#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3h s ASP 2 N 0.00 1.83 -0.20 0.00 1.01 -1.26 -5.04 116.67 113.02 1i3h s ASP 2 Ca 0.00 1.81 -0.02 0.00 0.71 0.00 0.00 52.55 55.04 1i3h s ASP 2 Cb 0.00 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 1i3h s ASP 2 CO 0.00 -3.72 -0.08 -0.89 0.21 0.00 0.00 175.17 170.69 1i3h s THR 3 N -2.55 3.13 -0.06 -1.27 2.01 -1.26 -5.03 115.64 110.62 1i3h s THR 3 Ca 0.68 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 62.13 1i3h s THR 3 Cb -0.24 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 69.88 1i3h s THR 3 CO 0.62 0.46 -0.16 -0.63 -0.69 0.00 0.00 174.62 174.22 1i3h s ILE 4 N 1.20 1.39 -0.07 1.82 -1.09 -1.26 -3.06 121.20 120.13 1i3h s ILE 4 Ca 0.02 -0.67 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 1i3h s ILE 4 Cb -0.14 -1.21 -0.01 0.00 -1.58 0.00 0.00 42.46 39.51 1i3h s ILE 4 CO -0.03 0.41 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.19 1i3h s VAL 5 N 0.27 2.45 0.05 2.92 1.01 -0.58 -0.95 120.40 125.57 1i3h s VAL 5 Ca -0.09 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 1i3h s VAL 5 Cb -0.13 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1i3h s VAL 5 CO 0.03 0.57 0.32 0.00 0.00 0.00 0.00 175.10 176.02 1i3h s ALA 6 N -0.17 -0.73 -0.26 5.51 0.00 -0.23 -0.63 121.76 125.25 1i3h s ALA 6 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.90 1i3h s ALA 6 Cb -0.14 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 1i3h s ALA 6 CO 0.04 -0.45 0.03 0.08 0.00 0.00 0.00 175.76 175.46 1i3h s VAL 7 N -2.73 3.73 -0.10 0.00 1.01 -0.09 -0.57 120.40 121.65 1i3h s VAL 7 Ca -0.04 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1i3h s VAL 7 Cb -0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1i3h s VAL 7 CO -0.04 0.24 0.21 -1.83 0.00 0.00 0.00 175.10 173.67 1i3h s GLU 8 N 1.49 3.69 -0.70 2.72 -1.05 -0.13 -1.58 118.70 123.15 1i3h s GLU 8 Ca 0.04 0.00 -0.07 0.00 -0.15 0.00 0.00 54.97 54.79 1i3h s GLU 8 Cb -0.16 -3.24 0.18 0.00 -0.44 0.00 0.00 34.13 30.47 1i3h s GLU 8 CO 0.00 0.67 0.56 -0.51 0.95 0.00 0.00 175.26 176.93 1i3h s LEU 9 N -0.78 5.76 -0.46 1.83 1.02 0.94 -1.16 118.68 125.83 1i3h s LEU 9 Ca 0.16 -2.82 -0.16 0.00 0.02 0.00 0.00 54.13 51.34 1i3h s LEU 9 Cb -0.13 -1.98 0.06 0.00 0.02 0.00 0.00 46.19 44.16 1i3h s LEU 9 CO 0.05 -0.43 0.41 -0.62 0.02 0.00 0.00 176.35 175.78 1i3h s ASP 10 N 1.16 6.15 0.35 2.29 -1.08 0.11 -1.72 116.67 123.94 1i3h s ASP 10 Ca 0.17 -1.18 0.24 0.00 -0.52 0.00 0.00 52.55 51.26 1i3h s ASP 10 Cb -0.17 -2.19 0.46 0.00 -1.46 0.00 0.00 42.92 39.56 1i3h s ASP 10 CO -0.05 -0.64 1.62 0.71 0.52 0.00 0.00 175.17 177.33 1i3h h THR 11 N 5.75 0.00 -3.20 1.71 1.35 -1.69 -1.00 112.91 115.83 1i3h h THR 11 Ca -0.28 -0.83 -0.62 0.00 -0.55 0.00 0.00 66.41 64.13 1i3h h THR 11 Cb 1.11 1.80 -0.35 0.00 -1.73 0.00 0.00 68.15 68.98 1i3h h THR 11 CO 0.86 0.00 -0.85 -0.47 -0.25 0.00 0.00 175.52 174.82 1i3h s TYR 12 N -3.18 2.26 -0.63 4.73 5.04 -1.25 -4.43 117.35 119.89 1i3h s TYR 12 Ca 0.08 -1.16 -0.28 0.00 -2.44 0.00 0.00 57.07 53.27 1i3h s TYR 12 Cb 0.08 -1.60 0.02 0.00 0.35 0.00 0.00 41.96 40.80 1i3h s TYR 12 CO 0.66 -0.59 1.32 -1.25 -1.34 0.00 0.00 175.55 174.35 1i3h s PRO 13 N 1.09 3.30 -1.08 4.97 0.04 -1.26 -4.93 135.00 137.13 1i3h s PRO 13 Ca -0.03 0.18 -0.13 0.00 0.04 0.00 0.00 61.00 61.07 1i3h s PRO 13 Cb -0.14 -4.12 0.22 0.00 0.04 0.00 0.00 34.50 30.49 1i3h s PRO 13 CO -0.05 -1.96 1.18 -0.80 0.04 0.00 0.00 177.00 175.41 1i3h s ASN 14 N 3.93 7.08 0.55 6.66 -0.87 -1.26 -4.86 114.94 126.16 1i3h s ASN 14 Ca 0.45 -3.08 0.33 0.00 -1.57 0.00 0.00 52.86 48.99 1i3h s ASN 14 Cb -0.09 -2.30 1.45 0.00 -0.02 0.00 0.00 41.25 40.29 1i3h s ASN 14 CO 0.22 -0.58 2.02 0.71 -2.57 0.00 0.00 177.10 176.90 1i3h h THR 15 N 4.43 0.12 0.00 1.60 1.35 -1.86 -1.96 112.91 116.59 1i3h h THR 15 Ca 0.21 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1i3h h THR 15 Cb 0.92 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1i3h h THR 15 CO 1.07 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 175.48 1i3h n ASP 16 N -3.18 0.00 -0.68 5.36 5.75 -1.26 -2.07 116.55 120.47 1i3h n ASP 16 Ca -0.00 0.38 0.06 0.00 -0.01 0.00 0.00 54.79 55.22 1i3h n ASP 16 Cb 0.29 -0.45 0.17 0.00 -1.03 0.00 0.00 41.12 40.10 1i3h n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1i3h n ILE 17 N -1.45 1.83 -0.50 2.12 -5.35 -0.78 -5.00 119.36 110.24 1i3h n ILE 17 Ca 0.06 -2.79 0.00 0.00 -0.27 0.00 0.00 62.75 59.74 1i3h n ILE 17 Cb 0.21 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 1i3h n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i3h n GLY 18 N -0.90 0.75 3.76 3.28 0.00 -0.88 -4.78 105.19 106.42 1i3h n GLY 18 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1i3h n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3h s ASP 19 N -2.84 5.33 1.02 1.61 1.01 -0.94 -4.94 116.67 116.93 1i3h s ASP 19 Ca 0.00 2.33 -0.12 0.00 0.71 0.00 0.00 52.55 55.47 1i3h s ASP 19 Cb 0.00 -2.59 0.20 0.00 1.01 0.00 0.00 42.92 41.54 1i3h s ASP 19 CO 0.00 -1.49 1.08 -2.16 0.21 0.00 0.00 175.17 172.81 1i3h s PRO 20 N -3.32 0.25 -0.06 8.23 0.04 -1.26 -4.33 135.00 134.55 1i3h s PRO 20 Ca 0.76 0.62 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1i3h s PRO 20 Cb -0.29 -1.71 0.09 0.00 0.04 0.00 0.00 34.50 32.64 1i3h s PRO 20 CO 0.31 -2.88 1.11 -1.13 0.04 0.00 0.00 177.00 174.45 1i3h n SER 21 N -4.29 3.04 -3.66 6.66 3.41 -1.26 -4.59 113.62 112.92 1i3h n SER 21 Ca 0.05 -2.22 -0.11 0.00 -0.26 0.00 0.00 58.87 56.33 1i3h n SER 21 Cb 0.56 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 1i3h n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1i3h s TYR 22 N -0.49 -0.19 0.49 7.33 -0.85 -1.26 -4.97 117.35 117.40 1i3h s TYR 22 Ca 0.08 -0.06 -0.23 0.00 -0.52 0.00 0.00 57.07 56.34 1i3h s TYR 22 Cb 0.07 0.22 -0.08 0.00 0.38 0.00 0.00 41.96 42.54 1i3h s TYR 22 CO 0.02 -0.65 1.09 -2.30 -1.52 0.00 0.00 175.55 172.18 1i3h n PRO 23 N -0.00 1.38 -3.53 -3.49 -0.02 -1.26 -4.64 135.00 123.45 1i3h n PRO 23 Ca -0.17 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.69 1i3h n PRO 23 Cb 0.62 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.86 1i3h n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1i3h s HIS 24 N -1.33 -0.43 0.13 6.00 -3.43 -0.38 -1.39 115.29 114.45 1i3h s HIS 24 Ca 0.67 0.32 0.03 0.00 -0.80 0.00 0.00 55.06 55.28 1i3h s HIS 24 Cb -0.49 0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 31.03 1i3h s HIS 24 CO 0.54 -0.73 0.15 0.96 -2.00 0.00 0.00 174.74 173.65 1i3h s ILE 25 N -3.20 4.73 0.06 -5.38 -4.36 -0.02 -0.71 121.20 112.32 1i3h s ILE 25 Ca -0.01 -0.85 -0.17 0.00 -0.26 0.00 0.00 60.65 59.35 1i3h s ILE 25 Cb -0.00 -3.37 0.04 0.00 1.25 0.00 0.00 42.46 40.37 1i3h s ILE 25 CO -0.08 -0.01 0.41 -0.83 0.24 0.00 0.00 174.94 174.67 1i3h s GLY 26 N -2.85 -0.27 -0.22 6.27 0.00 -0.31 -1.04 107.32 108.90 1i3h s GLY 26 Ca 0.31 0.23 -0.06 0.00 0.00 0.00 0.00 44.72 45.20 1i3h s GLY 26 CO 0.24 -0.03 0.02 -0.42 0.00 0.00 0.00 173.10 172.91 1i3h s ILE 27 N -2.74 4.08 -0.26 0.90 1.01 -0.55 -0.95 121.20 122.70 1i3h s ILE 27 Ca -0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1i3h s ILE 27 Cb -0.00 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.61 1i3h s ILE 27 CO -0.04 0.40 -0.01 -1.81 0.00 0.00 0.00 174.94 173.48 1i3h s ASP 28 N 1.18 4.59 -0.42 3.58 1.01 0.26 -0.31 116.67 126.56 1i3h s ASP 28 Ca 0.03 -0.67 0.01 0.00 0.71 0.00 0.00 52.55 52.63 1i3h s ASP 28 Cb -0.14 -1.76 0.12 0.00 1.01 0.00 0.00 42.92 42.14 1i3h s ASP 28 CO 0.02 -0.12 0.18 -0.63 0.21 0.00 0.00 175.17 174.83 1i3h s ILE 29 N 1.43 2.86 -1.39 0.77 -1.09 -1.26 -1.06 121.20 121.45 1i3h s ILE 29 Ca 0.03 -2.45 0.00 0.00 -2.23 0.00 0.00 60.65 55.99 1i3h s ILE 29 Cb -0.16 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1i3h s ILE 29 CO -0.02 -0.69 0.00 0.29 -1.23 0.00 0.00 174.94 173.29 1i3h n LYS 30 N 4.12 -1.22 -3.57 2.79 5.02 -0.12 -4.93 118.16 120.25 1i3h n LYS 30 Ca 0.02 0.94 -0.16 0.00 -2.02 0.00 0.00 58.31 57.09 1i3h n LYS 30 Cb 0.40 -5.13 -0.06 0.00 -0.02 0.00 0.00 35.03 30.22 1i3h n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1i3h s SER 31 N -2.66 -0.66 0.54 4.39 0.15 -1.26 -4.97 113.70 109.23 1i3h s SER 31 Ca 0.00 0.94 0.32 0.00 0.70 0.00 0.00 55.95 57.92 1i3h s SER 31 Cb 0.00 0.84 1.36 0.00 -1.71 0.00 0.00 66.02 66.51 1i3h s SER 31 CO 0.00 -0.45 1.98 1.62 1.20 0.00 0.00 173.24 177.59 1i3h h VAL 32 N 3.32 0.12 -1.89 4.45 3.04 -1.88 -3.40 116.25 120.02 1i3h h VAL 32 Ca -0.27 -0.58 -0.54 0.00 -1.01 0.00 0.00 66.70 64.29 1i3h h VAL 32 Cb 1.15 1.52 -0.08 0.00 -2.01 0.00 0.00 31.29 31.87 1i3h h VAL 32 CO 0.26 0.04 1.20 -0.13 -1.01 0.00 0.00 177.57 177.93 1i3h s ARG 33 N -3.72 3.24 0.40 4.17 0.52 -1.26 -4.95 118.95 117.35 1i3h s ARG 33 Ca 0.01 -0.44 -0.26 0.00 -0.52 0.00 0.00 55.73 54.52 1i3h s ARG 33 Cb 0.10 -4.59 -0.10 0.00 0.52 0.00 0.00 34.95 30.87 1i3h s ARG 33 CO 0.55 -2.27 1.19 0.43 0.02 0.00 0.00 175.30 175.23 1i3h n SER 34 N 9.70 2.19 0.18 0.23 7.64 -1.26 -4.82 113.62 127.46 1i3h n SER 34 Ca 0.15 1.11 0.04 0.00 1.01 0.00 0.00 58.87 61.17 1i3h n SER 34 Cb 0.50 -1.45 0.31 0.00 -1.01 0.00 0.00 64.21 62.56 1i3h n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1i3h h LYS 35 N 2.00 0.00 -2.90 1.43 1.79 -1.00 -3.45 116.57 114.44 1i3h h LYS 35 Ca -0.46 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.88 1i3h h LYS 35 Cb 1.31 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.73 1i3h h LYS 35 CO 0.59 0.43 -0.27 0.21 -1.08 0.00 0.00 179.45 179.33 1i3h s LYS 36 N -3.66 0.52 0.19 3.15 2.47 -1.24 -5.01 119.74 116.16 1i3h s LYS 36 Ca -0.01 0.26 0.02 0.00 -1.56 0.00 0.00 55.97 54.68 1i3h s LYS 36 Cb 0.12 0.24 -0.05 0.00 -1.46 0.00 0.00 37.83 36.68 1i3h s LYS 36 CO 0.70 -0.10 0.01 0.95 0.16 0.00 0.00 175.35 177.07 1i3h s THR 37 N -0.37 0.74 -0.03 3.43 -4.23 -1.26 -1.47 115.64 112.45 1i3h s THR 37 Ca -0.05 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.40 1i3h s THR 37 Cb -0.03 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.63 1i3h s THR 37 CO 0.02 -0.42 0.15 0.00 -0.54 0.00 0.00 174.62 173.83 1i3h s ALA 38 N -3.61 -0.37 0.33 3.99 0.00 -0.20 -4.98 121.76 116.91 1i3h s ALA 38 Ca 0.26 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 1i3h s ALA 38 Cb 0.06 -0.08 -0.12 0.00 0.00 0.00 0.00 23.12 22.98 1i3h s ALA 38 CO 0.05 -0.14 1.51 1.17 0.00 0.00 0.00 175.76 178.35 1i3h n LYS 39 N 2.22 2.58 -3.83 0.00 4.81 -1.26 -0.84 118.16 121.84 1i3h n LYS 39 Ca -0.18 0.91 -0.26 0.00 -0.87 0.00 0.00 58.31 57.92 1i3h n LYS 39 Cb 0.57 -2.64 -0.17 0.00 0.02 0.00 0.00 35.03 32.81 1i3h n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1i3h s TRP 40 N -0.54 1.17 -1.26 5.64 -0.00 -0.48 -4.74 118.94 118.73 1i3h s TRP 40 Ca 0.59 -0.62 -0.14 0.00 -0.00 0.00 0.00 56.10 55.94 1i3h s TRP 40 Cb -0.51 -1.06 0.14 0.00 -0.00 0.00 0.00 33.47 32.04 1i3h s TRP 40 CO 0.56 -0.48 1.63 0.09 -0.00 0.00 0.00 176.95 178.75 1i3h n ASN 41 N 5.02 5.06 -4.76 5.86 3.02 -1.26 -4.30 115.26 123.90 1i3h n ASN 41 Ca -0.10 -2.99 -0.41 0.00 -0.03 0.00 0.00 54.58 51.05 1i3h n ASN 41 Cb 0.49 -1.59 -0.01 0.00 -0.61 0.00 0.00 39.78 38.06 1i3h n ASN 41 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1i3h s MET 42 N 1.90 4.13 -0.37 3.52 -2.45 -1.26 -4.97 119.30 119.80 1i3h s MET 42 Ca 0.44 2.55 -0.06 0.00 -1.25 0.00 0.00 55.69 57.38 1i3h s MET 42 Cb 0.02 -3.01 0.06 0.00 1.25 0.00 0.00 34.83 33.15 1i3h s MET 42 CO 0.01 -0.58 0.15 -0.65 1.05 0.00 0.00 175.02 175.00 1i3h s GLN 43 N -1.04 2.47 0.06 4.11 -0.21 -1.26 -5.05 119.66 118.73 1i3h s GLN 43 Ca 0.59 -1.39 -0.31 0.00 0.02 0.00 0.00 55.36 54.28 1i3h s GLN 43 Cb -0.47 -3.52 -0.10 0.00 1.00 0.00 0.00 33.01 29.92 1i3h s GLN 43 CO 0.53 -0.81 1.93 -1.71 -2.12 0.00 0.00 175.29 173.10 1i3h n ASN 44 N 4.77 4.08 0.00 5.90 2.85 -1.26 -2.18 115.26 129.42 1i3h n ASN 44 Ca -0.10 0.93 0.00 0.00 -0.11 0.00 0.00 54.58 55.30 1i3h n ASN 44 Cb 0.43 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 39.93 1i3h n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1i3h n GLY 45 N 4.44 0.78 3.85 8.20 0.00 0.13 -4.97 105.19 117.62 1i3h n GLY 45 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1i3h n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3h s LYS 46 N -0.45 3.06 -0.24 1.61 -0.14 -0.92 -4.95 119.74 117.71 1i3h s LYS 46 Ca 0.00 -0.85 -0.22 0.00 -1.36 0.00 0.00 55.97 53.54 1i3h s LYS 46 Cb 0.00 -2.71 -0.02 0.00 -1.68 0.00 0.00 37.83 33.42 1i3h s LYS 46 CO 0.00 0.47 0.70 0.08 -0.76 0.00 0.00 175.35 175.84 1i3h s VAL 47 N -1.85 4.94 0.32 3.17 1.01 -1.26 -4.21 120.40 122.51 1i3h s VAL 47 Ca 0.32 1.30 0.07 0.00 0.00 0.00 0.00 61.98 63.67 1i3h s VAL 47 Cb -0.10 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1i3h s VAL 47 CO 0.25 0.01 0.31 -0.83 0.00 0.00 0.00 175.10 174.84 1i3h s GLY 48 N 1.38 1.66 -0.05 4.51 0.00 -0.06 -4.60 107.32 110.16 1i3h s GLY 48 Ca 0.30 -1.56 0.03 0.00 0.00 0.00 0.00 44.72 43.49 1i3h s GLY 48 CO 0.08 -1.51 -0.14 -1.59 0.00 0.00 0.00 173.10 169.94 1i3h s THR 49 N -2.24 1.26 -0.05 0.90 2.01 -0.17 -1.24 115.64 116.11 1i3h s THR 49 Ca 0.40 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.85 1i3h s THR 49 Cb -0.07 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 1i3h s THR 49 CO 0.27 0.37 -0.18 0.00 -0.69 0.00 0.00 174.62 174.39 1i3h s ALA 50 N 0.31 2.48 -0.05 7.40 0.00 -0.06 -0.68 121.76 131.16 1i3h s ALA 50 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1i3h s ALA 50 Cb -0.13 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.16 1i3h s ALA 50 CO 0.03 0.50 -0.02 -1.58 0.00 0.00 0.00 175.76 174.69 1i3h s HIS 51 N -0.52 0.61 -0.06 0.00 5.04 0.05 -1.47 115.29 118.95 1i3h s HIS 51 Ca 0.07 -0.14 0.05 0.00 -1.54 0.00 0.00 55.06 53.50 1i3h s HIS 51 Cb -0.11 -0.64 -0.01 0.00 0.04 0.00 0.00 32.58 31.86 1i3h s HIS 51 CO 0.01 -0.22 -0.22 0.42 -2.34 0.00 0.00 174.74 172.40 1i3h s ILE 52 N 1.28 1.80 0.04 0.89 1.09 0.28 -0.97 121.20 125.61 1i3h s ILE 52 Ca -0.06 -0.91 0.00 0.00 -1.10 0.00 0.00 60.65 58.59 1i3h s ILE 52 Cb -0.13 -1.54 -0.03 0.00 -1.06 0.00 0.00 42.46 39.70 1i3h s ILE 52 CO -0.02 0.50 -0.04 0.27 -0.10 0.00 0.00 174.94 175.55 1i3h s ILE 53 N 0.03 0.28 -0.22 2.92 -4.36 -0.15 -0.93 121.20 118.78 1i3h s ILE 53 Ca -0.07 -1.20 -0.26 0.00 -0.26 0.00 0.00 60.65 58.85 1i3h s ILE 53 Cb -0.14 -0.70 0.07 0.00 1.25 0.00 0.00 42.46 42.95 1i3h s ILE 53 CO 0.04 -0.60 0.73 -0.47 0.24 0.00 0.00 174.94 174.88 1i3h s TYR 54 N -2.08 -0.74 0.05 1.37 5.04 -0.72 -1.55 117.35 118.71 1i3h s TYR 54 Ca -0.08 1.70 -0.05 0.00 -2.44 0.00 0.00 57.07 56.20 1i3h s TYR 54 Cb -0.05 0.31 -0.02 0.00 0.35 0.00 0.00 41.96 42.55 1i3h s TYR 54 CO -0.03 -0.43 0.08 0.54 -1.34 0.00 0.00 175.55 174.38 1i3h s ASN 55 N -0.01 0.25 0.00 4.32 2.20 -1.26 -1.26 114.94 119.17 1i3h s ASN 55 Ca -0.02 -0.68 0.29 0.00 -0.94 0.00 0.00 52.86 51.51 1i3h s ASN 55 Cb -0.04 0.24 1.28 0.00 -2.00 0.00 0.00 41.25 40.73 1i3h s ASN 55 CO 0.03 -0.57 1.93 -1.54 -2.94 0.00 0.00 177.10 174.01 1i3h n SER 56 N 0.45 0.07 -0.03 3.54 3.41 0.31 -0.69 113.62 120.68 1i3h n SER 56 Ca -0.17 0.16 -0.12 0.00 -0.26 0.00 0.00 58.87 58.48 1i3h n SER 56 Cb 0.60 -0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 64.09 1i3h n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1i3h h VAL 57 N 0.04 1.44 0.00 -3.33 2.07 -1.91 -3.36 116.25 111.20 1i3h h VAL 57 Ca 0.00 -1.76 -0.14 0.00 0.82 0.00 0.00 66.70 65.62 1i3h h VAL 57 Cb 0.42 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1i3h h VAL 57 CO 0.00 0.43 -1.21 0.44 0.02 0.00 0.00 177.57 177.25 1i3h h ASP 58 N -0.84 0.00 -6.09 0.57 3.32 -1.97 -3.48 116.42 107.93 1i3h h ASP 58 Ca -0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.63 1i3h h ASP 58 Cb 0.73 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.34 1i3h h ASP 58 CO 0.01 0.52 -0.85 0.29 -1.72 0.00 0.00 179.24 177.48 1i3h n LYS 59 N -2.93 -4.19 -3.73 3.56 5.02 0.14 -4.92 118.16 111.10 1i3h n LYS 59 Ca -0.07 0.60 -0.23 0.00 -2.02 0.00 0.00 58.31 56.60 1i3h n LYS 59 Cb 0.80 -5.05 -0.18 0.00 -0.02 0.00 0.00 35.03 30.58 1i3h n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1i3h s ARG 60 N -5.91 0.40 -0.22 1.97 3.52 -1.26 -1.50 118.95 115.94 1i3h s ARG 60 Ca 0.09 0.14 -0.17 0.00 -0.13 0.00 0.00 55.73 55.65 1i3h s ARG 60 Cb -0.02 -0.97 -0.03 0.00 -1.56 0.00 0.00 34.95 32.36 1i3h s ARG 60 CO 0.82 -0.35 0.47 -1.17 -0.81 0.00 0.00 175.30 174.26 1i3h s LEU 61 N 2.03 4.11 0.08 -0.88 2.96 -0.22 -4.32 118.68 122.44 1i3h s LEU 61 Ca 0.04 0.56 0.05 0.00 -0.22 0.00 0.00 54.13 54.57 1i3h s LEU 61 Cb -0.13 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1i3h s LEU 61 CO -0.05 -0.18 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.21 1i3h s SER 62 N 1.28 1.80 0.00 3.68 0.01 -0.60 -0.86 113.70 119.01 1i3h s SER 62 Ca 0.21 -0.66 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 1i3h s SER 62 Cb -0.15 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.02 1i3h s SER 62 CO 0.09 -0.08 0.08 0.00 0.41 0.00 0.00 173.24 173.74 1i3h s ALA 63 N -1.46 -0.18 -0.03 1.44 0.00 0.14 -0.97 121.76 120.69 1i3h s ALA 63 Ca 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1i3h s ALA 63 Cb -0.09 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1i3h s ALA 63 CO 0.02 -0.17 -0.03 0.08 0.00 0.00 0.00 175.76 175.67 1i3h s VAL 64 N -1.16 0.41 -0.07 0.00 1.01 -0.14 -1.40 120.40 119.05 1i3h s VAL 64 Ca -0.13 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1i3h s VAL 64 Cb -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1i3h s VAL 64 CO 0.01 0.18 -0.18 -0.69 0.00 0.00 0.00 175.10 174.42 1i3h s VAL 65 N 0.77 1.57 0.06 2.92 1.01 0.06 -0.77 120.40 126.04 1i3h s VAL 65 Ca -0.09 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1i3h s VAL 65 Cb -0.12 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1i3h s VAL 65 CO -0.00 0.45 -0.06 -0.94 0.00 0.00 0.00 175.10 174.55 1i3h s SER 66 N 0.33 0.85 0.09 3.32 1.04 0.14 -1.11 113.70 118.37 1i3h s SER 66 Ca -0.12 -0.81 0.07 0.00 0.48 0.00 0.00 55.95 55.56 1i3h s SER 66 Cb -0.15 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1i3h s SER 66 CO 0.05 -0.39 -0.17 -0.31 0.98 0.00 0.00 173.24 173.39 1i3h s TYR 67 N -2.77 1.50 0.21 5.02 2.02 -1.26 -1.00 117.35 121.07 1i3h s TYR 67 Ca 0.01 -0.44 -0.32 0.00 -0.37 0.00 0.00 57.07 55.95 1i3h s TYR 67 Cb -0.00 -0.83 -0.14 0.00 -0.40 0.00 0.00 41.96 40.59 1i3h s TYR 67 CO -0.04 0.13 1.38 -2.30 -1.57 0.00 0.00 175.55 173.16 1i3h n PRO 68 N 1.14 1.85 -0.86 -1.71 -0.02 -1.26 -2.51 135.00 131.63 1i3h n PRO 68 Ca -0.20 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1i3h n PRO 68 Cb 0.54 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1i3h n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1i3h n ASN 69 N 2.28 -1.46 -4.61 2.55 4.13 -1.26 -4.99 115.26 111.91 1i3h n ASN 69 Ca 0.13 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.14 1i3h n ASN 69 Cb 0.29 -1.32 -0.09 0.00 -1.54 0.00 0.00 39.78 37.13 1i3h n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i3h s ALA 70 N -2.32 3.13 0.55 5.41 0.00 -1.05 -5.11 121.76 122.37 1i3h s ALA 70 Ca 0.00 -1.96 -0.22 0.00 0.00 0.00 0.00 51.96 49.78 1i3h s ALA 70 Cb 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 1i3h s ALA 70 CO 0.00 0.10 1.37 -0.25 0.00 0.00 0.00 175.76 176.98 1i3h n ASP 71 N -0.90 2.76 -4.93 0.00 8.00 -1.26 -4.68 116.55 115.53 1i3h n ASP 71 Ca -0.04 0.98 -0.25 0.00 0.71 0.00 0.00 54.79 56.18 1i3h n ASP 71 Cb 0.62 -1.58 0.05 0.00 -0.02 0.00 0.00 41.12 40.18 1i3h n ASP 71 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1i3h s SER 72 N -0.90 5.25 -0.12 -2.24 0.01 -1.26 -4.68 113.70 109.76 1i3h s SER 72 Ca 0.71 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1i3h s SER 72 Cb -0.42 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.45 1i3h s SER 72 CO 0.49 -1.27 -0.12 0.00 0.41 0.00 0.00 173.24 172.74 1i3h s ALA 73 N -3.05 2.66 -0.01 1.44 0.00 -0.26 -4.97 121.76 117.58 1i3h s ALA 73 Ca 0.57 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1i3h s ALA 73 Cb -0.11 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1i3h s ALA 73 CO 0.44 0.31 -0.11 0.99 0.00 0.00 0.00 175.76 177.39 1i3h s THR 74 N 0.13 0.87 -0.01 0.00 2.01 -1.26 -0.76 115.64 116.62 1i3h s THR 74 Ca -0.06 -0.49 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 1i3h s THR 74 Cb -0.15 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.63 1i3h s THR 74 CO 0.05 0.23 0.07 0.54 -0.69 0.00 0.00 174.62 174.81 1i3h s VAL 75 N -0.29 0.06 0.01 3.82 0.11 -0.49 -4.71 120.40 118.90 1i3h s VAL 75 Ca 0.04 -0.49 -0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1i3h s VAL 75 Cb -0.04 -0.26 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 1i3h s VAL 75 CO -0.00 -0.27 0.07 -0.44 -3.33 0.00 0.00 175.10 171.12 1i3h s SER 76 N -0.86 0.11 -0.12 3.54 0.01 -1.26 -0.69 113.70 114.43 1i3h s SER 76 Ca -0.09 -0.32 -0.07 0.00 1.31 0.00 0.00 55.95 56.78 1i3h s SER 76 Cb -0.06 0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.38 1i3h s SER 76 CO 0.00 -0.33 0.29 -0.47 0.41 0.00 0.00 173.24 173.14 1i3h s TYR 77 N -1.37 -0.39 -0.27 2.43 5.04 -0.04 -4.90 117.35 117.85 1i3h s TYR 77 Ca -0.15 0.89 -0.29 0.00 -2.44 0.00 0.00 57.07 55.09 1i3h s TYR 77 Cb -0.08 0.11 0.01 0.00 0.35 0.00 0.00 41.96 42.35 1i3h s TYR 77 CO 0.00 -0.24 1.06 -0.51 -1.34 0.00 0.00 175.55 174.53 1i3h s ASP 78 N 1.03 7.03 -0.20 4.32 1.01 -1.26 -1.05 116.67 127.54 1i3h s ASP 78 Ca -0.07 1.25 -0.16 0.00 0.71 0.00 0.00 52.55 54.28 1i3h s ASP 78 Cb -0.08 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.36 1i3h s ASP 78 CO -0.07 -0.76 0.52 0.54 0.21 0.00 0.00 175.17 175.61 1i3h s VAL 79 N 3.40 -0.00 -0.43 -1.27 0.11 -0.56 -4.98 120.40 116.66 1i3h s VAL 79 Ca 0.45 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.34 1i3h s VAL 79 Cb -0.14 -0.74 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1i3h s VAL 79 CO 0.10 0.01 0.48 -0.62 -3.33 0.00 0.00 175.10 171.74 1i3h s ASP 80 N 0.62 6.21 0.60 3.54 -1.08 -1.26 -4.10 116.67 121.21 1i3h s ASP 80 Ca -0.03 -0.69 0.39 0.00 -0.52 0.00 0.00 52.55 51.71 1i3h s ASP 80 Cb -0.05 -2.24 1.91 0.00 -1.46 0.00 0.00 42.92 41.09 1i3h s ASP 80 CO -0.04 -0.64 2.18 -0.07 0.52 0.00 0.00 175.17 177.12 1i3h h LEU 81 N 9.19 0.00 -1.90 -1.34 3.38 -1.97 -0.72 115.31 121.95 1i3h h LEU 81 Ca -0.26 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.80 1i3h h LEU 81 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1i3h h LEU 81 CO 0.83 0.00 0.29 0.44 0.09 0.00 0.00 178.44 180.09 1i3h h ASP 82 N 0.00 0.10 0.11 -0.43 5.19 -1.92 -0.88 116.42 118.58 1i3h h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1i3h h ASP 82 Cb 0.24 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1i3h h ASP 82 CO 0.00 0.06 -0.06 0.59 -3.12 0.00 0.00 179.24 176.71 1i3h n ASN 83 N -4.44 0.87 0.00 6.45 3.02 -0.28 -4.51 115.26 116.38 1i3h n ASN 83 Ca 0.06 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1i3h n ASN 83 Cb 0.41 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1i3h n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1i3h n VAL 84 N -0.45 0.00 -4.06 2.41 0.31 -0.68 -5.08 118.33 110.79 1i3h n VAL 84 Ca 0.18 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.27 1i3h n VAL 84 Cb 0.28 -0.87 -0.04 0.00 -0.91 0.00 0.00 33.84 32.30 1i3h n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1i3h s LEU 85 N -5.21 3.95 0.87 7.52 1.43 -0.42 -4.97 118.68 121.84 1i3h s LEU 85 Ca 0.00 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1i3h s LEU 85 Cb 0.00 -2.52 0.11 0.00 0.03 0.00 0.00 46.19 43.81 1i3h s LEU 85 CO 0.00 0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.53 1i3h s PRO 86 N -3.45 1.50 0.24 1.29 0.04 -1.26 -4.75 135.00 128.62 1i3h s PRO 86 Ca 0.32 0.94 -0.06 0.00 0.04 0.00 0.00 61.00 62.24 1i3h s PRO 86 Cb -0.09 -1.83 0.30 0.00 0.04 0.00 0.00 34.50 32.92 1i3h s PRO 86 CO 0.25 -2.11 1.89 1.49 0.04 0.00 0.00 177.00 178.56 1i3h h GLU 87 N -1.46 1.10 -5.78 4.56 4.81 -1.95 -3.41 114.58 112.46 1i3h h GLU 87 Ca -0.48 -0.07 -0.67 0.00 -0.13 0.00 0.00 59.36 58.02 1i3h h GLU 87 Cb 1.27 -0.25 -0.20 0.00 0.63 0.00 0.00 28.75 30.21 1i3h h GLU 87 CO 0.53 0.73 -0.67 -1.58 -0.73 0.00 0.00 179.01 177.29 1i3h s TRP 88 N -6.09 3.00 0.22 0.92 0.52 -1.26 -0.80 118.94 115.46 1i3h s TRP 88 Ca -0.13 -0.09 0.00 0.00 0.02 0.00 0.00 56.10 55.91 1i3h s TRP 88 Cb 0.18 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 1i3h s TRP 88 CO 0.80 0.20 0.16 0.14 0.02 0.00 0.00 176.95 178.28 1i3h s VAL 89 N -0.35 0.00 0.22 4.03 -7.23 -0.38 -4.44 120.40 112.25 1i3h s VAL 89 Ca 0.06 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.33 1i3h s VAL 89 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1i3h s VAL 89 CO 0.02 0.00 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.63 1i3h s ARG 90 N -4.03 2.19 0.10 4.82 0.52 -0.28 -0.59 118.95 121.67 1i3h s ARG 90 Ca 0.39 -1.34 0.09 0.00 -0.52 0.00 0.00 55.73 54.35 1i3h s ARG 90 Cb 0.06 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 1i3h s ARG 90 CO 0.15 0.40 -0.20 0.14 0.02 0.00 0.00 175.30 175.81 1i3h s VAL 91 N -2.03 2.72 0.30 3.52 -7.23 -1.26 -1.14 120.40 115.28 1i3h s VAL 91 Ca 0.28 -1.46 -0.19 0.00 -1.81 0.00 0.00 61.98 58.80 1i3h s VAL 91 Cb -0.08 -2.21 0.06 0.00 0.56 0.00 0.00 36.38 34.71 1i3h s VAL 91 CO 0.18 0.16 0.86 -0.83 -0.31 0.00 0.00 175.10 175.16 1i3h s GLY 92 N -1.93 0.19 0.01 2.32 0.00 -0.24 -1.22 107.32 106.45 1i3h s GLY 92 Ca 0.16 -0.51 0.08 0.00 0.00 0.00 0.00 44.72 44.45 1i3h s GLY 92 CO 0.08 0.41 -0.25 1.08 0.00 0.00 0.00 173.10 174.42 1i3h s LEU 93 N -3.12 2.10 0.06 0.66 1.43 0.04 -0.79 118.68 119.06 1i3h s LEU 93 Ca 0.16 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1i3h s LEU 93 Cb -0.04 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1i3h s LEU 93 CO 0.09 0.28 -0.08 -0.55 0.23 0.00 0.00 176.35 176.31 1i3h s SER 94 N -0.85 0.98 0.18 2.29 0.15 0.14 -0.80 113.70 115.80 1i3h s SER 94 Ca 0.10 -0.67 -0.20 0.00 0.70 0.00 0.00 55.95 55.89 1i3h s SER 94 Cb -0.10 0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1i3h s SER 94 CO 0.00 -0.26 0.56 0.00 1.20 0.00 0.00 173.24 174.74 1i3h s ALA 95 N -1.92 -1.22 0.22 5.45 0.00 -0.62 -0.26 121.76 123.41 1i3h s ALA 95 Ca -0.04 0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 1i3h s ALA 95 Cb -0.06 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1i3h s ALA 95 CO -0.01 -0.80 0.54 0.45 0.00 0.00 0.00 175.76 175.95 1i3h s SER 96 N -2.82 -0.23 0.17 0.00 0.15 -1.03 -1.85 113.70 108.09 1i3h s SER 96 Ca 0.05 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.13 1i3h s SER 96 Cb -0.01 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1i3h s SER 96 CO -0.07 -1.11 0.03 0.42 1.20 0.00 0.00 173.24 173.71 1i3h s THR 97 N -3.91 0.49 0.00 6.45 -4.23 -0.09 -0.83 115.64 113.53 1i3h s THR 97 Ca 0.12 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1i3h s THR 97 Cb -0.02 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.65 1i3h s THR 97 CO 0.01 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1i3h n GLY 98 N -0.23 4.80 0.24 3.99 0.00 -1.26 -1.15 105.19 111.58 1i3h n GLY 98 Ca -0.05 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 1i3h n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i3h h LEU 99 N 0.00 0.73-10.30 0.99 5.85 -1.97 -0.64 115.31 109.97 1i3h h LEU 99 Ca 0.00 -0.19 -0.44 0.00 0.84 0.00 0.00 57.88 58.09 1i3h h LEU 99 Cb 0.00 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1i3h h LEU 99 CO 0.00 0.72 -0.35 -0.31 -0.34 0.00 0.00 178.44 178.16 1i3h s TYR 100 N -5.49 3.09 0.25 1.25 1.51 -1.26 -4.87 117.35 111.84 1i3h s TYR 100 Ca -0.13 -0.23 -0.10 0.00 -1.01 0.00 0.00 57.07 55.60 1i3h s TYR 100 Cb 0.12 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.98 1i3h s TYR 100 CO 0.78 -0.00 0.44 -1.59 -1.11 0.00 0.00 175.55 174.07 1i3h s LYS 101 N -4.16 1.55 -0.16 -0.62 -2.85 -1.22 -4.36 119.74 107.92 1i3h s LYS 101 Ca 0.45 -1.36 -0.32 0.00 -1.00 0.00 0.00 55.97 53.74 1i3h s LYS 101 Cb -0.09 0.44 0.14 0.00 -2.06 0.00 0.00 37.83 36.26 1i3h s LYS 101 CO 0.31 -0.63 1.11 -1.83 0.10 0.00 0.00 175.35 174.40 1i3h s GLU 102 N -3.90 0.45 0.41 1.78 -1.05 -1.08 -3.19 118.70 112.13 1i3h s GLU 102 Ca 0.25 -0.06 -0.25 0.00 -0.15 0.00 0.00 54.97 54.76 1i3h s GLU 102 Cb 0.00 0.21 -0.08 0.00 -0.44 0.00 0.00 34.13 33.82 1i3h s GLU 102 CO 0.11 -0.18 1.16 0.95 0.95 0.00 0.00 175.26 178.25 1i3h s THR 103 N -2.00 3.17 -0.58 1.83 -4.23 0.45 -4.73 115.64 109.54 1i3h s THR 103 Ca 0.05 0.96 0.06 0.00 -1.18 0.00 0.00 61.69 61.58 1i3h s THR 103 Cb -0.01 -3.53 0.31 0.00 1.34 0.00 0.00 72.50 70.61 1i3h s THR 103 CO -0.04 0.07 0.85 0.59 -0.54 0.00 0.00 174.62 175.54 1i3h n ASN 104 N -0.03 3.89 -4.66 3.99 3.02 -1.26 -3.82 115.26 116.39 1i3h n ASN 104 Ca 0.05 -3.53 -0.39 0.00 -0.03 0.00 0.00 54.58 50.68 1i3h n ASN 104 Cb 0.47 -0.61 -0.07 0.00 -0.61 0.00 0.00 39.78 38.96 1i3h n ASN 104 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1i3h s THR 105 N -3.54 5.14 -0.25 3.41 2.01 -1.10 -2.01 115.64 119.29 1i3h s THR 105 Ca 0.45 0.86 -0.09 0.00 0.31 0.00 0.00 61.69 63.22 1i3h s THR 105 Cb 0.23 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1i3h s THR 105 CO -0.09 0.20 0.12 -0.63 -0.69 0.00 0.00 174.62 173.53 1i3h s ILE 106 N 1.58 4.84 -0.12 1.82 -1.09 0.79 -0.76 121.20 128.25 1i3h s ILE 106 Ca 0.22 0.01 0.17 0.00 -2.23 0.00 0.00 60.65 58.82 1i3h s ILE 106 Cb -0.15 -3.27 -0.20 0.00 -1.58 0.00 0.00 42.46 37.25 1i3h s ILE 106 CO 0.09 0.31 0.57 0.18 -1.23 0.00 0.00 174.94 174.87 1i3h n LEU 107 N 4.80 0.54 -3.51 2.97 4.77 -0.08 -1.50 117.00 124.98 1i3h n LEU 107 Ca -0.15 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 1i3h n LEU 107 Cb 0.52 0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.74 1i3h n LEU 107 CO 0.32 0.25 0.38 -0.94 -1.33 0.00 0.00 177.39 176.07 1i3h s SER 108 N -5.59 -0.57 -0.21 -1.43 1.04 -1.21 -4.50 113.70 101.24 1i3h s SER 108 Ca -0.06 0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.65 1i3h s SER 108 Cb 0.09 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.83 1i3h s SER 108 CO 0.83 -0.73 0.48 0.86 0.98 0.00 0.00 173.24 175.66 1i3h s TRP 109 N -2.21 -0.84 0.16 5.02 -0.00 -0.02 -1.61 118.94 119.43 1i3h s TRP 109 Ca -0.06 1.63 0.07 0.00 -0.00 0.00 0.00 56.10 57.74 1i3h s TRP 109 Cb -0.01 0.40 -0.04 0.00 -0.00 0.00 0.00 33.47 33.82 1i3h s TRP 109 CO 0.01 -0.47 -0.15 -1.54 -0.00 0.00 0.00 176.95 174.80 1i3h s SER 110 N 2.12 2.31 -0.17 5.86 1.04 0.19 -0.24 113.70 124.82 1i3h s SER 110 Ca -0.06 -0.89 -0.15 0.00 0.48 0.00 0.00 55.95 55.33 1i3h s SER 110 Cb -0.10 -0.10 0.04 0.00 0.10 0.00 0.00 66.02 65.96 1i3h s SER 110 CO -0.15 -0.14 0.44 0.12 0.98 0.00 0.00 173.24 174.50 1i3h s PHE 111 N -2.41 -0.49 -0.02 5.02 5.36 -0.49 -1.50 117.98 123.45 1i3h s PHE 111 Ca 0.15 1.19 0.02 0.00 -0.96 0.00 0.00 56.93 57.32 1i3h s PHE 111 Cb -0.03 0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.82 1i3h s PHE 111 CO 0.05 -0.23 -0.05 0.99 -1.46 0.00 0.00 175.22 174.51 1i3h s THR 112 N 0.25 0.46 0.03 0.12 2.01 -0.14 -1.10 115.64 117.27 1i3h s THR 112 Ca -0.00 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1i3h s THR 112 Cb -0.03 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1i3h s THR 112 CO 0.00 0.16 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.39 1i3h s SER 113 N 0.24 1.78 0.02 3.53 0.15 -0.05 -1.02 113.70 118.36 1i3h s SER 113 Ca -0.03 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.24 1i3h s SER 113 Cb -0.07 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1i3h s SER 113 CO -0.00 0.09 -0.10 -0.54 1.20 0.00 0.00 173.24 173.89 1i3h s LYS 114 N -0.95 0.68 -0.05 5.44 1.02 -0.17 -1.19 119.74 124.53 1i3h s LYS 114 Ca 0.03 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.46 1i3h s LYS 114 Cb -0.07 -0.61 0.03 0.00 -0.52 0.00 0.00 37.83 36.66 1i3h s LYS 114 CO 0.01 0.15 0.08 -1.17 -0.92 0.00 0.00 175.35 173.51 1i3h s LEU 115 N -0.84 0.09 -0.08 3.17 2.96 -0.44 -1.50 118.68 122.05 1i3h s LEU 115 Ca -0.01 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 1i3h s LEU 115 Cb -0.06 -0.04 -0.00 0.00 0.50 0.00 0.00 46.19 46.58 1i3h s LEU 115 CO 0.00 -0.25 -0.24 -0.75 -1.32 0.00 0.00 176.35 173.80 1i3h s LYS 116 N 2.20 2.71 0.40 1.98 2.47 0.24 -0.95 119.74 128.78 1i3h s LYS 116 Ca 0.05 -0.86 0.06 0.00 -1.56 0.00 0.00 55.97 53.65 1i3h s LYS 116 Cb -0.12 -2.17 0.07 0.00 -1.46 0.00 0.00 37.83 34.15 1i3h s LYS 116 CO -0.04 0.27 0.55 -1.13 0.16 0.00 0.00 175.35 175.17 1i3h n SER 117 N 3.25 1.38 -0.40 1.43 3.41 -1.15 0.07 113.62 121.61 1i3h n SER 117 Ca -0.18 -2.02 0.14 0.00 -0.26 0.00 0.00 58.87 56.55 1i3h n SER 117 Cb 0.52 -0.30 0.54 0.00 -0.26 0.00 0.00 64.21 64.71 1i3h n SER 117 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1i3h n ASN 118 N -2.58 1.29 -4.76 4.04 2.04 -1.26 -4.55 115.26 109.49 1i3h n ASN 118 Ca 0.11 -1.34 -0.35 0.00 -0.44 0.00 0.00 54.58 52.56 1i3h n ASN 118 Cb 0.41 0.02 0.04 0.00 -2.53 0.00 0.00 39.78 37.71 1i3h n ASN 118 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1i3h s SER 119 N -2.09 5.18 -0.24 0.53 0.01 -1.26 -4.79 113.70 111.04 1i3h s SER 119 Ca 0.36 2.29 -0.29 0.00 1.31 0.00 0.00 55.95 59.62 1i3h s SER 119 Cb 0.21 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.84 1i3h s SER 119 CO 0.37 -1.60 1.32 -0.89 0.41 0.00 0.00 173.24 172.85 1i3h s THR 120 N -1.78 4.14 0.00 1.44 2.01 -1.26 -3.07 115.64 117.13 1i3h s THR 120 Ca 0.75 1.33 0.00 0.00 0.31 0.00 0.00 61.69 64.08 1i3h s THR 120 Cb -0.28 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.19 1i3h s THR 120 CO 0.34 -0.33 0.00 0.00 -0.69 0.00 0.00 174.62 173.94 1i3h n HIS 121 N 7.32 0.00 -0.88 4.92 1.44 -1.26 -4.97 115.22 121.79 1i3h n HIS 121 Ca 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 1i3h n HIS 121 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1i3h n HIS 121 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1i3h n GLU 122 N 0.00 0.00 -4.83 -1.40 4.07 -1.18 -4.54 120.64 112.76 1i3h n GLU 122 Ca 0.00 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 1i3h n GLU 122 Cb 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.22 1i3h n GLU 122 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1i3h s THR 123 N -0.45 1.42 0.13 6.31 -1.32 -1.26 -2.94 115.64 117.52 1i3h s THR 123 Ca 0.00 -0.71 -0.03 0.00 -1.21 0.00 0.00 61.69 59.74 1i3h s THR 123 Cb 0.00 -1.22 -0.05 0.00 -1.51 0.00 0.00 72.50 69.72 1i3h s THR 123 CO 0.00 0.41 0.33 0.20 -2.21 0.00 0.00 174.62 173.35 1i3h s ASN 124 N 0.01 6.44 -0.00 8.08 -0.87 -0.13 -4.96 114.94 123.51 1i3h s ASN 124 Ca -0.03 0.47 -0.15 0.00 -1.57 0.00 0.00 52.86 51.58 1i3h s ASN 124 Cb -0.11 -2.04 0.02 0.00 -0.02 0.00 0.00 41.25 39.10 1i3h s ASN 124 CO 0.02 0.07 0.32 0.00 -2.57 0.00 0.00 177.10 174.95 1i3h s ALA 125 N -1.64 -0.80 -0.04 0.60 0.00 -1.26 -1.32 121.76 117.29 1i3h s ALA 125 Ca 0.39 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.67 1i3h s ALA 125 Cb -0.12 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1i3h s ALA 125 CO 0.26 -0.30 -0.14 -1.17 0.00 0.00 0.00 175.76 174.41 1i3h s LEU 126 N -1.50 1.85 -0.02 0.00 2.96 -0.33 -5.00 118.68 116.64 1i3h s LEU 126 Ca -0.11 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1i3h s LEU 126 Cb -0.04 -0.80 0.02 0.00 0.50 0.00 0.00 46.19 45.86 1i3h s LEU 126 CO 0.03 0.11 0.00 -2.28 -1.32 0.00 0.00 176.35 172.89 1i3h s HIS 127 N 0.14 0.18 0.07 5.38 5.65 -1.26 -0.87 115.29 124.58 1i3h s HIS 127 Ca -0.04 0.02 0.03 0.00 0.25 0.00 0.00 55.06 55.32 1i3h s HIS 127 Cb -0.11 -0.26 -0.03 0.00 -1.18 0.00 0.00 32.58 31.00 1i3h s HIS 127 CO 0.02 -0.08 -0.09 -0.59 -0.65 0.00 0.00 174.74 173.35 1i3h s PHE 128 N 0.67 0.92 -0.06 3.88 -0.12 -0.26 -5.00 117.98 118.01 1i3h s PHE 128 Ca -0.06 -0.62 -0.02 0.00 -0.05 0.00 0.00 56.93 56.18 1i3h s PHE 128 Cb -0.09 -0.52 0.04 0.00 -0.63 0.00 0.00 43.02 41.82 1i3h s PHE 128 CO -0.01 -0.05 0.11 1.41 -0.05 0.00 0.00 175.22 176.63 1i3h s MET 129 N -2.41 0.01 -0.25 1.99 1.75 -1.26 -1.40 119.30 117.73 1i3h s MET 129 Ca 0.00 0.40 -0.02 0.00 -1.25 0.00 0.00 55.69 54.83 1i3h s MET 129 Cb -0.05 -0.30 0.02 0.00 2.84 0.00 0.00 34.83 37.34 1i3h s MET 129 CO -0.00 -0.25 -0.06 -0.06 -0.65 0.00 0.00 175.02 174.00 1i3h s PHE 130 N 1.77 3.06 -0.38 4.11 0.08 0.67 -4.93 117.98 122.36 1i3h s PHE 130 Ca -0.02 -1.51 0.10 0.00 0.12 0.00 0.00 56.93 55.62 1i3h s PHE 130 Cb -0.12 -2.06 -0.12 0.00 -0.57 0.00 0.00 43.02 40.14 1i3h s PHE 130 CO -0.05 -0.72 0.39 0.09 -0.10 0.00 0.00 175.22 174.84 1i3h n ASN 131 N 4.68 0.95 -3.79 1.36 3.02 -1.26 -0.84 115.26 119.38 1i3h n ASN 131 Ca -0.17 -0.58 -0.13 0.00 -0.03 0.00 0.00 54.58 53.67 1i3h n ASN 131 Cb 0.47 1.11 -0.14 0.00 -0.61 0.00 0.00 39.78 40.61 1i3h n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1i3h s GLN 132 N -2.14 0.05 -0.05 3.52 0.74 -1.26 -4.74 119.66 115.79 1i3h s GLN 132 Ca 0.02 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.66 1i3h s GLN 132 Cb 0.08 -0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.03 1i3h s GLN 132 CO 0.42 -0.11 -0.02 -0.06 -0.55 0.00 0.00 175.29 174.97 1i3h s PHE 133 N 0.74 3.05 0.29 1.67 0.40 0.33 -5.02 117.98 119.44 1i3h s PHE 133 Ca -0.06 0.09 0.10 0.00 -0.60 0.00 0.00 56.93 56.46 1i3h s PHE 133 Cb -0.08 -1.71 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 1i3h s PHE 133 CO -0.03 0.42 -0.07 -1.54 0.70 0.00 0.00 175.22 174.70 1i3h s SER 134 N -1.12 4.12 0.52 1.36 1.04 -1.26 -3.76 113.70 114.60 1i3h s SER 134 Ca 0.15 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 1i3h s SER 134 Cb -0.11 -0.58 -0.00 0.00 0.10 0.00 0.00 66.02 65.42 1i3h s SER 134 CO 0.05 -0.04 0.79 -0.75 0.98 0.00 0.00 173.24 174.28 1i3h s LYS 135 N -3.63 3.04 -1.32 4.02 2.47 -1.25 -3.48 119.74 119.60 1i3h s LYS 135 Ca 0.32 -0.18 -0.02 0.00 -1.56 0.00 0.00 55.97 54.52 1i3h s LYS 135 Cb -0.04 -2.40 -0.00 0.00 -1.46 0.00 0.00 37.83 33.92 1i3h s LYS 135 CO 0.18 -0.47 0.63 -3.47 0.16 0.00 0.00 175.35 172.38 1i3h n ASP 136 N -2.34 -1.35 -4.52 1.43 2.03 -1.26 -4.91 116.55 105.62 1i3h n ASP 136 Ca 0.03 -0.89 -0.42 0.00 0.52 0.00 0.00 54.79 54.03 1i3h n ASP 136 Cb 0.57 -3.74 -0.03 0.00 -0.72 0.00 0.00 41.12 37.21 1i3h n ASP 136 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1i3h s GLN 137 N -6.11 3.18 0.11 -0.67 0.74 -1.23 -4.89 119.66 110.81 1i3h s GLN 137 Ca 0.05 -0.42 0.21 0.00 0.05 0.00 0.00 55.36 55.25 1i3h s GLN 137 Cb -0.02 -4.18 0.85 0.00 1.10 0.00 0.00 33.01 30.76 1i3h s GLN 137 CO 0.84 -1.99 1.64 1.63 -0.55 0.00 0.00 175.29 176.86 1i3h n LYS 138 N 8.70 0.09 -0.21 1.67 5.02 -1.26 -1.70 118.16 130.47 1i3h n LYS 138 Ca 0.01 0.27 0.09 0.00 -2.02 0.00 0.00 58.31 56.66 1i3h n LYS 138 Cb 0.48 -1.66 0.24 0.00 -0.02 0.00 0.00 35.03 34.07 1i3h n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1i3h n ASP 139 N -1.83 2.47 -4.32 4.39 5.68 -1.26 -4.84 116.55 116.83 1i3h n ASP 139 Ca 0.04 -1.94 -0.29 0.00 -0.50 0.00 0.00 54.79 52.09 1i3h n ASP 139 Cb 0.24 -0.27 -0.15 0.00 -1.14 0.00 0.00 41.12 39.80 1i3h n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1i3h s LEU 140 N -1.15 2.14 -0.38 -2.12 1.43 -0.69 -1.01 118.68 116.91 1i3h s LEU 140 Ca 0.33 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 1i3h s LEU 140 Cb 0.17 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 45.18 1i3h s LEU 140 CO 0.23 0.25 0.24 -0.63 0.23 0.00 0.00 176.35 176.68 1i3h s ILE 141 N -0.76 4.98 -0.07 -0.59 1.01 0.29 -4.87 121.20 121.18 1i3h s ILE 141 Ca 0.11 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 1i3h s ILE 141 Cb -0.10 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1i3h s ILE 141 CO 0.01 -0.19 0.39 -0.76 0.00 0.00 0.00 174.94 174.39 1i3h s LEU 142 N 1.64 4.36 0.06 2.97 1.43 -1.26 -0.98 118.68 126.91 1i3h s LEU 142 Ca 0.04 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.01 1i3h s LEU 142 Cb -0.19 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 1i3h s LEU 142 CO 0.09 0.19 -0.19 -1.10 0.23 0.00 0.00 176.35 175.56 1i3h s GLN 143 N -0.25 1.19 6.82 1.70 -0.21 0.17 -4.99 119.66 124.10 1i3h s GLN 143 Ca 0.22 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.64 1i3h s GLN 143 Cb -0.15 -1.32 0.00 0.00 1.00 0.00 0.00 33.01 32.53 1i3h s GLN 143 CO 0.10 0.33 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 1i3h n GLY 144 N 1.62 2.36 0.44 3.09 0.00 -1.26 -1.55 105.19 109.89 1i3h n GLY 144 Ca -0.18 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1i3h n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i3h n ASP 145 N 4.83 1.35 -4.77 1.61 8.00 0.25 -4.94 116.55 122.89 1i3h n ASP 145 Ca 0.00 -1.55 -0.41 0.00 0.71 0.00 0.00 54.79 53.55 1i3h n ASP 145 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 1i3h n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i3h s ALA 146 N -1.91 3.48 0.07 2.24 0.00 -1.14 -4.46 121.76 120.05 1i3h s ALA 146 Ca 0.36 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.51 1i3h s ALA 146 Cb 0.19 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1i3h s ALA 146 CO 0.30 -0.53 -0.06 0.95 0.00 0.00 0.00 175.76 176.41 1i3h s THR 147 N -1.10 0.58 0.10 0.00 -4.23 -0.44 -4.74 115.64 105.81 1i3h s THR 147 Ca 0.48 -1.64 0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1i3h s THR 147 Cb -0.38 -1.31 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 1i3h s THR 147 CO 0.50 -0.73 -0.15 0.42 -0.54 0.00 0.00 174.62 174.12 1i3h s THR 148 N -2.94 1.29 0.00 3.99 -4.23 -1.26 -0.69 115.64 111.81 1i3h s THR 148 Ca 0.04 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1i3h s THR 148 Cb 0.01 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.49 1i3h s THR 148 CO -0.04 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1i3h n GLY 149 N 0.89 1.90 3.62 3.99 0.00 -0.74 -3.78 105.19 111.08 1i3h n GLY 149 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1i3h n GLY 149 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i3h s THR 150 N -2.11 3.22 -1.72 2.61 -1.32 -1.25 -0.90 115.64 114.18 1i3h s THR 150 Ca 0.00 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1i3h s THR 150 Cb 0.00 -3.25 0.00 0.00 -1.51 0.00 0.00 72.50 67.74 1i3h s THR 150 CO 0.00 -0.13 0.00 -0.90 -2.21 0.00 0.00 174.62 171.38 1i3h n ASP 151 N 10.04 -4.98 0.00 8.08 5.75 -1.26 -1.45 116.55 132.74 1i3h n ASP 151 Ca 0.25 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 1i3h n ASP 151 Cb 0.45 -4.31 0.00 0.00 -1.03 0.00 0.00 41.12 36.23 1i3h n ASP 151 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i3h n GLY 152 N -0.64 0.44 3.81 6.12 0.00 -0.08 -4.98 105.19 109.86 1i3h n GLY 152 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1i3h n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i3h s ASN 153 N -2.03 5.22 -0.33 1.61 0.01 -0.53 -0.51 114.94 118.39 1i3h s ASN 153 Ca 0.00 -0.47 -0.12 0.00 -0.71 0.00 0.00 52.86 51.56 1i3h s ASN 153 Cb 0.00 -1.06 -0.01 0.00 0.41 0.00 0.00 41.25 40.58 1i3h s ASN 153 CO 0.00 -0.22 0.21 -0.22 -1.51 0.00 0.00 177.10 175.36 1i3h s LEU 154 N -3.90 4.37 -0.49 0.60 2.96 -0.56 -1.78 118.68 119.86 1i3h s LEU 154 Ca 0.37 -0.45 -0.15 0.00 -0.22 0.00 0.00 54.13 53.68 1i3h s LEU 154 Cb -0.06 -2.09 0.10 0.00 0.50 0.00 0.00 46.19 44.64 1i3h s LEU 154 CO 0.25 -0.22 0.42 -1.61 -1.32 0.00 0.00 176.35 173.87 1i3h s GLU 155 N 1.68 2.93 0.23 1.98 0.41 0.14 -0.15 118.70 125.93 1i3h s GLU 155 Ca 0.06 -1.51 -0.02 0.00 -0.41 0.00 0.00 54.97 53.08 1i3h s GLU 155 Cb -0.17 -4.16 0.24 0.00 -1.78 0.00 0.00 34.13 28.26 1i3h s GLU 155 CO 0.09 -1.14 1.64 -0.07 -0.49 0.00 0.00 175.26 175.29 1i3h h LEU 156 N 8.77 0.68 -9.52 1.80 3.38 -1.66 -1.17 115.31 117.58 1i3h h LEU 156 Ca -0.28 -0.25 -0.61 0.00 0.09 0.00 0.00 57.88 56.82 1i3h h LEU 156 Cb 1.10 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 1i3h h LEU 156 CO 0.93 0.92 -0.65 0.42 0.09 0.00 0.00 178.44 180.15 1i3h s THR 157 N -4.49 2.33 0.21 0.22 -4.23 -1.26 -2.88 115.64 105.54 1i3h s THR 157 Ca -0.08 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.02 1i3h s THR 157 Cb 0.13 -2.73 -0.09 0.00 1.34 0.00 0.00 72.50 71.14 1i3h s THR 157 CO 0.82 -0.18 1.41 -0.60 -0.54 0.00 0.00 174.62 175.54 1i3h s ARG 158 N -3.66 4.30 -0.00 3.99 6.06 -1.26 -4.77 118.95 123.61 1i3h s ARG 158 Ca 0.34 2.22 0.04 0.00 -2.50 0.00 0.00 55.73 55.82 1i3h s ARG 158 Cb 0.02 -3.15 -0.01 0.00 0.06 0.00 0.00 34.95 31.87 1i3h s ARG 158 CO 0.18 -0.40 -0.12 0.08 -2.50 0.00 0.00 175.30 172.54 1i3h s VAL 159 N 0.28 0.93 0.96 7.11 1.01 -1.26 -1.56 120.40 127.87 1i3h s VAL 159 Ca 0.60 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1i3h s VAL 159 Cb -0.40 -0.79 0.17 0.00 0.00 0.00 0.00 36.38 35.36 1i3h s VAL 159 CO 0.39 0.21 1.13 -0.94 0.00 0.00 0.00 175.10 175.89 1i3h s SER 160 N -0.42 3.02 0.54 3.32 1.04 0.43 -4.82 113.70 116.81 1i3h s SER 160 Ca 0.04 0.98 0.31 0.00 0.48 0.00 0.00 55.95 57.75 1i3h s SER 160 Cb -0.05 -1.54 1.48 0.00 0.10 0.00 0.00 66.02 66.01 1i3h s SER 160 CO -0.00 -2.86 1.90 0.77 0.98 0.00 0.00 173.24 174.03 1i3h h SER 161 N -1.71 0.00 -0.28 7.02 4.64 -2.02 0.14 113.55 121.35 1i3h h SER 161 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1i3h h SER 161 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1i3h h SER 161 CO 0.58 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.08 1i3h n ASN 162 N -4.25 2.78 0.00 4.97 2.04 -1.26 -4.95 115.26 114.59 1i3h n ASN 162 Ca 0.17 -1.89 0.00 0.00 -0.44 0.00 0.00 54.58 52.42 1i3h n ASN 162 Cb 0.92 -0.17 0.00 0.00 -2.53 0.00 0.00 39.78 38.00 1i3h n ASN 162 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1i3h n GLY 163 N 1.36 0.89 3.67 4.83 0.00 0.04 -5.05 105.19 110.93 1i3h n GLY 163 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1i3h n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i3h s SER 164 N -2.21 7.14 0.50 1.61 0.01 -1.26 -4.76 113.70 114.73 1i3h s SER 164 Ca 0.00 1.49 -0.21 0.00 1.31 0.00 0.00 55.95 58.54 1i3h s SER 164 Cb 0.00 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1i3h s SER 164 CO 0.00 -0.58 1.10 -2.16 0.41 0.00 0.00 173.24 172.01 1i3h s PRO 165 N 2.70 3.62 0.07 12.44 0.04 -1.26 -0.43 135.00 152.18 1i3h s PRO 165 Ca 0.47 1.56 0.05 0.00 0.04 0.00 0.00 61.00 63.12 1i3h s PRO 165 Cb -0.17 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1i3h s PRO 165 CO 0.12 -0.61 -0.05 -0.65 0.04 0.00 0.00 177.00 175.85 1i3h s GLN 166 N -3.11 2.43 0.94 4.56 -1.52 -0.60 -4.81 119.66 117.55 1i3h s GLN 166 Ca 0.68 -0.85 -0.14 0.00 -1.95 0.00 0.00 55.36 53.10 1i3h s GLN 166 Cb -0.22 -2.47 0.16 0.00 -0.22 0.00 0.00 33.01 30.26 1i3h s GLN 166 CO 0.26 0.55 1.17 0.20 -0.25 0.00 0.00 175.29 177.22 1i3h s GLY 167 N -2.03 1.61 -1.49 3.09 0.00 -1.26 -4.40 107.32 102.84 1i3h s GLY 167 Ca 0.22 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 44.18 1i3h s GLY 167 CO 0.14 -0.08 0.54 1.44 0.00 0.00 0.00 173.10 175.14 1i3h n SER 168 N -3.81 -1.32 -4.41 1.64 7.64 -0.25 -4.83 113.62 108.29 1i3h n SER 168 Ca 0.09 -1.00 -0.29 0.00 1.01 0.00 0.00 58.87 58.68 1i3h n SER 168 Cb 0.60 -3.00 -0.13 0.00 -1.01 0.00 0.00 64.21 60.67 1i3h n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1i3h s SER 169 N -4.03 3.40 -0.12 6.43 0.15 -1.17 -4.95 113.70 113.41 1i3h s SER 169 Ca 0.23 -0.74 -0.11 0.00 0.70 0.00 0.00 55.95 56.03 1i3h s SER 169 Cb -0.13 -0.26 0.03 0.00 -1.71 0.00 0.00 66.02 63.95 1i3h s SER 169 CO 0.90 0.17 0.32 0.54 1.20 0.00 0.00 173.24 176.38 1i3h s VAL 170 N -1.12 0.00 0.07 4.45 0.11 -1.26 -0.91 120.40 121.74 1i3h s VAL 170 Ca 0.15 -0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.93 1i3h s VAL 170 Cb -0.10 -0.46 0.07 0.00 -1.53 0.00 0.00 36.38 34.37 1i3h s VAL 170 CO 0.07 -0.00 0.66 -0.83 -3.33 0.00 0.00 175.10 171.66 1i3h s GLY 171 N 0.16 -0.59 0.05 6.54 0.00 -0.77 -0.59 107.32 112.13 1i3h s GLY 171 Ca -0.00 0.83 -0.05 0.00 0.00 0.00 0.00 44.72 45.50 1i3h s GLY 171 CO 0.00 0.44 0.08 0.50 0.00 0.00 0.00 173.10 174.12 1i3h s ARG 172 N -2.86 0.65 -0.06 2.90 0.52 -0.60 -1.60 118.95 117.91 1i3h s ARG 172 Ca -0.02 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 1i3h s ARG 172 Cb -0.01 0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.73 1i3h s ARG 172 CO -0.05 -0.16 -0.04 0.00 0.02 0.00 0.00 175.30 175.07 1i3h s ALA 173 N -3.29 0.80 -0.04 2.13 0.00 0.02 -0.65 121.76 120.73 1i3h s ALA 173 Ca 0.01 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.86 1i3h s ALA 173 Cb 0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1i3h s ALA 173 CO -0.08 -0.21 -0.17 -0.51 0.00 0.00 0.00 175.76 174.79 1i3h s LEU 174 N 1.35 2.56 0.37 0.00 1.02 -0.15 -0.78 118.68 123.06 1i3h s LEU 174 Ca -0.04 -0.27 -0.27 0.00 0.02 0.00 0.00 54.13 53.57 1i3h s LEU 174 Cb -0.13 -1.50 -0.09 0.00 0.02 0.00 0.00 46.19 44.48 1i3h s LEU 174 CO -0.03 0.34 1.30 0.12 0.02 0.00 0.00 176.35 178.10 1i3h s PHE 175 N -0.70 2.93 0.13 0.29 5.36 -0.36 -0.55 117.98 125.08 1i3h s PHE 175 Ca 0.11 1.42 -0.14 0.00 -0.96 0.00 0.00 56.93 57.36 1i3h s PHE 175 Cb -0.10 -3.66 -0.01 0.00 -0.34 0.00 0.00 43.02 38.90 1i3h s PHE 175 CO 0.00 -1.95 1.56 -0.92 -1.46 0.00 0.00 175.22 172.45 1i3h h TYR 176 N 2.97 0.86 -3.57 10.12 3.20 -1.41 -3.43 116.97 125.72 1i3h h TYR 176 Ca -0.49 -0.17 -0.51 0.00 3.14 0.00 0.00 58.73 60.70 1i3h h TYR 176 Cb 1.24 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1i3h h TYR 176 CO 0.54 0.87 0.42 0.00 -1.64 0.00 0.00 178.16 178.35 1i3h s ALA 177 N -4.91 3.31 0.70 1.82 0.00 -1.26 -5.03 121.76 116.39 1i3h s ALA 177 Ca -0.13 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 1i3h s ALA 177 Cb 0.11 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1i3h s ALA 177 CO 0.81 -0.10 1.02 -2.30 0.00 0.00 0.00 175.76 175.19 1i3h n PRO 178 N 2.54 0.61 -5.23 0.00 -0.02 -1.26 -4.81 135.00 126.82 1i3h n PRO 178 Ca 0.02 0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 1i3h n PRO 178 Cb 0.48 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.53 1i3h n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i3h s VAL 179 N -1.74 2.12 -0.62 -1.45 1.01 0.24 -4.94 120.40 115.01 1i3h s VAL 179 Ca 0.75 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 1i3h s VAL 179 Cb -0.35 -1.78 0.08 0.00 0.00 0.00 0.00 36.38 34.33 1i3h s VAL 179 CO 0.49 0.57 0.85 -2.28 0.00 0.00 0.00 175.10 174.72 1i3h s HIS 180 N -0.06 2.82 -0.12 5.22 2.46 -1.26 -1.25 115.29 123.09 1i3h s HIS 180 Ca -0.06 -0.70 0.17 0.00 0.47 0.00 0.00 55.06 54.93 1i3h s HIS 180 Cb -0.15 -4.15 -0.15 0.00 -0.13 0.00 0.00 32.58 28.01 1i3h s HIS 180 CO 0.05 -1.48 0.79 1.51 -2.47 0.00 0.00 174.74 173.14 1i3h n ILE 181 N 5.77 1.20 -3.73 0.89 0.13 0.02 -4.80 119.36 118.85 1i3h n ILE 181 Ca -0.06 -0.70 -0.10 0.00 -1.10 0.00 0.00 62.75 60.79 1i3h n ILE 181 Cb 0.44 -0.74 -0.05 0.00 -0.84 0.00 0.00 39.64 38.45 1i3h n ILE 181 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 1i3h s TRP 182 N -2.90 -0.08 -0.01 9.51 1.48 -1.21 -4.82 118.94 120.91 1i3h s TRP 182 Ca -0.03 -0.26 -0.13 0.00 -1.06 0.00 0.00 56.10 54.62 1i3h s TRP 182 Cb 0.09 0.27 0.02 0.00 -1.16 0.00 0.00 33.47 32.69 1i3h s TRP 182 CO 0.81 -0.80 0.27 -1.83 -4.06 0.00 0.00 176.95 171.35 1i3h s GLU 183 N -3.86 0.63 0.34 3.25 -1.05 -1.26 -4.74 118.70 112.00 1i3h s GLU 183 Ca 0.08 -0.22 0.08 0.00 -0.15 0.00 0.00 54.97 54.75 1i3h s GLU 183 Cb 0.01 0.27 0.79 0.00 -0.44 0.00 0.00 34.13 34.76 1i3h s GLU 183 CO -0.06 -0.17 1.83 1.03 0.95 0.00 0.00 175.26 178.84 1i3h h SER 184 N 3.98 0.71 -0.09 0.83 0.87 -2.02 -2.37 113.55 115.46 1i3h h SER 184 Ca -0.30 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 1i3h h SER 184 Cb 1.18 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 1i3h h SER 184 CO 0.40 0.32 -0.15 -1.20 -0.53 0.00 0.00 176.83 175.67 1i3h n SER 185 N -4.63 2.43 -4.78 6.23 7.64 -1.26 -5.03 113.62 114.23 1i3h n SER 185 Ca 0.20 -3.40 -0.37 0.00 1.01 0.00 0.00 58.87 56.31 1i3h n SER 185 Cb 0.52 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 1i3h n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i3h s ALA 186 N -3.02 3.02 -0.03 -0.43 0.00 -0.89 -4.48 121.76 115.92 1i3h s ALA 186 Ca 0.37 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 52.95 1i3h s ALA 186 Cb 0.33 -3.33 -0.30 0.00 0.00 0.00 0.00 23.12 19.82 1i3h s ALA 186 CO 0.01 -0.46 0.95 0.28 0.00 0.00 0.00 175.76 176.53 1i3h h VAL 187 N 1.99 1.48 -2.85 0.00 2.07 -0.61 -3.47 116.25 114.86 1i3h h VAL 187 Ca -0.49 -2.44 -0.12 0.00 0.82 0.00 0.00 66.70 64.48 1i3h h VAL 187 Cb 1.23 3.05 -0.22 0.00 -1.52 0.00 0.00 31.29 33.83 1i3h h VAL 187 CO 0.61 0.70 -0.24 0.54 0.02 0.00 0.00 177.57 179.19 1i3h s VAL 188 N -2.62 0.02 0.02 2.57 0.11 -1.12 -4.91 120.40 114.46 1i3h s VAL 188 Ca -0.13 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1i3h s VAL 188 Cb 0.02 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1i3h s VAL 188 CO 0.83 -0.11 -0.04 0.00 -3.33 0.00 0.00 175.10 172.46 1i3h s ALA 189 N -0.53 0.23 0.09 1.54 0.00 -1.26 -0.60 121.76 121.23 1i3h s ALA 189 Ca -0.06 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.23 1i3h s ALA 189 Cb -0.04 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.20 1i3h s ALA 189 CO 0.03 -0.08 0.42 -1.54 0.00 0.00 0.00 175.76 174.59 1i3h s SER 190 N -1.10 -0.28 0.12 0.00 1.04 -0.56 -0.53 113.70 112.39 1i3h s SER 190 Ca -0.10 -0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.11 1i3h s SER 190 Cb -0.07 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1i3h s SER 190 CO -0.00 -0.77 0.18 0.72 0.98 0.00 0.00 173.24 174.35 1i3h s PHE 191 N -3.17 0.35 -0.03 5.02 -0.12 -0.39 -1.00 117.98 118.64 1i3h s PHE 191 Ca -0.01 -0.77 -0.11 0.00 -0.05 0.00 0.00 56.93 55.99 1i3h s PHE 191 Cb 0.01 -0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.27 1i3h s PHE 191 CO -0.07 -0.59 0.25 -1.83 -0.05 0.00 0.00 175.22 172.93 1i3h s GLU 192 N -3.92 0.53 0.04 1.99 -1.05 -0.19 -1.76 118.70 114.34 1i3h s GLU 192 Ca 0.11 -0.12 0.02 0.00 -0.15 0.00 0.00 54.97 54.84 1i3h s GLU 192 Cb 0.05 0.24 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 1i3h s GLU 192 CO -0.06 -0.13 -0.07 0.00 0.95 0.00 0.00 175.26 175.95 1i3h s ALA 193 N -1.00 0.50 0.00 -0.84 0.00 -0.10 -0.97 121.76 119.36 1i3h s ALA 193 Ca -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1i3h s ALA 193 Cb -0.05 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 1i3h s ALA 193 CO 0.03 -0.03 -0.01 0.99 0.00 0.00 0.00 175.76 176.74 1i3h s THR 194 N -1.30 0.05 0.02 0.00 2.01 -0.56 -0.55 115.64 115.31 1i3h s THR 194 Ca -0.10 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 1i3h s THR 194 Cb -0.09 -0.06 0.00 0.00 0.01 0.00 0.00 72.50 72.35 1i3h s THR 194 CO 0.00 -0.03 0.16 0.72 -0.69 0.00 0.00 174.62 174.78 1i3h s PHE 195 N -0.12 0.07 0.07 4.92 -0.71 -0.54 -0.64 117.98 121.03 1i3h s PHE 195 Ca -0.01 -0.26 0.08 0.00 -1.04 0.00 0.00 56.93 55.70 1i3h s PHE 195 Cb -0.01 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1i3h s PHE 195 CO -0.00 -0.37 -0.18 0.95 -1.34 0.00 0.00 175.22 174.28 1i3h s THR 196 N -2.14 2.82 0.05 -4.49 -4.23 -0.63 -0.88 115.64 106.13 1i3h s THR 196 Ca -0.09 -1.30 -0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1i3h s THR 196 Cb -0.03 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.59 1i3h s THR 196 CO -0.02 0.25 0.22 0.72 -0.54 0.00 0.00 174.62 175.25 1i3h s PHE 197 N -1.01 0.04 -0.24 3.99 -0.71 -0.37 -0.90 117.98 118.77 1i3h s PHE 197 Ca 0.16 -0.27 -0.02 0.00 -1.04 0.00 0.00 56.93 55.76 1i3h s PHE 197 Cb -0.11 -0.01 0.08 0.00 -1.21 0.00 0.00 43.02 41.77 1i3h s PHE 197 CO 0.07 -0.47 0.05 -1.17 -1.34 0.00 0.00 175.22 172.36 1i3h s LEU 198 N -2.21 1.79 -0.32 -1.99 2.96 0.06 -0.88 118.68 118.08 1i3h s LEU 198 Ca -0.03 -1.19 -0.09 0.00 -0.22 0.00 0.00 54.13 52.60 1i3h s LEU 198 Cb -0.00 -0.79 0.01 0.00 0.50 0.00 0.00 46.19 45.91 1i3h s LEU 198 CO -0.05 -0.34 0.15 -0.63 -1.32 0.00 0.00 176.35 174.16 1i3h s ILE 199 N 1.70 4.42 0.01 6.68 1.01 -1.26 -2.71 121.20 131.04 1i3h s ILE 199 Ca 0.02 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1i3h s ILE 199 Cb -0.17 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 1i3h s ILE 199 CO -0.14 -0.01 -0.13 -0.75 0.00 0.00 0.00 174.94 173.90 1i3h s LYS 200 N 1.56 1.00 -0.04 2.79 2.20 -1.25 -0.70 119.74 125.30 1i3h s LYS 200 Ca 0.03 -0.56 -0.22 0.00 -0.36 0.00 0.00 55.97 54.85 1i3h s LYS 200 Cb -0.18 -0.97 0.05 0.00 -1.51 0.00 0.00 37.83 35.21 1i3h s LYS 200 CO 0.05 0.26 0.49 0.45 -0.36 0.00 0.00 175.35 176.24 1i3h s SER 201 N -0.60 -0.42 0.19 1.43 0.15 -1.26 -0.41 113.70 112.77 1i3h s SER 201 Ca 0.04 0.42 0.26 0.00 0.70 0.00 0.00 55.95 57.37 1i3h s SER 201 Cb -0.06 0.45 0.87 0.00 -1.71 0.00 0.00 66.02 65.58 1i3h s SER 201 CO 0.00 -0.51 1.79 -0.81 1.20 0.00 0.00 173.24 174.91 1i3h n PRO 202 N 1.18 0.22 -2.93 5.44 -0.04 -1.26 -4.87 135.00 132.75 1i3h n PRO 202 Ca -0.20 0.21 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 1i3h n PRO 202 Cb 0.56 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 1i3h n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1i3h s ASP 203 N -4.31 7.11 0.48 3.54 1.01 -1.26 -4.95 116.67 118.28 1i3h s ASP 203 Ca 0.10 1.62 0.27 0.00 0.71 0.00 0.00 52.55 55.25 1i3h s ASP 203 Cb 0.13 -2.50 1.11 0.00 1.01 0.00 0.00 42.92 42.67 1i3h s ASP 203 CO 0.57 -0.11 1.90 0.28 0.21 0.00 0.00 175.17 178.02 1i3h h SER 204 N 2.88 0.00 -2.93 0.27 0.02 -1.97 -3.32 113.55 108.50 1i3h h SER 204 Ca -0.48 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.86 1i3h h SER 204 Cb 1.19 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.32 1i3h h SER 204 CO 0.64 0.15 -0.74 -1.00 -1.14 0.00 0.00 176.83 174.75 1i3h s HIS 205 N -3.72 2.49 0.88 3.45 3.76 -1.26 -5.12 115.29 115.78 1i3h s HIS 205 Ca 0.00 -2.87 -0.13 0.00 -0.15 0.00 0.00 55.06 51.92 1i3h s HIS 205 Cb 0.10 -1.98 0.06 0.00 1.11 0.00 0.00 32.58 31.87 1i3h s HIS 205 CO 0.60 -0.68 0.80 -2.30 -0.85 0.00 0.00 174.74 172.31 1i3h n PRO 206 N 2.51 -0.13 -3.59 8.40 -0.02 -1.25 -4.65 135.00 136.26 1i3h n PRO 206 Ca 0.21 0.02 -0.13 0.00 -2.02 0.00 0.00 63.50 61.58 1i3h n PRO 206 Cb 0.39 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1i3h n PRO 206 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i3h s ALA 207 N -2.32 -1.22 -0.03 3.55 0.00 -1.19 -4.07 121.76 116.48 1i3h s ALA 207 Ca 0.65 0.44 0.05 0.00 0.00 0.00 0.00 51.96 53.09 1i3h s ALA 207 Cb -0.25 0.45 -0.07 0.00 0.00 0.00 0.00 23.12 23.25 1i3h s ALA 207 CO 0.60 -0.53 0.05 -0.25 0.00 0.00 0.00 175.76 175.63 1i3h n ASP 208 N 0.29 3.83 0.00 0.00 8.00 -0.01 -2.62 116.55 126.05 1i3h n ASP 208 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1i3h n ASP 208 Cb 0.61 0.84 0.00 0.00 -0.02 0.00 0.00 41.12 42.55 1i3h n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i3h n GLY 209 N 2.53 0.04 3.23 0.44 0.00 -1.20 -2.14 105.19 108.10 1i3h n GLY 209 Ca -0.05 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 1i3h n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i3h s ILE 210 N -1.28 1.51 0.02 -0.61 1.01 -0.70 -2.47 121.20 118.67 1i3h s ILE 210 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 60.65 59.42 1i3h s ILE 210 Cb 0.00 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 1i3h s ILE 210 CO 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 174.94 174.95 1i3h s ALA 211 N -0.93 0.40 -0.09 9.38 0.00 0.64 -0.04 121.76 131.12 1i3h s ALA 211 Ca 0.05 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 1i3h s ALA 211 Cb -0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1i3h s ALA 211 CO 0.02 0.02 0.40 0.12 0.00 0.00 0.00 175.76 176.32 1i3h s PHE 212 N -0.72 3.58 0.05 0.00 5.36 -0.61 -0.68 117.98 124.95 1i3h s PHE 212 Ca -0.05 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 56.75 1i3h s PHE 212 Cb -0.06 -2.39 -0.04 0.00 -0.34 0.00 0.00 43.02 40.20 1i3h s PHE 212 CO -0.00 0.37 -0.02 -0.59 -1.46 0.00 0.00 175.22 173.51 1i3h s PHE 213 N -0.05 0.50 -0.05 10.12 -0.71 0.03 -0.91 117.98 126.92 1i3h s PHE 213 Ca 0.22 -1.04 0.02 0.00 -1.04 0.00 0.00 56.93 55.10 1i3h s PHE 213 Cb -0.15 -0.37 0.01 0.00 -1.21 0.00 0.00 43.02 41.30 1i3h s PHE 213 CO 0.09 -0.38 -0.12 0.42 -1.34 0.00 0.00 175.22 173.90 1i3h s ILE 214 N -3.87 1.05 0.20 -4.49 1.01 0.20 -1.07 121.20 114.23 1i3h s ILE 214 Ca 0.06 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 1i3h s ILE 214 Cb 0.08 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 1i3h s ILE 214 CO -0.10 0.33 0.30 -0.94 0.00 0.00 0.00 174.94 174.53 1i3h s SER 215 N 0.49 0.04 0.57 3.58 1.04 -0.29 -1.53 113.70 117.59 1i3h s SER 215 Ca -0.10 -1.07 -0.18 0.00 0.48 0.00 0.00 55.95 55.08 1i3h s SER 215 Cb -0.14 0.47 -0.08 0.00 0.10 0.00 0.00 66.02 66.37 1i3h s SER 215 CO 0.02 -0.96 0.61 -0.46 0.98 0.00 0.00 173.24 173.44 1i3h n ASN 216 N -0.29 -0.67 -0.21 7.02 6.94 -1.17 -1.12 115.26 125.76 1i3h n ASN 216 Ca -0.02 0.76 0.06 0.00 -0.02 0.00 0.00 54.58 55.36 1i3h n ASN 216 Cb 0.64 -1.21 0.32 0.00 -2.36 0.00 0.00 39.78 37.16 1i3h n ASN 216 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1i3h h ILE 217 N 0.33 1.04 -0.44 1.53 2.04 -1.86 -2.15 117.51 118.00 1i3h h ILE 217 Ca -0.46 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 1i3h h ILE 217 Cb 1.39 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1i3h h ILE 217 CO 0.48 0.15 0.08 -0.90 0.00 0.00 0.00 178.15 177.96 1i3h n ASP 218 N -4.48 4.10 -4.77 1.72 5.75 -1.26 -4.74 116.55 112.87 1i3h n ASP 218 Ca 0.11 -2.71 -0.40 0.00 -0.01 0.00 0.00 54.79 51.78 1i3h n ASP 218 Cb 0.21 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1i3h n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1i3h s SER 219 N -0.53 6.19 0.12 -1.12 0.15 -0.81 -5.02 113.70 112.68 1i3h s SER 219 Ca 0.37 2.93 0.02 0.00 0.70 0.00 0.00 55.95 59.97 1i3h s SER 219 Cb 0.29 -2.66 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 1i3h s SER 219 CO 0.10 -0.97 -0.04 -0.94 1.20 0.00 0.00 173.24 172.59 1i3h s SER 220 N -0.38 1.15 0.06 5.45 1.04 -1.26 -5.09 113.70 114.66 1i3h s SER 220 Ca 0.56 -1.06 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 1i3h s SER 220 Cb -0.44 0.11 -0.09 0.00 0.10 0.00 0.00 66.02 65.70 1i3h s SER 220 CO 0.58 -0.50 1.90 -0.63 0.98 0.00 0.00 173.24 175.56 1i3h s ILE 221 N -3.64 2.92 0.38 -1.02 1.01 -1.26 -4.94 121.20 114.65 1i3h s ILE 221 Ca 0.16 0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.64 1i3h s ILE 221 Cb 0.05 -3.06 -0.09 0.00 0.01 0.00 0.00 42.46 39.37 1i3h s ILE 221 CO -0.02 -0.01 1.31 -2.84 0.00 0.00 0.00 174.94 173.39 1i3h s PRO 222 N 3.89 4.09 0.09 2.79 0.02 -1.26 -4.91 135.00 139.70 1i3h s PRO 222 Ca 0.85 2.19 -0.36 0.00 0.02 0.00 0.00 61.00 63.70 1i3h s PRO 222 Cb -0.43 -2.86 -0.16 0.00 0.02 0.00 0.00 34.50 31.08 1i3h s PRO 222 CO 0.39 -0.40 1.42 0.43 -0.33 0.00 0.00 177.00 178.51 1i3h n SER 223 N 0.34 2.07 0.00 2.53 7.64 -1.26 -2.33 113.62 122.61 1i3h n SER 223 Ca 0.02 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1i3h n SER 223 Cb 0.43 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1i3h n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i3h n GLY 224 N 2.84 0.72 1.31 0.23 0.00 -1.26 -4.86 105.19 104.17 1i3h n GLY 224 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 1i3h n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i3h n SER 225 N 0.00 3.15 -3.96 1.61 3.41 -0.98 -4.85 113.62 112.00 1i3h n SER 225 Ca 0.00 -2.43 -0.30 0.00 -0.26 0.00 0.00 58.87 55.88 1i3h n SER 225 Cb 0.00 -0.59 0.23 0.00 -0.26 0.00 0.00 64.21 63.59 1i3h n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1i3h s THR 226 N -0.95 1.66 0.00 6.66 -4.23 -1.26 -0.54 115.64 116.98 1i3h s THR 226 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 1i3h s THR 226 Cb 0.13 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1i3h s THR 226 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1i3h n GLY 227 N -0.80 2.68 0.33 3.99 0.00 -0.30 -2.87 105.19 108.22 1i3h n GLY 227 Ca 0.11 -0.33 0.20 0.00 0.00 0.00 0.00 46.02 46.00 1i3h n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1i3h h ARG 228 N 0.00 0.00 -0.01 1.61 0.11 -1.89 -2.21 114.38 111.99 1i3h h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1i3h h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1i3h h ARG 228 CO 0.00 0.00 -0.13 1.28 0.10 0.00 0.00 179.97 181.22 1i3h n LEU 229 N -3.36 0.97 -1.77 0.08 4.77 -1.14 -4.94 117.00 111.60 1i3h n LEU 229 Ca -0.03 -0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 55.49 1i3h n LEU 229 Cb 0.09 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1i3h n LEU 229 CO 0.23 0.17 -0.21 0.18 -1.33 0.00 0.00 177.39 176.42 1i3h n LEU 230 N -0.51 -1.61 0.00 2.23 4.77 -0.83 -1.28 117.00 119.77 1i3h n LEU 230 Ca 0.15 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1i3h n LEU 230 Cb 0.32 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.52 1i3h n LEU 230 CO 0.22 -0.92 0.00 0.61 -1.33 0.00 0.00 177.39 175.98 1i3h n GLY 231 N -0.52 0.38 0.06 -0.72 0.00 0.30 -4.07 105.19 100.62 1i3h n GLY 231 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 1i3h n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i3h n LEU 232 N 0.00 1.29 -4.21 0.99 4.77 -0.40 -4.37 117.00 115.07 1i3h n LEU 232 Ca 0.00 -0.03 -0.19 0.00 -0.03 0.00 0.00 56.01 55.76 1i3h n LEU 232 Cb 0.15 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 1i3h n LEU 232 CO 0.00 0.46 -0.47 -0.36 -1.33 0.00 0.00 177.39 175.70 1i3h s PHE 233 N -2.26 1.36 -0.62 -1.77 0.08 -1.19 -4.79 117.98 108.79 1i3h s PHE 233 Ca -0.11 -0.47 0.25 0.00 0.12 0.00 0.00 56.93 56.72 1i3h s PHE 233 Cb 0.04 -0.75 0.60 0.00 -0.57 0.00 0.00 43.02 42.33 1i3h s PHE 233 CO 0.38 0.10 1.65 -1.00 -0.10 0.00 0.00 175.22 176.26 1i3h h PRO 234 N 4.08 0.00 -3.17 0.24 0.13 -1.91 -3.42 132.00 127.95 1i3h h PRO 234 Ca -0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.66 1i3h h PRO 234 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1i3h h PRO 234 CO 0.42 0.00 0.20 0.16 -0.23 0.00 0.00 178.00 178.55 1i3h s ASP 235 N -5.01 0.13 -0.29 1.44 1.47 -1.26 -4.90 116.67 108.24 1i3h s ASP 235 Ca 0.09 -1.17 0.10 0.00 1.18 0.00 0.00 52.55 52.75 1i3h s ASP 235 Cb 0.10 0.82 0.74 0.00 -0.34 0.00 0.00 42.92 44.24 1i3h s ASP 235 CO 0.64 -1.61 1.75 0.00 0.68 0.00 0.00 175.17 176.62 1i3h n ALA 236 N -0.53 4.35 0.63 2.11 0.00 -1.26 -4.70 120.51 121.11 1i3h n ALA 236 Ca -0.07 -2.12 0.05 0.00 0.00 0.00 0.00 53.44 51.30 1i3h n ALA 236 Cb 0.60 -1.22 0.30 0.00 0.00 0.00 0.00 19.45 19.13 1i3h n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59