#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2m n PHE 5 N 0.00 2.86 0.29 -0.67 7.35 -1.26 -1.91 117.46 124.11 3i2m n PHE 5 Ca 0.00 -2.37 0.16 0.00 -0.76 0.00 0.00 57.45 54.47 3i2m n PHE 5 Cb 0.00 -2.21 0.87 0.00 0.35 0.00 0.00 39.48 38.49 3i2m n PHE 5 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 3i2m h HIS 6 N 7.17 0.00 -1.82 -5.13 2.07 -1.90 -3.45 115.15 112.09 3i2m h HIS 6 Ca 0.48 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 58.05 3i2m h HIS 6 Cb 0.69 0.00 -0.23 0.00 2.57 0.00 0.00 27.41 30.44 3i2m h HIS 6 CO 1.35 0.06 0.17 -0.47 -3.07 0.00 0.00 177.93 175.97 3i2m s TYR 7 N -4.26 -0.85 0.14 6.12 5.04 -1.08 -2.67 117.35 119.78 3i2m s TYR 7 Ca -0.04 1.74 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 3i2m s TYR 7 Cb 0.13 0.50 -0.04 0.00 0.35 0.00 0.00 41.96 42.90 3i2m s TYR 7 CO 0.54 -0.42 0.02 0.20 -1.34 0.00 0.00 175.55 174.55 3i2m s GLY 8 N 1.41 1.04 -0.03 8.97 0.00 -1.26 0.13 107.32 117.57 3i2m s GLY 8 Ca -0.09 -1.50 -0.13 0.00 0.00 0.00 0.00 44.72 43.01 3i2m s GLY 8 CO -0.16 -1.43 0.28 0.54 0.00 0.00 0.00 173.10 172.32 3i2m s VAL 9 N -3.86 0.05 -0.24 1.40 0.11 0.15 -2.30 120.40 115.72 3i2m s VAL 9 Ca 0.22 -0.43 -0.09 0.00 -2.93 0.00 0.00 61.98 58.76 3i2m s VAL 9 Cb 0.07 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 3i2m s VAL 9 CO 0.01 -0.23 0.12 -0.60 -3.33 0.00 0.00 175.10 171.07 3i2m s ARG 10 N -1.07 3.92 -0.12 1.54 3.52 0.19 -1.12 118.95 125.81 3i2m s ARG 10 Ca -0.11 -0.35 -0.26 0.00 -0.13 0.00 0.00 55.73 54.87 3i2m s ARG 10 Cb -0.05 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 3i2m s ARG 10 CO 0.03 0.00 0.87 0.08 -0.81 0.00 0.00 175.30 175.47 3i2m s VAL 11 N 1.16 4.88 -0.96 7.11 1.01 0.27 -1.13 120.40 132.75 3i2m s VAL 11 Ca 0.06 1.74 -0.24 0.00 0.00 0.00 0.00 61.98 63.54 3i2m s VAL 11 Cb -0.14 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.09 3i2m s VAL 11 CO 0.05 0.07 1.53 -0.62 0.00 0.00 0.00 175.10 176.12 3i2m s ASP 12 N 1.07 6.20 0.39 3.32 -1.08 -0.48 -4.38 116.67 121.70 3i2m s ASP 12 Ca 0.42 -1.16 0.15 0.00 -0.52 0.00 0.00 52.55 51.43 3i2m s ASP 12 Cb -0.18 -2.57 0.78 0.00 -1.46 0.00 0.00 42.92 39.50 3i2m s ASP 12 CO 0.16 -1.78 1.84 -0.37 0.52 0.00 0.00 175.17 175.54 3i2m h VAL 13 N 6.79 1.17 -0.72 1.11 -1.51 -1.90 -2.88 116.25 118.30 3i2m h VAL 13 Ca 0.12 -1.23 -0.03 0.00 -1.23 0.00 0.00 66.70 64.32 3i2m h VAL 13 Cb 1.02 1.68 -0.03 0.00 -2.13 0.00 0.00 31.29 31.83 3i2m h VAL 13 CO 1.37 0.34 0.34 0.74 -1.23 0.00 0.00 177.57 179.13 3i2m h THR 14 N 0.00 1.24 -0.11 7.19 2.02 -1.93 -0.60 112.91 120.72 3i2m h THR 14 Ca -0.00 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 3i2m h THR 14 Cb 0.65 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3i2m h THR 14 CO 0.05 0.28 0.04 0.25 0.37 0.00 0.00 175.52 176.51 3i2m h LEU 15 N 1.01 0.15 -1.71 2.58 5.85 -1.93 -2.65 115.31 118.61 3i2m h LEU 15 Ca 0.25 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3i2m h LEU 15 Cb 0.13 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3i2m h LEU 15 CO -0.03 0.27 0.24 -0.07 -0.34 0.00 0.00 178.44 178.52 3i2m h LEU 16 N 0.02 0.32 0.04 2.25 3.38 -1.28 -1.84 115.31 118.20 3i2m h LEU 16 Ca 0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i2m h LEU 16 Cb 0.17 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i2m h LEU 16 CO -0.00 0.22 -0.02 0.28 0.09 0.00 0.00 178.44 179.01 3i2m h SER 17 N 0.38 -0.04 -1.01 -0.43 0.02 -0.77 -0.99 113.55 110.71 3i2m h SER 17 Ca 0.15 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.33 3i2m h SER 17 Cb 0.13 0.01 -0.12 0.00 0.14 0.00 0.00 62.40 62.56 3i2m h SER 17 CO -0.03 -0.03 0.60 0.11 -1.14 0.00 0.00 176.83 176.34 3i2m h LYS 18 N -0.05 0.61 0.00 3.45 6.56 -1.10 0.65 116.57 126.69 3i2m h LYS 18 Ca -0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 3i2m h LYS 18 Cb 0.04 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.56 3i2m h LYS 18 CO 0.01 0.40 -0.02 -0.89 -2.06 0.00 0.00 179.45 176.89 3i2m n ILE 19 N -4.84 0.08 -0.23 1.86 5.41 -0.81 -4.64 119.36 116.19 3i2m n ILE 19 Ca 0.26 -0.04 -0.02 0.00 1.00 0.00 0.00 62.75 63.95 3i2m n ILE 19 Cb 0.70 -0.48 0.01 0.00 -0.71 0.00 0.00 39.64 39.16 3i2m n ILE 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i2m n ARG 20 N -1.60 -0.16 -0.32 0.38 1.74 0.22 -1.44 116.66 115.48 3i2m n ARG 20 Ca 0.07 0.90 0.16 0.00 -0.77 0.00 0.00 57.85 58.21 3i2m n ARG 20 Cb 0.35 -1.34 0.40 0.00 -1.02 0.00 0.00 32.46 30.85 3i2m n ARG 20 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3i2m h ARG 21 N 0.00 0.60 -0.01 5.56 9.65 -1.83 0.11 114.38 128.46 3i2m h ARG 21 Ca 0.18 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3i2m h ARG 21 Cb 0.33 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.78 3i2m h ARG 21 CO -0.58 0.40 0.00 0.28 2.80 0.00 0.00 179.97 182.87 3i2m h VAL 22 N 0.62 1.17 -0.87 0.20 2.07 -1.62 -1.18 116.25 116.64 3i2m h VAL 22 Ca 0.54 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3i2m h VAL 22 Cb 1.04 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 3i2m h VAL 22 CO -0.30 0.13 0.43 -1.13 0.02 0.00 0.00 177.57 176.72 3i2m h ASN 23 N -0.18 1.12 -0.03 0.57 -1.24 -1.30 -2.20 115.58 112.31 3i2m h ASN 23 Ca 0.00 -0.12 -0.05 0.00 0.71 0.00 0.00 56.30 56.84 3i2m h ASN 23 Cb 0.21 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 3i2m h ASN 23 CO -0.00 0.93 -0.12 -0.08 -1.29 0.00 0.00 177.43 176.87 3i2m h GLU 24 N 1.23 0.31 0.07 6.67 4.57 -0.67 -1.42 114.58 125.34 3i2m h GLU 24 Ca 0.30 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3i2m h GLU 24 Cb 0.09 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3i2m h GLU 24 CO -0.04 0.44 -0.03 1.25 -1.18 0.00 0.00 179.01 179.45 3i2m h HIS 25 N 0.30 -0.08 -0.12 0.92 2.76 -0.57 -3.22 115.15 115.13 3i2m h HIS 25 Ca 0.06 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3i2m h HIS 25 Cb 0.39 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.38 3i2m h HIS 25 CO 0.01 0.17 0.00 0.44 -1.30 0.00 0.00 177.93 177.25 3i2m n ILE 26 N -5.02 0.15 -0.31 6.26 -5.35 -1.11 -4.65 119.36 109.34 3i2m n ILE 26 Ca -0.08 -0.32 0.15 0.00 -0.27 0.00 0.00 62.75 62.23 3i2m n ILE 26 Cb 0.16 0.39 0.32 0.00 -1.74 0.00 0.00 39.64 38.77 3i2m n ILE 26 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3i2m h LYS 27 N 2.22 0.15 0.00 6.28 2.10 -1.27 -0.21 116.57 125.84 3i2m h LYS 27 Ca 0.00 -0.01 -0.08 0.00 -2.00 0.00 0.00 60.65 58.56 3i2m h LYS 27 Cb 0.48 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 3i2m h LYS 27 CO 0.00 0.10 -0.39 0.66 -2.00 0.00 0.00 179.45 177.81 3i2m h SER 28 N 0.15 0.00 0.84 7.07 4.64 -1.86 -1.61 113.55 122.78 3i2m h SER 28 Ca 0.59 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.70 3i2m h SER 28 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3i2m h SER 28 CO -0.72 0.39 -0.95 0.00 -0.87 0.00 0.00 176.83 174.69 3i2m h ALA 29 N 1.61 0.44 -0.01 5.18 0.00 -1.41 -3.33 119.26 121.74 3i2m h ALA 29 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3i2m h ALA 29 Cb 0.93 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3i2m h ALA 29 CO 0.05 1.10 -0.41 0.25 0.00 0.00 0.00 179.25 180.24 3i2m n THR 30 N -3.48 0.00 -0.34 0.00 -2.24 -0.73 -4.33 114.28 103.15 3i2m n THR 30 Ca -0.02 -0.14 -0.02 0.00 -2.27 0.00 0.00 64.05 61.61 3i2m n THR 30 Cb 0.88 0.66 0.11 0.00 -2.10 0.00 0.00 70.33 69.88 3i2m n THR 30 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3i2m h LYS 31 N 1.30 1.16 -0.29 -0.78 3.64 -1.40 -0.57 116.57 119.63 3i2m h LYS 31 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3i2m h LYS 31 Cb 0.57 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3i2m h LYS 31 CO 0.00 0.76 0.00 2.41 -2.27 0.00 0.00 179.45 180.35 3i2m n THR 32 N -4.48 0.38 -0.82 1.00 -1.04 -1.26 -4.03 114.28 104.03 3i2m n THR 32 Ca 0.11 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 3i2m n THR 32 Cb 0.05 0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 3i2m n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i2m n GLY 33 N 1.03 -0.76 3.13 3.41 0.00 -0.22 -4.92 105.19 106.86 3i2m n GLY 33 Ca 0.12 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 3i2m n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2m s VAL 34 N -0.49 1.56 -0.06 1.61 1.01 0.16 -2.37 120.40 121.82 3i2m s VAL 34 Ca 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 3i2m s VAL 34 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3i2m s VAL 34 CO 0.00 0.45 0.18 -0.69 0.00 0.00 0.00 175.10 175.04 3i2m s VAL 35 N 0.34 5.45 0.01 2.92 1.01 0.18 -0.89 120.40 129.42 3i2m s VAL 35 Ca -0.12 0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3i2m s VAL 35 Cb -0.15 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 3i2m s VAL 35 CO 0.05 0.49 -0.05 -1.10 0.00 0.00 0.00 175.10 174.49 3i2m s GLN 36 N -1.43 0.37 -0.30 2.72 -0.21 0.84 -0.87 119.66 120.79 3i2m s GLN 36 Ca 0.21 -0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.33 3i2m s GLN 36 Cb -0.12 -0.30 0.08 0.00 1.00 0.00 0.00 33.01 33.67 3i2m s GLN 36 CO 0.11 0.08 -0.00 0.08 -2.12 0.00 0.00 175.29 173.43 3i2m s VAL 37 N -0.39 1.95 0.24 1.09 1.01 -0.42 -1.21 120.40 122.66 3i2m s VAL 37 Ca -0.01 -1.86 -0.01 0.00 0.00 0.00 0.00 61.98 60.10 3i2m s VAL 37 Cb -0.04 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3i2m s VAL 37 CO -0.00 -0.38 0.22 -1.38 0.00 0.00 0.00 175.10 173.56 3i2m s HIS 38 N 1.12 1.17 0.00 5.22 -0.00 -0.82 -1.46 115.29 120.53 3i2m s HIS 38 Ca 0.03 -1.35 0.00 0.00 -0.00 0.00 0.00 55.06 53.74 3i2m s HIS 38 Cb -0.19 -0.47 0.00 0.00 -0.00 0.00 0.00 32.58 31.92 3i2m s HIS 38 CO -0.09 -0.76 0.00 0.41 -0.00 0.00 0.00 174.74 174.30 3i2m n GLY 39 N -0.37 -1.42 3.76 -1.38 0.00 -0.82 0.50 105.19 105.45 3i2m n GLY 39 Ca 0.03 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 3i2m n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i2m s SER 40 N -4.00 6.80 0.48 1.61 1.04 -1.26 -1.36 113.70 117.01 3i2m s SER 40 Ca 0.00 2.59 0.30 0.00 0.48 0.00 0.00 55.95 59.32 3i2m s SER 40 Cb 0.00 -2.63 1.38 0.00 0.10 0.00 0.00 66.02 64.87 3i2m s SER 40 CO 0.00 -0.55 1.76 0.00 0.98 0.00 0.00 173.24 175.43 3i2m h ALA 41 N 4.23 2.78 -0.03 5.32 0.00 -1.77 -0.89 119.26 128.91 3i2m h ALA 41 Ca -0.47 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 3i2m h ALA 41 Cb 1.22 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.10 3i2m h ALA 41 CO 0.71 -1.19 -0.92 0.00 0.00 0.00 0.00 179.25 177.85 3i2m n THR 43 N -3.81 1.23 -1.00 0.00 -1.04 -0.41 -4.53 114.28 104.73 3i2m n THR 43 Ca -0.08 -4.63 -0.33 0.00 -2.04 0.00 0.00 64.05 56.97 3i2m n THR 43 Cb 0.82 -0.53 0.13 0.00 -1.82 0.00 0.00 70.33 68.93 3i2m n THR 43 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3i2m n PRO 44 N -0.01 0.00 -4.12 -2.82 -0.04 -0.79 -4.53 135.00 122.69 3i2m n PRO 44 Ca 0.25 0.07 -0.32 0.00 -0.04 0.00 0.00 63.50 63.46 3i2m n PRO 44 Cb 0.61 -2.24 -0.07 0.00 -0.04 0.00 0.00 33.50 31.76 3i2m n PRO 44 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i2m s THR 45 N -2.23 4.60 -0.24 0.52 2.01 0.18 -4.39 115.64 116.09 3i2m s THR 45 Ca 0.68 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 3i2m s THR 45 Cb -0.27 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 3i2m s THR 45 CO 0.56 0.31 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.58 3i2m s LEU 46 N -1.83 3.16 0.05 4.42 2.96 -0.53 -1.95 118.68 124.96 3i2m s LEU 46 Ca 0.24 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3i2m s LEU 46 Cb -0.12 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3i2m s LEU 46 CO 0.15 -0.05 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.53 3i2m s SER 47 N 1.50 1.81 -0.09 3.68 0.01 -0.35 0.57 113.70 120.82 3i2m s SER 47 Ca 0.05 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.84 3i2m s SER 47 Cb -0.15 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 65.98 3i2m s SER 47 CO -0.01 0.04 -0.18 -0.69 0.41 0.00 0.00 173.24 172.80 3i2m s VAL 48 N -0.92 1.63 0.09 3.43 1.01 -1.26 -0.11 120.40 124.27 3i2m s VAL 48 Ca 0.02 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.30 3i2m s VAL 48 Cb -0.08 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3i2m s VAL 48 CO 0.02 0.46 -0.17 -0.76 0.00 0.00 0.00 175.10 174.65 3i2m s LEU 49 N 0.53 2.31 -0.18 3.92 1.02 -0.07 -4.20 118.68 122.00 3i2m s LEU 49 Ca -0.16 -0.67 -0.29 0.00 0.02 0.00 0.00 54.13 53.02 3i2m s LEU 49 Cb -0.17 -0.68 0.12 0.00 0.02 0.00 0.00 46.19 45.48 3i2m s LEU 49 CO 0.06 -0.03 0.98 -0.94 0.02 0.00 0.00 176.35 176.44 3i2m s SER 50 N -1.92 -0.41 0.73 2.29 1.04 -0.77 0.35 113.70 115.01 3i2m s SER 50 Ca 0.03 0.54 -0.12 0.00 0.48 0.00 0.00 55.95 56.88 3i2m s SER 50 Cb -0.09 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.52 3i2m s SER 50 CO 0.03 -0.32 1.09 -0.94 0.98 0.00 0.00 173.24 174.08 3i2m s SER 51 N -0.82 4.82 -0.12 7.02 1.04 -1.26 -0.63 113.70 123.75 3i2m s SER 51 Ca -0.01 1.82 -0.04 0.00 0.48 0.00 0.00 55.95 58.20 3i2m s SER 51 Cb -0.01 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.63 3i2m s SER 51 CO 0.01 -1.83 0.07 -0.69 0.98 0.00 0.00 173.24 171.78 3i2m s VAL 52 N -2.80 -0.04 0.00 5.02 1.01 0.14 -4.78 120.40 118.96 3i2m s VAL 52 Ca 0.62 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3i2m s VAL 52 Cb -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.75 3i2m s VAL 52 CO 0.52 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3i2m n GLY 53 N 5.27 -0.96 0.24 4.51 0.00 -1.26 -2.79 105.19 110.20 3i2m n GLY 53 Ca -0.06 -1.12 0.15 0.00 0.00 0.00 0.00 46.02 44.99 3i2m n GLY 53 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i2m h THR 54 N 0.00 0.00 -0.89 2.61 1.35 -1.96 -3.39 112.91 110.63 3i2m h THR 54 Ca 0.00 -0.69 -0.35 0.00 -0.55 0.00 0.00 66.41 64.83 3i2m h THR 54 Cb 0.00 1.67 -0.27 0.00 -1.73 0.00 0.00 68.15 67.83 3i2m h THR 54 CO 0.00 0.00 -0.79 0.00 -0.25 0.00 0.00 175.52 174.48 3i2m n ALA 55 N -2.07 0.68 -3.35 6.62 0.00 -1.26 -5.08 120.51 116.06 3i2m n ALA 55 Ca 0.02 -2.35 -0.14 0.00 0.00 0.00 0.00 53.44 50.98 3i2m n ALA 55 Cb 0.39 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 3i2m n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i2m s GLY 56 N -1.84 -0.33 -0.17 0.00 0.00 -1.12 -1.19 107.32 102.68 3i2m s GLY 56 Ca 0.30 1.08 0.01 0.00 0.00 0.00 0.00 44.72 46.10 3i2m s GLY 56 CO -0.06 0.87 -0.17 0.14 0.00 0.00 0.00 173.10 173.88 3i2m s VAL 57 N -0.29 1.84 0.08 1.40 1.01 -0.43 0.28 120.40 124.29 3i2m s VAL 57 Ca -0.04 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 3i2m s VAL 57 Cb -0.03 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 3i2m s VAL 57 CO 0.03 0.50 0.44 -0.22 0.00 0.00 0.00 175.10 175.85 3i2m s LEU 58 N 1.38 4.37 0.33 3.92 0.20 0.20 -0.83 118.68 128.25 3i2m s LEU 58 Ca 0.05 0.91 0.01 0.00 0.69 0.00 0.00 54.13 55.78 3i2m s LEU 58 Cb -0.13 -2.98 -0.01 0.00 -0.43 0.00 0.00 46.19 42.64 3i2m s LEU 58 CO -0.12 0.18 0.39 -0.83 -0.29 0.00 0.00 176.35 175.68 3i2m s GLY 59 N -1.61 1.75 0.00 7.98 0.00 -0.10 -1.85 107.32 113.48 3i2m s GLY 59 Ca 0.32 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.34 3i2m s GLY 59 CO 0.17 -1.17 0.00 0.54 0.00 0.00 0.00 173.10 172.64 3i2m n ARG 61 N -0.56 0.00 -4.02 2.90 1.74 -0.49 -2.29 116.66 113.93 3i2m n ARG 61 Ca 0.03 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 3i2m n ARG 61 Cb 0.62 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.91 3i2m n ARG 61 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i2m s ILE 62 N 0.00 2.59 0.60 0.55 1.01 0.19 -1.90 121.20 124.25 3i2m s ILE 62 Ca 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 3i2m s ILE 62 Cb 0.00 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.25 3i2m s ILE 62 CO 0.00 0.33 0.88 -0.54 0.00 0.00 0.00 174.94 175.61 3i2m s LYS 63 N 1.31 2.68 -1.78 2.79 1.02 -0.51 -1.46 119.74 123.79 3i2m s LYS 63 Ca 0.02 -0.27 -0.18 0.00 0.02 0.00 0.00 55.97 55.56 3i2m s LYS 63 Cb -0.15 -2.32 0.18 0.00 -0.52 0.00 0.00 37.83 35.02 3i2m s LYS 63 CO -0.07 -0.79 0.54 0.09 -0.92 0.00 0.00 175.35 174.20 3i2m n ASN 64 N -2.57 -1.67 0.00 2.83 3.02 -1.26 -4.79 115.26 110.82 3i2m n ASN 64 Ca 0.06 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3i2m n ASN 64 Cb 0.59 -1.90 0.00 0.00 -0.61 0.00 0.00 39.78 37.86 3i2m n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i2m n ALA 65 N -4.22 1.98 -3.24 5.41 0.00 -1.26 -4.95 120.51 114.23 3i2m n ALA 65 Ca 0.03 -0.84 -0.16 0.00 0.00 0.00 0.00 53.44 52.46 3i2m n ALA 65 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.80 3i2m n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i2m s LEU 66 N -0.71 1.62 -0.19 0.00 1.43 -1.26 -1.39 118.68 118.17 3i2m s LEU 66 Ca 0.00 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3i2m s LEU 66 Cb 0.00 -0.22 0.03 0.00 0.03 0.00 0.00 46.19 46.03 3i2m s LEU 66 CO 0.00 -0.02 -0.16 -0.89 0.23 0.00 0.00 176.35 175.51 3i2m s THR 67 N 0.44 1.97 0.61 5.49 2.01 -0.28 -4.55 115.64 121.34 3i2m s THR 67 Ca -0.04 -1.05 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 3i2m s THR 67 Cb -0.07 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 3i2m s THR 67 CO -0.01 0.38 1.19 -2.16 -0.69 0.00 0.00 174.62 173.33 3i2m s PRO 68 N 1.29 2.88 -0.19 4.92 0.04 -1.26 0.54 135.00 143.22 3i2m s PRO 68 Ca 0.02 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 3i2m s PRO 68 Cb -0.15 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3i2m s PRO 68 CO -0.11 -1.26 0.18 -0.51 0.04 0.00 0.00 177.00 175.34 3i2m s LEU 69 N -4.28 4.22 0.38 -3.56 1.43 -0.97 -4.81 118.68 111.08 3i2m s LEU 69 Ca 0.75 0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 53.92 3i2m s LEU 69 Cb -0.28 -2.17 -0.13 0.00 0.03 0.00 0.00 46.19 43.63 3i2m s LEU 69 CO 0.35 0.15 0.63 1.33 0.23 0.00 0.00 176.35 179.05 3i2m n VAL 70 N 3.55 1.85 -1.30 -1.59 0.24 -1.26 -4.45 118.33 115.36 3i2m n VAL 70 Ca -0.15 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3i2m n VAL 70 Cb 0.52 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 3i2m n VAL 70 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i2m n GLY 71 N 1.69 -0.04 2.97 7.63 0.00 -1.26 -5.06 105.19 111.12 3i2m n GLY 71 Ca 0.12 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 3i2m n GLY 71 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3i2m s HIS 72 N -2.87 0.64 -0.96 1.61 -0.00 -1.26 -4.87 115.29 107.58 3i2m s HIS 72 Ca 0.00 -0.13 -0.16 0.00 -0.00 0.00 0.00 55.06 54.78 3i2m s HIS 72 Cb 0.00 -0.44 0.18 0.00 -0.00 0.00 0.00 32.58 32.32 3i2m s HIS 72 CO 0.00 -0.04 1.06 0.99 -0.00 0.00 0.00 174.74 176.76 3i2m s THR 73 N 0.01 5.17 0.00 -5.38 2.01 -1.09 -4.06 115.64 112.30 3i2m s THR 73 Ca 0.00 -2.20 0.00 0.00 0.31 0.00 0.00 61.69 59.80 3i2m s THR 73 Cb -0.05 -4.69 0.00 0.00 0.01 0.00 0.00 72.50 67.77 3i2m s THR 73 CO -0.00 -1.35 0.00 -0.62 -0.69 0.00 0.00 174.62 171.96 3i2m n GLU 74 N 5.24 0.00 0.00 4.92 -0.58 -1.26 -4.92 120.64 124.03 3i2m n GLU 74 Ca 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 3i2m n GLU 74 Cb 0.46 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 3i2m n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i2m n GLY 75 N 0.00 1.60 2.63 0.62 0.00 -1.26 -3.64 105.19 105.14 3i2m n GLY 75 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 3i2m n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i2m n SER 76 N -1.89 5.27 -1.24 1.61 3.41 -1.26 -4.91 113.62 114.61 3i2m n SER 76 Ca 0.00 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.87 3i2m n SER 76 Cb 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 3i2m n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i2m n GLY 77 N -0.44 4.97 3.76 5.00 0.00 -1.24 -4.91 105.19 112.33 3i2m n GLY 77 Ca 0.41 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3i2m n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i2m s ASP 78 N -0.44 4.43 0.02 1.61 1.11 -1.26 -2.32 116.67 119.82 3i2m s ASP 78 Ca 0.00 1.86 0.01 0.00 0.18 0.00 0.00 52.55 54.60 3i2m s ASP 78 Cb 0.00 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 3i2m s ASP 78 CO 0.00 -2.09 -0.03 -0.69 1.18 0.00 0.00 175.17 173.54 3i2m s VAL 79 N -2.85 0.19 -0.29 -1.27 1.01 -0.47 -4.79 120.40 111.93 3i2m s VAL 79 Ca 0.62 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 3i2m s VAL 79 Cb -0.18 -0.28 0.18 0.00 0.00 0.00 0.00 36.38 36.11 3i2m s VAL 79 CO 0.55 -0.33 0.58 -0.55 0.00 0.00 0.00 175.10 175.35 3i2m s SER 80 N -1.08 -1.21 -0.10 3.32 0.15 -1.25 -1.95 113.70 111.57 3i2m s SER 80 Ca -0.10 0.83 0.01 0.00 0.70 0.00 0.00 55.95 57.39 3i2m s SER 80 Cb -0.07 2.06 0.02 0.00 -1.71 0.00 0.00 66.02 66.32 3i2m s SER 80 CO -0.00 -0.26 -0.11 -0.36 1.20 0.00 0.00 173.24 173.70 3i2m s PHE 81 N 2.83 1.65 -0.17 3.44 0.08 -0.53 -4.99 117.98 120.28 3i2m s PHE 81 Ca 0.19 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.47 3i2m s PHE 81 Cb -0.15 -1.26 0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3i2m s PHE 81 CO -0.20 -0.46 -0.09 0.45 -0.10 0.00 0.00 175.22 174.82 3i2m s SER 82 N 1.24 2.93 0.11 1.36 0.15 -1.26 -1.30 113.70 116.93 3i2m s SER 82 Ca -0.03 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 55.99 3i2m s SER 82 Cb -0.14 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.05 3i2m s SER 82 CO -0.04 -0.13 -0.09 0.72 1.20 0.00 0.00 173.24 174.90 3i2m s PHE 83 N 1.52 1.09 0.01 3.44 -0.12 -0.05 -1.23 117.98 122.65 3i2m s PHE 83 Ca 0.02 -0.74 -0.30 0.00 -0.05 0.00 0.00 56.93 55.85 3i2m s PHE 83 Cb -0.15 -0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 41.62 3i2m s PHE 83 CO -0.09 -0.00 1.12 -0.98 -0.05 0.00 0.00 175.22 175.22 3i2m s ARG 84 N -3.31 4.45 0.01 1.99 1.70 -1.26 0.51 118.95 123.04 3i2m s ARG 84 Ca 0.10 1.62 0.19 0.00 -0.47 0.00 0.00 55.73 57.17 3i2m s ARG 84 Cb 0.01 -3.44 0.82 0.00 -0.57 0.00 0.00 34.95 31.77 3i2m s ARG 84 CO -0.01 -0.24 1.61 0.27 -1.08 0.00 0.00 175.30 175.86 3i2m n ASN 85 N 4.26 0.03 -3.80 -2.89 6.94 -1.00 -3.82 115.26 114.98 3i2m n ASN 85 Ca 0.08 0.51 -0.30 0.00 -0.02 0.00 0.00 54.58 54.85 3i2m n ASN 85 Cb 0.48 -0.51 -0.14 0.00 -2.36 0.00 0.00 39.78 37.25 3i2m n ASN 85 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3i2m s THR 86 N -3.01 1.68 0.52 5.53 2.01 -1.26 -0.43 115.64 120.69 3i2m s THR 86 Ca 0.09 -2.56 -0.20 0.00 0.31 0.00 0.00 61.69 59.33 3i2m s THR 86 Cb 0.12 -2.19 -0.08 0.00 0.01 0.00 0.00 72.50 70.36 3i2m s THR 86 CO 0.35 -0.82 0.79 -1.20 -0.69 0.00 0.00 174.62 173.06 3i2m n SER 87 N 3.68 0.16 -4.63 3.53 7.64 -1.25 -4.81 113.62 117.94 3i2m n SER 87 Ca 0.06 0.86 -0.46 0.00 1.01 0.00 0.00 58.87 60.34 3i2m n SER 87 Cb 0.36 -1.28 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 3i2m n SER 87 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3i2m n VAL 88 N -1.27 0.98 -0.84 0.44 0.31 -1.26 -2.11 118.33 114.58 3i2m n VAL 88 Ca 0.12 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3i2m n VAL 88 Cb 0.44 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 3i2m n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i2m n GLY 89 N 2.04 0.11 3.98 2.92 0.00 -1.26 -4.98 105.19 107.99 3i2m n GLY 89 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 3i2m n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2m s SER 90 N -2.06 5.67 0.00 1.61 0.01 -0.90 -5.00 113.70 113.03 3i2m s SER 90 Ca 0.00 -0.05 0.15 0.00 1.31 0.00 0.00 55.95 57.37 3i2m s SER 90 Cb 0.00 -1.10 0.12 0.00 0.21 0.00 0.00 66.02 65.25 3i2m s SER 90 CO 0.00 -0.78 0.99 0.61 0.41 0.00 0.00 173.24 174.47 3i2m n GLY 91 N -2.01 0.12 3.63 3.44 0.00 -1.26 -4.87 105.19 104.24 3i2m n GLY 91 Ca 0.04 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 3i2m n GLY 91 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i2m s PHE 92 N -1.29 3.30 -0.23 1.61 5.36 -1.26 -5.03 117.98 120.44 3i2m s PHE 92 Ca 0.18 0.71 0.02 0.00 -0.96 0.00 0.00 56.93 56.89 3i2m s PHE 92 Cb 0.13 -2.73 0.05 0.00 -0.34 0.00 0.00 43.02 40.13 3i2m s PHE 92 CO 0.19 -0.23 -0.14 0.99 -1.46 0.00 0.00 175.22 174.57 3i2m s THR 93 N 2.14 2.10 0.14 0.12 2.01 -1.25 -3.87 115.64 117.03 3i2m s THR 93 Ca 0.23 -1.36 -0.28 0.00 0.31 0.00 0.00 61.69 60.59 3i2m s THR 93 Cb -0.16 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 3i2m s THR 93 CO 0.09 0.18 1.58 0.45 -0.69 0.00 0.00 174.62 176.23 3i2m h HIS 94 N 7.84 -1.26 -0.18 4.92 -0.00 -1.10 -1.83 115.15 123.55 3i2m h HIS 94 Ca -0.29 0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.12 3i2m h HIS 94 Cb 1.08 0.59 -0.01 0.00 -0.00 0.00 0.00 27.41 29.07 3i2m h HIS 94 CO 0.57 -0.46 -0.01 1.79 -0.00 0.00 0.00 177.93 179.82 3i2m h THR 95 N -0.40 1.12 -0.44 2.45 1.35 -1.96 0.11 112.91 115.15 3i2m h THR 95 Ca 0.11 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 3i2m h THR 95 Cb 0.60 1.01 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 3i2m h THR 95 CO -0.50 0.16 0.25 -0.09 -0.25 0.00 0.00 175.52 175.08 3i2m h ARG 96 N 0.25 0.62 -0.02 4.72 2.43 -1.73 -2.50 114.38 118.15 3i2m h ARG 96 Ca 0.06 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 58.95 3i2m h ARG 96 Cb 0.20 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3i2m h ARG 96 CO 0.01 0.48 -0.80 0.93 -1.51 0.00 0.00 179.97 179.08 3i2m h GLU 97 N 0.58 0.58 -0.88 0.20 4.39 -0.86 -2.81 114.58 115.78 3i2m h GLU 97 Ca 0.16 -0.60 0.05 0.00 0.34 0.00 0.00 59.36 59.31 3i2m h GLU 97 Cb 0.04 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 3i2m h GLU 97 CO -0.03 1.21 0.56 -0.07 -1.16 0.00 0.00 179.01 179.52 3i2m h LEU 98 N 0.19 0.91 -0.91 1.33 3.38 -0.78 -1.03 115.31 118.41 3i2m h LEU 98 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3i2m h LEU 98 Cb 1.47 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3i2m h LEU 98 CO 0.16 0.61 0.00 0.49 0.09 0.00 0.00 178.44 179.79 3i2m n PHE 99 N -4.56 0.25 -1.62 1.13 3.72 -0.94 -4.94 117.46 110.49 3i2m n PHE 99 Ca 0.12 -0.12 -0.47 0.00 -0.05 0.00 0.00 57.45 56.92 3i2m n PHE 99 Cb 0.13 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3i2m n PHE 99 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i2m n GLY 100 N 1.00 0.43 0.33 1.37 0.00 -0.39 -4.89 105.19 103.02 3i2m n GLY 100 Ca 0.13 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 46.65 3i2m n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2m h ALA 101 N 3.94 1.20 -0.65 4.61 0.00 -1.89 -3.02 119.26 123.45 3i2m h ALA 101 Ca -0.44 -0.17 -0.38 0.00 0.00 0.00 0.00 54.91 53.92 3i2m h ALA 101 Cb 1.31 -0.27 -0.20 0.00 0.00 0.00 0.00 17.79 18.64 3i2m h ALA 101 CO 0.74 0.58 0.48 -1.71 0.00 0.00 0.00 179.25 179.35 3i2m n ASN 102 N -4.30 4.85 -4.87 0.00 5.15 -1.26 -4.95 115.26 109.89 3i2m n ASN 102 Ca 0.06 -3.15 -0.35 0.00 -0.60 0.00 0.00 54.58 50.54 3i2m n ASN 102 Cb 0.18 -0.85 -0.05 0.00 -0.53 0.00 0.00 39.78 38.53 3i2m n ASN 102 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3i2m s VAL 103 N -2.53 5.18 -0.08 3.44 1.01 -1.14 -0.90 120.40 125.38 3i2m s VAL 103 Ca 0.39 0.41 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 3i2m s VAL 103 Cb 0.32 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3i2m s VAL 103 CO 0.04 0.38 -0.14 -0.11 0.00 0.00 0.00 175.10 175.28 3i2m n LEU 104 N 1.19 0.91 -4.18 3.92 7.94 0.86 -4.83 117.00 122.81 3i2m n LEU 104 Ca -0.11 0.15 -0.14 0.00 -1.11 0.00 0.00 56.01 54.80 3i2m n LEU 104 Cb 0.53 -0.35 -0.11 0.00 0.53 0.00 0.00 43.42 44.01 3i2m n LEU 104 CO 0.40 0.04 -0.41 -1.81 -1.11 0.00 0.00 177.39 174.49 3i2m s ASP 105 N -5.96 1.45 -0.28 1.96 1.01 -1.19 -4.90 116.67 108.77 3i2m s ASP 105 Ca -0.14 -0.83 -0.23 0.00 0.71 0.00 0.00 52.55 52.06 3i2m s ASP 105 Cb 0.05 0.01 0.09 0.00 1.01 0.00 0.00 42.92 44.08 3i2m s ASP 105 CO 0.18 -0.27 0.82 0.00 0.21 0.00 0.00 175.17 176.11 3i2m s ALA 106 N -2.54 -1.88 -0.09 5.23 0.00 -1.26 -2.03 121.76 119.19 3i2m s ALA 106 Ca 0.06 2.06 -0.14 0.00 0.00 0.00 0.00 51.96 53.94 3i2m s ALA 106 Cb -0.02 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.81 3i2m s ALA 106 CO -0.00 -0.32 0.35 0.20 0.00 0.00 0.00 175.76 175.99 3i2m s GLY 107 N 0.58 -0.23 -0.11 0.00 0.00 -0.81 -0.56 107.32 106.18 3i2m s GLY 107 Ca -0.01 0.78 0.02 0.00 0.00 0.00 0.00 44.72 45.51 3i2m s GLY 107 CO -0.05 0.61 -0.20 -0.42 0.00 0.00 0.00 173.10 173.05 3i2m s ILE 108 N -0.35 2.46 -0.01 0.90 1.01 -0.28 -1.06 121.20 123.88 3i2m s ILE 108 Ca -0.05 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3i2m s ILE 108 Cb -0.03 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3i2m s ILE 108 CO 0.02 0.55 -0.12 0.00 0.00 0.00 0.00 174.94 175.38 3i2m s ALA 109 N 0.30 1.01 -0.09 9.38 0.00 -0.45 0.34 121.76 132.26 3i2m s ALA 109 Ca -0.15 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3i2m s ALA 109 Cb -0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3i2m s ALA 109 CO 0.07 0.25 -0.11 -0.06 0.00 0.00 0.00 175.76 175.91 3i2m s PHE 110 N -0.30 2.83 0.06 0.00 0.08 0.34 -0.28 117.98 120.71 3i2m s PHE 110 Ca 0.05 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 56.74 3i2m s PHE 110 Cb -0.05 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 3i2m s PHE 110 CO -0.00 0.07 0.14 1.52 -0.10 0.00 0.00 175.22 176.85 3i2m s TYR 111 N -0.29 0.18 0.00 0.36 -0.85 -0.62 -2.64 117.35 113.49 3i2m s TYR 111 Ca 0.03 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 3i2m s TYR 111 Cb -0.13 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.10 3i2m s TYR 111 CO 0.03 -0.45 0.00 0.54 -1.52 0.00 0.00 175.55 174.14 3i2m n ARG 112 N 0.33 0.00 0.00 -3.49 5.12 -0.80 -1.27 116.66 116.55 3i2m n ARG 112 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 3i2m n ARG 112 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 3i2m n ARG 112 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3i2m n LYS 113 N 0.00 0.00 -1.06 5.56 5.02 -1.26 -2.55 118.16 123.87 3i2m n LYS 113 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i2m n LYS 113 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i2m n LYS 113 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3i2m n PRO 123 N -2.08 -0.40 -4.40 1.97 -0.06 -1.26 -4.71 135.00 124.06 3i2m n PRO 123 Ca 0.00 0.31 -0.29 0.00 -0.06 0.00 0.00 63.50 63.46 3i2m n PRO 123 Cb 0.00 -0.83 -0.17 0.00 -0.06 0.00 0.00 33.50 32.44 3i2m n PRO 123 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 175.50 174.30 3i2m s GLN 124 N -3.89 2.28 0.18 0.54 2.00 -1.26 -5.08 119.66 114.42 3i2m s GLN 124 Ca 0.00 -0.58 0.10 0.00 -2.00 0.00 0.00 55.36 52.88 3i2m s GLN 124 Cb 0.00 -1.95 -0.04 0.00 0.80 0.00 0.00 33.01 31.81 3i2m s GLN 124 CO 0.00 -0.09 -0.16 -0.06 -0.50 0.00 0.00 175.29 174.48 3i2m s PHE 125 N 1.06 2.50 -0.03 1.67 0.08 -0.39 -0.64 117.98 122.22 3i2m s PHE 125 Ca -0.05 -0.28 0.06 0.00 0.12 0.00 0.00 56.93 56.78 3i2m s PHE 125 Cb -0.15 -1.24 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 3i2m s PHE 125 CO -0.03 0.49 -0.20 0.08 -0.10 0.00 0.00 175.22 175.46 3i2m s VAL 126 N -1.62 1.60 -0.22 -0.44 1.01 0.44 -1.59 120.40 119.59 3i2m s VAL 126 Ca 0.22 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3i2m s VAL 126 Cb -0.09 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.01 3i2m s VAL 126 CO 0.13 0.45 0.02 -0.60 0.00 0.00 0.00 175.10 175.10 3i2m s ARG 127 N -0.29 0.88 -0.17 2.72 3.52 0.62 -1.18 118.95 125.04 3i2m s ARG 127 Ca 0.03 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 54.91 3i2m s ARG 127 Cb -0.10 -2.21 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 3i2m s ARG 127 CO 0.01 -0.67 0.16 0.99 -0.81 0.00 0.00 175.30 174.97 3i2m s THR 128 N 1.73 5.42 -0.10 4.11 2.01 -0.68 -1.34 115.64 126.78 3i2m s THR 128 Ca -0.01 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.28 3i2m s THR 128 Cb -0.18 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.87 3i2m s THR 128 CO -0.10 0.49 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.22 3i2m s THR 129 N -0.06 1.86 -0.04 -0.82 2.01 -0.22 -0.96 115.64 117.41 3i2m s THR 129 Ca 0.11 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.30 3i2m s THR 129 Cb -0.12 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 3i2m s THR 129 CO 0.01 0.51 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.57 3i2m s ILE 130 N 0.57 2.05 -0.12 1.82 -1.09 -0.16 -1.93 121.20 122.34 3i2m s ILE 130 Ca -0.14 -1.09 0.01 0.00 -2.23 0.00 0.00 60.65 57.20 3i2m s ILE 130 Cb -0.17 -1.72 0.02 0.00 -1.58 0.00 0.00 42.46 39.01 3i2m s ILE 130 CO 0.05 0.58 -0.13 -0.44 -1.23 0.00 0.00 174.94 173.77 3i2m s SER 131 N -0.38 2.37 0.76 3.58 0.01 -0.86 -1.89 113.70 117.29 3i2m s SER 131 Ca 0.03 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 56.86 3i2m s SER 131 Cb -0.12 -1.02 0.14 0.00 0.21 0.00 0.00 66.02 65.23 3i2m s SER 131 CO 0.01 -0.04 1.05 -0.31 0.41 0.00 0.00 173.24 174.36 3i2m s TYR 132 N 1.30 1.57 0.09 2.43 2.02 -0.84 -0.10 117.35 123.82 3i2m s TYR 132 Ca -0.01 -0.19 -0.18 0.00 -0.37 0.00 0.00 57.07 56.33 3i2m s TYR 132 Cb -0.14 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.22 3i2m s TYR 132 CO -0.06 -1.87 1.25 0.41 -1.57 0.00 0.00 175.55 173.72 3i2m n GLY 133 N -2.99 -2.66 3.68 0.71 0.00 -0.07 -4.03 105.19 99.82 3i2m n GLY 133 Ca 0.15 0.90 -0.42 0.00 0.00 0.00 0.00 46.02 46.65 3i2m n GLY 133 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i2m s ASP 134 N -4.48 6.65 0.00 1.61 -4.77 -1.26 -4.76 116.67 109.67 3i2m s ASP 134 Ca -0.07 2.37 -0.02 0.00 -3.30 0.00 0.00 52.55 51.52 3i2m s ASP 134 Cb 0.06 -2.55 -0.10 0.00 -1.09 0.00 0.00 42.92 39.24 3i2m s ASP 134 CO 0.35 -0.88 1.78 -3.20 0.70 0.00 0.00 175.17 173.91 3i2m n ASN 135 N 6.11 2.46 0.00 2.11 5.15 -1.26 -2.86 115.26 126.97 3i2m n ASN 135 Ca 0.16 -1.90 0.00 0.00 -0.60 0.00 0.00 54.58 52.24 3i2m n ASN 135 Cb 0.42 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 3i2m n ASN 135 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3i2m n LEU 136 N 2.58 0.72 -4.82 1.20 4.77 -1.26 -5.08 117.00 115.10 3i2m n LEU 136 Ca 0.16 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.81 3i2m n LEU 136 Cb 0.39 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 3i2m n LEU 136 CO 0.15 0.00 0.55 -0.89 -1.33 0.00 0.00 177.39 175.88 3i2m s THR 137 N -1.85 4.48 -0.04 -5.08 2.01 -1.13 -5.01 115.64 109.02 3i2m s THR 137 Ca 0.00 1.33 -0.29 0.00 0.31 0.00 0.00 61.69 63.04 3i2m s THR 137 Cb 0.00 -3.68 0.10 0.00 0.01 0.00 0.00 72.50 68.93 3i2m s THR 137 CO 0.00 -0.17 0.85 -0.94 -0.69 0.00 0.00 174.62 173.67 3i2m s SER 138 N -2.09 -0.44 -0.02 3.53 1.04 -1.26 -1.98 113.70 112.47 3i2m s SER 138 Ca 0.56 0.25 0.03 0.00 0.48 0.00 0.00 55.95 57.27 3i2m s SER 138 Cb -0.11 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 3i2m s SER 138 CO 0.17 -0.58 -0.11 -0.89 0.98 0.00 0.00 173.24 172.81 3i2m s THR 139 N -2.24 0.92 -0.33 2.02 2.01 -0.79 -5.00 115.64 112.24 3i2m s THR 139 Ca -0.00 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.56 3i2m s THR 139 Cb -0.01 -0.80 0.10 0.00 0.01 0.00 0.00 72.50 71.80 3i2m s THR 139 CO -0.03 0.27 0.06 -0.69 -0.69 0.00 0.00 174.62 173.54 3i2m s VAL 140 N 0.01 1.85 0.32 3.82 1.01 -1.26 -0.99 120.40 125.16 3i2m s VAL 140 Ca -0.01 -2.03 -0.03 0.00 0.00 0.00 0.00 61.98 59.92 3i2m s VAL 140 Cb -0.08 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3i2m s VAL 140 CO 0.00 -0.60 0.56 -2.28 0.00 0.00 0.00 175.10 172.79 3i2m s HIS 141 N 1.13 3.49 -0.18 5.22 2.46 -0.13 -4.93 115.29 122.33 3i2m s HIS 141 Ca 0.10 0.54 -0.06 0.00 0.47 0.00 0.00 55.06 56.10 3i2m s HIS 141 Cb -0.18 -2.03 0.09 0.00 -0.13 0.00 0.00 32.58 30.32 3i2m s HIS 141 CO -0.13 0.13 0.39 0.21 -2.47 0.00 0.00 174.74 172.87 3i2m s LYS 142 N -3.89 0.29 0.20 2.88 2.20 -1.26 -1.69 119.74 118.47 3i2m s LYS 142 Ca 0.42 0.98 0.04 0.00 -0.36 0.00 0.00 55.97 57.05 3i2m s LYS 142 Cb -0.10 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 3i2m s LYS 142 CO 0.33 -0.26 0.18 0.45 -0.36 0.00 0.00 175.35 175.70 3i2m n SER 143 N 5.37 -0.47 -4.84 1.43 2.88 -0.32 -4.97 113.62 112.70 3i2m n SER 143 Ca -0.08 -2.30 -0.37 0.00 -1.33 0.00 0.00 58.87 54.79 3i2m n SER 143 Cb 0.50 1.07 -0.06 0.00 -0.75 0.00 0.00 64.21 64.96 3i2m n SER 143 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3i2m s VAL 144 N -2.80 5.23 -0.68 2.46 1.01 -1.26 -0.42 120.40 123.94 3i2m s VAL 144 Ca 0.23 0.59 -0.20 0.00 0.00 0.00 0.00 61.98 62.60 3i2m s VAL 144 Cb 0.01 -3.60 0.10 0.00 0.00 0.00 0.00 36.38 32.89 3i2m s VAL 144 CO 0.16 0.57 0.87 -0.69 0.00 0.00 0.00 175.10 176.01 3i2m s VAL 145 N -0.86 4.66 -0.10 2.92 1.01 0.18 -4.67 120.40 123.56 3i2m s VAL 145 Ca 0.20 -0.94 0.17 0.00 0.00 0.00 0.00 61.98 61.41 3i2m s VAL 145 Cb -0.15 -4.61 0.37 0.00 0.00 0.00 0.00 36.38 32.00 3i2m s VAL 145 CO 0.09 -1.31 1.17 -0.90 0.00 0.00 0.00 175.10 174.16 3i2m n ASP 146 N 6.75 1.33 -2.06 3.32 5.75 -1.23 -4.68 116.55 125.73 3i2m n ASP 146 Ca -0.01 -2.89 -0.26 0.00 -0.01 0.00 0.00 54.79 51.62 3i2m n ASP 146 Cb 0.45 -0.40 0.05 0.00 -1.03 0.00 0.00 41.12 40.19 3i2m n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i2m n GLN 147 N -0.40 3.27 0.15 0.11 1.13 -0.36 -4.79 117.38 116.49 3i2m n GLN 147 Ca 0.12 -3.88 0.16 0.00 -1.94 0.00 0.00 57.00 51.46 3i2m n GLN 147 Cb 0.87 -2.26 0.73 0.00 0.11 0.00 0.00 30.24 29.70 3i2m n GLN 147 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 3i2m h LYS 148 N 2.07 0.00 0.00 -1.09 2.10 -1.87 -2.44 116.57 115.34 3i2m h LYS 148 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 3i2m h LYS 148 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 3i2m h LYS 148 CO 0.97 0.00 0.00 0.78 -2.00 0.00 0.00 179.45 179.20 3i2m h GLY 149 N 0.00 0.00 -6.57 0.07 0.00 -1.95 -3.41 103.07 91.22 3i2m h GLY 149 Ca 0.12 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.85 3i2m h GLY 149 CO -0.00 0.00 -0.46 -0.42 0.00 0.00 0.00 176.54 175.66 3i2m s ILE 150 N -3.81 5.37 0.25 2.60 1.01 -0.92 -5.09 121.20 120.61 3i2m s ILE 150 Ca -0.02 0.26 0.10 0.00 0.00 0.00 0.00 60.65 60.98 3i2m s ILE 150 Cb 0.10 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3i2m s ILE 150 CO 0.35 0.38 -0.03 -0.76 0.00 0.00 0.00 174.94 174.89 3i2m s LEU 151 N 0.72 3.13 0.03 2.97 1.43 -1.26 -4.90 118.68 120.79 3i2m s LEU 151 Ca 0.09 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 3i2m s LEU 151 Cb -0.12 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3i2m s LEU 151 CO 0.02 0.02 1.11 -2.84 0.23 0.00 0.00 176.35 174.89 3i2m s PRO 152 N -3.52 4.48 0.00 1.29 0.02 -1.26 -4.84 135.00 131.18 3i2m s PRO 152 Ca 0.30 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3i2m s PRO 152 Cb -0.07 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3i2m s PRO 152 CO 0.19 -0.18 0.01 1.97 -0.33 0.00 0.00 177.00 178.66 3i2m n PHE 153 N 3.97 0.00 -0.36 6.54 1.16 -1.26 -4.85 117.46 122.65 3i2m n PHE 153 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.64 3i2m n PHE 153 Cb 0.48 0.00 0.11 0.00 -1.61 0.00 0.00 39.48 38.46 3i2m n PHE 153 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3i2m h HIS 154 N 0.00 1.21 -0.20 2.97 3.86 -2.00 -2.40 115.15 118.59 3i2m h HIS 154 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3i2m h HIS 154 Cb 0.03 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.09 3i2m h HIS 154 CO 0.00 0.76 0.00 -0.25 0.86 0.00 0.00 177.93 179.30 3i2m n ASP 155 N -4.42 1.88 -4.20 2.45 10.43 -1.26 -5.08 116.55 116.35 3i2m n ASP 155 Ca 0.11 -1.76 -0.41 0.00 2.57 0.00 0.00 54.79 55.31 3i2m n ASP 155 Cb 0.02 -0.13 -0.07 0.00 1.84 0.00 0.00 41.12 42.79 3i2m n ASP 155 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3i2m s ARG 156 N -1.75 2.92 -0.41 -1.24 0.52 -0.91 -5.11 118.95 112.97 3i2m s ARG 156 Ca 0.32 -2.34 0.01 0.00 -0.52 0.00 0.00 55.73 53.21 3i2m s ARG 156 Cb 0.18 -4.02 0.11 0.00 0.52 0.00 0.00 34.95 31.74 3i2m s ARG 156 CO 0.26 -1.22 0.16 -2.00 0.02 0.00 0.00 175.30 172.52 3i2m s GLU 158 N 0.33 1.81 0.00 3.54 -6.30 -1.26 -5.04 118.70 111.78 3i2m s GLU 158 Ca 0.15 -2.04 0.00 0.00 -2.50 0.00 0.00 54.97 50.58 3i2m s GLU 158 Cb -0.18 -3.38 0.00 0.00 0.00 0.00 0.00 34.13 30.57 3i2m s GLU 158 CO -0.05 -1.03 0.00 0.00 0.02 0.00 0.00 175.26 174.21 3i2m n ALA 159 N 4.11 0.00 0.00 6.30 0.00 -1.26 -4.73 120.51 124.93 3i2m n ALA 159 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i2m n ALA 159 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3i2m n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2m n GLY 160 N 5.00 1.46 5.74 0.00 0.00 -1.26 -4.58 105.19 111.56 3i2m n GLY 160 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3i2m n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2m n GLY 161 N 0.00 0.46 0.00 -0.02 0.00 -1.26 -1.77 105.19 102.60 3i2m n GLY 161 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i2m n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2m n ARG 162 N 0.00 0.00 -0.42 1.61 1.74 -1.26 -4.99 116.66 113.34 3i2m n ARG 162 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 3i2m n ARG 162 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 3i2m n ARG 162 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i2m n THR 163 N 0.00 0.36 -2.19 0.55 -1.04 -0.73 -4.47 114.28 106.76 3i2m n THR 163 Ca 0.00 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.49 3i2m n THR 163 Cb 0.33 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.81 3i2m n THR 163 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3i2m s THR 164 N -0.18 3.83 0.16 12.58 2.01 -1.26 -4.76 115.64 128.01 3i2m s THR 164 Ca 0.21 0.95 0.05 0.00 0.31 0.00 0.00 61.69 63.21 3i2m s THR 164 Cb -0.31 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 3i2m s THR 164 CO 0.16 -0.27 -0.10 -0.13 -0.69 0.00 0.00 174.62 173.59 3i2m s ARG 165 N 4.36 1.12 0.01 4.92 0.52 -0.57 -1.33 118.95 127.98 3i2m s ARG 165 Ca 0.67 -1.49 -0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3i2m s ARG 165 Cb -0.24 -0.68 0.00 0.00 0.52 0.00 0.00 34.95 34.55 3i2m s ARG 165 CO 0.26 0.07 0.01 -0.11 0.02 0.00 0.00 175.30 175.56 3i2m n LEU 166 N -0.24 0.00 -3.53 2.53 7.94 0.05 -1.48 117.00 122.26 3i2m n LEU 166 Ca -0.09 -0.09 -0.17 0.00 -1.11 0.00 0.00 56.01 54.54 3i2m n LEU 166 Cb 0.61 0.08 -0.06 0.00 0.53 0.00 0.00 43.42 44.58 3i2m n LEU 166 CO 0.33 -0.02 0.46 -0.76 -1.11 0.00 0.00 177.39 176.29 3i2m s LEU 168 N 0.00 -0.65 0.68 -1.96 1.02 -1.26 -1.46 118.68 115.04 3i2m s LEU 168 Ca 0.01 0.76 -0.10 0.00 0.02 0.00 0.00 54.13 54.82 3i2m s LEU 168 Cb -0.00 2.49 0.02 0.00 0.02 0.00 0.00 46.19 48.72 3i2m s LEU 168 CO 0.01 -0.56 1.04 0.00 0.02 0.00 0.00 176.35 176.85 3i2m h GLY 170 N -0.52 0.08 0.15 0.00 0.00 -1.95 -1.16 103.07 99.66 3i2m h GLY 170 Ca -0.45 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.13 3i2m h GLY 170 CO 0.63 -0.19 -0.50 0.07 0.00 0.00 0.00 176.54 176.54 3i2m h LYS 171 N -0.13 -0.71 -0.92 4.80 -0.00 -1.95 -1.89 116.57 115.78 3i2m h LYS 171 Ca 0.19 0.05 0.04 0.00 -0.00 0.00 0.00 60.65 60.93 3i2m h LYS 171 Cb 0.42 0.16 -0.06 0.00 -0.00 0.00 0.00 32.23 32.75 3i2m h LYS 171 CO -0.46 -0.47 0.60 1.15 -0.00 0.00 0.00 179.45 180.27 3i2m h THR 172 N -0.74 1.13 -0.63 0.07 2.02 -1.92 -2.27 112.91 110.58 3i2m h THR 172 Ca -0.01 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 3i2m h THR 172 Cb 0.73 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3i2m h THR 172 CO -0.25 0.21 0.32 1.23 0.37 0.00 0.00 175.52 177.39 3i2m h GLY 173 N 1.12 0.95 1.36 2.16 0.00 -0.91 -0.38 103.07 107.38 3i2m h GLY 173 Ca 0.37 -0.46 -0.20 0.00 0.00 0.00 0.00 47.33 47.05 3i2m h GLY 173 CO -0.12 0.44 -0.70 0.00 0.00 0.00 0.00 176.54 176.15 3i2m h ALA 174 N 1.15 0.48 -0.58 3.60 0.00 -1.13 -2.22 119.26 120.55 3i2m h ALA 174 Ca 0.22 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3i2m h ALA 174 Cb 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3i2m h ALA 174 CO -0.03 0.71 0.21 0.35 0.00 0.00 0.00 179.25 180.49 3i2m h PHE 175 N 0.45 0.91 -0.44 0.00 3.57 -1.21 0.49 116.94 120.71 3i2m h PHE 175 Ca -0.03 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3i2m h PHE 175 Cb 1.30 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 3i2m h PHE 175 CO 0.06 0.74 0.21 1.25 -2.23 0.00 0.00 178.31 178.35 3i2m h LEU 176 N 0.81 0.58 -0.83 0.59 5.85 -1.02 -1.34 115.31 119.94 3i2m h LEU 176 Ca 0.19 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3i2m h LEU 176 Cb 0.24 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3i2m h LEU 176 CO -0.01 0.54 -0.14 0.25 -0.34 0.00 0.00 178.44 178.74 3i2m h LEU 177 N 0.57 0.72 -0.33 2.25 6.46 -1.08 0.74 115.31 124.64 3i2m h LEU 177 Ca 0.15 -0.22 -0.10 0.00 -0.12 0.00 0.00 57.88 57.60 3i2m h LEU 177 Cb 0.12 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 3i2m h LEU 177 CO -0.02 0.87 -0.17 0.11 -0.62 0.00 0.00 178.44 178.61 3i2m h LYS 178 N 0.65 0.69 -0.31 1.25 1.57 -0.71 -2.23 116.57 117.49 3i2m h LYS 178 Ca 0.11 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3i2m h LYS 178 Cb 0.60 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3i2m h LYS 178 CO 0.04 0.91 0.15 2.35 -0.57 0.00 0.00 179.45 182.33 3i2m h TRP 179 N 0.46 0.44 -0.41 -1.35 7.01 -1.02 -2.18 115.95 118.91 3i2m h TRP 179 Ca 0.07 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.07 3i2m h TRP 179 Cb 0.71 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.60 3i2m h TRP 179 CO 0.06 0.39 0.25 -0.07 -2.79 0.00 0.00 178.44 176.28 3i2m h LEU 180 N 0.37 0.41 0.07 0.65 3.38 -0.79 -3.05 115.31 116.35 3i2m h LEU 180 Ca 0.11 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3i2m h LEU 180 Cb 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3i2m h LEU 180 CO -0.01 0.30 -0.12 0.03 0.09 0.00 0.00 178.44 178.72 3i2m h ARG 181 N 0.51 -0.23 -0.20 1.13 3.08 -1.21 -2.64 114.38 114.81 3i2m h ARG 181 Ca 0.16 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3i2m h ARG 181 Cb -0.01 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3i2m h ARG 181 CO -0.06 -0.15 0.00 0.00 -1.07 0.00 0.00 179.97 178.68 3i2m n GLN 182 N -5.25 0.44 -0.01 0.04 10.64 -0.83 -1.93 117.38 120.48 3i2m n GLN 182 Ca -0.06 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.13 3i2m n GLN 182 Cb 0.17 -1.10 -0.07 0.00 -0.86 0.00 0.00 30.24 28.38 3i2m n GLN 182 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3i2m n GLN 183 N -0.15 0.83 -1.74 2.61 1.13 -1.00 -5.04 117.38 114.02 3i2m n GLN 183 Ca 0.00 -0.06 -0.40 0.00 -1.94 0.00 0.00 57.00 54.60 3i2m n GLN 183 Cb 0.05 -1.20 0.03 0.00 0.11 0.00 0.00 30.24 29.22 3i2m n GLN 183 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3i2m n LYS 184 N -1.91 1.97 -1.33 -1.09 4.81 -0.81 -5.05 118.16 114.75 3i2m n LYS 184 Ca -0.04 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 3i2m n LYS 184 Cb 0.35 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 32.84 3i2m n LYS 184 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i2m n THR 185 N -0.54 0.00 0.09 3.15 -2.24 -1.26 -5.04 114.28 108.44 3i2m n THR 185 Ca 0.07 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.69 3i2m n THR 185 Cb 0.42 -0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.20 3i2m n THR 185 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3i2m h LYS 186 N 0.00 0.40 -6.27 -0.78 1.63 -2.03 -3.44 116.57 106.08 3i2m h LYS 186 Ca 0.00 -0.55 -0.55 0.00 -0.85 0.00 0.00 60.65 58.69 3i2m h LYS 186 Cb 0.00 0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 3i2m h LYS 186 CO 0.00 1.22 0.07 -2.00 -3.45 0.00 0.00 179.45 175.29 3i2m s GLU 187 N -2.93 4.39 0.38 1.90 2.56 -1.26 -5.04 118.70 118.70 3i2m s GLU 187 Ca -0.06 0.91 -0.27 0.00 0.00 0.00 0.00 54.97 55.55 3i2m s GLU 187 Cb 0.07 -3.30 -0.09 0.00 2.00 0.00 0.00 34.13 32.81 3i2m s GLU 187 CO 0.89 0.46 1.26 0.34 -0.56 0.00 0.00 175.26 177.65 3i2m s ASP 188 N -0.59 6.50 0.46 -1.70 2.15 -1.26 -5.05 116.67 117.18 3i2m s ASP 188 Ca 0.33 2.57 0.05 0.00 0.43 0.00 0.00 52.55 55.94 3i2m s ASP 188 Cb -0.20 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.75 3i2m s ASP 188 CO 0.21 -0.71 0.13 -1.10 -0.17 0.00 0.00 175.17 173.53 3i2m s GLN 189 N -2.12 2.17 -0.14 4.34 -0.21 -1.26 -5.01 119.66 117.43 3i2m s GLN 189 Ca 0.55 -2.08 0.02 0.00 0.02 0.00 0.00 55.36 53.86 3i2m s GLN 189 Cb -0.36 -1.81 -0.00 0.00 1.00 0.00 0.00 33.01 31.84 3i2m s GLN 189 CO 0.47 -0.25 -0.18 0.95 -2.12 0.00 0.00 175.29 174.16 3i2m s THR 190 N -2.72 2.44 -0.06 -0.19 -4.23 -1.26 -1.72 115.64 107.90 3i2m s THR 190 Ca 0.29 -0.86 -0.16 0.00 -1.18 0.00 0.00 61.69 59.78 3i2m s THR 190 Cb 0.04 -2.00 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 3i2m s THR 190 CO 0.16 0.53 0.42 -0.69 -0.54 0.00 0.00 174.62 174.50 3i2m s VAL 191 N 0.65 5.12 -0.24 2.29 1.01 0.31 -4.70 120.40 124.84 3i2m s VAL 191 Ca -0.09 0.84 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 3i2m s VAL 191 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3i2m s VAL 191 CO 0.02 0.47 0.13 0.42 0.00 0.00 0.00 175.10 176.15 3i2m s THR 192 N -0.29 5.05 -0.19 3.92 -4.23 0.44 -1.03 115.64 119.31 3i2m s THR 192 Ca 0.23 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 3i2m s THR 192 Cb -0.16 -3.36 -0.00 0.00 1.34 0.00 0.00 72.50 70.33 3i2m s THR 192 CO 0.11 0.34 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.72 3i2m s VAL 193 N 1.25 2.87 0.14 2.29 1.01 0.59 -0.94 120.40 127.61 3i2m s VAL 193 Ca 0.06 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3i2m s VAL 193 Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3i2m s VAL 193 CO 0.05 0.48 -0.14 -0.94 0.00 0.00 0.00 175.10 174.56 3i2m s SER 194 N 1.21 2.09 -0.09 3.32 1.04 -0.38 -0.72 113.70 120.18 3i2m s SER 194 Ca 0.02 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.60 3i2m s SER 194 Cb -0.14 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 65.92 3i2m s SER 194 CO -0.05 -0.17 -0.12 -0.69 0.98 0.00 0.00 173.24 173.19 3i2m s VAL 195 N -2.41 1.23 -0.27 5.02 1.01 0.63 -1.20 120.40 124.42 3i2m s VAL 195 Ca 0.12 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 3i2m s VAL 195 Cb -0.03 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3i2m s VAL 195 CO 0.03 0.38 0.06 -0.55 0.00 0.00 0.00 175.10 175.03 3i2m s SER 196 N 0.92 5.01 0.06 3.32 0.15 -0.38 -2.14 113.70 120.63 3i2m s SER 196 Ca -0.09 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 55.94 3i2m s SER 196 Cb -0.15 -1.88 -0.13 0.00 -1.71 0.00 0.00 66.02 62.15 3i2m s SER 196 CO 0.00 -0.10 1.33 -0.08 1.20 0.00 0.00 173.24 175.59 3i2m h GLU 197 N 8.22 0.55 -1.00 5.44 4.81 -1.87 -0.33 114.58 130.40 3i2m h GLU 197 Ca -0.36 -0.35 0.18 0.00 -0.13 0.00 0.00 59.36 58.71 3i2m h GLU 197 Cb 1.15 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.47 3i2m h GLU 197 CO 0.59 0.95 0.62 1.15 -0.73 0.00 0.00 179.01 181.59 3i2m h THR 198 N 0.21 0.73 -0.25 0.32 2.02 -1.97 -2.93 112.91 111.04 3i2m h THR 198 Ca 0.01 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3i2m h THR 198 Cb 0.92 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3i2m h THR 198 CO 0.07 0.14 0.00 0.18 0.37 0.00 0.00 175.52 176.28 3i2m n LEU 199 N -4.73 2.80 -4.06 2.58 4.77 -1.20 -5.01 117.00 112.16 3i2m n LEU 199 Ca 0.23 -2.13 -0.45 0.00 -0.03 0.00 0.00 56.01 53.63 3i2m n LEU 199 Cb 0.56 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3i2m n LEU 199 CO 0.23 0.68 -0.18 -1.20 -1.33 0.00 0.00 177.39 175.58 3i2m n SER 200 N 0.14 -4.16 -3.79 -1.43 7.64 -0.15 -4.87 113.62 107.01 3i2m n SER 200 Ca 0.10 -1.27 -0.13 0.00 1.01 0.00 0.00 58.87 58.59 3i2m n SER 200 Cb 0.44 -1.57 -0.12 0.00 -1.01 0.00 0.00 64.21 61.94 3i2m n SER 200 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3i2m s ILE 201 N -3.46 -0.00 -0.13 0.44 2.07 -1.10 -2.15 121.20 116.87 3i2m s ILE 201 Ca 0.43 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.67 3i2m s ILE 201 Cb -0.24 -0.32 -0.02 0.00 0.13 0.00 0.00 42.46 42.01 3i2m s ILE 201 CO 0.96 0.01 -0.08 -0.69 -1.91 0.00 0.00 174.94 173.23 3i2m s VAL 202 N 0.25 3.49 -0.05 4.00 1.01 0.14 -1.25 120.40 127.98 3i2m s VAL 202 Ca -0.01 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.52 3i2m s VAL 202 Cb -0.03 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3i2m s VAL 202 CO -0.01 0.52 -0.25 -0.89 0.00 0.00 0.00 175.10 174.48 3i2m s THR 203 N 0.17 2.04 -0.19 3.92 2.01 -0.34 -1.10 115.64 122.14 3i2m s THR 203 Ca -0.04 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.88 3i2m s THR 203 Cb -0.14 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.65 3i2m s THR 203 CO 0.04 0.57 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.07 3i2m s PHE 204 N -0.21 2.87 -0.01 4.92 0.08 -0.32 -1.25 117.98 124.06 3i2m s PHE 204 Ca -0.02 -1.07 0.00 0.00 0.12 0.00 0.00 56.93 55.96 3i2m s PHE 204 Cb -0.13 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 3i2m s PHE 204 CO 0.03 -0.55 0.01 0.45 -0.10 0.00 0.00 175.22 175.06 3i2m s SER 205 N 1.16 0.15 0.36 1.36 0.15 -0.12 -0.36 113.70 116.41 3i2m s SER 205 Ca 0.01 0.00 -0.13 0.00 0.70 0.00 0.00 55.95 56.54 3i2m s SER 205 Cb -0.14 -0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.14 3i2m s SER 205 CO -0.04 -0.06 0.71 0.00 1.20 0.00 0.00 173.24 175.05 3i2m n LEU 206 N 3.68 0.00 0.00 3.45 -0.00 -0.76 -0.42 117.00 122.95 3i2m n LEU 206 Ca -0.21 -2.40 0.00 0.00 -0.00 0.00 0.00 56.01 53.40 3i2m n LEU 206 Cb 0.54 3.43 0.00 0.00 -0.00 0.00 0.00 43.42 47.40 3i2m n LEU 206 CO 0.24 -0.78 0.00 0.61 -0.00 0.00 0.00 177.39 177.46 3i2m n GLY 207 N -0.50 2.36 1.81 1.47 0.00 -1.26 -0.24 105.19 108.83 3i2m n GLY 207 Ca -0.07 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 3i2m n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2m n GLY 208 N 0.00 3.10 3.08 -0.02 0.00 -1.26 -5.07 105.19 105.02 3i2m n GLY 208 Ca 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 3i2m n GLY 208 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i2m s VAL 209 N -2.64 0.61 0.03 1.61 -7.23 0.67 -5.17 120.40 108.28 3i2m s VAL 209 Ca 0.36 -1.12 0.02 0.00 -1.81 0.00 0.00 61.98 59.44 3i2m s VAL 209 Cb 0.37 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 3i2m s VAL 209 CO -0.07 -0.37 -0.08 -0.44 -0.31 0.00 0.00 175.10 173.83 3i2m s SER 210 N -1.62 0.90 -0.12 4.85 0.01 -1.26 -1.84 113.70 114.62 3i2m s SER 210 Ca -0.09 -0.38 0.03 0.00 1.31 0.00 0.00 55.95 56.82 3i2m s SER 210 Cb -0.10 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.12 3i2m s SER 210 CO 0.01 -0.08 -0.22 -0.75 0.41 0.00 0.00 173.24 172.61 3i2m s LYS 211 N -1.02 2.94 -0.12 12.44 2.36 0.51 -4.97 119.74 131.89 3i2m s LYS 211 Ca -0.04 -0.83 -0.02 0.00 -2.55 0.00 0.00 55.97 52.52 3i2m s LYS 211 Cb -0.07 -2.31 -0.03 0.00 -1.05 0.00 0.00 37.83 34.37 3i2m s LYS 211 CO 0.00 0.07 -0.04 0.42 1.55 0.00 0.00 175.35 177.35 3i2m s ILE 212 N 0.61 3.89 -0.09 5.43 -1.09 -1.26 -1.18 121.20 127.52 3i2m s ILE 212 Ca -0.12 -0.38 -0.02 0.00 -2.23 0.00 0.00 60.65 57.89 3i2m s ILE 212 Cb -0.17 -2.66 0.04 0.00 -1.58 0.00 0.00 42.46 38.09 3i2m s ILE 212 CO 0.03 0.55 0.03 -0.63 -1.23 0.00 0.00 174.94 173.69 3i2m s ILE 213 N -0.22 0.21 0.32 2.92 1.01 -0.26 -5.00 121.20 120.19 3i2m s ILE 213 Ca 0.04 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.78 3i2m s ILE 213 Cb -0.13 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 3i2m s ILE 213 CO 0.02 0.11 0.49 1.51 0.00 0.00 0.00 174.94 177.07 3i2m s ASP 214 N 2.03 6.28 0.34 3.58 -4.77 -1.26 0.27 116.67 123.13 3i2m s ASP 214 Ca 0.04 0.30 0.07 0.00 -3.30 0.00 0.00 52.55 49.66 3i2m s ASP 214 Cb -0.13 -1.94 -0.02 0.00 -1.09 0.00 0.00 42.92 39.73 3i2m s ASP 214 CO -0.06 -0.24 0.32 2.22 0.70 0.00 0.00 175.17 178.11 3i2m n PHE 215 N -1.67 -0.90 -3.76 2.11 1.16 -0.91 -4.63 117.46 108.86 3i2m n PHE 215 Ca -0.06 -2.77 -0.37 0.00 -1.87 0.00 0.00 57.45 52.37 3i2m n PHE 215 Cb 0.57 0.33 -0.13 0.00 -1.61 0.00 0.00 39.48 38.64 3i2m n PHE 215 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 3i2m s LYS 216 N -3.29 2.76 0.23 3.97 0.00 -1.26 -4.85 119.74 117.30 3i2m s LYS 216 Ca 0.39 -1.08 -0.30 0.00 0.00 0.00 0.00 55.97 54.98 3i2m s LYS 216 Cb 0.02 -3.41 -0.10 0.00 0.00 0.00 0.00 37.83 34.34 3i2m s LYS 216 CO 0.28 -0.59 1.41 -1.25 0.00 0.00 0.00 175.35 175.20 3i2m s PRO 217 N 1.43 4.30 -0.36 1.78 0.04 -1.26 -3.05 135.00 137.88 3i2m s PRO 217 Ca -0.00 2.24 -0.19 0.00 0.04 0.00 0.00 61.00 63.08 3i2m s PRO 217 Cb -0.19 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3i2m s PRO 217 CO 0.02 -0.39 0.57 -2.00 0.04 0.00 0.00 177.00 175.25 3i2m s GLU 218 N -0.20 3.62 0.03 4.56 2.56 -0.55 -4.96 118.70 123.76 3i2m s GLU 218 Ca 0.59 -0.09 -0.28 0.00 0.00 0.00 0.00 54.97 55.19 3i2m s GLU 218 Cb -0.40 -3.82 -0.16 0.00 2.00 0.00 0.00 34.13 31.75 3i2m s GLU 218 CO 0.41 -0.70 1.22 1.15 -0.56 0.00 0.00 175.26 176.78 3i2m h THR 219 N 5.65 0.00 -2.22 -1.70 2.02 -1.94 -3.46 112.91 111.26 3i2m h THR 219 Ca -0.27 -0.19 -0.62 0.00 0.77 0.00 0.00 66.41 66.10 3i2m h THR 219 Cb 1.12 0.00 0.10 0.00 -1.74 0.00 0.00 68.15 67.62 3i2m h THR 219 CO 0.80 0.00 0.17 0.29 0.37 0.00 0.00 175.52 177.15 3i2m n LYS 220 N -5.27 1.25 -1.77 6.66 4.76 -1.26 -4.90 118.16 117.64 3i2m n LYS 220 Ca -0.13 0.44 -0.42 0.00 -2.87 0.00 0.00 58.31 55.34 3i2m n LYS 220 Cb 0.40 -1.85 -0.03 0.00 -1.84 0.00 0.00 35.03 31.71 3i2m n LYS 220 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3i2m s PRO 221 N -1.06 4.15 -0.01 1.97 0.04 -1.26 -5.00 135.00 133.83 3i2m s PRO 221 Ca 0.64 2.55 -0.01 0.00 0.04 0.00 0.00 61.00 64.22 3i2m s PRO 221 Cb -0.76 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 30.51 3i2m s PRO 221 CO 0.57 -0.76 0.03 0.54 0.04 0.00 0.00 177.00 177.42 3i2m s VAL 222 N 1.73 -0.01 -0.12 -0.36 0.11 -1.26 -5.13 120.40 115.35 3i2m s VAL 222 Ca 0.76 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.87 3i2m s VAL 222 Cb -0.47 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 3i2m s VAL 222 CO 0.33 0.02 -0.18 -0.94 -3.33 0.00 0.00 175.10 171.00 3i2m s SER 223 N 0.23 3.56 0.00 3.54 1.04 -1.26 -4.89 113.70 115.92 3i2m s SER 223 Ca -0.02 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3i2m s SER 223 Cb -0.03 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.57 3i2m s SER 223 CO -0.01 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.97 3i2m n GLY 224 N 3.65 -1.89 0.07 7.32 0.00 -1.26 -4.46 105.19 108.61 3i2m n GLY 224 Ca -0.19 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.51 3i2m n GLY 224 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3i2m h TRP 225 N 0.00 0.00 -3.80 1.61 4.06 -2.01 -3.46 115.95 112.35 3i2m h TRP 225 Ca 0.00 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.43 3i2m h TRP 225 Cb 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 28.20 3i2m h TRP 225 CO 0.00 0.00 0.57 -0.51 -3.56 0.00 0.00 178.44 174.94 3i2m s ASP 226 N -4.39 6.99 0.00 -3.49 1.01 -1.26 -2.31 116.67 113.22 3i2m s ASP 226 Ca 0.05 2.49 0.00 0.00 0.71 0.00 0.00 52.55 55.79 3i2m s ASP 226 Cb 0.13 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.42 3i2m s ASP 226 CO 0.74 -0.37 0.00 0.61 0.21 0.00 0.00 175.17 176.36 3i2m n GLY 227 N 1.11 0.45 0.00 0.21 0.00 -1.26 -4.73 105.19 100.97 3i2m n GLY 227 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3i2m n GLY 227 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i2m n LEU 228 N 0.00 0.00 -4.32 0.99 7.94 -0.98 -5.06 117.00 115.58 3i2m n LEU 228 Ca 0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.72 3i2m n LEU 228 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 3i2m n LEU 228 CO 0.00 0.00 -0.44 -1.59 -1.11 0.00 0.00 177.39 174.25 3i2m s LYS 229 N -1.32 1.25 -0.22 1.96 0.00 -1.06 -4.61 119.74 115.75 3i2m s LYS 229 Ca 0.00 -1.52 -0.00 0.00 0.00 0.00 0.00 55.97 54.45 3i2m s LYS 229 Cb 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 37.83 36.87 3i2m s LYS 229 CO 0.00 0.17 -0.04 0.20 0.00 0.00 0.00 175.35 175.68 3i2m s GLY 230 N -3.16 1.14 0.43 0.59 0.00 -1.26 -4.89 107.32 100.17 3i2m s GLY 230 Ca 0.20 -1.16 0.17 0.00 0.00 0.00 0.00 44.72 43.92 3i2m s GLY 230 CO 0.05 1.00 1.93 0.50 0.00 0.00 0.00 173.10 176.59 3i2m h LYS 231 N 8.03 0.00 -6.61 2.90 1.57 -1.84 -3.47 116.57 117.14 3i2m h LYS 231 Ca -0.19 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.07 3i2m h LYS 231 Cb 1.09 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.32 3i2m h LYS 231 CO 0.40 0.25 -0.91 0.36 -0.57 0.00 0.00 179.45 178.98 3i2m n LYS 232 N -4.03 -2.64 0.00 3.15 -0.00 -1.26 -4.61 118.16 108.77 3i2m n LYS 232 Ca -0.02 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 3i2m n LYS 232 Cb 0.32 -4.26 0.00 0.00 -0.00 0.00 0.00 35.03 31.08 3i2m n LYS 232 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3i2m n SER 233 N -2.93 0.00 -4.26 -5.58 7.64 -1.26 -4.93 113.62 102.30 3i2m n SER 233 Ca -0.30 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.44 3i2m n SER 233 Cb 0.68 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.78 3i2m n SER 233 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i2m s VAL 234 N -0.94 0.96 -0.21 0.44 0.11 -1.26 -5.01 120.40 114.49 3i2m s VAL 234 Ca 0.00 -2.02 -0.08 0.00 -2.93 0.00 0.00 61.98 56.94 3i2m s VAL 234 Cb 0.00 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 3i2m s VAL 234 CO 0.00 -0.58 0.10 -1.81 -3.33 0.00 0.00 175.10 169.48 3i2m s ASP 235 N -3.19 5.75 0.25 3.54 -0.00 -1.26 -4.28 116.67 117.47 3i2m s ASP 235 Ca 0.21 0.06 0.09 0.00 -0.00 0.00 0.00 52.55 52.92 3i2m s ASP 235 Cb 0.05 -2.01 -0.04 0.00 -0.00 0.00 0.00 42.92 40.91 3i2m s ASP 235 CO 0.03 0.12 -0.03 -0.69 -0.00 0.00 0.00 175.17 174.59 3i2m s VAL 236 N 0.73 3.36 -0.02 -1.27 1.01 -1.26 -5.74 120.40 117.20 3i2m s VAL 236 Ca 0.05 -1.87 -0.30 0.00 0.00 0.00 0.00 61.98 59.85 3i2m s VAL 236 Cb -0.13 -2.76 0.12 0.00 0.00 0.00 0.00 36.38 33.61 3i2m s VAL 236 CO 0.02 -0.31 1.25 -0.83 0.00 0.00 0.00 175.10 175.23 3i2m s GLY 237 N -3.47 -0.39 -0.08 4.51 0.00 -1.17 -4.54 107.32 102.18 3i2m s GLY 237 Ca 0.30 0.74 0.03 0.00 0.00 0.00 0.00 44.72 45.79 3i2m s GLY 237 CO 0.19 0.15 -0.19 0.14 0.00 0.00 0.00 173.10 173.39 3i2m s VAL 238 N -2.50 1.64 -0.18 1.40 1.01 -0.55 -1.48 120.40 119.75 3i2m s VAL 238 Ca 0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3i2m s VAL 238 Cb 0.04 -1.44 0.08 0.00 0.00 0.00 0.00 36.38 35.05 3i2m s VAL 238 CO -0.04 0.47 0.17 -0.69 0.00 0.00 0.00 175.10 175.01 3i2m s VAL 239 N 0.40 -0.24 -0.04 2.92 1.01 -1.26 -1.51 120.40 121.68 3i2m s VAL 239 Ca -0.15 -0.07 0.21 0.00 0.00 0.00 0.00 61.98 61.97 3i2m s VAL 239 Cb -0.16 -0.60 -0.32 0.00 0.00 0.00 0.00 36.38 35.30 3i2m s VAL 239 CO 0.06 -0.19 0.43 1.41 0.00 0.00 0.00 175.10 176.81 3i2m n HIS 240 N 5.31 0.00 -3.78 5.22 8.25 -1.26 -4.92 115.22 124.03 3i2m n HIS 240 Ca -0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.28 3i2m n HIS 240 Cb 0.49 -0.52 -0.09 0.00 1.12 0.00 0.00 29.99 31.00 3i2m n HIS 240 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i2m s THR 241 N -3.38 0.07 0.79 1.59 2.01 -1.26 -5.07 115.64 110.39 3i2m s THR 241 Ca -0.08 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 3i2m s THR 241 Cb 0.13 -0.64 0.07 0.00 0.01 0.00 0.00 72.50 72.07 3i2m s THR 241 CO 0.87 -0.31 1.21 -1.81 -0.69 0.00 0.00 174.62 173.89 3i2m s ASP 242 N -1.47 3.74 0.02 3.53 1.11 -1.26 -4.81 116.67 117.53 3i2m s ASP 242 Ca -0.12 2.37 0.01 0.00 0.18 0.00 0.00 52.55 54.98 3i2m s ASP 242 Cb -0.05 -2.59 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 3i2m s ASP 242 CO 0.03 -2.57 -0.03 0.00 1.18 0.00 0.00 175.17 173.77 3i2m s ALA 243 N -2.10 0.20 -0.01 5.23 0.00 -0.91 -4.96 121.76 119.22 3i2m s ALA 243 Ca 0.74 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.25 3i2m s ALA 243 Cb -0.29 0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3i2m s ALA 243 CO 0.49 -0.07 -0.02 -1.17 0.00 0.00 0.00 175.76 174.99 3i2m s LEU 244 N -1.02 1.80 -0.02 0.00 2.96 -1.26 -0.26 118.68 120.86 3i2m s LEU 244 Ca -0.10 -0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 3i2m s LEU 244 Cb -0.07 -0.15 0.01 0.00 0.50 0.00 0.00 46.19 46.48 3i2m s LEU 244 CO -0.00 -0.00 0.18 -0.44 -1.32 0.00 0.00 176.35 174.76 3i2m s SER 245 N 0.21 -0.07 -0.24 3.68 0.01 0.10 -4.99 113.70 112.40 3i2m s SER 245 Ca -0.02 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.28 3i2m s SER 245 Cb -0.04 0.28 0.06 0.00 0.21 0.00 0.00 66.02 66.53 3i2m s SER 245 CO -0.01 -0.29 -0.09 -0.13 0.41 0.00 0.00 173.24 173.14 3i2m s ARG 246 N -0.92 1.98 0.24 12.44 0.52 -1.26 -0.30 118.95 131.65 3i2m s ARG 246 Ca -0.10 -1.13 0.07 0.00 -0.52 0.00 0.00 55.73 54.04 3i2m s ARG 246 Cb -0.05 -2.70 -0.05 0.00 0.52 0.00 0.00 34.95 32.66 3i2m s ARG 246 CO 0.02 -0.56 -0.09 0.14 0.02 0.00 0.00 175.30 174.83 3i2m s VAL 247 N 1.26 1.57 0.27 3.52 -7.23 -0.20 -1.18 120.40 118.43 3i2m s VAL 247 Ca -0.06 -2.14 -0.29 0.00 -1.81 0.00 0.00 61.98 57.67 3i2m s VAL 247 Cb -0.19 -2.25 -0.10 0.00 0.56 0.00 0.00 36.38 34.40 3i2m s VAL 247 CO -0.06 -0.44 1.29 -0.55 -0.31 0.00 0.00 175.10 175.03 3i2m s SER 248 N -3.36 6.87 0.10 4.85 0.15 -1.26 -0.53 113.70 120.52 3i2m s SER 248 Ca 0.26 2.54 -0.17 0.00 0.70 0.00 0.00 55.95 59.27 3i2m s SER 248 Cb 0.02 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.64 3i2m s SER 248 CO 0.09 -0.49 1.56 0.25 1.20 0.00 0.00 173.24 175.85 3i2m h LEU 249 N 4.22 0.49 -0.10 3.45 5.85 -1.69 -1.37 115.31 126.16 3i2m h LEU 249 Ca -0.47 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.00 3i2m h LEU 249 Cb 1.22 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3i2m h LEU 249 CO 0.70 0.65 -0.08 -0.33 -0.34 0.00 0.00 178.44 179.05 3i2m h GLU 250 N 0.32 -0.08 -0.54 1.25 5.08 -1.92 -0.47 114.58 118.22 3i2m h GLU 250 Ca 0.09 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3i2m h GLU 250 Cb 0.38 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3i2m h GLU 250 CO 0.01 -0.06 0.36 0.77 -1.00 0.00 0.00 179.01 179.10 3i2m h SER 251 N -0.09 0.50 -0.09 1.42 0.02 -1.73 -1.69 113.55 111.88 3i2m h SER 251 Ca 0.07 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 3i2m h SER 251 Cb 0.18 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.62 3i2m h SER 251 CO -0.16 0.34 -0.41 0.25 -1.14 0.00 0.00 176.83 175.71 3i2m h LEU 252 N 0.58 0.52 0.35 5.07 5.85 -0.43 -1.65 115.31 125.60 3i2m h LEU 252 Ca 0.23 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3i2m h LEU 252 Cb 0.17 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3i2m h LEU 252 CO -0.06 1.07 -0.17 0.40 -0.34 0.00 0.00 178.44 179.34 3i2m h ILE 253 N 0.00 0.66 -0.32 4.05 1.08 -0.85 -1.81 117.51 120.32 3i2m h ILE 253 Ca -0.03 -0.05 0.07 0.00 -0.39 0.00 0.00 64.86 64.47 3i2m h ILE 253 Cb 1.05 0.69 -0.08 0.00 -3.07 0.00 0.00 36.82 35.42 3i2m h ILE 253 CO 0.09 0.01 -0.26 0.00 -0.69 0.00 0.00 178.15 177.30 3i2m h ALA 254 N 0.16 -0.10 -0.93 1.87 0.00 -1.38 -1.22 119.26 117.65 3i2m h ALA 254 Ca -0.05 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3i2m h ALA 254 Cb 0.37 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 3i2m h ALA 254 CO 0.08 -0.66 0.60 0.00 0.00 0.00 0.00 179.25 179.27 3i2m h ALA 255 N 0.85 1.55 0.00 0.00 0.00 -1.05 -1.21 119.26 119.41 3i2m h ALA 255 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i2m h ALA 255 Cb 0.48 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i2m h ALA 255 CO -0.45 0.27 0.00 -0.07 0.00 0.00 0.00 179.25 179.00 3i2m h LEU 256 N 0.98 0.00 -1.61 0.00 3.38 -0.49 -2.04 115.31 115.53 3i2m h LEU 256 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3i2m h LEU 256 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i2m h LEU 256 CO -0.19 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.20 3i2m n ARG 257 N -2.99 1.97 0.00 1.13 0.63 -0.46 -3.81 116.66 113.14 3i2m n ARG 257 Ca 0.03 -0.80 0.00 0.00 -0.92 0.00 0.00 57.85 56.16 3i2m n ARG 257 Cb 0.42 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.66 3i2m n ARG 257 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i2m s LYS 260 N 0.00 2.56 -0.43 0.00 -2.85 -1.25 -2.83 119.74 114.94 3i2m s LYS 260 Ca 0.00 -2.70 -0.13 0.00 -1.00 0.00 0.00 55.97 52.14 3i2m s LYS 260 Cb 0.00 -3.68 0.06 0.00 -2.06 0.00 0.00 37.83 32.15 3i2m s LYS 260 CO 0.00 -1.18 0.31 0.08 0.10 0.00 0.00 175.35 174.66 3i2m s VAL 261 N -0.37 4.87 -0.48 1.79 1.01 -0.51 -4.94 120.40 121.77 3i2m s VAL 261 Ca 0.19 -1.04 -0.43 0.00 0.00 0.00 0.00 61.98 60.70 3i2m s VAL 261 Cb -0.19 -3.86 -0.18 0.00 0.00 0.00 0.00 36.38 32.15 3i2m s VAL 261 CO -0.05 -0.45 2.05 -2.65 0.00 0.00 0.00 175.10 174.00 3i2m n PRO 262 N 5.09 0.16 -1.04 2.72 -0.02 -1.26 0.52 135.00 141.17 3i2m n PRO 262 Ca -0.12 0.05 -0.01 0.00 -2.02 0.00 0.00 63.50 61.40 3i2m n PRO 262 Cb 0.44 -1.63 -0.01 0.00 -0.02 0.00 0.00 33.50 32.29 3i2m n PRO 262 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2m n GLY 263 N 6.72 0.50 1.94 -1.23 0.00 -1.26 -4.87 105.19 106.99 3i2m n GLY 263 Ca 0.49 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3i2m n GLY 263 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i2m n TRP 264 N -2.94 -1.15 -4.11 1.61 7.02 0.18 -4.76 117.44 113.28 3i2m n TRP 264 Ca -0.01 0.20 -0.11 0.00 -1.02 0.00 0.00 57.50 56.56 3i2m n TRP 264 Cb 0.05 0.51 -0.11 0.00 -2.42 0.00 0.00 31.31 29.35 3i2m n TRP 264 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3i2m s PHE 265 N -2.00 0.74 -0.01 -5.99 0.08 -0.67 -2.16 117.98 107.97 3i2m s PHE 265 Ca 0.00 -0.78 0.02 0.00 0.12 0.00 0.00 56.93 56.29 3i2m s PHE 265 Cb 0.00 -0.45 0.00 0.00 -0.57 0.00 0.00 43.02 42.01 3i2m s PHE 265 CO 0.00 -0.16 -0.05 -0.08 -0.10 0.00 0.00 175.22 174.83 3i2m s THR 266 N -2.81 0.45 0.46 0.64 -1.32 -0.01 -1.42 115.64 111.62 3i2m s THR 266 Ca 0.03 -0.21 -0.24 0.00 -1.21 0.00 0.00 61.69 60.05 3i2m s THR 266 Cb -0.00 -0.40 -0.07 0.00 -1.51 0.00 0.00 72.50 70.51 3i2m s THR 266 CO -0.03 0.14 1.33 -2.84 -2.21 0.00 0.00 174.62 171.01 3i2m s PRO 267 N 0.08 3.67 -0.00 7.08 0.02 -1.13 0.80 135.00 145.52 3i2m s PRO 267 Ca -0.01 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3i2m s PRO 267 Cb -0.05 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.91 3i2m s PRO 267 CO -0.00 -0.75 0.00 0.20 -0.33 0.00 0.00 177.00 176.12 3i2m s GLY 268 N -0.82 0.02 -0.09 0.52 0.00 -0.04 -4.30 107.32 102.61 3i2m s GLY 268 Ca 0.62 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 45.37 3i2m s GLY 268 CO 0.49 0.07 -0.05 1.08 0.00 0.00 0.00 173.10 174.68 3i2m s LEU 269 N 0.12 3.24 -0.03 0.66 1.43 -0.54 -0.40 118.68 123.16 3i2m s LEU 269 Ca -0.01 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 3i2m s LEU 269 Cb -0.01 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3i2m s LEU 269 CO -0.00 0.32 -0.07 -0.63 0.23 0.00 0.00 176.35 176.20 3i2m s ILE 270 N -0.56 0.63 -0.44 -0.59 1.01 -0.22 -0.77 121.20 120.26 3i2m s ILE 270 Ca 0.09 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 3i2m s ILE 270 Cb -0.12 -0.60 0.07 0.00 0.01 0.00 0.00 42.46 41.82 3i2m s ILE 270 CO 0.02 0.22 0.32 0.26 0.00 0.00 0.00 174.94 175.76 3i2m s TRP 271 N 0.52 3.29 0.66 3.97 0.51 -0.44 -0.64 118.94 126.80 3i2m s TRP 271 Ca -0.07 -1.20 -0.12 0.00 -2.12 0.00 0.00 56.10 52.59 3i2m s TRP 271 Cb -0.11 -3.02 -0.01 0.00 -0.81 0.00 0.00 33.47 29.52 3i2m s TRP 271 CO 0.00 -0.81 1.05 -1.01 -0.51 0.00 0.00 176.95 175.68 3i2m s HIS 272 N 1.54 3.13 0.61 -1.98 3.76 -0.50 -4.16 115.29 117.69 3i2m s HIS 272 Ca 0.03 1.44 0.28 0.00 -0.15 0.00 0.00 55.06 56.66 3i2m s HIS 272 Cb -0.23 -2.89 1.41 0.00 1.11 0.00 0.00 32.58 31.98 3i2m s HIS 272 CO 0.05 -1.13 1.82 1.03 -0.85 0.00 0.00 174.74 175.66 3i2m h SER 273 N -0.36 0.00 0.00 1.40 0.87 -1.87 -3.36 113.55 110.23 3i2m h SER 273 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3i2m h SER 273 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3i2m h SER 273 CO 0.57 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 177.46 3i2m n ASN 274 N -3.44 0.00 0.00 6.23 3.02 -1.26 -4.97 115.26 114.83 3i2m n ASN 274 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 3i2m n ASN 274 Cb 0.68 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 3i2m n ASN 274 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i2m n GLU 275 N 0.00 0.00 -2.82 3.52 -0.58 -1.26 -5.09 120.64 114.41 3i2m n GLU 275 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 3i2m n GLU 275 Cb 0.00 -0.38 -0.03 0.00 -0.57 0.00 0.00 31.44 30.45 3i2m n GLU 275 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i2m s ILE 276 N 0.00 4.87 -0.30 -3.67 1.01 -1.26 -4.30 121.20 117.55 3i2m s ILE 276 Ca 0.00 1.81 -0.11 0.00 0.00 0.00 0.00 60.65 62.34 3i2m s ILE 276 Cb 0.00 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 3i2m s ILE 276 CO 0.00 0.07 0.20 -0.22 0.00 0.00 0.00 174.94 174.98 3i2m s LEU 277 N 1.77 4.17 -0.21 2.97 2.96 -0.97 -1.41 118.68 127.95 3i2m s LEU 277 Ca 0.43 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 54.04 3i2m s LEU 277 Cb -0.18 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3i2m s LEU 277 CO 0.17 -0.13 0.07 -0.70 -1.32 0.00 0.00 176.35 174.44 3i2m s GLU 278 N 1.72 3.85 -0.24 1.98 2.12 0.18 -0.05 118.70 128.27 3i2m s GLU 278 Ca 0.06 -0.39 -0.10 0.00 0.36 0.00 0.00 54.97 54.90 3i2m s GLU 278 Cb -0.17 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3i2m s GLU 278 CO 0.10 0.07 0.14 0.08 -0.54 0.00 0.00 175.26 175.11 3i2m s VAL 279 N 0.93 5.16 0.02 3.70 1.01 -0.50 -1.05 120.40 129.67 3i2m s VAL 279 Ca 0.04 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.19 3i2m s VAL 279 Cb -0.14 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 3i2m s VAL 279 CO 0.03 0.34 -0.18 -0.70 0.00 0.00 0.00 175.10 174.59 3i2m s GLU 280 N 1.17 1.26 -0.10 2.72 2.12 0.47 -0.85 118.70 125.49 3i2m s GLU 280 Ca 0.07 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 3i2m s GLU 280 Cb -0.14 -1.29 -0.02 0.00 0.26 0.00 0.00 34.13 32.94 3i2m s GLU 280 CO 0.05 0.34 1.12 0.20 -0.54 0.00 0.00 175.26 176.43 3i2m s GLY 281 N -0.92 2.13 -0.21 -1.50 0.00 -0.27 -0.87 107.32 105.67 3i2m s GLY 281 Ca 0.06 0.48 -0.06 0.00 0.00 0.00 0.00 44.72 45.20 3i2m s GLY 281 CO 0.01 2.13 0.03 0.14 0.00 0.00 0.00 173.10 175.41 3i2m s VAL 282 N 2.32 4.19 0.04 1.40 1.01 0.24 -4.67 120.40 124.92 3i2m s VAL 282 Ca 0.52 -0.23 -0.33 0.00 0.00 0.00 0.00 61.98 61.95 3i2m s VAL 282 Cb -0.21 -2.91 -0.11 0.00 0.00 0.00 0.00 36.38 33.14 3i2m s VAL 282 CO 0.19 0.41 1.83 -2.65 0.00 0.00 0.00 175.10 174.87 3i2m n PRO 283 N 4.33 2.45 0.00 2.72 -0.02 -1.26 -0.83 135.00 142.39 3i2m n PRO 283 Ca -0.17 0.89 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 3i2m n PRO 283 Cb 0.52 -2.76 0.08 0.00 -0.02 0.00 0.00 33.50 31.32 3i2m n PRO 283 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i2m n THR 284 N 4.76 0.00 -4.12 3.45 -2.24 -0.92 -4.94 114.28 110.27 3i2m n THR 284 Ca 0.20 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.81 3i2m n THR 284 Cb 0.33 0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 3i2m n THR 284 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2m n GLY 285 N 1.46 3.35 0.09 3.38 0.00 -1.26 -5.01 105.19 107.20 3i2m n GLY 285 Ca 0.07 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 3i2m n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i2m h GLN 287 N 0.00 0.09 -1.14 0.00 3.07 -1.98 -3.09 115.11 112.06 3i2m h GLN 287 Ca -0.27 -0.01 -0.38 0.00 0.09 0.00 0.00 58.65 58.08 3i2m h GLN 287 Cb 1.82 -0.02 -0.20 0.00 0.08 0.00 0.00 27.48 29.16 3i2m h GLN 287 CO 0.05 0.06 0.49 -1.13 0.09 0.00 0.00 178.83 178.39 3i2m n SER 288 N -4.30 4.91 -0.06 0.06 3.41 -1.26 -4.69 113.62 111.68 3i2m n SER 288 Ca 0.29 -3.16 -0.10 0.00 -0.26 0.00 0.00 58.87 55.64 3i2m n SER 288 Cb 1.29 -0.85 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 3i2m n SER 288 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3i2m h GLY 289 N 2.17 0.32 -0.91 5.00 0.00 -1.88 -2.99 103.07 104.79 3i2m h GLY 289 Ca 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3i2m h GLY 289 CO 0.86 0.14 0.00 1.22 0.00 0.00 0.00 176.54 178.76 3i2m n ASP 290 N -4.88 1.25 -4.08 0.19 8.00 -1.26 -4.86 116.55 110.91 3i2m n ASP 290 Ca -0.03 -2.06 -0.23 0.00 0.71 0.00 0.00 54.79 53.17 3i2m n ASP 290 Cb 0.08 -0.24 -0.16 0.00 -0.02 0.00 0.00 41.12 40.78 3i2m n ASP 290 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i2m s VAL 291 N -1.66 1.14 -0.05 2.53 1.01 -1.13 -1.42 120.40 120.82 3i2m s VAL 291 Ca 0.12 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3i2m s VAL 291 Cb 0.07 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.47 3i2m s VAL 291 CO 0.06 0.34 -0.11 -0.54 0.00 0.00 0.00 175.10 174.85 3i2m s LYS 292 N 0.02 1.36 -0.04 2.72 1.02 -0.80 -4.99 119.74 119.03 3i2m s LYS 292 Ca -0.02 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.62 3i2m s LYS 292 Cb -0.09 -1.19 0.01 0.00 -0.52 0.00 0.00 37.83 36.04 3i2m s LYS 292 CO 0.01 0.08 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.27 3i2m s LEU 293 N 0.43 1.61 0.15 3.17 2.96 -1.26 -1.40 118.68 124.34 3i2m s LEU 293 Ca -0.09 -0.19 -0.25 0.00 -0.22 0.00 0.00 54.13 53.38 3i2m s LEU 293 Cb -0.12 -0.58 0.07 0.00 0.50 0.00 0.00 46.19 46.05 3i2m s LEU 293 CO 0.02 0.02 0.98 -0.94 -1.32 0.00 0.00 176.35 175.11 3i2m s SER 294 N 0.52 -0.16 -0.02 3.68 1.04 -0.97 -1.12 113.70 116.67 3i2m s SER 294 Ca -0.09 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 55.94 3i2m s SER 294 Cb -0.12 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.49 3i2m s SER 294 CO 0.01 -0.89 -0.03 -0.69 0.98 0.00 0.00 173.24 172.62 3i2m s VAL 295 N -3.18 0.34 -0.16 5.02 1.01 -0.03 -0.92 120.40 122.47 3i2m s VAL 295 Ca 0.13 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 3i2m s VAL 295 Cb -0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3i2m s VAL 295 CO 0.02 0.15 0.22 -0.76 0.00 0.00 0.00 175.10 174.74 3i2m s LEU 296 N 0.56 4.26 -0.21 3.92 1.43 -0.01 -1.40 118.68 127.23 3i2m s LEU 296 Ca -0.06 0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 3i2m s LEU 296 Cb -0.10 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3i2m s LEU 296 CO -0.01 0.18 0.06 -0.76 0.23 0.00 0.00 176.35 176.05 3i2m s LEU 297 N 0.18 3.64 0.39 1.79 1.43 0.93 -1.32 118.68 125.72 3i2m s LEU 297 Ca 0.14 -0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 3i2m s LEU 297 Cb -0.12 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 3i2m s LEU 297 CO 0.02 0.08 0.84 -0.76 0.23 0.00 0.00 176.35 176.76 3i2m s LEU 298 N 0.92 3.93 0.35 1.79 1.43 -0.33 -2.30 118.68 124.47 3i2m s LEU 298 Ca 0.04 1.42 -0.26 0.00 -1.03 0.00 0.00 54.13 54.29 3i2m s LEU 298 Cb -0.14 -4.26 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 3i2m s LEU 298 CO 0.03 -0.33 1.09 -0.70 0.23 0.00 0.00 176.35 176.66 3i2m s GLU 299 N -3.32 4.34 0.00 1.70 -6.30 -1.26 -4.44 118.70 109.42 3i2m s GLU 299 Ca 0.57 1.68 0.13 0.00 -2.50 0.00 0.00 54.97 54.85 3i2m s GLU 299 Cb -0.10 -2.83 0.10 0.00 0.00 0.00 0.00 34.13 31.31 3i2m s GLU 299 CO 0.20 -0.03 0.92 0.28 0.02 0.00 0.00 175.26 176.65