00 58.31 57.18 2ist n LYS 56 Cb 0.27 -1.71 -0.02 0.00 0.02 0.00 0.00 35.03 33.59 2ist n LYS 56 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2ist s GLU 57 N -3.09 4.28 0.00 1.64 2.12 -0.53 -4.48 118.70 118.64 2ist s GLU 57 Ca 0.10 2.29 -0.27 0.00 0.36 0.00 0.00 54.97 57.45 2ist s GLU 57 Cb 0.14 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2ist s GLU 57 CO 0.62 -0.38 0.86 0.15 -0.54 0.00 0.00 175.26 175.96 2ist s LYS 58 N -0.67 4.53 0.64 4.30 1.02 -1.26 0.82 119.74 129.13 2ist s LYS 58 Ca 0.57 1.20 -0.11 0.00 0.02 0.00 0.00 55.97 57.65 2ist s LYS 58 Cb -0.41 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.45 2ist s LYS 58 CO 0.45 0.08 1.04 0.14 -0.92 0.00 0.00 175.35 176.14 2ist s VAL 59 N 0.63 4.27 -0.36 3.17 -7.23 -0.31 -4.90 120.40 115.67 2ist s VAL 59 Ca 0.45 0.70 0.09 0.00 -1.81 0.00 0.00 61.98 61.41 2ist s VAL 59 Cb -0.20 -3.73 -0.11 0.00 0.56 0.00 0.00 36.38 32.91 2ist s VAL 59 CO 0.24 -0.95 0.36 0.18 -0.31 0.00 0.00 175.10 174.62 2ist n LEU 60 N -2.82 0.36 -0.05 1.32 4.77 -1.26 -0.95 117.00 118.36 2ist n LEU 60 Ca 0.06 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2ist n LEU 60 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2ist n LEU 60 CO 0.58 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2ist n GLY 61 N 1.33 -1.33 0.38 -0.72 0.00 -1.26 -4.39 105.19 99.21 2ist n GLY 61 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2ist n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ist n GLY 62 N 0.98 0.41 3.72 -0.02 0.00 0.15 -4.83 105.19 105.60 2ist n GLY 62 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ist n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ist s GLU 63 N -0.87 4.22 -0.18 1.61 8.01 -1.26 -4.74 118.70 125.49 2ist s GLU 63 Ca 0.00 2.34 -0.26 0.00 0.01 0.00 0.00 54.97 57.07 2ist s GLU 63 Cb 0.00 -3.17 -0.01 0.00 -4.31 0.00 0.00 34.13 26.64 2ist s GLU 63 CO 0.00 -0.60 0.85 -0.65 0.01 0.00 0.00 175.26 174.87 2ist s GLN 64 N 1.17 4.28 -0.08 1.61 -0.21 -1.26 -1.52 119.66 123.65 2ist s GLN 64 Ca 0.70 1.04 0.02 0.00 0.02 0.00 0.00 55.36 57.13 2ist s GLN 64 Cb -0.43 -3.59 -0.02 0.00 1.00 0.00 0.00 33.01 29.97 2ist s GLN 64 CO 0.31 -0.38 -0.12 0.08 -2.12 0.00 0.00 175.29 173.06 2ist s VAL 65 N 2.33 3.19 -0.04 1.09 1.01 0.55 -0.09 120.40 128.44 2ist s VAL 65 Ca 0.38 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2ist s VAL 65 Cb -0.16 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2ist s VAL 65 CO 0.11 0.56 -0.04 0.00 0.00 0.00 0.00 175.10 175.74 2ist s ALA 66 N -0.32 0.61 -0.08 5.51 0.00 -0.27 -2.07 121.76 125.14 2ist s ALA 66 Ca 0.03 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 51.99 2ist s ALA 66 Cb -0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2ist s ALA 66 CO 0.03 0.01 -0.23 0.42 0.00 0.00 0.00 175.76 175.98 2ist s ILE 67 N 0.77 2.16 -0.29 0.00 1.01 0.77 -0.23 121.20 125.39 2ist s ILE 67 Ca -0.10 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.54 2ist s ILE 67 Cb -0.13 -1.81 0.09 0.00 0.01 0.00 0.00 42.46 40.62 2ist s ILE 67 CO 0.00 0.56 0.07 0.21 0.00 0.00 0.00 174.94 175.79 2ist s ASN 68 N 0.04 3.97 0.16 3.58 3.04 -0.99 -1.63 114.94 123.12 2ist s ASN 68 Ca -0.09 -1.56 0.02 0.00 0.04 0.00 0.00 52.86 51.27 2ist s ASN 68 Cb -0.15 -0.95 -0.01 0.00 -1.54 0.00 0.00 41.25 38.60 2ist s ASN 68 CO 0.06 -0.38 0.17 0.00 -3.04 0.00 0.00 177.10 173.90 2ist n ALA 69 N 4.79 0.19 -2.49 1.71 0.00 0.24 -4.78 120.51 120.17 2ist n ALA 69 Ca -0.03 -0.90 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 2ist n ALA 69 Cb 0.43 0.72 -0.08 0.00 0.00 0.00 0.00 19.45 20.52 2ist n ALA 69 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2ist s GLU 70 N -2.57 1.42 0.00 0.00 1.03 -1.26 0.91 118.70 118.23 2ist s GLU 70 Ca 0.18 -1.62 0.00 0.00 0.03 0.00 0.00 54.97 53.56 2ist s GLU 70 Cb 0.01 0.34 0.00 0.00 -0.80 0.00 0.00 34.13 33.67 2ist s GLU 70 CO 0.13 -0.52 0.00 -0.89 -1.33 0.00 0.00 175.26 172.65 2ist n ILE 71 N -0.37 0.00 0.00 1.83 2.08 0.40 -4.88 119.36 118.42 2ist n ILE 71 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 2ist n ILE 71 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.53 2ist n ILE 71 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2ist n GLU 72 N 0.00 0.00 -1.43 0.38 0.28 -1.26 -4.61 120.64 114.00 2ist n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2ist n GLU 72 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2ist n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2ist n ARG 76 N 0.00 0.00 -2.38 3.44 0.63 -1.26 -4.73 116.66 112.36 2ist n ARG 76 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 2ist n ARG 76 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 2ist n ARG 76 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2ist s PHE 77 N -3.01 3.07 -0.01 -0.14 2.99 -1.26 -5.02 117.98 114.60 2ist s PHE 77 Ca 0.00 1.58 -0.10 0.00 0.00 0.00 0.00 56.93 58.41 2ist s PHE 77 Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 43.02 39.68 2ist s PHE 77 CO 0.00 -1.12 0.31 -1.21 -0.00 0.00 0.00 175.22 173.19 2ist s GLU 78 N -2.53 3.69 0.30 0.44 0.41 -1.26 -5.04 118.70 114.71 2ist s GLU 78 Ca 0.60 0.12 -0.29 0.00 -0.41 0.00 0.00 54.97 54.98 2ist s GLU 78 Cb -0.27 -3.14 -0.11 0.00 -1.78 0.00 0.00 34.13 28.84 2ist s GLU 78 CO 0.33 0.68 1.48 -1.25 -0.49 0.00 0.00 175.26 176.01 2ist s PRO 79 N -1.39 4.20 -0.02 0.39 0.04 -1.26 -4.51 135.00 132.46 2ist s PRO 79 Ca 0.24 2.43 0.03 0.00 0.04 0.00 0.00 61.00 63.74 2ist s PRO 79 Cb -0.14 -3.05 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 2ist s PRO 79 CO 0.13 -0.48 -0.11 -0.65 0.04 0.00 0.00 177.00 175.93 2ist s GLN 80 N -0.93 0.97 -1.08 4.56 -0.21 -0.40 -4.87 119.66 117.71 2ist s GLN 80 Ca 0.58 -0.37 -0.24 0.00 0.02 0.00 0.00 55.36 55.34 2ist s GLN 80 Cb -0.44 -0.92 -0.15 0.00 1.00 0.00 0.00 33.01 32.49 2ist s GLN 80 CO 0.50 0.19 1.97 -3.47 -2.12 0.00 0.00 175.29 172.36 2ist n ASP 81 N 3.01 2.41 -4.00 5.90 -0.08 -1.26 -3.93 116.55 118.60 2ist n ASP 81 Ca -0.16 -2.63 -0.30 0.00 -1.51 0.00 0.00 54.79 50.19 2ist n ASP 81 Cb 0.55 -1.64 -0.16 0.00 2.34 0.00 0.00 41.12 42.21 2ist n ASP 81 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ist s ILE 82 N 12.44 1.62 0.49 5.18 1.01 -1.26 -5.09 121.20 135.59 2ist s ILE 82 Ca 0.72 -0.89 -0.23 0.00 0.00 0.00 0.00 60.65 60.24 2ist s ILE 82 Cb -0.00 -1.64 -0.07 0.00 0.01 0.00 0.00 42.46 40.76 2ist s ILE 82 CO 0.16 0.25 1.31 -2.16 0.00 0.00 0.00 174.94 174.51 2ist s PRO 83 N 1.43 3.51 -0.00 2.79 0.04 -1.26 -4.78 135.00 136.72 2ist s PRO 83 Ca 0.01 2.14 0.07 0.00 0.04 0.00 0.00 61.00 63.26 2ist s PRO 83 Cb -0.15 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 2ist s PRO 83 CO -0.09 -0.86 -0.23 -0.51 0.04 0.00 0.00 177.00 175.35 2ist s LEU 84 N -3.10 2.08 -0.63 -3.56 1.43 -1.26 -5.08 118.68 108.56 2ist s LEU 84 Ca 0.66 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 53.11 2ist s LEU 84 Cb -0.38 -1.15 0.10 0.00 0.03 0.00 0.00 46.19 44.80 2ist s LEU 84 CO 0.46 0.26 0.78 -0.62 0.23 0.00 0.00 176.35 177.46 2ist s ASP 85 N -0.72 6.22 -0.32 2.29 2.15 -1.26 -5.02 116.67 120.01 2ist s ASP 85 Ca 0.09 -1.43 -0.24 0.00 0.43 0.00 0.00 52.55 51.40 2ist s ASP 85 Cb -0.09 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2ist s ASP 85 CO -0.00 -1.16 0.81 -0.63 -0.17 0.00 0.00 175.17 174.02 2ist s ILE 86 N 2.87 4.76 0.00 4.11 1.01 -1.26 -0.51 121.20 132.18 2ist s ILE 86 Ca 0.15 1.14 -0.19 0.00 0.00 0.00 0.00 60.65 61.75 2ist s ILE 86 Cb -0.21 -4.18 -0.26 0.00 0.01 0.00 0.00 42.46 37.81 2ist s ILE 86 CO 0.06 -0.32 1.06 0.58 0.00 0.00 0.00 174.94 176.32 2ist h VAL 87 N 5.65 1.41 -2.45 2.92 2.07 -0.94 -3.48 116.25 121.44 2ist h VAL 87 Ca -0.24 -2.26 -0.09 0.00 0.82 0.00 0.00 66.70 64.93 2ist h VAL 87 Cb 1.09 2.74 -0.22 0.00 -1.52 0.00 0.00 31.29 33.39 2ist h VAL 87 CO 0.90 0.66 -0.06 -0.47 0.02 0.00 0.00 177.57 178.62 2ist s TYR 88 N -3.00 -0.54 -0.13 1.57 6.14 -1.10 -5.00 117.35 115.30 2ist s TYR 88 Ca -0.12 1.19 -0.10 0.00 0.64 0.00 0.00 57.07 58.68 2ist s TYR 88 Cb 0.03 0.22 0.04 0.00 0.42 0.00 0.00 41.96 42.68 2ist s TYR 88 CO 0.85 -0.36 0.33 -2.00 0.64 0.00 0.00 175.55 175.00 2ist s GLU 89 N -0.25 0.35 0.00 4.97 2.12 -1.26 -0.50 118.70 124.13 2ist s GLU 89 Ca -0.04 0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.81 2ist s GLU 89 Cb -0.03 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.45 2ist s GLU 89 CO 0.03 -0.09 0.00 -0.40 -0.54 0.00 0.00 175.26 174.26 2ist n ASP 90 N 3.37 0.50 0.25 -1.70 5.68 -0.65 -5.02 116.55 118.98 2ist n ASP 90 Ca -0.17 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.23 2ist n ASP 90 Cb 0.56 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.19 2ist n ASP 90 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2ist h GLU 91 N 0.00 0.00 0.00 0.11 4.81 -2.04 -3.35 114.58 114.11 2ist h GLU 91 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2ist h GLU 91 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2ist h GLU 91 CO 0.00 0.16 -1.45 -0.25 -0.73 0.00 0.00 179.01 176.74 2ist n ASP 92 N -3.67 3.31 -4.08 1.04 9.92 -1.26 -4.75 116.55 117.05 2ist n ASP 92 Ca -0.02 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.17 2ist n ASP 92 Cb 0.28 0.77 -0.10 0.00 -0.64 0.00 0.00 41.12 41.43 2ist n ASP 92 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2ist s ILE 93 N -2.22 0.22 -0.03 0.53 -4.36 -1.26 0.03 121.20 114.12 2ist s ILE 93 Ca -0.03 -1.74 0.04 0.00 -0.26 0.00 0.00 60.65 58.66 2ist s ILE 93 Cb 0.02 -1.42 -0.00 0.00 1.25 0.00 0.00 42.46 42.31 2ist s ILE 93 CO 0.28 -0.96 -0.14 -0.63 0.24 0.00 0.00 174.94 173.74 2ist s ILE 94 N -3.71 1.18 -0.18 8.37 1.01 0.24 -1.64 121.20 126.47 2ist s ILE 94 Ca 0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 2ist s ILE 94 Cb 0.06 -1.01 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 2ist s ILE 94 CO -0.09 0.34 -0.11 -0.63 0.00 0.00 0.00 174.94 174.45 2ist s ILE 95 N -0.03 2.93 0.13 2.92 -1.09 0.35 -1.22 121.20 125.19 2ist s ILE 95 Ca -0.01 -0.67 0.09 0.00 -2.23 0.00 0.00 60.65 57.83 2ist s ILE 95 Cb -0.09 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 2ist s ILE 95 CO 0.01 0.49 -0.14 0.27 -1.23 0.00 0.00 174.94 174.33 2ist s ILE 96 N 1.02 3.03 -0.50 2.92 -4.36 -0.82 -0.24 121.20 122.26 2ist s ILE 96 Ca -0.01 -1.51 -0.12 0.00 -0.26 0.00 0.00 60.65 58.75 2ist s ILE 96 Cb -0.15 -2.43 0.12 0.00 1.25 0.00 0.00 42.46 41.26 2ist s ILE 96 CO -0.02 0.04 0.41 0.21 0.24 0.00 0.00 174.94 175.82 2ist s ASN 97 N -2.34 5.91 0.01 4.36 3.84 0.33 -2.20 114.94 124.85 2ist s ASN 97 Ca 0.21 -1.83 -0.30 0.00 0.21 0.00 0.00 52.86 51.14 2ist s ASN 97 Cb -0.10 -2.10 -0.04 0.00 -0.55 0.00 0.00 41.25 38.47 2ist s ASN 97 CO 0.12 -0.75 1.07 -0.75 -2.79 0.00 0.00 177.10 173.99 2ist s LYS 98 N 1.47 4.49 0.95 0.43 2.20 0.73 -4.33 119.74 125.67 2ist s LYS 98 Ca 0.04 1.55 -0.15 0.00 -0.36 0.00 0.00 55.97 57.05 2ist s LYS 98 Cb -0.28 -3.43 0.17 0.00 -1.51 0.00 0.00 37.83 32.78 2ist s LYS 98 CO 0.01 -0.16 1.25 -1.25 -0.36 0.00 0.00 175.35 174.83 2ist s PRO 99 N 1.17 0.81 0.92 4.03 0.04 -1.26 -0.77 135.00 139.94 2ist s PRO 99 Ca 0.54 -0.17 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 2ist s PRO 99 Cb -0.24 -1.84 0.15 0.00 0.04 0.00 0.00 34.50 32.60 2ist s PRO 99 CO 0.27 -2.34 1.13 -0.98 0.04 0.00 0.00 177.00 175.12 2ist s ARG 100 N -5.70 1.03 -1.51 4.56 1.70 -1.26 -4.04 118.95 113.74 2ist s ARG 100 Ca 0.70 0.32 -0.06 0.00 -0.47 0.00 0.00 55.73 56.22 2ist s ARG 100 Cb -0.07 -1.82 0.01 0.00 -0.57 0.00 0.00 34.95 32.49 2ist s ARG 100 CO 0.52 -2.28 0.78 -3.47 -1.08 0.00 0.00 175.30 169.78 2ist n ASP 101 N -3.83 -6.22 -3.59 -2.89 2.03 -0.83 -4.96 116.55 96.26 2ist n ASP 101 Ca 0.06 -0.37 -0.21 0.00 0.52 0.00 0.00 54.79 54.80 2ist n ASP 101 Cb 0.59 -4.99 -0.15 0.00 -0.72 0.00 0.00 41.12 35.85 2ist n ASP 101 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2ist s LEU 102 N -6.89 0.07 0.34 -2.67 2.96 -1.00 -5.04 118.68 106.46 2ist s LEU 102 Ca 0.39 -0.20 -0.26 0.00 -0.22 0.00 0.00 54.13 53.83 2ist s LEU 102 Cb -0.17 0.11 -0.09 0.00 0.50 0.00 0.00 46.19 46.53 2ist s LEU 102 CO 0.48 -0.31 1.05 -0.69 -1.32 0.00 0.00 176.35 175.56 2ist s VAL 103 N 2.24 3.73 -0.07 1.68 1.01 -1.26 -4.28 120.40 123.45 2ist s VAL 103 Ca 0.04 1.48 -0.27 0.00 0.00 0.00 0.00 61.98 63.24 2ist s VAL 103 Cb -0.15 -3.85 -0.23 0.00 0.00 0.00 0.00 36.38 32.16 2ist s VAL 103 CO -0.09 0.16 1.04 0.58 0.00 0.00 0.00 175.10 176.79 2ist h VAL 104 N 2.58 1.57 -3.97 2.92 2.07 -1.91 0.94 116.25 120.45 2ist h VAL 104 Ca -0.47 -1.76 -0.36 0.00 0.82 0.00 0.00 66.70 64.93 2ist h VAL 104 Cb 1.21 2.74 -0.28 0.00 -1.52 0.00 0.00 31.29 33.44 2ist h VAL 104 CO 0.64 0.46 -0.77 -2.28 0.02 0.00 0.00 177.57 175.65 2ist s HIS 105 N -3.27 0.68 0.37 1.57 2.46 -1.26 -1.43 115.29 114.40 2ist s HIS 105 Ca -0.17 -0.17 -0.26 0.00 0.47 0.00 0.00 55.06 54.93 2ist s HIS 105 Cb -0.00 -0.43 -0.12 0.00 -0.13 0.00 0.00 32.58 31.90 2ist s HIS 105 CO 0.70 -0.01 1.16 -2.30 -2.47 0.00 0.00 174.74 171.81 2ist n PRO 106 N 2.72 1.73 -1.72 2.88 -0.02 -1.26 -5.00 135.00 134.34 2ist n PRO 106 Ca -0.14 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 61.94 2ist n PRO 106 Cb 0.57 -2.17 0.01 0.00 -0.02 0.00 0.00 33.50 31.89 2ist n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ist n GLY 107 N 0.97 1.55 3.66 -1.23 0.00 -0.84 -5.01 105.19 104.29 2ist n GLY 107 Ca 0.07 -1.03 -0.49 0.00 0.00 0.00 0.00 46.02 44.57 2ist n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ist n ALA 108 N -2.50 0.52 0.00 4.61 0.00 -1.26 -0.68 120.51 121.21 2ist n ALA 108 Ca -0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2ist n ALA 108 Cb 0.13 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2ist n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ist n GLY 109 N 3.47 3.25 2.29 0.00 0.00 -1.26 -4.90 105.19 108.04 2ist n GLY 109 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2ist n GLY 109 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ist n ASN 110 N 0.00 -0.12 0.18 1.61 4.13 0.14 -4.97 115.26 116.23 2ist n ASN 110 Ca 0.00 -2.54 0.05 0.00 1.68 0.00 0.00 54.58 53.77 2ist n ASN 110 Cb 0.00 -0.60 0.51 0.00 -1.54 0.00 0.00 39.78 38.15 2ist n ASN 110 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2ist h PRO 111 N 4.77 0.13 0.00 3.52 0.13 -1.90 -2.23 132.00 136.42 2ist h PRO 111 Ca 0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2ist h PRO 111 Cb 0.89 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2ist h PRO 111 CO 0.42 0.19 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 2ist n ASP 112 N -4.41 0.00 -0.38 1.44 5.75 -1.26 -4.77 116.55 112.92 2ist n ASP 112 Ca -0.01 -0.79 -0.04 0.00 -0.01 0.00 0.00 54.79 53.93 2ist n ASP 112 Cb 0.17 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.25 2ist n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ist n GLY 113 N 0.00 0.55 3.87 6.12 0.00 -1.26 -4.98 105.19 109.49 2ist n GLY 113 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 2ist n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ist s THR 114 N -2.17 2.42 0.36 2.61 -4.23 -1.26 -4.56 115.64 108.81 2ist s THR 114 Ca 0.00 -1.40 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 2ist s THR 114 Cb 0.00 -2.81 0.29 0.00 1.34 0.00 0.00 72.50 71.32 2ist s THR 114 CO 0.00 0.00 1.97 0.58 -0.54 0.00 0.00 174.62 176.63 2ist h VAL 115 N 0.99 1.05 -0.21 2.29 2.07 -0.59 -1.58 116.25 120.26 2ist h VAL 115 Ca -0.40 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2ist h VAL 115 Cb 1.27 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2ist h VAL 115 CO 0.58 0.14 0.13 0.25 0.02 0.00 0.00 177.57 178.69 2ist h LEU 116 N 0.76 0.25 -0.78 2.57 6.46 -1.50 0.13 115.31 123.20 2ist h LEU 116 Ca 0.29 -0.03 0.10 0.00 -0.12 0.00 0.00 57.88 58.13 2ist h LEU 116 Cb 0.19 -0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 39.99 2ist h LEU 116 CO -0.09 0.20 0.41 0.78 -0.62 0.00 0.00 178.44 179.12 2ist h ASN 117 N 0.27 0.55 -0.47 1.25 4.21 -1.68 -1.32 115.58 118.39 2ist h ASN 117 Ca 0.08 0.06 0.02 0.00 1.21 0.00 0.00 56.30 57.67 2ist h ASN 117 Cb -0.01 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.13 2ist h ASN 117 CO -0.02 0.30 0.28 0.00 -1.29 0.00 0.00 177.43 176.71 2ist h ALA 118 N 1.46 0.60 -0.32 -0.83 0.00 -0.85 -0.96 119.26 118.36 2ist h ALA 118 Ca 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2ist h ALA 118 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ist h ALA 118 CO -0.28 -0.03 0.13 -0.07 0.00 0.00 0.00 179.25 179.00 2ist h LEU 119 N 0.56 0.44 -1.62 0.00 3.38 -0.47 -0.73 115.31 116.87 2ist h LEU 119 Ca 0.19 -0.17 0.17 0.00 0.09 0.00 0.00 57.88 58.16 2ist h LEU 119 Cb 0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2ist h LEU 119 CO -0.08 0.49 0.54 -0.07 0.09 0.00 0.00 178.44 179.40 2ist h LEU 120 N 0.37 0.34 0.02 1.67 3.38 -1.18 -0.48 115.31 119.42 2ist h LEU 120 Ca 0.11 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2ist h LEU 120 Cb 0.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2ist h LEU 120 CO -0.01 0.16 -0.01 -0.74 0.09 0.00 0.00 178.44 177.93 2ist h HIS 121 N 0.35 -0.02 -0.64 1.13 2.76 -1.15 -3.05 115.15 114.53 2ist h HIS 121 Ca 0.40 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.58 2ist h HIS 121 Cb 1.03 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.96 2ist h HIS 121 CO -0.00 0.75 0.41 -0.92 -1.30 0.00 0.00 177.93 176.87 2ist h TYR 122 N -0.89 0.77 -2.07 5.26 3.20 -0.84 -3.37 116.97 119.03 2ist h TYR 122 Ca -0.00 0.02 -0.52 0.00 3.14 0.00 0.00 58.73 61.36 2ist h TYR 122 Cb 0.78 -0.26 -0.35 0.00 1.54 0.00 0.00 36.73 38.44 2ist h TYR 122 CO 0.20 0.46 -0.93 0.98 -1.64 0.00 0.00 178.16 177.24 2ist n TYR 123 N -4.68 -1.25 -0.36 -3.82 9.36 -0.22 -5.03 117.16 111.17 2ist n TYR 123 Ca 0.06 -3.08 0.29 0.00 3.32 0.00 0.00 57.90 58.49 2ist n TYR 123 Cb 0.05 0.34 0.59 0.00 -0.63 0.00 0.00 39.34 39.69 2ist n TYR 123 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 2ist h PRO 124 N 5.22 0.24 0.00 2.98 0.11 -1.71 -1.05 132.00 137.78 2ist h PRO 124 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2ist h PRO 124 Cb 0.93 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2ist h PRO 124 CO 0.34 0.16 0.01 -2.30 -0.21 0.00 0.00 178.00 176.00 2ist n PRO 125 N -4.55 0.11 0.21 1.05 -0.02 -1.26 -1.57 135.00 128.97 2ist n PRO 125 Ca 0.28 0.61 0.15 0.00 -2.02 0.00 0.00 63.50 62.52 2ist n PRO 125 Cb 1.09 -1.87 0.69 0.00 -0.02 0.00 0.00 33.50 33.39 2ist n PRO 125 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2ist h ILE 126 N 0.00 0.00 -0.01 4.25 2.10 -1.45 -2.40 117.51 120.01 2ist h ILE 126 Ca 0.00 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.74 2ist h ILE 126 Cb 0.02 0.97 -0.00 0.00 -1.09 0.00 0.00 36.82 36.72 2ist h ILE 126 CO 0.00 0.00 0.08 0.00 -1.08 0.00 0.00 178.15 177.15 2ist h ALA 127 N 2.09 1.13 -0.00 0.18 0.00 -1.50 -1.14 119.26 120.01 2ist h ALA 127 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ist h ALA 127 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ist h ALA 127 CO 0.00 -0.09 -0.11 -0.25 0.00 0.00 0.00 179.25 178.80 2ist n ASP 128 N -3.09 0.19 -4.77 0.00 8.00 -0.90 -4.80 116.55 111.17 2ist n ASP 128 Ca -0.03 0.01 -0.36 0.00 0.71 0.00 0.00 54.79 55.13 2ist n ASP 128 Cb 0.15 -0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 40.94 2ist n ASP 128 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ist s VAL 129 N -2.80 5.44 0.07 2.53 1.01 -0.43 -4.85 120.40 121.36 2ist s VAL 129 Ca 0.20 0.20 -0.37 0.00 0.00 0.00 0.00 61.98 62.00 2ist s VAL 129 Cb 0.19 -3.45 -0.17 0.00 0.00 0.00 0.00 36.38 32.94 2ist s VAL 129 CO 0.53 0.49 1.27 -2.65 0.00 0.00 0.00 175.10 174.74 2ist n PRO 130 N 3.09 0.89 -3.57 2.72 -0.02 -1.26 -1.60 135.00 135.24 2ist n PRO 130 Ca -0.17 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.36 2ist n PRO 130 Cb 0.53 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 32.09 2ist n PRO 130 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ist n ARG 131 N 2.26 -4.39 -3.33 -0.52 1.74 -1.26 -1.09 116.66 110.07 2ist n ARG 131 Ca 0.19 0.58 -0.23 0.00 -0.77 0.00 0.00 57.85 57.61 2ist n ARG 131 Cb 0.17 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.23 2ist n ARG 131 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ist n ALA 132 N -4.01 -1.06 -1.02 7.54 0.00 -0.63 -1.41 120.51 119.92 2ist n ALA 132 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.55 2ist n ALA 132 Cb 0.54 -3.01 -0.00 0.00 0.00 0.00 0.00 19.45 16.98 2ist n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ist n GLY 133 N -1.24 0.30 3.67 0.00 0.00 -0.25 -4.77 105.19 102.89 2ist n GLY 133 Ca -0.03 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2ist n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ist s ILE 134 N -1.51 3.91 -0.17 -0.61 1.01 -0.50 -1.02 121.20 122.32 2ist s ILE 134 Ca 0.00 1.19 0.05 0.00 0.00 0.00 0.00 60.65 61.88 2ist s ILE 134 Cb 0.00 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2ist s ILE 134 CO 0.00 -0.06 0.18 1.33 0.00 0.00 0.00 174.94 176.38 2ist n VAL 135 N 5.10 0.00 -3.65 2.92 0.24 -1.26 -4.84 118.33 116.85 2ist n VAL 135 Ca 0.14 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 2ist n VAL 135 Cb 0.44 0.88 -0.05 0.00 -1.47 0.00 0.00 33.84 33.64 2ist n VAL 135 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 2ist s HIS 136 N -1.61 -0.24 0.30 6.34 -3.43 -1.26 -5.00 115.29 110.39 2ist s HIS 136 Ca 0.01 0.07 0.07 0.00 -0.80 0.00 0.00 55.06 54.41 2ist s HIS 136 Cb 0.03 0.24 -0.03 0.00 -1.43 0.00 0.00 32.58 31.39 2ist s HIS 136 CO 0.19 -0.64 0.25 -0.98 -2.00 0.00 0.00 174.74 171.56 2ist s ARG 137 N -3.12 2.82 0.04 -0.38 1.70 -1.26 -4.93 118.95 113.82 2ist s ARG 137 Ca -0.01 -1.18 0.05 0.00 -0.47 0.00 0.00 55.73 54.12 2ist s ARG 137 Cb 0.01 -2.52 -0.02 0.00 -0.57 0.00 0.00 34.95 31.84 2ist s ARG 137 CO -0.07 0.24 -0.15 -0.51 -1.08 0.00 0.00 175.30 173.72 2ist s LEU 138 N -3.93 2.18 0.81 -1.89 1.43 -1.26 -5.10 118.68 110.92 2ist s LEU 138 Ca 0.37 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 2ist s LEU 138 Cb -0.07 -0.67 0.08 0.00 0.03 0.00 0.00 46.19 45.57 2ist s LEU 138 CO 0.26 0.05 1.18 -1.81 0.23 0.00 0.00 176.35 176.26 2ist s ASP 139 N -1.17 3.68 0.24 2.29 1.01 -1.26 -4.40 116.67 117.06 2ist s ASP 139 Ca 0.03 2.27 -0.06 0.00 0.71 0.00 0.00 52.55 55.49 2ist s ASP 139 Cb -0.08 -2.58 0.43 0.00 1.01 0.00 0.00 42.92 41.70 2ist s ASP 139 CO 0.01 -2.60 1.68 0.50 0.21 0.00 0.00 175.17 174.97 2ist h LYS 140 N -0.98 0.22 -0.48 8.23 3.64 -1.96 -2.28 116.57 122.96 2ist h LYS 140 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2ist h LYS 140 Cb 1.28 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2ist h LYS 140 CO 0.46 0.15 0.00 -0.25 -2.27 0.00 0.00 179.45 177.54 2ist n ASP 141 N -5.19 5.03 -4.76 4.20 8.00 -1.26 -1.96 116.55 120.60 2ist n ASP 141 Ca 0.13 -2.91 -0.37 0.00 0.71 0.00 0.00 54.79 52.35 2ist n ASP 141 Cb 0.44 -0.63 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 2ist n ASP 141 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ist s THR 142 N -2.69 5.25 0.29 -3.53 2.01 -0.86 -4.51 115.64 111.60 2ist s THR 142 Ca 0.50 0.62 0.05 0.00 0.31 0.00 0.00 61.69 63.17 2ist s THR 142 Cb 0.38 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 2ist s THR 142 CO 0.14 0.44 0.42 0.42 -0.69 0.00 0.00 174.62 175.36 2ist s THR 143 N 0.03 4.82 -0.26 -0.82 -4.23 -1.16 -4.55 115.64 109.47 2ist s THR 143 Ca 0.19 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 2ist s THR 143 Cb -0.14 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.00 2ist s THR 143 CO 0.07 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 2ist n GLY 144 N -1.54 0.52 3.76 3.99 0.00 0.05 0.16 105.19 112.12 2ist n GLY 144 Ca -0.05 -2.27 -0.40 0.00 0.00 0.00 0.00 46.02 43.29 2ist n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ist s LEU 145 N 0.00 4.49 0.00 0.99 1.43 -0.62 -0.20 118.68 124.78 2ist s LEU 145 Ca 0.00 2.48 -0.00 0.00 -1.03 0.00 0.00 54.13 55.58 2ist s LEU 145 Cb 0.00 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 2ist s LEU 145 CO 0.00 -0.34 -0.01 -0.04 0.23 0.00 0.00 176.35 176.19 2ist s MET 146 N -1.62 0.09 -0.09 1.70 -1.94 -0.93 -4.87 119.30 111.64 2ist s MET 146 Ca 0.47 -0.16 -0.02 0.00 -1.71 0.00 0.00 55.69 54.27 2ist s MET 146 Cb -0.36 0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.48 2ist s MET 146 CO 0.47 -0.01 0.00 0.54 -0.01 0.00 0.00 175.02 176.01 2ist s VAL 147 N -0.39 4.30 -0.04 -6.03 0.11 -1.26 -1.95 120.40 115.14 2ist s VAL 147 Ca -0.04 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 2ist s VAL 147 Cb -0.03 -2.81 0.02 0.00 -1.53 0.00 0.00 36.38 32.03 2ist s VAL 147 CO -0.00 0.60 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.62 2ist s VAL 148 N -0.86 0.61 0.08 2.04 1.01 -0.35 -4.14 120.40 118.79 2ist s VAL 148 Ca 0.13 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 2ist s VAL 148 Cb -0.11 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 2ist s VAL 148 CO 0.02 0.23 0.85 0.00 0.00 0.00 0.00 175.10 176.20 2ist s ALA 149 N 0.70 3.32 -0.27 5.51 0.00 -0.19 -0.59 121.76 130.25 2ist s ALA 149 Ca -0.10 0.41 0.22 0.00 0.00 0.00 0.00 51.96 52.49 2ist s ALA 149 Cb -0.13 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2ist s ALA 149 CO 0.01 0.04 0.88 1.63 0.00 0.00 0.00 175.76 178.32 2ist n LYS 150 N 2.72 0.54 -4.29 0.00 5.02 0.10 -4.13 118.16 118.13 2ist n LYS 150 Ca -0.01 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 2ist n LYS 150 Cb 0.50 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 33.72 2ist n LYS 150 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2ist s THR 151 N -3.37 1.25 0.05 -0.18 -4.23 -1.25 -4.63 115.64 103.27 2ist s THR 151 Ca -0.02 -2.08 -0.25 0.00 -1.18 0.00 0.00 61.69 58.16 2ist s THR 151 Cb 0.12 -2.02 -0.17 0.00 1.34 0.00 0.00 72.50 71.77 2ist s THR 151 CO 0.83 -0.61 1.53 0.58 -0.54 0.00 0.00 174.62 176.41 2ist h VAL 152 N 2.65 1.00 -0.60 2.29 2.07 -1.94 -1.37 116.25 120.36 2ist h VAL 152 Ca -0.37 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 66.82 2ist h VAL 152 Cb 1.20 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 2ist h VAL 152 CO 0.64 0.10 0.27 -0.65 0.02 0.00 0.00 177.57 177.94 2ist h PRO 153 N -0.32 0.48 -0.56 1.57 0.11 -2.00 -2.23 132.00 129.04 2ist h PRO 153 Ca -0.01 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.13 2ist h PRO 153 Cb 0.27 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.21 2ist h PRO 153 CO 0.02 0.31 0.25 0.00 -0.21 0.00 0.00 178.00 178.38 2ist h ALA 154 N 1.37 0.72 -0.15 -0.75 0.00 -1.86 -2.14 119.26 116.44 2ist h ALA 154 Ca 0.29 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2ist h ALA 154 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ist h ALA 154 CO -0.24 -0.13 0.07 0.37 0.00 0.00 0.00 179.25 179.32 2ist h GLN 155 N 0.47 0.22 -0.55 0.00 -0.00 -0.96 -0.71 115.11 113.58 2ist h GLN 155 Ca 0.26 -0.04 0.05 0.00 -0.00 0.00 0.00 58.65 58.93 2ist h GLN 155 Cb 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 27.63 2ist h GLN 155 CO -0.22 0.28 0.27 1.15 0.00 0.00 0.00 178.83 180.31 2ist h THR 156 N 0.10 0.93 -0.29 2.39 2.02 -1.25 -0.84 112.91 115.97 2ist h THR 156 Ca 0.05 -0.18 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 2ist h THR 156 Cb 0.14 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2ist h THR 156 CO -0.01 0.09 -0.35 0.03 0.37 0.00 0.00 175.52 175.66 2ist h ARG 157 N 0.51 0.64 -0.35 6.66 3.08 -1.28 -1.79 114.38 121.85 2ist h ARG 157 Ca 0.25 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 2ist h ARG 157 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2ist h ARG 157 CO -0.18 0.89 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.45 2ist h LEU 158 N 0.54 0.68 -0.57 3.04 3.38 -0.80 -1.31 115.31 120.27 2ist h LEU 158 Ca 0.06 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.71 2ist h LEU 158 Cb 0.85 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2ist h LEU 158 CO 0.07 0.89 0.29 0.58 0.09 0.00 0.00 178.44 180.36 2ist h VAL 159 N 0.46 0.95 -0.51 1.22 2.07 -1.07 -1.17 116.25 118.21 2ist h VAL 159 Ca 0.09 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2ist h VAL 159 Cb 0.59 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2ist h VAL 159 CO 0.03 0.10 0.32 -0.33 0.02 0.00 0.00 177.57 177.72 2ist h GLU 160 N 0.56 0.63 -0.64 1.57 5.08 -1.20 -1.34 114.58 119.23 2ist h GLU 160 Ca 0.25 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 2ist h GLU 160 Cb 0.16 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2ist h GLU 160 CO -0.17 0.42 0.42 0.77 -1.00 0.00 0.00 179.01 179.45 2ist h SER 161 N 0.65 0.55 -0.10 1.42 0.02 -0.88 -1.20 113.55 114.01 2ist h SER 161 Ca 0.20 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2ist h SER 161 Cb -0.03 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.40 2ist h SER 161 CO -0.07 0.36 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.68 2ist h LEU 162 N 0.63 0.38 -1.43 5.07 3.38 -0.60 0.24 115.31 122.98 2ist h LEU 162 Ca 0.28 -0.57 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2ist h LEU 162 Cb 0.29 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2ist h LEU 162 CO -0.09 0.88 0.43 1.56 0.09 0.00 0.00 178.44 181.31 2ist h GLN 163 N -0.10 0.72 -0.11 1.13 4.20 -0.92 0.63 115.11 120.67 2ist h GLN 163 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2ist h GLN 163 Cb 0.83 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2ist h GLN 163 CO 0.05 0.47 0.00 0.54 -0.67 0.00 0.00 178.83 179.22 2ist n ARG 164 N -4.47 1.48 -3.76 1.46 1.74 -0.48 -4.93 116.66 107.70 2ist n ARG 164 Ca 0.08 -0.72 -0.25 0.00 -0.77 0.00 0.00 57.85 56.19 2ist n ARG 164 Cb 0.16 -1.36 0.04 0.00 -1.02 0.00 0.00 32.46 30.28 2ist n ARG 164 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ist n ARG 165 N -0.06 -5.80 -0.11 5.56 3.00 0.21 -4.91 116.66 114.55 2ist n ARG 165 Ca 0.15 0.66 0.09 0.00 -0.01 0.00 0.00 57.85 58.75 2ist n ARG 165 Cb 0.24 -5.48 0.15 0.00 0.00 0.00 0.00 32.46 27.37 2ist n ARG 165 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2ist n GLU 166 N -4.56 2.06 -3.95 5.56 1.02 0.79 -4.89 120.64 116.67 2ist n GLU 166 Ca -0.11 -1.93 -0.35 0.00 -0.02 0.00 0.00 57.16 54.75 2ist n GLU 166 Cb 0.59 -1.40 -0.12 0.00 -0.02 0.00 0.00 31.44 30.50 2ist n GLU 166 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2ist s ILE 167 N -1.36 4.37 -0.17 -3.67 1.01 -1.24 -4.50 121.20 115.64 2ist s ILE 167 Ca 0.29 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.57 2ist s ILE 167 Cb 0.18 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 2ist s ILE 167 CO 0.25 0.40 0.57 -0.89 0.00 0.00 0.00 174.94 175.27 2ist s THR 168 N 1.02 5.09 -0.27 2.92 2.01 0.25 -4.97 115.64 121.68 2ist s THR 168 Ca 0.03 1.10 0.01 0.00 0.31 0.00 0.00 61.69 63.14 2ist s THR 168 Cb -0.14 -3.90 0.08 0.00 0.01 0.00 0.00 72.50 68.55 2ist s THR 168 CO 0.03 0.19 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.01 2ist s ARG 169 N 1.42 1.49 -0.05 4.92 0.52 -1.26 -1.52 118.95 124.47 2ist s ARG 169 Ca 0.28 -1.23 -0.02 0.00 -0.52 0.00 0.00 55.73 54.24 2ist s ARG 169 Cb -0.16 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 2ist s ARG 169 CO 0.11 -0.73 0.06 -2.00 0.02 0.00 0.00 175.30 172.76 2ist s GLU 170 N 1.30 3.11 0.19 3.54 2.12 -0.46 -2.37 118.70 126.12 2ist s GLU 170 Ca 0.00 -0.39 0.08 0.00 0.36 0.00 0.00 54.97 55.02 2ist s GLU 170 Cb -0.19 -2.90 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 2ist s GLU 170 CO -0.10 0.69 -0.15 0.71 -0.54 0.00 0.00 175.26 175.87 2ist s TYR 171 N -1.06 1.72 -0.03 5.30 1.51 0.10 -0.68 117.35 124.21 2ist s TYR 171 Ca 0.18 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.74 2ist s TYR 171 Cb -0.12 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 2ist s TYR 171 CO 0.08 0.34 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.69 2ist s GLU 172 N -3.40 2.37 0.04 -0.62 2.12 0.09 -1.38 118.70 117.92 2ist s GLU 172 Ca 0.20 -0.77 -0.09 0.00 0.36 0.00 0.00 54.97 54.67 2ist s GLU 172 Cb -0.02 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 32.09 2ist s GLU 172 CO 0.07 0.60 0.17 0.00 -0.54 0.00 0.00 175.26 175.56 2ist s ALA 173 N -0.72 -0.31 -0.18 6.30 0.00 -0.36 -1.11 121.76 125.37 2ist s ALA 173 Ca 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 2ist s ALA 173 Cb -0.10 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 2ist s ALA 173 CO 0.01 -0.34 -0.08 0.08 0.00 0.00 0.00 175.76 175.43 2ist s VAL 174 N -2.46 3.23 0.16 0.00 1.01 -0.85 -0.39 120.40 121.10 2ist s VAL 174 Ca -0.06 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.43 2ist s VAL 174 Cb -0.02 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2ist s VAL 174 CO -0.03 0.47 -0.05 0.00 0.00 0.00 0.00 175.10 175.49 2ist s ALA 175 N 1.01 3.08 0.18 5.51 0.00 -0.15 -1.46 121.76 129.92 2ist s ALA 175 Ca -0.00 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 2ist s ALA 175 Cb -0.15 -0.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.99 2ist s ALA 175 CO -0.01 0.52 1.00 0.42 0.00 0.00 0.00 175.76 177.70 2ist s ILE 176 N -1.59 4.11 0.00 0.00 1.01 -0.04 -1.38 121.20 123.32 2ist s ILE 176 Ca 0.25 1.90 0.00 0.00 0.00 0.00 0.00 60.65 62.80 2ist s ILE 176 Cb -0.10 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.16 2ist s ILE 176 CO 0.16 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.08 2ist n GLY 177 N 1.87 1.73 3.68 6.18 0.00 0.61 -4.49 105.19 114.77 2ist n GLY 177 Ca 0.01 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 2ist n GLY 177 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ist s HIS 178 N -2.35 3.38 0.00 1.61 2.46 -1.26 -3.21 115.29 115.93 2ist s HIS 178 Ca 0.00 0.60 0.04 0.00 0.47 0.00 0.00 55.06 56.17 2ist s HIS 178 Cb 0.00 -2.49 -0.03 0.00 -0.13 0.00 0.00 32.58 29.93 2ist s HIS 178 CO 0.00 0.02 -0.11 -1.64 -2.47 0.00 0.00 174.74 170.54 2ist s MET 179 N 1.19 2.42 -0.17 2.88 -1.94 -1.26 -5.03 119.30 117.39 2ist s MET 179 Ca 0.18 -0.78 0.09 0.00 -1.71 0.00 0.00 55.69 53.47 2ist s MET 179 Cb -0.14 -2.40 -0.23 0.00 2.01 0.00 0.00 34.83 34.07 2ist s MET 179 CO 0.07 0.59 0.16 0.25 -0.01 0.00 0.00 175.02 176.09 2ist n THR 180 N 1.71 1.52 -3.80 2.05 -2.24 -1.26 -5.02 114.28 107.24 2ist n THR 180 Ca -0.16 -0.74 -0.12 0.00 -2.27 0.00 0.00 64.05 60.76 2ist n THR 180 Cb 0.52 -1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 67.64 2ist n THR 180 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ist s ALA 181 N -2.53 -0.61 1.27 6.98 0.00 -1.26 -5.09 121.76 120.52 2ist s ALA 181 Ca -0.17 0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 2ist s ALA 181 Cb 0.07 0.15 0.31 0.00 0.00 0.00 0.00 23.12 23.65 2ist s ALA 181 CO 0.76 -0.28 1.06 0.20 0.00 0.00 0.00 175.76 177.49 2ist s GLY 182 N -1.55 1.53 0.00 0.00 0.00 -1.26 -4.86 107.32 101.19 2ist s GLY 182 Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2ist s GLY 182 CO 0.02 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.74 2ist n GLY 183 N -0.25 -0.56 2.94 0.20 0.00 -0.07 -4.99 105.19 102.46 2ist n GLY 183 Ca 0.13 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 2ist n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ist s THR 184 N -3.59 -0.03 -0.26 2.61 2.01 -1.26 -1.28 115.64 113.84 2ist s THR 184 Ca 0.00 0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 2ist s THR 184 Cb 0.00 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 2ist s THR 184 CO 0.00 0.05 0.07 -0.69 -0.69 0.00 0.00 174.62 173.35 2ist s VAL 185 N 0.74 4.19 -0.45 3.82 1.01 0.11 -5.00 120.40 124.82 2ist s VAL 185 Ca -0.06 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2ist s VAL 185 Cb -0.07 -2.99 0.13 0.00 0.00 0.00 0.00 36.38 33.44 2ist s VAL 185 CO -0.03 0.30 0.24 -0.62 0.00 0.00 0.00 175.10 174.98 2ist s ASP 186 N 1.59 3.76 -0.11 3.32 -1.08 -1.26 -1.23 116.67 121.66 2ist s ASP 186 Ca 0.06 -2.68 -0.06 0.00 -0.52 0.00 0.00 52.55 49.35 2ist s ASP 186 Cb -0.15 -1.13 0.05 0.00 -1.46 0.00 0.00 42.92 40.22 2ist s ASP 186 CO 0.03 -0.26 0.26 -1.61 0.52 0.00 0.00 175.17 174.11 2ist s GLU 187 N 0.26 0.22 0.57 4.34 0.41 -0.79 -4.97 118.70 118.74 2ist s GLU 187 Ca 0.17 0.55 -0.17 0.00 -0.41 0.00 0.00 54.97 55.11 2ist s GLU 187 Cb -0.25 -0.11 -0.05 0.00 -1.78 0.00 0.00 34.13 31.95 2ist s GLU 187 CO 0.00 -0.16 1.06 -1.25 -0.49 0.00 0.00 175.26 174.43 2ist s PRO 188 N 1.25 3.39 -0.04 0.39 0.04 -1.26 -3.85 135.00 134.93 2ist s PRO 188 Ca -0.09 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.30 2ist s PRO 188 Cb -0.10 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2ist s PRO 188 CO -0.09 -0.76 -0.25 0.42 0.04 0.00 0.00 177.00 176.37 2ist s ILE 189 N -2.29 2.14 0.33 0.56 1.01 0.68 -1.57 121.20 122.05 2ist s ILE 189 Ca 0.65 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2ist s ILE 189 Cb -0.17 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2ist s ILE 189 CO 0.33 0.58 0.17 -0.55 0.00 0.00 0.00 174.94 175.46 2ist s SER 190 N -0.41 1.84 0.44 3.58 0.15 0.10 -0.87 113.70 118.53 2ist s SER 190 Ca 0.04 -1.61 -0.25 0.00 0.70 0.00 0.00 55.95 54.83 2ist s SER 190 Cb -0.12 0.43 -0.08 0.00 -1.71 0.00 0.00 66.02 64.54 2ist s SER 190 CO 0.01 -0.92 1.35 -0.13 1.20 0.00 0.00 173.24 174.76 2ist s ARG 191 N -3.74 3.77 0.17 5.44 1.81 -1.26 -0.80 118.95 124.34 2ist s ARG 191 Ca 0.34 2.26 -0.31 0.00 -1.72 0.00 0.00 55.73 56.30 2ist s ARG 191 Cb 0.04 -2.66 -0.09 0.00 -0.45 0.00 0.00 34.95 31.79 2ist s ARG 191 CO 0.18 -0.69 1.40 -1.58 -0.68 0.00 0.00 175.30 173.93 2ist s HIS 192 N -1.25 3.18 0.27 -0.53 5.65 -0.77 -4.58 115.29 117.26 2ist s HIS 192 Ca 0.60 1.01 -0.00 0.00 0.25 0.00 0.00 55.06 56.92 2ist s HIS 192 Cb -0.40 -3.71 0.56 0.00 -1.18 0.00 0.00 32.58 27.84 2ist s HIS 192 CO 0.51 -2.41 1.77 -1.35 -0.65 0.00 0.00 174.74 172.61 2ist h PRO 193 N 6.02 0.63 0.00 2.88 0.11 -1.93 -3.33 132.00 136.38 2ist h PRO 193 Ca -0.44 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ist h PRO 193 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2ist h PRO 193 CO 0.83 0.42 -1.15 0.25 -0.21 0.00 0.00 178.00 178.13 2ist n THR 194 N -4.85 0.01 -3.65 -1.15 -2.24 -1.26 -4.97 114.28 96.17 2ist n THR 194 Ca 0.18 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.49 2ist n THR 194 Cb 0.45 0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 68.96 2ist n THR 194 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ist s LYS 195 N -2.22 2.65 0.31 -0.78 1.02 -1.25 -4.97 119.74 114.50 2ist s LYS 195 Ca -0.01 -1.28 0.25 0.00 0.02 0.00 0.00 55.97 54.95 2ist s LYS 195 Cb 0.02 -3.66 1.06 0.00 -0.52 0.00 0.00 37.83 34.73 2ist s LYS 195 CO 0.14 -0.80 1.76 0.00 -0.92 0.00 0.00 175.35 175.53 2ist h ARG 196 N 8.35 0.00 0.00 1.68 3.08 -1.93 -1.88 114.38 123.68 2ist h ARG 196 Ca -0.23 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 2ist h ARG 196 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2ist h ARG 196 CO 0.68 0.00 -0.48 1.79 -1.07 0.00 0.00 179.97 180.89 2ist h THR 197 N 0.00 0.45 -2.96 2.04 1.35 -1.94 -3.48 112.91 108.37 2ist h THR 197 Ca 0.00 -1.66 -0.58 0.00 -0.55 0.00 0.00 66.41 63.61 2ist h THR 197 Cb 0.39 2.15 -0.03 0.00 -1.73 0.00 0.00 68.15 68.92 2ist h THR 197 CO 0.00 0.26 -0.40 -1.00 -0.25 0.00 0.00 175.52 174.12 2ist s HIS 198 N -3.08 3.49 0.40 4.73 3.76 -0.71 -5.06 115.29 118.83 2ist s HIS 198 Ca 0.04 0.36 0.08 0.00 -0.15 0.00 0.00 55.06 55.39 2ist s HIS 198 Cb 0.07 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.91 2ist s HIS 198 CO 0.73 0.49 0.52 -1.64 -0.85 0.00 0.00 174.74 174.00 2ist s MET 199 N -2.77 2.84 -0.06 1.40 1.00 -1.26 -1.85 119.30 118.59 2ist s MET 199 Ca 0.38 -1.24 -0.24 0.00 0.00 0.00 0.00 55.69 54.59 2ist s MET 199 Cb -0.12 -2.72 0.05 0.00 0.00 0.00 0.00 34.83 32.04 2ist s MET 199 CO 0.27 -0.20 0.53 0.00 0.00 0.00 0.00 175.02 175.63 2ist s ALA 200 N -2.34 -1.37 0.26 3.03 0.00 0.02 -4.51 121.76 116.85 2ist s ALA 200 Ca 0.52 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 2ist s ALA 200 Cb -0.09 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.82 2ist s ALA 200 CO 0.32 -0.32 1.34 0.08 0.00 0.00 0.00 175.76 177.18 2ist s VAL 201 N -1.02 2.92 -0.28 0.00 1.01 -1.26 -0.72 120.40 121.04 2ist s VAL 201 Ca -0.10 0.81 -0.16 0.00 0.00 0.00 0.00 61.98 62.53 2ist s VAL 201 Cb -0.02 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 32.93 2ist s VAL 201 CO 0.07 0.15 0.75 -2.28 0.00 0.00 0.00 175.10 173.79 2ist s HIS 202 N -0.35 -0.95 0.49 5.22 5.04 -0.61 -4.85 115.29 119.26 2ist s HIS 202 Ca 0.55 1.92 0.23 0.00 -1.54 0.00 0.00 55.06 56.22 2ist s HIS 202 Cb -0.39 0.57 1.28 0.00 0.04 0.00 0.00 32.58 34.08 2ist s HIS 202 CO 0.44 -0.47 1.93 -1.35 -2.34 0.00 0.00 174.74 172.95 2ist h PRO 203 N 6.73 0.17 -0.62 2.88 0.11 -1.95 0.04 132.00 139.36 2ist h PRO 203 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2ist h PRO 203 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ist h PRO 203 CO 0.16 0.11 0.00 -1.33 -0.21 0.00 0.00 178.00 176.74 2ist n MET 204 N -4.40 3.09 -1.03 1.05 2.81 -1.26 -4.92 117.12 112.46 2ist n MET 204 Ca 0.15 -2.22 -0.14 0.00 -1.81 0.00 0.00 57.70 53.67 2ist n MET 204 Cb 0.69 -1.74 0.10 0.00 -0.71 0.00 0.00 33.22 31.56 2ist n MET 204 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ist n GLY 205 N 0.99 -1.06 3.74 3.03 0.00 -0.00 -4.95 105.19 106.94 2ist n GLY 205 Ca 0.20 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 2ist n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ist s LYS 206 N -4.35 4.60 0.39 1.61 3.01 -0.05 -4.56 119.74 120.38 2ist s LYS 206 Ca 0.37 1.24 -0.27 0.00 -1.01 0.00 0.00 55.97 56.31 2ist s LYS 206 Cb -0.01 -3.36 -0.11 0.00 -1.01 0.00 0.00 37.83 33.35 2ist s LYS 206 CO 0.26 0.29 1.30 -2.30 0.51 0.00 0.00 175.35 175.41 2ist n PRO 207 N 2.63 2.07 -3.69 -1.68 -0.02 -1.26 -0.23 135.00 132.83 2ist n PRO 207 Ca -0.01 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 2ist n PRO 207 Cb 0.49 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 2ist n PRO 207 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ist s ALA 208 N -1.15 -1.20 -0.07 3.55 0.00 -1.25 -4.82 121.76 116.81 2ist s ALA 208 Ca 0.58 1.68 0.01 0.00 0.00 0.00 0.00 51.96 54.23 2ist s ALA 208 Cb -0.53 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 21.60 2ist s ALA 208 CO 0.60 -0.28 -0.09 0.08 0.00 0.00 0.00 175.76 176.07 2ist s VAL 209 N 1.39 0.94 -0.07 0.00 1.01 -1.26 -1.89 120.40 120.53 2ist s VAL 209 Ca -0.09 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2ist s VAL 209 Cb -0.08 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2ist s VAL 209 CO -0.13 0.33 -0.18 -0.89 0.00 0.00 0.00 175.10 174.22 2ist s THR 210 N 1.07 1.57 -0.01 3.92 2.01 -0.36 -1.55 115.64 122.30 2ist s THR 210 Ca -0.07 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2ist s THR 210 Cb -0.14 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2ist s THR 210 CO -0.01 0.45 0.04 -1.00 -0.69 0.00 0.00 174.62 173.41 2ist s HIS 211 N 0.34 3.18 -0.01 4.92 3.76 0.08 -0.71 115.29 126.84 2ist s HIS 211 Ca -0.12 0.14 -0.04 0.00 -0.15 0.00 0.00 55.06 54.89 2ist s HIS 211 Cb -0.15 -1.70 -0.00 0.00 1.11 0.00 0.00 32.58 31.83 2ist s HIS 211 CO 0.05 0.50 0.07 1.52 -0.85 0.00 0.00 174.74 176.04 2ist s TYR 212 N -1.13 0.04 0.04 1.40 1.13 -0.40 -0.77 117.35 117.66 2ist s TYR 212 Ca 0.21 -0.08 0.01 0.00 -1.41 0.00 0.00 57.07 55.79 2ist s TYR 212 Cb -0.12 -0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.67 2ist s TYR 212 CO 0.12 -0.16 -0.05 -0.98 -2.51 0.00 0.00 175.55 171.97 2ist s ARG 213 N -0.81 0.46 -0.29 -3.49 1.70 0.41 -0.89 118.95 116.04 2ist s ARG 213 Ca -0.09 -0.80 -0.18 0.00 -0.47 0.00 0.00 55.73 54.19 2ist s ARG 213 Cb -0.05 -0.00 -0.02 0.00 -0.57 0.00 0.00 34.95 34.30 2ist s ARG 213 CO 0.00 -0.03 0.50 0.42 -1.08 0.00 0.00 175.30 175.12 2ist s ILE 214 N -2.01 5.06 -0.03 4.99 1.01 -1.26 -1.14 121.20 127.82 2ist s ILE 214 Ca -0.09 0.72 -0.04 0.00 0.00 0.00 0.00 60.65 61.24 2ist s ILE 214 Cb -0.06 -3.85 -0.28 0.00 0.01 0.00 0.00 42.46 38.28 2ist s ILE 214 CO -0.02 0.01 0.74 0.24 0.00 0.00 0.00 174.94 175.91 2ist h MET 215 N 8.15 0.26 -1.65 2.79 2.86 -0.81 -3.48 114.93 123.04 2ist h MET 215 Ca -0.29 -0.44 0.06 0.00 -2.06 0.00 0.00 59.70 56.97 2ist h MET 215 Cb 1.14 0.16 -0.25 0.00 0.06 0.00 0.00 31.60 32.71 2ist h MET 215 CO 0.72 1.11 0.38 -2.00 1.06 0.00 0.00 176.91 178.18 2ist s GLU 216 N -2.60 0.53 -0.01 1.72 2.12 -1.12 -5.01 118.70 114.32 2ist s GLU 216 Ca -0.12 0.70 -0.14 0.00 0.36 0.00 0.00 54.97 55.77 2ist s GLU 216 Cb 0.07 0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.62 2ist s GLU 216 CO 0.84 -0.07 0.39 -1.01 -0.54 0.00 0.00 175.26 174.86 2ist s HIS 217 N 0.57 3.71 0.44 5.30 3.76 -1.26 -0.76 115.29 127.05 2ist s HIS 217 Ca -0.01 0.95 0.00 0.00 -0.15 0.00 0.00 55.06 55.86 2ist s HIS 217 Cb -0.05 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.38 2ist s HIS 217 CO -0.08 0.64 0.03 1.19 -0.85 0.00 0.00 174.74 175.67 2ist n PHE 218 N 1.89 0.86 0.22 1.40 3.72 -0.60 -4.95 117.46 119.99 2ist n PHE 218 Ca -0.14 -2.13 -0.15 0.00 -0.05 0.00 0.00 57.45 54.98 2ist n PHE 218 Cb 0.53 -0.30 -0.08 0.00 -0.94 0.00 0.00 39.48 38.69 2ist n PHE 218 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ist h ARG 219 N 0.00 -0.52 0.00 -1.08 3.08 -1.94 -3.35 114.38 110.57 2ist h ARG 219 Ca -0.36 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 2ist h ARG 219 Cb 1.09 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.20 2ist h ARG 219 CO 0.59 -0.24 -0.41 1.33 -1.07 0.00 0.00 179.97 180.17 2ist n VAL 220 N -5.24 1.18 -4.14 2.04 0.24 -1.26 -4.76 118.33 106.39 2ist n VAL 220 Ca -0.11 -1.72 -0.10 0.00 -2.04 0.00 0.00 64.34 60.38 2ist n VAL 220 Cb 0.27 0.14 -0.10 0.00 -1.47 0.00 0.00 33.84 32.69 2ist n VAL 220 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2ist s HIS 221 N -1.78 0.86 -0.06 6.34 3.76 -1.22 -0.29 115.29 122.91 2ist s HIS 221 Ca 0.26 -1.23 -0.04 0.00 -0.15 0.00 0.00 55.06 53.90 2ist s HIS 221 Cb 0.25 -0.47 0.03 0.00 1.11 0.00 0.00 32.58 33.49 2ist s HIS 221 CO -0.03 -0.54 0.16 0.99 -0.85 0.00 0.00 174.74 174.47 2ist s THR 222 N -4.05 -0.02 -0.09 1.30 2.01 -0.48 -1.56 115.64 112.75 2ist s THR 222 Ca 0.25 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 62.16 2ist s THR 222 Cb 0.07 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.30 2ist s THR 222 CO 0.02 0.03 0.45 -0.60 -0.69 0.00 0.00 174.62 173.84 2ist s ARG 223 N 0.62 4.24 0.13 4.92 3.52 0.06 -0.98 118.95 131.47 2ist s ARG 223 Ca -0.04 0.43 0.10 0.00 -0.13 0.00 0.00 55.73 56.08 2ist s ARG 223 Cb -0.06 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 2ist s ARG 223 CO -0.03 0.29 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.01 2ist s LEU 224 N 0.19 2.33 -0.02 -0.88 1.43 0.48 -0.08 118.68 122.13 2ist s LEU 224 Ca 0.25 -0.75 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2ist s LEU 224 Cb -0.15 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 2ist s LEU 224 CO 0.11 0.11 -0.18 -0.13 0.23 0.00 0.00 176.35 176.49 2ist s ARG 225 N -2.13 2.32 0.11 1.70 0.52 -0.29 -1.22 118.95 119.96 2ist s ARG 225 Ca 0.12 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 54.59 2ist s ARG 225 Cb -0.09 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 2ist s ARG 225 CO 0.06 0.59 -0.16 -0.51 0.02 0.00 0.00 175.30 175.30 2ist s LEU 226 N -0.85 2.35 -0.03 2.53 1.02 -0.48 -0.45 118.68 122.78 2ist s LEU 226 Ca 0.12 -0.74 0.01 0.00 0.02 0.00 0.00 54.13 53.54 2ist s LEU 226 Cb -0.10 -0.65 0.02 0.00 0.02 0.00 0.00 46.19 45.48 2ist s LEU 226 CO 0.01 -0.07 -0.04 -0.13 0.02 0.00 0.00 176.35 176.14 2ist s ARG 227 N -2.28 0.64 -0.04 1.70 0.52 0.05 -0.73 118.95 118.83 2ist s ARG 227 Ca 0.06 -0.10 -0.06 0.00 -0.52 0.00 0.00 55.73 55.11 2ist s ARG 227 Cb -0.07 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 2ist s ARG 227 CO 0.03 -0.03 0.21 -0.51 0.02 0.00 0.00 175.30 175.02 2ist s LEU 228 N 0.65 4.38 -0.03 2.53 1.43 -1.00 -0.75 118.68 125.90 2ist s LEU 228 Ca -0.08 0.49 0.21 0.00 -1.03 0.00 0.00 54.13 53.73 2ist s LEU 228 Cb -0.11 -2.47 -0.33 0.00 0.03 0.00 0.00 46.19 43.31 2ist s LEU 228 CO -0.00 0.31 0.47 -0.62 0.23 0.00 0.00 176.35 176.73 2ist n GLU 229 N 1.37 0.64 -4.24 1.70 1.02 -0.60 -4.57 120.64 115.96 2ist n GLU 229 Ca -0.14 -0.19 -0.14 0.00 -0.02 0.00 0.00 57.16 56.67 2ist n GLU 229 Cb 0.53 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.35 2ist n GLU 229 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ist s THR 230 N -3.47 0.56 -0.41 2.62 -4.23 -1.25 -4.84 115.64 104.61 2ist s THR 230 Ca -0.08 -1.98 0.11 0.00 -1.18 0.00 0.00 61.69 58.57 2ist s THR 230 Cb 0.14 -2.22 0.39 0.00 1.34 0.00 0.00 72.50 72.14 2ist s THR 230 CO 0.88 -0.37 0.89 0.61 -0.54 0.00 0.00 174.62 176.09 2ist n GLY 231 N -0.27 3.86 3.72 3.99 0.00 -1.26 -4.84 105.19 110.38 2ist n GLY 231 Ca -0.05 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 2ist n GLY 231 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ist s ARG 232 N -2.99 1.80 0.16 1.61 1.81 -1.26 -4.77 118.95 115.30 2ist s ARG 232 Ca 0.40 1.56 -0.32 0.00 -1.72 0.00 0.00 55.73 55.65 2ist s ARG 232 Cb 0.37 -1.81 -0.12 0.00 -0.45 0.00 0.00 34.95 32.94 2ist s ARG 232 CO -0.08 -2.05 1.76 2.41 -0.68 0.00 0.00 175.30 176.65 2ist n THR 233 N -3.38 0.17 -1.84 0.02 -1.04 -1.26 -1.68 114.28 105.27 2ist n THR 233 Ca 0.12 -0.03 -0.20 0.00 -2.04 0.00 0.00 64.05 61.90 2ist n THR 233 Cb 0.51 -1.97 -0.06 0.00 -1.82 0.00 0.00 70.33 66.99 2ist n THR 233 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2ist n HIS 234 N 4.66 -0.31 0.10 -1.42 8.25 -1.26 -4.91 115.22 120.34 2ist n HIS 234 Ca 0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.51 2ist n HIS 234 Cb 0.35 -3.47 -0.06 0.00 1.12 0.00 0.00 29.99 27.94 2ist n HIS 234 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2ist h GLN 235 N 0.00 -0.48 -0.23 -0.41 4.15 -1.69 0.21 115.11 116.66 2ist h GLN 235 Ca -0.42 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.04 2ist h GLN 235 Cb 1.30 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 29.08 2ist h GLN 235 CO 0.58 -0.32 0.12 0.82 -1.93 0.00 0.00 178.83 178.10 2ist h ILE 236 N -0.50 1.01 -0.29 2.39 2.04 -1.91 -0.90 117.51 119.35 2ist h ILE 236 Ca 0.04 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2ist h ILE 236 Cb 0.54 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2ist h ILE 236 CO -0.19 0.05 0.10 0.03 0.00 0.00 0.00 178.15 178.13 2ist h ARG 237 N 0.25 0.22 -0.12 2.37 3.08 -1.82 -0.06 114.38 118.29 2ist h ARG 237 Ca 0.09 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 2ist h ARG 237 Cb 0.01 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.02 2ist h ARG 237 CO -0.05 0.14 -0.48 -0.24 -1.07 0.00 0.00 179.97 178.27 2ist h VAL 238 N 0.22 1.36 -0.67 2.04 3.04 -0.90 -1.16 116.25 120.18 2ist h VAL 238 Ca 0.13 -1.78 0.03 0.00 -1.01 0.00 0.00 66.70 64.07 2ist h VAL 238 Cb 0.10 2.12 -0.04 0.00 -2.01 0.00 0.00 31.29 31.46 2ist h VAL 238 CO -0.14 0.54 0.41 0.45 -1.01 0.00 0.00 177.57 177.82 2ist h HIS 239 N 0.16 0.77 -0.26 3.17 3.86 -1.06 0.20 115.15 121.99 2ist h HIS 239 Ca -0.03 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2ist h HIS 239 Cb 1.11 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 2ist h HIS 239 CO 0.11 0.44 -0.10 0.52 0.86 0.00 0.00 177.93 179.76 2ist h MET 240 N 0.81 0.53 -0.81 2.45 2.07 -0.97 -2.80 114.93 116.21 2ist h MET 240 Ca 0.27 -0.22 0.04 0.00 -2.07 0.00 0.00 59.70 57.72 2ist h MET 240 Cb 0.03 -0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 29.68 2ist h MET 240 CO -0.11 0.77 0.50 0.00 1.07 0.00 0.00 176.91 179.14 2ist h ALA 241 N 0.75 1.08 -0.92 6.32 0.00 -1.07 -1.01 119.26 124.41 2ist h ALA 241 Ca 0.06 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2ist h ALA 241 Cb 0.59 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2ist h ALA 241 CO 0.03 0.28 0.55 1.25 0.00 0.00 0.00 179.25 181.37 2ist h HIS 242 N 0.96 1.00 -0.32 0.00 6.17 -0.37 -1.11 115.15 121.47 2ist h HIS 242 Ca 0.34 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.45 2ist h HIS 242 Cb 0.08 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 29.70 2ist h HIS 242 CO -0.03 0.39 0.00 0.44 0.71 0.00 0.00 177.93 179.44 2ist n ILE 243 N -4.69 0.42 -1.95 6.26 -5.35 -1.08 -4.91 119.36 108.06 2ist n ILE 243 Ca 0.17 -0.44 -0.05 0.00 -0.27 0.00 0.00 62.75 62.16 2ist n ILE 243 Cb 0.33 0.24 -0.00 0.00 -1.74 0.00 0.00 39.64 38.46 2ist n ILE 243 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2ist n THR 244 N 0.46 -0.19 -3.14 7.28 -2.24 -0.42 -4.99 114.28 111.04 2ist n THR 244 Ca 0.12 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.66 2ist n THR 244 Cb 0.29 -1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 2ist n THR 244 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ist n HIS 245 N -3.85 2.11 -1.49 4.78 8.25 -0.40 -4.89 115.22 119.73 2ist n HIS 245 Ca -0.05 -3.91 -0.34 0.00 -0.26 0.00 0.00 57.72 53.16 2ist n HIS 245 Cb 0.49 -0.46 0.08 0.00 1.12 0.00 0.00 29.99 31.22 2ist n HIS 245 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2ist s PRO 246 N -2.63 2.25 0.30 -0.41 0.04 -1.24 -4.16 135.00 129.15 2ist s PRO 246 Ca 0.43 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 2ist s PRO 246 Cb 0.26 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.85 2ist s PRO 246 CO -0.09 -1.73 1.25 -0.51 0.04 0.00 0.00 177.00 175.96 2ist s LEU 247 N -5.12 4.46 0.20 -3.56 1.43 -1.26 -0.86 118.68 113.97 2ist s LEU 247 Ca 0.73 2.54 -0.32 0.00 -1.03 0.00 0.00 54.13 56.05 2ist s LEU 247 Cb -0.27 -3.64 -0.15 0.00 0.03 0.00 0.00 46.19 42.16 2ist s LEU 247 CO 0.45 -0.43 1.29 0.52 0.23 0.00 0.00 176.35 178.40 2ist n VAL 248 N 1.15 0.88 -0.93 -1.59 0.31 -0.54 -2.34 118.33 115.28 2ist n VAL 248 Ca 0.01 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2ist n VAL 248 Cb 0.43 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 2ist n VAL 248 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ist n GLY 249 N 2.13 0.80 3.66 2.92 0.00 -1.26 -0.37 105.19 113.07 2ist n GLY 249 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2ist n GLY 249 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ist s ASP 250 N -2.75 6.75 0.00 1.61 -1.08 -0.99 -2.69 116.67 117.52 2ist s ASP 250 Ca 0.00 2.09 0.29 0.00 -0.52 0.00 0.00 52.55 54.40 2ist s ASP 250 Cb 0.00 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 40.14 2ist s ASP 250 CO 0.00 -0.87 1.89 -0.81 0.52 0.00 0.00 175.17 175.89 2ist n PRO 251 N 6.91 0.20 -0.08 4.34 -0.04 -1.26 -2.54 135.00 142.53 2ist n PRO 251 Ca 0.16 -0.03 -0.16 0.00 -0.04 0.00 0.00 63.50 63.43 2ist n PRO 251 Cb 0.43 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 2ist n PRO 251 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ist n VAL 252 N -1.37 0.92 0.16 0.52 0.31 -1.26 -4.76 118.33 112.85 2ist n VAL 252 Ca 0.10 -0.26 0.10 0.00 -0.01 0.00 0.00 64.34 64.26 2ist n VAL 252 Cb 0.31 -1.56 -0.14 0.00 -0.91 0.00 0.00 33.84 31.54 2ist n VAL 252 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2ist n TYR 253 N -3.55 0.00 -2.53 3.52 4.01 -1.26 -4.97 117.16 112.39 2ist n TYR 253 Ca -0.32 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.16 2ist n TYR 253 Cb 0.75 -0.37 0.02 0.00 -0.31 0.00 0.00 39.34 39.44 2ist n TYR 253 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2ist s GLY 254 N -3.99 1.59 0.00 2.72 0.00 -1.05 -4.89 107.32 101.70 2ist s GLY 254 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.93 2ist s GLY 254 CO 0.81 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.02 2ist n GLY 255 N -2.46 4.34 3.75 0.20 0.00 -1.26 -4.88 105.19 104.88 2ist n GLY 255 Ca 0.04 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 2ist n GLY 255 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ist n ARG 256 N -0.01 2.67 -1.67 1.61 0.63 -1.26 -4.94 116.66 113.69 2ist n ARG 256 Ca 0.00 0.94 -0.44 0.00 -0.92 0.00 0.00 57.85 57.43 2ist n ARG 256 Cb 0.00 -2.70 -0.02 0.00 0.45 0.00 0.00 32.46 30.20 2ist n ARG 256 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2ist n PRO 257 N 1.43 1.95 -3.98 -0.14 -0.02 -1.26 -4.98 135.00 128.00 2ist n PRO 257 Ca 0.06 0.69 -0.31 0.00 -2.02 0.00 0.00 63.50 61.92 2ist n PRO 257 Cb 0.37 -2.27 -0.15 0.00 -0.02 0.00 0.00 33.50 31.44 2ist n PRO 257 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2ist s ARG 258 N -1.22 1.37 0.55 -0.52 3.52 -1.26 -5.10 118.95 116.29 2ist s ARG 258 Ca 0.61 -1.77 -0.18 0.00 -0.13 0.00 0.00 55.73 54.26 2ist s ARG 258 Cb -0.63 -3.03 -0.06 0.00 -1.56 0.00 0.00 34.95 29.68 2ist s ARG 258 CO 0.57 -0.95 1.06 -2.14 -0.81 0.00 0.00 175.30 173.02 2ist s PRO 259 N 0.99 3.50 0.82 5.12 0.02 -1.26 -4.99 135.00 139.20 2ist s PRO 259 Ca 0.11 1.31 -0.12 0.00 0.02 0.00 0.00 61.00 62.32 2ist s PRO 259 Cb -0.19 -2.05 0.08 0.00 0.02 0.00 0.00 34.50 32.36 2ist s PRO 259 CO -0.10 -0.67 1.10 -1.25 -0.33 0.00 0.00 177.00 175.74 2ist s PRO 260 N -3.67 1.92 0.18 5.54 0.04 -1.26 -4.96 135.00 132.79 2ist s PRO 260 Ca 0.66 0.62 -0.32 0.00 0.04 0.00 0.00 61.00 62.00 2ist s PRO 260 Cb -0.17 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 2ist s PRO 260 CO 0.29 -1.73 1.75 0.21 0.04 0.00 0.00 177.00 177.56 2ist s LYS 261 N -5.15 4.13 -0.01 4.56 2.20 -1.26 -2.53 119.74 121.68 2ist s LYS 261 Ca 0.61 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.82 2ist s LYS 261 Cb -0.15 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 2ist s LYS 261 CO 0.54 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 2ist n GLY 262 N 4.04 0.44 3.69 5.54 0.00 -1.26 -5.01 105.19 112.63 2ist n GLY 262 Ca 0.16 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 2ist n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ist n ALA 263 N 1.00 1.33 -0.62 4.61 0.00 -1.05 -4.99 120.51 120.79 2ist n ALA 263 Ca -0.00 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 2ist n ALA 263 Cb 0.00 -2.29 0.19 0.00 0.00 0.00 0.00 19.45 17.36 2ist n ALA 263 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ist n SER 264 N 1.76 -1.07 -0.30 0.00 3.41 -1.26 -4.79 113.62 111.37 2ist n SER 264 Ca 0.09 0.14 -0.04 0.00 -0.26 0.00 0.00 58.87 58.80 2ist n SER 264 Cb 0.33 -1.30 0.07 0.00 -0.26 0.00 0.00 64.21 63.06 2ist n SER 264 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ist h GLU 265 N -2.15 1.10 -0.77 4.33 5.08 -2.00 -1.89 114.58 118.28 2ist h GLU 265 Ca -0.51 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 57.72 2ist h GLU 265 Cb 1.30 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 2ist h GLU 265 CO 0.42 0.76 0.30 0.00 -1.00 0.00 0.00 179.01 179.49 2ist h ALA 266 N 1.28 1.06 0.07 3.43 0.00 -1.99 -0.76 119.26 122.36 2ist h ALA 266 Ca 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ist h ALA 266 Cb -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.42 2ist h ALA 266 CO -0.06 0.66 -0.04 0.35 0.00 0.00 0.00 179.25 180.16 2ist h PHE 267 N 1.13 -0.09 -0.71 0.00 3.04 -1.88 -0.67 116.94 117.75 2ist h PHE 267 Ca 0.26 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.21 2ist h PHE 267 Cb 0.23 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 2ist h PHE 267 CO 0.02 0.12 0.45 0.82 -2.02 0.00 0.00 178.31 177.70 2ist h ILE 268 N -0.30 1.19 -0.02 1.41 2.04 -1.19 -0.91 117.51 119.74 2ist h ILE 268 Ca -0.01 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2ist h ILE 268 Cb 0.26 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2ist h ILE 268 CO 0.02 0.19 0.01 -1.28 0.00 0.00 0.00 178.15 177.09 2ist h SER 269 N 0.96 0.03 -0.57 1.72 0.87 -1.08 -0.81 113.55 114.68 2ist h SER 269 Ca 0.26 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2ist h SER 269 Cb -0.07 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 2ist h SER 269 CO -0.05 0.13 0.28 0.74 -0.53 0.00 0.00 176.83 177.40 2ist h THR 270 N -0.08 1.20 -0.47 2.23 2.02 -0.94 -1.95 112.91 114.91 2ist h THR 270 Ca 0.01 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 2ist h THR 270 Cb 0.11 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2ist h THR 270 CO -0.00 0.22 0.05 0.25 0.37 0.00 0.00 175.52 176.41 2ist h LEU 271 N 0.76 0.77 -0.82 2.58 5.85 -1.08 -2.41 115.31 120.96 2ist h LEU 271 Ca 0.20 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 2ist h LEU 271 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2ist h LEU 271 CO -0.03 0.86 -0.32 0.03 -0.34 0.00 0.00 178.44 178.64 2ist h ARG 272 N 0.66 0.51 0.00 1.25 3.08 -1.02 -3.03 114.38 115.83 2ist h ARG 272 Ca 0.14 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 2ist h ARG 272 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2ist h ARG 272 CO 0.02 0.77 -0.34 0.87 -1.07 0.00 0.00 179.97 180.22 2ist h LYS 273 N 0.44 0.00 -5.93 0.04 1.57 -1.30 -3.44 116.57 107.94 2ist h LYS 273 Ca 0.05 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.29 2ist h LYS 273 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2ist h LYS 273 CO 0.06 0.34 1.48 0.12 -0.57 0.00 0.00 179.45 180.87 2ist s PHE 274 N -3.45 1.32 -0.21 -1.35 5.36 -0.92 -4.85 117.98 113.88 2ist s PHE 274 Ca 0.01 0.89 0.13 0.00 -0.96 0.00 0.00 56.93 57.00 2ist s PHE 274 Cb 0.10 -3.88 0.43 0.00 -0.34 0.00 0.00 43.02 39.33 2ist s PHE 274 CO 0.68 -3.20 1.31 -0.40 -1.46 0.00 0.00 175.22 172.15 2ist n ASP 275 N 12.79 2.38 -3.92 6.13 5.75 -1.26 -4.29 116.55 134.12 2ist n ASP 275 Ca 0.29 -3.57 -0.09 0.00 -0.01 0.00 0.00 54.79 51.41 2ist n ASP 275 Cb 0.49 -0.54 -0.08 0.00 -1.03 0.00 0.00 41.12 39.95 2ist n ASP 275 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ist s ARG 276 N -3.11 0.71 0.12 0.11 1.70 -1.10 -4.80 118.95 112.58 2ist s ARG 276 Ca 0.39 -0.91 -0.35 0.00 -0.47 0.00 0.00 55.73 54.38 2ist s ARG 276 Cb 0.36 0.28 -0.16 0.00 -0.57 0.00 0.00 34.95 34.86 2ist s ARG 276 CO -0.01 -0.20 1.39 0.00 -1.08 0.00 0.00 175.30 175.40 2ist n GLN 277 N 0.28 1.42 -2.35 3.89 0.00 -1.16 -4.02 117.38 115.44 2ist n GLN 277 Ca -0.16 0.51 -0.36 0.00 0.00 0.00 0.00 57.00 56.99 2ist n GLN 277 Cb 0.61 -2.17 -0.03 0.00 0.00 0.00 0.00 30.24 28.64 2ist n GLN 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ist s ALA 278 N 0.51 2.55 -0.15 2.61 0.00 0.51 -4.84 121.76 122.95 2ist s ALA 278 Ca 0.82 -2.43 -0.07 0.00 0.00 0.00 0.00 51.96 50.28 2ist s ALA 278 Cb -0.87 -4.63 0.06 0.00 0.00 0.00 0.00 23.12 17.68 2ist s ALA 278 CO 0.45 -4.15 0.34 -1.17 0.00 0.00 0.00 175.76 171.23 2ist s LEU 279 N 7.22 -0.10 -0.07 0.00 2.96 -1.26 -2.00 118.68 125.45 2ist s LEU 279 Ca 0.59 0.76 -0.03 0.00 -0.22 0.00 0.00 54.13 55.23 2ist s LEU 279 Cb 0.01 1.06 0.04 0.00 0.50 0.00 0.00 46.19 47.80 2ist s LEU 279 CO 0.06 -0.20 0.15 -2.28 -1.32 0.00 0.00 176.35 172.76 2ist s HIS 280 N 1.77 -0.17 -0.58 5.38 5.65 -0.27 -2.97 115.29 124.11 2ist s HIS 280 Ca -0.06 0.48 -0.26 0.00 0.25 0.00 0.00 55.06 55.47 2ist s HIS 280 Cb -0.10 -0.08 0.04 0.00 -1.18 0.00 0.00 32.58 31.26 2ist s HIS 280 CO -0.11 -0.16 1.08 0.00 -0.65 0.00 0.00 174.74 174.90 2ist s ALA 281 N 1.13 3.05 -0.15 1.58 0.00 0.12 -0.74 121.76 126.76 2ist s ALA 281 Ca -0.09 -1.10 0.18 0.00 0.00 0.00 0.00 51.96 50.96 2ist s ALA 281 Cb -0.11 -3.91 -0.25 0.00 0.00 0.00 0.00 23.12 18.84 2ist s ALA 281 CO -0.06 -2.60 0.27 -2.37 0.00 0.00 0.00 175.76 171.01 2ist n THR 282 N 6.40 1.16 -3.78 0.00 5.66 0.15 -1.58 114.28 122.29 2ist n THR 282 Ca 0.05 -0.78 -0.13 0.00 -3.05 0.00 0.00 64.05 60.14 2ist n THR 282 Cb 0.48 -0.47 -0.12 0.00 -1.55 0.00 0.00 70.33 68.68 2ist n THR 282 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2ist s MET 283 N -2.72 0.28 -0.04 1.09 -2.45 -1.13 -1.40 119.30 112.94 2ist s MET 283 Ca -0.08 0.36 0.03 0.00 -1.25 0.00 0.00 55.69 54.74 2ist s MET 283 Cb 0.08 0.12 0.00 0.00 1.25 0.00 0.00 34.83 36.28 2ist s MET 283 CO 0.84 -0.04 -0.13 -1.17 1.05 0.00 0.00 175.02 175.57 2ist s LEU 284 N 0.22 1.80 -0.03 4.11 2.96 -0.58 -1.36 118.68 125.81 2ist s LEU 284 Ca -0.01 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2ist s LEU 284 Cb -0.02 -0.76 0.03 0.00 0.50 0.00 0.00 46.19 45.94 2ist s LEU 284 CO -0.00 0.09 0.01 -0.60 -1.32 0.00 0.00 176.35 174.52 2ist s ARG 285 N 0.24 0.26 0.14 1.98 3.52 -0.58 -1.05 118.95 123.46 2ist s ARG 285 Ca -0.06 0.11 -0.14 0.00 -0.13 0.00 0.00 55.73 55.52 2ist s ARG 285 Cb -0.11 -0.49 0.02 0.00 -1.56 0.00 0.00 34.95 32.81 2ist s ARG 285 CO 0.02 -0.16 0.37 -0.48 -0.81 0.00 0.00 175.30 174.23 2ist s LEU 286 N 1.16 0.62 -0.32 -0.88 0.05 -0.49 -0.59 118.68 118.22 2ist s LEU 286 Ca -0.08 -0.52 -0.27 0.00 0.05 0.00 0.00 54.13 53.32 2ist s LEU 286 Cb -0.13 1.64 0.01 0.00 -2.05 0.00 0.00 46.19 45.66 2ist s LEU 286 CO -0.02 -0.88 0.96 -0.31 -0.55 0.00 0.00 176.35 175.55 2ist s TYR 287 N -3.86 3.15 0.11 3.48 2.02 -1.26 -0.25 117.35 120.74 2ist s TYR 287 Ca 0.07 1.00 -0.36 0.00 -0.37 0.00 0.00 57.07 57.41 2ist s TYR 287 Cb 0.02 -3.54 -0.16 0.00 -0.40 0.00 0.00 41.96 37.88 2ist s TYR 287 CO -0.08 -0.72 1.32 1.58 -1.57 0.00 0.00 175.55 176.09 2ist n HIS 288 N 6.65 1.51 0.31 2.71 -0.00 -0.35 -4.78 115.22 121.27 2ist n HIS 288 Ca 0.09 0.63 0.14 0.00 -0.00 0.00 0.00 57.72 58.57 2ist n HIS 288 Cb 0.48 -2.33 0.62 0.00 -0.00 0.00 0.00 29.99 28.76 2ist n HIS 288 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2ist h PRO 289 N 4.41 0.00 0.00 1.57 0.13 -1.92 0.28 132.00 136.47 2ist h PRO 289 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 2ist h PRO 289 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 2ist h PRO 289 CO 0.77 0.00 -1.11 -0.89 -0.23 0.00 0.00 178.00 176.54 2ist n ILE 290 N -2.47 1.26 1.26 -3.56 2.08 -1.26 -4.70 119.36 111.97 2ist n ILE 290 Ca 0.00 0.07 0.14 0.00 0.56 0.00 0.00 62.75 63.53 2ist n ILE 290 Cb 0.17 -1.96 0.67 0.00 -0.75 0.00 0.00 39.64 37.77 2ist n ILE 290 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2ist n SER 291 N -4.00 0.08 -0.68 4.38 3.41 -1.23 -4.93 113.62 110.65 2ist n SER 291 Ca -0.18 0.01 -0.04 0.00 -0.26 0.00 0.00 58.87 58.40 2ist n SER 291 Cb 0.48 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 2ist n SER 291 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ist n GLY 292 N 1.37 0.40 3.73 5.00 0.00 0.97 -4.91 105.19 111.74 2ist n GLY 292 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2ist n GLY 292 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ist s ILE 293 N -1.07 4.28 0.12 -0.61 1.01 -1.26 -4.47 121.20 119.20 2ist s ILE 293 Ca 0.00 1.83 -0.31 0.00 0.00 0.00 0.00 60.65 62.17 2ist s ILE 293 Cb 0.00 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 38.22 2ist s ILE 293 CO 0.00 0.25 1.39 -0.70 0.00 0.00 0.00 174.94 175.89 2ist s GLU 294 N 0.16 4.32 0.08 2.79 2.12 -1.26 -1.22 118.70 125.69 2ist s GLU 294 Ca 0.50 2.09 0.04 0.00 0.36 0.00 0.00 54.97 57.96 2ist s GLU 294 Cb -0.26 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 2ist s GLU 294 CO 0.31 -0.43 -0.11 -1.64 -0.54 0.00 0.00 175.26 172.85 2ist s MET 295 N 1.01 0.79 -0.04 4.30 -1.94 0.66 -4.95 119.30 119.12 2ist s MET 295 Ca 0.64 -1.01 -0.02 0.00 -1.71 0.00 0.00 55.69 53.59 2ist s MET 295 Cb -0.37 -0.62 0.02 0.00 2.01 0.00 0.00 34.83 35.87 2ist s MET 295 CO 0.31 0.12 0.09 -2.00 -0.01 0.00 0.00 175.02 173.53 2ist s GLU 296 N -2.15 0.07 0.14 2.03 2.12 -1.26 -1.40 118.70 118.25 2ist s GLU 296 Ca -0.00 0.22 0.07 0.00 0.36 0.00 0.00 54.97 55.62 2ist s GLU 296 Cb -0.07 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 2ist s GLU 296 CO 0.01 -0.10 -0.16 -1.58 -0.54 0.00 0.00 175.26 172.90 2ist s TRP 297 N 0.64 1.58 -0.02 5.30 0.51 -0.21 -4.99 118.94 121.75 2ist s TRP 297 Ca -0.05 -0.52 0.04 0.00 -2.12 0.00 0.00 56.10 53.45 2ist s TRP 297 Cb -0.07 -0.81 -0.01 0.00 -0.81 0.00 0.00 33.47 31.78 2ist s TRP 297 CO -0.03 0.22 -0.13 -1.01 -0.51 0.00 0.00 176.95 175.49 2ist s HIS 298 N -2.06 1.27 -0.20 -1.98 3.76 -1.26 -1.52 115.29 113.30 2ist s HIS 298 Ca 0.11 -0.29 -0.05 0.00 -0.15 0.00 0.00 55.06 54.68 2ist s HIS 298 Cb -0.05 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.77 2ist s HIS 298 CO 0.04 -0.07 -0.01 0.00 -0.85 0.00 0.00 174.74 173.85 2ist s ALA 299 N -0.11 3.01 0.56 -1.40 0.00 -0.49 -5.00 121.76 118.33 2ist s ALA 299 Ca 0.01 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 2ist s ALA 299 Cb -0.08 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 2ist s ALA 299 CO 0.00 -0.13 1.11 -2.30 0.00 0.00 0.00 175.76 174.44 2ist n PRO 300 N 4.21 1.22 -1.71 0.00 -0.02 -1.26 -4.69 135.00 132.76 2ist n PRO 300 Ca -0.17 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 2ist n PRO 300 Cb 0.52 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2ist n PRO 300 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2ist n ILE 301 N -1.34 0.14 -1.53 4.25 5.41 -1.26 -4.94 119.36 120.08 2ist n ILE 301 Ca 0.12 -0.03 -0.33 0.00 1.00 0.00 0.00 62.75 63.51 2ist n ILE 301 Cb 0.45 -2.05 0.08 0.00 -0.71 0.00 0.00 39.64 37.41 2ist n ILE 301 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2ist s PRO 302 N 1.77 2.38 0.28 0.38 0.04 -1.26 -4.73 135.00 133.87 2ist s PRO 302 Ca 0.78 1.55 0.02 0.00 0.04 0.00 0.00 61.00 63.39 2ist s PRO 302 Cb -0.49 -1.88 0.61 0.00 0.04 0.00 0.00 34.50 32.77 2ist s PRO 302 CO 0.34 -1.60 1.79 0.37 0.04 0.00 0.00 177.00 177.93 2ist h GLN 303 N -0.27 0.74 -0.55 4.56 5.75 -1.99 -1.62 115.11 121.74 2ist h GLN 303 Ca -0.47 -0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.09 2ist h GLN 303 Cb 1.27 -0.17 -0.08 0.00 1.07 0.00 0.00 27.48 29.57 2ist h GLN 303 CO 0.51 0.49 0.11 0.38 -2.65 0.00 0.00 178.83 177.68 2ist h ASP 304 N 0.77 0.00 0.09 -0.69 3.04 -2.00 -0.94 116.42 116.68 2ist h ASP 304 Ca 0.51 0.10 -0.21 0.00 -3.24 0.00 0.00 57.03 54.19 2ist h ASP 304 Cb 0.70 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 39.13 2ist h ASP 304 CO -0.35 0.02 -0.81 0.24 -2.04 0.00 0.00 179.24 176.31 2ist h MET 305 N 0.25 0.59 0.02 4.15 2.86 -1.76 -2.63 114.93 118.40 2ist h MET 305 Ca 0.28 -0.51 0.03 0.00 -2.06 0.00 0.00 59.70 57.44 2ist h MET 305 Cb 0.40 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 2ist h MET 305 CO -0.37 1.13 -0.31 0.28 1.06 0.00 0.00 176.91 178.71 2ist h VAL 306 N 0.39 0.33 -0.58 -2.22 2.07 -1.02 0.27 116.25 115.49 2ist h VAL 306 Ca -0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.53 2ist h VAL 306 Cb 1.42 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 2ist h VAL 306 CO 0.15 0.00 0.26 -0.33 0.02 0.00 0.00 177.57 177.68 2ist h GLU 307 N -0.47 0.47 -0.09 1.57 5.08 -1.21 -0.70 114.58 119.24 2ist h GLU 307 Ca 0.06 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2ist h GLU 307 Cb 0.54 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2ist h GLU 307 CO -0.25 0.31 -0.05 1.25 -1.00 0.00 0.00 179.01 179.28 2ist h LEU 308 N 0.49 -0.16 -0.46 1.33 5.85 -1.07 -1.71 115.31 119.58 2ist h LEU 308 Ca 0.28 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 2ist h LEU 308 Cb 0.26 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2ist h LEU 308 CO -0.23 -0.07 0.12 0.40 -0.34 0.00 0.00 178.44 178.32 2ist h ILE 309 N -0.05 1.23 -0.64 4.05 2.04 -0.19 -2.34 117.51 121.61 2ist h ILE 309 Ca 0.05 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 2ist h ILE 309 Cb 0.12 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2ist h ILE 309 CO -0.12 0.29 0.14 -0.33 0.00 0.00 0.00 178.15 178.12 2ist h GLU 310 N 0.61 1.03 -0.48 2.37 5.08 -1.05 0.13 114.58 122.27 2ist h GLU 310 Ca 0.15 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2ist h GLU 310 Cb 0.31 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2ist h GLU 310 CO 0.00 0.92 0.07 -0.24 -1.00 0.00 0.00 179.01 178.76 2ist h VAL 311 N 0.97 1.25 -0.50 3.13 3.04 -1.26 -0.05 116.25 122.84 2ist h VAL 311 Ca 0.20 -0.94 -0.08 0.00 -1.01 0.00 0.00 66.70 64.87 2ist h VAL 311 Cb 0.37 0.93 -0.02 0.00 -2.01 0.00 0.00 31.29 30.57 2ist h VAL 311 CO 0.00 0.33 -0.03 0.24 -1.01 0.00 0.00 177.57 177.11 2ist h MET 312 N 0.67 0.86 -0.16 4.17 2.86 -1.18 -1.62 114.93 120.53 2ist h MET 312 Ca 0.14 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2ist h MET 312 Cb 0.41 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2ist h MET 312 CO 0.01 0.88 -0.03 -0.09 1.06 0.00 0.00 176.91 178.74 2ist h ARG 313 N 0.79 0.31 -0.64 1.72 2.43 -0.53 -1.93 114.38 116.52 2ist h ARG 313 Ca 0.15 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2ist h ARG 313 Cb 0.52 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2ist h ARG 313 CO 0.03 0.57 0.36 0.00 -1.51 0.00 0.00 179.97 179.42 2ist h ALA 314 N 0.72 0.83 -0.32 2.80 0.00 -0.99 -1.51 119.26 120.79 2ist h ALA 314 Ca 0.04 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2ist h ALA 314 Cb 0.46 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2ist h ALA 314 CO 0.01 0.33 0.03 0.22 0.00 0.00 0.00 179.25 179.85 2ist h ASP 315 N 0.88 -0.06 -0.26 0.00 1.82 -1.25 -0.49 116.42 117.06 2ist h ASP 315 Ca 0.23 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.91 2ist h ASP 315 Cb 0.03 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 2ist h ASP 315 CO -0.04 0.01 0.10 0.15 -1.61 0.00 0.00 179.24 177.85 2ist h PHE 316 N 0.13 0.40 0.15 0.28 3.57 -1.03 -2.01 116.94 118.44 2ist h PHE 316 Ca 0.15 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2ist h PHE 316 Cb 0.18 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2ist h PHE 316 CO -0.20 0.42 -0.07 0.93 -2.23 0.00 0.00 178.31 177.16 2ist h GLU 317 N 0.27 -0.19 -0.72 1.11 5.08 -1.20 -2.78 114.58 116.15 2ist h GLU 317 Ca 0.09 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.59 2ist h GLU 317 Cb 0.19 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.39 2ist h GLU 317 CO -0.01 -0.11 0.28 0.93 -1.00 0.00 0.00 179.01 179.10 2ist h GLU 318 N -0.21 0.42 0.00 2.33 5.08 -1.05 -2.28 114.58 118.87 2ist h GLU 318 Ca -0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2ist h GLU 318 Cb 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2ist h GLU 318 CO 0.03 0.28 -0.20 1.25 -1.00 0.00 0.00 179.01 179.37 2ist h HIS 319 N 0.43 0.00 0.00 4.33 2.76 -1.17 -3.01 115.15 118.49 2ist h HIS 319 Ca 0.39 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2ist h HIS 319 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2ist h HIS 319 CO -0.17 0.20 0.00 1.63 -1.30 0.00 0.00 177.93 178.29 2ist n LYS 320 N -3.64 0.65 -3.74 5.26 4.76 -0.86 -4.57 118.16 116.03 2ist n LYS 320 Ca -0.01 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.32 2ist n LYS 320 Cb 0.33 -1.31 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 2ist n LYS 320 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ist s ASP 321 N -0.27 -0.10 0.00 4.39 1.11 -1.14 -5.03 116.67 115.64 2ist s ASP 321 Ca 0.00 -0.35 0.05 0.00 0.18 0.00 0.00 52.55 52.43 2ist s ASP 321 Cb 0.00 0.39 0.31 0.00 1.07 0.00 0.00 42.92 44.69 2ist s ASP 321 CO 0.00 -0.73 0.96 -0.62 1.18 0.00 0.00 175.17 175.96 2ist n GLU 322 N 0.14 0.73 -1.77 8.23 4.71 -1.26 -4.86 120.64 126.56 2ist n GLU 322 Ca -0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.56 2ist n GLU 322 Cb 0.62 -1.11 -0.03 0.00 -1.01 0.00 0.00 31.44 29.91 2ist n GLU 322 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2ist s VAL 323 N -2.00 3.20 -0.23 2.62 0.11 -1.26 -4.97 120.40 117.87 2ist s VAL 323 Ca 0.08 0.22 -0.04 0.00 -2.93 0.00 0.00 61.98 59.31 2ist s VAL 323 Cb 0.04 -3.20 0.09 0.00 -1.53 0.00 0.00 36.38 31.77 2ist s VAL 323 CO 0.06 -0.09 0.17 -1.81 -3.33 0.00 0.00 175.10 170.10 2ist s ASP 324 N 5.95 2.24 0.00 3.54 -0.00 -1.26 -4.89 116.67 122.25 2ist s ASP 324 Ca 0.89 -0.68 0.05 0.00 -0.00 0.00 0.00 52.55 52.81 2ist s ASP 324 Cb -0.34 0.04 0.04 0.00 -0.00 0.00 0.00 42.92 42.67 2ist s ASP 324 CO 0.36 -0.37 0.67 0.79 -0.00 0.00 0.00 175.17 176.61