#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2k s PHE 2 N 0.00 1.90 -0.37 1.12 0.40 -1.20 -4.62 117.98 115.20 1i2k s PHE 2 Ca 0.00 -0.42 -0.09 0.00 -0.60 0.00 0.00 56.93 55.81 1i2k s PHE 2 Cb 0.00 -1.00 0.04 0.00 0.51 0.00 0.00 43.02 42.57 1i2k s PHE 2 CO 0.00 0.28 0.18 -1.17 0.70 0.00 0.00 175.22 175.22 1i2k s LEU 3 N -2.22 4.68 -0.19 -0.37 2.96 -0.55 -2.00 118.68 120.99 1i2k s LEU 3 Ca 0.11 -1.13 -0.02 0.00 -0.22 0.00 0.00 54.13 52.88 1i2k s LEU 3 Cb -0.09 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.63 1i2k s LEU 3 CO 0.06 -0.39 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.96 1i2k s ILE 4 N 1.49 2.94 -1.69 6.68 1.01 -0.29 -0.84 121.20 130.51 1i2k s ILE 4 Ca 0.01 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 1i2k s ILE 4 Cb -0.20 -2.29 0.15 0.00 0.01 0.00 0.00 42.46 40.12 1i2k s ILE 4 CO 0.05 0.48 0.73 0.59 0.00 0.00 0.00 174.94 176.79 1i2k n ASN 5 N 4.47 -2.91 0.00 3.58 3.02 -0.20 -2.00 115.26 121.22 1i2k n ASN 5 Ca -0.19 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1i2k n ASN 5 Cb 0.51 -2.70 0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1i2k n ASN 5 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i2k n GLY 6 N -1.45 1.23 3.11 7.41 0.00 -1.26 -5.05 105.19 109.18 1i2k n GLY 6 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1i2k n GLY 6 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1i2k s HIS 7 N -2.30 0.65 0.18 1.61 -3.43 -0.85 -5.10 115.29 106.06 1i2k s HIS 7 Ca 0.00 -1.10 -0.30 0.00 -0.80 0.00 0.00 55.06 52.86 1i2k s HIS 7 Cb 0.00 -0.43 -0.08 0.00 -1.43 0.00 0.00 32.58 30.64 1i2k s HIS 7 CO 0.00 -0.39 1.20 0.15 -2.00 0.00 0.00 174.74 173.70 1i2k s LYS 8 N -3.95 4.48 -0.13 -0.38 3.01 -1.26 -1.13 119.74 120.38 1i2k s LYS 8 Ca 0.12 1.88 -0.10 0.00 -1.01 0.00 0.00 55.97 56.86 1i2k s LYS 8 Cb 0.08 -3.25 0.04 0.00 -1.01 0.00 0.00 37.83 33.69 1i2k s LYS 8 CO -0.06 -0.11 0.32 -0.65 0.51 0.00 0.00 175.35 175.36 1i2k s GLN 9 N -0.13 0.35 0.07 1.68 -0.21 -0.84 -4.90 119.66 115.67 1i2k s GLN 9 Ca 0.53 0.52 0.21 0.00 0.02 0.00 0.00 55.36 56.65 1i2k s GLN 9 Cb -0.33 0.09 -0.16 0.00 1.00 0.00 0.00 33.01 33.62 1i2k s GLN 9 CO 0.36 -0.09 0.74 0.39 -2.12 0.00 0.00 175.29 174.58 1i2k n GLU 10 N 3.37 0.63 -4.29 2.91 -0.58 -1.26 -3.26 120.64 118.17 1i2k n GLU 10 Ca -0.17 0.01 -0.15 0.00 -0.42 0.00 0.00 57.16 56.42 1i2k n GLU 10 Cb 0.56 -1.69 -0.10 0.00 -0.57 0.00 0.00 31.44 29.64 1i2k n GLU 10 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1i2k s SER 11 N -5.10 1.56 0.04 1.62 1.04 -1.26 -4.97 113.70 106.63 1i2k s SER 11 Ca -0.04 -1.20 0.04 0.00 0.48 0.00 0.00 55.95 55.23 1i2k s SER 11 Cb 0.11 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1i2k s SER 11 CO 0.84 -0.53 -0.11 -0.22 0.98 0.00 0.00 173.24 174.20 1i2k s LEU 12 N -3.25 2.20 0.14 2.42 2.96 -1.26 -5.08 118.68 116.81 1i2k s LEU 12 Ca 0.26 -0.48 -0.34 0.00 -0.22 0.00 0.00 54.13 53.35 1i2k s LEU 12 Cb 0.06 -0.40 -0.16 0.00 0.50 0.00 0.00 46.19 46.19 1i2k s LEU 12 CO 0.07 -0.07 1.24 0.00 -1.32 0.00 0.00 176.35 176.27 1i2k n ALA 13 N 1.74 -0.82 0.24 5.97 0.00 -1.26 -4.83 120.51 121.55 1i2k n ALA 13 Ca -0.20 0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.81 1i2k n ALA 13 Cb 0.55 -2.05 0.58 0.00 0.00 0.00 0.00 19.45 18.53 1i2k n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1i2k h VAL 14 N 2.94 0.88 0.00 0.00 2.07 -2.04 -1.92 116.25 118.18 1i2k h VAL 14 Ca -0.45 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1i2k h VAL 14 Cb 1.34 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1i2k h VAL 14 CO 0.73 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 176.96 1i2k n SER 15 N -3.96 0.00 -4.74 0.57 3.41 -1.26 -4.68 113.62 102.96 1i2k n SER 15 Ca -0.02 -0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 57.90 1i2k n SER 15 Cb 0.27 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1i2k n SER 15 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1i2k n ASP 16 N -1.18 3.53 0.00 4.04 -0.08 -0.73 -4.41 116.55 117.72 1i2k n ASP 16 Ca 0.13 1.19 0.10 0.00 -1.51 0.00 0.00 54.79 54.71 1i2k n ASP 16 Cb 0.14 -1.57 0.47 0.00 2.34 0.00 0.00 41.12 42.50 1i2k n ASP 16 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1i2k n ARG 17 N 1.07 0.04 -0.05 -0.67 1.74 -0.38 -1.32 116.66 117.08 1i2k n ARG 17 Ca 0.05 0.12 -0.11 0.00 -0.77 0.00 0.00 57.85 57.14 1i2k n ARG 17 Cb 0.37 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 1i2k n ARG 17 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i2k h ALA 18 N 2.78 0.24 -0.45 7.54 0.00 -1.82 -0.91 119.26 126.65 1i2k h ALA 18 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1i2k h ALA 18 Cb 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1i2k h ALA 18 CO 0.00 -0.18 -0.02 1.15 0.00 0.00 0.00 179.25 180.20 1i2k h THR 19 N 0.16 1.24 0.09 0.00 2.02 -1.52 -0.89 112.91 114.01 1i2k h THR 19 Ca 0.06 -1.00 -0.29 0.00 0.77 0.00 0.00 66.41 65.96 1i2k h THR 19 Cb 0.15 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1i2k h THR 19 CO -0.01 0.35 -1.47 1.56 0.37 0.00 0.00 175.52 176.32 1i2k h GLN 20 N 0.69 0.19 0.00 6.66 1.08 -1.37 -3.41 115.11 118.95 1i2k h GLN 20 Ca 0.13 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1i2k h GLN 20 Cb 0.45 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1i2k h GLN 20 CO 0.02 1.03 0.00 1.19 -0.95 0.00 0.00 178.83 180.12 1i2k n PHE 21 N -3.39 0.00 -2.69 2.96 3.72 -0.61 -4.98 117.46 112.46 1i2k n PHE 21 Ca -0.14 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.05 1i2k n PHE 21 Cb 1.03 0.02 0.01 0.00 -0.94 0.00 0.00 39.48 39.60 1i2k n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i2k n GLY 22 N 0.00 -0.48 3.54 1.37 0.00 -0.34 -4.87 105.19 104.40 1i2k n GLY 22 Ca 0.00 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1i2k n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i2k s ASP 23 N -2.40 6.87 0.00 1.61 2.15 -0.44 -4.12 116.67 120.34 1i2k s ASP 23 Ca 0.15 -2.51 0.00 0.00 0.43 0.00 0.00 52.55 50.62 1i2k s ASP 23 Cb -0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1i2k s ASP 23 CO 0.18 -1.07 0.00 0.61 -0.17 0.00 0.00 175.17 174.72 1i2k n GLY 24 N 5.16 -1.32 3.30 2.66 0.00 -1.26 -1.67 105.19 112.06 1i2k n GLY 24 Ca 0.43 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 1i2k n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2k s PHE 26 N -3.81 0.07 0.03 0.00 -0.71 -0.55 -1.28 117.98 111.73 1i2k s PHE 26 Ca 0.37 -0.46 -0.03 0.00 -1.04 0.00 0.00 56.93 55.78 1i2k s PHE 26 Cb 0.04 0.41 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1i2k s PHE 26 CO 0.17 -1.06 0.02 -0.08 -1.34 0.00 0.00 175.22 172.94 1i2k s THR 27 N -3.95 0.15 -0.11 -4.49 -1.32 -0.53 -4.76 115.64 100.63 1i2k s THR 27 Ca 0.15 -1.22 0.01 0.00 -1.21 0.00 0.00 61.69 59.42 1i2k s THR 27 Cb -0.03 -0.86 0.02 0.00 -1.51 0.00 0.00 72.50 70.13 1i2k s THR 27 CO 0.06 -0.68 -0.14 0.42 -2.21 0.00 0.00 174.62 172.07 1i2k s THR 28 N -2.58 1.43 0.10 5.08 -4.23 -1.26 -1.55 115.64 112.63 1i2k s THR 28 Ca -0.05 -0.59 0.10 0.00 -1.18 0.00 0.00 61.69 59.97 1i2k s THR 28 Cb -0.02 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 1i2k s THR 28 CO -0.05 0.43 -0.26 0.00 -0.54 0.00 0.00 174.62 174.20 1i2k s ALA 29 N 1.08 2.38 0.13 3.99 0.00 0.39 -4.69 121.76 125.05 1i2k s ALA 29 Ca -0.05 -1.40 -0.30 0.00 0.00 0.00 0.00 51.96 50.22 1i2k s ALA 29 Cb -0.14 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 1i2k s ALA 29 CO -0.03 0.54 1.00 0.50 0.00 0.00 0.00 175.76 177.78 1i2k s ARG 30 N -1.83 4.67 -0.19 0.00 6.06 -1.26 -0.33 118.95 126.08 1i2k s ARG 30 Ca 0.14 1.52 -0.02 0.00 -2.50 0.00 0.00 55.73 54.87 1i2k s ARG 30 Cb -0.10 -3.35 -0.01 0.00 0.06 0.00 0.00 34.95 31.55 1i2k s ARG 30 CO 0.05 0.18 -0.08 0.08 -2.50 0.00 0.00 175.30 173.03 1i2k s VAL 31 N -0.06 3.14 -0.05 7.11 1.01 -0.45 -0.38 120.40 130.73 1i2k s VAL 31 Ca 0.48 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1i2k s VAL 31 Cb -0.25 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1i2k s VAL 31 CO 0.31 0.47 -0.03 -0.63 0.00 0.00 0.00 175.10 175.22 1i2k s ILE 32 N 1.14 0.46 -1.56 2.22 1.01 -0.60 -1.44 121.20 122.42 1i2k s ILE 32 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 1i2k s ILE 32 Cb -0.14 -0.52 0.09 0.00 0.01 0.00 0.00 42.46 41.90 1i2k s ILE 32 CO -0.02 0.22 0.74 0.47 0.00 0.00 0.00 174.94 176.35 1i2k n ASP 33 N 4.30 -2.83 0.00 3.58 8.00 -0.81 -2.05 116.55 126.75 1i2k n ASP 33 Ca -0.21 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1i2k n ASP 33 Cb 0.51 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 1i2k n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i2k n GLY 34 N -1.64 0.82 3.17 0.44 0.00 -0.04 -5.03 105.19 102.92 1i2k n GLY 34 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1i2k n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i2k s LYS 35 N -0.30 1.05 -0.18 1.61 -0.14 -0.87 -2.87 119.74 118.04 1i2k s LYS 35 Ca 0.00 -0.81 -0.29 0.00 -1.36 0.00 0.00 55.97 53.51 1i2k s LYS 35 Cb 0.00 -1.09 -0.01 0.00 -1.68 0.00 0.00 37.83 35.05 1i2k s LYS 35 CO 0.00 0.27 1.24 0.08 -0.76 0.00 0.00 175.35 176.18 1i2k s VAL 36 N -0.84 4.31 0.31 3.17 1.01 -1.26 -1.56 120.40 125.54 1i2k s VAL 36 Ca 0.03 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 1i2k s VAL 36 Cb -0.08 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 1i2k s VAL 36 CO 0.01 -0.15 1.13 -0.44 0.00 0.00 0.00 175.10 175.65 1i2k s SER 37 N 1.93 7.10 -1.33 3.32 0.01 0.49 -3.50 113.70 121.72 1i2k s SER 37 Ca 0.54 2.31 -0.08 0.00 1.31 0.00 0.00 55.95 60.03 1i2k s SER 37 Cb -0.21 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.41 1i2k s SER 37 CO 0.14 -0.26 1.07 0.18 0.41 0.00 0.00 173.24 174.78 1i2k n LEU 38 N 0.94 -3.26 -0.15 2.44 4.77 -1.26 -4.60 117.00 115.88 1i2k n LEU 38 Ca -0.00 -0.49 -0.05 0.00 -0.03 0.00 0.00 56.01 55.45 1i2k n LEU 38 Cb 0.45 -2.93 0.05 0.00 -2.33 0.00 0.00 43.42 38.65 1i2k n LEU 38 CO 0.54 0.58 0.99 0.25 -1.33 0.00 0.00 177.39 178.42 1i2k h LEU 39 N -2.45 0.29 -1.18 2.23 5.85 -1.97 -1.97 115.31 116.11 1i2k h LEU 39 Ca -0.54 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.13 1i2k h LEU 39 Cb 1.36 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1i2k h LEU 39 CO 0.54 0.20 -0.39 0.28 -0.34 0.00 0.00 178.44 178.73 1i2k h SER 40 N 0.43 0.00 -0.10 1.25 0.02 -1.92 -1.81 113.55 111.42 1i2k h SER 40 Ca 0.21 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1i2k h SER 40 Cb 0.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1i2k h SER 40 CO -0.17 0.39 -0.13 0.00 -1.14 0.00 0.00 176.83 175.77 1i2k h ALA 41 N 1.61 1.28 -0.29 3.77 0.00 -1.76 -0.74 119.26 123.13 1i2k h ALA 41 Ca -0.00 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1i2k h ALA 41 Cb 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1i2k h ALA 41 CO 0.05 0.47 -0.55 0.45 0.00 0.00 0.00 179.25 179.68 1i2k h HIS 42 N 0.41 1.11 -0.44 0.00 -0.00 -0.85 0.82 115.15 116.20 1i2k h HIS 42 Ca 0.08 -0.40 -0.04 0.00 -0.00 0.00 0.00 60.37 60.00 1i2k h HIS 42 Cb 0.48 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1i2k h HIS 42 CO 0.01 1.23 0.11 0.82 -0.00 0.00 0.00 177.93 180.10 1i2k h ILE 43 N 0.68 1.23 -0.72 2.45 1.08 -1.22 -2.29 117.51 118.72 1i2k h ILE 43 Ca 0.01 -0.81 -0.05 0.00 -0.39 0.00 0.00 64.86 63.63 1i2k h ILE 43 Cb 1.16 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 35.80 1i2k h ILE 43 CO 0.12 0.29 0.27 -0.61 -0.69 0.00 0.00 178.15 177.53 1i2k h GLN 44 N 0.58 1.09 -0.39 2.37 4.15 -1.02 -0.67 115.11 121.22 1i2k h GLN 44 Ca 0.14 -0.21 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 1i2k h GLN 44 Cb 0.32 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1i2k h GLN 44 CO 0.00 0.91 -0.12 0.07 -1.93 0.00 0.00 178.83 177.76 1i2k h ARG 45 N 1.04 0.70 -0.63 1.69 -0.00 -0.65 -1.08 114.38 115.46 1i2k h ARG 45 Ca 0.24 -0.23 -0.09 0.00 -0.00 0.00 0.00 59.98 59.90 1i2k h ARG 45 Cb 0.24 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 30.13 1i2k h ARG 45 CO -0.02 0.80 0.02 -0.07 -0.00 0.00 0.00 179.97 180.70 1i2k h LEU 46 N 0.63 1.06 -0.39 0.08 3.38 -1.06 -1.24 115.31 117.78 1i2k h LEU 46 Ca 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1i2k h LEU 46 Cb 0.57 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1i2k h LEU 46 CO 0.04 1.10 0.21 1.56 0.09 0.00 0.00 178.44 181.43 1i2k h GLN 47 N 1.00 0.54 -0.51 1.13 4.20 -0.72 -1.52 115.11 119.22 1i2k h GLN 47 Ca 0.18 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1i2k h GLN 47 Cb 0.54 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1i2k h GLN 47 CO 0.03 0.44 0.26 -0.44 -0.67 0.00 0.00 178.83 178.45 1i2k h ASP 48 N 0.49 0.66 -0.33 1.46 3.32 -1.07 -0.60 116.42 120.35 1i2k h ASP 48 Ca 0.14 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1i2k h ASP 48 Cb 0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1i2k h ASP 48 CO -0.02 0.59 0.21 0.00 -1.72 0.00 0.00 179.24 178.30 1i2k h ALA 49 N 1.10 0.43 -0.76 3.45 0.00 -1.00 -1.49 119.26 120.98 1i2k h ALA 49 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1i2k h ALA 49 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1i2k h ALA 49 CO -0.03 -0.10 0.32 0.00 0.00 0.00 0.00 179.25 179.45 1i2k h GLN 51 N 1.09 0.46 0.00 0.00 4.15 -0.90 0.20 115.11 120.11 1i2k h GLN 51 Ca 0.26 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 1i2k h GLN 51 Cb 0.19 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1i2k h GLN 51 CO -0.02 0.30 -0.13 0.00 -1.93 0.00 0.00 178.83 177.05 1i2k h ARG 52 N 0.47 0.00 -0.34 1.69 3.08 -0.87 -2.22 114.38 116.19 1i2k h ARG 52 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1i2k h ARG 52 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1i2k h ARG 52 CO -0.03 0.13 0.00 1.28 -1.07 0.00 0.00 179.97 180.28 1i2k n LEU 53 N -3.30 2.54 -2.03 3.04 4.77 -0.09 -4.94 117.00 116.99 1i2k n LEU 53 Ca 0.00 -1.14 -0.18 0.00 -0.03 0.00 0.00 56.01 54.67 1i2k n LEU 53 Cb 0.36 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1i2k n LEU 53 CO 0.31 0.57 -0.22 0.23 -1.33 0.00 0.00 177.39 176.95 1i2k n MET 54 N 0.89 -1.50 -3.45 3.23 2.81 -0.25 -4.97 117.12 113.87 1i2k n MET 54 Ca 0.17 0.85 -0.43 0.00 -1.81 0.00 0.00 57.70 56.49 1i2k n MET 54 Cb 0.45 -5.33 -0.10 0.00 -0.71 0.00 0.00 33.22 27.52 1i2k n MET 54 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1i2k s ILE 55 N -2.89 5.24 -0.22 2.02 1.01 0.53 -5.02 121.20 121.89 1i2k s ILE 55 Ca 0.01 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 1i2k s ILE 55 Cb -0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1i2k s ILE 55 CO 0.01 -0.28 0.33 -0.55 0.00 0.00 0.00 174.94 174.45 1i2k s SER 56 N 1.70 6.33 0.04 3.58 0.15 -1.26 -4.40 113.70 119.84 1i2k s SER 56 Ca 0.06 0.39 0.05 0.00 0.70 0.00 0.00 55.95 57.14 1i2k s SER 56 Cb -0.19 -2.19 -0.02 0.00 -1.71 0.00 0.00 66.02 61.91 1i2k s SER 56 CO 0.10 -0.04 -0.13 0.00 1.20 0.00 0.00 173.24 174.37 1i2k n ASP 58 N 1.85 1.58 -0.89 0.00 8.00 -1.26 -4.76 116.55 121.07 1i2k n ASP 58 Ca -0.18 -2.83 0.05 0.00 0.71 0.00 0.00 54.79 52.53 1i2k n ASP 58 Cb 0.55 -0.37 0.18 0.00 -0.02 0.00 0.00 41.12 41.45 1i2k n ASP 58 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1i2k n PHE 59 N -0.92 0.72 -0.25 1.24 1.16 -1.26 -4.66 117.46 113.50 1i2k n PHE 59 Ca 0.12 -0.29 0.01 0.00 -1.87 0.00 0.00 57.45 55.41 1i2k n PHE 59 Cb 0.69 -0.13 0.13 0.00 -1.61 0.00 0.00 39.48 38.56 1i2k n PHE 59 CO 0.00 0.00 0.00 -1.49 -1.87 0.00 0.00 176.76 173.40 1i2k h TRP 60 N 2.06 0.67 -0.19 2.97 4.06 -2.00 -0.84 115.95 122.68 1i2k h TRP 60 Ca 0.00 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 60.89 1i2k h TRP 60 Cb 0.80 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.76 1i2k h TRP 60 CO 0.37 0.26 -0.28 -1.35 -3.56 0.00 0.00 178.44 173.88 1i2k h PRO 61 N 0.64 0.36 -0.43 0.49 0.11 -2.00 -1.59 132.00 129.57 1i2k h PRO 61 Ca 0.35 -0.13 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 1i2k h PRO 61 Cb 0.33 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1i2k h PRO 61 CO -0.25 0.61 -0.13 1.96 -0.21 0.00 0.00 178.00 179.98 1i2k h GLN 62 N 0.32 0.85 -0.96 1.05 7.50 -1.74 -1.82 115.11 120.31 1i2k h GLN 62 Ca 0.05 -0.34 0.03 0.00 0.50 0.00 0.00 58.65 58.89 1i2k h GLN 62 Cb 0.66 -0.04 -0.05 0.00 0.05 0.00 0.00 27.48 28.09 1i2k h GLN 62 CO 0.05 0.97 0.63 1.25 -1.50 0.00 0.00 178.83 180.23 1i2k h LEU 63 N 0.68 1.06 -0.58 1.46 5.85 -0.95 -0.86 115.31 121.97 1i2k h LEU 63 Ca 0.11 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1i2k h LEU 63 Cb 0.67 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1i2k h LEU 63 CO 0.05 0.74 0.02 -0.08 -0.34 0.00 0.00 178.44 178.83 1i2k h GLU 64 N 1.24 1.01 -0.58 1.25 4.81 -1.14 -0.17 114.58 121.00 1i2k h GLU 64 Ca 0.37 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1i2k h GLU 64 Cb -0.04 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1i2k h GLU 64 CO -0.11 0.99 0.35 1.96 -0.73 0.00 0.00 179.01 181.47 1i2k h GLN 65 N 0.90 0.79 -0.45 1.92 4.20 -1.00 -2.00 115.11 119.46 1i2k h GLN 65 Ca 0.17 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 1i2k h GLN 65 Cb 0.52 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1i2k h GLN 65 CO 0.03 0.57 -0.18 0.93 -0.67 0.00 0.00 178.83 179.51 1i2k h GLU 66 N 0.78 0.87 -0.64 1.46 5.08 -0.89 -1.25 114.58 120.00 1i2k h GLU 66 Ca 0.21 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1i2k h GLU 66 Cb -0.01 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1i2k h GLU 66 CO -0.04 0.98 0.14 0.52 -1.00 0.00 0.00 179.01 179.61 1i2k h MET 67 N 0.77 1.03 -0.62 2.33 2.86 -0.81 -2.22 114.93 118.27 1i2k h MET 67 Ca 0.11 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1i2k h MET 67 Cb 0.71 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1i2k h MET 67 CO 0.05 0.94 0.22 0.87 1.06 0.00 0.00 176.91 180.05 1i2k h LYS 68 N 0.95 0.95 -0.08 1.72 1.57 -1.03 -1.66 116.57 119.00 1i2k h LYS 68 Ca 0.20 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1i2k h LYS 68 Cb 0.38 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1i2k h LYS 68 CO 0.00 0.83 0.02 1.15 -0.57 0.00 0.00 179.45 180.88 1i2k h THR 69 N 0.88 1.18 -0.79 -0.16 2.02 -1.09 -1.28 112.91 113.67 1i2k h THR 69 Ca 0.20 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1i2k h THR 69 Cb 0.26 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1i2k h THR 69 CO -0.01 0.16 0.47 -0.07 0.37 0.00 0.00 175.52 176.43 1i2k h LEU 70 N -0.08 0.95 -0.60 2.58 3.38 -1.39 -1.92 115.31 118.23 1i2k h LEU 70 Ca 0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1i2k h LEU 70 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1i2k h LEU 70 CO -0.00 0.74 0.26 0.00 0.09 0.00 0.00 178.44 179.52 1i2k h ALA 71 N 1.43 0.78 -0.73 1.53 0.00 -1.08 -0.65 119.26 120.54 1i2k h ALA 71 Ca 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1i2k h ALA 71 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1i2k h ALA 71 CO -0.05 0.37 0.28 0.00 0.00 0.00 0.00 179.25 179.85 1i2k h ALA 72 N 1.10 1.13 -0.14 0.00 0.00 -0.88 -0.47 119.26 120.00 1i2k h ALA 72 Ca 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1i2k h ALA 72 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1i2k h ALA 72 CO -0.02 0.62 0.04 0.93 0.00 0.00 0.00 179.25 180.83 1i2k h GLU 73 N 1.06 0.22 -0.02 0.00 5.08 -1.04 -3.24 114.58 116.62 1i2k h GLU 73 Ca 0.24 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 1i2k h GLU 73 Cb 0.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1i2k h GLU 73 CO -0.02 0.34 -0.63 0.37 -1.00 0.00 0.00 179.01 178.08 1i2k h GLN 74 N 0.05 0.10 0.00 2.33 5.75 -0.93 -3.46 115.11 118.94 1i2k h GLN 74 Ca 0.05 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1i2k h GLN 74 Cb 0.22 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1i2k h GLN 74 CO -0.00 0.69 0.00 1.04 -2.65 0.00 0.00 178.83 177.91 1i2k n GLN 75 N -3.82 0.00 -3.90 1.69 6.02 -0.20 -4.72 117.38 112.45 1i2k n GLN 75 Ca -0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.81 1i2k n GLN 75 Cb 0.63 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.73 1i2k n GLN 75 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1i2k s ASN 76 N 0.00 0.32 0.00 1.08 0.01 -1.26 -0.86 114.94 114.22 1i2k s ASN 76 Ca 0.00 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 1i2k s ASN 76 Cb 0.00 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.49 1i2k s ASN 76 CO 0.00 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 1i2k n GLY 77 N 4.03 -0.49 3.03 0.66 0.00 -0.52 -3.87 105.19 108.02 1i2k n GLY 77 Ca -0.26 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 1i2k n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i2k s VAL 78 N -4.00 1.09 -0.16 1.61 1.01 -0.39 -1.33 120.40 118.22 1i2k s VAL 78 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1i2k s VAL 78 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1i2k s VAL 78 CO 0.00 0.34 -0.06 -0.22 0.00 0.00 0.00 175.10 175.15 1i2k s LEU 79 N 0.52 3.02 -0.11 3.92 2.96 0.56 -1.34 118.68 128.20 1i2k s LEU 79 Ca -0.11 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1i2k s LEU 79 Cb -0.14 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1i2k s LEU 79 CO 0.03 0.12 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.31 1i2k s LYS 80 N 0.63 3.18 -0.09 1.98 2.20 -0.24 -0.46 119.74 126.95 1i2k s LYS 80 Ca -0.04 -0.65 0.04 0.00 -0.36 0.00 0.00 55.97 54.96 1i2k s LYS 80 Cb -0.15 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.57 1i2k s LYS 80 CO 0.03 0.35 -0.22 0.08 -0.36 0.00 0.00 175.35 175.22 1i2k s VAL 81 N 0.02 1.87 -0.06 4.02 1.01 -0.59 -1.57 120.40 125.09 1i2k s VAL 81 Ca -0.03 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1i2k s VAL 81 Cb -0.14 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1i2k s VAL 81 CO 0.04 0.52 -0.21 -0.69 0.00 0.00 0.00 175.10 174.76 1i2k s VAL 82 N 0.33 2.41 -0.09 2.92 1.01 0.30 -1.45 120.40 125.84 1i2k s VAL 82 Ca -0.16 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 60.92 1i2k s VAL 82 Cb -0.17 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1i2k s VAL 82 CO 0.07 0.57 -0.23 -0.63 0.00 0.00 0.00 175.10 174.88 1i2k s ILE 83 N -0.25 1.98 0.24 2.22 1.01 -0.41 -1.07 121.20 124.93 1i2k s ILE 83 Ca -0.00 -0.99 0.09 0.00 0.00 0.00 0.00 60.65 59.74 1i2k s ILE 83 Cb -0.13 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1i2k s ILE 83 CO 0.03 0.55 -0.14 -0.94 0.00 0.00 0.00 174.94 174.44 1i2k s SER 84 N 0.22 2.90 0.65 3.58 1.04 -0.39 -1.09 113.70 120.62 1i2k s SER 84 Ca -0.14 -1.07 0.33 0.00 0.48 0.00 0.00 55.95 55.55 1i2k s SER 84 Cb -0.17 -0.19 1.83 0.00 0.10 0.00 0.00 66.02 67.60 1i2k s SER 84 CO 0.07 -0.16 2.06 -0.09 0.98 0.00 0.00 173.24 176.10 1i2k h ARG 85 N 2.41 0.00 0.00 4.02 2.43 -1.64 -0.99 114.38 120.60 1i2k h ARG 85 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1i2k h ARG 85 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1i2k h ARG 85 CO 0.63 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.50 1i2k n GLY 86 N -1.23 -1.76 3.96 2.80 0.00 -1.26 -3.73 105.19 103.96 1i2k n GLY 86 Ca -0.01 -2.03 -0.20 0.00 0.00 0.00 0.00 46.02 43.78 1i2k n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i2k s SER 87 N -4.00 5.95 0.00 1.61 0.01 -1.26 -1.25 113.70 114.76 1i2k s SER 87 Ca 0.00 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1i2k s SER 87 Cb 0.00 -1.39 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1i2k s SER 87 CO 0.00 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1i2k n GLY 88 N -1.51 0.38 0.00 3.44 0.00 -1.26 -0.68 105.19 105.56 1i2k n GLY 88 Ca -0.03 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.68 1i2k n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2k n GLY 89 N -0.68 -0.95 3.66 -0.02 0.00 -1.26 -4.79 105.19 101.15 1i2k n GLY 89 Ca 0.00 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 1i2k n GLY 89 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1i2k s ARG 90 N -3.78 4.12 6.40 1.61 1.70 -1.25 -4.87 118.95 122.89 1i2k s ARG 90 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.27 1i2k s ARG 90 Cb 0.00 -3.55 0.00 0.00 -0.57 0.00 0.00 34.95 30.83 1i2k s ARG 90 CO 0.00 -0.02 0.00 0.41 -1.08 0.00 0.00 175.30 174.61 1i2k n GLY 91 N 4.13 3.30 0.01 3.88 0.00 -1.26 -1.26 105.19 113.99 1i2k n GLY 91 Ca -0.11 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 45.91 1i2k n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i2k n TYR 92 N 14.00 0.00 -2.20 1.61 4.01 -1.26 -4.91 117.16 128.41 1i2k n TYR 92 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 1i2k n TYR 92 Cb 0.00 -0.31 -0.02 0.00 -0.31 0.00 0.00 39.34 38.70 1i2k n TYR 92 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1i2k s SER 93 N -2.65 6.54 0.00 7.72 0.15 -0.39 -4.91 113.70 120.16 1i2k s SER 93 Ca 0.25 2.50 0.27 0.00 0.70 0.00 0.00 55.95 59.67 1i2k s SER 93 Cb 0.20 -2.63 0.98 0.00 -1.71 0.00 0.00 66.02 62.87 1i2k s SER 93 CO 0.48 -0.67 1.70 0.35 1.20 0.00 0.00 173.24 176.30 1i2k n THR 94 N 0.29 0.04 -2.19 6.45 -2.24 -1.26 -3.83 114.28 111.54 1i2k n THR 94 Ca 0.03 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1i2k n THR 94 Cb 0.45 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 1i2k n THR 94 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1i2k s LEU 95 N -1.92 4.38 -0.55 3.22 1.43 -1.26 -2.52 118.68 121.45 1i2k s LEU 95 Ca 0.37 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1i2k s LEU 95 Cb 0.20 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1i2k s LEU 95 CO 0.32 -0.63 0.00 0.59 0.23 0.00 0.00 176.35 176.87 1i2k n ASN 96 N 3.78 -4.41 -4.92 2.29 3.02 -1.26 -4.18 115.26 109.58 1i2k n ASN 96 Ca 0.11 0.13 -0.26 0.00 -0.03 0.00 0.00 54.58 54.53 1i2k n ASN 96 Cb 0.43 -2.37 0.01 0.00 -0.61 0.00 0.00 39.78 37.23 1i2k n ASN 96 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1i2k s SER 97 N -2.43 6.00 0.00 6.41 1.04 -1.05 -4.32 113.70 119.35 1i2k s SER 97 Ca 0.00 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1i2k s SER 97 Cb 0.00 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.19 1i2k s SER 97 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1i2k n GLY 98 N -2.25 0.95 3.92 7.32 0.00 0.15 -4.95 105.19 110.33 1i2k n GLY 98 Ca 0.01 -2.24 -0.27 0.00 0.00 0.00 0.00 46.02 43.53 1i2k n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i2k s PRO 99 N -1.16 2.31 0.67 1.61 0.04 -1.26 -4.59 135.00 132.63 1i2k s PRO 99 Ca 0.00 -0.12 -0.17 0.00 0.04 0.00 0.00 61.00 60.75 1i2k s PRO 99 Cb 0.00 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1i2k s PRO 99 CO 0.00 -1.20 1.03 0.00 0.04 0.00 0.00 177.00 176.87 1i2k n ALA 100 N -2.94 0.16 -2.81 8.56 0.00 -1.24 -4.32 120.51 117.92 1i2k n ALA 100 Ca 0.07 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 1i2k n ALA 100 Cb 0.60 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.82 1i2k n ALA 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i2k s THR 101 N -1.64 5.23 -0.05 0.00 2.01 -0.38 -4.83 115.64 115.99 1i2k s THR 101 Ca 0.76 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.93 1i2k s THR 101 Cb -0.37 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1i2k s THR 101 CO 0.47 0.56 -0.24 0.00 -0.69 0.00 0.00 174.62 174.72 1i2k s ARG 102 N -0.52 2.39 -0.08 4.92 1.70 -1.26 -1.26 118.95 124.85 1i2k s ARG 102 Ca 0.12 -0.86 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 1i2k s ARG 102 Cb -0.12 -2.05 0.02 0.00 -0.57 0.00 0.00 34.95 32.23 1i2k s ARG 102 CO 0.02 0.37 -0.06 0.42 -1.08 0.00 0.00 175.30 174.97 1i2k s ILE 103 N -0.16 0.78 0.10 4.99 1.01 -0.23 -1.04 121.20 126.65 1i2k s ILE 103 Ca -0.03 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.50 1i2k s ILE 103 Cb -0.13 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1i2k s ILE 103 CO 0.03 0.30 -0.18 -0.76 0.00 0.00 0.00 174.94 174.33 1i2k s LEU 104 N 1.35 2.32 0.20 2.97 1.02 -0.02 -0.54 118.68 125.98 1i2k s LEU 104 Ca -0.03 -0.70 -0.20 0.00 0.02 0.00 0.00 54.13 53.22 1i2k s LEU 104 Cb -0.14 -0.75 0.04 0.00 0.02 0.00 0.00 46.19 45.37 1i2k s LEU 104 CO -0.03 -0.01 0.59 -0.94 0.02 0.00 0.00 176.35 175.99 1i2k s SER 105 N -2.00 -0.37 0.04 2.29 1.04 -0.61 -1.48 113.70 112.62 1i2k s SER 105 Ca 0.05 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1i2k s SER 105 Cb -0.09 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1i2k s SER 105 CO 0.04 -1.09 -0.06 0.68 0.98 0.00 0.00 173.24 173.79 1i2k s VAL 106 N -3.84 0.38 0.16 5.02 -7.23 -1.26 -1.07 120.40 112.55 1i2k s VAL 106 Ca 0.07 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1i2k s VAL 106 Cb -0.02 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 1i2k s VAL 106 CO -0.04 -0.47 -0.00 0.42 -0.31 0.00 0.00 175.10 174.70 1i2k s THR 107 N -1.61 0.62 0.89 5.32 -4.23 -0.45 -4.98 115.64 111.20 1i2k s THR 107 Ca -0.11 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.33 1i2k s THR 107 Cb -0.09 -2.06 0.13 0.00 1.34 0.00 0.00 72.50 71.82 1i2k s THR 107 CO -0.01 -0.53 1.11 0.00 -0.54 0.00 0.00 174.62 174.65 1i2k s ALA 108 N -3.69 1.56 -0.05 3.99 0.00 -1.26 -1.26 121.76 121.04 1i2k s ALA 108 Ca 0.22 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 1i2k s ALA 108 Cb 0.06 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1i2k s ALA 108 CO 0.03 -2.46 1.14 -0.47 0.00 0.00 0.00 175.76 174.00 1i2k s TYR 109 N -2.77 3.32 0.36 0.00 5.04 -1.25 -4.38 117.35 117.66 1i2k s TYR 109 Ca 0.64 1.34 -0.28 0.00 -2.44 0.00 0.00 57.07 56.33 1i2k s TYR 109 Cb -0.20 -3.35 -0.11 0.00 0.35 0.00 0.00 41.96 38.65 1i2k s TYR 109 CO 0.58 -0.99 1.50 -2.14 -1.34 0.00 0.00 175.55 173.16 1i2k s PRO 110 N 1.98 4.12 0.07 4.97 0.02 -1.26 -4.97 135.00 139.93 1i2k s PRO 110 Ca 0.54 2.56 -0.34 0.00 0.02 0.00 0.00 61.00 63.78 1i2k s PRO 110 Cb -0.23 -2.98 -0.17 0.00 0.02 0.00 0.00 34.50 31.13 1i2k s PRO 110 CO 0.22 -0.54 1.52 0.00 -0.33 0.00 0.00 177.00 177.88 1i2k h ALA 111 N 3.33 -1.21 -0.20 -1.55 0.00 -2.05 -3.32 119.26 114.25 1i2k h ALA 111 Ca -0.50 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.25 1i2k h ALA 111 Cb 1.24 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1i2k h ALA 111 CO 0.67 -1.20 0.27 1.12 0.00 0.00 0.00 179.25 180.11 1i2k h HIS 112 N -1.07 0.00 -0.06 0.00 2.07 -2.01 -2.81 115.15 111.27 1i2k h HIS 112 Ca -0.09 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.47 1i2k h HIS 112 Cb 0.88 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.80 1i2k h HIS 112 CO -0.15 0.00 -0.46 1.88 -3.07 0.00 0.00 177.93 176.13 1i2k h TYR 113 N 0.00 -1.32 -0.49 6.12 0.05 -1.99 0.10 116.97 119.44 1i2k h TYR 113 Ca 0.10 0.05 0.10 0.00 0.05 0.00 0.00 58.73 59.02 1i2k h TYR 113 Cb 0.63 0.59 -0.09 0.00 1.01 0.00 0.00 36.73 38.87 1i2k h TYR 113 CO 0.00 -0.51 -0.05 -0.44 -1.05 0.00 0.00 178.16 176.11 1i2k h ASP 114 N -0.57 -0.31 -0.24 3.88 5.19 -1.75 0.82 116.42 123.44 1i2k h ASP 114 Ca 0.05 0.13 0.06 0.00 -0.62 0.00 0.00 57.03 56.65 1i2k h ASP 114 Cb 0.67 0.25 -0.07 0.00 0.18 0.00 0.00 39.33 40.35 1i2k h ASP 114 CO -0.37 -0.11 -0.33 -0.09 -3.12 0.00 0.00 179.24 175.22 1i2k h ARG 115 N 0.06 -0.33 -0.91 3.56 9.65 -1.55 -0.46 114.38 124.40 1i2k h ARG 115 Ca 0.25 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.13 1i2k h ARG 115 Cb 0.38 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 1i2k h ARG 115 CO -0.45 -0.22 0.50 -0.07 2.80 0.00 0.00 179.97 182.53 1i2k h LEU 116 N -0.34 1.13 -0.53 3.80 3.38 0.15 -1.37 115.31 121.54 1i2k h LEU 116 Ca 0.13 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1i2k h LEU 116 Cb 0.54 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1i2k h LEU 116 CO -0.43 0.91 0.31 -0.09 0.09 0.00 0.00 178.44 179.23 1i2k h ARG 117 N 1.27 0.59 0.00 1.13 2.43 0.14 0.21 114.38 120.15 1i2k h ARG 117 Ca 0.32 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1i2k h ARG 117 Cb 0.03 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1i2k h ARG 117 CO -0.05 0.39 -0.05 -0.91 -1.51 0.00 0.00 179.97 177.84 1i2k h ASN 118 N 0.61 0.00 0.00 -3.80 4.21 -0.70 -3.31 115.58 112.59 1i2k h ASN 118 Ca 0.22 -0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.66 1i2k h ASN 118 Cb 0.04 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 1i2k h ASN 118 CO -0.11 0.01 -1.70 1.21 -1.29 0.00 0.00 177.43 175.56 1i2k n GLU 119 N -2.38 0.72 0.00 0.81 2.13 -0.55 -5.10 120.64 116.27 1i2k n GLU 119 Ca 0.05 -0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1i2k n GLU 119 Cb 0.45 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.82 1i2k n GLU 119 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i2k n GLY 120 N 1.80 0.84 3.85 8.31 0.00 0.04 -4.92 105.19 115.12 1i2k n GLY 120 Ca -0.06 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 1i2k n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i2k s ILE 121 N -2.72 5.46 -0.14 -0.61 -1.09 0.13 -4.80 121.20 117.42 1i2k s ILE 121 Ca 0.00 0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.56 1i2k s ILE 121 Cb 0.00 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1i2k s ILE 121 CO 0.00 0.60 0.04 -0.89 -1.23 0.00 0.00 174.94 173.46 1i2k s THR 122 N -0.85 4.65 -0.03 2.92 2.01 -1.26 -0.95 115.64 122.13 1i2k s THR 122 Ca 0.14 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1i2k s THR 122 Cb -0.12 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1i2k s THR 122 CO 0.03 0.53 0.01 -0.76 -0.69 0.00 0.00 174.62 173.74 1i2k s LEU 123 N -0.20 3.58 -0.04 4.42 1.43 0.26 -0.26 118.68 127.86 1i2k s LEU 123 Ca 0.07 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1i2k s LEU 123 Cb -0.12 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 1i2k s LEU 123 CO 0.02 0.31 -0.17 0.00 0.23 0.00 0.00 176.35 176.73 1i2k s ALA 124 N -1.03 1.56 0.21 4.21 0.00 -0.90 -2.63 121.76 123.18 1i2k s ALA 124 Ca 0.18 -0.71 -0.32 0.00 0.00 0.00 0.00 51.96 51.11 1i2k s ALA 124 Cb -0.11 -0.52 -0.12 0.00 0.00 0.00 0.00 23.12 22.37 1i2k s ALA 124 CO 0.08 0.28 1.70 -0.11 0.00 0.00 0.00 175.76 177.71 1i2k n LEU 125 N 3.15 3.88 -4.78 0.00 7.94 -1.26 -1.46 117.00 124.47 1i2k n LEU 125 Ca -0.18 1.07 -0.39 0.00 -1.11 0.00 0.00 56.01 55.39 1i2k n LEU 125 Cb 0.53 -1.55 -0.06 0.00 0.53 0.00 0.00 43.42 42.86 1i2k n LEU 125 CO 0.25 0.11 0.44 -0.55 -1.11 0.00 0.00 177.39 176.53 1i2k s SER 126 N 1.10 7.33 0.26 1.96 0.15 -0.29 -4.86 113.70 119.35 1i2k s SER 126 Ca 0.75 1.57 0.26 0.00 0.70 0.00 0.00 55.95 59.23 1i2k s SER 126 Cb -0.53 -2.47 0.84 0.00 -1.71 0.00 0.00 66.02 62.15 1i2k s SER 126 CO 0.34 0.22 1.75 1.55 1.20 0.00 0.00 173.24 178.31 1i2k h PRO 127 N 4.37 0.00 -5.73 5.44 0.13 -1.93 -3.44 132.00 130.85 1i2k h PRO 127 Ca -0.48 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.06 1i2k h PRO 127 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 1i2k h PRO 127 CO 0.65 0.00 0.37 0.08 -0.23 0.00 0.00 178.00 178.87 1i2k s VAL 128 N -3.20 4.89 -0.14 1.56 1.01 -1.26 -5.06 120.40 118.20 1i2k s VAL 128 Ca 0.08 1.45 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 1i2k s VAL 128 Cb 0.11 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1i2k s VAL 128 CO 0.55 -0.03 -0.03 -0.13 0.00 0.00 0.00 175.10 175.46 1i2k s ARG 129 N 2.63 3.49 0.23 2.72 0.52 -1.26 -4.62 118.95 122.65 1i2k s ARG 129 Ca 0.33 -0.49 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 1i2k s ARG 129 Cb -0.15 -2.88 -0.09 0.00 0.52 0.00 0.00 34.95 32.34 1i2k s ARG 129 CO 0.08 0.37 1.27 -0.51 0.02 0.00 0.00 175.30 176.53 1i2k s LEU 130 N 0.03 4.44 0.66 2.53 1.43 -0.41 -4.63 118.68 122.72 1i2k s LEU 130 Ca 0.01 2.41 -0.16 0.00 -1.03 0.00 0.00 54.13 55.36 1i2k s LEU 130 Cb -0.13 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1i2k s LEU 130 CO 0.02 -0.47 1.15 -0.83 0.23 0.00 0.00 176.35 176.46 1i2k s GLY 131 N 0.06 2.32 -0.24 -3.19 0.00 -1.26 -0.79 107.32 104.22 1i2k s GLY 131 Ca 0.54 0.72 -0.09 0.00 0.00 0.00 0.00 44.72 45.88 1i2k s GLY 131 CO 0.41 1.09 0.13 0.50 0.00 0.00 0.00 173.10 175.23 1i2k s ARG 132 N -3.87 3.94 -0.29 2.90 0.52 -1.26 -4.69 118.95 116.19 1i2k s ARG 132 Ca 0.71 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.61 1i2k s ARG 132 Cb -0.24 -3.47 0.17 0.00 0.52 0.00 0.00 34.95 31.94 1i2k s ARG 132 CO 0.40 -0.01 0.48 1.21 0.02 0.00 0.00 175.30 177.39 1i2k s ASN 133 N 1.23 -0.41 0.38 0.23 3.84 0.18 -5.02 114.94 115.36 1i2k s ASN 133 Ca 0.06 -0.09 0.27 0.00 0.21 0.00 0.00 52.86 53.32 1i2k s ASN 133 Cb -0.14 1.48 1.29 0.00 -0.55 0.00 0.00 41.25 43.33 1i2k s ASN 133 CO 0.05 -0.33 1.82 1.55 -2.79 0.00 0.00 177.10 177.41 1i2k h PRO 134 N 8.10 0.00 0.00 0.43 0.13 -1.74 -0.61 132.00 138.31 1i2k h PRO 134 Ca -0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 1i2k h PRO 134 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1i2k h PRO 134 CO 0.22 0.00 -0.29 0.45 -0.23 0.00 0.00 178.00 178.16 1i2k h HIS 135 N 0.00 0.00 -0.00 1.56 3.86 -1.92 -3.16 115.15 115.48 1i2k h HIS 135 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1i2k h HIS 135 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1i2k h HIS 135 CO 0.00 0.29 -0.23 1.28 0.86 0.00 0.00 177.93 180.13 1i2k n LEU 136 N -3.48 0.90 -4.77 2.43 4.77 -0.43 -5.00 117.00 111.42 1i2k n LEU 136 Ca -0.00 -0.69 -0.41 0.00 -0.03 0.00 0.00 56.01 54.88 1i2k n LEU 136 Cb 0.45 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1i2k n LEU 136 CO 0.35 0.19 1.08 0.00 -1.33 0.00 0.00 177.39 177.68 1i2k s ALA 137 N -1.36 3.56 0.00 -1.18 0.00 -0.37 -3.16 121.76 119.25 1i2k s ALA 137 Ca 0.06 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1i2k s ALA 137 Cb 0.07 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1i2k s ALA 137 CO 0.24 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1i2k n GLY 138 N 0.78 2.82 3.74 0.00 0.00 0.96 -4.93 105.19 108.55 1i2k n GLY 138 Ca 0.01 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1i2k n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i2k s ILE 139 N -1.88 3.68 -1.41 -0.61 1.01 -1.19 -0.29 121.20 120.51 1i2k s ILE 139 Ca 0.00 1.44 -0.12 0.00 0.00 0.00 0.00 60.65 61.96 1i2k s ILE 139 Cb 0.00 -3.92 0.07 0.00 0.01 0.00 0.00 42.46 38.63 1i2k s ILE 139 CO 0.00 0.24 2.15 1.17 0.00 0.00 0.00 174.94 178.50 1i2k n LYS 140 N 2.40 3.11 -2.06 2.79 4.81 -1.26 -4.78 118.16 123.17 1i2k n LYS 140 Ca 0.03 -2.86 -0.27 0.00 -0.87 0.00 0.00 58.31 54.34 1i2k n LYS 140 Cb 0.45 -3.16 0.09 0.00 0.02 0.00 0.00 35.03 32.43 1i2k n LYS 140 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1i2k s HIS 141 N 2.31 2.79 -1.52 5.64 -3.43 -1.26 -1.48 115.29 118.34 1i2k s HIS 141 Ca 0.45 0.55 0.30 0.00 -0.80 0.00 0.00 55.06 55.56 1i2k s HIS 141 Cb 0.13 -3.40 1.43 0.00 -1.43 0.00 0.00 32.58 29.30 1i2k s HIS 141 CO -0.06 -1.69 1.99 1.28 -2.00 0.00 0.00 174.74 174.26 1i2k n LEU 142 N -3.17 0.16 -4.57 5.38 4.77 -0.25 -4.64 117.00 114.69 1i2k n LEU 142 Ca 0.09 0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.82 1i2k n LEU 142 Cb 0.61 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1i2k n LEU 142 CO 0.54 0.03 1.83 0.20 -1.33 0.00 0.00 177.39 178.66 1i2k s ASN 143 N -2.52 6.76 -0.22 -1.43 0.02 -1.26 -4.76 114.94 111.53 1i2k s ASN 143 Ca 0.29 -2.23 0.11 0.00 -1.02 0.00 0.00 52.86 50.02 1i2k s ASN 143 Cb 0.20 -2.57 0.44 0.00 0.02 0.00 0.00 41.25 39.34 1i2k s ASN 143 CO 0.47 -1.24 1.29 0.54 0.02 0.00 0.00 177.10 178.18 1i2k n ARG 144 N 8.41 1.68 0.09 -0.60 5.12 -1.26 -4.61 116.66 125.49 1i2k n ARG 144 Ca 0.45 -3.18 0.06 0.00 -1.93 0.00 0.00 57.85 53.24 1i2k n ARG 144 Cb 0.47 -1.67 0.50 0.00 -1.16 0.00 0.00 32.46 30.60 1i2k n ARG 144 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1i2k h LEU 145 N 0.92 0.30 -0.90 0.55 3.38 -2.00 -1.32 115.31 116.24 1i2k h LEU 145 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1i2k h LEU 145 Cb 1.21 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1i2k h LEU 145 CO 0.12 0.22 0.51 -0.33 0.09 0.00 0.00 178.44 179.06 1i2k h GLU 146 N 0.36 1.25 -0.25 1.13 5.08 -2.00 -0.97 114.58 119.17 1i2k h GLU 146 Ca 0.10 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1i2k h GLU 146 Cb -0.02 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1i2k h GLU 146 CO -0.02 0.90 -0.44 1.96 -1.00 0.00 0.00 179.01 180.40 1i2k h GLN 147 N 1.26 0.63 -0.58 2.33 7.50 -1.74 -0.91 115.11 123.60 1i2k h GLN 147 Ca 0.32 -0.34 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 1i2k h GLN 147 Cb -0.00 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.52 1i2k h GLN 147 CO -0.05 0.95 0.33 0.28 -1.50 0.00 0.00 178.83 178.83 1i2k h VAL 148 N 0.51 1.18 -0.62 -0.54 2.07 -0.64 -0.58 116.25 117.63 1i2k h VAL 148 Ca 0.03 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1i2k h VAL 148 Cb 0.97 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1i2k h VAL 148 CO 0.09 0.19 0.08 -0.07 0.02 0.00 0.00 177.57 177.88 1i2k h LEU 149 N 0.78 1.01 -0.36 2.57 3.38 -1.00 -1.93 115.31 119.77 1i2k h LEU 149 Ca 0.21 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1i2k h LEU 149 Cb 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1i2k h LEU 149 CO -0.04 1.02 0.18 0.40 0.09 0.00 0.00 178.44 180.10 1i2k h ILE 150 N 0.96 0.98 -0.89 1.22 2.04 -1.02 -1.40 117.51 119.39 1i2k h ILE 150 Ca 0.19 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1i2k h ILE 150 Cb 0.46 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1i2k h ILE 150 CO 0.02 0.07 0.58 -0.09 0.00 0.00 0.00 178.15 178.73 1i2k h ARG 151 N 0.37 1.14 -0.55 2.37 9.65 -0.98 -1.03 114.38 125.35 1i2k h ARG 151 Ca 0.15 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.89 1i2k h ARG 151 Cb 0.06 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 1i2k h ARG 151 CO -0.11 0.76 0.06 0.77 2.80 0.00 0.00 179.97 184.25 1i2k h SER 152 N 1.18 0.90 0.16 -3.80 0.02 -0.92 -1.17 113.55 109.91 1i2k h SER 152 Ca 0.33 -0.28 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1i2k h SER 152 Cb -0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 1i2k h SER 152 CO -0.08 0.95 -0.43 0.45 -1.14 0.00 0.00 176.83 176.57 1i2k h HIS 153 N 0.82 0.41 -0.60 3.45 3.86 -0.97 -3.04 115.15 119.07 1i2k h HIS 153 Ca 0.16 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1i2k h HIS 153 Cb 0.45 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 1i2k h HIS 153 CO 0.03 0.73 0.28 1.25 0.86 0.00 0.00 177.93 181.08 1i2k h LEU 154 N 0.28 0.77 -0.36 2.43 5.85 -0.60 -2.36 115.31 121.33 1i2k h LEU 154 Ca 0.02 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1i2k h LEU 154 Cb 0.88 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1i2k h LEU 154 CO 0.07 0.67 0.00 -0.62 -0.34 0.00 0.00 178.44 178.22 1i2k n GLU 155 N -4.35 0.08 -0.11 1.25 1.02 -0.50 -1.72 120.64 116.32 1i2k n GLU 155 Ca 0.05 0.37 0.06 0.00 -0.02 0.00 0.00 57.16 57.62 1i2k n GLU 155 Cb 0.14 -1.67 0.21 0.00 -0.02 0.00 0.00 31.44 30.09 1i2k n GLU 155 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1i2k n GLN 156 N -1.82 1.56 -3.44 3.49 1.13 -0.89 -4.84 117.38 112.57 1i2k n GLN 156 Ca 0.02 -0.86 -0.18 0.00 -1.94 0.00 0.00 57.00 54.04 1i2k n GLN 156 Cb 0.17 -1.25 -0.03 0.00 0.11 0.00 0.00 30.24 29.24 1i2k n GLN 156 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1i2k n THR 157 N 0.16 0.00 -0.64 5.09 -2.24 -0.70 -5.05 114.28 110.90 1i2k n THR 157 Ca 0.11 -1.35 0.09 0.00 -2.27 0.00 0.00 64.05 60.62 1i2k n THR 157 Cb 0.22 0.22 0.31 0.00 -2.10 0.00 0.00 70.33 68.98 1i2k n THR 157 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1i2k n ASN 158 N -1.26 4.39 -4.85 3.42 4.05 -1.26 -4.99 115.26 114.76 1i2k n ASN 158 Ca -0.11 -2.51 -0.33 0.00 0.45 0.00 0.00 54.58 52.08 1i2k n ASN 158 Cb 0.36 -0.53 -0.06 0.00 1.23 0.00 0.00 39.78 40.79 1i2k n ASN 158 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1i2k s ALA 159 N -1.95 3.35 -0.12 5.20 0.00 -1.26 -4.89 121.76 122.09 1i2k s ALA 159 Ca 0.45 0.01 0.20 0.00 0.00 0.00 0.00 51.96 52.63 1i2k s ALA 159 Cb 0.31 -2.73 -0.22 0.00 0.00 0.00 0.00 23.12 20.47 1i2k s ALA 159 CO 0.20 0.35 0.57 -0.25 0.00 0.00 0.00 175.76 176.63 1i2k n ASP 160 N -0.30 0.32 -4.04 0.00 8.00 0.64 -4.88 116.55 116.29 1i2k n ASP 160 Ca 0.03 0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.56 1i2k n ASP 160 Cb 0.53 1.19 -0.07 0.00 -0.02 0.00 0.00 41.12 42.75 1i2k n ASP 160 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1i2k s GLU 161 N -3.20 1.45 0.08 -1.24 0.41 -1.00 -5.00 118.70 110.20 1i2k s GLU 161 Ca -0.06 -1.40 0.05 0.00 -0.41 0.00 0.00 54.97 53.15 1i2k s GLU 161 Cb 0.11 0.40 -0.04 0.00 -1.78 0.00 0.00 34.13 32.82 1i2k s GLU 161 CO 0.86 -0.56 -0.02 0.00 -0.49 0.00 0.00 175.26 175.04 1i2k s ALA 162 N -4.03 3.21 -0.32 5.21 0.00 -1.26 -2.11 121.76 122.46 1i2k s ALA 162 Ca 0.28 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 1i2k s ALA 162 Cb 0.02 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 1i2k s ALA 162 CO 0.10 0.68 0.35 -1.17 0.00 0.00 0.00 175.76 175.73 1i2k s LEU 163 N -2.17 4.33 -0.15 0.00 0.20 -0.53 -3.89 118.68 116.46 1i2k s LEU 163 Ca 0.24 -0.11 -0.02 0.00 0.69 0.00 0.00 54.13 54.93 1i2k s LEU 163 Cb -0.12 -2.34 -0.02 0.00 -0.43 0.00 0.00 46.19 43.28 1i2k s LEU 163 CO 0.16 -0.29 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.15 1i2k s VAL 164 N 2.02 3.35 0.28 1.68 1.01 0.90 -1.14 120.40 128.50 1i2k s VAL 164 Ca 0.12 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1i2k s VAL 164 Cb -0.16 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1i2k s VAL 164 CO 0.11 0.50 0.34 -0.76 0.00 0.00 0.00 175.10 175.29 1i2k s LEU 165 N 0.57 4.01 0.00 3.92 1.43 -1.26 -0.44 118.68 126.92 1i2k s LEU 165 Ca -0.06 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1i2k s LEU 165 Cb -0.15 -2.62 0.05 0.00 0.03 0.00 0.00 46.19 43.49 1i2k s LEU 165 CO 0.03 -0.20 0.34 -0.90 0.23 0.00 0.00 176.35 175.85 1i2k n ASP 166 N -1.41 0.59 0.16 2.29 5.68 0.14 -1.29 116.55 122.70 1i2k n ASP 166 Ca -0.05 -1.46 0.13 0.00 -0.50 0.00 0.00 54.79 52.90 1i2k n ASP 166 Cb 0.58 -0.20 0.56 0.00 -1.14 0.00 0.00 41.12 40.91 1i2k n ASP 166 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1i2k h SER 167 N -0.12 0.00 -0.01 -1.12 4.64 -1.22 -0.60 113.55 115.11 1i2k h SER 167 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1i2k h SER 167 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1i2k h SER 167 CO 0.13 0.00 -0.02 -0.62 -0.87 0.00 0.00 176.83 175.45 1i2k n GLU 168 N -2.35 1.90 -0.55 4.77 -0.58 -1.26 -4.95 120.64 117.61 1i2k n GLU 168 Ca 0.01 -1.34 0.00 0.00 -0.42 0.00 0.00 57.16 55.41 1i2k n GLU 168 Cb 0.18 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1i2k n GLU 168 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i2k n GLY 169 N 1.26 0.74 3.73 0.62 0.00 -0.23 -5.06 105.19 106.25 1i2k n GLY 169 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1i2k n GLY 169 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1i2k s TRP 170 N -2.40 3.68 0.04 1.61 0.52 -1.26 -4.29 118.94 116.84 1i2k s TRP 170 Ca 0.00 1.48 -0.33 0.00 0.02 0.00 0.00 56.10 57.27 1i2k s TRP 170 Cb 0.00 -2.89 -0.12 0.00 -1.15 0.00 0.00 33.47 29.30 1i2k s TRP 170 CO 0.00 0.16 1.76 0.28 0.02 0.00 0.00 176.95 179.17 1i2k n VAL 171 N 3.29 0.33 0.01 4.03 0.31 -0.58 -0.69 118.33 125.03 1i2k n VAL 171 Ca -0.00 -0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.26 1i2k n VAL 171 Cb 0.51 -1.79 -0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1i2k n VAL 171 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1i2k n THR 172 N 4.42 0.44 -3.08 2.52 -1.04 0.42 -4.65 114.28 113.31 1i2k n THR 172 Ca 0.20 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1i2k n THR 172 Cb 0.31 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 1i2k n THR 172 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1i2k n GLU 173 N -3.22 0.00 -0.12 -2.82 0.28 -1.03 -4.63 120.64 109.10 1i2k n GLU 173 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1i2k n GLU 173 Cb 0.37 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.24 1i2k n GLU 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1i2k n ALA 176 N -2.62 2.25 -2.65 0.00 0.00 -1.26 -4.92 120.51 111.30 1i2k n ALA 176 Ca -0.12 -1.74 -0.09 0.00 0.00 0.00 0.00 53.44 51.49 1i2k n ALA 176 Cb 0.71 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 1i2k n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i2k s ALA 177 N -0.44 -0.16 0.39 0.00 0.00 -1.26 -4.82 121.76 115.46 1i2k s ALA 177 Ca 0.17 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.49 1i2k s ALA 177 Cb 0.18 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1i2k s ALA 177 CO -0.06 -0.58 0.53 -0.80 0.00 0.00 0.00 175.76 174.85 1i2k s ASN 178 N -2.91 5.77 -0.05 0.00 -0.87 -0.06 -1.44 114.94 115.38 1i2k s ASN 178 Ca 0.10 -0.33 0.03 0.00 -1.57 0.00 0.00 52.86 51.09 1i2k s ASN 178 Cb 0.04 -0.89 0.01 0.00 -0.02 0.00 0.00 41.25 40.39 1i2k s ASN 178 CO -0.06 -0.63 -0.13 -0.22 -2.57 0.00 0.00 177.10 173.50 1i2k s LEU 179 N -4.27 1.71 0.05 0.60 2.96 -1.26 -1.60 118.68 116.87 1i2k s LEU 179 Ca 0.51 -0.29 0.09 0.00 -0.22 0.00 0.00 54.13 54.22 1i2k s LEU 179 Cb -0.10 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 1i2k s LEU 179 CO 0.32 0.06 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.80 1i2k s PHE 180 N 0.48 2.37 0.04 5.38 0.40 -0.48 -4.30 117.98 121.88 1i2k s PHE 180 Ca -0.11 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.87 1i2k s PHE 180 Cb -0.14 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 1i2k s PHE 180 CO 0.03 0.17 -0.08 1.67 0.70 0.00 0.00 175.22 177.71 1i2k s TRP 181 N -0.86 0.67 -0.08 0.36 -2.14 0.32 -1.43 118.94 115.78 1i2k s TRP 181 Ca 0.13 -0.49 0.05 0.00 2.66 0.00 0.00 56.10 58.44 1i2k s TRP 181 Cb -0.10 -0.40 -0.01 0.00 -3.10 0.00 0.00 33.47 29.86 1i2k s TRP 181 CO 0.03 -0.08 -0.24 0.50 -2.66 0.00 0.00 176.95 174.50 1i2k s ARG 182 N -1.55 2.81 -0.22 3.25 3.52 0.01 -0.59 118.95 126.17 1i2k s ARG 182 Ca -0.10 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.63 1i2k s ARG 182 Cb -0.10 -2.24 0.05 0.00 -1.56 0.00 0.00 34.95 31.10 1i2k s ARG 182 CO 0.00 0.29 -0.08 0.21 -0.81 0.00 0.00 175.30 174.92 1i2k s LYS 183 N 0.08 1.79 7.68 5.12 2.20 -0.67 -0.15 119.74 135.79 1i2k s LYS 183 Ca -0.11 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.60 1i2k s LYS 183 Cb -0.16 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 1i2k s LYS 183 CO 0.06 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 1i2k n GLY 184 N 4.68 2.80 0.84 5.54 0.00 -1.26 -1.38 105.19 116.40 1i2k n GLY 184 Ca -0.13 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.75 1i2k n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i2k n ASN 185 N 8.17 2.56 -4.59 1.61 5.15 -1.26 -4.92 115.26 121.98 1i2k n ASN 185 Ca 0.00 -1.84 -0.34 0.00 -0.60 0.00 0.00 54.58 51.80 1i2k n ASN 185 Cb 0.00 -0.08 -0.10 0.00 -0.53 0.00 0.00 39.78 39.06 1i2k n ASN 185 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1i2k s VAL 186 N -1.84 4.56 -0.15 3.44 1.01 -0.48 -0.78 120.40 126.16 1i2k s VAL 186 Ca 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1i2k s VAL 186 Cb 0.20 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1i2k s VAL 186 CO 0.31 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 175.05 1i2k s VAL 187 N 0.44 3.01 0.02 2.92 1.01 0.26 -1.66 120.40 126.40 1i2k s VAL 187 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1i2k s VAL 187 Cb -0.13 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1i2k s VAL 187 CO 0.01 0.51 -0.05 -0.31 0.00 0.00 0.00 175.10 175.26 1i2k s TYR 188 N 0.57 2.93 -0.11 5.22 1.51 0.24 -0.12 117.35 127.59 1i2k s TYR 188 Ca -0.08 -0.02 -0.09 0.00 -1.01 0.00 0.00 57.07 55.87 1i2k s TYR 188 Cb -0.16 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.12 1i2k s TYR 188 CO 0.03 0.41 0.29 -0.08 -1.11 0.00 0.00 175.55 175.09 1i2k s THR 189 N -1.06 -0.00 0.47 -0.71 -1.32 -0.74 -0.52 115.64 111.75 1i2k s THR 189 Ca 0.19 0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.44 1i2k s THR 189 Cb -0.11 -0.41 -0.08 0.00 -1.51 0.00 0.00 72.50 70.39 1i2k s THR 189 CO 0.10 0.01 1.44 -2.84 -2.21 0.00 0.00 174.62 171.11 1i2k s PRO 190 N 0.30 3.60 0.13 7.08 0.02 -1.26 -1.13 135.00 143.74 1i2k s PRO 190 Ca -0.01 2.43 -0.30 0.00 0.02 0.00 0.00 61.00 63.14 1i2k s PRO 190 Cb -0.03 -2.61 -0.07 0.00 0.02 0.00 0.00 34.50 31.82 1i2k s PRO 190 CO -0.01 -0.89 1.14 -0.98 -0.33 0.00 0.00 177.00 175.92 1i2k s ARG 191 N -2.52 4.53 -0.47 5.54 1.70 -0.40 -4.70 118.95 122.63 1i2k s ARG 191 Ca 0.62 1.74 0.03 0.00 -0.47 0.00 0.00 55.73 57.66 1i2k s ARG 191 Cb -0.44 -3.30 0.44 0.00 -0.57 0.00 0.00 34.95 31.08 1i2k s ARG 191 CO 0.56 -0.05 1.50 1.28 -1.08 0.00 0.00 175.30 177.51 1i2k n LEU 192 N 2.94 5.95 0.03 -1.89 4.77 -1.26 -4.67 117.00 122.87 1i2k n LEU 192 Ca 0.05 -4.69 0.13 0.00 -0.03 0.00 0.00 56.01 51.46 1i2k n LEU 192 Cb 0.46 -0.61 0.35 0.00 -2.33 0.00 0.00 43.42 41.29 1i2k n LEU 192 CO 0.54 1.91 0.63 -0.90 -1.33 0.00 0.00 177.39 178.25 1i2k n ASP 193 N -0.72 0.48 -0.02 -1.43 5.75 -1.26 -3.82 116.55 115.52 1i2k n ASP 193 Ca 0.50 0.19 -0.02 0.00 -0.01 0.00 0.00 54.79 55.44 1i2k n ASP 193 Cb 0.77 -0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.68 1i2k n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i2k n GLN 194 N -1.79 2.91 -3.70 0.11 1.13 -1.26 -4.26 117.38 110.52 1i2k n GLN 194 Ca 0.05 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.02 1i2k n GLN 194 Cb 0.38 -1.10 -0.03 0.00 0.11 0.00 0.00 30.24 29.60 1i2k n GLN 194 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i2k s ALA 195 N -2.10 -1.16 0.00 -1.58 0.00 -1.26 -0.65 121.76 115.01 1i2k s ALA 195 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1i2k s ALA 195 Cb 0.01 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1i2k s ALA 195 CO 0.16 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1i2k n GLY 196 N -0.39 2.04 3.58 0.00 0.00 -1.26 -4.53 105.19 104.64 1i2k n GLY 196 Ca -0.10 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 1i2k n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i2k s VAL 197 N -2.53 4.73 -1.23 1.61 1.01 -1.26 -0.03 120.40 122.71 1i2k s VAL 197 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1i2k s VAL 197 Cb 0.00 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.30 1i2k s VAL 197 CO 0.00 0.40 1.62 0.21 0.00 0.00 0.00 175.10 177.34 1i2k s ASN 198 N 0.86 6.82 0.79 3.32 2.47 0.60 -4.92 114.94 124.88 1i2k s ASN 198 Ca 0.04 -2.38 -0.12 0.00 0.42 0.00 0.00 52.86 50.82 1i2k s ASN 198 Cb -0.14 -2.54 0.07 0.00 -1.45 0.00 0.00 41.25 37.19 1i2k s ASN 198 CO 0.03 -1.15 1.14 -0.83 -3.72 0.00 0.00 177.10 172.57 1i2k s GLY 199 N 4.09 1.94 0.25 1.21 0.00 -1.26 -4.82 107.32 108.73 1i2k s GLY 199 Ca 0.50 0.58 -0.05 0.00 0.00 0.00 0.00 44.72 45.75 1i2k s GLY 199 CO 0.03 0.97 1.91 -2.22 0.00 0.00 0.00 173.10 173.80 1i2k h ILE 200 N -0.96 1.20 -0.01 0.90 5.03 -1.96 -1.69 117.51 120.03 1i2k h ILE 200 Ca -0.45 -0.45 -0.21 0.00 -0.12 0.00 0.00 64.86 63.63 1i2k h ILE 200 Cb 1.26 -0.21 -0.00 0.00 -3.03 0.00 0.00 36.82 34.85 1i2k h ILE 200 CO 0.48 0.24 -0.90 -0.03 -0.68 0.00 0.00 178.15 177.25 1i2k h MET 201 N 1.30 0.36 -0.27 2.37 4.05 -1.91 -1.93 114.93 118.91 1i2k h MET 201 Ca 0.39 -0.38 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1i2k h MET 201 Cb -0.06 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1i2k h MET 201 CO -0.11 1.06 0.06 -0.09 0.23 0.00 0.00 176.91 178.06 1i2k h ARG 202 N 0.21 0.17 -0.53 0.39 2.43 -1.81 -0.15 114.38 115.08 1i2k h ARG 202 Ca -0.07 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1i2k h ARG 202 Cb 1.53 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.02 1i2k h ARG 202 CO 0.15 0.11 0.20 1.96 -1.51 0.00 0.00 179.97 180.88 1i2k h GLN 203 N 0.17 0.76 -0.14 0.20 4.20 -1.24 -0.01 115.11 119.05 1i2k h GLN 203 Ca 0.12 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1i2k h GLN 203 Cb 0.11 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1i2k h GLN 203 CO -0.15 0.64 0.07 0.35 -0.67 0.00 0.00 178.83 179.07 1i2k h PHE 204 N 0.75 0.20 -0.65 2.96 3.57 -0.50 -1.81 116.94 121.47 1i2k h PHE 204 Ca 0.18 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1i2k h PHE 204 Cb 0.17 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1i2k h PHE 204 CO 0.01 0.24 0.19 0.00 -2.23 0.00 0.00 178.31 176.52 1i2k h ILE 206 N 0.96 1.22 -0.31 0.00 2.04 -0.83 0.14 117.51 120.71 1i2k h ILE 206 Ca 0.21 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.47 1i2k h ILE 206 Cb 0.28 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1i2k h ILE 206 CO -0.01 0.26 -0.00 0.03 0.00 0.00 0.00 178.15 178.43 1i2k h ARG 207 N 0.77 0.09 -0.11 2.37 3.08 -0.65 0.41 114.38 120.33 1i2k h ARG 207 Ca 0.19 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.24 1i2k h ARG 207 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1i2k h ARG 207 CO -0.02 0.06 0.06 -0.07 -1.07 0.00 0.00 179.97 178.92 1i2k h LEU 208 N 0.09 0.08 -1.02 3.04 3.38 -0.57 -2.73 115.31 117.58 1i2k h LEU 208 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1i2k h LEU 208 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1i2k h LEU 208 CO -0.25 0.07 -0.23 -0.07 0.09 0.00 0.00 178.44 178.05 1i2k h LEU 209 N 0.12 0.44 -0.35 1.67 3.38 -0.26 -1.77 115.31 118.53 1i2k h LEU 209 Ca 0.05 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1i2k h LEU 209 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1i2k h LEU 209 CO -0.03 0.67 0.21 0.00 0.09 0.00 0.00 178.44 179.37 1i2k h ALA 210 N 1.37 0.44 0.00 1.53 0.00 0.04 -2.46 119.26 120.19 1i2k h ALA 210 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1i2k h ALA 210 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1i2k h ALA 210 CO 0.04 -0.14 0.00 -0.56 0.00 0.00 0.00 179.25 178.59 1i2k h GLN 211 N 0.42 0.00 -7.49 0.00 -0.00 -1.15 -3.46 115.11 103.43 1i2k h GLN 211 Ca 0.14 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 58.31 1i2k h GLN 211 Cb -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 27.48 27.56 1i2k h GLN 211 CO -0.06 0.00 0.38 -1.54 -0.00 0.00 0.00 178.83 177.61 1i2k s SER 212 N -4.76 5.00 0.28 0.06 1.04 -0.71 -4.98 113.70 109.64 1i2k s SER 212 Ca 0.07 0.89 0.24 0.00 0.48 0.00 0.00 55.95 57.64 1i2k s SER 212 Cb 0.10 -1.56 1.01 0.00 0.10 0.00 0.00 66.02 65.67 1i2k s SER 212 CO 0.54 -1.58 1.73 0.77 0.98 0.00 0.00 173.24 175.68 1i2k h SER 213 N -0.78 0.00 -4.15 7.02 4.64 -1.89 -3.45 113.55 114.94 1i2k h SER 213 Ca -0.45 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 1i2k h SER 213 Cb 1.29 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.51 1i2k h SER 213 CO 0.64 0.00 0.42 -0.31 -0.87 0.00 0.00 176.83 176.71 1i2k s TYR 214 N -3.34 2.30 -0.13 4.77 2.02 -1.26 -5.01 117.35 116.70 1i2k s TYR 214 Ca 0.04 1.56 -0.16 0.00 -0.37 0.00 0.00 57.07 58.14 1i2k s TYR 214 Cb 0.09 -3.42 -0.05 0.00 -0.40 0.00 0.00 41.96 38.19 1i2k s TYR 214 CO 0.40 -2.27 0.38 -0.65 -1.57 0.00 0.00 175.55 171.84 1i2k s GLN 215 N -3.70 4.25 -0.20 -0.62 -0.21 0.04 -4.83 119.66 114.39 1i2k s GLN 215 Ca 0.74 0.27 -0.05 0.00 0.02 0.00 0.00 55.36 56.34 1i2k s GLN 215 Cb -0.28 -3.41 -0.02 0.00 1.00 0.00 0.00 33.01 30.30 1i2k s GLN 215 CO 0.39 0.25 -0.01 -1.17 -2.12 0.00 0.00 175.29 172.63 1i2k s LEU 216 N 0.39 3.16 -0.08 2.90 0.20 -1.26 0.91 118.68 124.90 1i2k s LEU 216 Ca 0.21 -0.25 0.03 0.00 0.69 0.00 0.00 54.13 54.80 1i2k s LEU 216 Cb -0.14 -1.80 0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1i2k s LEU 216 CO 0.07 0.04 -0.15 0.68 -0.29 0.00 0.00 176.35 176.71 1i2k s VAL 217 N 1.12 1.36 -0.26 1.68 -7.23 0.83 -4.96 120.40 112.92 1i2k s VAL 217 Ca 0.02 -0.60 -0.23 0.00 -1.81 0.00 0.00 61.98 59.36 1i2k s VAL 217 Cb -0.14 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 1i2k s VAL 217 CO 0.01 0.41 0.76 -1.61 -0.31 0.00 0.00 175.10 174.36 1i2k s GLU 218 N 0.65 4.10 0.28 4.82 2.02 -1.26 -1.79 118.70 127.53 1i2k s GLU 218 Ca -0.14 0.74 0.02 0.00 0.02 0.00 0.00 54.97 55.61 1i2k s GLU 218 Cb -0.16 -3.67 -0.06 0.00 0.10 0.00 0.00 34.13 30.34 1i2k s GLU 218 CO 0.04 -0.53 0.08 0.14 0.02 0.00 0.00 175.26 175.01 1i2k s VAL 219 N 2.78 0.81 -0.44 2.63 -7.23 -0.28 -4.71 120.40 113.96 1i2k s VAL 219 Ca 0.32 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 1i2k s VAL 219 Cb -0.15 -2.69 0.08 0.00 0.56 0.00 0.00 36.38 34.18 1i2k s VAL 219 CO 0.09 -0.01 0.31 -1.10 -0.31 0.00 0.00 175.10 174.08 1i2k s GLN 220 N -3.98 2.72 0.05 4.82 -0.21 -1.26 -1.28 119.66 120.53 1i2k s GLN 220 Ca 0.37 -1.45 0.05 0.00 0.02 0.00 0.00 55.36 54.35 1i2k s GLN 220 Cb 0.08 -3.91 -0.02 0.00 1.00 0.00 0.00 33.01 30.16 1i2k s GLN 220 CO 0.14 -1.00 -0.15 0.00 -2.12 0.00 0.00 175.29 172.17 1i2k s ALA 221 N 1.49 1.23 0.65 6.09 0.00 -1.26 -5.03 121.76 124.93 1i2k s ALA 221 Ca 0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 1i2k s ALA 221 Cb -0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1i2k s ALA 221 CO 0.03 0.22 1.05 -1.54 0.00 0.00 0.00 175.76 175.52 1i2k s SER 222 N -1.31 5.74 0.36 0.00 1.04 -1.26 -1.53 113.70 116.74 1i2k s SER 222 Ca 0.01 1.58 0.03 0.00 0.48 0.00 0.00 55.95 58.06 1i2k s SER 222 Cb -0.08 -2.49 0.68 0.00 0.10 0.00 0.00 66.02 64.22 1i2k s SER 222 CO 0.02 -1.20 2.00 0.25 0.98 0.00 0.00 173.24 175.29 1i2k h LEU 223 N -0.37 0.64 -0.51 2.42 5.85 -1.97 -2.50 115.31 118.88 1i2k h LEU 223 Ca -0.44 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.26 1i2k h LEU 223 Cb 1.20 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1i2k h LEU 223 CO 0.59 0.49 0.33 1.05 -0.34 0.00 0.00 178.44 180.56 1i2k h GLU 224 N 0.75 0.66 -0.45 1.25 4.11 -1.96 -1.66 114.58 117.27 1i2k h GLU 224 Ca 0.20 -0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.65 1i2k h GLU 224 Cb -0.04 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.01 1i2k h GLU 224 CO -0.04 0.43 0.15 0.93 0.07 0.00 0.00 179.01 180.56 1i2k h GLU 225 N 0.68 0.31 -0.03 1.06 5.08 -1.87 -2.98 114.58 116.83 1i2k h GLU 225 Ca 0.19 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1i2k h GLU 225 Cb -0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1i2k h GLU 225 CO -0.05 0.21 -0.38 0.66 -1.00 0.00 0.00 179.01 178.44 1i2k h SER 226 N 0.32 0.06 0.83 1.42 4.64 -0.98 -2.57 113.55 117.27 1i2k h SER 226 Ca 0.21 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1i2k h SER 226 Cb 0.22 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1i2k h SER 226 CO -0.23 0.44 0.00 0.18 -0.87 0.00 0.00 176.83 176.36 1i2k n LEU 227 N -4.07 0.42 -0.80 5.97 4.32 -0.68 -2.57 117.00 119.60 1i2k n LEU 227 Ca -0.02 0.58 0.05 0.00 -0.02 0.00 0.00 56.01 56.61 1i2k n LEU 227 Cb 0.43 -0.50 0.17 0.00 -1.62 0.00 0.00 43.42 41.90 1i2k n LEU 227 CO 0.40 -0.34 0.62 0.00 -1.22 0.00 0.00 177.39 176.85 1i2k n GLN 228 N -1.94 2.10 -1.80 3.23 6.02 -0.97 -4.96 117.38 119.06 1i2k n GLN 228 Ca 0.04 -1.38 -0.34 0.00 -0.01 0.00 0.00 57.00 55.31 1i2k n GLN 228 Cb 0.26 -1.42 0.05 0.00 1.02 0.00 0.00 30.24 30.14 1i2k n GLN 228 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i2k s ALA 229 N -1.59 2.45 -0.66 -1.58 0.00 -1.06 -4.95 121.76 114.36 1i2k s ALA 229 Ca 0.25 0.69 0.25 0.00 0.00 0.00 0.00 51.96 53.15 1i2k s ALA 229 Cb 0.15 -3.36 0.61 0.00 0.00 0.00 0.00 23.12 20.51 1i2k s ALA 229 CO 0.15 -1.29 1.62 -0.44 0.00 0.00 0.00 175.76 175.80 1i2k h ASP 230 N 0.24 0.00 -4.28 0.00 3.32 -0.91 -3.47 116.42 111.31 1i2k h ASP 230 Ca -0.48 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 1i2k h ASP 230 Cb 1.26 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.60 1i2k h ASP 230 CO 0.54 0.03 0.22 -0.70 -1.72 0.00 0.00 179.24 177.60 1i2k s GLU 231 N -3.14 0.86 0.02 3.56 2.12 -1.14 -3.47 118.70 117.51 1i2k s GLU 231 Ca 0.09 0.63 0.06 0.00 0.36 0.00 0.00 54.97 56.10 1i2k s GLU 231 Cb 0.12 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.90 1i2k s GLU 231 CO 0.64 -0.18 -0.18 -1.64 -0.54 0.00 0.00 175.26 173.35 1i2k s MET 232 N -0.31 1.32 -0.00 4.30 -1.94 -1.26 -0.81 119.30 120.59 1i2k s MET 232 Ca -0.04 -0.80 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1i2k s MET 232 Cb -0.03 -1.36 -0.00 0.00 2.01 0.00 0.00 34.83 35.45 1i2k s MET 232 CO 0.03 0.35 -0.05 0.08 -0.01 0.00 0.00 175.02 175.43 1i2k s VAL 233 N -0.68 0.41 0.28 -6.03 1.01 -0.51 -2.04 120.40 112.82 1i2k s VAL 233 Ca 0.06 -0.22 0.12 0.00 0.00 0.00 0.00 61.98 61.94 1i2k s VAL 233 Cb -0.08 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 1i2k s VAL 233 CO 0.01 0.12 -0.20 0.27 0.00 0.00 0.00 175.10 175.29 1i2k s ILE 234 N -0.10 2.46 0.05 2.22 -4.36 -0.85 -1.38 121.20 119.25 1i2k s ILE 234 Ca 0.02 -2.39 -0.17 0.00 -0.26 0.00 0.00 60.65 57.84 1i2k s ILE 234 Cb -0.02 -2.29 0.03 0.00 1.25 0.00 0.00 42.46 41.43 1i2k s ILE 234 CO -0.00 -0.39 0.39 0.00 0.24 0.00 0.00 174.94 175.17 1i2k s ASN 236 N -2.10 -0.11 0.60 0.00 2.20 -0.40 -0.88 114.94 114.24 1i2k s ASN 236 Ca -0.04 -0.79 0.32 0.00 -0.94 0.00 0.00 52.86 51.41 1i2k s ASN 236 Cb -0.00 0.70 1.88 0.00 -2.00 0.00 0.00 41.25 41.83 1i2k s ASN 236 CO -0.04 -1.35 2.25 0.00 -2.94 0.00 0.00 177.10 175.03 1i2k h ALA 237 N 2.00 1.41 0.00 3.54 0.00 -1.85 -3.23 119.26 121.13 1i2k h ALA 237 Ca -0.26 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.35 1i2k h ALA 237 Cb 1.24 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1i2k h ALA 237 CO 0.32 0.02 -2.17 1.28 0.00 0.00 0.00 179.25 178.70 1i2k n LEU 238 N -3.70 0.17 0.21 0.00 4.77 -1.26 -4.39 117.00 112.80 1i2k n LEU 238 Ca -0.03 0.08 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 1i2k n LEU 238 Cb 0.10 0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1i2k n LEU 238 CO 0.27 0.38 0.52 0.24 -1.33 0.00 0.00 177.39 177.46 1i2k h MET 239 N 0.00 -0.52 0.00 3.23 2.86 -1.95 -3.48 114.93 115.06 1i2k h MET 239 Ca -0.40 0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.10 1i2k h MET 239 Cb 1.97 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.72 1i2k h MET 239 CO 0.03 -0.22 -1.40 -1.00 1.06 0.00 0.00 176.91 175.39 1i2k h PRO 240 N -0.85 0.00 -5.18 -0.22 0.13 -1.82 -3.48 132.00 120.58 1i2k h PRO 240 Ca -0.06 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.63 1i2k h PRO 240 Cb 0.55 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.41 1i2k h PRO 240 CO 0.09 0.31 -0.79 0.14 -0.23 0.00 0.00 178.00 177.51 1i2k s VAL 241 N -2.91 1.02 0.00 1.56 -7.23 -1.26 -1.28 120.40 110.30 1i2k s VAL 241 Ca -0.03 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 1i2k s VAL 241 Cb 0.09 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 36.12 1i2k s VAL 241 CO 0.81 0.12 -0.11 -0.04 -0.31 0.00 0.00 175.10 175.57 1i2k s MET 242 N -0.75 0.83 0.27 4.82 -1.94 -0.55 -5.00 119.30 116.97 1i2k s MET 242 Ca 0.03 -0.45 -0.17 0.00 -1.71 0.00 0.00 55.69 53.39 1i2k s MET 242 Cb -0.06 -0.79 -0.09 0.00 2.01 0.00 0.00 34.83 35.90 1i2k s MET 242 CO 0.00 0.21 0.73 -1.25 -0.01 0.00 0.00 175.02 174.70 1i2k s PRO 243 N -0.45 4.13 -0.33 2.03 0.04 -1.26 -2.01 135.00 137.14 1i2k s PRO 243 Ca 0.03 0.76 -0.10 0.00 0.04 0.00 0.00 61.00 61.73 1i2k s PRO 243 Cb -0.05 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.83 1i2k s PRO 243 CO -0.00 0.28 0.17 0.08 0.04 0.00 0.00 177.00 177.57 1i2k s VAL 244 N -1.74 4.56 0.06 -0.36 1.01 -0.87 -0.69 120.40 122.37 1i2k s VAL 244 Ca 0.48 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1i2k s VAL 244 Cb -0.14 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.73 1i2k s VAL 244 CO 0.19 -0.03 1.36 0.00 0.00 0.00 0.00 175.10 176.61 1i2k s ALA 246 N -2.85 -1.88 -0.44 0.00 0.00 -1.23 -1.54 121.76 113.81 1i2k s ALA 246 Ca 0.02 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.22 1i2k s ALA 246 Cb 0.10 0.11 0.14 0.00 0.00 0.00 0.00 23.12 23.47 1i2k s ALA 246 CO 0.79 -0.60 0.27 0.00 0.00 0.00 0.00 175.76 176.22 1i2k n GLY 248 N 3.43 0.68 0.74 0.00 0.00 -1.08 -3.87 105.19 105.08 1i2k n GLY 248 Ca 0.12 -1.18 0.12 0.00 0.00 0.00 0.00 46.02 45.08 1i2k n GLY 248 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i2k n ASP 249 N 2.65 2.38 -4.70 1.61 -0.08 -1.26 -4.82 116.55 112.32 1i2k n ASP 249 Ca 0.00 -1.75 -0.42 0.00 -1.51 0.00 0.00 54.79 51.11 1i2k n ASP 249 Cb 0.00 0.07 -0.03 0.00 2.34 0.00 0.00 41.12 43.50 1i2k n ASP 249 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1i2k s VAL 250 N -2.09 4.87 0.29 5.18 1.01 -1.25 -5.04 120.40 123.37 1i2k s VAL 250 Ca 0.29 1.96 0.09 0.00 0.00 0.00 0.00 61.98 64.32 1i2k s VAL 250 Cb 0.20 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1i2k s VAL 250 CO 0.36 0.13 0.04 -0.44 0.00 0.00 0.00 175.10 175.18 1i2k s SER 251 N 1.01 4.56 -0.06 3.32 0.01 -1.26 -2.22 113.70 119.05 1i2k s SER 251 Ca 0.49 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 57.08 1i2k s SER 251 Cb -0.20 -0.79 -0.02 0.00 0.21 0.00 0.00 66.02 65.22 1i2k s SER 251 CO 0.24 -0.10 -0.19 -0.36 0.41 0.00 0.00 173.24 173.24 1i2k s PHE 252 N -2.37 2.59 -0.14 2.43 0.08 -0.59 -4.96 117.98 115.02 1i2k s PHE 252 Ca 0.33 -0.45 0.17 0.00 0.12 0.00 0.00 56.93 57.10 1i2k s PHE 252 Cb -0.05 -1.64 -0.25 0.00 -0.57 0.00 0.00 43.02 40.52 1i2k s PHE 252 CO 0.21 -0.04 0.42 -1.13 -0.10 0.00 0.00 175.22 174.58 1i2k n SER 253 N 2.74 1.12 -4.85 1.36 3.41 -1.25 -4.85 113.62 111.31 1i2k n SER 253 Ca -0.17 -0.14 -0.27 0.00 -0.26 0.00 0.00 58.87 58.03 1i2k n SER 253 Cb 0.52 1.64 -0.05 0.00 -0.26 0.00 0.00 64.21 66.06 1i2k n SER 253 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1i2k s SER 254 N -3.70 5.80 -0.05 4.04 0.15 -1.23 -4.99 113.70 113.73 1i2k s SER 254 Ca -0.04 -0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.67 1i2k s SER 254 Cb 0.11 -1.61 0.11 0.00 -1.71 0.00 0.00 66.02 62.92 1i2k s SER 254 CO 0.69 0.08 0.99 0.00 1.20 0.00 0.00 173.24 176.19 1i2k n ALA 255 N -0.32 1.96 0.01 5.45 0.00 -1.26 -4.75 120.51 121.60 1i2k n ALA 255 Ca -0.08 -1.55 -0.11 0.00 0.00 0.00 0.00 53.44 51.70 1i2k n ALA 255 Cb 0.54 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 1i2k n ALA 255 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1i2k h THR 256 N 2.60 0.97 -0.50 0.00 1.35 -1.97 0.31 112.91 115.67 1i2k h THR 256 Ca 0.00 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1i2k h THR 256 Cb 1.04 0.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 1i2k h THR 256 CO 0.00 0.01 0.30 0.25 -0.25 0.00 0.00 175.52 175.83 1i2k h LEU 257 N 0.06 0.60 -0.85 3.87 5.85 -1.99 -1.86 115.31 120.99 1i2k h LEU 257 Ca 0.04 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1i2k h LEU 257 Cb 0.02 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 1i2k h LEU 257 CO -0.04 0.49 0.51 0.22 -0.34 0.00 0.00 178.44 179.28 1i2k h TYR 258 N 0.67 0.93 -0.02 1.25 3.20 -1.81 -1.21 116.97 119.98 1i2k h TYR 258 Ca 0.18 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1i2k h TYR 258 Cb 0.00 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 1i2k h TYR 258 CO -0.03 0.42 -0.23 0.93 -1.64 0.00 0.00 178.16 177.61 1i2k h GLU 259 N 0.88 0.04 -0.00 1.82 5.08 0.39 -1.88 114.58 120.90 1i2k h GLU 259 Ca 0.40 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1i2k h GLU 259 Cb 0.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1i2k h GLU 259 CO -0.22 0.27 -0.18 -0.92 -1.00 0.00 0.00 179.01 176.96 1i2k h TYR 260 N 0.03 0.18 -0.03 4.33 3.20 -0.76 -3.37 116.97 120.55 1i2k h TYR 260 Ca 0.00 -0.10 -0.19 0.00 3.14 0.00 0.00 58.73 61.58 1i2k h TYR 260 Cb 0.43 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1i2k h TYR 260 CO 0.00 0.90 -0.80 -0.07 -1.64 0.00 0.00 178.16 176.55 1i2k h LEU 261 N -0.59 0.38 -0.11 2.82 3.38 -1.04 -3.38 115.31 116.77 1i2k h LEU 261 Ca -0.02 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1i2k h LEU 261 Cb 0.95 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1i2k h LEU 261 CO 0.04 1.03 0.01 0.00 0.09 0.00 0.00 178.44 179.61 1i2k h ALA 262 N 0.95 0.11 -0.31 1.53 0.00 -1.51 -1.49 119.26 118.54 1i2k h ALA 262 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i2k h ALA 262 Cb 1.39 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1i2k h ALA 262 CO 0.13 -0.44 0.12 -1.00 0.00 0.00 0.00 179.25 178.05 1i2k h PRO 263 N 0.06 0.43 0.00 0.00 0.13 -1.77 -0.57 132.00 130.28 1i2k h PRO 263 Ca 0.05 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1i2k h PRO 263 Cb 0.05 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.08 1i2k h PRO 263 CO -0.07 0.37 -0.52 -0.07 -0.23 0.00 0.00 178.00 177.47 1i2k h LEU 264 N 0.43 0.00 0.00 1.56 3.38 -1.58 -3.24 115.31 115.87 1i2k h LEU 264 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1i2k h LEU 264 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1i2k h LEU 264 CO -0.01 0.52 -0.96 0.00 0.09 0.00 0.00 178.44 178.08 1i2k h GLU 266 N 0.00 0.13 0.23 0.00 3.07 -1.12 -3.33 114.58 113.56 1i2k h GLU 266 Ca -0.07 -0.13 0.01 0.00 -0.50 0.00 0.00 59.36 58.67 1i2k h GLU 266 Cb 1.34 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.26 1i2k h GLU 266 CO 0.03 0.87 -0.27 0.00 -1.40 0.00 0.00 179.01 178.24 1i2k h ARG 267 N 0.08 -0.53 -5.50 2.33 3.08 -1.71 -3.46 114.38 108.67 1i2k h ARG 267 Ca -0.03 0.04 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1i2k h ARG 267 Cb 1.41 0.12 -0.12 0.00 0.08 0.00 0.00 29.97 31.46 1i2k h ARG 267 CO 0.12 -0.35 0.15 -1.25 -1.07 0.00 0.00 179.97 177.56 1i2k s PRO 268 N -6.06 4.00 0.00 0.04 0.04 -1.25 -5.06 135.00 126.71 1i2k s PRO 268 Ca -0.16 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1i2k s PRO 268 Cb 0.07 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1i2k s PRO 268 CO 0.64 -0.49 0.00 -1.71 0.04 0.00 0.00 177.00 175.48