#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n6u n TYR 2 N 0.00 -1.75 -4.55 0.66 9.36 -1.26 -5.16 117.16 114.47 1n6u n TYR 2 Ca 0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 1n6u n TYR 2 Cb 0.00 0.49 -0.08 0.00 -0.63 0.00 0.00 39.34 39.12 1n6u n TYR 2 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1n6u s ASP 3 N -2.86 2.97 0.03 2.98 2.15 -1.26 -5.06 116.67 115.62 1n6u s ASP 3 Ca 0.00 -1.68 0.00 0.00 0.43 0.00 0.00 52.55 51.30 1n6u s ASP 3 Cb 0.00 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.14 1n6u s ASP 3 CO 0.00 -0.93 0.00 -0.24 -0.17 0.00 0.00 175.17 173.83 1n6u n SER 4 N -1.33 -0.26 -4.62 -0.34 2.88 -1.26 -5.11 113.62 103.58 1n6u n SER 4 Ca -0.08 0.44 -0.43 0.00 -1.33 0.00 0.00 58.87 57.47 1n6u n SER 4 Cb 0.65 0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 64.71 1n6u n SER 4 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n6u s PRO 5 N -1.82 3.61 0.16 -1.46 0.04 -1.26 -4.99 135.00 129.28 1n6u s PRO 5 Ca 0.00 1.74 0.11 0.00 0.04 0.00 0.00 61.00 62.88 1n6u s PRO 5 Cb 0.00 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.36 1n6u s PRO 5 CO 0.00 -1.53 -0.25 -0.51 0.04 0.00 0.00 177.00 174.76 1n6u s ASP 6 N 5.30 3.31 -0.70 6.66 1.11 -1.26 -5.10 116.67 126.00 1n6u s ASP 6 Ca 0.79 -0.81 0.01 0.00 0.18 0.00 0.00 52.55 52.72 1n6u s ASP 6 Cb -0.27 -0.23 0.17 0.00 1.07 0.00 0.00 42.92 43.66 1n6u s ASP 6 CO 0.32 0.13 0.51 -0.72 1.18 0.00 0.00 175.17 176.60 1n6u s TYR 7 N -1.44 3.53 -0.02 4.23 1.13 -1.26 -4.80 117.35 118.73 1n6u s TYR 7 Ca 0.17 -3.06 -0.00 0.00 -1.41 0.00 0.00 57.07 52.78 1n6u s TYR 7 Cb -0.09 -3.01 -0.01 0.00 -1.10 0.00 0.00 41.96 37.75 1n6u s TYR 7 CO 0.08 -0.72 -0.02 -2.37 -2.51 0.00 0.00 175.55 170.01 1n6u n THR 8 N 2.70 0.13 -0.35 -3.49 5.66 -1.26 -5.05 114.28 112.61 1n6u n THR 8 Ca 0.14 -0.05 -0.16 0.00 -3.05 0.00 0.00 64.05 60.94 1n6u n THR 8 Cb 0.36 -0.72 0.14 0.00 -1.55 0.00 0.00 70.33 68.57 1n6u n THR 8 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1n6u n ASP 9 N -2.64 -2.58 -4.56 1.09 5.68 -1.26 -3.37 116.55 108.90 1n6u n ASP 9 Ca -0.04 -0.59 -0.40 0.00 -0.50 0.00 0.00 54.79 53.25 1n6u n ASP 9 Cb 0.54 -0.52 -0.03 0.00 -1.14 0.00 0.00 41.12 39.98 1n6u n ASP 9 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1n6u s GLU 10 N -4.15 3.05 0.66 0.11 1.03 -0.31 -3.61 118.70 115.47 1n6u s GLU 10 Ca 0.35 0.33 0.43 0.00 0.03 0.00 0.00 54.97 56.11 1n6u s GLU 10 Cb -0.05 -4.23 2.34 0.00 -0.80 0.00 0.00 34.13 31.38 1n6u s GLU 10 CO 0.29 -2.26 2.34 0.77 -1.33 0.00 0.00 175.26 175.07 1n6u h SER 11 N 12.10 0.00 -5.74 0.83 0.02 -1.66 -3.44 113.55 115.65 1n6u h SER 11 Ca -0.27 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.39 1n6u h SER 11 Cb 1.10 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.46 1n6u h SER 11 CO 1.22 0.00 -0.42 0.00 -1.14 0.00 0.00 176.83 176.48 1n6u s THR 13 N -2.44 5.30 -0.29 0.00 2.01 -1.07 -4.81 115.64 114.34 1n6u s THR 13 Ca 0.39 0.19 -0.14 0.00 0.31 0.00 0.00 61.69 62.44 1n6u s THR 13 Cb -0.23 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1n6u s THR 13 CO 0.48 0.25 0.35 -0.36 -0.69 0.00 0.00 174.62 174.64 1n6u s PHE 14 N 1.77 3.23 -0.24 4.92 0.08 -1.25 0.21 117.98 126.69 1n6u s PHE 14 Ca 0.07 0.25 -0.11 0.00 0.12 0.00 0.00 56.93 57.27 1n6u s PHE 14 Cb -0.16 -2.58 -0.05 0.00 -0.57 0.00 0.00 43.02 39.66 1n6u s PHE 14 CO 0.11 -0.28 0.17 0.21 -0.10 0.00 0.00 175.22 175.33 1n6u s LYS 15 N 2.02 4.06 -0.13 0.44 2.47 0.66 -4.80 119.74 124.46 1n6u s LYS 15 Ca 0.13 -0.27 -0.02 0.00 -1.56 0.00 0.00 55.97 54.25 1n6u s LYS 15 Cb -0.16 -3.55 -0.03 0.00 -1.46 0.00 0.00 37.83 32.63 1n6u s LYS 15 CO 0.11 0.04 -0.04 -1.50 0.16 0.00 0.00 175.35 174.11 1n6u s ILE 16 N 1.12 3.87 -0.03 5.43 2.07 -1.26 0.19 121.20 132.60 1n6u s ILE 16 Ca 0.08 -0.38 0.04 0.00 -1.41 0.00 0.00 60.65 58.97 1n6u s ILE 16 Cb -0.14 -2.66 -0.00 0.00 0.13 0.00 0.00 42.46 39.79 1n6u s ILE 16 CO 0.05 0.53 -0.13 -0.44 -1.91 0.00 0.00 174.94 173.04 1n6u s SER 17 N -0.04 1.60 -0.55 4.50 0.01 0.13 -4.68 113.70 114.67 1n6u s SER 17 Ca 0.01 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 56.93 1n6u s SER 17 Cb -0.13 -0.36 0.14 0.00 0.21 0.00 0.00 66.02 65.88 1n6u s SER 17 CO 0.03 0.12 0.43 -0.22 0.41 0.00 0.00 173.24 174.01 1n6u s LEU 18 N -0.01 5.81 -0.21 2.44 2.96 0.68 -1.36 118.68 128.99 1n6u s LEU 18 Ca -0.01 -2.16 -0.09 0.00 -0.22 0.00 0.00 54.13 51.65 1n6u s LEU 18 Cb -0.08 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1n6u s LEU 18 CO 0.01 -0.64 0.12 -0.60 -1.32 0.00 0.00 176.35 173.91 1n6u s ARG 19 N 0.99 4.07 -1.51 1.98 3.00 -0.16 0.12 118.95 127.43 1n6u s ARG 19 Ca 0.09 -0.28 -0.10 0.00 -1.00 0.00 0.00 55.73 54.44 1n6u s ARG 19 Cb -0.23 -3.39 0.07 0.00 0.00 0.00 0.00 34.95 31.40 1n6u s ARG 19 CO -0.02 0.20 0.78 0.09 0.00 0.00 0.00 175.30 176.35 1n6u n ASN 20 N 3.80 -2.98 -3.75 -2.12 4.13 -1.26 0.41 115.26 113.49 1n6u n ASN 20 Ca -0.16 -0.89 -0.29 0.00 1.68 0.00 0.00 54.58 54.93 1n6u n ASN 20 Cb 0.52 -3.48 0.01 0.00 -1.54 0.00 0.00 39.78 35.29 1n6u n ASN 20 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1n6u n PHE 21 N -4.49 -2.08 -5.12 3.10 -1.74 -1.26 -4.85 117.46 101.01 1n6u n PHE 21 Ca -0.07 0.75 -0.32 0.00 -0.56 0.00 0.00 57.45 57.25 1n6u n PHE 21 Cb 0.57 -3.62 -0.16 0.00 1.52 0.00 0.00 39.48 37.80 1n6u n PHE 21 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1n6u s ARG 22 N -6.45 2.82 0.08 3.97 0.52 0.17 -4.98 118.95 115.08 1n6u s ARG 22 Ca 0.59 -0.83 -0.19 0.00 -0.52 0.00 0.00 55.73 54.77 1n6u s ARG 22 Cb -0.30 -2.31 -0.07 0.00 0.52 0.00 0.00 34.95 32.79 1n6u s ARG 22 CO 0.72 0.33 0.58 0.45 0.02 0.00 0.00 175.30 177.40 1n6u s SER 23 N -0.01 7.07 -0.19 0.23 0.15 -0.57 -0.99 113.70 119.38 1n6u s SER 23 Ca -0.07 1.27 -0.04 0.00 0.70 0.00 0.00 55.95 57.81 1n6u s SER 23 Cb -0.15 -2.36 0.10 0.00 -1.71 0.00 0.00 66.02 61.90 1n6u s SER 23 CO 0.05 0.26 0.30 -0.63 1.20 0.00 0.00 173.24 174.42 1n6u s ILE 24 N -1.14 -0.47 -0.08 6.45 1.09 -0.46 0.18 121.20 126.77 1n6u s ILE 24 Ca 0.30 0.04 -0.01 0.00 -1.10 0.00 0.00 60.65 59.88 1n6u s ILE 24 Cb -0.19 -0.65 -0.03 0.00 -1.06 0.00 0.00 42.46 40.53 1n6u s ILE 24 CO 0.19 -0.06 -0.02 -1.48 -0.10 0.00 0.00 174.94 173.48 1n6u s LEU 25 N 2.45 3.46 0.00 2.97 0.05 0.12 0.19 118.68 127.93 1n6u s LEU 25 Ca 0.06 0.09 0.01 0.00 0.05 0.00 0.00 54.13 54.35 1n6u s LEU 25 Cb -0.14 -1.78 -0.01 0.00 -2.05 0.00 0.00 46.19 42.21 1n6u s LEU 25 CO -0.12 0.37 0.05 -1.54 -0.55 0.00 0.00 176.35 174.55 1n6u n SER 26 N 2.21 2.16 -4.00 1.48 3.41 0.51 -0.60 113.62 118.79 1n6u n SER 26 Ca -0.18 -2.59 -0.08 0.00 -0.26 0.00 0.00 58.87 55.75 1n6u n SER 26 Cb 0.53 0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 64.88 1n6u n SER 26 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1n6u s TRP 27 N -2.48 0.37 -0.49 7.33 -2.14 -1.26 -0.25 118.94 120.03 1n6u s TRP 27 Ca 0.07 -0.86 0.05 0.00 2.66 0.00 0.00 56.10 58.02 1n6u s TRP 27 Cb 0.00 -0.26 0.19 0.00 -3.10 0.00 0.00 33.47 30.31 1n6u s TRP 27 CO 0.05 -0.44 0.44 0.39 -2.66 0.00 0.00 176.95 174.73 1n6u n GLU 28 N 0.10 0.80 -3.84 3.25 -0.58 0.56 -4.79 120.64 116.13 1n6u n GLU 28 Ca -0.15 -3.57 -0.36 0.00 -0.42 0.00 0.00 57.16 52.67 1n6u n GLU 28 Cb 0.61 -1.76 -0.13 0.00 -0.57 0.00 0.00 31.44 29.60 1n6u n GLU 28 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 1n6u s LEU 29 N -0.68 4.52 0.25 -4.62 -0.00 -1.26 0.39 118.68 117.28 1n6u s LEU 29 Ca 0.32 -1.58 0.04 0.00 -0.00 0.00 0.00 54.13 52.91 1n6u s LEU 29 Cb 0.06 -1.78 -0.03 0.00 -0.00 0.00 0.00 46.19 44.44 1n6u s LEU 29 CO -0.16 -0.39 0.39 -0.75 -0.00 0.00 0.00 176.35 175.44 1n6u s LYS 30 N 1.22 3.45 0.33 1.48 2.20 -1.24 -4.82 119.74 122.36 1n6u s LYS 30 Ca 0.01 -0.66 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1n6u s LYS 30 Cb -0.21 -2.85 -0.05 0.00 -1.51 0.00 0.00 37.83 33.21 1n6u s LYS 30 CO -0.02 0.38 0.09 -0.80 -0.36 0.00 0.00 175.35 174.64 1n6u s ASN 31 N -3.92 2.23 0.01 1.43 -0.87 -1.22 -1.16 114.94 111.44 1n6u s ASN 31 Ca 0.35 -1.47 0.00 0.00 -1.57 0.00 0.00 52.86 50.18 1n6u s ASN 31 Cb -0.09 0.14 0.00 0.00 -0.02 0.00 0.00 41.25 41.28 1n6u s ASN 31 CO 0.30 -0.73 0.00 1.57 -2.57 0.00 0.00 177.10 175.67 1n6u n HIS 32 N -0.70 -0.00 -0.06 2.20 -0.00 -1.26 -4.76 115.22 110.63 1n6u n HIS 32 Ca -0.03 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.07 1n6u n HIS 32 Cb 0.66 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.46 1n6u n HIS 32 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1n6u h SER 33 N 0.00 0.00 -3.18 0.26 0.02 -1.99 -3.45 113.55 105.21 1n6u h SER 33 Ca 0.00 -0.57 -0.67 0.00 -0.84 0.00 0.00 61.79 59.71 1n6u h SER 33 Cb 0.00 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.21 1n6u h SER 33 CO 0.00 0.79 -0.82 0.27 -1.14 0.00 0.00 176.83 175.93 1n6u s ILE 34 N -1.94 2.47 -0.17 3.27 -0.00 -1.26 -5.11 121.20 118.46 1n6u s ILE 34 Ca -0.11 -0.81 -0.06 0.00 -0.00 0.00 0.00 60.65 59.68 1n6u s ILE 34 Cb -0.02 -2.06 -0.03 0.00 -0.00 0.00 0.00 42.46 40.35 1n6u s ILE 34 CO 0.40 0.51 0.01 0.54 -0.00 0.00 0.00 174.94 176.40 1n6u s VAL 35 N 1.25 4.30 1.09 8.37 0.11 -1.26 -4.76 120.40 129.51 1n6u s VAL 35 Ca 0.03 -0.21 -0.18 0.00 -2.93 0.00 0.00 61.98 58.70 1n6u s VAL 35 Cb -0.14 -2.92 0.25 0.00 -1.53 0.00 0.00 36.38 32.04 1n6u s VAL 35 CO -0.08 0.47 1.23 -2.16 -3.33 0.00 0.00 175.10 171.22 1n6u s PRO 36 N 0.46 -0.38 0.19 1.54 0.04 -1.26 -4.87 135.00 130.72 1n6u s PRO 36 Ca -0.00 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.74 1n6u s PRO 36 Cb -0.13 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1n6u s PRO 36 CO 0.02 -3.12 0.00 -2.37 0.04 0.00 0.00 177.00 171.57 1n6u n THR 37 N -4.29 0.61 -3.43 1.26 5.66 -1.26 -4.93 114.28 107.90 1n6u n THR 37 Ca 0.15 0.20 -0.34 0.00 -3.05 0.00 0.00 64.05 61.01 1n6u n THR 37 Cb 0.59 -1.04 -0.06 0.00 -1.55 0.00 0.00 70.33 68.28 1n6u n THR 37 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1n6u s HIS 38 N -1.98 3.53 0.33 1.09 -3.43 -1.25 -4.17 115.29 109.41 1n6u s HIS 38 Ca 0.00 0.92 0.03 0.00 -0.80 0.00 0.00 55.06 55.22 1n6u s HIS 38 Cb 0.00 -2.28 -0.04 0.00 -1.43 0.00 0.00 32.58 28.83 1n6u s HIS 38 CO 0.00 0.38 0.10 0.71 -2.00 0.00 0.00 174.74 173.93 1n6u s TYR 39 N -1.60 1.76 -0.32 0.38 2.02 0.19 -3.68 117.35 116.11 1n6u s TYR 39 Ca 0.41 -1.17 -0.02 0.00 -0.37 0.00 0.00 57.07 55.92 1n6u s TYR 39 Cb -0.13 -1.10 0.12 0.00 -0.40 0.00 0.00 41.96 40.45 1n6u s TYR 39 CO 0.20 -0.24 0.17 0.99 -1.57 0.00 0.00 175.55 175.10 1n6u s THR 40 N -3.41 0.01 -0.39 -0.71 2.01 -0.49 0.18 115.64 112.83 1n6u s THR 40 Ca 0.33 -1.18 -0.28 0.00 0.31 0.00 0.00 61.69 60.86 1n6u s THR 40 Cb 0.06 -1.03 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 1n6u s THR 40 CO 0.15 -0.84 1.61 -0.22 -0.69 0.00 0.00 174.62 174.64 1n6u s LEU 41 N 1.63 3.52 -0.05 4.42 0.20 0.25 -1.57 118.68 127.09 1n6u s LEU 41 Ca 0.13 1.00 0.00 0.00 0.69 0.00 0.00 54.13 55.96 1n6u s LEU 41 Cb -0.19 -3.46 -0.03 0.00 -0.43 0.00 0.00 46.19 42.08 1n6u s LEU 41 CO -0.19 -1.62 -0.02 -0.76 -0.29 0.00 0.00 176.35 173.47 1n6u s LEU 42 N 6.31 3.41 0.03 -0.68 1.43 -0.67 -2.32 118.68 126.19 1n6u s LEU 42 Ca 0.70 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1n6u s LEU 42 Cb -0.18 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1n6u s LEU 42 CO 0.32 0.34 0.03 -0.72 0.23 0.00 0.00 176.35 176.55 1n6u s TYR 43 N -0.93 0.28 0.24 0.29 -0.85 -0.39 0.91 117.35 116.90 1n6u s TYR 43 Ca 0.15 -0.61 -0.05 0.00 -0.52 0.00 0.00 57.07 56.04 1n6u s TYR 43 Cb -0.11 -0.20 0.02 0.00 0.38 0.00 0.00 41.96 42.04 1n6u s TYR 43 CO 0.05 -0.31 0.40 -2.37 -1.52 0.00 0.00 175.55 171.80 1n6u n THR 44 N 0.91 0.00 -5.05 -3.49 5.66 0.46 0.84 114.28 113.60 1n6u n THR 44 Ca -0.20 -0.96 -0.32 0.00 -3.05 0.00 0.00 64.05 59.52 1n6u n THR 44 Cb 0.58 0.69 -0.16 0.00 -1.55 0.00 0.00 70.33 69.89 1n6u n THR 44 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1n6u s ILE 45 N -2.58 2.44 0.29 1.09 -4.36 -1.22 0.60 121.20 117.47 1n6u s ILE 45 Ca 0.16 -0.88 0.05 0.00 -0.26 0.00 0.00 60.65 59.71 1n6u s ILE 45 Cb -0.02 -1.97 0.37 0.00 1.25 0.00 0.00 42.46 42.10 1n6u s ILE 45 CO 0.11 0.55 1.43 1.15 0.24 0.00 0.00 174.94 178.42 1n6u n MET 46 N 3.49 -0.07 0.21 0.37 -0.00 -0.53 0.20 117.12 120.80 1n6u n MET 46 Ca -0.19 1.34 0.05 0.00 -0.00 0.00 0.00 57.70 58.91 1n6u n MET 46 Cb 0.53 -2.18 0.48 0.00 -0.00 0.00 0.00 33.22 32.05 1n6u n MET 46 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1n6u h SER 47 N 0.00 0.01 -2.37 3.17 0.87 -1.96 -3.30 113.55 109.98 1n6u h SER 47 Ca 0.59 -0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 60.55 1n6u h SER 47 Cb 1.28 -0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.84 1n6u h SER 47 CO -0.83 0.21 -0.87 0.29 -0.53 0.00 0.00 176.83 175.11 1n6u n LYS 48 N -4.30 1.10 0.00 2.24 4.76 0.54 -4.93 118.16 117.57 1n6u n LYS 48 Ca -0.02 -3.72 0.08 0.00 -2.87 0.00 0.00 58.31 51.78 1n6u n LYS 48 Cb 0.26 -1.77 0.38 0.00 -1.84 0.00 0.00 35.03 32.07 1n6u n LYS 48 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1n6u n PRO 49 N 1.88 0.07 -0.00 1.97 -0.04 -0.76 -2.29 135.00 135.83 1n6u n PRO 49 Ca 0.25 0.19 0.14 0.00 -0.04 0.00 0.00 63.50 64.04 1n6u n PRO 49 Cb 0.46 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.03 1n6u n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n6u n GLU 50 N -1.43 1.51 -2.68 0.54 -0.58 -1.26 -4.22 120.64 112.52 1n6u n GLU 50 Ca 0.05 -0.75 -0.32 0.00 -0.42 0.00 0.00 57.16 55.73 1n6u n GLU 50 Cb 0.18 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.56 1n6u n GLU 50 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1n6u n ASP 51 N -0.09 5.59 -4.80 1.62 2.03 -0.97 -5.05 116.55 114.88 1n6u n ASP 51 Ca 0.20 -3.71 -0.37 0.00 0.52 0.00 0.00 54.79 51.43 1n6u n ASP 51 Cb 0.30 -0.75 -0.06 0.00 -0.72 0.00 0.00 41.12 39.88 1n6u n ASP 51 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1n6u s LEU 52 N -3.77 4.42 -0.07 -2.67 1.43 -1.25 -4.37 118.68 112.39 1n6u s LEU 52 Ca 0.47 1.56 0.02 0.00 -1.03 0.00 0.00 54.13 55.14 1n6u s LEU 52 Cb 0.30 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.96 1n6u s LEU 52 CO -0.18 0.07 -0.10 -0.75 0.23 0.00 0.00 176.35 175.63 1n6u s LYS 53 N -1.74 1.48 -0.79 1.70 2.20 0.25 -4.84 119.74 117.99 1n6u s LYS 53 Ca 0.42 -0.32 -0.25 0.00 -0.36 0.00 0.00 55.97 55.46 1n6u s LYS 53 Cb -0.19 -1.30 0.05 0.00 -1.51 0.00 0.00 37.83 34.88 1n6u s LYS 53 CO 0.23 -0.04 1.23 0.14 -0.36 0.00 0.00 175.35 176.55 1n6u s VAL 54 N 0.86 3.97 0.34 4.02 -7.23 -1.26 -1.26 120.40 119.84 1n6u s VAL 54 Ca -0.11 -0.15 -0.27 0.00 -1.81 0.00 0.00 61.98 59.64 1n6u s VAL 54 Cb -0.15 -4.89 -0.13 0.00 0.56 0.00 0.00 36.38 31.78 1n6u s VAL 54 CO 0.01 -1.76 1.04 0.52 -0.31 0.00 0.00 175.10 174.60 1n6u n VAL 55 N 6.32 2.11 -1.74 1.32 0.31 -0.98 -4.77 118.33 120.90 1n6u n VAL 55 Ca 0.09 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.50 1n6u n VAL 55 Cb 0.49 -1.12 -0.02 0.00 -0.91 0.00 0.00 33.84 32.27 1n6u n VAL 55 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1n6u s LYS 56 N -1.73 4.11 0.00 5.55 -2.85 -1.26 -0.92 119.74 122.64 1n6u s LYS 56 Ca 0.59 2.61 0.00 0.00 -1.00 0.00 0.00 55.97 58.18 1n6u s LYS 56 Cb -0.64 -3.04 0.00 0.00 -2.06 0.00 0.00 37.83 32.09 1n6u s LYS 56 CO 0.59 -0.70 0.00 -1.71 0.10 0.00 0.00 175.35 173.63 1n6u n ASN 57 N 3.00 0.00 -0.44 0.03 4.05 -1.26 -4.76 115.26 115.88 1n6u n ASN 57 Ca 0.12 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.22 1n6u n ASN 57 Cb 0.36 -0.26 0.03 0.00 1.23 0.00 0.00 39.78 41.14 1n6u n ASN 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1n6u s ALA 59 N -1.44 3.51 0.00 0.00 0.00 -1.09 -0.58 121.76 122.14 1n6u s ALA 59 Ca 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1n6u s ALA 59 Cb 0.11 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1n6u s ALA 59 CO 0.26 -0.06 0.00 0.27 0.00 0.00 0.00 175.76 176.23 1n6u n ASN 60 N -1.62 0.00 -4.14 0.00 6.94 0.47 -4.74 115.26 112.17 1n6u n ASN 60 Ca -0.01 0.00 -0.26 0.00 -0.02 0.00 0.00 54.58 54.30 1n6u n ASN 60 Cb 0.55 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.81 1n6u n ASN 60 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1n6u s THR 61 N -0.30 1.40 -1.06 5.53 -1.32 0.45 -4.72 115.64 115.62 1n6u s THR 61 Ca 0.00 -0.72 -0.02 0.00 -1.21 0.00 0.00 61.69 59.74 1n6u s THR 61 Cb 0.00 -1.20 0.28 0.00 -1.51 0.00 0.00 72.50 70.07 1n6u s THR 61 CO 0.00 0.40 1.98 0.35 -2.21 0.00 0.00 174.62 175.14 1n6u n THR 62 N 3.02 5.70 -4.23 5.08 -2.24 -1.26 0.57 114.28 120.92 1n6u n THR 62 Ca -0.17 -5.46 -0.17 0.00 -2.27 0.00 0.00 64.05 55.98 1n6u n THR 62 Cb 0.53 -1.64 -0.08 0.00 -2.10 0.00 0.00 70.33 67.05 1n6u n THR 62 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1n6u s ARG 63 N -3.61 1.69 0.01 -0.78 1.81 -1.26 -4.95 118.95 111.85 1n6u s ARG 63 Ca 0.44 -1.89 -0.00 0.00 -1.72 0.00 0.00 55.73 52.55 1n6u s ARG 63 Cb 0.21 0.34 -0.00 0.00 -0.45 0.00 0.00 34.95 35.05 1n6u s ARG 63 CO -0.15 -0.63 -0.01 -1.13 -0.68 0.00 0.00 175.30 172.71 1n6u n SER 64 N -1.28 0.13 -4.65 0.23 3.41 -1.26 -4.62 113.62 105.57 1n6u n SER 64 Ca 0.05 0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.25 1n6u n SER 64 Cb 0.63 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1n6u n SER 64 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1n6u s PHE 65 N -1.12 3.09 0.10 7.33 -0.71 -1.26 -4.18 117.98 121.23 1n6u s PHE 65 Ca -0.00 1.21 -0.00 0.00 -1.04 0.00 0.00 56.93 57.10 1n6u s PHE 65 Cb 0.00 -3.50 -0.04 0.00 -1.21 0.00 0.00 43.02 38.26 1n6u s PHE 65 CO 0.01 -1.02 0.27 0.00 -1.34 0.00 0.00 175.22 173.14 1n6u s ASP 67 N -2.68 5.54 -0.35 0.00 1.47 -1.26 -0.70 116.67 118.68 1n6u s ASP 67 Ca 0.36 -0.45 -0.04 0.00 1.18 0.00 0.00 52.55 53.61 1n6u s ASP 67 Cb -0.12 -0.83 0.19 0.00 -0.34 0.00 0.00 42.92 41.81 1n6u s ASP 67 CO 0.28 -0.59 0.92 -1.48 0.68 0.00 0.00 175.17 174.97 1n6u s LEU 68 N -4.20 -0.71 -0.17 2.11 2.34 0.48 -4.79 118.68 113.74 1n6u s LEU 68 Ca 0.49 -0.38 -0.25 0.00 0.06 0.00 0.00 54.13 54.05 1n6u s LEU 68 Cb -0.08 0.91 -0.23 0.00 -0.56 0.00 0.00 46.19 46.24 1n6u s LEU 68 CO 0.30 -0.08 0.48 0.74 -1.06 0.00 0.00 176.35 176.74 1n6u h THR 69 N 3.90 1.31 -0.35 5.48 2.02 -1.89 -1.52 112.91 121.87 1n6u h THR 69 Ca -0.01 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1n6u h THR 69 Cb 1.21 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 1n6u h THR 69 CO -0.02 0.47 0.00 -0.67 0.37 0.00 0.00 175.52 175.67 1n6u n ASP 70 N -4.48 3.46 0.07 4.18 -0.08 -1.26 -4.36 116.55 114.08 1n6u n ASP 70 Ca -0.22 -2.39 0.10 0.00 -1.51 0.00 0.00 54.79 50.77 1n6u n ASP 70 Cb 0.61 -0.38 -0.04 0.00 2.34 0.00 0.00 41.12 43.65 1n6u n ASP 70 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1n6u n GLU 71 N 0.24 0.62 -2.50 -0.67 4.71 -1.26 -4.28 120.64 117.50 1n6u n GLU 71 Ca 0.17 0.07 -0.27 0.00 -0.01 0.00 0.00 57.16 57.12 1n6u n GLU 71 Cb 0.64 -1.76 -0.00 0.00 -1.01 0.00 0.00 31.44 29.30 1n6u n GLU 71 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1n6u n TRP 72 N -2.62 3.38 0.25 -0.32 7.02 -1.26 -4.81 117.44 119.08 1n6u n TRP 72 Ca -0.02 -3.14 0.10 0.00 -1.02 0.00 0.00 57.50 53.42 1n6u n TRP 72 Cb 0.59 -0.10 0.48 0.00 -2.42 0.00 0.00 31.31 29.86 1n6u n TRP 72 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 1n6u n ARG 73 N -0.46 0.14 -1.16 -0.99 0.63 -1.26 -3.36 116.66 110.19 1n6u n ARG 73 Ca 0.38 0.53 -0.19 0.00 -0.92 0.00 0.00 57.85 57.64 1n6u n ARG 73 Cb 0.66 -1.85 -0.13 0.00 0.45 0.00 0.00 32.46 31.59 1n6u n ARG 73 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1n6u n SER 74 N -2.13 6.07 -0.26 6.15 7.64 -1.26 -4.59 113.62 125.24 1n6u n SER 74 Ca 0.00 -2.63 0.03 0.00 1.01 0.00 0.00 58.87 57.28 1n6u n SER 74 Cb 0.11 -1.41 0.16 0.00 -1.01 0.00 0.00 64.21 62.05 1n6u n SER 74 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1n6u h THR 75 N 2.17 0.82 0.00 0.44 1.35 -1.82 0.41 112.91 116.29 1n6u h THR 75 Ca 0.34 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1n6u h THR 75 Cb 1.16 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1n6u h THR 75 CO 0.61 0.11 0.01 -0.74 -0.25 0.00 0.00 175.52 175.26 1n6u h HIS 76 N 0.62 0.00 -1.90 4.73 6.17 -1.86 0.13 115.15 123.04 1n6u h HIS 76 Ca 0.38 0.00 -0.43 0.00 0.71 0.00 0.00 60.37 61.03 1n6u h HIS 76 Cb 0.43 0.00 0.03 0.00 2.52 0.00 0.00 27.41 30.39 1n6u h HIS 76 CO -0.10 0.00 -0.16 -1.21 0.71 0.00 0.00 177.93 177.16 1n6u s GLU 77 N -4.11 2.70 -0.66 5.26 0.41 0.14 -4.74 118.70 117.71 1n6u s GLU 77 Ca -0.05 -1.05 -0.14 0.00 -0.41 0.00 0.00 54.97 53.33 1n6u s GLU 77 Cb 0.12 -2.64 0.17 0.00 -1.78 0.00 0.00 34.13 30.00 1n6u s GLU 77 CO 0.39 -0.47 0.60 0.00 -0.49 0.00 0.00 175.26 175.30 1n6u s ALA 78 N -2.53 3.82 -0.78 5.21 0.00 -1.26 -4.00 121.76 122.21 1n6u s ALA 78 Ca 0.56 -2.91 -0.26 0.00 0.00 0.00 0.00 51.96 49.35 1n6u s ALA 78 Cb -0.10 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 1n6u s ALA 78 CO 0.35 -2.13 2.36 0.71 0.00 0.00 0.00 175.76 177.06 1n6u s TYR 79 N 0.89 1.20 0.12 0.00 1.51 0.11 -1.45 117.35 119.71 1n6u s TYR 79 Ca 0.10 1.84 -0.31 0.00 -1.01 0.00 0.00 57.07 57.69 1n6u s TYR 79 Cb -0.21 -3.50 -0.08 0.00 -0.11 0.00 0.00 41.96 38.06 1n6u s TYR 79 CO -0.03 -1.64 1.41 0.14 -1.11 0.00 0.00 175.55 174.32 1n6u s VAL 80 N 14.20 3.23 0.04 0.71 -7.23 0.20 -2.04 120.40 129.52 1n6u s VAL 80 Ca 0.91 0.87 0.07 0.00 -1.81 0.00 0.00 61.98 62.02 1n6u s VAL 80 Cb -0.13 -3.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.23 1n6u s VAL 80 CO 0.08 0.07 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.86 1n6u s THR 81 N 1.15 1.51 -0.34 5.32 2.01 0.06 0.17 115.64 125.51 1n6u s THR 81 Ca 0.65 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1n6u s THR 81 Cb -0.38 -1.32 0.11 0.00 0.01 0.00 0.00 72.50 70.92 1n6u s THR 81 CO 0.30 0.14 0.11 -0.69 -0.69 0.00 0.00 174.62 173.79 1n6u s VAL 82 N -0.83 1.36 -0.49 3.82 1.01 0.26 -0.25 120.40 125.28 1n6u s VAL 82 Ca 0.06 -1.88 -0.22 0.00 0.00 0.00 0.00 61.98 59.94 1n6u s VAL 82 Cb -0.09 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1n6u s VAL 82 CO 0.02 -0.70 0.75 -0.22 0.00 0.00 0.00 175.10 174.95 1n6u s LEU 83 N 1.18 4.48 -0.33 3.92 2.96 0.20 -1.67 118.68 129.42 1n6u s LEU 83 Ca 0.12 -0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 53.42 1n6u s LEU 83 Cb -0.19 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.76 1n6u s LEU 83 CO -0.16 -0.97 0.27 -1.61 -1.32 0.00 0.00 176.35 172.56 1n6u s GLU 84 N 3.18 3.59 -0.22 1.98 2.02 -0.61 -1.99 118.70 126.64 1n6u s GLU 84 Ca 0.24 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.66 1n6u s GLU 84 Cb -0.15 -3.78 -0.01 0.00 0.10 0.00 0.00 34.13 30.28 1n6u s GLU 84 CO 0.18 -0.43 -0.02 0.20 0.02 0.00 0.00 175.26 175.21 1n6u s GLY 85 N 1.73 1.65 -0.14 -1.39 0.00 -0.44 -1.40 107.32 107.33 1n6u s GLY 85 Ca 0.08 -1.12 -0.15 0.00 0.00 0.00 0.00 44.72 43.53 1n6u s GLY 85 CO 0.11 0.40 0.34 -1.36 0.00 0.00 0.00 173.10 172.59 1n6u s PHE 86 N 1.39 3.49 -0.75 1.90 0.40 -1.24 -1.50 117.98 121.66 1n6u s PHE 86 Ca 0.05 0.69 -0.27 0.00 -0.60 0.00 0.00 56.93 56.80 1n6u s PHE 86 Cb -0.14 -2.39 0.03 0.00 0.51 0.00 0.00 43.02 41.02 1n6u s PHE 86 CO -0.01 0.24 1.32 0.45 0.70 0.00 0.00 175.22 177.93 1n6u s SER 87 N 0.42 6.12 0.05 1.36 0.15 0.63 -4.36 113.70 118.08 1n6u s SER 87 Ca 0.19 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1n6u s SER 87 Cb -0.14 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1n6u s SER 87 CO 0.06 -1.86 0.00 0.61 1.20 0.00 0.00 173.24 173.25 1n6u n GLY 88 N 5.48 1.91 0.00 9.45 0.00 -1.26 -2.45 105.19 118.32 1n6u n GLY 88 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1n6u n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n6u n ASN 89 N 6.08 0.35 -4.65 1.61 3.02 -1.26 -4.84 115.26 115.56 1n6u n ASN 89 Ca 0.00 -0.67 -0.29 0.00 -0.03 0.00 0.00 54.58 53.59 1n6u n ASN 89 Cb 0.00 0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 39.69 1n6u n ASN 89 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1n6u s THR 90 N -0.61 3.76 -0.06 3.41 2.01 -1.03 -5.08 115.64 118.05 1n6u s THR 90 Ca 0.00 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 1n6u s THR 90 Cb 0.00 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 1n6u s THR 90 CO 0.00 0.06 1.24 -0.89 -0.69 0.00 0.00 174.62 174.34 1n6u s THR 91 N -1.38 4.18 -0.04 -0.82 2.01 -1.26 0.23 115.64 118.55 1n6u s THR 91 Ca 0.25 1.50 0.10 0.00 0.31 0.00 0.00 61.69 63.85 1n6u s THR 91 Cb -0.11 -3.97 -0.15 0.00 0.01 0.00 0.00 72.50 68.28 1n6u s THR 91 CO 0.17 -0.02 0.18 -0.11 -0.69 0.00 0.00 174.62 174.15 1n6u n LEU 92 N 5.39 0.00 -3.63 4.42 7.94 -0.90 -4.71 117.00 125.52 1n6u n LEU 92 Ca 0.12 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.98 1n6u n LEU 92 Cb 0.46 0.07 -0.01 0.00 0.53 0.00 0.00 43.42 44.46 1n6u n LEU 92 CO 0.56 0.07 0.86 0.72 -1.11 0.00 0.00 177.39 178.48 1n6u s PHE 93 N -2.61 -0.16 -0.26 1.96 -0.71 -0.56 -4.97 117.98 110.67 1n6u s PHE 93 Ca -0.04 0.00 -0.01 0.00 -1.04 0.00 0.00 56.93 55.84 1n6u s PHE 93 Cb 0.06 0.57 0.15 0.00 -1.21 0.00 0.00 43.02 42.58 1n6u s PHE 93 CO 0.44 -0.49 0.43 -1.12 -1.34 0.00 0.00 175.22 173.13 1n6u s SER 94 N -2.68 -0.04 0.01 1.98 0.01 -1.26 -1.32 113.70 110.39 1n6u s SER 94 Ca 0.10 0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.63 1n6u s SER 94 Cb 0.00 1.31 -0.02 0.00 0.21 0.00 0.00 66.02 67.52 1n6u s SER 94 CO -0.04 -0.31 -0.23 0.00 0.41 0.00 0.00 173.24 173.08 1n6u s SER 96 N -0.86 3.03 -0.29 0.00 0.01 -1.25 0.61 113.70 114.95 1n6u s SER 96 Ca 0.09 -1.40 -0.23 0.00 1.31 0.00 0.00 55.95 55.71 1n6u s SER 96 Cb -0.09 -0.14 0.14 0.00 0.21 0.00 0.00 66.02 66.14 1n6u s SER 96 CO 0.01 -0.58 1.07 -2.28 0.41 0.00 0.00 173.24 171.86 1n6u s HIS 97 N -3.06 -0.44 -0.87 2.43 5.04 0.65 -4.95 115.29 114.09 1n6u s HIS 97 Ca 0.34 1.03 -0.23 0.00 -1.54 0.00 0.00 55.06 54.66 1n6u s HIS 97 Cb 0.09 0.37 0.06 0.00 0.04 0.00 0.00 32.58 33.14 1n6u s HIS 97 CO 0.16 -0.22 1.26 -0.80 -2.34 0.00 0.00 174.74 172.80 1n6u s ASN 98 N 0.44 6.38 -0.24 9.88 0.01 -1.26 -0.76 114.94 129.40 1n6u s ASN 98 Ca 0.01 -1.24 -0.29 0.00 -0.71 0.00 0.00 52.86 50.63 1n6u s ASN 98 Cb -0.05 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 1n6u s ASN 98 CO -0.09 -1.49 1.61 -0.36 -1.51 0.00 0.00 177.10 175.26 1n6u s PHE 99 N 4.55 2.11 -1.10 2.20 0.40 -0.86 -4.87 117.98 120.41 1n6u s PHE 99 Ca 0.36 0.56 -0.12 0.00 -0.60 0.00 0.00 56.93 57.14 1n6u s PHE 99 Cb -0.06 -4.00 0.22 0.00 0.51 0.00 0.00 43.02 39.69 1n6u s PHE 99 CO -0.00 -2.87 1.20 -0.46 0.70 0.00 0.00 175.22 173.79 1n6u s TRP 100 N 5.29 3.82 0.00 0.36 -0.00 -1.26 0.04 118.94 127.19 1n6u s TRP 100 Ca 0.71 -2.29 -0.14 0.00 -0.00 0.00 0.00 56.10 54.38 1n6u s TRP 100 Cb -0.24 -4.06 -0.07 0.00 -0.00 0.00 0.00 33.47 29.09 1n6u s TRP 100 CO 0.29 -1.17 0.87 -0.07 -0.00 0.00 0.00 176.95 176.87 1n6u h LEU 101 N 8.29 -0.41 -1.82 5.86 3.38 -1.76 1.61 115.31 130.46 1n6u h LEU 101 Ca 0.22 0.01 0.54 0.00 0.09 0.00 0.00 57.88 58.74 1n6u h LEU 101 Cb 0.90 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 1n6u h LEU 101 CO 1.08 -0.20 1.25 0.00 0.09 0.00 0.00 178.44 180.65 1n6u h ALA 102 N -1.60 3.54 0.00 1.53 0.00 -0.91 1.15 119.26 122.97 1n6u h ALA 102 Ca -0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1n6u h ALA 102 Cb 0.37 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1n6u h ALA 102 CO 0.08 -2.13 -2.06 -0.89 0.00 0.00 0.00 179.25 174.25 1n6u n ILE 103 N -4.18 0.54 -0.11 0.00 -0.00 -1.16 -4.74 119.36 109.71 1n6u n ILE 103 Ca 0.43 -0.59 -0.22 0.00 -0.00 0.00 0.00 62.75 62.37 1n6u n ILE 103 Cb 1.86 -0.19 -0.07 0.00 -0.00 0.00 0.00 39.64 41.23 1n6u n ILE 103 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1n6u n ASP 104 N -2.40 1.62 -1.23 4.38 -0.08 0.55 -4.69 116.55 114.70 1n6u n ASP 104 Ca -0.15 0.28 -0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1n6u n ASP 104 Cb 0.76 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1n6u n ASP 104 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 1n6u n MET 105 N -4.06 -0.07 -3.11 -0.67 1.56 0.34 -4.82 117.12 106.30 1n6u n MET 105 Ca -0.39 0.21 -0.43 0.00 -0.27 0.00 0.00 57.70 56.81 1n6u n MET 105 Cb 0.75 -0.27 -0.06 0.00 2.15 0.00 0.00 33.22 35.80 1n6u n MET 105 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1n6u s SER 106 N -0.27 6.25 -0.41 6.12 1.04 -1.26 -4.94 113.70 120.23 1n6u s SER 106 Ca 0.00 -0.77 -0.25 0.00 0.48 0.00 0.00 55.95 55.42 1n6u s SER 106 Cb -0.00 -2.31 0.02 0.00 0.10 0.00 0.00 66.02 63.82 1n6u s SER 106 CO 0.00 -0.93 0.87 -0.36 0.98 0.00 0.00 173.24 173.80 1n6u s PHE 107 N 2.84 3.02 0.50 5.02 0.40 -1.25 0.25 117.98 128.75 1n6u s PHE 107 Ca 0.18 0.49 -0.23 0.00 -0.60 0.00 0.00 56.93 56.77 1n6u s PHE 107 Cb -0.18 -3.69 -0.06 0.00 0.51 0.00 0.00 43.02 39.60 1n6u s PHE 107 CO 0.14 -0.92 1.36 -1.21 0.70 0.00 0.00 175.22 175.29 1n6u s GLU 108 N 3.44 3.43 -0.75 0.44 2.02 0.33 -4.79 118.70 122.81 1n6u s GLU 108 Ca 0.35 2.25 -0.30 0.00 0.02 0.00 0.00 54.97 57.29 1n6u s GLU 108 Cb -0.12 -2.44 -0.16 0.00 0.10 0.00 0.00 34.13 31.52 1n6u s GLU 108 CO 0.21 -0.97 2.54 -2.30 0.02 0.00 0.00 175.26 174.77 1n6u n PRO 109 N -0.63 0.44 0.00 0.39 -0.02 -1.26 -4.68 135.00 129.24 1n6u n PRO 109 Ca 0.08 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1n6u n PRO 109 Cb 0.44 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1n6u n PRO 109 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n6u n PRO 110 N 8.60 0.35 -2.69 0.52 -0.02 -1.26 -4.87 135.00 135.63 1n6u n PRO 110 Ca 0.54 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1n6u n PRO 110 Cb 0.22 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.71 1n6u n PRO 110 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1n6u n GLU 111 N -0.45 4.65 -3.82 -0.52 2.13 -1.11 -4.93 120.64 116.59 1n6u n GLU 111 Ca 0.00 -4.32 -0.32 0.00 0.66 0.00 0.00 57.16 53.18 1n6u n GLU 111 Cb 0.00 -2.57 -0.04 0.00 0.27 0.00 0.00 31.44 29.09 1n6u n GLU 111 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1n6u s PHE 112 N -2.59 3.51 0.20 4.31 -0.12 -1.26 -2.05 117.98 119.99 1n6u s PHE 112 Ca 0.37 0.39 -0.06 0.00 -0.05 0.00 0.00 56.93 57.59 1n6u s PHE 112 Cb 0.11 -1.87 -0.03 0.00 -0.63 0.00 0.00 43.02 40.60 1n6u s PHE 112 CO 0.01 0.54 0.25 -1.21 -0.05 0.00 0.00 175.22 174.75 1n6u s GLU 113 N -2.46 1.28 -0.22 1.99 2.02 0.87 -4.94 118.70 117.23 1n6u s GLU 113 Ca 0.36 -1.44 -0.04 0.00 0.02 0.00 0.00 54.97 53.87 1n6u s GLU 113 Cb -0.13 0.34 0.12 0.00 0.10 0.00 0.00 34.13 34.56 1n6u s GLU 113 CO 0.25 -0.46 0.35 0.96 0.02 0.00 0.00 175.26 176.39 1n6u s ILE 114 N -4.08 -0.56 -0.17 -1.63 -4.36 -1.26 0.02 121.20 109.16 1n6u s ILE 114 Ca 0.30 -0.01 -0.07 0.00 -0.26 0.00 0.00 60.65 60.62 1n6u s ILE 114 Cb 0.04 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 42.97 1n6u s ILE 114 CO 0.09 -0.08 0.07 -0.69 0.24 0.00 0.00 174.94 174.57 1n6u s VAL 115 N 2.52 4.86 -0.17 8.37 1.01 0.23 -4.60 120.40 132.62 1n6u s VAL 115 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 1n6u s VAL 115 Cb -0.15 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1n6u s VAL 115 CO -0.14 0.49 0.02 -0.83 0.00 0.00 0.00 175.10 174.65 1n6u s GLY 116 N 0.07 1.84 0.18 4.51 0.00 -1.26 0.16 107.32 112.82 1n6u s GLY 116 Ca 0.06 -0.77 -0.14 0.00 0.00 0.00 0.00 44.72 43.87 1n6u s GLY 116 CO 0.01 -0.01 0.57 -1.36 0.00 0.00 0.00 173.10 172.31 1n6u s PHE 117 N 0.33 3.56 0.49 1.90 0.40 0.29 -4.53 117.98 120.42 1n6u s PHE 117 Ca 0.01 1.06 0.44 0.00 -0.60 0.00 0.00 56.93 57.84 1n6u s PHE 117 Cb -0.13 -2.38 1.53 0.00 0.51 0.00 0.00 43.02 42.55 1n6u s PHE 117 CO 0.01 0.37 1.38 2.41 0.70 0.00 0.00 175.22 180.09 1n6u n THR 118 N 0.56 -0.01 0.00 0.64 -1.04 -1.26 -1.11 114.28 112.06 1n6u n THR 118 Ca -0.04 1.32 0.00 0.00 -2.04 0.00 0.00 64.05 63.30 1n6u n THR 118 Cb 0.52 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 1n6u n THR 118 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1n6u n ASN 119 N -3.72 4.80 -4.57 8.00 4.05 -1.26 -4.47 115.26 118.09 1n6u n ASN 119 Ca 0.39 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 55.12 1n6u n ASN 119 Cb 1.78 0.65 -0.06 0.00 1.23 0.00 0.00 39.78 43.38 1n6u n ASN 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1n6u n HIS 120 N -1.76 0.91 -4.86 1.20 1.44 -0.27 -1.13 115.22 110.75 1n6u n HIS 120 Ca 0.00 -2.36 -0.27 0.00 -2.01 0.00 0.00 57.72 53.08 1n6u n HIS 120 Cb 0.31 -0.33 -0.16 0.00 0.12 0.00 0.00 29.99 29.92 1n6u n HIS 120 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1n6u s ILE 121 N -2.73 1.48 -0.49 0.61 1.01 0.23 0.11 121.20 121.42 1n6u s ILE 121 Ca 0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1n6u s ILE 121 Cb -0.00 -1.29 0.13 0.00 0.01 0.00 0.00 42.46 41.31 1n6u s ILE 121 CO 0.02 0.43 0.28 0.20 0.00 0.00 0.00 174.94 175.87 1n6u s ASN 122 N 0.19 5.12 -0.31 3.58 0.02 0.42 -1.45 114.94 122.52 1n6u s ASN 122 Ca -0.08 -2.44 -0.12 0.00 -1.02 0.00 0.00 52.86 49.20 1n6u s ASN 122 Cb -0.13 -1.80 -0.03 0.00 0.02 0.00 0.00 41.25 39.30 1n6u s ASN 122 CO 0.03 -0.44 0.23 -0.69 0.02 0.00 0.00 177.10 176.25 1n6u s VAL 123 N 0.54 5.29 -0.26 1.60 1.01 0.27 0.77 120.40 129.62 1n6u s VAL 123 Ca 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 1n6u s VAL 123 Cb -0.22 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1n6u s VAL 123 CO -0.04 0.13 -0.06 -0.32 0.00 0.00 0.00 175.10 174.80 1n6u s MET 124 N 1.77 2.60 -0.36 2.72 1.75 0.10 0.18 119.30 128.07 1n6u s MET 124 Ca 0.07 -1.13 -0.14 0.00 -1.25 0.00 0.00 55.69 53.24 1n6u s MET 124 Cb -0.17 -2.99 -0.01 0.00 2.84 0.00 0.00 34.83 34.50 1n6u s MET 124 CO 0.11 -0.49 0.29 0.08 -0.65 0.00 0.00 175.02 174.36 1n6u s VAL 125 N 1.25 5.25 -0.85 10.11 1.01 -0.65 -0.09 120.40 136.43 1n6u s VAL 125 Ca -0.03 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1n6u s VAL 125 Cb -0.18 -3.80 0.15 0.00 0.00 0.00 0.00 36.38 32.55 1n6u s VAL 125 CO -0.04 -0.11 0.98 -0.54 0.00 0.00 0.00 175.10 175.39 1n6u s LYS 126 N 1.79 3.51 0.24 2.72 -0.14 -0.87 0.18 119.74 127.17 1n6u s LYS 126 Ca 0.07 -1.83 -0.11 0.00 -1.36 0.00 0.00 55.97 52.74 1n6u s LYS 126 Cb -0.18 -4.68 -0.07 0.00 -1.68 0.00 0.00 37.83 31.22 1n6u s LYS 126 CO 0.11 -1.63 0.58 -0.06 -0.76 0.00 0.00 175.35 173.59 1n6u s PHE 127 N 2.14 3.44 0.77 3.18 0.08 0.36 -2.75 117.98 125.19 1n6u s PHE 127 Ca 0.26 0.96 -0.15 0.00 0.12 0.00 0.00 56.93 58.11 1n6u s PHE 127 Cb -0.09 -2.32 -0.01 0.00 -0.57 0.00 0.00 43.02 40.03 1n6u s PHE 127 CO -0.06 0.26 0.63 -0.35 -0.10 0.00 0.00 175.22 175.59 1n6u n PRO 128 N -0.07 0.21 -2.06 0.24 -0.04 -1.26 0.16 135.00 132.18 1n6u n PRO 128 Ca 0.00 0.12 -0.27 0.00 -0.04 0.00 0.00 63.50 63.31 1n6u n PRO 128 Cb 0.52 -1.94 -0.05 0.00 -0.04 0.00 0.00 33.50 31.99 1n6u n PRO 128 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1n6u s SER 129 N -1.65 5.14 -0.01 3.54 1.04 -1.26 -2.77 113.70 117.72 1n6u s SER 129 Ca 0.66 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 56.25 1n6u s SER 129 Cb -0.32 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.23 1n6u s SER 129 CO 0.58 -2.79 -0.11 -0.51 0.98 0.00 0.00 173.24 171.39 1n6u s ILE 130 N 10.19 0.87 -0.64 -1.02 -1.16 -1.26 -4.97 121.20 123.21 1n6u s ILE 130 Ca 0.69 -0.46 -0.20 0.00 -0.51 0.00 0.00 60.65 60.17 1n6u s ILE 130 Cb -0.05 -0.74 0.09 0.00 0.61 0.00 0.00 42.46 42.37 1n6u s ILE 130 CO 0.02 0.25 0.84 0.68 -2.81 0.00 0.00 174.94 173.92 1n6u s VAL 131 N -0.16 4.62 0.58 4.00 -7.23 -1.26 -3.81 120.40 117.14 1n6u s VAL 131 Ca 0.03 -0.79 0.30 0.00 -1.81 0.00 0.00 61.98 59.71 1n6u s VAL 131 Cb -0.05 -4.59 0.45 0.00 0.56 0.00 0.00 36.38 32.74 1n6u s VAL 131 CO -0.00 -1.29 1.31 -1.84 -0.31 0.00 0.00 175.10 172.97 1n6u n GLU 132 N 6.89 0.01 0.00 4.82 0.28 -1.26 0.10 120.64 131.48 1n6u n GLU 132 Ca -0.05 1.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.96 1n6u n GLU 132 Cb 0.44 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.84 1n6u n GLU 132 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1n6u n GLU 133 N -3.33 0.00 -0.76 3.44 1.02 -1.26 -1.53 120.64 118.23 1n6u n GLU 133 Ca 0.27 0.46 0.01 0.00 -0.02 0.00 0.00 57.16 57.88 1n6u n GLU 133 Cb 1.60 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 31.48 1n6u n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1n6u n GLU 134 N -1.46 0.00 -2.12 3.49 -0.58 0.28 -5.11 120.64 115.14 1n6u n GLU 134 Ca 0.00 -1.12 -0.36 0.00 -0.42 0.00 0.00 57.16 55.27 1n6u n GLU 134 Cb 0.03 -0.28 0.02 0.00 -0.57 0.00 0.00 31.44 30.64 1n6u n GLU 134 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 1n6u s LEU 135 N 0.00 3.72 0.25 -4.62 2.34 -0.58 -4.92 118.68 114.87 1n6u s LEU 135 Ca 0.08 2.31 -0.04 0.00 0.06 0.00 0.00 54.13 56.54 1n6u s LEU 135 Cb 0.09 -4.56 0.30 0.00 -0.56 0.00 0.00 46.19 41.45 1n6u s LEU 135 CO -0.04 -1.41 1.83 0.06 -1.06 0.00 0.00 176.35 175.74 1n6u h GLN 136 N 1.09 1.05 -3.77 1.48 3.07 -1.94 -3.42 115.11 112.68 1n6u h GLN 136 Ca -0.50 -0.17 -0.33 0.00 0.09 0.00 0.00 58.65 57.73 1n6u h GLN 136 Cb 1.28 -0.18 -0.33 0.00 0.08 0.00 0.00 27.48 28.33 1n6u h GLN 136 CO 0.56 0.85 -0.74 0.12 0.09 0.00 0.00 178.83 179.70 1n6u s PHE 137 N -5.51 0.29 -0.98 0.06 2.19 -1.26 -4.66 117.98 108.12 1n6u s PHE 137 Ca -0.11 -0.01 -0.24 0.00 0.33 0.00 0.00 56.93 56.91 1n6u s PHE 137 Cb 0.16 -0.36 -0.02 0.00 -1.31 0.00 0.00 43.02 41.49 1n6u s PHE 137 CO 0.82 -0.11 1.78 0.16 1.83 0.00 0.00 175.22 179.71 1n6u s ASP 138 N 0.83 5.62 0.16 6.13 -4.77 -1.26 -4.95 116.67 118.42 1n6u s ASP 138 Ca -0.08 -1.06 0.09 0.00 -3.30 0.00 0.00 52.55 48.20 1n6u s ASP 138 Cb -0.12 -2.57 -0.04 0.00 -1.09 0.00 0.00 42.92 39.11 1n6u s ASP 138 CO -0.01 -2.33 -0.16 -1.48 0.70 0.00 0.00 175.17 171.88 1n6u s LEU 139 N 8.35 2.74 0.58 2.11 2.34 -1.26 -5.01 118.68 128.53 1n6u s LEU 139 Ca 0.62 -0.63 0.08 0.00 0.06 0.00 0.00 54.13 54.26 1n6u s LEU 139 Cb -0.04 -1.50 0.08 0.00 -0.56 0.00 0.00 46.19 44.17 1n6u s LEU 139 CO -0.02 0.14 0.68 -0.44 -1.06 0.00 0.00 176.35 175.65 1n6u s SER 140 N -2.49 4.91 -0.00 1.48 0.01 -1.00 -4.89 113.70 111.73 1n6u s SER 140 Ca 0.21 -1.01 0.05 0.00 1.31 0.00 0.00 55.95 56.50 1n6u s SER 140 Cb -0.09 0.42 -0.01 0.00 0.21 0.00 0.00 66.02 66.54 1n6u s SER 140 CO 0.12 -1.31 -0.15 -0.22 0.41 0.00 0.00 173.24 172.09 1n6u s LEU 141 N -4.56 2.05 -0.16 2.44 1.98 -1.26 -2.50 118.68 116.67 1n6u s LEU 141 Ca 0.53 -0.31 0.00 0.00 -2.89 0.00 0.00 54.13 51.46 1n6u s LEU 141 Cb -0.04 -0.76 0.03 0.00 0.66 0.00 0.00 46.19 46.08 1n6u s LEU 141 CO 0.33 0.16 -0.10 0.54 -1.89 0.00 0.00 176.35 175.40 1n6u s VAL 142 N -0.43 1.41 -0.48 1.68 0.11 0.13 -3.48 120.40 119.33 1n6u s VAL 142 Ca 0.05 -0.70 -0.20 0.00 -2.93 0.00 0.00 61.98 58.20 1n6u s VAL 142 Cb -0.06 -1.45 0.04 0.00 -1.53 0.00 0.00 36.38 33.38 1n6u s VAL 142 CO -0.00 0.27 0.65 -0.63 -3.33 0.00 0.00 175.10 172.07 1n6u s ILE 143 N 1.52 4.82 -0.45 7.04 -1.09 0.45 -2.55 121.20 130.94 1n6u s ILE 143 Ca 0.02 -0.20 -0.20 0.00 -2.23 0.00 0.00 60.65 58.04 1n6u s ILE 143 Cb -0.14 -4.28 0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1n6u s ILE 143 CO -0.09 -0.75 0.62 -1.61 -1.23 0.00 0.00 174.94 171.88 1n6u s GLU 144 N 2.81 3.22 -0.38 2.79 8.01 -1.01 0.20 118.70 134.33 1n6u s GLU 144 Ca 0.19 -0.54 -0.21 0.00 0.01 0.00 0.00 54.97 54.42 1n6u s GLU 144 Cb -0.17 -3.99 0.01 0.00 -4.31 0.00 0.00 34.13 25.68 1n6u s GLU 144 CO 0.15 -1.04 0.69 -2.00 0.01 0.00 0.00 175.26 173.07 1n6u s GLU 145 N 2.71 3.60 -0.92 1.61 -6.30 0.19 -0.52 118.70 119.07 1n6u s GLU 145 Ca 0.20 0.03 -0.01 0.00 -2.50 0.00 0.00 54.97 52.68 1n6u s GLU 145 Cb -0.16 -3.85 0.28 0.00 0.00 0.00 0.00 34.13 30.40 1n6u s GLU 145 CO 0.17 -0.85 1.14 0.94 0.02 0.00 0.00 175.26 176.67 1n6u n GLN 146 N 6.25 3.57 -3.09 4.30 0.00 -0.62 0.14 117.38 127.93 1n6u n GLN 146 Ca 0.00 -4.58 -0.40 0.00 -0.00 0.00 0.00 57.00 52.02 1n6u n GLN 146 Cb 0.48 -2.42 -0.05 0.00 0.00 0.00 0.00 30.24 28.25 1n6u n GLN 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1n6u s SER 147 N -1.67 6.82 -0.83 1.69 0.15 0.28 0.62 113.70 120.77 1n6u s SER 147 Ca 0.33 0.99 -0.22 0.00 0.70 0.00 0.00 55.95 57.76 1n6u s SER 147 Cb 0.06 -2.37 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 1n6u s SER 147 CO 0.03 -0.19 0.47 -1.84 1.20 0.00 0.00 173.24 172.91 1n6u n GLU 148 N 4.42 -0.53 0.00 5.44 0.28 0.40 0.11 120.64 130.77 1n6u n GLU 148 Ca -0.01 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1n6u n GLU 148 Cb 0.50 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.91 1n6u n GLU 148 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1n6u n GLY 149 N -1.71 2.49 3.61 -1.84 0.00 -1.26 -5.00 105.19 101.47 1n6u n GLY 149 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1n6u n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n6u s ILE 150 N -2.68 5.28 -0.19 -0.61 1.01 0.30 -5.06 121.20 119.24 1n6u s ILE 150 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.89 1n6u s ILE 150 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1n6u s ILE 150 CO 0.00 0.24 0.06 0.54 0.00 0.00 0.00 174.94 175.79 1n6u s VAL 151 N 1.69 4.71 0.10 2.92 0.11 -1.26 0.10 120.40 128.78 1n6u s VAL 151 Ca 0.10 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1n6u s VAL 151 Cb -0.15 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.53 1n6u s VAL 151 CO 0.09 0.44 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.65 1n6u s LYS 152 N 0.60 0.90 -0.20 1.54 -0.14 0.38 -4.94 119.74 117.88 1n6u s LYS 152 Ca 0.03 -1.18 0.01 0.00 -1.36 0.00 0.00 55.97 53.48 1n6u s LYS 152 Cb -0.13 -0.65 0.03 0.00 -1.68 0.00 0.00 37.83 35.39 1n6u s LYS 152 CO 0.01 0.11 -0.17 -1.59 -0.76 0.00 0.00 175.35 172.96 1n6u s LYS 153 N -2.72 2.84 0.20 1.68 -2.85 -1.26 0.55 119.74 118.18 1n6u s LYS 153 Ca 0.06 -0.94 0.07 0.00 -1.00 0.00 0.00 55.97 54.17 1n6u s LYS 153 Cb -0.04 -2.68 -0.04 0.00 -2.06 0.00 0.00 37.83 33.01 1n6u s LYS 153 CO 0.01 -0.30 0.06 -1.01 0.10 0.00 0.00 175.35 174.22 1n6u s HIS 154 N 1.26 2.93 -0.48 1.78 3.76 0.52 -4.93 115.29 120.14 1n6u s HIS 154 Ca 0.02 -0.12 0.06 0.00 -0.15 0.00 0.00 55.06 54.87 1n6u s HIS 154 Cb -0.15 -1.38 0.19 0.00 1.11 0.00 0.00 32.58 32.35 1n6u s HIS 154 CO -0.10 0.54 0.60 0.36 -0.85 0.00 0.00 174.74 175.28 1n6u n LYS 155 N -0.46 0.43 -2.23 1.40 2.85 -1.26 0.17 118.16 119.06 1n6u n LYS 155 Ca -0.09 -2.46 -0.36 0.00 -1.05 0.00 0.00 58.31 54.36 1n6u n LYS 155 Cb 0.56 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 1n6u n LYS 155 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1n6u s PRO 156 N 0.51 3.45 -0.07 -1.58 0.04 -1.23 -4.92 135.00 131.20 1n6u s PRO 156 Ca 0.31 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 1n6u s PRO 156 Cb 0.03 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1n6u s PRO 156 CO -0.12 -0.79 2.07 -2.00 0.04 0.00 0.00 177.00 176.20 1n6u s GLU 157 N -3.09 3.73 -0.03 4.56 2.56 -1.26 -4.45 118.70 120.73 1n6u s GLU 157 Ca 0.70 2.37 0.07 0.00 0.00 0.00 0.00 54.97 58.11 1n6u s GLU 157 Cb -0.26 -4.25 0.23 0.00 2.00 0.00 0.00 34.13 31.85 1n6u s GLU 157 CO 0.30 -1.43 1.09 -0.89 -0.56 0.00 0.00 175.26 173.78 1n6u n ILE 158 N 6.45 0.52 -1.76 -3.70 2.08 -1.26 -4.53 119.36 117.16 1n6u n ILE 158 Ca 0.24 -0.37 -0.19 0.00 0.56 0.00 0.00 62.75 62.99 1n6u n ILE 158 Cb 0.43 -0.03 -0.09 0.00 -0.75 0.00 0.00 39.64 39.19 1n6u n ILE 158 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1n6u s LYS 159 N -1.64 1.63 0.00 0.38 -0.14 -1.26 -1.15 119.74 117.56 1n6u s LYS 159 Ca 0.17 -0.57 0.00 0.00 -1.36 0.00 0.00 55.97 54.20 1n6u s LYS 159 Cb 0.10 -5.05 0.00 0.00 -1.68 0.00 0.00 37.83 31.21 1n6u s LYS 159 CO 0.09 -4.93 0.00 0.41 -0.76 0.00 0.00 175.35 170.17 1n6u n GLY 160 N 6.12 0.74 0.07 -3.33 0.00 -1.26 -4.95 105.19 102.58 1n6u n GLY 160 Ca 0.43 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 1n6u n GLY 160 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n6u n ASN 161 N 0.66 0.13 -2.19 1.61 4.05 -0.30 -4.44 115.26 114.79 1n6u n ASN 161 Ca 0.00 0.00 -0.20 0.00 0.45 0.00 0.00 54.58 54.83 1n6u n ASN 161 Cb 0.00 1.29 -0.06 0.00 1.23 0.00 0.00 39.78 42.25 1n6u n ASN 161 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1n6u n MET 162 N -2.58 2.09 -1.34 1.20 2.81 -1.24 -4.23 117.12 113.84 1n6u n MET 162 Ca -0.23 -1.74 0.02 0.00 -1.81 0.00 0.00 57.70 53.94 1n6u n MET 162 Cb 0.96 -1.92 0.10 0.00 -0.71 0.00 0.00 33.22 31.65 1n6u n MET 162 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1n6u n SER 163 N 1.14 1.71 0.00 7.83 2.88 -1.25 -4.16 113.62 121.77 1n6u n SER 163 Ca 0.40 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 1n6u n SER 163 Cb 0.63 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1n6u n SER 163 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n6u n GLY 164 N -0.36 0.29 3.46 0.46 0.00 0.12 -4.08 105.19 105.09 1n6u n GLY 164 Ca 0.15 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1n6u n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6u s ASN 165 N -4.00 7.02 0.15 1.61 2.20 -1.26 0.13 114.94 120.80 1n6u s ASN 165 Ca 0.00 -2.90 -0.33 0.00 -0.94 0.00 0.00 52.86 48.69 1n6u s ASN 165 Cb 0.00 -2.39 -0.16 0.00 -2.00 0.00 0.00 41.25 36.69 1n6u s ASN 165 CO 0.00 -0.77 1.08 0.33 -2.94 0.00 0.00 177.10 174.80 1n6u n PHE 166 N 5.63 1.01 -4.00 1.54 -0.00 0.48 -4.75 117.46 117.38 1n6u n PHE 166 Ca 0.34 0.76 -0.31 0.00 -0.00 0.00 0.00 57.45 58.24 1n6u n PHE 166 Cb 0.43 -2.22 -0.15 0.00 -0.00 0.00 0.00 39.48 37.55 1n6u n PHE 166 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1n6u s THR 167 N -0.27 2.37 -0.01 -2.13 -4.23 -1.26 -1.64 115.64 108.47 1n6u s THR 167 Ca 0.74 -2.53 0.08 0.00 -1.18 0.00 0.00 61.69 58.80 1n6u s THR 167 Cb -0.91 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 1n6u s THR 167 CO 0.53 -0.64 -0.25 -0.47 -0.54 0.00 0.00 174.62 173.25 1n6u s TYR 168 N 0.67 2.35 -0.17 3.99 6.14 0.13 -5.01 117.35 125.46 1n6u s TYR 168 Ca 0.12 -0.42 -0.00 0.00 0.64 0.00 0.00 57.07 57.41 1n6u s TYR 168 Cb -0.20 -1.49 0.04 0.00 0.42 0.00 0.00 41.96 40.72 1n6u s TYR 168 CO -0.06 0.00 -0.07 0.42 0.64 0.00 0.00 175.55 176.48 1n6u s ILE 169 N -0.65 1.25 -0.82 3.14 -1.09 -1.26 0.94 121.20 122.71 1n6u s ILE 169 Ca 0.10 -0.69 -0.19 0.00 -2.23 0.00 0.00 60.65 57.65 1n6u s ILE 169 Cb -0.10 -1.37 0.12 0.00 -1.58 0.00 0.00 42.46 39.53 1n6u s ILE 169 CO -0.00 0.17 0.99 -0.63 -1.23 0.00 0.00 174.94 174.24 1n6u s ILE 170 N 1.58 4.76 0.63 2.92 1.09 -0.53 -4.86 121.20 126.79 1n6u s ILE 170 Ca 0.01 -1.36 0.01 0.00 -1.10 0.00 0.00 60.65 58.21 1n6u s ILE 170 Cb -0.15 -4.68 0.08 0.00 -1.06 0.00 0.00 42.46 36.64 1n6u s ILE 170 CO -0.08 -1.39 0.88 1.51 -0.10 0.00 0.00 174.94 175.76 1n6u s ASP 171 N 3.49 4.83 -0.09 3.58 -4.77 -1.26 -0.60 116.67 121.84 1n6u s ASP 171 Ca 0.26 -0.22 -0.00 0.00 -3.30 0.00 0.00 52.55 49.29 1n6u s ASP 171 Cb -0.11 -0.41 -0.00 0.00 -1.09 0.00 0.00 42.92 41.31 1n6u s ASP 171 CO -0.03 -1.50 0.07 1.17 0.70 0.00 0.00 175.17 175.58 1n6u n LYS 172 N -2.57 -0.34 -4.33 2.11 4.81 -1.24 -4.92 118.16 111.67 1n6u n LYS 172 Ca 0.12 0.07 -0.23 0.00 -0.87 0.00 0.00 58.31 57.39 1n6u n LYS 172 Cb 0.60 -2.29 -0.08 0.00 0.02 0.00 0.00 35.03 33.28 1n6u n LYS 172 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1n6u s LEU 173 N -2.77 3.04 0.11 3.14 2.01 -0.28 -5.06 118.68 118.87 1n6u s LEU 173 Ca 0.02 -0.77 0.07 0.00 0.01 0.00 0.00 54.13 53.45 1n6u s LEU 173 Cb -0.00 -1.54 -0.04 0.00 0.01 0.00 0.00 46.19 44.62 1n6u s LEU 173 CO 0.06 -0.02 -0.07 0.27 1.01 0.00 0.00 176.35 177.60 1n6u s ILE 174 N -2.39 3.56 -0.29 -0.59 -0.00 -1.26 -4.74 121.20 115.49 1n6u s ILE 174 Ca 0.32 -1.22 -0.41 0.00 -0.00 0.00 0.00 60.65 59.34 1n6u s ILE 174 Cb -0.05 -2.69 -0.18 0.00 -0.00 0.00 0.00 42.46 39.53 1n6u s ILE 174 CO 0.19 0.09 1.29 -2.65 -0.00 0.00 0.00 174.94 173.85 1n6u n PRO 175 N 0.58 0.00 -1.67 0.37 -0.02 -1.26 -3.47 135.00 129.53 1n6u n PRO 175 Ca -0.12 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1n6u n PRO 175 Cb 0.52 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1n6u n PRO 175 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1n6u n ASN 176 N 2.82 -2.68 -3.28 2.55 2.85 -1.26 -4.87 115.26 111.39 1n6u n ASN 176 Ca 0.25 0.03 -0.26 0.00 -0.11 0.00 0.00 54.58 54.49 1n6u n ASN 176 Cb -0.01 -1.50 -0.07 0.00 1.24 0.00 0.00 39.78 39.44 1n6u n ASN 176 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1n6u n THR 177 N -0.76 1.44 -2.15 -0.44 -1.04 -1.23 -4.79 114.28 105.31 1n6u n THR 177 Ca 0.01 -4.89 -0.43 0.00 -2.04 0.00 0.00 64.05 56.70 1n6u n THR 177 Cb 0.26 -1.86 -0.03 0.00 -1.82 0.00 0.00 70.33 66.89 1n6u n THR 177 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1n6u s ASN 178 N -2.24 6.01 -0.09 8.00 2.20 -1.26 -4.21 114.94 123.35 1n6u s ASN 178 Ca 0.40 0.99 0.00 0.00 -0.94 0.00 0.00 52.86 53.31 1n6u s ASN 178 Cb 0.18 -2.53 -0.03 0.00 -2.00 0.00 0.00 41.25 36.88 1n6u s ASN 178 CO -0.06 -1.66 -0.08 -0.72 -2.94 0.00 0.00 177.10 171.64 1n6u s TYR 179 N 6.49 2.91 -0.65 1.54 -0.85 -1.00 -0.45 117.35 125.34 1n6u s TYR 179 Ca 0.71 -0.16 -0.18 0.00 -0.52 0.00 0.00 57.07 56.92 1n6u s TYR 179 Cb -0.18 -1.77 0.13 0.00 0.38 0.00 0.00 41.96 40.52 1n6u s TYR 179 CO 0.32 0.16 0.71 0.00 -1.52 0.00 0.00 175.55 175.22 1n6u s VAL 181 N 2.08 5.11 0.27 0.00 1.01 0.16 -1.59 120.40 127.44 1n6u s VAL 181 Ca 0.13 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.30 1n6u s VAL 181 Cb -0.21 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1n6u s VAL 181 CO 0.02 0.26 0.32 -0.55 0.00 0.00 0.00 175.10 175.14 1n6u s SER 182 N 0.82 5.88 -0.48 3.32 0.15 0.32 -2.63 113.70 121.08 1n6u s SER 182 Ca 0.29 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.85 1n6u s SER 182 Cb -0.16 -1.50 0.18 0.00 -1.71 0.00 0.00 66.02 62.84 1n6u s SER 182 CO 0.12 -0.16 0.41 0.52 1.20 0.00 0.00 173.24 175.34 1n6u n VAL 183 N -1.38 -0.43 -4.30 4.45 0.31 -1.26 -2.40 118.33 113.32 1n6u n VAL 183 Ca -0.06 -3.87 -0.28 0.00 -0.01 0.00 0.00 64.34 60.12 1n6u n VAL 183 Cb 0.58 -1.82 -0.10 0.00 -0.91 0.00 0.00 33.84 31.59 1n6u n VAL 183 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1n6u s TYR 184 N -0.52 2.57 0.51 3.52 -0.85 -1.05 -4.35 117.35 117.18 1n6u s TYR 184 Ca 0.32 -0.25 -0.03 0.00 -0.52 0.00 0.00 57.07 56.60 1n6u s TYR 184 Cb 0.05 -1.30 -0.00 0.00 0.38 0.00 0.00 41.96 41.08 1n6u s TYR 184 CO -0.17 0.46 0.78 -0.48 -1.52 0.00 0.00 175.55 174.62 1n6u s LEU 185 N -2.53 3.47 0.17 -3.49 0.05 -1.26 0.18 118.68 115.27 1n6u s LEU 185 Ca 0.22 0.52 -0.08 0.00 0.05 0.00 0.00 54.13 54.84 1n6u s LEU 185 Cb -0.09 -3.38 -0.01 0.00 -2.05 0.00 0.00 46.19 40.65 1n6u s LEU 185 CO 0.13 -0.84 0.27 -1.83 -0.55 0.00 0.00 176.35 173.52 1n6u s GLU 186 N -4.76 1.18 -0.42 1.48 4.04 -1.04 -4.45 118.70 114.74 1n6u s GLU 186 Ca 0.51 -1.26 0.05 0.00 0.04 0.00 0.00 54.97 54.31 1n6u s GLU 186 Cb -0.10 0.36 0.31 0.00 0.02 0.00 0.00 34.13 34.72 1n6u s GLU 186 CO 0.42 -0.43 1.18 -2.39 -1.84 0.00 0.00 175.26 172.19 1n6u n HIS 187 N -0.23 -2.15 -2.78 4.83 1.44 -1.26 -2.36 115.22 112.70 1n6u n HIS 187 Ca -0.05 -1.64 -0.19 0.00 -2.01 0.00 0.00 57.72 53.83 1n6u n HIS 187 Cb 0.63 1.48 0.02 0.00 0.12 0.00 0.00 29.99 32.24 1n6u n HIS 187 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1n6u n SER 188 N 0.61 -5.38 -3.72 4.39 7.64 -1.26 -4.99 113.62 110.91 1n6u n SER 188 Ca 0.03 -0.20 -0.13 0.00 1.01 0.00 0.00 58.87 59.58 1n6u n SER 188 Cb 0.71 -4.26 -0.09 0.00 -1.01 0.00 0.00 64.21 59.55 1n6u n SER 188 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1n6u s ASP 189 N -2.64 -0.48 -0.36 6.43 -1.08 -1.26 -5.03 116.67 112.25 1n6u s ASP 189 Ca 0.20 0.93 0.08 0.00 -0.52 0.00 0.00 52.55 53.24 1n6u s ASP 189 Cb -0.09 0.94 0.68 0.00 -1.46 0.00 0.00 42.92 42.99 1n6u s ASP 189 CO 0.25 -0.16 1.78 1.21 0.52 0.00 0.00 175.17 178.77 1n6u n GLU 190 N 2.82 2.90 -0.00 4.34 4.07 -1.26 -4.13 120.64 129.38 1n6u n GLU 190 Ca -0.13 -3.07 0.01 0.00 -0.06 0.00 0.00 57.16 53.91 1n6u n GLU 190 Cb 0.57 -2.13 -0.02 0.00 -0.06 0.00 0.00 31.44 29.80 1n6u n GLU 190 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1n6u n GLN 191 N -0.66 3.13 -1.46 5.31 -0.06 -1.26 -4.66 117.38 117.72 1n6u n GLN 191 Ca 0.46 -0.01 -0.29 0.00 -2.00 0.00 0.00 57.00 55.16 1n6u n GLN 191 Cb 1.42 -0.83 -0.01 0.00 -4.06 0.00 0.00 30.24 26.76 1n6u n GLN 191 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1n6u n ALA 192 N -1.32 6.22 -2.93 1.69 0.00 -1.26 -4.88 120.51 118.03 1n6u n ALA 192 Ca -0.00 -3.06 -0.44 0.00 0.00 0.00 0.00 53.44 49.94 1n6u n ALA 192 Cb 0.05 -1.94 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 1n6u n ALA 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n6u s VAL 193 N -3.09 4.83 -1.43 0.00 -7.23 -1.26 -4.45 120.40 107.77 1n6u s VAL 193 Ca 0.53 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.66 1n6u s VAL 193 Cb 0.38 -4.83 -0.02 0.00 0.56 0.00 0.00 36.38 32.47 1n6u s VAL 193 CO -0.20 -1.56 2.80 -0.38 -0.31 0.00 0.00 175.10 175.45 1n6u n ILE 194 N 5.20 4.56 -2.03 -0.62 -0.00 -1.26 -4.90 119.36 120.31 1n6u n ILE 194 Ca 0.29 -3.13 -0.39 0.00 -0.00 0.00 0.00 62.75 59.51 1n6u n ILE 194 Cb 0.47 -2.39 -0.03 0.00 -0.00 0.00 0.00 39.64 37.69 1n6u n ILE 194 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1n6u s LYS 195 N 0.91 2.71 0.84 0.38 2.20 -1.26 -3.84 119.74 121.67 1n6u s LYS 195 Ca 0.64 0.73 -0.12 0.00 -0.36 0.00 0.00 55.97 56.87 1n6u s LYS 195 Cb 0.19 -4.37 0.10 0.00 -1.51 0.00 0.00 37.83 32.25 1n6u s LYS 195 CO -0.07 -2.63 1.17 -1.54 -0.36 0.00 0.00 175.35 171.91 1n6u s SER 196 N 7.93 3.48 -0.67 1.43 1.04 -1.26 -4.76 113.70 120.90 1n6u s SER 196 Ca 0.69 2.23 -0.32 0.00 0.48 0.00 0.00 55.95 59.04 1n6u s SER 196 Cb -0.14 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.26 1n6u s SER 196 CO 0.23 -2.74 2.45 -2.65 0.98 0.00 0.00 173.24 171.51 1n6u n PRO 197 N -3.64 0.52 -1.67 4.02 -0.02 -1.26 -4.64 135.00 128.31 1n6u n PRO 197 Ca 0.12 0.06 -0.65 0.00 -2.02 0.00 0.00 63.50 61.02 1n6u n PRO 197 Cb 0.51 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.67 1n6u n PRO 197 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1n6u n LEU 198 N 11.49 1.10 -4.56 2.45 7.94 -1.26 -4.91 117.00 129.24 1n6u n LEU 198 Ca 0.52 1.14 -0.41 0.00 -1.11 0.00 0.00 56.01 56.14 1n6u n LEU 198 Cb 0.20 -0.85 -0.08 0.00 0.53 0.00 0.00 43.42 43.23 1n6u n LEU 198 CO 0.83 -0.86 0.23 -0.75 -1.11 0.00 0.00 177.39 175.73 1n6u s LYS 199 N 2.72 3.66 -0.90 1.96 2.20 -1.08 -4.81 119.74 123.49 1n6u s LYS 199 Ca 1.00 -0.11 -0.12 0.00 -0.36 0.00 0.00 55.97 56.37 1n6u s LYS 199 Cb -1.43 -3.80 0.23 0.00 -1.51 0.00 0.00 37.83 31.33 1n6u s LYS 199 CO 0.77 -0.62 0.85 0.00 -0.36 0.00 0.00 175.35 175.99 1n6u s THR 201 N -0.26 5.19 0.36 0.00 -1.32 -0.14 -4.65 115.64 114.83 1n6u s THR 201 Ca 0.22 0.72 -0.00 0.00 -1.21 0.00 0.00 61.69 61.42 1n6u s THR 201 Cb -0.10 -3.74 -0.03 0.00 -1.51 0.00 0.00 72.50 67.12 1n6u s THR 201 CO -0.09 0.24 0.58 -0.22 -2.21 0.00 0.00 174.62 172.92 1n6u s LEU 202 N 1.37 3.96 0.24 9.08 0.20 -1.26 -2.39 118.68 129.89 1n6u s LEU 202 Ca 0.19 0.49 0.08 0.00 0.69 0.00 0.00 54.13 55.58 1n6u s LEU 202 Cb -0.15 -3.36 -0.04 0.00 -0.43 0.00 0.00 46.19 42.21 1n6u s LEU 202 CO 0.08 -0.34 0.10 -1.48 -0.29 0.00 0.00 176.35 174.43 1n6u s LEU 203 N -4.37 3.55 -0.39 -0.68 0.05 -1.26 -4.38 118.68 111.21 1n6u s LEU 203 Ca 0.41 -0.39 -0.32 0.00 0.05 0.00 0.00 54.13 53.88 1n6u s LEU 203 Cb -0.10 -2.10 -0.10 0.00 -2.05 0.00 0.00 46.19 41.85 1n6u s LEU 203 CO 0.37 -0.00 2.26 -0.81 -0.55 0.00 0.00 176.35 177.62 1n6u n PRO 204 N -0.91 1.18 0.00 1.48 -0.04 -1.26 -4.19 135.00 131.25 1n6u n PRO 204 Ca -0.08 0.28 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1n6u n PRO 204 Cb 0.58 -2.69 0.45 0.00 -0.04 0.00 0.00 33.50 31.80 1n6u n PRO 204 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1n6u n PRO 205 N 8.45 0.34 -1.76 0.54 -0.04 -1.26 -4.27 135.00 137.00 1n6u n PRO 205 Ca 0.40 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1n6u n PRO 205 Cb 0.30 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1n6u n PRO 205 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n6u n GLY 206 N 0.13 -5.04 3.54 0.55 0.00 -1.26 -4.09 105.19 99.02 1n6u n GLY 206 Ca 0.10 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 1n6u n GLY 206 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n6u s GLN 207 N -1.48 1.89 -0.51 1.61 -0.21 -1.26 -4.99 119.66 114.72 1n6u s GLN 207 Ca 0.00 -2.13 -0.02 0.00 0.02 0.00 0.00 55.36 53.22 1n6u s GLN 207 Cb 0.00 -0.88 0.22 0.00 1.00 0.00 0.00 33.01 33.35 1n6u s GLN 207 CO 0.00 -0.36 2.31 -0.85 -2.12 0.00 0.00 175.29 174.27 1n6u n GLU 208 N -0.91 2.32 -4.10 2.91 -0.00 -1.26 -4.94 120.64 114.67 1n6u n GLU 208 Ca -0.07 -2.44 -0.22 0.00 -0.00 0.00 0.00 57.16 54.43 1n6u n GLU 208 Cb 0.66 -2.03 -0.04 0.00 -0.00 0.00 0.00 31.44 30.03 1n6u n GLU 208 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1n6u s SER 209 N -0.28 5.62 -0.25 -1.84 0.01 -1.26 -4.87 113.70 110.83 1n6u s SER 209 Ca 0.50 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.51 1n6u s SER 209 Cb 0.37 -1.46 0.02 0.00 0.21 0.00 0.00 66.02 65.16 1n6u s SER 209 CO -0.15 -0.04 0.10 -0.62 0.41 0.00 0.00 173.24 172.94 1n6u n GLU 210 N -1.18 -3.87 -1.25 12.44 1.02 -1.26 -4.87 120.64 121.67 1n6u n GLU 210 Ca -0.08 3.01 0.17 0.00 -0.02 0.00 0.00 57.16 60.24 1n6u n GLU 210 Cb 0.58 -5.16 -0.05 0.00 -0.02 0.00 0.00 31.44 26.79 1n6u n GLU 210 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1n6u n PHE 211 N 1.08 -3.18 -0.99 -0.32 3.72 -1.26 -5.20 117.46 111.31 1n6u n PHE 211 Ca -0.17 1.62 0.00 0.00 -0.05 0.00 0.00 57.45 58.84 1n6u n PHE 211 Cb 0.27 -2.89 0.00 0.00 -0.94 0.00 0.00 39.48 35.91 1n6u n PHE 211 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16