#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1si6 s PRO 4 N 0.00 3.36 0.06 0.52 0.04 -1.26 -4.97 135.00 132.74 1si6 s PRO 4 Ca 0.00 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.18 1si6 s PRO 4 Cb 0.00 -2.03 -0.17 0.00 0.04 0.00 0.00 34.50 32.35 1si6 s PRO 4 CO 0.00 -0.80 1.60 0.00 0.04 0.00 0.00 177.00 177.83 1si6 h ALA 5 N 0.85 -0.07 -2.28 8.56 0.00 -2.00 -3.43 119.26 120.89 1si6 h ALA 5 Ca -0.48 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 1si6 h ALA 5 Cb 1.24 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 1si6 h ALA 5 CO 0.57 -0.47 -0.70 -0.65 0.00 0.00 0.00 179.25 178.00 1si6 s GLN 6 N -5.64 0.83 0.08 0.00 -0.21 -1.26 -1.20 119.66 112.26 1si6 s GLN 6 Ca -0.14 -1.31 0.02 0.00 0.02 0.00 0.00 55.36 53.95 1si6 s GLN 6 Cb 0.05 -0.23 -0.03 0.00 1.00 0.00 0.00 33.01 33.79 1si6 s GLN 6 CO 0.66 -0.01 -0.08 -0.51 -2.12 0.00 0.00 175.29 173.23 1si6 s LEU 7 N -2.97 2.40 0.03 2.90 1.43 -0.66 -4.97 118.68 116.84 1si6 s LEU 7 Ca 0.11 -0.81 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1si6 s LEU 7 Cb 0.04 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.06 1si6 s LEU 7 CO -0.04 -0.33 -0.03 -0.94 0.23 0.00 0.00 176.35 175.24 1si6 s SER 8 N -2.42 4.89 -0.04 2.29 1.04 -1.26 -1.22 113.70 116.98 1si6 s SER 8 Ca 0.03 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.34 1si6 s SER 8 Cb -0.02 -1.18 0.02 0.00 0.10 0.00 0.00 66.02 64.94 1si6 s SER 8 CO -0.02 0.24 -0.02 -0.69 0.98 0.00 0.00 173.24 173.73 1si6 s VAL 9 N -1.14 0.38 -0.07 5.02 1.01 -0.32 -1.35 120.40 123.94 1si6 s VAL 9 Ca 0.21 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1si6 s VAL 9 Cb -0.11 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1si6 s VAL 9 CO 0.12 0.20 -0.09 -1.00 0.00 0.00 0.00 175.10 174.33 1si6 s HIS 10 N 1.07 2.89 0.01 5.22 3.76 -0.50 -0.45 115.29 127.29 1si6 s HIS 10 Ca -0.09 -0.03 0.04 0.00 -0.15 0.00 0.00 55.06 54.84 1si6 s HIS 10 Cb -0.14 -1.70 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 1si6 s HIS 10 CO -0.01 0.29 -0.13 0.95 -0.85 0.00 0.00 174.74 174.99 1si6 s THR 11 N -0.76 1.05 -0.01 1.30 -4.23 -0.23 -1.40 115.64 111.36 1si6 s THR 11 Ca 0.12 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1si6 s THR 11 Cb -0.11 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1si6 s THR 11 CO 0.01 0.15 -0.03 0.54 -0.54 0.00 0.00 174.62 174.75 1si6 s VAL 12 N -0.56 0.30 0.07 2.29 0.11 -0.29 -1.12 120.40 121.20 1si6 s VAL 12 Ca 0.03 -0.13 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 1si6 s VAL 12 Cb -0.06 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1si6 s VAL 12 CO 0.00 0.10 -0.09 -0.94 -3.33 0.00 0.00 175.10 170.84 1si6 s SER 13 N 0.12 1.19 -0.18 3.54 1.04 -0.81 -1.19 113.70 117.41 1si6 s SER 13 Ca -0.01 -0.68 -0.09 0.00 0.48 0.00 0.00 55.95 55.65 1si6 s SER 13 Cb -0.04 0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.17 1si6 s SER 13 CO -0.00 -0.22 0.42 0.86 0.98 0.00 0.00 173.24 175.27 1si6 s TRP 14 N -1.89 -0.68 -1.02 5.02 -0.00 -0.62 -1.46 118.94 118.29 1si6 s TRP 14 Ca -0.02 1.39 -0.20 0.00 -0.00 0.00 0.00 56.10 57.26 1si6 s TRP 14 Cb -0.06 0.29 0.09 0.00 -0.00 0.00 0.00 33.47 33.79 1si6 s TRP 14 CO 0.00 -0.39 1.34 1.21 -0.00 0.00 0.00 176.95 179.11 1si6 s ASN 15 N 1.77 6.63 0.05 5.86 3.84 -1.26 -1.76 114.94 130.06 1si6 s ASN 15 Ca -0.07 -1.90 0.23 0.00 0.21 0.00 0.00 52.86 51.33 1si6 s ASN 15 Cb -0.09 -2.49 0.13 0.00 -0.55 0.00 0.00 41.25 38.25 1si6 s ASN 15 CO -0.13 -1.24 1.11 -1.54 -2.79 0.00 0.00 177.10 172.51 1si6 n SER 16 N 7.63 0.63 0.00 -4.21 3.41 -0.31 -4.42 113.62 116.35 1si6 n SER 16 Ca 0.31 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1si6 n SER 16 Cb 0.49 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1si6 n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1si6 n GLY 17 N 1.39 2.70 0.37 5.00 0.00 -0.87 -1.82 105.19 111.97 1si6 n GLY 17 Ca 0.03 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1si6 n GLY 17 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1si6 n HIS 18 N 7.31 0.00 -2.68 1.61 8.25 -1.26 -2.23 115.22 126.23 1si6 n HIS 18 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1si6 n HIS 18 Cb 0.00 -0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.00 1si6 n HIS 18 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1si6 s GLU 19 N -2.50 4.04 0.65 -0.41 8.01 -0.75 -5.03 118.70 122.71 1si6 s GLU 19 Ca 0.21 1.26 -0.11 0.00 0.01 0.00 0.00 54.97 56.34 1si6 s GLU 19 Cb 0.19 -2.19 -0.02 0.00 -4.31 0.00 0.00 34.13 27.80 1si6 s GLU 19 CO 0.56 -0.21 1.04 -0.98 0.01 0.00 0.00 175.26 175.68 1si6 s ARG 20 N -3.12 3.35 0.43 1.61 1.70 -1.26 -5.00 118.95 116.66 1si6 s ARG 20 Ca 0.64 0.77 -0.25 0.00 -0.47 0.00 0.00 55.73 56.42 1si6 s ARG 20 Cb -0.13 -2.05 -0.10 0.00 -0.57 0.00 0.00 34.95 32.10 1si6 s ARG 20 CO 0.17 -0.76 1.16 0.00 -1.08 0.00 0.00 175.30 174.80 1si6 n ALA 21 N -2.88 0.84 -2.28 7.88 0.00 -1.26 -5.02 120.51 117.79 1si6 n ALA 21 Ca 0.06 0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.54 1si6 n ALA 21 Cb 0.54 -2.19 0.01 0.00 0.00 0.00 0.00 19.45 17.81 1si6 n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1si6 s PRO 22 N -2.18 2.97 0.11 0.00 0.04 -1.26 -5.05 135.00 129.63 1si6 s PRO 22 Ca 0.63 -0.83 -0.11 0.00 0.04 0.00 0.00 61.00 60.73 1si6 s PRO 22 Cb -0.52 -2.67 -0.14 0.00 0.04 0.00 0.00 34.50 31.21 1si6 s PRO 22 CO 0.57 -0.22 1.30 1.15 0.04 0.00 0.00 177.00 179.84 1si6 h THR 23 N 0.56 1.30 -2.82 1.26 2.02 -2.04 -3.37 112.91 109.82 1si6 h THR 23 Ca -0.44 -2.06 -0.72 0.00 0.77 0.00 0.00 66.41 63.95 1si6 h THR 23 Cb 1.26 2.08 -0.20 0.00 -1.74 0.00 0.00 68.15 69.56 1si6 h THR 23 CO 0.53 0.65 0.62 0.21 0.37 0.00 0.00 175.52 177.89 1si6 s ASN 24 N -7.12 6.67 0.28 4.18 2.47 -1.26 -4.82 114.94 115.33 1si6 s ASN 24 Ca -0.09 -2.23 0.21 0.00 0.42 0.00 0.00 52.86 51.17 1si6 s ASN 24 Cb 0.09 -2.34 0.12 0.00 -1.45 0.00 0.00 41.25 37.66 1si6 s ASN 24 CO 0.90 -0.92 1.27 -0.07 -3.72 0.00 0.00 177.10 174.56 1si6 h LEU 25 N 9.65 0.00 -0.75 3.21 3.38 -1.99 -3.34 115.31 125.48 1si6 h LEU 25 Ca 0.14 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1si6 h LEU 25 Cb 1.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1si6 h LEU 25 CO 1.00 0.13 0.47 -0.33 0.09 0.00 0.00 178.44 179.81 1si6 h GLU 26 N 0.00 0.91 -0.32 1.13 5.08 -1.96 -1.40 114.58 118.03 1si6 h GLU 26 Ca -0.02 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1si6 h GLU 26 Cb 1.11 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1si6 h GLU 26 CO 0.01 0.60 0.04 1.49 -1.00 0.00 0.00 179.01 180.16 1si6 h GLU 27 N 0.93 0.53 -0.94 2.33 4.81 -1.94 0.22 114.58 120.52 1si6 h GLU 27 Ca 0.29 -0.15 0.12 0.00 -0.13 0.00 0.00 59.36 59.49 1si6 h GLU 27 Cb -0.01 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 1si6 h GLU 27 CO -0.10 0.63 0.60 1.25 -0.73 0.00 0.00 179.01 180.66 1si6 h LEU 28 N 0.35 0.83 -1.89 1.64 5.85 -1.60 -2.17 115.31 118.32 1si6 h LEU 28 Ca 0.10 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1si6 h LEU 28 Cb 0.36 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1si6 h LEU 28 CO 0.01 0.46 0.00 0.18 -0.34 0.00 0.00 178.44 178.75 1si6 n LEU 29 N -4.57 2.90 -1.89 2.25 4.77 -0.55 -4.82 117.00 115.09 1si6 n LEU 29 Ca 0.17 -1.08 -0.12 0.00 -0.03 0.00 0.00 56.01 54.95 1si6 n LEU 29 Cb 0.36 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1si6 n LEU 29 CO 0.29 0.54 0.06 0.61 -1.33 0.00 0.00 177.39 177.57 1si6 n GLY 30 N 1.37 0.12 0.52 -0.72 0.00 -0.82 -4.91 105.19 100.75 1si6 n GLY 30 Ca 0.16 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1si6 n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1si6 n LEU 31 N -2.52 2.01 0.00 0.99 4.77 0.72 -4.60 117.00 118.38 1si6 n LEU 31 Ca -0.03 -0.89 0.09 0.00 -0.03 0.00 0.00 56.01 55.16 1si6 n LEU 31 Cb 0.55 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.12 1si6 n LEU 31 CO 0.29 0.37 0.79 -0.46 -1.33 0.00 0.00 177.39 177.05 1si6 n ASN 32 N 0.42 0.00 -0.46 -1.43 2.04 -1.16 -1.71 115.26 112.95 1si6 n ASN 32 Ca 0.08 0.02 0.08 0.00 -0.44 0.00 0.00 54.58 54.32 1si6 n ASN 32 Cb 0.37 -0.29 0.19 0.00 -2.53 0.00 0.00 39.78 37.53 1si6 n ASN 32 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1si6 n SER 33 N -1.29 2.88 -0.02 0.53 3.41 -1.26 -4.98 113.62 112.89 1si6 n SER 33 Ca 0.09 -3.15 -0.00 0.00 -0.26 0.00 0.00 58.87 55.55 1si6 n SER 33 Cb 0.15 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1si6 n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1si6 n GLY 34 N -1.07 0.47 3.77 5.00 0.00 -0.70 -5.04 105.19 107.62 1si6 n GLY 34 Ca 0.19 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1si6 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1si6 s GLU 35 N -0.43 2.77 -0.52 1.61 2.02 -1.26 -5.01 118.70 117.88 1si6 s GLU 35 Ca 0.00 1.44 0.06 0.00 0.02 0.00 0.00 54.97 56.49 1si6 s GLU 35 Cb 0.00 -1.94 0.20 0.00 0.10 0.00 0.00 34.13 32.49 1si6 s GLU 35 CO 0.00 -1.28 0.49 0.25 0.02 0.00 0.00 175.26 174.74 1si6 n THR 36 N -2.38 0.23 -2.05 3.63 -2.24 -1.26 -4.75 114.28 105.46 1si6 n THR 36 Ca 0.11 -4.23 -0.37 0.00 -2.27 0.00 0.00 64.05 57.28 1si6 n THR 36 Cb 0.52 -1.94 0.02 0.00 -2.10 0.00 0.00 70.33 66.83 1si6 n THR 36 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1si6 s PRO 37 N -1.07 3.37 0.25 -0.78 0.04 -1.26 -4.94 135.00 130.61 1si6 s PRO 37 Ca 0.33 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.34 1si6 s PRO 37 Cb 0.07 -2.24 0.29 0.00 0.04 0.00 0.00 34.50 32.66 1si6 s PRO 37 CO -0.14 -0.91 1.60 -0.44 0.04 0.00 0.00 177.00 177.14 1si6 h ASP 38 N 1.58 0.31 -3.82 6.66 3.32 -1.59 -3.44 116.42 119.43 1si6 h ASP 38 Ca -0.50 -0.16 -0.34 0.00 0.02 0.00 0.00 57.03 56.05 1si6 h ASP 38 Cb 1.28 -0.09 -0.30 0.00 0.22 0.00 0.00 39.33 40.44 1si6 h ASP 38 CO 0.58 0.79 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.44 1si6 s VAL 39 N -3.90 0.42 -0.06 -1.35 1.01 -0.86 -1.47 120.40 114.18 1si6 s VAL 39 Ca -0.05 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1si6 s VAL 39 Cb 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1si6 s VAL 39 CO 0.80 0.13 -0.15 -0.63 0.00 0.00 0.00 175.10 175.25 1si6 s ILE 40 N 0.10 1.29 -0.04 2.22 1.01 -0.34 -1.41 121.20 124.03 1si6 s ILE 40 Ca -0.01 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1si6 s ILE 40 Cb -0.05 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1si6 s ILE 40 CO -0.00 0.38 -0.21 0.00 0.00 0.00 0.00 174.94 175.11 1si6 s ALA 41 N 0.35 1.83 -0.13 9.38 0.00 -0.50 -0.27 121.76 132.42 1si6 s ALA 41 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1si6 s ALA 41 Cb -0.14 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1si6 s ALA 41 CO 0.03 0.38 -0.13 0.08 0.00 0.00 0.00 175.76 176.12 1si6 s VAL 42 N -0.21 1.43 -0.08 0.00 1.01 -0.11 -1.14 120.40 121.30 1si6 s VAL 42 Ca 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1si6 s VAL 42 Cb -0.11 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 1si6 s VAL 42 CO 0.02 0.43 -0.24 0.00 0.00 0.00 0.00 175.10 175.31 1si6 s ALA 43 N 1.44 2.11 0.08 5.51 0.00 -0.33 -1.04 121.76 129.54 1si6 s ALA 43 Ca 0.03 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.07 1si6 s ALA 43 Cb -0.13 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1si6 s ALA 43 CO -0.08 0.35 -0.18 0.14 0.00 0.00 0.00 175.76 175.99 1si6 s VAL 44 N 0.09 1.42 -0.00 0.00 -7.23 -0.45 -1.59 120.40 112.63 1si6 s VAL 44 Ca -0.11 -1.37 0.07 0.00 -1.81 0.00 0.00 61.98 58.76 1si6 s VAL 44 Cb -0.16 -1.31 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 1si6 s VAL 44 CO 0.06 -0.10 -0.21 -1.58 -0.31 0.00 0.00 175.10 172.96 1si6 s GLN 45 N -1.71 1.65 0.00 4.82 0.74 -0.72 -1.65 119.66 122.79 1si6 s GLN 45 Ca 0.03 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.64 1si6 s GLN 45 Cb -0.10 -1.63 0.00 0.00 1.10 0.00 0.00 33.01 32.38 1si6 s GLN 45 CO 0.03 0.44 0.00 0.41 -0.55 0.00 0.00 175.29 175.62 1si6 n GLY 46 N 2.41 -0.94 2.83 2.59 0.00 -0.18 -1.16 105.19 110.74 1si6 n GLY 46 Ca -0.16 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 1si6 n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1si6 s PHE 47 N -4.00 0.51 -0.71 1.61 0.40 -0.94 -4.29 117.98 110.55 1si6 s PHE 47 Ca 0.00 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.23 1si6 s PHE 47 Cb 0.00 -0.57 0.00 0.00 0.51 0.00 0.00 43.02 42.96 1si6 s PHE 47 CO 0.00 -0.19 0.18 0.41 0.70 0.00 0.00 175.22 176.32 1si6 n GLY 48 N 4.35 0.11 0.09 4.36 0.00 0.10 -4.81 105.19 109.40 1si6 n GLY 48 Ca -0.21 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1si6 n GLY 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1si6 h PHE 49 N -0.42 -0.11 -0.43 1.61 -1.00 -1.63 -2.72 116.94 112.24 1si6 h PHE 49 Ca -0.23 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.53 1si6 h PHE 49 Cb 1.16 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.74 1si6 h PHE 49 CO 0.23 0.16 0.17 0.37 -1.61 0.00 0.00 178.31 177.64 1si6 h GLN 50 N -0.39 0.64 -0.05 1.51 4.15 -1.71 -2.76 115.11 116.50 1si6 h GLN 50 Ca -0.01 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 1si6 h GLN 50 Cb 0.33 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1si6 h GLN 50 CO 0.02 0.59 -0.10 1.15 -1.93 0.00 0.00 178.83 178.56 1si6 h THR 51 N 0.55 1.42 -4.45 2.39 2.02 -1.88 -3.49 112.91 109.47 1si6 h THR 51 Ca 0.14 -1.42 -0.10 0.00 0.77 0.00 0.00 66.41 65.81 1si6 h THR 51 Cb 0.19 2.24 0.08 0.00 -1.74 0.00 0.00 68.15 68.91 1si6 h THR 51 CO -0.01 0.39 -0.34 -0.67 0.37 0.00 0.00 175.52 175.26 1si6 n ASP 52 N -4.67 -5.02 0.23 4.18 4.64 -1.02 -4.96 116.55 109.93 1si6 n ASP 52 Ca -0.08 -0.29 0.09 0.00 -1.38 0.00 0.00 54.79 53.13 1si6 n ASP 52 Cb 0.35 -3.41 0.57 0.00 -1.04 0.00 0.00 41.12 37.59 1si6 n ASP 52 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1si6 h LYS 53 N -0.33 0.00 -0.01 -0.67 1.79 -1.89 -2.48 116.57 112.97 1si6 h LYS 53 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1si6 h LYS 53 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1si6 h LYS 53 CO 0.23 0.21 0.00 -0.35 -1.08 0.00 0.00 179.45 178.47 1si6 n PRO 54 N -3.74 1.28 -3.86 3.15 -0.04 -1.26 -4.98 135.00 125.55 1si6 n PRO 54 Ca -0.01 -0.41 -0.34 0.00 -0.04 0.00 0.00 63.50 62.69 1si6 n PRO 54 Cb 0.32 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.32 1si6 n PRO 54 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1si6 n GLN 55 N -0.49 -1.40 0.00 0.54 6.02 -0.94 -4.90 117.38 116.21 1si6 n GLN 55 Ca 0.21 0.34 0.07 0.00 -0.01 0.00 0.00 57.00 57.61 1si6 n GLN 55 Cb 0.21 -3.80 -0.08 0.00 1.02 0.00 0.00 30.24 27.60 1si6 n GLN 55 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1si6 n GLN 56 N -4.46 2.05 -0.24 -1.09 0.00 -1.26 -4.56 117.38 107.81 1si6 n GLN 56 Ca -0.15 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.00 56.74 1si6 n GLN 56 Cb 0.61 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.64 1si6 n GLN 56 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1si6 h GLY 57 N 3.51 -0.15 1.40 1.69 0.00 -1.92 -0.14 103.07 107.46 1si6 h GLY 57 Ca 0.00 0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1si6 h GLY 57 CO 0.00 -0.19 0.12 -2.55 0.00 0.00 0.00 176.54 173.92 1si6 h PRO 58 N -0.14 0.75 -0.42 4.80 0.11 -2.00 -1.74 132.00 133.37 1si6 h PRO 58 Ca 0.24 -0.14 -0.09 0.00 0.11 0.00 0.00 66.00 66.12 1si6 h PRO 58 Cb 0.56 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1si6 h PRO 58 CO -0.75 0.68 -0.10 0.00 -0.21 0.00 0.00 178.00 177.62 1si6 h ALA 59 N 1.41 1.04 -0.14 -0.75 0.00 -1.70 0.45 119.26 119.57 1si6 h ALA 59 Ca 0.16 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1si6 h ALA 59 Cb 0.27 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1si6 h ALA 59 CO -0.00 0.58 -0.14 0.00 0.00 0.00 0.00 179.25 179.69 1si6 h VAL 61 N -0.17 1.37 -0.30 0.00 2.07 -1.13 -0.39 116.25 117.70 1si6 h VAL 61 Ca 0.10 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1si6 h VAL 61 Cb 0.31 2.08 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 1si6 h VAL 61 CO -0.24 0.30 -0.11 0.50 0.02 0.00 0.00 177.57 178.04 1si6 h LYS 62 N -0.38 -0.04 -0.05 1.57 3.64 -0.84 0.06 116.57 120.52 1si6 h LYS 62 Ca 0.01 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.18 1si6 h LYS 62 Cb 0.50 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1si6 h LYS 62 CO 0.01 -0.03 -0.79 -0.91 -2.27 0.00 0.00 179.45 175.45 1si6 h ASN 63 N -0.05 0.79 -0.32 4.20 2.35 -0.89 -1.18 115.58 120.49 1si6 h ASN 63 Ca 0.15 -0.70 -0.09 0.00 -0.55 0.00 0.00 56.30 55.11 1si6 h ASN 63 Cb 0.27 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1si6 h ASN 63 CO -0.34 1.38 -0.15 -0.26 -1.65 0.00 0.00 177.43 176.41 1si6 h PHE 64 N 0.26 0.76 -0.21 1.19 -1.00 -1.02 -2.87 116.94 114.05 1si6 h PHE 64 Ca -0.09 -0.19 -0.12 0.00 2.81 0.00 0.00 57.97 60.39 1si6 h PHE 64 Cb 1.46 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.83 1si6 h PHE 64 CO 0.11 0.88 -0.38 1.96 -1.61 0.00 0.00 178.31 179.27 1si6 h GLN 65 N 0.43 0.48 -0.55 1.51 1.08 -0.98 -1.62 115.11 115.45 1si6 h GLN 65 Ca 0.07 -0.23 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 1si6 h GLN 65 Cb 0.68 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1si6 h GLN 65 CO 0.05 0.79 -0.04 0.77 -0.95 0.00 0.00 178.83 179.44 1si6 h SER 66 N 0.40 0.97 0.04 1.46 0.02 -1.25 -2.13 113.55 113.06 1si6 h SER 66 Ca 0.04 -0.28 -0.26 0.00 -0.84 0.00 0.00 61.79 60.45 1si6 h SER 66 Cb 0.85 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 63.14 1si6 h SER 66 CO 0.07 1.04 -1.02 0.25 -1.14 0.00 0.00 176.83 176.04 1si6 h LEU 67 N 0.90 0.87 0.06 5.07 5.85 -1.29 -3.39 115.31 123.39 1si6 h LEU 67 Ca 0.16 -0.69 -0.33 0.00 0.84 0.00 0.00 57.88 57.85 1si6 h LEU 67 Cb 0.58 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1si6 h LEU 67 CO 0.03 1.49 -1.90 0.18 -0.34 0.00 0.00 178.44 177.91 1si6 n LEU 68 N -3.84 1.79 -0.31 2.25 4.77 -0.63 -3.89 117.00 117.13 1si6 n LEU 68 Ca -0.10 0.28 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 1si6 n LEU 68 Cb 0.87 -0.50 0.14 0.00 -2.33 0.00 0.00 43.42 41.60 1si6 n LEU 68 CO 0.55 0.64 1.22 0.74 -1.33 0.00 0.00 177.39 179.22 1si6 h THR 69 N 0.04 1.24 0.00 -5.08 2.02 -1.57 -1.81 112.91 107.75 1si6 h THR 69 Ca -0.37 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1si6 h THR 69 Cb 2.03 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1si6 h THR 69 CO 0.08 0.25 0.00 -1.54 0.37 0.00 0.00 175.52 174.68 1si6 n SER 70 N -4.36 0.00 -0.72 4.18 3.41 -1.26 -2.41 113.62 112.46 1si6 n SER 70 Ca 0.10 0.36 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 1si6 n SER 70 Cb 0.06 -0.44 0.27 0.00 -0.26 0.00 0.00 64.21 63.84 1si6 n SER 70 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1si6 n LYS 71 N -1.44 1.95 0.00 4.33 5.02 -0.73 -4.96 118.16 122.33 1si6 n LYS 71 Ca 0.05 -1.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 1si6 n LYS 71 Cb 0.18 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1si6 n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1si6 n GLY 72 N 1.29 1.03 3.81 0.72 0.00 -1.01 -5.04 105.19 105.99 1si6 n GLY 72 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1si6 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1si6 s TYR 73 N -2.00 3.80 -0.17 1.61 1.51 -0.89 -0.87 117.35 120.34 1si6 s TYR 73 Ca 0.00 1.30 -0.06 0.00 -1.01 0.00 0.00 57.07 57.30 1si6 s TYR 73 Cb 0.00 -2.52 -0.04 0.00 -0.11 0.00 0.00 41.96 39.29 1si6 s TYR 73 CO 0.00 0.55 0.03 0.99 -1.11 0.00 0.00 175.55 176.01 1si6 s THR 74 N -1.17 4.49 -0.49 -0.71 2.01 0.41 -4.31 115.64 115.87 1si6 s THR 74 Ca 0.31 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1si6 s THR 74 Cb -0.19 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.33 1si6 s THR 74 CO 0.20 0.48 1.27 -0.75 -0.69 0.00 0.00 174.62 175.13 1si6 s LYS 75 N 0.32 3.58 0.04 4.92 2.20 -1.26 -0.51 119.74 129.04 1si6 s LYS 75 Ca 0.01 0.60 -0.20 0.00 -0.36 0.00 0.00 55.97 56.01 1si6 s LYS 75 Cb -0.13 -3.99 -0.14 0.00 -1.51 0.00 0.00 37.83 32.06 1si6 s LYS 75 CO 0.01 -1.58 1.36 -0.07 -0.36 0.00 0.00 175.35 174.72 1si6 h LEU 76 N 11.93 0.37 -7.00 5.43 3.38 -1.19 -3.47 115.31 124.76 1si6 h LEU 76 Ca -0.25 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.22 1si6 h LEU 76 Cb 1.08 -0.10 -0.21 0.00 0.09 0.00 0.00 40.66 41.52 1si6 h LEU 76 CO 1.14 0.75 0.20 -0.75 0.09 0.00 0.00 178.44 179.87 1si6 s LYS 77 N -4.39 0.89 -0.10 1.13 2.47 -1.14 -5.01 119.74 113.59 1si6 s LYS 77 Ca -0.14 0.65 0.03 0.00 -1.56 0.00 0.00 55.97 54.95 1si6 s LYS 77 Cb 0.05 0.43 0.00 0.00 -1.46 0.00 0.00 37.83 36.85 1si6 s LYS 77 CO 0.75 -0.19 -0.21 1.21 0.16 0.00 0.00 175.35 177.07 1si6 s ASN 78 N -0.29 2.83 -0.06 1.43 3.84 -1.26 -1.43 114.94 119.99 1si6 s ASN 78 Ca -0.04 -0.51 0.03 0.00 0.21 0.00 0.00 52.86 52.55 1si6 s ASN 78 Cb -0.03 -1.29 0.01 0.00 -0.55 0.00 0.00 41.25 39.38 1si6 s ASN 78 CO 0.04 0.11 -0.15 -0.89 -2.79 0.00 0.00 177.10 173.42 1si6 s THR 79 N 0.53 1.31 -0.01 -5.21 2.01 -0.02 -5.00 115.64 109.25 1si6 s THR 79 Ca -0.15 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1si6 s THR 79 Cb -0.17 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.17 1si6 s THR 79 CO 0.05 0.39 -0.09 0.27 -0.69 0.00 0.00 174.62 174.56 1si6 s ILE 80 N 0.43 0.72 0.00 1.82 -4.36 -1.26 -1.15 121.20 117.40 1si6 s ILE 80 Ca -0.12 -0.38 0.00 0.00 -0.26 0.00 0.00 60.65 59.90 1si6 s ILE 80 Cb -0.15 -0.61 0.00 0.00 1.25 0.00 0.00 42.46 42.95 1si6 s ILE 80 CO 0.04 0.21 0.00 0.35 0.24 0.00 0.00 174.94 175.78 1si6 n THR 81 N 2.94 0.00 0.28 8.37 -2.24 0.18 -4.78 114.28 119.04 1si6 n THR 81 Ca -0.14 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.80 1si6 n THR 81 Cb 0.56 0.00 0.66 0.00 -2.10 0.00 0.00 70.33 69.45 1si6 n THR 81 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1si6 h GLU 82 N 0.00 0.00 0.00 -0.78 4.39 -1.94 -2.42 114.58 113.83 1si6 h GLU 82 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1si6 h GLU 82 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1si6 h GLU 82 CO 0.00 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.10 1si6 n THR 83 N -3.04 0.00 -4.12 1.13 -2.24 -1.26 0.00 114.28 104.76 1si6 n THR 83 Ca 0.01 -0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 61.32 1si6 n THR 83 Cb 0.31 1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 69.48 1si6 n THR 83 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1si6 s MET 84 N -0.55 0.68 -0.00 -0.78 -1.94 -1.26 -1.01 119.30 114.43 1si6 s MET 84 Ca 0.00 -0.95 0.00 0.00 -1.71 0.00 0.00 55.69 53.03 1si6 s MET 84 Cb 0.00 -0.40 0.00 0.00 2.01 0.00 0.00 34.83 36.45 1si6 s MET 84 CO 0.00 0.06 -0.01 0.20 -0.01 0.00 0.00 175.02 175.27 1si6 s GLY 85 N -2.00 0.05 -0.07 -0.03 0.00 -0.66 -0.64 107.32 103.97 1si6 s GLY 85 Ca -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 44.72 44.67 1si6 s GLY 85 CO -0.00 0.05 0.14 -2.27 0.00 0.00 0.00 173.10 171.01 1si6 s LEU 86 N 0.10 0.38 -0.03 0.66 2.96 -0.30 -1.34 118.68 121.11 1si6 s LEU 86 Ca -0.01 0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1si6 s LEU 86 Cb -0.02 0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.92 1si6 s LEU 86 CO -0.00 -0.19 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.79 1si6 s THR 87 N 1.70 1.29 -0.08 3.68 2.01 -0.20 -0.84 115.64 123.19 1si6 s THR 87 Ca -0.03 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1si6 s THR 87 Cb -0.12 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.30 1si6 s THR 87 CO -0.05 0.37 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.40 1si6 s VAL 88 N -0.07 1.45 0.05 3.82 1.01 -0.52 -0.93 120.40 125.21 1si6 s VAL 88 Ca -0.00 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1si6 s VAL 88 Cb -0.09 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1si6 s VAL 88 CO 0.01 0.43 -0.19 -0.31 0.00 0.00 0.00 175.10 175.03 1si6 s TYR 89 N 0.67 2.52 0.00 5.22 1.51 0.63 -0.57 117.35 127.33 1si6 s TYR 89 Ca -0.14 -0.28 -0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1si6 s TYR 89 Cb -0.16 -1.43 -0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1si6 s TYR 89 CO 0.04 0.26 -0.00 0.00 -1.11 0.00 0.00 175.55 174.73 1si6 n LEU 91 N 2.85 3.38 -0.33 0.00 4.77 -0.54 -0.45 117.00 126.68 1si6 n LEU 91 Ca -0.14 1.07 0.25 0.00 -0.03 0.00 0.00 56.01 57.16 1si6 n LEU 91 Cb 0.59 -1.47 0.48 0.00 -2.33 0.00 0.00 43.42 40.69 1si6 n LEU 91 CO 0.25 -0.14 1.05 -0.08 -1.33 0.00 0.00 177.39 177.14 1si6 h GLU 92 N 6.41 0.17 0.00 3.23 4.22 -1.31 -2.31 114.58 124.99 1si6 h GLU 92 Ca -0.45 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1si6 h GLU 92 Cb 1.24 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1si6 h GLU 92 CO 0.91 0.11 0.00 1.57 -2.18 0.00 0.00 179.01 179.42 1si6 h LYS 93 N 0.17 0.00 0.00 1.92 2.10 -1.89 -2.45 116.57 116.43 1si6 h LYS 93 Ca 0.74 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.39 1si6 h LYS 93 Cb 1.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.10 1si6 h LYS 93 CO -0.70 0.00 -0.69 0.72 -2.00 0.00 0.00 179.45 176.78 1si6 n HIS 94 N -2.39 0.21 -3.01 0.07 8.25 -0.87 -4.96 115.22 112.52 1si6 n HIS 94 Ca 0.00 0.06 -0.38 0.00 -0.26 0.00 0.00 57.72 57.14 1si6 n HIS 94 Cb 0.14 -0.38 -0.06 0.00 1.12 0.00 0.00 29.99 30.81 1si6 n HIS 94 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1si6 s LEU 95 N -3.54 4.51 -0.15 2.41 1.43 -0.92 -4.60 118.68 117.82 1si6 s LEU 95 Ca 0.08 1.59 -0.03 0.00 -1.03 0.00 0.00 54.13 54.73 1si6 s LEU 95 Cb 0.16 -3.40 0.05 0.00 0.03 0.00 0.00 46.19 43.02 1si6 s LEU 95 CO 0.74 0.15 0.05 -0.62 0.23 0.00 0.00 176.35 176.89 1si6 s ASP 96 N -1.31 2.34 0.47 2.29 -1.08 -1.26 -5.05 116.67 113.07 1si6 s ASP 96 Ca 0.38 -0.54 0.18 0.00 -0.52 0.00 0.00 52.55 52.05 1si6 s ASP 96 Cb -0.21 -0.42 1.17 0.00 -1.46 0.00 0.00 42.92 42.00 1si6 s ASP 96 CO 0.24 -0.29 1.99 -0.61 0.52 0.00 0.00 175.17 177.02 1si6 h GLN 97 N 8.33 0.24 0.00 4.34 4.15 -1.97 -1.58 115.11 128.61 1si6 h GLN 97 Ca -0.16 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 1si6 h GLN 97 Cb 1.13 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.77 1si6 h GLN 97 CO 0.29 0.16 -0.03 -0.91 -1.93 0.00 0.00 178.83 176.41 1si6 h ASN 98 N 0.25 0.00 0.00 -0.69 2.35 -2.01 -3.31 115.58 112.17 1si6 h ASN 98 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1si6 h ASN 98 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1si6 h ASN 98 CO -0.05 0.03 0.00 1.07 -1.65 0.00 0.00 177.43 176.83 1si6 n THR 99 N -3.16 0.00 -0.10 2.81 5.66 -0.75 -4.84 114.28 113.91 1si6 n THR 99 Ca -0.00 -0.40 -0.12 0.00 -3.05 0.00 0.00 64.05 60.48 1si6 n THR 99 Cb 0.28 1.16 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 1si6 n THR 99 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1si6 h LEU 100 N 0.00 0.93 -3.15 1.09 5.85 -1.41 -3.40 115.31 115.23 1si6 h LEU 100 Ca 0.00 -0.43 -0.51 0.00 0.84 0.00 0.00 57.88 57.78 1si6 h LEU 100 Cb 0.08 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 40.86 1si6 h LEU 100 CO 0.00 1.21 -0.96 0.29 -0.34 0.00 0.00 178.44 178.64 1si6 n LYS 101 N -4.05 -1.25 -2.23 1.25 4.76 -1.26 -0.73 118.16 114.66 1si6 n LYS 101 Ca -0.02 0.30 -0.42 0.00 -2.87 0.00 0.00 58.31 55.30 1si6 n LYS 101 Cb 0.55 -3.66 -0.03 0.00 -1.84 0.00 0.00 35.03 30.05 1si6 n LYS 101 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1si6 s ASN 102 N -3.70 6.86 -0.11 4.39 2.47 -1.26 -4.43 114.94 119.15 1si6 s ASN 102 Ca 0.37 2.10 -0.07 0.00 0.42 0.00 0.00 52.86 55.68 1si6 s ASN 102 Cb -0.16 -2.56 0.04 0.00 -1.45 0.00 0.00 41.25 37.12 1si6 s ASN 102 CO 0.91 -0.72 0.28 -1.61 -3.72 0.00 0.00 177.10 172.24 1si6 s GLU 103 N 2.44 0.27 -0.02 0.43 2.02 -0.49 -5.01 118.70 118.35 1si6 s GLU 103 Ca 0.64 0.51 0.05 0.00 0.02 0.00 0.00 54.97 56.19 1si6 s GLU 103 Cb -0.31 -0.01 -0.01 0.00 0.10 0.00 0.00 34.13 33.90 1si6 s GLU 103 CO 0.26 -0.12 -0.15 0.99 0.02 0.00 0.00 175.26 176.26 1si6 s THR 104 N 0.89 1.23 0.21 3.63 2.01 -1.26 -0.36 115.64 121.99 1si6 s THR 104 Ca -0.06 -0.66 0.11 0.00 0.31 0.00 0.00 61.69 61.40 1si6 s THR 104 Cb -0.07 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1si6 s THR 104 CO -0.06 0.35 -0.23 0.27 -0.69 0.00 0.00 174.62 174.26 1si6 s ILE 105 N -0.31 2.35 -0.08 1.82 -4.36 -0.51 -4.99 121.20 115.11 1si6 s ILE 105 Ca 0.05 -2.11 0.04 0.00 -0.26 0.00 0.00 60.65 58.36 1si6 s ILE 105 Cb -0.07 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1si6 s ILE 105 CO -0.00 -0.19 -0.21 -0.63 0.24 0.00 0.00 174.94 174.15 1si6 s ILE 106 N -1.89 1.77 -0.12 8.37 1.01 -1.26 -1.26 121.20 127.82 1si6 s ILE 106 Ca 0.23 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 1si6 s ILE 106 Cb -0.07 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1si6 s ILE 106 CO 0.11 0.50 -0.12 -0.69 0.00 0.00 0.00 174.94 174.74 1si6 s VAL 107 N 0.32 3.17 -0.11 2.92 1.01 0.30 -4.99 120.40 123.03 1si6 s VAL 107 Ca -0.14 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1si6 s VAL 107 Cb -0.16 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1si6 s VAL 107 CO 0.06 0.53 -0.15 -0.89 0.00 0.00 0.00 175.10 174.66 1si6 s THR 108 N 0.20 2.93 -0.07 3.92 2.01 -1.26 -1.52 115.64 121.85 1si6 s THR 108 Ca -0.07 -0.72 0.13 0.00 0.31 0.00 0.00 61.69 61.34 1si6 s THR 108 Cb -0.15 -2.20 -0.20 0.00 0.01 0.00 0.00 72.50 69.97 1si6 s THR 108 CO 0.05 0.54 0.31 1.33 -0.69 0.00 0.00 174.62 176.16 1si6 n VAL 109 N 3.22 0.00 -4.45 3.82 0.24 -0.77 -4.97 118.33 115.42 1si6 n VAL 109 Ca -0.18 -0.29 -0.23 0.00 -2.04 0.00 0.00 64.34 61.60 1si6 n VAL 109 Cb 0.53 0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 33.07 1si6 n VAL 109 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1si6 s ASP 110 N -3.39 3.38 0.27 -1.34 -4.77 -1.26 -5.01 116.67 104.56 1si6 s ASP 110 Ca -0.04 -1.05 0.24 0.00 -3.30 0.00 0.00 52.55 48.40 1si6 s ASP 110 Cb 0.09 -0.27 1.02 0.00 -1.09 0.00 0.00 42.92 42.66 1si6 s ASP 110 CO 0.55 -0.03 1.71 -0.90 0.70 0.00 0.00 175.17 177.19 1si6 n ASP 111 N -0.59 0.67 -0.39 2.11 5.68 -1.26 -2.17 116.55 120.61 1si6 n ASP 111 Ca -0.06 0.68 0.13 0.00 -0.50 0.00 0.00 54.79 55.05 1si6 n ASP 111 Cb 0.60 -0.82 0.39 0.00 -1.14 0.00 0.00 41.12 40.15 1si6 n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1si6 n GLN 112 N -2.26 1.25 -2.52 0.11 1.13 -1.26 -4.97 117.38 108.86 1si6 n GLN 112 Ca 0.02 -0.78 -0.20 0.00 -1.94 0.00 0.00 57.00 54.09 1si6 n GLN 112 Cb 0.21 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1si6 n GLN 112 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1si6 n LYS 113 N -0.19 -2.32 -0.05 -1.09 5.02 -0.92 -4.91 118.16 113.70 1si6 n LYS 113 Ca 0.15 0.92 -0.11 0.00 -2.02 0.00 0.00 58.31 57.24 1si6 n LYS 113 Cb 0.37 -5.53 -0.14 0.00 -0.02 0.00 0.00 35.03 29.70 1si6 n LYS 113 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1si6 n LYS 114 N -3.10 0.67 -4.19 1.97 5.02 -1.26 -4.63 118.16 112.63 1si6 n LYS 114 Ca -0.20 0.19 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1si6 n LYS 114 Cb 0.66 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 1si6 n LYS 114 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1si6 s SER 115 N -6.08 4.66 0.00 4.39 0.01 -1.26 -4.67 113.70 110.75 1si6 s SER 115 Ca -0.11 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1si6 s SER 115 Cb 0.07 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.32 1si6 s SER 115 CO 0.80 0.16 0.00 0.61 0.41 0.00 0.00 173.24 175.22 1si6 n GLY 116 N 0.47 0.19 2.93 3.44 0.00 -0.37 -1.85 105.19 110.00 1si6 n GLY 116 Ca -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1si6 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1si6 n GLY 117 N 0.00 0.51 2.95 -0.02 0.00 -0.57 -0.99 105.19 107.06 1si6 n GLY 117 Ca 0.00 -1.03 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 1si6 n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1si6 s ILE 118 N -2.11 0.44 -0.10 -0.61 1.01 -0.29 -0.54 121.20 119.00 1si6 s ILE 118 Ca 0.20 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1si6 s ILE 118 Cb -0.01 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.08 1si6 s ILE 118 CO 0.01 0.14 -0.10 -0.69 0.00 0.00 0.00 174.94 174.30 1si6 s VAL 119 N 0.08 1.13 -0.15 2.92 1.01 -0.39 -1.58 120.40 123.43 1si6 s VAL 119 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1si6 s VAL 119 Cb -0.05 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1si6 s VAL 119 CO -0.00 0.37 -0.15 -0.89 0.00 0.00 0.00 175.10 174.43 1si6 s THR 120 N 1.24 2.72 0.08 3.92 2.01 0.24 -1.43 115.64 124.42 1si6 s THR 120 Ca -0.03 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.27 1si6 s THR 120 Cb -0.14 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1si6 s THR 120 CO -0.03 0.52 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.82 1si6 s SER 121 N 0.70 1.88 0.13 3.53 0.01 0.51 -0.75 113.70 119.71 1si6 s SER 121 Ca -0.07 -0.66 -0.24 0.00 1.31 0.00 0.00 55.95 56.29 1si6 s SER 121 Cb -0.16 -0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.08 1si6 s SER 121 CO 0.02 -0.06 0.68 0.72 0.41 0.00 0.00 173.24 175.00 1si6 s PHE 122 N -1.39 -0.47 -0.09 2.43 -0.12 -0.71 -1.39 117.98 116.23 1si6 s PHE 122 Ca 0.01 0.26 0.04 0.00 -0.05 0.00 0.00 56.93 57.19 1si6 s PHE 122 Cb -0.09 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.86 1si6 s PHE 122 CO 0.03 -0.80 -0.22 0.99 -0.05 0.00 0.00 175.22 175.17 1si6 s THR 123 N -3.61 2.27 -0.01 -4.49 2.01 0.09 -0.98 115.64 110.92 1si6 s THR 123 Ca 0.03 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1si6 s THR 123 Cb -0.01 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 1si6 s THR 123 CO -0.11 0.56 -0.11 0.27 -0.69 0.00 0.00 174.62 174.54 1si6 s ILE 124 N 0.20 0.85 -1.54 1.82 -4.36 -0.78 -4.13 121.20 113.26 1si6 s ILE 124 Ca -0.13 -0.44 -0.05 0.00 -0.26 0.00 0.00 60.65 59.76 1si6 s ILE 124 Cb -0.16 -0.73 0.01 0.00 1.25 0.00 0.00 42.46 42.83 1si6 s ILE 124 CO 0.07 0.25 0.61 -1.22 0.24 0.00 0.00 174.94 174.89 1si6 n TYR 125 N 2.95 -1.98 -1.97 1.37 4.02 -1.26 -1.79 117.16 118.50 1si6 n TYR 125 Ca -0.15 0.53 -0.18 0.00 -0.01 0.00 0.00 57.90 58.09 1si6 n TYR 125 Cb 0.56 -4.40 -0.04 0.00 -0.02 0.00 0.00 39.34 35.44 1si6 n TYR 125 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1si6 n ASN 126 N -2.52 -5.06 -4.26 7.72 5.15 -1.26 -4.98 115.26 110.05 1si6 n ASN 126 Ca -0.10 0.25 -0.31 0.00 -0.60 0.00 0.00 54.58 53.81 1si6 n ASN 126 Cb 0.61 -4.38 -0.17 0.00 -0.53 0.00 0.00 39.78 35.32 1si6 n ASN 126 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1si6 s LYS 127 N -4.29 2.59 -0.25 1.20 -0.14 -0.74 -5.09 119.74 113.02 1si6 s LYS 127 Ca 0.00 -0.90 -0.11 0.00 -1.36 0.00 0.00 55.97 53.60 1si6 s LYS 127 Cb 0.00 -2.17 -0.05 0.00 -1.68 0.00 0.00 37.83 33.94 1si6 s LYS 127 CO 0.00 0.36 0.19 0.50 -0.76 0.00 0.00 175.35 175.64 1si6 s ARG 128 N -0.11 4.04 -0.06 1.68 3.52 -1.26 -1.87 118.95 124.89 1si6 s ARG 128 Ca -0.05 -0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 55.26 1si6 s ARG 128 Cb -0.14 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1si6 s ARG 128 CO 0.04 -0.02 0.13 -0.06 -0.81 0.00 0.00 175.30 174.59 1si6 s PHE 129 N 1.28 3.49 -0.03 5.12 0.40 -0.16 -0.93 117.98 127.16 1si6 s PHE 129 Ca 0.08 0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 1si6 s PHE 129 Cb -0.14 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.54 1si6 s PHE 129 CO 0.07 0.66 -0.05 -1.12 0.70 0.00 0.00 175.22 175.47 1si6 s SER 130 N -1.43 0.86 -0.13 1.36 0.01 -0.09 -1.75 113.70 112.53 1si6 s SER 130 Ca 0.20 -0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.37 1si6 s SER 130 Cb -0.12 -0.29 0.01 0.00 0.21 0.00 0.00 66.02 65.83 1si6 s SER 130 CO 0.10 0.01 -0.22 -0.36 0.41 0.00 0.00 173.24 173.18 1si6 s PHE 131 N 0.44 2.60 -0.02 2.43 0.40 0.07 -1.31 117.98 122.59 1si6 s PHE 131 Ca -0.06 -1.24 0.05 0.00 -0.60 0.00 0.00 56.93 55.09 1si6 s PHE 131 Cb -0.09 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1si6 s PHE 131 CO 0.00 -0.55 -0.17 0.99 0.70 0.00 0.00 175.22 176.19 1si6 s THR 132 N 0.67 2.85 0.19 0.64 2.01 0.04 -0.60 115.64 121.45 1si6 s THR 132 Ca -0.11 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.07 1si6 s THR 132 Cb -0.16 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1si6 s THR 132 CO 0.02 0.52 -0.14 0.28 -0.69 0.00 0.00 174.62 174.61 1si6 s THR 133 N -0.77 1.66 0.18 -0.82 -1.32 -0.62 -0.82 115.64 113.14 1si6 s THR 133 Ca 0.12 -2.16 -0.12 0.00 -1.21 0.00 0.00 61.69 58.32 1si6 s THR 133 Cb -0.10 -1.99 0.01 0.00 -1.51 0.00 0.00 72.50 68.90 1si6 s THR 133 CO 0.02 -0.59 0.38 -0.94 -2.21 0.00 0.00 174.62 171.28 1si6 s SER 134 N -3.23 -0.08 -0.18 8.08 1.04 -1.26 -1.14 113.70 116.93 1si6 s SER 134 Ca 0.21 -0.70 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 1si6 s SER 134 Cb -0.01 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.67 1si6 s SER 134 CO 0.06 -0.96 0.43 -0.60 0.98 0.00 0.00 173.24 173.16 1si6 s ARG 135 N -3.93 0.41 0.02 4.02 3.00 -0.16 -4.47 118.95 117.84 1si6 s ARG 135 Ca 0.14 0.86 0.01 0.00 -1.00 0.00 0.00 55.73 55.73 1si6 s ARG 135 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 34.95 34.99 1si6 s ARG 135 CO -0.01 -0.17 -0.03 1.41 0.00 0.00 0.00 175.30 176.49 1si6 s MET 136 N 1.57 0.28 0.25 5.12 1.75 -1.26 -1.23 119.30 125.78 1si6 s MET 136 Ca -0.09 -0.43 -0.10 0.00 -1.25 0.00 0.00 55.69 53.83 1si6 s MET 136 Cb -0.09 -0.06 -0.07 0.00 2.84 0.00 0.00 34.83 37.46 1si6 s MET 136 CO -0.13 0.00 0.57 -1.54 -0.65 0.00 0.00 175.02 173.27 1si6 s SER 137 N -0.95 6.62 0.50 1.11 1.04 -1.26 -4.82 113.70 115.94 1si6 s SER 137 Ca -0.09 0.94 0.15 0.00 0.48 0.00 0.00 55.95 57.44 1si6 s SER 137 Cb -0.06 -2.24 1.19 0.00 0.10 0.00 0.00 66.02 65.01 1si6 s SER 137 CO -0.00 -0.10 2.11 0.44 0.98 0.00 0.00 173.24 176.67 1si6 h ASP 138 N 2.41 0.10 0.42 7.02 5.19 -1.98 -2.93 116.42 126.65 1si6 h ASP 138 Ca -0.47 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1si6 h ASP 138 Cb 1.17 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1si6 h ASP 138 CO 0.68 0.07 -0.44 -0.62 -3.12 0.00 0.00 179.24 175.81 1si6 n GLU 139 N -4.51 0.23 -2.00 3.56 1.02 -1.26 -4.82 120.64 112.85 1si6 n GLU 139 Ca -0.00 -0.14 -0.41 0.00 -0.02 0.00 0.00 57.16 56.59 1si6 n GLU 139 Cb 0.14 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 1si6 n GLU 139 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1si6 s ASP 140 N -2.86 6.54 0.21 1.62 -0.00 -1.11 -5.01 116.67 116.06 1si6 s ASP 140 Ca 0.15 2.80 -0.27 0.00 -0.00 0.00 0.00 52.55 55.22 1si6 s ASP 140 Cb 0.18 -2.65 -0.09 0.00 -0.00 0.00 0.00 42.92 40.36 1si6 s ASP 140 CO 0.65 -0.71 0.87 -0.69 -0.00 0.00 0.00 175.17 175.29 1si6 s VAL 141 N -1.16 4.22 0.15 -1.27 1.01 -1.26 -4.87 120.40 117.22 1si6 s VAL 141 Ca 0.52 1.89 -0.05 0.00 0.00 0.00 0.00 61.98 64.33 1si6 s VAL 141 Cb -0.42 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 1si6 s VAL 141 CO 0.55 0.48 0.18 0.42 0.00 0.00 0.00 175.10 176.74 1si6 s THR 142 N -1.21 0.08 -0.32 3.92 -4.23 -1.26 -4.94 115.64 107.67 1si6 s THR 142 Ca 0.40 -1.64 0.27 0.00 -1.18 0.00 0.00 61.69 59.54 1si6 s THR 142 Cb -0.24 -1.96 0.29 0.00 1.34 0.00 0.00 72.50 71.93 1si6 s THR 142 CO 0.29 -0.35 1.79 0.77 -0.54 0.00 0.00 174.62 176.58 1si6 h SER 143 N 2.68 0.00 -0.01 3.99 4.64 -1.91 -2.63 113.55 120.31 1si6 h SER 143 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1si6 h SER 143 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1si6 h SER 143 CO 0.53 0.00 -0.70 0.35 -0.87 0.00 0.00 176.83 176.13 1si6 n THR 144 N -2.48 0.00 -2.30 2.95 -2.24 -1.26 -4.96 114.28 103.99 1si6 n THR 144 Ca 0.02 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1si6 n THR 144 Cb 0.26 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1si6 n THR 144 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1si6 n ASN 145 N -0.83 -3.85 -4.53 3.42 4.05 -0.99 -4.99 115.26 107.53 1si6 n ASN 145 Ca 0.06 0.21 -0.25 0.00 0.45 0.00 0.00 54.58 55.04 1si6 n ASN 145 Cb 0.36 -3.31 -0.10 0.00 1.23 0.00 0.00 39.78 37.96 1si6 n ASN 145 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1si6 s THR 146 N -2.55 1.51 -1.64 -0.44 -4.23 -1.26 -5.00 115.64 102.03 1si6 s THR 146 Ca 0.00 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 1si6 s THR 146 Cb 0.00 -2.82 0.41 0.00 1.34 0.00 0.00 72.50 71.43 1si6 s THR 146 CO 0.00 0.00 1.80 2.29 -0.54 0.00 0.00 174.62 178.17 1si6 n LYS 147 N -0.86 0.69 -2.58 3.99 2.85 -1.26 -4.71 118.16 116.28 1si6 n LYS 147 Ca -0.05 -0.27 -0.35 0.00 -1.05 0.00 0.00 58.31 56.59 1si6 n LYS 147 Cb 0.67 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.51 1si6 n LYS 147 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1si6 s TYR 148 N -2.50 3.16 -1.49 5.58 4.12 -1.26 -4.66 117.35 120.30 1si6 s TYR 148 Ca 0.27 1.61 -0.08 0.00 0.02 0.00 0.00 57.07 58.89 1si6 s TYR 148 Cb 0.20 -3.06 0.01 0.00 -1.52 0.00 0.00 41.96 37.58 1si6 s TYR 148 CO 0.49 -0.64 2.67 0.00 0.02 0.00 0.00 175.55 178.09 1si6 n ALA 149 N -0.53 7.13 -2.34 3.71 0.00 0.06 -4.85 120.51 123.69 1si6 n ALA 149 Ca 0.07 -3.79 -0.31 0.00 0.00 0.00 0.00 53.44 49.41 1si6 n ALA 149 Cb 0.51 -3.13 -0.15 0.00 0.00 0.00 0.00 19.45 16.68 1si6 n ALA 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1si6 s TYR 150 N 0.83 2.38 -0.06 0.00 5.04 -1.26 -4.70 117.35 119.58 1si6 s TYR 150 Ca 0.62 -0.40 -0.08 0.00 -2.44 0.00 0.00 57.07 54.77 1si6 s TYR 150 Cb 0.18 -1.51 0.02 0.00 0.35 0.00 0.00 41.96 41.00 1si6 s TYR 150 CO -0.07 0.01 0.21 0.34 -1.34 0.00 0.00 175.55 174.70 1si6 s ASP 151 N -0.70 -0.17 0.49 4.32 -1.08 -1.26 -4.81 116.67 113.46 1si6 s ASP 151 Ca 0.10 0.27 0.26 0.00 -0.52 0.00 0.00 52.55 52.67 1si6 s ASP 151 Cb -0.10 0.38 1.25 0.00 -1.46 0.00 0.00 42.92 42.99 1si6 s ASP 151 CO -0.00 -0.17 1.97 0.71 0.52 0.00 0.00 175.17 178.20 1si6 h THR 152 N 4.61 0.54 0.00 1.71 1.35 -2.00 -1.16 112.91 117.96 1si6 h THR 152 Ca -0.27 -0.77 -0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1si6 h THR 152 Cb 1.19 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1si6 h THR 152 CO 0.38 0.16 -0.00 0.03 -0.25 0.00 0.00 175.52 175.84 1si6 h ARG 153 N 0.00 0.00 -0.02 4.72 3.08 -1.96 -2.24 114.38 117.97 1si6 h ARG 153 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1si6 h ARG 153 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1si6 h ARG 153 CO 0.02 0.00 -0.19 1.28 -1.07 0.00 0.00 179.97 180.01 1si6 n LEU 154 N -3.09 1.73 -4.23 3.04 4.77 -0.44 -4.80 117.00 113.97 1si6 n LEU 154 Ca -0.01 -0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 1si6 n LEU 154 Cb 0.19 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1si6 n LEU 154 CO 0.24 0.30 0.07 -0.62 -1.33 0.00 0.00 177.39 176.05 1si6 s ASP 155 N -2.28 5.89 -0.01 -1.43 -1.08 -0.84 -4.86 116.67 112.05 1si6 s ASP 155 Ca 0.27 -2.07 0.06 0.00 -0.52 0.00 0.00 52.55 50.29 1si6 s ASP 155 Cb 0.20 -2.06 0.21 0.00 -1.46 0.00 0.00 42.92 39.80 1si6 s ASP 155 CO 0.44 -0.68 1.11 -1.22 0.52 0.00 0.00 175.17 175.34 1si6 n TYR 156 N 4.73 0.36 0.88 -5.34 4.02 -1.26 -1.81 117.16 118.74 1si6 n TYR 156 Ca -0.05 -0.16 0.12 0.00 -0.01 0.00 0.00 57.90 57.80 1si6 n TYR 156 Cb 0.41 -0.04 0.19 0.00 -0.02 0.00 0.00 39.34 39.88 1si6 n TYR 156 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1si6 n SER 157 N 0.16 0.57 -2.76 7.72 3.41 -1.26 -2.53 113.62 118.93 1si6 n SER 157 Ca 0.08 -0.22 -0.34 0.00 -0.26 0.00 0.00 58.87 58.12 1si6 n SER 157 Cb 0.25 0.34 0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1si6 n SER 157 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1si6 n LYS 158 N -1.65 3.10 -4.47 4.33 5.02 -0.75 -4.81 118.16 118.92 1si6 n LYS 158 Ca 0.05 -3.98 -0.24 0.00 -2.02 0.00 0.00 58.31 52.12 1si6 n LYS 158 Cb 0.36 -2.27 -0.10 0.00 -0.02 0.00 0.00 35.03 33.01 1si6 n LYS 158 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1si6 s LYS 159 N -3.85 1.68 0.37 1.97 1.02 -1.26 -5.00 119.74 114.67 1si6 s LYS 159 Ca 0.50 -1.78 0.06 0.00 0.02 0.00 0.00 55.97 54.77 1si6 s LYS 159 Cb 0.42 -1.74 0.72 0.00 -0.52 0.00 0.00 37.83 36.71 1si6 s LYS 159 CO -0.31 0.31 1.95 -0.44 -0.92 0.00 0.00 175.35 175.94 1si6 h ASP 160 N 2.26 0.46 -3.51 2.83 3.45 -1.94 -3.26 116.42 116.70 1si6 h ASP 160 Ca -0.40 -0.06 -0.63 0.00 0.43 0.00 0.00 57.03 56.37 1si6 h ASP 160 Cb 1.26 -0.12 -0.41 0.00 -0.56 0.00 0.00 39.33 39.50 1si6 h ASP 160 CO 0.61 0.46 -0.58 -0.62 -1.57 0.00 0.00 179.24 177.54 1si6 s ASP 161 N -6.73 4.70 0.57 6.45 2.15 -1.26 -5.11 116.67 117.45 1si6 s ASP 161 Ca -0.08 -3.59 -0.18 0.00 0.43 0.00 0.00 52.55 49.13 1si6 s ASP 161 Cb 0.16 -1.65 -0.05 0.00 -0.30 0.00 0.00 42.92 41.09 1si6 s ASP 161 CO 0.75 -0.13 1.12 -2.16 -0.17 0.00 0.00 175.17 174.57 1si6 s PRO 162 N -1.10 3.25 0.82 4.34 0.04 -1.23 -5.00 135.00 136.11 1si6 s PRO 162 Ca 0.22 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 1si6 s PRO 162 Cb -0.11 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.52 1si6 s PRO 162 CO -0.11 -0.92 1.18 -1.12 0.04 0.00 0.00 177.00 176.07 1si6 s SER 163 N -2.02 3.58 0.08 6.66 0.01 -1.05 -4.76 113.70 116.20 1si6 s SER 163 Ca 0.71 2.28 -0.12 0.00 1.31 0.00 0.00 55.95 60.12 1si6 s SER 163 Cb -0.22 -2.58 -0.22 0.00 0.21 0.00 0.00 66.02 63.21 1si6 s SER 163 CO 0.30 -2.67 1.19 0.44 0.41 0.00 0.00 173.24 172.92 1si6 h ASP 164 N -1.07 0.83 -3.26 2.44 5.19 -1.41 -2.04 116.42 117.11 1si6 h ASP 164 Ca -0.45 -0.69 -0.48 0.00 -0.62 0.00 0.00 57.03 54.79 1si6 h ASP 164 Cb 1.28 -0.26 -0.37 0.00 0.18 0.00 0.00 39.33 40.17 1si6 h ASP 164 CO 0.46 1.49 -0.79 -0.36 -3.12 0.00 0.00 179.24 176.93 1si6 s PHE 165 N -3.23 1.07 -0.05 4.55 0.40 -0.63 -3.83 117.98 116.26 1si6 s PHE 165 Ca -0.09 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 1si6 s PHE 165 Cb 0.07 -0.98 -0.00 0.00 0.51 0.00 0.00 43.02 42.62 1si6 s PHE 165 CO 0.91 -0.39 -0.17 -0.51 0.70 0.00 0.00 175.22 175.76 1si6 s LEU 166 N 1.66 1.89 0.00 -0.37 1.02 0.40 -0.92 118.68 122.37 1si6 s LEU 166 Ca 0.02 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 53.83 1si6 s LEU 166 Cb -0.13 -1.01 -0.01 0.00 0.02 0.00 0.00 46.19 45.06 1si6 s LEU 166 CO -0.05 0.14 -0.10 -0.36 0.02 0.00 0.00 176.35 175.99 1si6 s PHE 167 N 0.18 0.88 -0.13 0.29 0.40 -0.43 -1.56 117.98 117.62 1si6 s PHE 167 Ca -0.08 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1si6 s PHE 167 Cb -0.13 -0.56 0.03 0.00 0.51 0.00 0.00 43.02 42.87 1si6 s PHE 167 CO 0.03 -0.01 -0.05 -0.46 0.70 0.00 0.00 175.22 175.43 1si6 s TRP 168 N -0.37 1.43 -0.02 0.36 -0.11 -0.45 -0.78 118.94 119.01 1si6 s TRP 168 Ca 0.03 -0.79 0.02 0.00 1.22 0.00 0.00 56.10 56.58 1si6 s TRP 168 Cb -0.05 -1.20 0.00 0.00 -1.50 0.00 0.00 33.47 30.73 1si6 s TRP 168 CO -0.00 -0.53 -0.07 0.96 -4.62 0.00 0.00 176.95 172.69 1si6 s ILE 169 N 1.72 0.58 -5.00 5.86 -4.36 0.00 -0.79 121.20 119.22 1si6 s ILE 169 Ca 0.03 -0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.15 1si6 s ILE 169 Cb -0.14 -0.52 0.00 0.00 1.25 0.00 0.00 42.46 43.05 1si6 s ILE 169 CO -0.08 0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.90 1si6 n GLY 170 N 3.18 0.33 3.56 6.27 0.00 -0.91 -4.14 105.19 113.48 1si6 n GLY 170 Ca -0.16 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 1si6 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1si6 s ASP 171 N -0.87 6.47 0.00 1.61 -1.08 -1.26 -0.97 116.67 120.57 1si6 s ASP 171 Ca 0.00 0.05 0.31 0.00 -0.52 0.00 0.00 52.55 52.39 1si6 s ASP 171 Cb 0.00 -2.47 1.81 0.00 -1.46 0.00 0.00 42.92 40.80 1si6 s ASP 171 CO 0.00 -1.17 2.18 0.18 0.52 0.00 0.00 175.17 176.88 1si6 n LEU 172 N 7.46 0.00 -1.14 -1.34 4.77 -1.22 -4.60 117.00 120.94 1si6 n LEU 172 Ca 0.06 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1si6 n LEU 172 Cb 0.48 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1si6 n LEU 172 CO 0.66 -0.00 -0.13 -3.20 -1.33 0.00 0.00 177.39 173.38 1si6 n ASN 173 N -1.07 -4.28 -4.76 -1.43 5.15 -1.26 -0.76 115.26 106.84 1si6 n ASN 173 Ca 0.22 0.18 -0.37 0.00 -0.60 0.00 0.00 54.58 54.01 1si6 n ASN 173 Cb 0.14 -3.12 -0.06 0.00 -0.53 0.00 0.00 39.78 36.21 1si6 n ASN 173 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1si6 s VAL 174 N -2.52 5.18 0.38 3.44 1.01 -1.26 -4.62 120.40 122.01 1si6 s VAL 174 Ca 0.00 0.78 0.04 0.00 0.00 0.00 0.00 61.98 62.80 1si6 s VAL 174 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1si6 s VAL 174 CO 0.00 0.43 0.12 -0.13 0.00 0.00 0.00 175.10 175.52 1si6 s ARG 175 N 0.01 1.85 -0.27 2.72 1.81 -1.26 -4.58 118.95 119.24 1si6 s ARG 175 Ca 0.22 -2.11 -0.19 0.00 -1.72 0.00 0.00 55.73 51.94 1si6 s ARG 175 Cb -0.15 -0.58 -0.02 0.00 -0.45 0.00 0.00 34.95 33.75 1si6 s ARG 175 CO 0.09 -0.43 0.56 0.08 -0.68 0.00 0.00 175.30 174.92 1si6 s VAL 176 N -3.27 5.02 -1.18 3.52 1.01 -1.26 -1.35 120.40 122.88 1si6 s VAL 176 Ca 0.27 0.94 -0.07 0.00 0.00 0.00 0.00 61.98 63.12 1si6 s VAL 176 Cb 0.04 -3.89 0.24 0.00 0.00 0.00 0.00 36.38 32.77 1si6 s VAL 176 CO 0.15 0.03 1.69 1.21 0.00 0.00 0.00 175.10 178.18 1si6 n GLU 177 N 5.64 4.05 -3.97 2.72 2.13 0.25 -4.88 120.64 126.59 1si6 n GLU 177 Ca -0.03 -4.02 -0.12 0.00 0.66 0.00 0.00 57.16 53.65 1si6 n GLU 177 Cb 0.49 -2.72 -0.01 0.00 0.27 0.00 0.00 31.44 29.47 1si6 n GLU 177 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1si6 s THR 178 N -1.17 0.00 0.60 6.31 -1.32 -1.26 -4.92 115.64 113.88 1si6 s THR 178 Ca 0.35 -1.34 -0.12 0.00 -1.21 0.00 0.00 61.69 59.37 1si6 s THR 178 Cb 0.07 -2.75 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 1si6 s THR 178 CO 0.06 0.00 1.02 0.54 -2.21 0.00 0.00 174.62 174.03 1si6 s ASN 179 N -3.17 6.23 0.30 8.08 2.20 -1.26 -4.83 114.94 122.49 1si6 s ASN 179 Ca 0.24 1.48 -0.00 0.00 -0.94 0.00 0.00 52.86 53.64 1si6 s ASN 179 Cb -0.02 -2.48 0.46 0.00 -2.00 0.00 0.00 41.25 37.20 1si6 s ASN 179 CO 0.17 -0.87 1.86 0.00 -2.94 0.00 0.00 177.10 175.32 1si6 h ALA 180 N -0.06 1.28 -0.16 3.54 0.00 -1.91 -2.17 119.26 119.79 1si6 h ALA 180 Ca -0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1si6 h ALA 180 Cb 1.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1si6 h ALA 180 CO 0.61 0.51 0.06 1.15 0.00 0.00 0.00 179.25 181.58 1si6 h THR 181 N 0.78 1.17 -0.48 0.00 2.02 -1.94 -0.38 112.91 114.09 1si6 h THR 181 Ca 0.18 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 1si6 h THR 181 Cb 0.24 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1si6 h THR 181 CO -0.01 0.16 0.01 -0.74 0.37 0.00 0.00 175.52 175.32 1si6 h HIS 182 N 0.09 0.91 -0.31 3.16 6.17 -1.94 -1.10 115.15 122.13 1si6 h HIS 182 Ca 0.05 -0.15 -0.01 0.00 0.71 0.00 0.00 60.37 60.97 1si6 h HIS 182 Cb 0.20 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.88 1si6 h HIS 182 CO -0.01 0.86 0.16 0.00 0.71 0.00 0.00 177.93 179.65 1si6 h ALA 183 N 0.93 0.39 -0.38 5.26 0.00 -1.33 -1.29 119.26 122.84 1si6 h ALA 183 Ca 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1si6 h ALA 183 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1si6 h ALA 183 CO 0.02 -0.06 -0.01 -0.22 0.00 0.00 0.00 179.25 178.98 1si6 h LYS 184 N 0.37 0.61 -0.43 0.00 1.63 -0.93 -0.81 116.57 117.01 1si6 h LYS 184 Ca 0.11 -0.15 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1si6 h LYS 184 Cb 0.09 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 1si6 h LYS 184 CO -0.02 0.64 0.28 1.03 -3.45 0.00 0.00 179.45 177.94 1si6 h SER 185 N 0.58 0.48 -0.40 4.20 0.87 -0.81 0.81 113.55 119.27 1si6 h SER 185 Ca 0.12 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1si6 h SER 185 Cb 0.39 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1si6 h SER 185 CO 0.01 0.35 0.04 -0.07 -0.53 0.00 0.00 176.83 176.63 1si6 h LEU 186 N 0.57 0.72 -0.08 2.23 3.38 -0.73 -1.86 115.31 119.55 1si6 h LEU 186 Ca 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1si6 h LEU 186 Cb -0.05 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1si6 h LEU 186 CO -0.04 0.76 0.05 0.58 0.09 0.00 0.00 178.44 179.88 1si6 h VAL 187 N 0.72 1.06 0.00 1.22 2.07 -0.69 -0.17 116.25 120.46 1si6 h VAL 187 Ca 0.15 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1si6 h VAL 187 Cb 0.38 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1si6 h VAL 187 CO 0.01 0.05 -0.12 0.44 0.02 0.00 0.00 177.57 177.98 1si6 h ASP 188 N 0.06 0.00 0.02 0.57 3.32 -0.48 0.20 116.42 120.11 1si6 h ASP 188 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1si6 h ASP 188 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1si6 h ASP 188 CO -0.01 0.12 -0.01 0.00 -1.72 0.00 0.00 179.24 177.62 1si6 n GLN 189 N -4.24 1.38 -3.53 3.56 6.02 -0.73 -4.94 117.38 114.90 1si6 n GLN 189 Ca -0.03 -0.60 -0.26 0.00 -0.01 0.00 0.00 57.00 56.10 1si6 n GLN 189 Cb 0.19 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 29.98 1si6 n GLN 189 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1si6 n ASN 190 N -0.28 -4.60 -4.26 1.08 5.15 0.06 -4.90 115.26 107.51 1si6 n ASN 190 Ca 0.20 -0.53 -0.44 0.00 -0.60 0.00 0.00 54.58 53.21 1si6 n ASN 190 Cb 0.27 -3.73 0.00 0.00 -0.53 0.00 0.00 39.78 35.80 1si6 n ASN 190 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1si6 n ASN 191 N -2.55 5.49 -0.11 1.20 2.85 -0.14 -4.79 115.26 117.21 1si6 n ASN 191 Ca -0.01 -3.09 -0.12 0.00 -0.11 0.00 0.00 54.58 51.26 1si6 n ASN 191 Cb 0.55 -1.45 -0.03 0.00 1.24 0.00 0.00 39.78 40.09 1si6 n ASN 191 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1si6 h ILE 192 N 3.98 1.29 -0.19 -1.44 1.08 -1.91 -1.81 117.51 118.50 1si6 h ILE 192 Ca 0.27 -1.18 -0.11 0.00 -0.39 0.00 0.00 64.86 63.45 1si6 h ILE 192 Cb 0.79 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1si6 h ILE 192 CO 1.25 0.38 -0.35 0.44 -0.69 0.00 0.00 178.15 179.18 1si6 h ASP 193 N 0.40 0.42 -0.68 1.72 3.32 -1.87 0.72 116.42 120.44 1si6 h ASP 193 Ca 0.08 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1si6 h ASP 193 Cb 0.62 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1si6 h ASP 193 CO 0.04 0.74 0.17 1.23 -1.72 0.00 0.00 179.24 179.70 1si6 h GLY 194 N 1.10 1.18 1.37 2.75 0.00 -1.88 -2.31 103.07 105.28 1si6 h GLY 194 Ca 0.04 -0.73 -0.25 0.00 0.00 0.00 0.00 47.33 46.39 1si6 h GLY 194 CO 0.06 0.68 -1.03 -2.00 0.00 0.00 0.00 176.54 174.25 1si6 h LEU 195 N 1.05 0.74 -2.33 3.11 5.85 -0.92 -3.05 115.31 119.75 1si6 h LEU 195 Ca 0.22 -0.61 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1si6 h LEU 195 Cb 0.36 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1si6 h LEU 195 CO 0.00 1.41 0.18 -0.03 -0.34 0.00 0.00 178.44 179.66 1si6 h MET 196 N 0.30 0.00 -0.12 1.25 4.05 -0.76 -0.98 114.93 118.68 1si6 h MET 196 Ca -0.12 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1si6 h MET 196 Cb 1.68 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.48 1si6 h MET 196 CO 0.19 0.00 0.16 0.00 0.23 0.00 0.00 176.91 177.49 1si6 h ALA 197 N 1.76 1.62 -0.01 0.39 0.00 -1.30 -1.32 119.26 120.40 1si6 h ALA 197 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1si6 h ALA 197 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1si6 h ALA 197 CO -0.00 -0.22 -0.71 1.19 0.00 0.00 0.00 179.25 179.51 1si6 n PHE 198 N -3.62 0.00 -1.89 0.00 3.01 -0.37 -4.96 117.46 109.62 1si6 n PHE 198 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 1si6 n PHE 198 Cb 0.26 -0.03 0.01 0.00 -0.01 0.00 0.00 39.48 39.71 1si6 n PHE 198 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1si6 s ASP 199 N -2.77 6.00 0.00 4.37 2.15 -0.50 -0.58 116.67 125.34 1si6 s ASP 199 Ca 0.13 2.82 0.29 0.00 0.43 0.00 0.00 52.55 56.23 1si6 s ASP 199 Cb 0.17 -2.65 1.37 0.00 -0.30 0.00 0.00 42.92 41.51 1si6 s ASP 199 CO 0.72 -1.08 1.95 0.00 -0.17 0.00 0.00 175.17 176.59 1si6 n GLN 200 N -0.12 0.57 -0.28 4.34 6.02 -0.46 -3.95 117.38 123.51 1si6 n GLN 200 Ca 0.05 -0.12 -0.04 0.00 -0.01 0.00 0.00 57.00 56.88 1si6 n GLN 200 Cb 0.43 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.26 1si6 n GLN 200 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1si6 h LEU 201 N 0.29 0.87 -1.32 1.08 5.85 -1.92 -0.21 115.31 119.95 1si6 h LEU 201 Ca 0.00 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1si6 h LEU 201 Cb 0.32 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1si6 h LEU 201 CO 0.00 0.63 -0.19 0.07 -0.34 0.00 0.00 178.44 178.61 1si6 h LYS 202 N 1.02 0.23 -0.40 1.25 2.10 -1.95 -0.60 116.57 118.22 1si6 h LYS 202 Ca 0.28 -0.06 -0.05 0.00 -2.00 0.00 0.00 60.65 58.82 1si6 h LYS 202 Cb -0.11 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.18 1si6 h LYS 202 CO -0.07 0.42 0.06 0.87 -2.00 0.00 0.00 179.45 178.73 1si6 h LYS 203 N 0.21 0.66 -0.62 0.07 1.57 -1.53 -0.94 116.57 115.99 1si6 h LYS 203 Ca 0.04 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1si6 h LYS 203 Cb 0.46 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1si6 h LYS 203 CO 0.03 0.72 0.33 0.00 -0.57 0.00 0.00 179.45 179.96 1si6 h ALA 204 N 0.92 0.82 -0.09 3.86 0.00 -0.63 -2.31 119.26 121.83 1si6 h ALA 204 Ca 0.12 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1si6 h ALA 204 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1si6 h ALA 204 CO 0.01 -0.00 -0.33 0.87 0.00 0.00 0.00 179.25 179.80 1si6 h LYS 205 N 0.62 0.18 -0.27 0.00 1.57 -0.96 -1.17 116.57 116.54 1si6 h LYS 205 Ca 0.28 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1si6 h LYS 205 Cb 0.18 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1si6 h LYS 205 CO -0.18 0.50 -0.01 0.93 -0.57 0.00 0.00 179.45 180.12 1si6 h GLU 206 N 0.16 0.41 -0.29 3.15 5.08 -0.64 -0.97 114.58 121.48 1si6 h GLU 206 Ca 0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1si6 h GLU 206 Cb 0.67 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1si6 h GLU 206 CO 0.05 0.45 0.00 1.04 -1.00 0.00 0.00 179.01 179.55 1si6 n GLN 207 N -4.32 1.21 -2.16 2.33 6.02 -0.83 -4.91 117.38 114.73 1si6 n GLN 207 Ca 0.01 -0.26 -0.15 0.00 -0.01 0.00 0.00 57.00 56.59 1si6 n GLN 207 Cb 0.22 -1.18 -0.01 0.00 1.02 0.00 0.00 30.24 30.29 1si6 n GLN 207 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1si6 n LYS 208 N -0.21 -1.15 -3.88 -1.09 4.76 -0.37 -5.02 118.16 111.21 1si6 n LYS 208 Ca 0.02 0.75 -0.32 0.00 -2.87 0.00 0.00 58.31 55.89 1si6 n LYS 208 Cb 0.13 -5.04 -0.04 0.00 -1.84 0.00 0.00 35.03 28.24 1si6 n LYS 208 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1si6 s LEU 209 N -4.08 4.36 -1.46 -0.35 1.43 -0.50 -4.35 118.68 113.73 1si6 s LEU 209 Ca 0.00 0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 1si6 s LEU 209 Cb 0.00 -2.85 0.04 0.00 0.03 0.00 0.00 46.19 43.41 1si6 s LEU 209 CO 0.00 0.20 0.96 0.49 0.23 0.00 0.00 176.35 178.22 1si6 n PHE 210 N 0.56 -2.43 -1.82 0.29 3.01 -1.26 -3.52 117.46 112.29 1si6 n PHE 210 Ca -0.07 0.85 -0.42 0.00 1.01 0.00 0.00 57.45 58.81 1si6 n PHE 210 Cb 0.52 -4.38 -0.03 0.00 -0.01 0.00 0.00 39.48 35.57 1si6 n PHE 210 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1si6 s ASP 211 N -3.15 6.54 0.00 4.37 3.68 -1.26 -1.98 116.67 124.86 1si6 s ASP 211 Ca 0.56 2.53 0.00 0.00 2.13 0.00 0.00 52.55 57.76 1si6 s ASP 211 Cb -0.26 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.67 1si6 s ASP 211 CO 0.69 -0.98 0.00 0.61 0.13 0.00 0.00 175.17 175.61 1si6 n GLY 212 N 4.29 0.84 3.81 2.66 0.00 -1.26 -5.02 105.19 110.51 1si6 n GLY 212 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1si6 n GLY 212 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1si6 s TRP 213 N -3.32 3.78 -0.05 1.61 0.52 -0.84 -4.81 118.94 115.84 1si6 s TRP 213 Ca 0.00 1.24 0.04 0.00 0.02 0.00 0.00 56.10 57.40 1si6 s TRP 213 Cb 0.00 -2.49 -0.02 0.00 -1.15 0.00 0.00 33.47 29.80 1si6 s TRP 213 CO 0.00 0.56 -0.16 0.99 0.02 0.00 0.00 176.95 178.36 1si6 s THR 214 N -0.98 2.93 -0.14 2.01 2.01 -0.63 -4.91 115.64 115.92 1si6 s THR 214 Ca 0.29 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 1si6 s THR 214 Cb -0.19 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1si6 s THR 214 CO 0.18 0.59 0.07 -0.70 -0.69 0.00 0.00 174.62 174.07 1si6 s GLU 215 N -0.67 3.60 0.71 4.92 2.12 -1.26 -0.68 118.70 127.44 1si6 s GLU 215 Ca 0.10 -0.30 -0.16 0.00 0.36 0.00 0.00 54.97 54.97 1si6 s GLU 215 Cb -0.11 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 1si6 s GLU 215 CO 0.01 0.51 0.82 -2.30 -0.54 0.00 0.00 175.26 173.76 1si6 n PRO 216 N 2.79 0.46 -1.64 4.30 -0.02 -1.26 -4.88 135.00 134.77 1si6 n PRO 216 Ca -0.18 0.21 -0.48 0.00 -2.02 0.00 0.00 63.50 61.03 1si6 n PRO 216 Cb 0.53 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1si6 n PRO 216 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1si6 n GLN 217 N -1.43 1.71 -3.42 -0.52 7.27 -1.26 -4.96 117.38 114.78 1si6 n GLN 217 Ca 0.12 0.62 -0.39 0.00 0.07 0.00 0.00 57.00 57.42 1si6 n GLN 217 Cb 0.49 -2.30 -0.09 0.00 2.41 0.00 0.00 30.24 30.76 1si6 n GLN 217 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1si6 s VAL 218 N 0.51 5.20 -0.33 1.69 1.01 -1.26 -4.85 120.40 122.36 1si6 s VAL 218 Ca 0.78 0.56 0.03 0.00 0.00 0.00 0.00 61.98 63.35 1si6 s VAL 218 Cb -0.78 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 31.94 1si6 s VAL 218 CO 0.44 0.19 0.55 0.35 0.00 0.00 0.00 175.10 176.63 1si6 n THR 219 N 4.90 0.00 -3.96 3.92 -2.24 -1.26 -4.82 114.28 110.82 1si6 n THR 219 Ca -0.09 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 60.94 1si6 n THR 219 Cb 0.51 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 1si6 n THR 219 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1si6 s PHE 220 N -0.32 3.44 0.77 4.78 -0.12 -1.26 -5.00 117.98 120.27 1si6 s PHE 220 Ca 0.03 0.08 -0.11 0.00 -0.05 0.00 0.00 56.93 56.89 1si6 s PHE 220 Cb 0.02 -1.63 0.06 0.00 -0.63 0.00 0.00 43.02 40.84 1si6 s PHE 220 CO 0.04 0.51 1.09 0.15 -0.05 0.00 0.00 175.22 176.96 1si6 s LYS 221 N -3.32 2.26 0.28 1.99 1.02 -1.26 -4.94 119.74 115.77 1si6 s LYS 221 Ca 0.34 1.14 -0.28 0.00 0.02 0.00 0.00 55.97 57.19 1si6 s LYS 221 Cb -0.11 -1.90 -0.14 0.00 -0.52 0.00 0.00 37.83 35.16 1si6 s LYS 221 CO 0.28 -1.63 0.89 -2.30 -0.92 0.00 0.00 175.35 171.67 1si6 n PRO 222 N -3.51 1.05 -0.18 -1.68 -0.02 -1.26 -4.89 135.00 124.51 1si6 n PRO 222 Ca 0.09 0.37 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1si6 n PRO 222 Cb 0.53 -1.66 0.27 0.00 -0.02 0.00 0.00 33.50 32.62 1si6 n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1si6 n THR 223 N 0.11 0.46 -3.55 3.45 -2.24 -0.77 -4.86 114.28 106.89 1si6 n THR 223 Ca 0.11 -0.57 -0.15 0.00 -2.27 0.00 0.00 64.05 61.18 1si6 n THR 223 Cb 0.31 0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 1si6 n THR 223 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1si6 s TYR 224 N -1.54 -0.50 -0.16 4.78 5.04 -0.99 -1.32 117.35 122.66 1si6 s TYR 224 Ca 0.34 0.66 -0.05 0.00 -2.44 0.00 0.00 57.07 55.58 1si6 s TYR 224 Cb 0.18 0.37 -0.03 0.00 0.35 0.00 0.00 41.96 42.83 1si6 s TYR 224 CO 0.26 -0.64 0.01 0.21 -1.34 0.00 0.00 175.55 174.05 1si6 s LYS 225 N -2.10 3.71 0.15 4.97 2.20 -1.26 -0.93 119.74 126.48 1si6 s LYS 225 Ca -0.07 -0.43 0.05 0.00 -0.36 0.00 0.00 55.97 55.16 1si6 s LYS 225 Cb -0.01 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1si6 s LYS 225 CO 0.01 0.32 0.12 -0.06 -0.36 0.00 0.00 175.35 175.38 1si6 s PHE 226 N 0.20 3.15 -0.14 4.03 0.40 -0.60 -0.02 117.98 125.00 1si6 s PHE 226 Ca 0.01 -0.00 -0.29 0.00 -0.60 0.00 0.00 56.93 56.04 1si6 s PHE 226 Cb -0.13 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 1si6 s PHE 226 CO 0.02 0.52 1.24 0.15 0.70 0.00 0.00 175.22 177.85 1si6 s LYS 227 N -2.95 4.26 0.31 0.44 1.02 0.05 -4.31 119.74 118.56 1si6 s LYS 227 Ca 0.30 1.66 -0.27 0.00 0.02 0.00 0.00 55.97 57.68 1si6 s LYS 227 Cb -0.10 -3.71 -0.14 0.00 -0.52 0.00 0.00 37.83 33.36 1si6 s LYS 227 CO 0.23 -0.64 0.94 -2.30 -0.92 0.00 0.00 175.35 172.67 1si6 n PRO 228 N 6.23 1.20 -0.45 -1.68 -0.02 -1.26 -2.02 135.00 137.00 1si6 n PRO 228 Ca 0.13 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1si6 n PRO 228 Cb 0.45 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1si6 n PRO 228 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1si6 n ASN 229 N 1.21 0.00 -4.78 2.55 4.13 0.14 -4.97 115.26 113.54 1si6 n ASN 229 Ca 0.10 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.07 1si6 n ASN 229 Cb 0.33 -0.59 -0.06 0.00 -1.54 0.00 0.00 39.78 37.91 1si6 n ASN 229 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1si6 s THR 230 N -2.78 1.54 -0.20 3.41 -4.23 -0.86 -4.99 115.64 107.53 1si6 s THR 230 Ca 0.00 -1.83 0.16 0.00 -1.18 0.00 0.00 61.69 58.84 1si6 s THR 230 Cb 0.00 -2.36 0.55 0.00 1.34 0.00 0.00 72.50 72.03 1si6 s THR 230 CO 0.00 0.00 1.46 0.47 -0.54 0.00 0.00 174.62 176.01 1si6 n ASP 231 N -1.36 3.89 -4.69 3.99 8.00 -1.26 -4.76 116.55 120.37 1si6 n ASP 231 Ca -0.11 -3.09 -0.38 0.00 0.71 0.00 0.00 54.79 51.92 1si6 n ASP 231 Cb 0.66 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 41.12 1si6 n ASP 231 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1si6 s GLU 232 N -2.88 4.21 0.18 -1.24 2.02 -1.26 -4.99 118.70 114.74 1si6 s GLU 232 Ca 0.44 0.20 -0.31 0.00 0.02 0.00 0.00 54.97 55.32 1si6 s GLU 232 Cb 0.36 -3.50 -0.09 0.00 0.10 0.00 0.00 34.13 31.00 1si6 s GLU 232 CO 0.09 0.05 1.42 0.71 0.02 0.00 0.00 175.26 177.54 1si6 s TYR 233 N 1.03 3.16 -0.66 1.61 1.51 -1.26 -0.77 117.35 121.95 1si6 s TYR 233 Ca 0.19 0.97 -0.26 0.00 -1.01 0.00 0.00 57.07 56.96 1si6 s TYR 233 Cb -0.14 -3.75 0.04 0.00 -0.11 0.00 0.00 41.96 38.00 1si6 s TYR 233 CO 0.07 -2.54 1.16 0.34 -1.11 0.00 0.00 175.55 173.48 1si6 s ASP 234 N 0.74 6.25 -0.05 2.29 -1.08 0.98 -4.77 116.67 121.04 1si6 s ASP 234 Ca 0.62 -0.40 0.05 0.00 -0.52 0.00 0.00 52.55 52.31 1si6 s ASP 234 Cb -0.39 -2.52 0.23 0.00 -1.46 0.00 0.00 42.92 38.78 1si6 s ASP 234 CO 0.36 -1.61 0.98 0.18 0.52 0.00 0.00 175.17 175.60 1si6 n LEU 235 N 8.61 1.97 0.17 -1.34 4.77 -1.26 -2.67 117.00 127.26 1si6 n LEU 235 Ca 0.03 -0.99 0.13 0.00 -0.03 0.00 0.00 56.01 55.15 1si6 n LEU 235 Cb 0.48 -0.41 0.59 0.00 -2.33 0.00 0.00 43.42 41.76 1si6 n LEU 235 CO 0.69 0.34 0.89 0.77 -1.33 0.00 0.00 177.39 178.75 1si6 h SER 236 N 1.24 0.00 -4.33 -1.43 4.64 -1.94 -3.42 113.55 108.32 1si6 h SER 236 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1si6 h SER 236 Cb 0.71 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.56 1si6 h SER 236 CO 0.09 0.00 -0.80 0.00 -0.87 0.00 0.00 176.83 175.25 1si6 s ALA 237 N -3.48 1.40 0.11 5.18 0.00 -1.09 -5.11 121.76 118.76 1si6 s ALA 237 Ca 0.01 -0.99 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 1si6 s ALA 237 Cb 0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 1si6 s ALA 237 CO 0.36 0.27 1.65 0.99 0.00 0.00 0.00 175.76 179.02 1si6 s THR 238 N -1.00 2.83 0.21 0.00 2.01 -1.26 -4.69 115.64 113.74 1si6 s THR 238 Ca 0.03 0.41 -0.32 0.00 0.31 0.00 0.00 61.69 62.12 1si6 s THR 238 Cb -0.09 -3.27 -0.14 0.00 0.01 0.00 0.00 72.50 69.01 1si6 s THR 238 CO 0.02 0.01 1.32 -2.65 -0.69 0.00 0.00 174.62 172.63 1si6 n PRO 239 N 5.08 1.71 -4.00 4.92 -0.02 -1.26 -4.66 135.00 136.77 1si6 n PRO 239 Ca 0.15 0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 1si6 n PRO 239 Cb 0.39 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 1si6 n PRO 239 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1si6 s SER 240 N 0.19 0.15 -0.52 2.55 0.01 -0.10 -4.56 113.70 111.42 1si6 s SER 240 Ca 0.70 -0.93 -0.18 0.00 1.31 0.00 0.00 55.95 56.85 1si6 s SER 240 Cb -0.73 0.37 0.07 0.00 0.21 0.00 0.00 66.02 65.95 1si6 s SER 240 CO 0.50 -0.81 0.59 0.26 0.41 0.00 0.00 173.24 174.20 1si6 s TRP 241 N -3.97 3.09 -0.12 2.43 0.51 -1.26 -1.84 118.94 117.78 1si6 s TRP 241 Ca 0.16 -0.71 -0.09 0.00 -2.12 0.00 0.00 56.10 53.34 1si6 s TRP 241 Cb 0.05 -3.55 -0.03 0.00 -0.81 0.00 0.00 33.47 29.13 1si6 s TRP 241 CO -0.02 -1.03 -0.17 0.25 -0.51 0.00 0.00 176.95 175.47 1si6 n THR 242 N 5.51 1.13 -2.49 2.01 -2.24 -1.26 -4.70 114.28 112.24 1si6 n THR 242 Ca -0.08 0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 1si6 n THR 242 Cb 0.44 -2.20 -0.03 0.00 -2.10 0.00 0.00 70.33 66.44 1si6 n THR 242 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1si6 s ASP 243 N -5.31 7.13 0.07 3.42 1.01 -1.26 -3.37 116.67 118.37 1si6 s ASP 243 Ca -0.14 1.90 0.02 0.00 0.71 0.00 0.00 52.55 55.04 1si6 s ASP 243 Cb 0.02 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1si6 s ASP 243 CO 0.20 -0.45 -0.08 -0.13 0.21 0.00 0.00 175.17 174.92 1si6 s ARG 244 N 1.30 0.71 -0.12 8.23 1.81 -0.14 -4.87 118.95 125.87 1si6 s ARG 244 Ca 0.57 -1.05 0.02 0.00 -1.72 0.00 0.00 55.73 53.54 1si6 s ARG 244 Cb -0.27 -0.33 0.01 0.00 -0.45 0.00 0.00 34.95 33.92 1si6 s ARG 244 CO 0.27 0.04 -0.17 0.00 -0.68 0.00 0.00 175.30 174.76 1si6 s ALA 245 N -2.38 1.91 0.11 2.13 0.00 -1.26 -2.14 121.76 120.11 1si6 s ALA 245 Ca 0.01 -0.88 0.10 0.00 0.00 0.00 0.00 51.96 51.19 1si6 s ALA 245 Cb -0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1si6 s ALA 245 CO -0.01 -0.09 -0.22 -0.51 0.00 0.00 0.00 175.76 174.92 1si6 s LEU 246 N 0.98 2.49 0.05 0.00 1.43 0.03 -4.22 118.68 119.44 1si6 s LEU 246 Ca -0.05 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1si6 s LEU 246 Cb -0.15 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1si6 s LEU 246 CO -0.03 0.20 -0.05 -0.72 0.23 0.00 0.00 176.35 175.98 1si6 s TYR 247 N -1.05 0.55 0.14 0.29 -0.85 0.14 -1.34 117.35 115.22 1si6 s TYR 247 Ca 0.15 -0.71 -0.25 0.00 -0.52 0.00 0.00 57.07 55.75 1si6 s TYR 247 Cb -0.10 -0.35 0.07 0.00 0.38 0.00 0.00 41.96 41.95 1si6 s TYR 247 CO 0.07 -0.19 0.79 -1.59 -1.52 0.00 0.00 175.55 173.11 1si6 s LYS 248 N -2.46 1.23 -0.06 -3.49 -2.85 -0.60 -1.60 119.74 109.91 1si6 s LYS 248 Ca -0.04 -0.57 0.05 0.00 -1.00 0.00 0.00 55.97 54.41 1si6 s LYS 248 Cb -0.03 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1si6 s LYS 248 CO -0.03 -0.55 -0.22 0.45 0.10 0.00 0.00 175.35 175.09 1si6 s SER 249 N -2.76 2.76 0.19 0.03 0.15 -1.26 -0.45 113.70 112.36 1si6 s SER 249 Ca 0.07 -0.46 0.26 0.00 0.70 0.00 0.00 55.95 56.51 1si6 s SER 249 Cb -0.02 -0.84 0.89 0.00 -1.71 0.00 0.00 66.02 64.34 1si6 s SER 249 CO -0.04 0.20 1.77 0.61 1.20 0.00 0.00 173.24 176.98 1si6 n GLY 250 N 3.11 -1.58 0.17 9.45 0.00 -0.77 -4.37 105.19 111.20 1si6 n GLY 250 Ca -0.18 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 45.88 1si6 n GLY 250 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1si6 n THR 251 N -2.15 1.13 -0.92 2.61 -2.24 -1.26 -4.85 114.28 106.60 1si6 n THR 251 Ca 0.05 -1.33 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 1si6 n THR 251 Cb 0.37 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1si6 n THR 251 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1si6 n GLY 252 N -0.82 0.47 3.78 3.38 0.00 -1.26 -5.02 105.19 105.71 1si6 n GLY 252 Ca 0.08 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 1si6 n GLY 252 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1si6 s LYS 253 N -1.14 4.28 -0.04 1.61 -0.14 -1.26 -5.02 119.74 118.03 1si6 s LYS 253 Ca 0.00 1.55 -0.28 0.00 -1.36 0.00 0.00 55.97 55.87 1si6 s LYS 253 Cb 0.00 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 1si6 s LYS 253 CO 0.00 -0.04 0.93 0.99 -0.76 0.00 0.00 175.35 176.47 1si6 s THR 254 N -1.56 4.88 -0.17 2.17 2.01 -1.26 -4.69 115.64 117.02 1si6 s THR 254 Ca 0.55 1.92 0.00 0.00 0.31 0.00 0.00 61.69 64.48 1si6 s THR 254 Cb -0.24 -4.26 0.04 0.00 0.01 0.00 0.00 72.50 68.05 1si6 s THR 254 CO 0.30 0.14 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.63 1si6 s ILE 255 N 1.25 1.51 -0.32 1.82 1.01 -1.26 -1.31 121.20 123.90 1si6 s ILE 255 Ca 0.48 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 1si6 s ILE 255 Cb -0.20 -1.55 0.05 0.00 0.01 0.00 0.00 42.46 40.78 1si6 s ILE 255 CO 0.23 0.26 0.04 -1.58 0.00 0.00 0.00 174.94 173.89 1si6 s GLN 256 N 1.47 2.44 0.25 2.79 2.00 0.07 -4.98 119.66 123.71 1si6 s GLN 256 Ca 0.01 -1.29 -0.31 0.00 -2.00 0.00 0.00 55.36 51.77 1si6 s GLN 256 Cb -0.15 -3.28 -0.11 0.00 0.80 0.00 0.00 33.01 30.26 1si6 s GLN 256 CO -0.09 -0.67 1.64 -2.14 -0.50 0.00 0.00 175.29 173.53 1si6 s PRO 257 N 1.28 4.13 -0.16 1.67 0.02 -1.26 -1.15 135.00 139.53 1si6 s PRO 257 Ca -0.03 2.57 -0.02 0.00 0.02 0.00 0.00 61.00 63.53 1si6 s PRO 257 Cb -0.20 -3.05 -0.23 0.00 0.02 0.00 0.00 34.50 31.03 1si6 s PRO 257 CO -0.00 -0.67 0.20 1.28 -0.33 0.00 0.00 177.00 177.48 1si6 n LEU 258 N 3.01 2.56 -3.49 -5.54 4.77 0.13 -4.91 117.00 113.53 1si6 n LEU 258 Ca 0.11 0.11 -0.16 0.00 -0.03 0.00 0.00 56.01 56.05 1si6 n LEU 258 Cb 0.37 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 40.47 1si6 n LEU 258 CO 0.63 0.84 0.44 -0.94 -1.33 0.00 0.00 177.39 177.03 1si6 s SER 259 N -6.79 -0.63 -0.22 -1.43 1.04 -1.14 -5.00 113.70 99.52 1si6 s SER 259 Ca -0.25 0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.64 1si6 s SER 259 Cb 0.07 0.55 0.11 0.00 0.10 0.00 0.00 66.02 66.86 1si6 s SER 259 CO 0.73 -0.71 0.40 -0.47 0.98 0.00 0.00 173.24 174.17 1si6 s TYR 260 N -1.95 -0.83 -0.14 5.02 5.04 -1.26 -1.51 117.35 121.72 1si6 s TYR 260 Ca -0.07 1.18 -0.13 0.00 -2.44 0.00 0.00 57.07 55.60 1si6 s TYR 260 Cb -0.00 0.16 0.04 0.00 0.35 0.00 0.00 41.96 42.51 1si6 s TYR 260 CO 0.03 -0.61 0.38 -0.80 -1.34 0.00 0.00 175.55 173.21 1si6 s ASN 261 N 2.58 -0.40 0.61 4.32 0.01 -0.57 -4.74 114.94 116.76 1si6 s ASN 261 Ca 0.06 0.77 -0.15 0.00 -0.71 0.00 0.00 52.86 52.83 1si6 s ASN 261 Cb -0.14 0.78 -0.03 0.00 0.41 0.00 0.00 41.25 42.27 1si6 s ASN 261 CO -0.14 -0.13 1.07 -0.94 -1.51 0.00 0.00 177.10 175.44 1si6 s SER 262 N 0.25 5.61 -0.71 -1.22 1.04 -1.26 -1.08 113.70 116.32 1si6 s SER 262 Ca -0.00 1.85 -0.04 0.00 0.48 0.00 0.00 55.95 58.24 1si6 s SER 262 Cb -0.03 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.74 1si6 s SER 262 CO -0.00 -1.29 0.56 -0.76 0.98 0.00 0.00 173.24 172.73 1si6 s LEU 263 N -4.63 5.47 0.46 2.42 1.43 0.57 -4.89 118.68 119.50 1si6 s LEU 263 Ca 0.64 -3.05 0.25 0.00 -1.03 0.00 0.00 54.13 50.94 1si6 s LEU 263 Cb -0.17 -1.91 1.05 0.00 0.03 0.00 0.00 46.19 45.19 1si6 s LEU 263 CO 0.39 -0.35 1.88 0.71 0.23 0.00 0.00 176.35 179.21 1si6 h THR 264 N 4.93 0.54 0.00 5.49 1.35 -1.95 -2.18 112.91 121.08 1si6 h THR 264 Ca 0.04 -0.99 -0.01 0.00 -0.55 0.00 0.00 66.41 64.90 1si6 h THR 264 Cb 0.93 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1si6 h THR 264 CO 0.75 0.19 -0.06 0.78 -0.25 0.00 0.00 175.52 176.93 1si6 h ASN 265 N 0.00 0.00 -2.27 5.36 2.35 -1.99 -3.32 115.58 115.71 1si6 h ASN 265 Ca -0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.10 1si6 h ASN 265 Cb 0.66 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.88 1si6 h ASN 265 CO 0.03 0.06 0.86 -0.31 -1.65 0.00 0.00 177.43 176.42 1si6 s TYR 266 N -4.40 2.81 -0.47 1.19 1.51 -0.82 -4.85 117.35 112.32 1si6 s TYR 266 Ca -0.04 -0.92 0.09 0.00 -1.01 0.00 0.00 57.07 55.19 1si6 s TYR 266 Cb 0.14 -4.38 0.24 0.00 -0.11 0.00 0.00 41.96 37.85 1si6 s TYR 266 CO 0.56 -1.66 1.19 1.63 -1.11 0.00 0.00 175.55 176.17 1si6 n LYS 267 N 7.52 2.78 0.00 -0.62 5.02 -1.25 -4.63 118.16 126.98 1si6 n LYS 267 Ca 0.15 -2.04 0.10 0.00 -2.02 0.00 0.00 58.31 54.50 1si6 n LYS 267 Cb 0.48 -1.29 0.53 0.00 -0.02 0.00 0.00 35.03 34.74 1si6 n LYS 267 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1si6 n GLN 268 N -0.11 0.29 -3.06 1.97 3.00 -1.26 -0.68 117.38 117.52 1si6 n GLN 268 Ca 0.10 0.09 -0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1si6 n GLN 268 Cb 0.46 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.16 1si6 n GLN 268 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1si6 n THR 269 N -1.30 0.00 0.20 5.09 5.66 -1.26 -4.43 114.28 118.24 1si6 n THR 269 Ca 0.10 -1.17 0.04 0.00 -3.05 0.00 0.00 64.05 59.97 1si6 n THR 269 Cb 0.17 0.61 0.40 0.00 -1.55 0.00 0.00 70.33 69.97 1si6 n THR 269 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1si6 h GLU 270 N 0.00 0.00 -6.45 1.09 5.08 -1.87 -3.42 114.58 109.01 1si6 h GLU 270 Ca -0.13 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.60 1si6 h GLU 270 Cb 0.62 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.73 1si6 h GLU 270 CO 0.18 0.34 -0.71 -1.01 -1.00 0.00 0.00 179.01 176.82 1si6 s HIS 271 N -4.14 2.75 -0.08 4.33 3.76 -1.26 -1.56 115.29 119.10 1si6 s HIS 271 Ca -0.02 -0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 54.70 1si6 s HIS 271 Cb 0.14 -1.37 -0.03 0.00 1.11 0.00 0.00 32.58 32.42 1si6 s HIS 271 CO 0.71 0.48 0.01 1.03 -0.85 0.00 0.00 174.74 176.12 1si6 s ARG 272 N -2.63 2.99 0.71 1.40 1.81 -0.44 -4.90 118.95 117.90 1si6 s ARG 272 Ca 0.24 -0.41 -0.15 0.00 -1.72 0.00 0.00 55.73 53.69 1si6 s ARG 272 Cb -0.10 -2.81 0.03 0.00 -0.45 0.00 0.00 34.95 31.62 1si6 s ARG 272 CO 0.16 0.70 1.19 -1.25 -0.68 0.00 0.00 175.30 175.41 1si6 s PRO 273 N -1.00 2.33 -0.10 3.54 0.05 -1.26 -4.78 135.00 133.77 1si6 s PRO 273 Ca 0.14 1.69 0.02 0.00 0.05 0.00 0.00 61.00 62.91 1si6 s PRO 273 Cb -0.11 -1.86 0.01 0.00 0.05 0.00 0.00 34.50 32.58 1si6 s PRO 273 CO 0.04 -1.67 -0.17 0.08 0.05 0.00 0.00 177.00 175.32 1si6 s VAL 274 N -2.03 1.62 -0.18 -0.36 1.01 -0.54 -0.32 120.40 119.61 1si6 s VAL 274 Ca 0.73 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1si6 s VAL 274 Cb -0.27 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1si6 s VAL 274 CO 0.44 0.46 -0.10 -0.22 0.00 0.00 0.00 175.10 175.68 1si6 s LEU 275 N 0.77 2.74 0.05 3.92 2.96 -0.25 -1.93 118.68 126.94 1si6 s LEU 275 Ca -0.11 -0.39 0.09 0.00 -0.22 0.00 0.00 54.13 53.51 1si6 s LEU 275 Cb -0.16 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1si6 s LEU 275 CO 0.02 0.07 -0.26 0.00 -1.32 0.00 0.00 176.35 174.85 1si6 s ALA 276 N 0.95 2.23 -0.06 5.97 0.00 -0.27 -1.51 121.76 129.06 1si6 s ALA 276 Ca -0.02 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.71 1si6 s ALA 276 Cb -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1si6 s ALA 276 CO -0.01 0.53 -0.15 0.15 0.00 0.00 0.00 175.76 176.28 1si6 s LYS 277 N -1.25 1.90 0.11 0.00 1.02 -0.57 -1.06 119.74 119.89 1si6 s LYS 277 Ca 0.12 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 55.64 1si6 s LYS 277 Cb -0.10 -1.55 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1si6 s LYS 277 CO 0.02 0.09 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.35 1si6 s PHE 278 N 0.48 1.32 -0.17 3.18 0.40 0.41 0.22 117.98 123.82 1si6 s PHE 278 Ca -0.13 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1si6 s PHE 278 Cb -0.15 -0.71 0.02 0.00 0.51 0.00 0.00 43.02 42.69 1si6 s PHE 278 CO 0.04 0.11 -0.20 0.50 0.70 0.00 0.00 175.22 176.36 1si6 s ARG 279 N -2.46 2.99 -0.03 0.44 3.52 -0.30 -1.17 118.95 121.93 1si6 s ARG 279 Ca 0.06 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1si6 s ARG 279 Cb -0.06 -2.53 -0.04 0.00 -1.56 0.00 0.00 34.95 30.77 1si6 s ARG 279 CO 0.02 -0.16 0.01 0.14 -0.81 0.00 0.00 175.30 174.51 1si6 s VAL 280 N 1.17 4.30 -0.27 7.11 -7.23 -0.35 -0.75 120.40 124.38 1si6 s VAL 280 Ca 0.02 -0.46 -0.06 0.00 -1.81 0.00 0.00 61.98 59.68 1si6 s VAL 280 Cb -0.14 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1si6 s VAL 280 CO -0.10 0.45 0.04 -0.89 -0.31 0.00 0.00 175.10 174.28 1si6 s THR 281 N -1.04 3.77 -2.00 5.32 2.01 -0.42 -1.66 115.64 121.62 1si6 s THR 281 Ca 0.18 -0.60 0.27 0.00 0.31 0.00 0.00 61.69 61.84 1si6 s THR 281 Cb -0.12 -2.87 0.76 0.00 0.01 0.00 0.00 72.50 70.29 1si6 s THR 281 CO 0.08 0.21 1.94 0.18 -0.69 0.00 0.00 174.62 176.34