#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3il6 n ASN 7 N 0.00 0.37 -4.51 4.39 0.23 -1.20 -4.73 115.26 109.81 3il6 n ASN 7 Ca 0.00 -1.99 -0.40 0.00 -0.53 0.00 0.00 54.58 51.66 3il6 n ASN 7 Cb 0.00 -0.19 -0.11 0.00 -2.08 0.00 0.00 39.78 37.40 3il6 n ASN 7 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 3il6 s TYR 8 N -0.41 3.22 0.54 -2.53 2.02 -1.11 -3.28 117.35 115.80 3il6 s TYR 8 Ca 0.04 -0.31 -0.22 0.00 -0.37 0.00 0.00 57.07 56.22 3il6 s TYR 8 Cb 0.04 -2.45 -0.05 0.00 -0.40 0.00 0.00 41.96 39.09 3il6 s TYR 8 CO 0.00 -0.39 1.31 0.00 -1.57 0.00 0.00 175.55 174.90 3il6 n ALA 9 N 5.08 1.41 -3.51 3.71 0.00 -1.26 0.15 120.51 126.09 3il6 n ALA 9 Ca -0.13 0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 3il6 n ALA 9 Cb 0.49 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.53 3il6 n ALA 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3il6 s ARG 10 N -2.79 0.51 -0.53 0.00 3.52 -0.78 -4.19 118.95 114.70 3il6 s ARG 10 Ca 0.71 0.76 -0.26 0.00 -0.13 0.00 0.00 55.73 56.80 3il6 s ARG 10 Cb -0.43 0.16 0.03 0.00 -1.56 0.00 0.00 34.95 33.15 3il6 s ARG 10 CO 0.50 -0.11 1.02 0.42 -0.81 0.00 0.00 175.30 176.33 3il6 s ILE 11 N 0.77 4.29 -0.15 4.11 1.01 -1.26 -1.85 121.20 128.12 3il6 s ILE 11 Ca -0.04 0.66 -0.07 0.00 0.00 0.00 0.00 60.65 61.20 3il6 s ILE 11 Cb -0.05 -4.57 -0.24 0.00 0.01 0.00 0.00 42.46 37.61 3il6 s ILE 11 CO -0.06 -1.09 0.28 -1.20 0.00 0.00 0.00 174.94 172.87 3il6 n SER 12 N 7.69 2.09 -4.20 3.58 7.64 -0.15 -4.95 113.62 125.31 3il6 n SER 12 Ca 0.06 0.20 -0.15 0.00 1.01 0.00 0.00 58.87 59.98 3il6 n SER 12 Cb 0.48 -0.83 -0.11 0.00 -1.01 0.00 0.00 64.21 62.75 3il6 n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3il6 s THR 14 N -2.36 1.35 -0.21 0.00 -4.23 -1.26 -1.07 115.64 107.87 3il6 s THR 14 Ca 0.07 -2.11 -0.29 0.00 -1.18 0.00 0.00 61.69 58.17 3il6 s THR 14 Cb -0.03 -2.00 0.15 0.00 1.34 0.00 0.00 72.50 71.95 3il6 s THR 14 CO 0.01 -0.62 1.12 -0.55 -0.54 0.00 0.00 174.62 174.03 3il6 s SER 15 N -3.25 -0.27 0.08 3.99 0.15 -0.84 -4.92 113.70 108.65 3il6 s SER 15 Ca 0.21 0.31 0.01 0.00 0.70 0.00 0.00 55.95 57.17 3il6 s SER 15 Cb 0.02 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 3il6 s SER 15 CO 0.04 -0.23 -0.05 0.00 1.20 0.00 0.00 173.24 174.20 3il6 s ARG 16 N -0.98 0.73 -0.23 5.44 1.70 -1.26 -0.89 118.95 123.46 3il6 s ARG 16 Ca 0.02 -1.28 -0.09 0.00 -0.47 0.00 0.00 55.73 53.91 3il6 s ARG 16 Cb -0.01 -0.02 0.10 0.00 -0.57 0.00 0.00 34.95 34.44 3il6 s ARG 16 CO -0.02 -0.06 0.50 -0.47 -1.08 0.00 0.00 175.30 174.17 3il6 s TYR 17 N -3.72 -0.94 0.17 5.89 6.14 0.27 -4.87 117.35 120.29 3il6 s TYR 17 Ca 0.09 1.76 0.10 0.00 0.64 0.00 0.00 57.07 59.66 3il6 s TYR 17 Cb 0.06 0.46 -0.04 0.00 0.42 0.00 0.00 41.96 42.86 3il6 s TYR 17 CO -0.07 -0.51 -0.21 0.14 0.64 0.00 0.00 175.55 175.54 3il6 s VAL 18 N 2.41 2.04 0.59 3.14 -7.23 -1.26 -0.26 120.40 119.83 3il6 s VAL 18 Ca -0.05 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 57.99 3il6 s VAL 18 Cb -0.11 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 3il6 s VAL 18 CO -0.15 -0.20 1.19 -2.65 -0.31 0.00 0.00 175.10 172.98 3il6 n PRO 19 N 0.36 1.24 0.11 4.82 -0.02 -1.26 -4.91 135.00 135.34 3il6 n PRO 19 Ca -0.13 0.47 -0.02 0.00 -2.02 0.00 0.00 63.50 61.80 3il6 n PRO 19 Cb 0.56 -2.40 0.22 0.00 -0.02 0.00 0.00 33.50 31.87 3il6 n PRO 19 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3il6 h GLU 20 N 0.85 0.18 -6.13 -0.52 4.81 -1.99 -3.43 114.58 108.36 3il6 h GLU 20 Ca -0.50 -0.09 -0.57 0.00 -0.13 0.00 0.00 59.36 58.07 3il6 h GLU 20 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3il6 h GLU 20 CO 0.54 0.60 1.38 1.21 -0.73 0.00 0.00 179.01 182.01 3il6 s ASN 21 N -6.88 5.81 -0.26 1.04 2.47 -1.26 -4.96 114.94 110.90 3il6 s ASN 21 Ca -0.04 2.03 -0.10 0.00 0.42 0.00 0.00 52.86 55.18 3il6 s ASN 21 Cb 0.13 -2.52 -0.04 0.00 -1.45 0.00 0.00 41.25 37.37 3il6 s ASN 21 CO 0.77 -1.65 0.14 0.00 -3.72 0.00 0.00 177.10 172.64 3il6 s VAL 23 N 1.54 3.68 0.67 0.00 1.01 0.17 -4.95 120.40 122.53 3il6 s VAL 23 Ca 0.07 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 3il6 s VAL 23 Cb -0.15 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.09 3il6 s VAL 23 CO 0.07 -0.25 1.05 0.42 0.00 0.00 0.00 175.10 176.39 3il6 s THR 24 N 1.36 3.67 0.44 3.92 -4.23 -1.26 -1.63 115.64 117.92 3il6 s THR 24 Ca -0.01 0.43 0.23 0.00 -1.18 0.00 0.00 61.69 61.16 3il6 s THR 24 Cb -0.20 -3.52 0.26 0.00 1.34 0.00 0.00 72.50 70.37 3il6 s THR 24 CO 0.02 -0.66 2.06 0.78 -0.54 0.00 0.00 174.62 176.27 3il6 h ASN 25 N -0.51 0.00 -0.65 3.99 2.35 -1.80 -2.40 115.58 116.55 3il6 h ASN 25 Ca -0.45 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.24 3il6 h ASN 25 Cb 1.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.59 3il6 h ASN 25 CO 0.63 0.14 0.17 -0.74 -1.65 0.00 0.00 177.43 175.98 3il6 h HIS 26 N 0.00 1.10 -0.10 1.19 2.76 -1.92 -0.02 115.15 118.15 3il6 h HIS 26 Ca -0.00 -0.12 -0.16 0.00 -2.20 0.00 0.00 60.37 57.89 3il6 h HIS 26 Cb 0.31 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 3il6 h HIS 26 CO 0.00 0.89 -0.63 1.96 -1.30 0.00 0.00 177.93 178.85 3il6 h GLN 27 N 1.00 0.38 0.00 5.26 4.20 -1.82 -3.02 115.11 121.12 3il6 h GLN 27 Ca 0.21 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 3il6 h GLN 27 Cb 0.34 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3il6 h GLN 27 CO -0.00 0.89 -0.53 -0.07 -0.67 0.00 0.00 178.83 178.45 3il6 h LEU 28 N 0.28 0.00 -0.82 1.46 3.38 -1.24 -1.74 115.31 116.63 3il6 h LEU 28 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3il6 h LEU 28 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3il6 h LEU 28 CO 0.11 0.53 -0.55 0.77 0.09 0.00 0.00 178.44 179.39 3il6 h SER 29 N 0.00 0.00 0.04 -0.43 4.64 -0.90 -1.03 113.55 115.87 3il6 h SER 29 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3il6 h SER 29 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3il6 h SER 29 CO 0.07 0.55 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.23 3il6 h GLU 30 N 0.00 -0.05 -0.45 4.77 5.08 -1.41 -3.18 114.58 119.34 3il6 h GLU 30 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3il6 h GLU 30 Cb 1.03 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.20 3il6 h GLU 30 CO 0.07 0.58 -0.30 0.52 -1.00 0.00 0.00 179.01 178.89 3il6 h MET 31 N -0.90 -0.20 0.00 2.33 2.86 -1.31 -3.41 114.93 114.30 3il6 h MET 31 Ca -0.01 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3il6 h MET 31 Cb 0.66 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3il6 h MET 31 CO 0.01 -0.13 0.00 -1.33 1.06 0.00 0.00 176.91 176.52 3il6 n MET 32 N -5.42 0.75 -2.67 1.72 2.81 -0.40 -5.03 117.12 108.89 3il6 n MET 32 Ca 0.02 -0.01 -0.26 0.00 -1.81 0.00 0.00 57.70 55.63 3il6 n MET 32 Cb 0.34 -0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.83 3il6 n MET 32 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3il6 n ASP 33 N -3.00 4.46 -4.52 7.83 2.03 -1.25 -4.70 116.55 117.41 3il6 n ASP 33 Ca 0.00 -3.66 -0.26 0.00 0.52 0.00 0.00 54.79 51.38 3il6 n ASP 33 Cb 0.00 -0.50 -0.10 0.00 -0.72 0.00 0.00 41.12 39.80 3il6 n ASP 33 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3il6 s THR 34 N -5.01 1.36 0.02 5.18 2.01 -1.20 -5.10 115.64 112.91 3il6 s THR 34 Ca 0.48 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.38 3il6 s THR 34 Cb 0.36 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 3il6 s THR 34 CO -0.16 0.00 0.33 -0.94 -0.69 0.00 0.00 174.62 173.16 3il6 s SER 35 N -3.65 6.60 0.21 3.53 1.04 -1.26 -4.47 113.70 115.70 3il6 s SER 35 Ca 0.28 0.71 -0.09 0.00 0.48 0.00 0.00 55.95 57.33 3il6 s SER 35 Cb 0.07 -2.15 0.16 0.00 0.10 0.00 0.00 66.02 64.20 3il6 s SER 35 CO 0.14 0.25 1.84 0.00 0.98 0.00 0.00 173.24 176.45 3il6 h ALA 36 N 4.13 1.00 -0.65 5.32 0.00 -1.93 -1.52 119.26 125.60 3il6 h ALA 36 Ca -0.50 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.39 3il6 h ALA 36 Cb 1.20 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 3il6 h ALA 36 CO 0.64 0.49 0.27 0.00 0.00 0.00 0.00 179.25 180.66 3il6 h ALA 37 N 1.23 0.87 -0.12 0.00 0.00 -1.93 0.67 119.26 119.98 3il6 h ALA 37 Ca 0.28 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 3il6 h ALA 37 Cb 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3il6 h ALA 37 CO -0.05 -0.15 -0.59 2.35 0.00 0.00 0.00 179.25 180.82 3il6 h TRP 38 N 0.47 0.49 -0.58 0.00 -0.00 -1.87 -1.96 115.95 112.51 3il6 h TRP 38 Ca 0.33 -0.18 -0.07 0.00 -0.00 0.00 0.00 58.89 58.97 3il6 h TRP 38 Cb 0.40 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.45 3il6 h TRP 38 CO -0.15 0.88 0.07 0.82 -0.00 0.00 0.00 178.44 180.06 3il6 h ILE 39 N 0.29 1.25 -0.14 2.65 2.04 -0.36 -2.15 117.51 121.09 3il6 h ILE 39 Ca -0.00 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 3il6 h ILE 39 Cb 1.11 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3il6 h ILE 39 CO 0.10 0.37 0.01 -0.74 0.00 0.00 0.00 178.15 177.88 3il6 h HIS 40 N 0.89 0.25 0.00 1.37 2.76 -0.68 -2.22 115.15 117.53 3il6 h HIS 40 Ca 0.18 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3il6 h HIS 40 Cb 0.43 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3il6 h HIS 40 CO 0.03 0.45 -0.30 0.66 -1.30 0.00 0.00 177.93 177.47 3il6 h SER 41 N -0.02 0.00 0.80 3.26 4.64 -1.29 0.20 113.55 121.15 3il6 h SER 41 Ca 0.04 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.12 3il6 h SER 41 Cb 0.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 3il6 h SER 41 CO 0.01 0.30 -1.24 0.03 -0.87 0.00 0.00 176.83 175.06 3il6 h ARG 42 N 0.00 0.04 0.00 4.77 3.08 -1.38 -3.39 114.38 117.50 3il6 h ARG 42 Ca -0.00 -0.07 -0.28 0.00 0.07 0.00 0.00 59.98 59.70 3il6 h ARG 42 Cb 0.85 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 3il6 h ARG 42 CO 0.04 0.90 -2.05 0.25 -1.07 0.00 0.00 179.97 178.05 3il6 n THR 43 N -3.30 1.04 -0.95 2.04 -2.24 -0.84 -4.98 114.28 105.05 3il6 n THR 43 Ca -0.06 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3il6 n THR 43 Cb 0.98 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3il6 n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3il6 n GLY 44 N 2.06 0.48 3.51 3.38 0.00 0.71 -4.76 105.19 110.57 3il6 n GLY 44 Ca -0.25 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 3il6 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3il6 s ILE 45 N -2.00 3.25 -0.17 -0.61 1.01 -1.25 -3.71 121.20 117.72 3il6 s ILE 45 Ca 0.00 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.01 3il6 s ILE 45 Cb 0.00 -2.31 -0.15 0.00 0.01 0.00 0.00 42.46 40.01 3il6 s ILE 45 CO 0.00 0.55 -0.07 -1.20 0.00 0.00 0.00 174.94 174.22 3il6 n SER 46 N 2.15 2.02 -3.62 3.58 7.64 -0.31 -4.28 113.62 120.80 3il6 n SER 46 Ca -0.17 -0.06 -0.10 0.00 1.01 0.00 0.00 58.87 59.55 3il6 n SER 46 Cb 0.52 0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.90 3il6 n SER 46 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3il6 s GLU 47 N -2.37 1.41 0.12 1.43 -1.05 -0.73 -2.21 118.70 115.31 3il6 s GLU 47 Ca -0.18 -0.71 -0.15 0.00 -0.15 0.00 0.00 54.97 53.78 3il6 s GLU 47 Cb 0.06 0.57 0.03 0.00 -0.44 0.00 0.00 34.13 34.35 3il6 s GLU 47 CO 0.51 -0.62 0.37 -0.98 0.95 0.00 0.00 175.26 175.49 3il6 s ARG 48 N -3.83 1.05 -0.08 -4.83 3.03 -0.65 -3.15 118.95 110.50 3il6 s ARG 48 Ca 0.06 -0.75 -0.12 0.00 2.03 0.00 0.00 55.73 56.94 3il6 s ARG 48 Cb -0.02 0.45 -0.05 0.00 -1.03 0.00 0.00 34.95 34.30 3il6 s ARG 48 CO -0.06 -0.40 0.30 1.03 -1.13 0.00 0.00 175.30 175.04 3il6 s ARG 49 N -3.82 3.90 -0.05 3.89 1.81 -1.26 0.44 118.95 123.86 3il6 s ARG 49 Ca 0.04 0.17 0.02 0.00 -1.72 0.00 0.00 55.73 54.23 3il6 s ARG 49 Cb 0.02 -3.28 0.02 0.00 -0.45 0.00 0.00 34.95 31.26 3il6 s ARG 49 CO -0.11 0.57 -0.09 0.42 -0.68 0.00 0.00 175.30 175.41 3il6 s ILE 50 N -0.56 0.86 0.41 1.52 -1.09 -0.67 0.16 121.20 121.83 3il6 s ILE 50 Ca 0.19 -0.33 -0.26 0.00 -2.23 0.00 0.00 60.65 58.02 3il6 s ILE 50 Cb -0.14 -0.81 -0.09 0.00 -1.58 0.00 0.00 42.46 39.83 3il6 s ILE 50 CO 0.08 0.29 1.37 0.68 -1.23 0.00 0.00 174.94 176.13 3il6 s VAL 51 N 0.71 2.37 -0.01 2.92 -7.23 -1.26 -4.41 120.40 113.48 3il6 s VAL 51 Ca -0.13 0.33 0.03 0.00 -1.81 0.00 0.00 61.98 60.41 3il6 s VAL 51 Cb -0.15 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.55 3il6 s VAL 51 CO 0.02 0.05 0.06 0.35 -0.31 0.00 0.00 175.10 175.27 3il6 n THR 52 N 0.11 0.00 -0.40 5.32 -2.24 -1.26 -4.84 114.28 110.97 3il6 n THR 52 Ca 0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3il6 n THR 52 Cb 0.42 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3il6 n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3il6 n GLN 53 N -1.58 0.45 -3.71 -0.78 6.02 -1.26 -5.12 117.38 111.41 3il6 n GLN 53 Ca -0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 3il6 n GLN 53 Cb 0.07 -0.04 -0.04 0.00 1.02 0.00 0.00 30.24 31.25 3il6 n GLN 53 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3il6 s GLU 54 N 0.00 3.53 0.42 -1.09 2.02 -1.26 -5.11 118.70 117.22 3il6 s GLU 54 Ca 0.00 -0.29 0.07 0.00 0.02 0.00 0.00 54.97 54.76 3il6 s GLU 54 Cb 0.00 -2.86 -0.06 0.00 0.10 0.00 0.00 34.13 31.31 3il6 s GLU 54 CO 0.00 0.43 0.07 1.21 0.02 0.00 0.00 175.26 176.99 3il6 s ASN 55 N -2.95 4.09 0.29 -0.19 3.84 -1.26 -4.84 114.94 113.92 3il6 s ASN 55 Ca 0.39 -1.29 0.01 0.00 0.21 0.00 0.00 52.86 52.17 3il6 s ASN 55 Cb -0.11 -0.34 0.69 0.00 -0.55 0.00 0.00 41.25 40.94 3il6 s ASN 55 CO 0.28 -0.53 1.63 0.74 -2.79 0.00 0.00 177.10 176.43 3il6 h THR 56 N 1.60 0.26 -0.52 -5.21 2.02 -1.90 -0.02 112.91 109.14 3il6 h THR 56 Ca -0.43 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3il6 h THR 56 Cb 1.25 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3il6 h THR 56 CO 0.76 0.03 0.25 0.77 0.37 0.00 0.00 175.52 177.70 3il6 h SER 57 N 0.15 0.65 -0.44 4.18 4.64 -1.91 -1.24 113.55 119.59 3il6 h SER 57 Ca 0.54 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.74 3il6 h SER 57 Cb 1.10 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 3il6 h SER 57 CO -0.71 0.55 0.01 0.44 -0.87 0.00 0.00 176.83 176.25 3il6 h ASP 58 N 0.73 0.75 -0.12 4.97 3.32 -1.39 0.40 116.42 125.07 3il6 h ASP 58 Ca 0.18 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3il6 h ASP 58 Cb 0.07 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3il6 h ASP 58 CO -0.03 0.87 0.03 -0.07 -1.72 0.00 0.00 179.24 178.32 3il6 h LEU 59 N 0.61 0.18 -1.51 1.55 3.38 -1.21 -1.98 115.31 116.32 3il6 h LEU 59 Ca 0.12 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3il6 h LEU 59 Cb 0.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3il6 h LEU 59 CO 0.02 0.36 -0.07 0.00 0.09 0.00 0.00 178.44 178.84 3il6 h HIS 61 N 0.22 0.24 -0.82 0.00 -0.00 0.18 -1.65 115.15 113.32 3il6 h HIS 61 Ca 0.05 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 3il6 h HIS 61 Cb 0.27 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 27.57 3il6 h HIS 61 CO 0.00 0.28 0.34 1.96 -0.00 0.00 0.00 177.93 180.52 3il6 h GLN 62 N 0.13 1.21 -0.15 5.26 1.08 -0.98 0.32 115.11 121.98 3il6 h GLN 62 Ca 0.06 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 57.06 3il6 h GLN 62 Cb 0.13 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3il6 h GLN 62 CO -0.01 0.97 0.07 0.28 -0.95 0.00 0.00 178.83 179.19 3il6 h VAL 63 N 1.18 0.99 -0.40 -0.54 2.07 -1.23 0.16 116.25 118.49 3il6 h VAL 63 Ca 0.27 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 3il6 h VAL 63 Cb 0.20 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3il6 h VAL 63 CO -0.03 0.03 0.24 0.00 0.02 0.00 0.00 177.57 177.83 3il6 h ALA 64 N 1.08 0.51 -0.80 1.67 0.00 -0.99 0.21 119.26 120.94 3il6 h ALA 64 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3il6 h ALA 64 Cb 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3il6 h ALA 64 CO -0.05 0.00 0.53 -0.22 0.00 0.00 0.00 179.25 179.52 3il6 h LYS 65 N 0.52 1.05 -0.05 0.00 3.64 -0.56 -0.82 116.57 120.35 3il6 h LYS 65 Ca 0.14 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.25 3il6 h LYS 65 Cb 0.01 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3il6 h LYS 65 CO -0.03 0.69 -0.85 1.96 -2.27 0.00 0.00 179.45 178.96 3il6 h GLN 66 N 1.08 0.49 -0.47 1.90 4.20 -0.25 -2.51 115.11 119.55 3il6 h GLN 66 Ca 0.29 -0.46 -0.09 0.00 0.06 0.00 0.00 58.65 58.46 3il6 h GLN 66 Cb -0.12 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3il6 h GLN 66 CO -0.06 1.10 -0.06 -0.07 -0.67 0.00 0.00 178.83 179.06 3il6 h LEU 67 N 0.31 0.80 -0.42 1.46 3.38 -0.45 -0.84 115.31 119.54 3il6 h LEU 67 Ca -0.06 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 3il6 h LEU 67 Cb 1.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3il6 h LEU 67 CO 0.15 0.90 -0.19 -0.07 0.09 0.00 0.00 178.44 179.33 3il6 h LEU 68 N 0.75 0.89 -0.24 1.67 4.07 -1.14 -2.44 115.31 118.86 3il6 h LEU 68 Ca 0.13 -0.40 -0.14 0.00 0.08 0.00 0.00 57.88 57.56 3il6 h LEU 68 Cb 0.54 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 3il6 h LEU 68 CO 0.03 1.09 -0.39 -0.33 -1.08 0.00 0.00 178.44 177.76 3il6 h GLU 69 N 0.69 0.70 0.07 1.13 5.08 -1.28 -1.50 114.58 119.46 3il6 h GLU 69 Ca 0.10 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3il6 h GLU 69 Cb 0.74 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3il6 h GLU 69 CO 0.06 1.04 -0.09 0.87 -1.00 0.00 0.00 179.01 179.89 3il6 h LYS 70 N 0.42 -0.18 0.00 2.33 1.57 -1.15 -2.98 116.57 116.58 3il6 h LYS 70 Ca 0.02 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3il6 h LYS 70 Cb 0.98 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 3il6 h LYS 70 CO 0.09 -0.12 -0.12 0.66 -0.57 0.00 0.00 179.45 179.38 3il6 h SER 71 N -0.19 0.00 0.00 0.86 4.64 -1.51 -3.47 113.55 113.88 3il6 h SER 71 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3il6 h SER 71 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3il6 h SER 71 CO -0.04 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3il6 n GLY 72 N 0.67 0.50 3.82 -0.77 0.00 -0.60 -5.02 105.19 103.78 3il6 n GLY 72 Ca 0.02 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3il6 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3il6 s LYS 73 N -0.50 3.40 0.04 1.61 -0.14 -0.99 -5.02 119.74 118.14 3il6 s LYS 73 Ca 0.00 1.09 -0.09 0.00 -1.36 0.00 0.00 55.97 55.61 3il6 s LYS 73 Cb 0.00 -2.05 -0.05 0.00 -1.68 0.00 0.00 37.83 34.05 3il6 s LYS 73 CO 0.00 -0.73 0.35 -0.65 -0.76 0.00 0.00 175.35 173.56 3il6 s GLN 74 N -4.28 3.70 0.54 1.68 -1.52 -1.26 -4.71 119.66 113.82 3il6 s GLN 74 Ca 0.61 0.10 0.22 0.00 -1.95 0.00 0.00 55.36 54.34 3il6 s GLN 74 Cb -0.14 -3.05 1.43 0.00 -0.22 0.00 0.00 33.01 31.03 3il6 s GLN 74 CO 0.39 0.61 2.13 0.00 -0.25 0.00 0.00 175.29 178.17 3il6 h ALA 75 N 3.91 2.00 0.00 6.09 0.00 -1.86 -0.72 119.26 128.68 3il6 h ALA 75 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3il6 h ALA 75 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3il6 h ALA 75 CO 0.66 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.61 3il6 n SER 76 N -4.30 0.56 -0.25 0.00 3.41 -1.26 -2.48 113.62 109.30 3il6 n SER 76 Ca 0.00 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 3il6 n SER 76 Cb 0.22 -0.76 0.37 0.00 -0.26 0.00 0.00 64.21 63.79 3il6 n SER 76 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3il6 n GLU 77 N -2.12 0.86 -2.64 4.33 1.02 -0.28 -4.58 120.64 117.23 3il6 n GLU 77 Ca 0.02 -0.51 -0.42 0.00 -0.02 0.00 0.00 57.16 56.23 3il6 n GLU 77 Cb 0.22 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 3il6 n GLU 77 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3il6 s ILE 78 N -2.49 4.67 -0.07 -3.67 -1.09 -1.04 -4.61 121.20 112.90 3il6 s ILE 78 Ca 0.24 1.94 0.10 0.00 -2.23 0.00 0.00 60.65 60.71 3il6 s ILE 78 Cb 0.19 -4.25 -0.24 0.00 -1.58 0.00 0.00 42.46 36.59 3il6 s ILE 78 CO 0.52 0.03 0.55 0.47 -1.23 0.00 0.00 174.94 175.28 3il6 n ASP 79 N 4.82 1.00 -3.63 3.58 10.43 0.21 -2.75 116.55 130.21 3il6 n ASP 79 Ca 0.09 0.34 -0.16 0.00 2.57 0.00 0.00 54.79 57.63 3il6 n ASP 79 Cb 0.49 -0.09 -0.07 0.00 1.84 0.00 0.00 41.12 43.28 3il6 n ASP 79 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3il6 s PHE 80 N -2.58 -0.47 -0.15 1.24 -0.12 -1.12 -2.34 117.98 112.44 3il6 s PHE 80 Ca -0.08 0.84 -0.00 0.00 -0.05 0.00 0.00 56.93 57.64 3il6 s PHE 80 Cb 0.08 0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.76 3il6 s PHE 80 CO 0.81 -0.49 -0.09 0.42 -0.05 0.00 0.00 175.22 175.83 3il6 s ILE 81 N -1.07 1.28 -0.12 -4.49 1.01 -0.60 -1.70 121.20 115.50 3il6 s ILE 81 Ca -0.11 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3il6 s ILE 81 Cb -0.02 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3il6 s ILE 81 CO 0.07 0.30 -0.15 -0.76 0.00 0.00 0.00 174.94 174.40 3il6 s LEU 82 N 1.59 2.58 -0.10 2.97 1.43 -0.26 -2.34 118.68 124.54 3il6 s LEU 82 Ca 0.03 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3il6 s LEU 82 Cb -0.14 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.53 3il6 s LEU 82 CO -0.09 0.16 -0.18 -0.69 0.23 0.00 0.00 176.35 175.79 3il6 s VAL 83 N 0.35 1.64 -0.29 -1.59 1.01 -1.02 -0.91 120.40 119.59 3il6 s VAL 83 Ca -0.13 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 3il6 s VAL 83 Cb -0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3il6 s VAL 83 CO 0.06 0.47 0.34 0.00 0.00 0.00 0.00 175.10 175.97 3il6 s ALA 84 N 0.76 3.54 0.02 5.51 0.00 0.37 -0.62 121.76 131.34 3il6 s ALA 84 Ca -0.11 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.63 3il6 s ALA 84 Cb -0.16 -2.70 0.08 0.00 0.00 0.00 0.00 23.12 20.34 3il6 s ALA 84 CO 0.02 -0.74 0.71 -0.08 0.00 0.00 0.00 175.76 175.67 3il6 s THR 85 N 2.01 0.00 -0.03 0.00 -1.32 -1.12 -1.55 115.64 113.64 3il6 s THR 85 Ca 0.13 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.65 3il6 s THR 85 Cb -0.16 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.89 3il6 s THR 85 CO 0.11 0.00 0.88 1.33 -2.21 0.00 0.00 174.62 174.73 3il6 n VAL 86 N 0.25 0.54 -2.89 5.08 0.24 -1.26 -4.48 118.33 115.80 3il6 n VAL 86 Ca -0.16 -0.61 -0.14 0.00 -2.04 0.00 0.00 64.34 61.39 3il6 n VAL 86 Cb 0.61 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 3il6 n VAL 86 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3il6 n THR 87 N -0.36 0.61 -2.43 3.34 -2.24 -1.26 -4.95 114.28 106.98 3il6 n THR 87 Ca 0.03 -3.88 -0.34 0.00 -2.27 0.00 0.00 64.05 57.59 3il6 n THR 87 Cb 0.55 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 3il6 n THR 87 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3il6 s PRO 88 N -2.85 3.70 0.15 -0.78 0.04 -1.26 -4.48 135.00 129.52 3il6 s PRO 88 Ca 0.34 1.33 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 3il6 s PRO 88 Cb 0.40 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.89 3il6 s PRO 88 CO -0.03 -0.51 1.61 -0.44 0.04 0.00 0.00 177.00 177.67 3il6 h ASP 89 N 1.31 -0.94 -3.44 6.66 3.45 -1.95 -3.44 116.42 118.08 3il6 h ASP 89 Ca -0.49 0.16 -0.45 0.00 0.43 0.00 0.00 57.03 56.68 3il6 h ASP 89 Cb 1.22 0.43 -0.14 0.00 -0.56 0.00 0.00 39.33 40.28 3il6 h ASP 89 CO 0.59 -0.32 -0.62 -0.36 -1.57 0.00 0.00 179.24 176.96 3il6 s PHE 90 N -6.03 1.86 0.15 4.55 0.40 -1.26 -5.02 117.98 112.63 3il6 s PHE 90 Ca -0.15 -0.94 0.05 0.00 -0.60 0.00 0.00 56.93 55.29 3il6 s PHE 90 Cb 0.12 -1.17 -0.09 0.00 0.51 0.00 0.00 43.02 42.39 3il6 s PHE 90 CO 0.67 -0.00 1.33 -0.91 0.70 0.00 0.00 175.22 177.01 3il6 h ASN 91 N 2.22 0.11 -3.11 1.36 2.35 -2.00 -3.44 115.58 113.08 3il6 h ASN 91 Ca -0.40 -0.10 -0.19 0.00 -0.55 0.00 0.00 56.30 55.06 3il6 h ASN 91 Cb 1.24 -0.03 -0.30 0.00 0.05 0.00 0.00 38.32 39.27 3il6 h ASN 91 CO 0.68 0.99 -0.47 -0.32 -1.65 0.00 0.00 177.43 176.66 3il6 s MET 92 N -2.94 0.21 1.10 0.81 0.00 -1.26 -4.31 119.30 112.91 3il6 s MET 92 Ca -0.01 0.67 -0.16 0.00 0.00 0.00 0.00 55.69 56.19 3il6 s MET 92 Cb 0.10 -0.05 0.24 0.00 0.00 0.00 0.00 34.83 35.12 3il6 s MET 92 CO 0.82 -0.21 1.11 -1.25 0.00 0.00 0.00 175.02 175.49 3il6 s PRO 93 N 1.78 -0.41 0.58 4.11 0.04 -1.26 -5.14 135.00 134.70 3il6 s PRO 93 Ca -0.05 0.16 -0.08 0.00 0.04 0.00 0.00 61.00 61.07 3il6 s PRO 93 Cb -0.11 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 3il6 s PRO 93 CO -0.09 -3.22 0.93 -1.54 0.04 0.00 0.00 177.00 173.12 3il6 s SER 94 N -3.76 5.94 0.26 6.66 1.04 -1.26 -4.27 113.70 118.31 3il6 s SER 94 Ca 0.68 1.03 0.01 0.00 0.48 0.00 0.00 55.95 58.15 3il6 s SER 94 Cb -0.13 -2.10 0.34 0.00 0.10 0.00 0.00 66.02 64.23 3il6 s SER 94 CO 0.56 -0.91 1.68 0.58 0.98 0.00 0.00 173.24 176.13 3il6 h VAL 95 N -0.17 1.28 -0.76 5.02 2.07 -1.93 -2.57 116.25 119.19 3il6 h VAL 95 Ca -0.45 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 65.71 3il6 h VAL 95 Cb 1.22 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 3il6 h VAL 95 CO 0.62 0.44 0.50 0.00 0.02 0.00 0.00 177.57 179.15 3il6 h ALA 96 N 1.24 1.52 -0.14 1.67 0.00 -1.90 -1.25 119.26 120.39 3il6 h ALA 96 Ca 0.05 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3il6 h ALA 96 Cb 0.75 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3il6 h ALA 96 CO 0.06 0.42 -0.60 0.00 0.00 0.00 0.00 179.25 179.13 3il6 h GLN 98 N 0.34 0.48 -0.17 0.00 4.20 -0.99 -1.95 115.11 117.03 3il6 h GLN 98 Ca -0.00 -0.20 -0.16 0.00 0.06 0.00 0.00 58.65 58.35 3il6 h GLN 98 Cb 1.14 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3il6 h GLN 98 CO 0.11 0.73 -0.52 0.28 -0.67 0.00 0.00 178.83 178.75 3il6 h VAL 99 N 0.42 1.32 -1.00 -0.54 2.07 -1.17 -0.61 116.25 116.74 3il6 h VAL 99 Ca 0.06 -1.77 0.09 0.00 0.82 0.00 0.00 66.70 65.90 3il6 h VAL 99 Cb 0.73 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 3il6 h VAL 99 CO 0.06 0.55 0.64 -0.61 0.02 0.00 0.00 177.57 178.23 3il6 h GLN 100 N 0.34 1.07 0.12 1.57 -0.00 -1.02 -0.98 115.11 116.21 3il6 h GLN 100 Ca -0.02 -0.06 -0.29 0.00 -0.00 0.00 0.00 58.65 58.28 3il6 h GLN 100 Cb 1.14 -0.24 0.02 0.00 0.00 0.00 0.00 27.48 28.40 3il6 h GLN 100 CO 0.11 0.71 -1.22 0.78 0.00 0.00 0.00 178.83 179.21 3il6 h GLY 101 N 1.10 0.55 1.00 2.39 0.00 -1.29 -0.59 103.07 106.23 3il6 h GLY 101 Ca 0.46 -1.20 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3il6 h GLY 101 CO -0.21 1.06 0.30 0.00 0.00 0.00 0.00 176.54 177.68 3il6 h ALA 102 N 0.43 0.59 -0.01 3.60 0.00 -0.41 -2.80 119.26 120.65 3il6 h ALA 102 Ca -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3il6 h ALA 102 Cb 1.91 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3il6 h ALA 102 CO 0.22 0.05 -0.19 0.44 0.00 0.00 0.00 179.25 179.77 3il6 n ILE 103 N -4.75 0.00 -2.47 0.00 -5.35 -0.44 -4.97 119.36 101.39 3il6 n ILE 103 Ca 0.02 -0.18 -0.09 0.00 -0.27 0.00 0.00 62.75 62.23 3il6 n ILE 103 Cb 0.03 0.50 0.01 0.00 -1.74 0.00 0.00 39.64 38.45 3il6 n ILE 103 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3il6 n GLY 104 N 1.30 0.15 2.45 3.28 0.00 -0.97 -4.72 105.19 106.68 3il6 n GLY 104 Ca 0.14 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3il6 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3il6 n ALA 105 N -2.23 6.93 0.14 4.61 0.00 -0.27 -4.35 120.51 125.35 3il6 n ALA 105 Ca -0.06 -3.72 0.19 0.00 0.00 0.00 0.00 53.44 49.86 3il6 n ALA 105 Cb 0.56 -3.32 0.77 0.00 0.00 0.00 0.00 19.45 17.46 3il6 n ALA 105 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3il6 h THR 106 N 3.20 0.33 -0.47 0.00 1.35 -1.79 -1.40 112.91 114.13 3il6 h THR 106 Ca 0.77 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.63 3il6 h THR 106 Cb 0.38 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 3il6 h THR 106 CO 1.76 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 176.41 3il6 n GLU 107 N -3.61 2.32 -4.45 4.72 -0.58 -1.26 -4.92 120.64 112.86 3il6 n GLU 107 Ca 0.05 -2.03 -0.33 0.00 -0.42 0.00 0.00 57.16 54.43 3il6 n GLU 107 Cb 0.55 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.85 3il6 n GLU 107 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3il6 s ALA 108 N -1.38 3.10 0.22 0.62 0.00 -0.53 -4.52 121.76 119.27 3il6 s ALA 108 Ca 0.38 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3il6 s ALA 108 Cb 0.21 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 3il6 s ALA 108 CO 0.28 0.61 0.39 -0.59 0.00 0.00 0.00 175.76 176.45 3il6 s PHE 109 N -0.96 3.48 0.01 0.00 -0.12 -0.99 -4.90 117.98 114.51 3il6 s PHE 109 Ca 0.16 0.20 -0.20 0.00 -0.05 0.00 0.00 56.93 57.05 3il6 s PHE 109 Cb -0.11 -1.75 0.04 0.00 -0.63 0.00 0.00 43.02 40.57 3il6 s PHE 109 CO 0.06 0.38 0.44 0.00 -0.05 0.00 0.00 175.22 176.05 3il6 s ALA 110 N -1.94 -1.10 0.12 1.99 0.00 -1.26 -1.56 121.76 118.01 3il6 s ALA 110 Ca 0.37 0.51 -0.25 0.00 0.00 0.00 0.00 51.96 52.59 3il6 s ALA 110 Cb -0.10 0.21 0.07 0.00 0.00 0.00 0.00 23.12 23.31 3il6 s ALA 110 CO 0.30 -0.39 0.72 -0.59 0.00 0.00 0.00 175.76 175.80 3il6 s PHE 111 N -1.93 -0.42 0.16 0.00 -0.71 -0.99 -4.64 117.98 109.45 3il6 s PHE 111 Ca -0.09 0.20 0.03 0.00 -1.04 0.00 0.00 56.93 56.04 3il6 s PHE 111 Cb -0.02 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.33 3il6 s PHE 111 CO 0.02 -0.79 0.28 -0.51 -1.34 0.00 0.00 175.22 172.87 3il6 s ASP 112 N -2.70 6.26 -0.06 1.98 1.01 -1.26 -2.42 116.67 119.48 3il6 s ASP 112 Ca 0.04 0.13 0.06 0.00 0.71 0.00 0.00 52.55 53.49 3il6 s ASP 112 Cb -0.02 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 42.05 3il6 s ASP 112 CO -0.09 0.04 -0.24 -0.63 0.21 0.00 0.00 175.17 174.46 3il6 s ILE 113 N -1.77 1.99 -0.39 0.77 1.01 0.21 -4.92 121.20 118.11 3il6 s ILE 113 Ca 0.34 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 3il6 s ILE 113 Cb -0.11 -1.69 0.08 0.00 0.01 0.00 0.00 42.46 40.75 3il6 s ILE 113 CO 0.28 0.55 0.19 -0.55 0.00 0.00 0.00 174.94 175.41 3il6 s SER 114 N -0.09 5.37 -0.17 3.58 0.15 -1.26 -2.79 113.70 118.49 3il6 s SER 114 Ca -0.05 -1.60 0.17 0.00 0.70 0.00 0.00 55.95 55.16 3il6 s SER 114 Cb -0.14 -1.88 0.37 0.00 -1.71 0.00 0.00 66.02 62.65 3il6 s SER 114 CO 0.04 -0.48 1.22 0.00 1.20 0.00 0.00 173.24 175.22 3il6 n ALA 115 N 4.76 2.84 0.00 5.45 0.00 -1.26 -5.01 120.51 127.29 3il6 n ALA 115 Ca -0.08 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.55 3il6 n ALA 115 Cb 0.43 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3il6 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3il6 n ALA 116 N -0.47 0.00 0.00 0.00 0.00 -1.26 -1.93 120.51 116.85 3il6 n ALA 116 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3il6 n ALA 116 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.33 3il6 n ALA 116 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3il6 n SER 118 N 0.00 0.00 -0.31 0.00 7.64 -1.26 -4.42 113.62 115.27 3il6 n SER 118 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 3il6 n SER 118 Cb 0.00 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.50 3il6 n SER 118 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3il6 h GLY 119 N 0.00 1.36 0.95 0.23 0.00 -1.75 -0.47 103.07 103.39 3il6 h GLY 119 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 3il6 h GLY 119 CO 0.00 -0.45 -0.04 -2.75 0.00 0.00 0.00 176.54 173.30 3il6 h PHE 120 N 0.12 0.80 -0.36 5.60 3.57 -1.83 0.10 116.94 124.93 3il6 h PHE 120 Ca 0.58 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 3il6 h PHE 120 Cb 1.21 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 3il6 h PHE 120 CO -0.33 0.82 0.12 0.28 -2.23 0.00 0.00 178.31 176.97 3il6 h VAL 121 N 0.54 1.21 -0.35 1.41 2.07 -1.71 0.64 116.25 120.05 3il6 h VAL 121 Ca 0.11 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3il6 h VAL 121 Cb 0.53 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3il6 h VAL 121 CO 0.03 0.24 0.23 1.88 0.02 0.00 0.00 177.57 179.97 3il6 h TYR 122 N 0.44 0.44 -0.75 1.57 -1.99 -1.00 -1.04 116.97 114.64 3il6 h TYR 122 Ca 0.12 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 3il6 h TYR 122 Cb 0.25 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.79 3il6 h TYR 122 CO 0.01 0.28 0.34 0.00 -0.00 0.00 0.00 178.16 178.79 3il6 h ALA 123 N 1.13 1.19 -0.69 3.88 0.00 -0.54 -1.40 119.26 122.83 3il6 h ALA 123 Ca 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3il6 h ALA 123 Cb -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3il6 h ALA 123 CO -0.03 0.61 0.23 1.25 0.00 0.00 0.00 179.25 181.31 3il6 h LEU 124 N 1.07 0.99 -0.92 0.00 5.85 -0.47 -1.04 115.31 120.79 3il6 h LEU 124 Ca 0.26 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3il6 h LEU 124 Cb 0.14 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3il6 h LEU 124 CO -0.03 0.92 0.57 -1.28 -0.34 0.00 0.00 178.44 178.29 3il6 h SER 125 N 1.00 1.08 0.06 1.25 0.87 -0.63 -2.07 113.55 115.11 3il6 h SER 125 Ca 0.22 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3il6 h SER 125 Cb 0.27 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3il6 h SER 125 CO -0.01 0.82 -0.03 0.24 -0.53 0.00 0.00 176.83 177.32 3il6 h MET 126 N 1.26 -0.08 -0.77 2.24 2.86 -0.62 -2.22 114.93 117.60 3il6 h MET 126 Ca 0.33 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.03 3il6 h MET 126 Cb -0.09 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 3il6 h MET 126 CO -0.07 0.01 0.50 0.00 1.06 0.00 0.00 176.91 178.42 3il6 h ALA 127 N 0.79 1.61 -0.52 6.32 0.00 -0.96 0.25 119.26 126.76 3il6 h ALA 127 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3il6 h ALA 127 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3il6 h ALA 127 CO 0.01 0.28 0.26 1.49 0.00 0.00 0.00 179.25 181.29 3il6 h GLU 128 N 0.86 0.75 -0.62 0.00 4.22 -1.12 -0.53 114.58 118.14 3il6 h GLU 128 Ca 0.32 -0.11 -0.08 0.00 0.08 0.00 0.00 59.36 59.58 3il6 h GLU 128 Cb 0.17 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3il6 h GLU 128 CO -0.10 0.61 0.09 0.87 -2.18 0.00 0.00 179.01 178.30 3il6 h LYS 129 N 0.70 1.03 -0.75 1.92 6.56 -0.64 0.14 116.57 125.53 3il6 h LYS 129 Ca 0.18 -0.28 -0.04 0.00 -1.06 0.00 0.00 60.65 59.45 3il6 h LYS 129 Cb 0.11 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 3il6 h LYS 129 CO -0.02 0.97 0.30 -0.07 -2.06 0.00 0.00 179.45 178.57 3il6 h LEU 130 N 0.94 1.03 -0.25 2.94 3.38 -0.66 -2.34 115.31 120.35 3il6 h LEU 130 Ca 0.19 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 3il6 h LEU 130 Cb 0.44 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3il6 h LEU 130 CO 0.01 0.91 -0.90 0.58 0.09 0.00 0.00 178.44 179.14 3il6 h VAL 131 N 1.07 1.50 -0.59 1.22 2.07 -0.95 -3.20 116.25 117.36 3il6 h VAL 131 Ca 0.25 -2.66 0.01 0.00 0.82 0.00 0.00 66.70 65.13 3il6 h VAL 131 Cb 0.21 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3il6 h VAL 131 CO -0.02 0.77 0.38 -0.07 0.02 0.00 0.00 177.57 178.65 3il6 h LEU 132 N 0.11 0.64 -1.92 2.57 3.38 -0.70 -2.10 115.31 117.29 3il6 h LEU 132 Ca -0.05 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.07 3il6 h LEU 132 Cb 1.54 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 3il6 h LEU 132 CO 0.14 0.46 0.54 0.77 0.09 0.00 0.00 178.44 180.43 3il6 h SER 133 N 0.76 0.00 0.00 -0.43 4.64 -1.42 -3.45 113.55 113.65 3il6 h SER 133 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3il6 h SER 133 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3il6 h SER 133 CO -0.07 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.50 3il6 n GLY 134 N -1.55 1.46 0.08 -0.77 0.00 -0.79 -4.89 105.19 98.73 3il6 n GLY 134 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3il6 n GLY 134 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3il6 h ARG 135 N 3.09 0.06 -5.68 1.61 3.08 -1.82 -3.46 114.38 111.27 3il6 h ARG 135 Ca 0.00 -0.09 -0.53 0.00 0.07 0.00 0.00 59.98 59.43 3il6 h ARG 135 Cb 0.00 0.03 -0.27 0.00 0.08 0.00 0.00 29.97 29.81 3il6 h ARG 135 CO 0.00 0.99 -0.82 0.71 -1.07 0.00 0.00 179.97 179.77 3il6 s TYR 136 N -2.85 1.53 0.00 3.04 1.51 -1.24 -5.04 117.35 114.30 3il6 s TYR 136 Ca -0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 3il6 s TYR 136 Cb 0.10 -0.94 0.00 0.00 -0.11 0.00 0.00 41.96 41.00 3il6 s TYR 136 CO 0.82 0.03 0.00 1.04 -1.11 0.00 0.00 175.55 176.33 3il6 n GLN 137 N 2.21 1.95 -4.58 -0.62 3.00 -1.26 -4.04 117.38 114.04 3il6 n GLN 137 Ca -0.16 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.51 3il6 n GLN 137 Cb 0.54 -0.97 -0.17 0.00 0.00 0.00 0.00 30.24 29.64 3il6 n GLN 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3il6 s THR 138 N -1.95 1.94 0.20 5.09 2.01 -1.26 -1.72 115.64 119.95 3il6 s THR 138 Ca 0.00 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 3il6 s THR 138 Cb 0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 3il6 s THR 138 CO 0.00 0.53 0.24 -0.83 -0.69 0.00 0.00 174.62 173.87 3il6 s GLY 139 N 0.89 1.04 -0.12 4.40 0.00 -0.13 0.67 107.32 114.06 3il6 s GLY 139 Ca -0.06 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.33 3il6 s GLY 139 CO -0.03 -1.11 -0.19 1.08 0.00 0.00 0.00 173.10 172.85 3il6 s LEU 140 N -3.09 1.95 -0.26 0.66 1.43 -0.69 -0.57 118.68 118.11 3il6 s LEU 140 Ca 0.31 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3il6 s LEU 140 Cb 0.04 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 45.02 3il6 s LEU 140 CO 0.09 0.06 -0.10 -0.69 0.23 0.00 0.00 176.35 175.95 3il6 s VAL 141 N 0.83 2.37 -0.05 -1.59 1.01 -0.95 -1.10 120.40 120.92 3il6 s VAL 141 Ca -0.08 -1.46 0.06 0.00 0.00 0.00 0.00 61.98 60.50 3il6 s VAL 141 Cb -0.16 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3il6 s VAL 141 CO -0.01 0.04 -0.23 -0.63 0.00 0.00 0.00 175.10 174.27 3il6 s ILE 142 N 1.17 1.90 -0.21 2.22 1.01 -0.09 -1.54 121.20 125.66 3il6 s ILE 142 Ca -0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.56 3il6 s ILE 142 Cb -0.19 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 3il6 s ILE 142 CO -0.05 0.53 -0.03 -0.83 0.00 0.00 0.00 174.94 174.56 3il6 s GLY 143 N -0.20 1.65 -0.07 6.18 0.00 -0.01 -0.48 107.32 114.40 3il6 s GLY 143 Ca -0.01 -1.07 -0.13 0.00 0.00 0.00 0.00 44.72 43.51 3il6 s GLY 143 CO 0.02 0.30 0.31 -0.32 0.00 0.00 0.00 173.10 173.42 3il6 s GLY 144 N 1.20 -0.19 0.04 0.20 0.00 -0.60 -2.01 107.32 105.96 3il6 s GLY 144 Ca 0.03 0.62 -0.12 0.00 0.00 0.00 0.00 44.72 45.25 3il6 s GLY 144 CO -0.00 0.46 0.27 -0.54 0.00 0.00 0.00 173.10 173.29 3il6 s GLU 145 N -0.53 0.76 -0.44 2.90 0.41 -0.98 -4.37 118.70 116.45 3il6 s GLU 145 Ca -0.06 -0.53 0.09 0.00 -0.41 0.00 0.00 54.97 54.05 3il6 s GLU 145 Cb -0.04 0.32 0.30 0.00 -1.78 0.00 0.00 34.13 32.93 3il6 s GLU 145 CO 0.02 -0.23 0.68 0.25 -0.49 0.00 0.00 175.26 175.49 3il6 n THR 146 N 0.66 0.40 0.29 3.63 -2.24 -1.26 -2.73 114.28 113.03 3il6 n THR 146 Ca -0.19 -4.58 0.16 0.00 -2.27 0.00 0.00 64.05 57.17 3il6 n THR 146 Cb 0.59 -1.33 0.74 0.00 -2.10 0.00 0.00 70.33 68.22 3il6 n THR 146 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3il6 h PHE 147 N 3.56 0.00 0.00 4.78 0.04 -1.93 -2.89 116.94 120.50 3il6 h PHE 147 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3il6 h PHE 147 Cb 0.83 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.98 3il6 h PHE 147 CO 0.51 0.00 0.11 0.66 -0.60 0.00 0.00 178.31 178.99 3il6 h SER 148 N 0.00 0.00 0.19 2.17 4.64 -1.91 0.32 113.55 118.96 3il6 h SER 148 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3il6 h SER 148 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3il6 h SER 148 CO 0.00 0.00 -0.25 2.29 -0.87 0.00 0.00 176.83 178.00 3il6 n LYS 149 N -2.86 0.96 -0.34 4.77 2.85 -1.09 -3.87 118.16 118.58 3il6 n LYS 149 Ca -0.02 -0.59 0.07 0.00 -1.05 0.00 0.00 58.31 56.72 3il6 n LYS 149 Cb 0.17 -1.49 0.22 0.00 -0.65 0.00 0.00 35.03 33.28 3il6 n LYS 149 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3il6 n MET 150 N -0.50 3.03 -4.36 -1.58 2.81 0.11 -5.02 117.12 111.62 3il6 n MET 150 Ca 0.13 -2.47 -0.28 0.00 -1.81 0.00 0.00 57.70 53.26 3il6 n MET 150 Cb 0.36 -1.58 -0.12 0.00 -0.71 0.00 0.00 33.22 31.18 3il6 n MET 150 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3il6 s LEU 151 N -1.80 2.56 -0.59 4.03 1.43 -1.19 -0.67 118.68 122.45 3il6 s LEU 151 Ca 0.35 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 3il6 s LEU 151 Cb 0.23 -1.36 0.09 0.00 0.03 0.00 0.00 46.19 45.18 3il6 s LEU 151 CO 0.15 0.15 0.75 -0.62 0.23 0.00 0.00 176.35 177.01 3il6 s ASP 152 N -2.37 6.19 0.00 2.29 2.15 -1.26 -4.92 116.67 118.74 3il6 s ASP 152 Ca 0.19 -1.26 0.00 0.00 0.43 0.00 0.00 52.55 51.90 3il6 s ASP 152 Cb -0.09 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3il6 s ASP 152 CO 0.10 -1.15 0.53 0.79 -0.17 0.00 0.00 175.17 175.27 3il6 n TRP 153 N 6.60 0.00 -0.01 -5.34 7.02 -1.26 -2.24 117.44 122.21 3il6 n TRP 153 Ca -0.08 -0.18 -0.01 0.00 -1.02 0.00 0.00 57.50 56.21 3il6 n TRP 153 Cb 0.43 -0.14 -0.02 0.00 -2.42 0.00 0.00 31.31 29.17 3il6 n TRP 153 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3il6 n THR 154 N 0.41 0.14 -2.53 -0.99 -2.24 -1.26 -4.81 114.28 103.00 3il6 n THR 154 Ca 0.00 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3il6 n THR 154 Cb 0.27 -0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 67.53 3il6 n THR 154 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3il6 s ASP 155 N -3.28 6.28 0.00 3.42 2.15 -0.95 -4.88 116.67 119.41 3il6 s ASP 155 Ca -0.01 -0.03 0.00 0.00 0.43 0.00 0.00 52.55 52.94 3il6 s ASP 155 Cb 0.01 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 3il6 s ASP 155 CO 0.08 -1.65 0.65 -2.11 -0.17 0.00 0.00 175.17 171.97 3il6 n ARG 156 N 8.79 0.99 -0.12 4.34 1.85 -1.26 -2.80 116.66 128.45 3il6 n ARG 156 Ca 0.08 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 57.01 3il6 n ARG 156 Cb 0.49 -1.34 0.14 0.00 -1.05 0.00 0.00 32.46 30.70 3il6 n ARG 156 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3il6 n SER 157 N -0.16 2.80 0.00 2.89 3.41 -1.26 -4.65 113.62 116.65 3il6 n SER 157 Ca 0.00 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 3il6 n SER 157 Cb 0.17 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3il6 n SER 157 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3il6 n THR 158 N 0.94 0.00 -0.23 6.66 -2.24 -1.21 -4.94 114.28 113.27 3il6 n THR 158 Ca 0.13 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.94 3il6 n THR 158 Cb 0.45 -0.22 0.15 0.00 -2.10 0.00 0.00 70.33 68.61 3il6 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3il6 h ALA 159 N 0.00 0.88 0.00 6.98 0.00 -1.76 0.74 119.26 126.10 3il6 h ALA 159 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3il6 h ALA 159 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3il6 h ALA 159 CO 0.00 -0.28 0.00 1.33 0.00 0.00 0.00 179.25 180.30 3il6 n VAL 160 N -5.10 1.20 0.06 0.00 0.24 -1.26 -3.00 118.33 110.47 3il6 n VAL 160 Ca 0.12 0.59 -0.11 0.00 -2.04 0.00 0.00 64.34 62.90 3il6 n VAL 160 Cb 0.38 -1.56 -0.13 0.00 -1.47 0.00 0.00 33.84 31.06 3il6 n VAL 160 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3il6 h LEU 161 N 0.00 0.15 -9.61 1.34 6.46 -1.20 -3.48 115.31 108.96 3il6 h LEU 161 Ca 0.00 -0.18 -0.66 0.00 -0.12 0.00 0.00 57.88 56.93 3il6 h LEU 161 Cb 0.07 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 39.87 3il6 h LEU 161 CO 0.00 1.14 -0.54 -0.36 -0.62 0.00 0.00 178.44 178.06 3il6 s PHE 162 N -2.67 3.40 0.26 1.25 0.40 -1.16 -1.01 117.98 118.44 3il6 s PHE 162 Ca -0.02 0.31 0.09 0.00 -0.60 0.00 0.00 56.93 56.71 3il6 s PHE 162 Cb 0.09 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 3il6 s PHE 162 CO 0.84 0.60 -0.14 0.20 0.70 0.00 0.00 175.22 177.42 3il6 s GLY 163 N -1.56 1.75 0.22 4.36 0.00 -0.26 -4.79 107.32 107.04 3il6 s GLY 163 Ca 0.21 -1.83 0.05 0.00 0.00 0.00 0.00 44.72 43.16 3il6 s GLY 163 CO 0.12 -1.88 0.30 0.99 0.00 0.00 0.00 173.10 172.63 3il6 s ASP 164 N -3.44 6.11 0.00 1.64 1.01 0.12 -4.25 116.67 117.87 3il6 s ASP 164 Ca 0.27 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.54 3il6 s ASP 164 Cb -0.01 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.17 3il6 s ASP 164 CO 0.12 -0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.07 3il6 n GLY 165 N -1.17 1.82 3.28 0.21 0.00 -1.11 -4.51 105.19 103.72 3il6 n GLY 165 Ca -0.08 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 3il6 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3il6 s ALA 166 N -1.96 -0.89 0.11 4.61 0.00 0.65 -2.31 121.76 121.97 3il6 s ALA 166 Ca 0.00 0.34 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 3il6 s ALA 166 Cb 0.00 0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.35 3il6 s ALA 166 CO 0.00 -0.34 0.56 0.00 0.00 0.00 0.00 175.76 175.98 3il6 s ALA 167 N -1.78 -1.45 0.00 0.00 0.00 -0.85 0.98 121.76 118.66 3il6 s ALA 167 Ca -0.10 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3il6 s ALA 167 Cb -0.03 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.76 3il6 s ALA 167 CO 0.02 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3il6 n GLY 168 N -0.07 1.65 3.17 0.00 0.00 -0.07 -0.82 105.19 109.04 3il6 n GLY 168 Ca -0.17 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 3il6 n GLY 168 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3il6 s VAL 169 N -2.75 0.17 -0.23 1.61 -7.23 -0.59 -1.98 120.40 109.40 3il6 s VAL 169 Ca 0.00 -1.47 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 3il6 s VAL 169 Cb 0.00 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 3il6 s VAL 169 CO 0.00 -0.75 0.17 -0.22 -0.31 0.00 0.00 175.10 173.98 3il6 s LEU 170 N -2.90 4.14 -0.10 1.32 2.96 -0.23 -2.25 118.68 121.63 3il6 s LEU 170 Ca 0.08 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 3il6 s LEU 170 Cb 0.06 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3il6 s LEU 170 CO -0.09 0.09 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.29 3il6 s ILE 171 N 0.88 3.31 0.07 6.68 1.01 0.26 -0.98 121.20 132.43 3il6 s ILE 171 Ca 0.08 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3il6 s ILE 171 Cb -0.13 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 3il6 s ILE 171 CO 0.03 0.55 0.08 -1.83 0.00 0.00 0.00 174.94 173.77 3il6 s GLU 172 N -0.19 0.73 -0.15 2.79 -1.05 -0.77 -0.96 118.70 119.10 3il6 s GLU 172 Ca 0.01 -1.10 -0.29 0.00 -0.15 0.00 0.00 54.97 53.44 3il6 s GLU 172 Cb -0.13 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 3il6 s GLU 172 CO 0.03 -0.19 1.49 0.00 0.95 0.00 0.00 175.26 177.54 3il6 s ALA 173 N -3.89 3.53 0.35 -0.84 0.00 -0.70 -1.86 121.76 118.35 3il6 s ALA 173 Ca 0.06 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.70 3il6 s ALA 173 Cb 0.06 -3.73 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 3il6 s ALA 173 CO -0.10 -1.48 0.47 0.00 0.00 0.00 0.00 175.76 174.65 3il6 s ALA 174 N 4.16 4.26 0.02 0.00 0.00 0.39 -4.86 121.76 125.72 3il6 s ALA 174 Ca 0.66 -1.50 0.11 0.00 0.00 0.00 0.00 51.96 51.22 3il6 s ALA 174 Cb -0.26 -1.64 -0.22 0.00 0.00 0.00 0.00 23.12 20.99 3il6 s ALA 174 CO 0.24 -0.06 0.89 1.49 0.00 0.00 0.00 175.76 178.32 3il6 h GLU 175 N 0.88 0.00 -6.85 0.00 4.81 -1.94 -2.92 114.58 108.56 3il6 h GLU 175 Ca -0.45 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.09 3il6 h GLU 175 Cb 1.26 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.41 3il6 h GLU 175 CO 0.52 0.68 -0.86 0.95 -0.73 0.00 0.00 179.01 179.56 3il6 s THR 176 N -2.64 2.31 0.51 0.32 -4.23 -1.26 -4.89 115.64 105.75 3il6 s THR 176 Ca -0.03 -1.64 -0.23 0.00 -1.18 0.00 0.00 61.69 58.62 3il6 s THR 176 Cb 0.09 -2.00 -0.06 0.00 1.34 0.00 0.00 72.50 71.87 3il6 s THR 176 CO 0.82 0.16 1.35 -2.16 -0.54 0.00 0.00 174.62 174.25 3il6 s PRO 177 N -1.87 3.38 0.00 3.99 0.04 -1.26 -4.85 135.00 134.43 3il6 s PRO 177 Ca 0.14 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.40 3il6 s PRO 177 Cb -0.10 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3il6 s PRO 177 CO 0.05 -0.99 0.00 0.72 0.04 0.00 0.00 177.00 176.82 3il6 n HIS 178 N -0.71 0.00 -2.77 0.56 8.25 -1.26 -4.88 115.22 114.41 3il6 n HIS 178 Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 3il6 n HIS 178 Cb 0.45 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 3il6 n HIS 178 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3il6 s PHE 179 N -1.72 2.73 -0.01 4.41 0.08 -1.26 -1.21 117.98 121.00 3il6 s PHE 179 Ca 0.00 -0.80 -0.21 0.00 0.12 0.00 0.00 56.93 56.04 3il6 s PHE 179 Cb 0.00 -4.42 -0.24 0.00 -0.57 0.00 0.00 43.02 37.79 3il6 s PHE 179 CO 0.00 -1.72 1.07 -0.07 -0.10 0.00 0.00 175.22 174.40 3il6 h LEU 180 N 11.60 0.47 -8.12 -0.37 4.07 -1.27 -3.49 115.31 118.20 3il6 h LEU 180 Ca -0.05 -0.77 -0.01 0.00 0.08 0.00 0.00 57.88 57.13 3il6 h LEU 180 Cb 1.04 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.58 3il6 h LEU 180 CO 1.22 1.18 0.09 0.21 -1.08 0.00 0.00 178.44 180.06 3il6 s ASN 181 N -6.67 -0.07 0.03 -0.43 2.47 -1.03 -5.00 114.94 104.24 3il6 s ASN 181 Ca -0.14 -0.87 -0.27 0.00 0.42 0.00 0.00 52.86 52.00 3il6 s ASN 181 Cb 0.03 0.70 0.09 0.00 -1.45 0.00 0.00 41.25 40.62 3il6 s ASN 181 CO 0.81 -1.33 0.79 -1.83 -3.72 0.00 0.00 177.10 171.81 3il6 s GLU 182 N -3.63 0.97 -0.29 0.43 -1.05 -1.26 -1.21 118.70 112.66 3il6 s GLU 182 Ca 0.17 -0.27 0.02 0.00 -0.15 0.00 0.00 54.97 54.75 3il6 s GLU 182 Cb -0.04 0.45 0.16 0.00 -0.44 0.00 0.00 34.13 34.27 3il6 s GLU 182 CO 0.09 -0.41 0.43 0.21 0.95 0.00 0.00 175.26 176.53 3il6 s LYS 183 N -2.98 0.43 -0.11 -4.83 2.20 -0.68 -5.00 119.74 108.77 3il6 s LYS 183 Ca 0.02 0.18 -0.10 0.00 -0.36 0.00 0.00 55.97 55.70 3il6 s LYS 183 Cb -0.01 -0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.01 3il6 s LYS 183 CO -0.08 -1.03 0.23 -0.51 -0.36 0.00 0.00 175.35 173.60 3il6 s LEU 184 N 2.57 4.36 0.18 5.43 1.43 -1.26 -1.99 118.68 129.41 3il6 s LEU 184 Ca 0.10 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.72 3il6 s LEU 184 Cb -0.12 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 3il6 s LEU 184 CO -0.30 0.31 0.17 -1.10 0.23 0.00 0.00 176.35 175.67 3il6 s GLN 185 N -0.61 1.16 0.15 1.70 -0.21 0.13 -4.98 119.66 116.99 3il6 s GLN 185 Ca 0.16 -1.47 -0.24 0.00 0.02 0.00 0.00 55.36 53.84 3il6 s GLN 185 Cb -0.13 0.30 0.07 0.00 1.00 0.00 0.00 33.01 34.25 3il6 s GLN 185 CO 0.05 -0.39 0.63 0.00 -2.12 0.00 0.00 175.29 173.47 3il6 s ALA 186 N -4.09 -1.62 -0.36 6.09 0.00 -1.26 -1.82 121.76 118.70 3il6 s ALA 186 Ca 0.30 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.82 3il6 s ALA 186 Cb 0.06 0.84 0.16 0.00 0.00 0.00 0.00 23.12 24.18 3il6 s ALA 186 CO 0.07 -0.77 0.42 0.34 0.00 0.00 0.00 175.76 175.83 3il6 s ASP 187 N -2.73 0.62 0.00 0.00 2.15 0.19 -4.97 116.67 111.93 3il6 s ASP 187 Ca 0.02 -1.25 0.26 0.00 0.43 0.00 0.00 52.55 52.01 3il6 s ASP 187 Cb -0.01 0.87 1.43 0.00 -0.30 0.00 0.00 42.92 44.91 3il6 s ASP 187 CO -0.12 -0.26 1.89 0.61 -0.17 0.00 0.00 175.17 177.12 3il6 n GLY 188 N 4.47 -0.97 0.00 2.66 0.00 -1.26 -0.64 105.19 109.45 3il6 n GLY 188 Ca 0.09 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3il6 n GLY 188 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3il6 n GLN 189 N -1.14 0.30 -0.83 1.61 6.02 -1.26 -2.69 117.38 119.38 3il6 n GLN 189 Ca 0.16 0.06 0.05 0.00 -0.01 0.00 0.00 57.00 57.26 3il6 n GLN 189 Cb 0.15 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.05 3il6 n GLN 189 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3il6 n ARG 190 N -1.32 1.07 0.30 -1.09 1.74 -1.14 -4.84 116.66 111.39 3il6 n ARG 190 Ca 0.11 -2.83 0.19 0.00 -0.77 0.00 0.00 57.85 54.55 3il6 n ARG 190 Cb 0.21 -1.12 0.94 0.00 -1.02 0.00 0.00 32.46 31.48 3il6 n ARG 190 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 3il6 h TRP 191 N 0.92 0.00 0.00 -1.55 5.08 -1.63 -2.46 115.95 116.31 3il6 h TRP 191 Ca -0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.90 3il6 h TRP 191 Cb 1.27 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.43 3il6 h TRP 191 CO 0.53 0.02 0.00 0.25 -1.28 0.00 0.00 178.44 177.97 3il6 n THR 192 N -3.20 0.77 0.27 0.12 -2.24 -1.26 -3.35 114.28 105.39 3il6 n THR 192 Ca -0.01 0.12 0.14 0.00 -2.27 0.00 0.00 64.05 62.02 3il6 n THR 192 Cb 0.19 -1.01 0.75 0.00 -2.10 0.00 0.00 70.33 68.15 3il6 n THR 192 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3il6 h ALA 193 N 2.36 1.23 -1.54 6.98 0.00 -1.80 -3.41 119.26 123.08 3il6 h ALA 193 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3il6 h ALA 193 Cb 0.43 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 17.94 3il6 h ALA 193 CO 0.00 0.13 -0.44 -1.17 0.00 0.00 0.00 179.25 177.77 3il6 s LEU 194 N -7.08 -0.96 0.11 0.00 2.96 -1.21 -1.07 118.68 111.42 3il6 s LEU 194 Ca -0.02 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 3il6 s LEU 194 Cb 0.13 1.45 -0.04 0.00 0.50 0.00 0.00 46.19 48.22 3il6 s LEU 194 CO 0.57 -0.31 -0.09 0.42 -1.32 0.00 0.00 176.35 175.63 3il6 s THR 195 N 2.65 0.91 -0.08 3.68 -4.23 -0.50 -4.53 115.64 113.53 3il6 s THR 195 Ca 0.13 -1.85 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 3il6 s THR 195 Cb -0.14 -1.59 0.11 0.00 1.34 0.00 0.00 72.50 72.22 3il6 s THR 195 CO -0.22 -0.72 0.94 -0.94 -0.54 0.00 0.00 174.62 173.14 3il6 s SER 196 N -2.84 -0.37 -0.48 3.99 1.04 -1.26 -0.65 113.70 113.13 3il6 s SER 196 Ca 0.11 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.74 3il6 s SER 196 Cb 0.01 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3il6 s SER 196 CO -0.01 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3il6 n GLY 197 N 0.24 0.27 3.77 7.32 0.00 -0.09 -5.01 105.19 111.69 3il6 n GLY 197 Ca -0.09 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 3il6 n GLY 197 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3il6 s TYR 198 N -2.25 2.68 -0.21 1.61 5.04 -1.26 -5.00 117.35 117.95 3il6 s TYR 198 Ca 0.00 1.38 0.01 0.00 -2.44 0.00 0.00 57.07 56.02 3il6 s TYR 198 Cb 0.00 -3.73 0.03 0.00 0.35 0.00 0.00 41.96 38.61 3il6 s TYR 198 CO 0.00 -2.34 -0.16 0.99 -1.34 0.00 0.00 175.55 172.69 3il6 s THR 199 N -1.27 2.16 0.20 4.34 2.01 -1.26 -4.54 115.64 117.29 3il6 s THR 199 Ca 0.60 -1.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 3il6 s THR 199 Cb -0.39 -2.04 -0.08 0.00 0.01 0.00 0.00 72.50 70.00 3il6 s THR 199 CO 0.50 0.34 1.19 -0.63 -0.69 0.00 0.00 174.62 175.33 3il6 s ILE 200 N 1.24 3.53 -0.33 1.82 1.01 -1.26 -4.99 121.20 122.21 3il6 s ILE 200 Ca 0.00 1.33 -0.21 0.00 0.00 0.00 0.00 60.65 61.78 3il6 s ILE 200 Cb -0.15 -3.85 -0.00 0.00 0.01 0.00 0.00 42.46 38.47 3il6 s ILE 200 CO -0.10 0.23 0.65 0.21 0.00 0.00 0.00 174.94 175.93 3il6 s ASN 201 N -0.03 6.47 -0.31 3.58 3.84 -1.26 -4.93 114.94 122.30 3il6 s ASN 201 Ca 0.51 0.30 0.11 0.00 0.21 0.00 0.00 52.86 54.00 3il6 s ASN 201 Cb -0.33 -2.33 0.46 0.00 -0.55 0.00 0.00 41.25 38.50 3il6 s ASN 201 CO 0.38 -0.55 1.13 -1.84 -2.79 0.00 0.00 177.10 173.43 3il6 n GLU 202 N 6.00 2.90 -2.15 0.43 0.28 -1.26 -4.85 120.64 121.98 3il6 n GLU 202 Ca -0.01 -3.99 -0.30 0.00 -0.16 0.00 0.00 57.16 52.70 3il6 n GLU 202 Cb 0.49 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 31.34 3il6 n GLU 202 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3il6 s SER 203 N -3.59 6.30 0.00 -1.84 1.04 -1.26 -4.90 113.70 109.44 3il6 s SER 203 Ca 0.43 1.31 0.06 0.00 0.48 0.00 0.00 55.95 58.23 3il6 s SER 203 Cb 0.39 -2.42 0.36 0.00 0.10 0.00 0.00 66.02 64.45 3il6 s SER 203 CO -0.02 -0.75 0.92 -0.81 0.98 0.00 0.00 173.24 173.56 3il6 n PRO 204 N -2.44 0.16 -0.01 4.02 -0.04 -1.26 -1.93 135.00 133.51 3il6 n PRO 204 Ca 0.05 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 3il6 n PRO 204 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 3il6 n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3il6 n PHE 205 N -1.10 0.00 -2.22 0.54 3.72 -1.26 -4.98 117.46 112.15 3il6 n PHE 205 Ca 0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 3il6 n PHE 205 Cb 0.03 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.18 3il6 n PHE 205 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3il6 s TYR 206 N -3.23 3.28 -0.56 1.38 5.04 -0.81 -4.91 117.35 117.54 3il6 s TYR 206 Ca -0.04 1.08 0.05 0.00 -2.44 0.00 0.00 57.07 55.72 3il6 s TYR 206 Cb 0.13 -3.62 0.01 0.00 0.35 0.00 0.00 41.96 38.83 3il6 s TYR 206 CO 0.80 -2.07 0.53 1.04 -1.34 0.00 0.00 175.55 174.50 3il6 n GLN 207 N 3.59 1.60 -1.98 4.97 6.02 -1.26 -4.93 117.38 125.40 3il6 n GLN 207 Ca 0.10 -0.57 -0.29 0.00 -0.01 0.00 0.00 57.00 56.23 3il6 n GLN 207 Cb 0.43 -0.99 0.05 0.00 1.02 0.00 0.00 30.24 30.75 3il6 n GLN 207 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3il6 s GLY 208 N -0.80 1.62 -0.29 1.08 0.00 -1.26 -4.99 107.32 102.68 3il6 s GLY 208 Ca 0.05 -0.43 0.08 0.00 0.00 0.00 0.00 44.72 44.42 3il6 s GLY 208 CO 0.12 -0.07 1.34 1.42 0.00 0.00 0.00 173.10 175.90 3il6 n HIS 209 N -2.95 1.31 -2.11 1.90 8.25 -1.26 -5.03 115.22 115.33 3il6 n HIS 209 Ca 0.07 -1.83 -0.42 0.00 -0.26 0.00 0.00 57.72 55.27 3il6 n HIS 209 Cb 0.58 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3il6 n HIS 209 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3il6 s LYS 210 N -3.38 4.27 0.01 -0.41 3.01 -1.26 -5.01 119.74 116.97 3il6 s LYS 210 Ca 0.45 2.13 0.01 0.00 -1.01 0.00 0.00 55.97 57.56 3il6 s LYS 210 Cb 0.40 -3.38 -0.01 0.00 -1.01 0.00 0.00 37.83 33.83 3il6 s LYS 210 CO -0.02 -0.55 -0.04 -0.65 0.51 0.00 0.00 175.35 174.61 3il6 s GLN 211 N 1.71 0.30 -0.30 1.68 -0.21 -1.26 -4.81 119.66 116.77 3il6 s GLN 211 Ca 0.67 -0.32 -0.10 0.00 0.02 0.00 0.00 55.36 55.63 3il6 s GLN 211 Cb -0.37 -0.17 0.16 0.00 1.00 0.00 0.00 33.01 33.63 3il6 s GLN 211 CO 0.30 0.04 0.79 0.00 -2.12 0.00 0.00 175.29 174.30 3il6 s ALA 212 N -0.57 -2.48 0.58 6.09 0.00 -1.26 -5.03 121.76 119.10 3il6 s ALA 212 Ca -0.04 2.03 0.39 0.00 0.00 0.00 0.00 51.96 54.33 3il6 s ALA 212 Cb -0.04 -2.05 1.36 0.00 0.00 0.00 0.00 23.12 22.39 3il6 s ALA 212 CO -0.00 -1.10 1.47 0.66 0.00 0.00 0.00 175.76 176.79 3il6 h SER 213 N 7.85 0.00 0.00 0.00 4.64 -2.01 -3.45 113.55 120.59 3il6 h SER 213 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3il6 h SER 213 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3il6 h SER 213 CO 0.11 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.24 3il6 n LYS 214 N -3.63 0.00 -2.75 4.77 0.00 -1.26 -4.97 118.16 110.32 3il6 n LYS 214 Ca 0.34 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 58.33 3il6 n LYS 214 Cb 1.75 -1.08 -0.04 0.00 0.00 0.00 0.00 35.03 35.66 3il6 n LYS 214 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3il6 s THR 215 N -2.63 4.62 0.28 3.15 -4.23 -1.26 -0.91 115.64 114.65 3il6 s THR 215 Ca 0.00 1.01 -0.29 0.00 -1.18 0.00 0.00 61.69 61.23 3il6 s THR 215 Cb 0.00 -3.68 -0.14 0.00 1.34 0.00 0.00 72.50 70.02 3il6 s THR 215 CO 0.00 -0.48 1.16 -0.11 -0.54 0.00 0.00 174.62 174.65 3il6 n LEU 216 N -1.12 2.38 -3.91 4.79 0.00 0.16 -4.68 117.00 114.62 3il6 n LEU 216 Ca 0.05 1.17 -0.22 0.00 0.00 0.00 0.00 56.01 57.01 3il6 n LEU 216 Cb 0.54 -1.35 -0.17 0.00 0.00 0.00 0.00 43.42 42.45 3il6 n LEU 216 CO 0.44 -1.02 -0.42 -1.10 0.00 0.00 0.00 177.39 175.29 3il6 s GLN 217 N -1.27 1.09 -0.01 1.96 -1.52 0.18 -4.91 119.66 115.18 3il6 s GLN 217 Ca 0.61 -0.17 -0.02 0.00 -1.95 0.00 0.00 55.36 53.83 3il6 s GLN 217 Cb -0.68 -1.07 0.00 0.00 -0.22 0.00 0.00 33.01 31.04 3il6 s GLN 217 CO 0.58 -0.10 0.04 0.00 -0.25 0.00 0.00 175.29 175.56 3il6 s MET 218 N 1.05 0.08 -0.93 2.91 0.23 -1.26 -1.41 119.30 119.97 3il6 s MET 218 Ca -0.09 0.00 -0.12 0.00 -1.03 0.00 0.00 55.69 54.46 3il6 s MET 218 Cb -0.14 0.04 0.24 0.00 -1.53 0.00 0.00 34.83 33.43 3il6 s MET 218 CO -0.00 -0.01 0.89 -1.21 -2.03 0.00 0.00 175.02 172.65 3il6 s GLU 219 N -0.12 3.80 0.17 3.16 2.02 -0.24 -4.96 118.70 122.53 3il6 s GLU 219 Ca -0.02 -2.75 -0.27 0.00 0.02 0.00 0.00 54.97 51.95 3il6 s GLU 219 Cb -0.01 -4.46 0.01 0.00 0.10 0.00 0.00 34.13 29.76 3il6 s GLU 219 CO 0.00 -1.27 1.55 0.78 0.02 0.00 0.00 175.26 176.34 3il6 h GLY 220 N 7.35 -0.60 0.84 -1.39 0.00 -1.98 -1.67 103.07 105.62 3il6 h GLY 220 Ca 0.13 0.65 0.03 0.00 0.00 0.00 0.00 47.33 48.15 3il6 h GLY 220 CO 0.84 -0.10 0.39 -0.09 0.00 0.00 0.00 176.54 177.58 3il6 h ARG 221 N -0.17 0.73 0.15 4.80 9.65 -1.98 0.03 114.38 127.59 3il6 h ARG 221 Ca 0.18 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3il6 h ARG 221 Cb 0.53 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 3il6 h ARG 221 CO -0.78 0.48 -0.12 0.77 2.80 0.00 0.00 179.97 183.12 3il6 h SER 222 N 0.75 -0.31 0.89 -3.80 0.02 -1.79 -0.92 113.55 108.38 3il6 h SER 222 Ca 0.26 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.15 3il6 h SER 222 Cb 0.04 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3il6 h SER 222 CO -0.11 -0.19 -0.43 0.16 -1.14 0.00 0.00 176.83 175.12 3il6 h ILE 223 N -0.28 0.96 -0.29 3.27 3.07 -1.24 -1.63 117.51 121.37 3il6 h ILE 223 Ca -0.01 -1.70 -0.05 0.00 1.55 0.00 0.00 64.86 64.65 3il6 h ILE 223 Cb 0.26 2.02 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 3il6 h ILE 223 CO -0.01 0.42 -0.02 0.15 -1.05 0.00 0.00 178.15 177.64 3il6 h PHE 224 N 0.00 0.58 -0.63 0.16 3.57 -0.76 -0.86 116.94 118.99 3il6 h PHE 224 Ca -0.00 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.30 3il6 h PHE 224 Cb 0.99 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 3il6 h PHE 224 CO 0.00 0.69 0.04 -0.44 -2.23 0.00 0.00 178.31 176.36 3il6 h ASP 225 N 0.30 1.06 -0.02 0.41 3.45 -1.03 -2.42 116.42 118.16 3il6 h ASP 225 Ca 0.08 -0.29 0.01 0.00 0.43 0.00 0.00 57.03 57.27 3il6 h ASP 225 Cb 0.47 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 3il6 h ASP 225 CO 0.02 1.09 -0.05 0.15 -1.57 0.00 0.00 179.24 178.88 3il6 h PHE 226 N 1.00 -0.11 -0.02 4.55 3.04 -1.14 -1.66 116.94 122.61 3il6 h PHE 226 Ca 0.18 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.16 3il6 h PHE 226 Cb 0.52 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.06 3il6 h PHE 226 CO 0.04 -0.07 -0.13 0.00 -2.02 0.00 0.00 178.31 176.12 3il6 h ALA 227 N 0.94 -0.13 -0.72 2.41 0.00 -1.02 0.99 119.26 121.72 3il6 h ALA 227 Ca 0.03 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3il6 h ALA 227 Cb 0.11 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3il6 h ALA 227 CO -0.07 -0.62 0.43 0.82 0.00 0.00 0.00 179.25 179.81 3il6 h ILE 228 N -0.21 1.01 0.02 0.00 1.08 -1.28 -0.86 117.51 117.28 3il6 h ILE 228 Ca 0.05 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3il6 h ILE 228 Cb 0.28 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 3il6 h ILE 228 CO -0.14 0.14 -0.01 0.50 -0.69 0.00 0.00 178.15 177.96 3il6 h LYS 229 N 0.79 -0.02 -0.11 2.37 3.64 -1.06 -3.30 116.57 118.88 3il6 h LYS 229 Ca 0.31 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.49 3il6 h LYS 229 Cb 0.15 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3il6 h LYS 229 CO -0.16 0.13 -0.78 -0.44 -2.27 0.00 0.00 179.45 175.93 3il6 h ASP 230 N -1.00 0.73 -0.10 4.20 3.32 -0.89 -2.94 116.42 119.75 3il6 h ASP 230 Ca -0.00 -0.49 -0.15 0.00 0.02 0.00 0.00 57.03 56.41 3il6 h ASP 230 Cb 0.17 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3il6 h ASP 230 CO 0.00 1.27 -0.44 0.58 -1.72 0.00 0.00 179.24 178.94 3il6 h VAL 231 N 0.41 1.30 -0.43 -1.35 2.07 -1.23 -1.61 116.25 115.41 3il6 h VAL 231 Ca -0.05 -1.62 0.02 0.00 0.82 0.00 0.00 66.70 65.86 3il6 h VAL 231 Cb 1.39 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 3il6 h VAL 231 CO 0.15 0.52 0.26 0.28 0.02 0.00 0.00 177.57 178.79 3il6 h SER 232 N 0.52 0.42 -0.67 0.57 0.02 -1.60 0.06 113.55 112.87 3il6 h SER 232 Ca 0.04 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3il6 h SER 232 Cb 0.97 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 3il6 h SER 232 CO 0.09 0.30 0.19 1.56 -1.14 0.00 0.00 176.83 177.83 3il6 h GLN 233 N 0.52 1.05 -0.77 3.45 4.20 -1.39 -1.44 115.11 120.74 3il6 h GLN 233 Ca 0.17 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3il6 h GLN 233 Cb -0.00 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 3il6 h GLN 233 CO -0.07 0.93 0.27 -0.97 -0.67 0.00 0.00 178.83 178.32 3il6 h ASN 234 N 0.98 1.10 -0.30 1.46 -0.73 -0.83 -2.45 115.58 114.81 3il6 h ASN 234 Ca 0.21 -0.19 -0.09 0.00 1.87 0.00 0.00 56.30 58.10 3il6 h ASN 234 Cb 0.32 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 3il6 h ASN 234 CO -0.00 1.00 -0.16 0.40 -0.37 0.00 0.00 177.43 178.29 3il6 h ILE 235 N 1.14 1.30 0.00 2.57 2.04 -0.82 -3.00 117.51 120.73 3il6 h ILE 235 Ca 0.25 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.84 3il6 h ILE 235 Cb 0.27 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3il6 h ILE 235 CO -0.01 0.41 0.00 0.18 0.00 0.00 0.00 178.15 178.72 3il6 n LEU 236 N -4.38 0.06 -0.02 1.44 4.77 -0.56 -1.80 117.00 116.51 3il6 n LEU 236 Ca -0.03 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 3il6 n LEU 236 Cb 0.39 -0.51 0.45 0.00 -2.33 0.00 0.00 43.42 41.42 3il6 n LEU 236 CO 0.42 -0.34 0.72 -1.54 -1.33 0.00 0.00 177.39 175.33 3il6 n SER 237 N -1.57 0.31 -0.02 -1.43 3.41 -0.94 -4.11 113.62 109.26 3il6 n SER 237 Ca 0.03 -0.01 -0.02 0.00 -0.26 0.00 0.00 58.87 58.61 3il6 n SER 237 Cb 0.14 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3il6 n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3il6 n LEU 238 N -1.40 0.15 -4.03 1.04 4.77 -0.75 -5.08 117.00 111.69 3il6 n LEU 238 Ca 0.08 -0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 3il6 n LEU 238 Cb 0.33 0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 3il6 n LEU 238 CO 0.30 0.13 0.15 0.68 -1.33 0.00 0.00 177.39 177.32 3il6 s VAL 239 N -2.10 0.00 0.16 4.08 -7.23 -0.91 -5.06 120.40 109.33 3il6 s VAL 239 Ca -0.02 -1.50 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3il6 s VAL 239 Cb 0.01 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 3il6 s VAL 239 CO 0.17 0.00 0.06 0.42 -0.31 0.00 0.00 175.10 175.44 3il6 s THR 240 N -3.58 0.21 0.37 5.32 -4.23 -1.26 -4.24 115.64 108.23 3il6 s THR 240 Ca 0.26 -1.94 0.16 0.00 -1.18 0.00 0.00 61.69 58.99 3il6 s THR 240 Cb -0.00 -2.18 0.37 0.00 1.34 0.00 0.00 72.50 72.03 3il6 s THR 240 CO 0.13 -0.35 1.74 -0.78 -0.54 0.00 0.00 174.62 174.82 3il6 h ASP 241 N 2.76 0.51 0.60 3.99 -0.00 -1.84 0.45 116.42 122.89 3il6 h ASP 241 Ca -0.36 0.11 0.00 0.00 -0.00 0.00 0.00 57.03 56.79 3il6 h ASP 241 Cb 1.21 0.04 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 3il6 h ASP 241 CO 0.59 0.05 0.00 -0.62 -0.00 0.00 0.00 179.24 179.26 3il6 n GLU 242 N -4.75 0.06 -0.24 0.28 4.71 -1.26 -3.45 120.64 115.99 3il6 n GLU 242 Ca 0.27 0.15 0.07 0.00 -0.01 0.00 0.00 57.16 57.65 3il6 n GLU 242 Cb 0.89 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.93 3il6 n GLU 242 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3il6 n THR 243 N -1.45 1.44 -3.83 2.62 -2.24 0.14 -5.03 114.28 105.92 3il6 n THR 243 Ca 0.06 -1.80 -0.13 0.00 -2.27 0.00 0.00 64.05 59.91 3il6 n THR 243 Cb 0.21 -0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.26 3il6 n THR 243 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3il6 s VAL 244 N -2.18 -0.02 -0.23 2.28 0.11 -1.18 -4.78 120.40 114.40 3il6 s VAL 244 Ca 0.25 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.35 3il6 s VAL 244 Cb 0.23 -0.08 -0.18 0.00 -1.53 0.00 0.00 36.38 34.81 3il6 s VAL 244 CO 0.01 0.02 -0.12 0.47 -3.33 0.00 0.00 175.10 172.15 3il6 n ASP 245 N 3.36 2.01 -3.82 3.54 8.00 -0.31 -4.92 116.55 124.41 3il6 n ASP 245 Ca -0.16 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.17 3il6 n ASP 245 Cb 0.57 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 3il6 n ASP 245 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3il6 s TYR 246 N -2.52 -0.08 -0.09 1.24 1.51 -1.13 -4.71 117.35 111.58 3il6 s TYR 246 Ca -0.33 0.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3il6 s TYR 246 Cb 0.09 0.02 0.02 0.00 -0.11 0.00 0.00 41.96 41.98 3il6 s TYR 246 CO 0.63 -0.30 -0.09 -0.51 -1.11 0.00 0.00 175.55 174.17 3il6 s LEU 247 N -1.14 1.35 -0.55 -1.29 1.02 0.17 -1.84 118.68 116.40 3il6 s LEU 247 Ca -0.12 -0.27 -0.06 0.00 0.02 0.00 0.00 54.13 53.70 3il6 s LEU 247 Cb -0.06 -0.77 0.14 0.00 0.02 0.00 0.00 46.19 45.52 3il6 s LEU 247 CO 0.02 -0.06 0.40 -0.76 0.02 0.00 0.00 176.35 175.97 3il6 s LEU 248 N 1.23 5.54 0.48 1.79 1.43 0.41 -2.12 118.68 127.44 3il6 s LEU 248 Ca -0.04 -2.38 -0.02 0.00 -1.03 0.00 0.00 54.13 50.65 3il6 s LEU 248 Cb -0.14 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3il6 s LEU 248 CO -0.03 -0.53 0.74 -0.76 0.23 0.00 0.00 176.35 176.00 3il6 s LEU 249 N 0.65 3.59 0.22 1.79 1.02 -1.26 -1.54 118.68 123.14 3il6 s LEU 249 Ca 0.12 0.55 -0.32 0.00 0.02 0.00 0.00 54.13 54.50 3il6 s LEU 249 Cb -0.21 -3.43 -0.12 0.00 0.02 0.00 0.00 46.19 42.45 3il6 s LEU 249 CO -0.03 -0.71 1.70 1.57 0.02 0.00 0.00 176.35 178.89 3il6 n HIS 250 N -2.20 2.77 -2.23 0.29 -0.00 0.23 -4.70 115.22 109.38 3il6 n HIS 250 Ca 0.01 0.08 -0.43 0.00 -0.00 0.00 0.00 57.72 57.39 3il6 n HIS 250 Cb 0.57 -2.66 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 3il6 n HIS 250 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3il6 n GLN 251 N 3.61 3.16 -0.06 1.57 1.13 -1.26 -4.59 117.38 120.94 3il6 n GLN 251 Ca 0.15 -3.12 -0.22 0.00 -1.94 0.00 0.00 57.00 51.87 3il6 n GLN 251 Cb 0.35 -3.25 -0.13 0.00 0.11 0.00 0.00 30.24 27.33 3il6 n GLN 251 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3il6 n ALA 252 N 6.23 1.00 -3.61 -1.58 0.00 -1.26 -4.27 120.51 117.01 3il6 n ALA 252 Ca 0.47 -0.72 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 3il6 n ALA 252 Cb 0.41 -0.47 -0.06 0.00 0.00 0.00 0.00 19.45 19.33 3il6 n ALA 252 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3il6 s ASN 253 N -6.95 -0.67 0.39 0.00 3.84 -1.26 -4.88 114.94 105.41 3il6 s ASN 253 Ca -0.28 1.04 0.06 0.00 0.21 0.00 0.00 52.86 53.89 3il6 s ASN 253 Cb 0.08 1.38 0.77 0.00 -0.55 0.00 0.00 41.25 42.93 3il6 s ASN 253 CO 0.67 -0.16 2.00 0.58 -2.79 0.00 0.00 177.10 177.40 3il6 h VAL 254 N 5.13 1.14 0.00 -5.21 2.07 -1.94 -2.20 116.25 115.24 3il6 h VAL 254 Ca -0.26 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3il6 h VAL 254 Cb 1.19 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3il6 h VAL 254 CO 0.17 0.16 -0.08 0.03 0.02 0.00 0.00 177.57 177.86 3il6 h ARG 255 N 0.54 0.00 -0.44 1.57 2.47 -1.97 0.76 114.38 117.32 3il6 h ARG 255 Ca 0.14 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.80 3il6 h ARG 255 Cb 0.07 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 3il6 h ARG 255 CO -0.02 0.08 0.06 0.82 0.56 0.00 0.00 179.97 181.48 3il6 h ILE 256 N 0.00 1.25 -0.52 2.04 2.04 -1.80 -1.33 117.51 119.18 3il6 h ILE 256 Ca -0.00 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 3il6 h ILE 256 Cb 0.21 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3il6 h ILE 256 CO 0.01 0.31 0.01 0.40 0.00 0.00 0.00 178.15 178.88 3il6 h ILE 257 N 0.58 1.26 -0.36 -0.67 2.04 -1.06 0.11 117.51 119.41 3il6 h ILE 257 Ca 0.13 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 64.97 3il6 h ILE 257 Cb 0.39 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3il6 h ILE 257 CO 0.01 0.38 0.03 0.44 0.00 0.00 0.00 178.15 179.01 3il6 h ASP 258 N 0.78 -0.07 0.24 1.72 3.45 -0.65 -1.36 116.42 120.52 3il6 h ASP 258 Ca 0.15 0.07 -0.20 0.00 0.43 0.00 0.00 57.03 57.48 3il6 h ASP 258 Cb 0.51 0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.40 3il6 h ASP 258 CO 0.02 -0.00 -0.78 0.11 -1.57 0.00 0.00 179.24 177.03 3il6 h LYS 259 N 0.14 0.44 -0.42 3.56 1.57 -1.06 -3.16 116.57 117.64 3il6 h LYS 259 Ca 0.17 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 3il6 h LYS 259 Cb 0.22 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3il6 h LYS 259 CO -0.26 1.02 -0.05 0.82 -0.57 0.00 0.00 179.45 180.41 3il6 h ILE 260 N 0.29 1.24 -0.59 1.86 2.04 -0.52 -0.62 117.51 121.21 3il6 h ILE 260 Ca -0.04 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 3il6 h ILE 260 Cb 1.37 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 3il6 h ILE 260 CO 0.14 0.36 0.15 0.00 0.00 0.00 0.00 178.15 178.79 3il6 h ALA 261 N 1.29 1.16 -0.13 1.87 0.00 -1.28 -0.28 119.26 121.90 3il6 h ALA 261 Ca 0.12 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3il6 h ALA 261 Cb 0.49 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3il6 h ALA 261 CO 0.03 0.57 -0.48 0.00 0.00 0.00 0.00 179.25 179.37 3il6 h ARG 262 N 0.87 0.55 -0.22 0.00 3.08 -1.42 -0.62 114.38 116.61 3il6 h ARG 262 Ca 0.19 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 59.83 3il6 h ARG 262 Cb 0.30 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3il6 h ARG 262 CO -0.00 1.04 0.12 -0.22 -1.07 0.00 0.00 179.97 179.84 3il6 h LYS 263 N 0.17 0.25 0.00 0.04 1.63 -0.92 -2.83 116.57 114.91 3il6 h LYS 263 Ca -0.02 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3il6 h LYS 263 Cb 1.11 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 3il6 h LYS 263 CO 0.10 0.16 -0.17 0.25 -3.45 0.00 0.00 179.45 176.34 3il6 n THR 264 N -4.97 0.03 -2.78 1.00 -2.24 -0.13 -4.95 114.28 100.24 3il6 n THR 264 Ca -0.03 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.52 3il6 n THR 264 Cb 0.05 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.04 3il6 n THR 264 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3il6 n LYS 265 N -1.55 -3.66 -4.07 -0.78 5.02 -0.29 -4.69 118.16 108.15 3il6 n LYS 265 Ca 0.06 0.95 -0.35 0.00 -2.02 0.00 0.00 58.31 56.96 3il6 n LYS 265 Cb 0.34 -5.73 -0.09 0.00 -0.02 0.00 0.00 35.03 29.53 3il6 n LYS 265 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3il6 s ILE 266 N -3.13 4.82 -0.39 -0.18 1.01 -0.90 -4.50 121.20 117.92 3il6 s ILE 266 Ca 0.19 -0.04 -0.43 0.00 0.00 0.00 0.00 60.65 60.37 3il6 s ILE 266 Cb -0.08 -3.12 -0.17 0.00 0.01 0.00 0.00 42.46 39.09 3il6 s ILE 266 CO 0.23 0.53 1.76 -0.24 0.00 0.00 0.00 174.94 177.21 3il6 n SER 267 N 2.88 1.79 -0.28 3.58 2.88 -1.26 -4.67 113.62 118.55 3il6 n SER 267 Ca -0.18 1.04 0.18 0.00 -1.33 0.00 0.00 58.87 58.59 3il6 n SER 267 Cb 0.53 -1.03 0.47 0.00 -0.75 0.00 0.00 64.21 63.44 3il6 n SER 267 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3il6 h ARG 268 N 6.88 0.46 0.00 -1.46 9.65 -1.96 -0.06 114.38 127.89 3il6 h ARG 268 Ca -0.41 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3il6 h ARG 268 Cb 1.35 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 3il6 h ARG 268 CO 0.98 0.31 0.00 -0.85 2.80 0.00 0.00 179.97 183.21 3il6 n GLU 269 N -4.57 0.02 0.18 0.20 0.00 -1.26 -2.25 120.64 112.96 3il6 n GLU 269 Ca 0.21 0.29 0.09 0.00 0.00 0.00 0.00 57.16 57.75 3il6 n GLU 269 Cb 0.69 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.74 3il6 n GLU 269 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3il6 h LYS 270 N 0.00 0.00 -5.86 3.44 1.57 -1.28 -3.42 116.57 111.02 3il6 h LYS 270 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 3il6 h LYS 270 Cb 0.19 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.38 3il6 h LYS 270 CO 0.00 0.14 0.41 -0.06 -0.57 0.00 0.00 179.45 179.36 3il6 s PHE 271 N -3.15 3.01 0.40 -1.35 0.40 -0.95 -0.65 117.98 115.68 3il6 s PHE 271 Ca 0.05 0.31 -0.22 0.00 -0.60 0.00 0.00 56.93 56.46 3il6 s PHE 271 Cb 0.06 -3.66 -0.11 0.00 0.51 0.00 0.00 43.02 39.83 3il6 s PHE 271 CO 0.70 -0.95 0.95 -0.51 0.70 0.00 0.00 175.22 176.12 3il6 s LEU 272 N 3.33 4.05 0.02 -0.37 1.43 -0.90 -4.97 118.68 121.28 3il6 s LEU 272 Ca 0.32 1.74 -0.06 0.00 -1.03 0.00 0.00 54.13 55.09 3il6 s LEU 272 Cb -0.12 -4.39 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 3il6 s LEU 272 CO 0.22 -0.28 0.11 0.42 0.23 0.00 0.00 176.35 177.05 3il6 s THR 273 N -2.01 0.11 -0.23 5.49 -4.23 -1.26 -4.58 115.64 108.93 3il6 s THR 273 Ca 0.59 -0.92 0.09 0.00 -1.18 0.00 0.00 61.69 60.26 3il6 s THR 273 Cb -0.12 -0.69 0.27 0.00 1.34 0.00 0.00 72.50 73.30 3il6 s THR 273 CO 0.16 -0.51 1.33 -0.46 -0.54 0.00 0.00 174.62 174.60 3il6 n ASN 274 N 1.06 -1.26 0.21 3.99 6.94 -1.26 -4.97 115.26 119.96 3il6 n ASN 274 Ca -0.21 -2.07 0.07 0.00 -0.02 0.00 0.00 54.58 52.35 3il6 n ASN 274 Cb 0.57 0.54 0.44 0.00 -2.36 0.00 0.00 39.78 38.98 3il6 n ASN 274 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3il6 h MET 275 N 0.67 0.00 -0.86 -3.83 2.86 -1.86 -3.36 114.93 108.55 3il6 h MET 275 Ca -0.46 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.38 3il6 h MET 275 Cb 1.31 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.81 3il6 h MET 275 CO -0.21 0.30 -0.09 0.22 1.06 0.00 0.00 176.91 178.19 3il6 h ASP 276 N 0.00 -0.59 -0.01 1.22 3.58 -1.89 0.27 116.42 118.99 3il6 h ASP 276 Ca -0.00 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.69 3il6 h ASP 276 Cb 0.70 0.47 0.00 0.00 1.72 0.00 0.00 39.33 42.22 3il6 h ASP 276 CO 0.04 -0.27 -0.57 0.29 -2.88 0.00 0.00 179.24 175.85 3il6 n LYS 277 N -5.48 1.10 -0.01 0.28 4.76 -1.26 -1.17 118.16 116.40 3il6 n LYS 277 Ca 0.15 -0.70 -0.01 0.00 -2.87 0.00 0.00 58.31 54.89 3il6 n LYS 277 Cb 0.52 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 3il6 n LYS 277 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3il6 n TYR 278 N -0.42 0.00 -4.09 2.13 4.02 -0.83 -3.96 117.16 114.01 3il6 n TYR 278 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 3il6 n TYR 278 Cb 0.40 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 3il6 n TYR 278 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3il6 n GLY 279 N 3.00 -1.50 3.56 2.72 0.00 0.87 -3.75 105.19 110.10 3il6 n GLY 279 Ca -0.02 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 3il6 n GLY 279 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3il6 s ASN 280 N -4.00 6.50 -0.31 1.61 3.84 -0.18 -4.72 114.94 117.67 3il6 s ASN 280 Ca 0.00 0.11 0.10 0.00 0.21 0.00 0.00 52.86 53.29 3il6 s ASN 280 Cb 0.00 -2.45 0.72 0.00 -0.55 0.00 0.00 41.25 38.97 3il6 s ASN 280 CO 0.00 -1.06 1.76 0.35 -2.79 0.00 0.00 177.10 175.36 3il6 n THR 281 N 6.43 2.87 0.00 -5.21 -2.24 -1.26 -1.10 114.28 113.77 3il6 n THR 281 Ca 0.06 -1.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 3il6 n THR 281 Cb 0.48 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 3il6 n THR 281 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3il6 n SER 282 N -0.24 0.00 0.01 3.42 2.88 -1.26 -1.44 113.62 116.98 3il6 n SER 282 Ca 0.39 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 58.14 3il6 n SER 282 Cb 1.33 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 65.51 3il6 n SER 282 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3il6 h ALA 283 N -0.47 2.43 0.00 -1.46 0.00 -1.90 -0.31 119.26 117.54 3il6 h ALA 283 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3il6 h ALA 283 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3il6 h ALA 283 CO 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 179.25 178.56 3il6 h ALA 284 N 1.67 1.00 -0.27 0.00 0.00 -1.38 -3.38 119.26 116.90 3il6 h ALA 284 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3il6 h ALA 284 Cb 1.08 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3il6 h ALA 284 CO -0.00 0.00 -0.14 0.66 0.00 0.00 0.00 179.25 179.77 3il6 h SER 285 N 0.00 -0.46 -0.08 0.00 4.64 -1.07 -1.07 113.55 115.52 3il6 h SER 285 Ca 0.00 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3il6 h SER 285 Cb 0.69 0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3il6 h SER 285 CO 0.00 -0.17 0.00 0.40 -0.87 0.00 0.00 176.83 176.19 3il6 h ILE 286 N -0.10 1.24 0.00 0.95 2.04 -1.78 -1.75 117.51 118.11 3il6 h ILE 286 Ca 0.14 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 3il6 h ILE 286 Cb 0.32 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3il6 h ILE 286 CO -0.34 0.21 -0.23 1.55 0.00 0.00 0.00 178.15 179.34 3il6 h PRO 287 N -0.13 0.00 -0.12 2.37 0.13 -1.77 0.27 132.00 132.75 3il6 h PRO 287 Ca 0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.07 3il6 h PRO 287 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 3il6 h PRO 287 CO 0.00 0.23 -0.25 0.82 -0.23 0.00 0.00 178.00 178.57 3il6 h ILE 288 N 0.00 1.38 -0.77 -3.56 2.04 -1.15 -0.89 117.51 114.56 3il6 h ILE 288 Ca -0.00 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 3il6 h ILE 288 Cb 0.58 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 3il6 h ILE 288 CO 0.03 0.45 0.40 0.25 0.00 0.00 0.00 178.15 179.28 3il6 h LEU 289 N -0.03 0.97 -0.21 1.44 5.85 -0.94 -1.85 115.31 120.54 3il6 h LEU 289 Ca 0.00 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3il6 h LEU 289 Cb 0.85 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3il6 h LEU 289 CO 0.06 0.81 0.10 0.25 -0.34 0.00 0.00 178.44 179.31 3il6 h LEU 290 N 1.07 0.28 -1.00 2.25 5.85 -0.40 -1.23 115.31 122.13 3il6 h LEU 290 Ca 0.27 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3il6 h LEU 290 Cb 0.07 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3il6 h LEU 290 CO -0.04 0.34 0.29 -0.78 -0.34 0.00 0.00 178.44 177.92 3il6 h ASP 291 N 0.20 0.92 -0.24 1.25 3.58 -0.96 -1.26 116.42 119.92 3il6 h ASP 291 Ca 0.07 -0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 3il6 h ASP 291 Cb 0.14 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 3il6 h ASP 291 CO -0.01 0.81 -0.08 -0.33 -2.88 0.00 0.00 179.24 176.76 3il6 h GLU 292 N 0.99 0.47 0.00 0.28 5.08 -1.16 0.77 114.58 121.02 3il6 h GLU 292 Ca 0.24 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3il6 h GLU 292 Cb 0.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3il6 h GLU 292 CO -0.02 0.71 -0.21 0.00 -1.00 0.00 0.00 179.01 178.49 3il6 h ALA 293 N 0.75 1.66 0.09 3.43 0.00 -0.99 -0.56 119.26 123.63 3il6 h ALA 293 Ca 0.06 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3il6 h ALA 293 Cb 0.55 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.32 3il6 h ALA 293 CO 0.03 0.26 -0.62 0.28 0.00 0.00 0.00 179.25 179.19 3il6 h VAL 294 N 0.00 1.54 -0.97 0.00 2.07 -1.14 0.51 116.25 118.26 3il6 h VAL 294 Ca -0.00 -2.38 0.10 0.00 0.82 0.00 0.00 66.70 65.24 3il6 h VAL 294 Cb 0.37 3.08 -0.08 0.00 -1.52 0.00 0.00 31.29 33.14 3il6 h VAL 294 CO 0.03 0.67 0.61 -0.08 0.02 0.00 0.00 177.57 178.82 3il6 h GLU 295 N -0.41 0.99 -0.46 1.57 4.81 -0.43 -2.10 114.58 118.54 3il6 h GLU 295 Ca -0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3il6 h GLU 295 Cb 1.45 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3il6 h GLU 295 CO 0.12 0.66 0.00 0.27 -0.73 0.00 0.00 179.01 179.32 3il6 n ASN 296 N -4.60 2.99 0.00 1.04 0.23 -0.25 -4.96 115.26 109.71 3il6 n ASN 296 Ca 0.17 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 3il6 n ASN 296 Cb 0.28 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 3il6 n ASN 296 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3il6 n GLY 297 N 1.41 0.68 0.12 4.83 0.00 -0.79 -4.93 105.19 106.51 3il6 n GLY 297 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 3il6 n GLY 297 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3il6 h THR 298 N 0.00 1.01 -2.79 2.61 2.02 -1.30 -3.43 112.91 111.03 3il6 h THR 298 Ca 0.00 -1.00 -0.64 0.00 0.77 0.00 0.00 66.41 65.53 3il6 h THR 298 Cb 0.00 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 3il6 h THR 298 CO 0.00 0.22 -0.41 -0.76 0.37 0.00 0.00 175.52 174.95 3il6 s LEU 299 N -9.21 4.40 -0.17 2.58 1.43 -0.02 -5.01 118.68 112.69 3il6 s LEU 299 Ca -0.14 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 3il6 s LEU 299 Cb 0.01 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.91 3il6 s LEU 299 CO 0.57 0.34 -0.08 -0.63 0.23 0.00 0.00 176.35 176.78 3il6 s ILE 300 N -1.13 1.34 0.18 -0.59 1.01 -1.26 -4.23 121.20 116.51 3il6 s ILE 300 Ca 0.21 -0.73 -0.31 0.00 0.00 0.00 0.00 60.65 59.83 3il6 s ILE 300 Cb -0.13 -1.43 -0.09 0.00 0.01 0.00 0.00 42.46 40.81 3il6 s ILE 300 CO 0.10 0.21 1.43 -0.76 0.00 0.00 0.00 174.94 175.91 3il6 s LEU 301 N 1.54 4.38 0.00 2.97 1.43 -1.26 -2.20 118.68 125.55 3il6 s LEU 301 Ca 0.01 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 3il6 s LEU 301 Cb -0.15 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3il6 s LEU 301 CO -0.08 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 176.43 3il6 n GLY 302 N 2.97 0.82 0.03 -3.19 0.00 -1.18 -4.91 105.19 99.72 3il6 n GLY 302 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3il6 n GLY 302 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3il6 n SER 303 N 0.00 0.52 -0.57 1.61 3.41 -0.93 -4.96 113.62 112.69 3il6 n SER 303 Ca 0.00 0.05 -0.07 0.00 -0.26 0.00 0.00 58.87 58.59 3il6 n SER 303 Cb 0.00 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3il6 n SER 303 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3il6 n GLN 304 N -1.77 -0.51 -2.00 4.33 6.02 -0.17 -4.98 117.38 118.30 3il6 n GLN 304 Ca 0.05 0.72 -0.42 0.00 -0.01 0.00 0.00 57.00 57.35 3il6 n GLN 304 Cb 0.38 -4.54 -0.03 0.00 1.02 0.00 0.00 30.24 27.08 3il6 n GLN 304 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3il6 s GLN 305 N -2.75 4.25 -0.50 -1.09 -0.21 -1.26 -4.60 119.66 113.51 3il6 s GLN 305 Ca 0.00 2.31 -0.28 0.00 0.02 0.00 0.00 55.36 57.40 3il6 s GLN 305 Cb 0.00 -3.13 0.03 0.00 1.00 0.00 0.00 33.01 30.91 3il6 s GLN 305 CO 0.00 -0.48 1.12 1.03 -2.12 0.00 0.00 175.29 174.84 3il6 s ARG 306 N 0.20 3.65 -0.05 2.91 0.52 -1.26 -1.55 118.95 123.38 3il6 s ARG 306 Ca 0.63 0.44 0.05 0.00 -0.52 0.00 0.00 55.73 56.34 3il6 s ARG 306 Cb -0.42 -3.93 -0.02 0.00 0.52 0.00 0.00 34.95 31.10 3il6 s ARG 306 CO 0.39 -1.42 -0.20 0.08 0.02 0.00 0.00 175.30 174.16 3il6 s VAL 307 N 4.46 2.53 -0.13 3.52 1.01 0.14 -1.16 120.40 130.77 3il6 s VAL 307 Ca 0.45 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3il6 s VAL 307 Cb -0.08 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3il6 s VAL 307 CO 0.30 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 175.15 3il6 s VAL 308 N -0.50 2.99 -0.22 2.92 1.01 -0.77 0.07 120.40 125.90 3il6 s VAL 308 Ca 0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 3il6 s VAL 308 Cb -0.11 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3il6 s VAL 308 CO 0.01 0.53 0.02 -0.76 0.00 0.00 0.00 175.10 174.90 3il6 s LEU 309 N 0.34 3.29 -0.23 3.92 1.43 -0.18 -0.45 118.68 126.81 3il6 s LEU 309 Ca -0.11 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3il6 s LEU 309 Cb -0.16 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.27 3il6 s LEU 309 CO 0.06 0.03 -0.02 -0.89 0.23 0.00 0.00 176.35 175.76 3il6 s THR 310 N 1.21 1.29 0.23 5.49 2.01 -0.59 -1.21 115.64 124.07 3il6 s THR 310 Ca 0.04 -1.11 0.07 0.00 0.31 0.00 0.00 61.69 60.99 3il6 s THR 310 Cb -0.15 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 3il6 s THR 310 CO 0.02 -0.17 0.16 -0.83 -0.69 0.00 0.00 174.62 173.10 3il6 s GLY 311 N 1.50 1.51 -0.23 4.40 0.00 -0.76 -0.60 107.32 113.14 3il6 s GLY 311 Ca -0.04 -1.40 -0.26 0.00 0.00 0.00 0.00 44.72 43.02 3il6 s GLY 311 CO -0.08 -1.44 0.80 -0.11 0.00 0.00 0.00 173.10 172.28 3il6 s PHE 312 N -2.06 -0.67 0.00 1.90 -0.12 -1.26 -1.55 117.98 114.22 3il6 s PHE 312 Ca 0.32 1.53 0.00 0.00 -0.05 0.00 0.00 56.93 58.73 3il6 s PHE 312 Cb -0.08 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.64 3il6 s PHE 312 CO 0.24 -0.39 0.00 0.41 -0.05 0.00 0.00 175.22 175.43 3il6 n GLY 313 N 2.14 1.08 3.73 1.99 0.00 0.26 -4.36 105.19 110.04 3il6 n GLY 313 Ca -0.14 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 3il6 n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3il6 n GLY 314 N 0.00 0.70 0.00 -0.02 0.00 -1.26 -1.41 105.19 103.19 3il6 n GLY 314 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3il6 n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3il6 n GLY 315 N 0.79 0.86 3.79 -0.02 0.00 -1.26 -3.15 105.19 106.19 3il6 n GLY 315 Ca 0.10 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3il6 n GLY 315 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3il6 s LEU 316 N 0.00 3.93 0.10 0.99 1.02 0.18 -3.95 118.68 120.95 3il6 s LEU 316 Ca 0.00 2.04 0.03 0.00 0.02 0.00 0.00 54.13 56.23 3il6 s LEU 316 Cb 0.00 -4.43 -0.04 0.00 0.02 0.00 0.00 46.19 41.75 3il6 s LEU 316 CO 0.00 -0.79 -0.09 0.42 0.02 0.00 0.00 176.35 175.91 3il6 s THR 317 N -1.81 0.88 -0.23 5.49 -4.23 -0.50 -0.64 115.64 114.61 3il6 s THR 317 Ca 0.65 -1.77 -0.31 0.00 -1.18 0.00 0.00 61.69 59.08 3il6 s THR 317 Cb -0.21 -1.50 0.16 0.00 1.34 0.00 0.00 72.50 72.30 3il6 s THR 317 CO 0.25 -0.68 1.22 -1.66 -0.54 0.00 0.00 174.62 173.21 3il6 s TRP 318 N -2.90 -0.15 0.00 3.99 -2.14 -0.76 -0.57 118.94 116.41 3il6 s TRP 318 Ca 0.08 0.23 0.00 0.00 2.66 0.00 0.00 56.10 59.08 3il6 s TRP 318 Cb 0.00 0.49 0.00 0.00 -3.10 0.00 0.00 33.47 30.86 3il6 s TRP 318 CO -0.01 -0.16 0.00 0.41 -2.66 0.00 0.00 176.95 174.53 3il6 n GLY 319 N 0.47 0.79 3.21 3.67 0.00 -0.60 0.17 105.19 112.90 3il6 n GLY 319 Ca -0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 3il6 n GLY 319 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3il6 s SER 320 N 0.00 1.82 -0.05 1.61 0.01 -0.84 -1.82 113.70 114.42 3il6 s SER 320 Ca 0.00 -0.76 0.04 0.00 1.31 0.00 0.00 55.95 56.53 3il6 s SER 320 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 3il6 s SER 320 CO 0.00 -0.15 -0.15 -0.76 0.41 0.00 0.00 173.24 172.59 3il6 s LEU 321 N -2.28 1.84 -0.25 2.44 1.43 -0.35 -1.69 118.68 119.82 3il6 s LEU 321 Ca 0.06 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 3il6 s LEU 321 Cb -0.06 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 3il6 s LEU 321 CO 0.02 0.11 0.04 -0.22 0.23 0.00 0.00 176.35 176.53 3il6 s LEU 322 N 0.24 3.33 0.17 1.79 2.96 -0.35 -1.01 118.68 125.81 3il6 s LEU 322 Ca -0.08 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3il6 s LEU 322 Cb -0.13 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 3il6 s LEU 322 CO 0.03 -0.05 0.02 -1.48 -1.32 0.00 0.00 176.35 173.55 3il6 s LEU 323 N 1.56 2.02 -0.33 -0.68 2.34 0.11 -0.69 118.68 123.01 3il6 s LEU 323 Ca 0.06 -1.20 -0.03 0.00 0.06 0.00 0.00 54.13 53.02 3il6 s LEU 323 Cb -0.15 0.01 0.06 0.00 -0.56 0.00 0.00 46.19 45.54 3il6 s LEU 323 CO 0.01 -0.61 0.06 0.42 -1.06 0.00 0.00 176.35 175.18 3il6 s THR 324 N -3.73 3.21 -1.62 5.48 -4.23 -0.35 0.29 115.64 114.70 3il6 s THR 324 Ca 0.25 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 3il6 s THR 324 Cb 0.06 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 71.00 3il6 s THR 324 CO 0.04 -0.23 0.40 0.18 -0.54 0.00 0.00 174.62 174.48