#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfd n SER 2 N 0.00 0.44 -3.77 1.67 7.64 -1.26 -0.45 113.62 117.89 1nfd n SER 2 Ca 0.00 -1.32 -0.13 0.00 1.01 0.00 0.00 58.87 58.44 1nfd n SER 2 Cb 0.00 -0.22 -0.13 0.00 -1.01 0.00 0.00 64.21 62.85 1nfd n SER 2 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1nfd s GLY 3 N -0.67 -0.12 0.31 0.23 0.00 -1.26 -4.95 107.32 100.86 1nfd s GLY 3 Ca 0.00 0.71 -0.29 0.00 0.00 0.00 0.00 44.72 45.14 1nfd s GLY 3 CO 0.00 0.81 1.37 0.14 0.00 0.00 0.00 173.10 175.42 1nfd s VAL 4 N 0.67 2.60 -0.05 1.40 1.01 -1.26 -4.56 120.40 120.21 1nfd s VAL 4 Ca -0.05 0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.57 1nfd s VAL 4 Cb -0.06 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1nfd s VAL 4 CO -0.04 0.12 -0.23 -0.69 0.00 0.00 0.00 175.10 174.27 1nfd s VAL 5 N -0.79 2.28 -0.02 2.92 1.01 -0.60 -4.53 120.40 120.67 1nfd s VAL 5 Ca 0.53 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1nfd s VAL 5 Cb -0.41 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1nfd s VAL 5 CO 0.51 0.58 -0.09 -1.10 0.00 0.00 0.00 175.10 175.00 1nfd s GLN 6 N -0.41 0.89 -0.16 2.72 -0.21 -1.26 -0.88 119.66 120.34 1nfd s GLN 6 Ca 0.04 -0.32 -0.18 0.00 0.02 0.00 0.00 55.36 54.93 1nfd s GLN 6 Cb -0.12 -0.84 0.05 0.00 1.00 0.00 0.00 33.01 33.10 1nfd s GLN 6 CO 0.01 0.15 0.48 -1.54 -2.12 0.00 0.00 175.29 172.27 1nfd s SER 7 N 0.04 -0.49 0.63 5.90 1.04 -1.03 -4.44 113.70 115.34 1nfd s SER 7 Ca -0.01 0.90 -0.04 0.00 0.48 0.00 0.00 55.95 57.28 1nfd s SER 7 Cb -0.07 0.92 0.04 0.00 0.10 0.00 0.00 66.02 67.01 1nfd s SER 7 CO 0.00 -0.21 0.91 -2.16 0.98 0.00 0.00 173.24 172.76 1nfd s PRO 8 N 0.06 2.48 0.00 4.02 0.04 -1.26 0.22 135.00 140.56 1nfd s PRO 8 Ca -0.02 -0.33 0.27 0.00 0.04 0.00 0.00 61.00 60.96 1nfd s PRO 8 Cb -0.03 -2.29 0.90 0.00 0.04 0.00 0.00 34.50 33.12 1nfd s PRO 8 CO 0.01 -0.94 1.67 -2.13 0.04 0.00 0.00 177.00 175.65 1nfd n ARG 9 N -2.67 0.28 -3.65 4.56 3.00 -1.26 -4.15 116.66 112.77 1nfd n ARG 9 Ca 0.07 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.85 57.74 1nfd n ARG 9 Cb 0.59 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.48 1nfd n ARG 9 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1nfd s HIS 10 N -2.80 -1.02 -0.14 -0.14 3.76 -1.26 -2.42 115.29 111.27 1nfd s HIS 10 Ca 0.18 1.86 -0.01 0.00 -0.15 0.00 0.00 55.06 56.94 1nfd s HIS 10 Cb 0.19 0.51 0.04 0.00 1.11 0.00 0.00 32.58 34.43 1nfd s HIS 10 CO 0.58 -0.56 -0.02 0.42 -0.85 0.00 0.00 174.74 174.31 1nfd s ILE 11 N 2.71 0.80 -0.14 0.60 1.01 -0.96 -4.98 121.20 120.24 1nfd s ILE 11 Ca -0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1nfd s ILE 11 Cb -0.12 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1nfd s ILE 11 CO -0.15 0.12 -0.03 -0.63 0.00 0.00 0.00 174.94 174.25 1nfd s ILE 12 N 1.77 4.02 0.23 2.92 1.01 -1.26 0.38 121.20 130.26 1nfd s ILE 12 Ca 0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 1nfd s ILE 12 Cb -0.15 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1nfd s ILE 12 CO -0.07 0.52 0.38 -0.54 0.00 0.00 0.00 174.94 175.23 1nfd s LYS 13 N 0.03 1.42 0.41 2.79 1.02 -0.62 -4.91 119.74 119.89 1nfd s LYS 13 Ca 0.01 -1.31 0.08 0.00 0.02 0.00 0.00 55.97 54.77 1nfd s LYS 13 Cb -0.13 0.42 -0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1nfd s LYS 13 CO 0.02 -0.56 0.49 -2.00 -0.92 0.00 0.00 175.35 172.38 1nfd s GLU 14 N -4.04 2.72 0.74 1.68 2.12 -1.26 0.23 118.70 120.90 1nfd s GLU 14 Ca 0.25 -1.35 -0.15 0.00 0.36 0.00 0.00 54.97 54.08 1nfd s GLU 14 Cb 0.01 -2.61 0.03 0.00 0.26 0.00 0.00 34.13 31.83 1nfd s GLU 14 CO 0.08 -0.22 1.12 1.63 -0.54 0.00 0.00 175.26 177.33 1nfd n LYS 15 N -1.71 0.49 0.00 4.30 5.02 -0.73 -1.56 118.16 123.96 1nfd n LYS 15 Ca 0.06 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1nfd n LYS 15 Cb 0.60 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 1nfd n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nfd n GLY 16 N 0.85 2.36 3.30 0.72 0.00 -0.66 -4.90 105.19 106.86 1nfd n GLY 16 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1nfd n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfd n GLY 17 N -1.52 -2.44 2.88 -0.02 0.00 -0.60 -3.98 105.19 99.50 1nfd n GLY 17 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1nfd n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nfd s ARG 18 N -3.52 0.19 0.45 1.61 0.52 -1.26 -1.81 118.95 115.13 1nfd s ARG 18 Ca 0.57 0.47 0.03 0.00 -0.52 0.00 0.00 55.73 56.29 1nfd s ARG 18 Cb -0.13 -0.62 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 1nfd s ARG 18 CO 0.66 -0.50 0.02 0.45 0.02 0.00 0.00 175.30 175.95 1nfd s SER 19 N 2.39 3.76 -0.00 0.23 0.15 -0.35 -4.97 113.70 114.90 1nfd s SER 19 Ca 0.05 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.16 1nfd s SER 19 Cb -0.14 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1nfd s SER 19 CO -0.11 -0.72 -0.01 -0.69 1.20 0.00 0.00 173.24 172.91 1nfd s VAL 20 N -2.90 0.10 0.23 4.45 1.01 -1.26 -0.34 120.40 121.69 1nfd s VAL 20 Ca 0.19 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.20 1nfd s VAL 20 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.29 1nfd s VAL 20 CO 0.10 0.04 0.21 -0.76 0.00 0.00 0.00 175.10 174.69 1nfd s LEU 21 N 0.08 3.91 0.08 3.92 1.02 0.83 -4.62 118.68 123.90 1nfd s LEU 21 Ca -0.01 -0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.02 1nfd s LEU 21 Cb -0.02 -2.46 -0.03 0.00 0.02 0.00 0.00 46.19 43.70 1nfd s LEU 21 CO -0.00 -0.02 -0.10 -0.89 0.02 0.00 0.00 176.35 175.35 1nfd s THR 22 N -2.02 0.86 -0.18 5.49 2.01 0.13 -0.11 115.64 121.83 1nfd s THR 22 Ca 0.33 -1.41 -0.07 0.00 0.31 0.00 0.00 61.69 60.84 1nfd s THR 22 Cb -0.09 -1.09 0.08 0.00 0.01 0.00 0.00 72.50 71.41 1nfd s THR 22 CO 0.25 -0.44 0.40 0.00 -0.69 0.00 0.00 174.62 174.15 1nfd s ILE 24 N 2.22 4.35 0.91 0.00 -1.09 -0.05 -1.91 121.20 125.63 1nfd s ILE 24 Ca -0.04 -1.92 -0.11 0.00 -2.23 0.00 0.00 60.65 56.36 1nfd s ILE 24 Cb -0.11 -3.84 0.13 0.00 -1.58 0.00 0.00 42.46 37.05 1nfd s ILE 24 CO -0.12 -0.81 1.05 -0.81 -1.23 0.00 0.00 174.94 173.02 1nfd n PRO 25 N 4.74 -0.38 -1.95 2.79 -0.04 -1.26 -1.55 135.00 137.35 1nfd n PRO 25 Ca -0.05 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 1nfd n PRO 25 Cb 0.41 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 1nfd n PRO 25 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nfd s ILE 26 N -2.55 2.66 0.21 0.52 1.01 -1.25 -4.19 121.20 117.60 1nfd s ILE 26 Ca 0.66 0.48 -0.31 0.00 0.00 0.00 0.00 60.65 61.48 1nfd s ILE 26 Cb -0.23 -3.31 -0.15 0.00 0.01 0.00 0.00 42.46 38.78 1nfd s ILE 26 CO 0.59 0.04 1.16 -1.20 0.00 0.00 0.00 174.94 175.52 1nfd n SER 27 N 3.91 1.53 0.00 3.58 7.64 0.40 -1.73 113.62 128.95 1nfd n SER 27 Ca 0.13 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1nfd n SER 27 Cb 0.39 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1nfd n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfd n GLY 28 N 1.83 2.94 3.76 0.23 0.00 -1.26 -4.85 105.19 107.83 1nfd n GLY 28 Ca 0.13 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1nfd n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nfd s HIS 29 N -0.37 2.93 -0.23 1.61 4.02 -0.70 -4.93 115.29 117.61 1nfd s HIS 29 Ca 0.00 1.12 -0.04 0.00 1.02 0.00 0.00 55.06 57.16 1nfd s HIS 29 Cb 0.00 -3.85 -0.13 0.00 -1.02 0.00 0.00 32.58 27.58 1nfd s HIS 29 CO 0.00 -2.62 -0.24 -1.13 1.02 0.00 0.00 174.74 171.77 1nfd n SER 30 N 1.63 2.04 -4.65 1.40 3.41 -1.15 -4.84 113.62 111.44 1nfd n SER 30 Ca 0.04 0.04 -0.43 0.00 -0.26 0.00 0.00 58.87 58.27 1nfd n SER 30 Cb 0.40 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 1nfd n SER 30 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1nfd s ASN 31 N -6.56 6.67 -0.06 4.04 3.84 -1.03 -3.18 114.94 118.66 1nfd s ASN 31 Ca -0.31 1.89 0.03 0.00 0.21 0.00 0.00 52.86 54.67 1nfd s ASN 31 Cb 0.10 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.27 1nfd s ASN 31 CO 0.48 -0.98 -0.13 -0.69 -2.79 0.00 0.00 177.10 172.99 1nfd s VAL 32 N 4.22 1.21 0.02 -5.21 1.01 0.15 -1.55 120.40 120.25 1nfd s VAL 32 Ca 0.67 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1nfd s VAL 32 Cb -0.27 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1nfd s VAL 32 CO 0.25 0.37 -0.09 0.54 0.00 0.00 0.00 175.10 176.17 1nfd s VAL 33 N 0.49 0.68 -0.14 2.92 0.11 -0.94 0.01 120.40 123.54 1nfd s VAL 33 Ca -0.12 -0.72 -0.04 0.00 -2.93 0.00 0.00 61.98 58.17 1nfd s VAL 33 Cb -0.14 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1nfd s VAL 33 CO 0.03 -0.06 0.01 0.26 -3.33 0.00 0.00 175.10 172.02 1nfd s TRP 34 N -0.72 3.16 0.20 1.54 0.52 -1.11 -1.54 118.94 120.99 1nfd s TRP 34 Ca -0.02 0.01 0.10 0.00 0.02 0.00 0.00 56.10 56.21 1nfd s TRP 34 Cb -0.06 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 1nfd s TRP 34 CO 0.00 0.22 -0.19 0.71 0.02 0.00 0.00 176.95 177.71 1nfd s TYR 35 N -0.11 2.01 -0.09 -1.98 2.02 -0.16 -2.75 117.35 116.29 1nfd s TYR 35 Ca 0.05 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1nfd s TYR 35 Cb -0.13 -0.96 0.02 0.00 -0.40 0.00 0.00 41.96 40.49 1nfd s TYR 35 CO 0.02 0.45 -0.10 -1.14 -1.57 0.00 0.00 175.55 173.20 1nfd s GLN 36 N -3.01 1.67 -0.25 -0.62 0.74 -0.83 -1.30 119.66 116.05 1nfd s GLN 36 Ca 0.21 -0.36 -0.08 0.00 0.05 0.00 0.00 55.36 55.18 1nfd s GLN 36 Cb -0.05 -1.53 -0.03 0.00 1.10 0.00 0.00 33.01 32.49 1nfd s GLN 36 CO 0.09 -0.12 0.08 -1.14 -0.55 0.00 0.00 175.29 173.66 1nfd s GLN 37 N 1.17 3.70 0.08 1.67 0.74 0.13 -1.64 119.66 125.52 1nfd s GLN 37 Ca -0.05 -0.45 0.06 0.00 0.05 0.00 0.00 55.36 54.97 1nfd s GLN 37 Cb -0.14 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 1nfd s GLN 37 CO -0.02 -0.17 -0.09 -0.08 -0.55 0.00 0.00 175.29 174.38 1nfd s THR 38 N 1.57 3.43 0.00 -0.34 -1.32 -1.25 -2.02 115.64 115.71 1nfd s THR 38 Ca 0.06 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 1nfd s THR 38 Cb -0.15 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.27 1nfd s THR 38 CO 0.04 0.19 0.00 -0.11 -2.21 0.00 0.00 174.62 172.53 1nfd n LEU 39 N 0.93 0.00 0.00 9.08 7.94 -1.26 -1.42 117.00 132.26 1nfd n LEU 39 Ca -0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 1nfd n LEU 39 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1nfd n LEU 39 CO 0.33 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.22 1nfd n GLY 40 N 0.17 1.65 1.12 -3.96 0.00 -1.26 -4.67 105.19 98.23 1nfd n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nfd n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nfd n LYS 41 N -2.00 0.00 -3.47 1.61 5.02 -0.51 -5.08 118.16 113.74 1nfd n LYS 41 Ca 0.00 0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 56.37 1nfd n LYS 41 Cb 0.00 -0.90 -0.12 0.00 -0.02 0.00 0.00 35.03 33.99 1nfd n LYS 41 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1nfd s GLU 42 N -0.40 0.53 -0.04 1.97 0.41 -1.23 -4.96 118.70 114.99 1nfd s GLU 42 Ca 0.00 -1.29 -0.33 0.00 -0.41 0.00 0.00 54.97 52.94 1nfd s GLU 42 Cb 0.00 -1.29 -0.11 0.00 -1.78 0.00 0.00 34.13 30.94 1nfd s GLU 42 CO 0.00 -1.20 1.89 1.28 -0.49 0.00 0.00 175.26 176.73 1nfd n LEU 43 N 4.10 3.61 -4.23 1.80 7.99 -1.26 -3.97 117.00 125.04 1nfd n LEU 43 Ca 0.11 0.96 -0.30 0.00 -0.01 0.00 0.00 56.01 56.77 1nfd n LEU 43 Cb 0.37 -1.41 -0.16 0.00 -0.11 0.00 0.00 43.42 42.10 1nfd n LEU 43 CO 0.14 0.00 -0.55 -0.75 -1.51 0.00 0.00 177.39 174.72 1nfd s LYS 44 N 3.94 2.47 -0.07 3.23 2.20 -0.65 -4.96 119.74 125.89 1nfd s LYS 44 Ca 0.91 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 55.38 1nfd s LYS 44 Cb -0.63 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 1nfd s LYS 44 CO 0.48 0.32 1.23 0.12 -0.36 0.00 0.00 175.35 177.14 1nfd s PHE 45 N -0.04 3.09 0.00 4.03 2.19 -1.26 -1.97 117.98 124.02 1nfd s PHE 45 Ca -0.06 1.14 0.00 0.00 0.33 0.00 0.00 56.93 58.34 1nfd s PHE 45 Cb -0.14 -3.46 0.00 0.00 -1.31 0.00 0.00 43.02 38.11 1nfd s PHE 45 CO 0.04 -1.49 0.00 1.28 1.83 0.00 0.00 175.22 176.89 1nfd n LEU 46 N 5.48 0.46 -3.72 6.12 4.77 -1.11 -3.08 117.00 125.92 1nfd n LEU 46 Ca 0.12 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 1nfd n LEU 46 Cb 0.46 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 1nfd n LEU 46 CO 0.56 -0.07 -0.00 -0.51 -1.33 0.00 0.00 177.39 176.03 1nfd s ILE 47 N -0.15 -0.02 0.05 -0.08 2.07 -1.26 -1.18 121.20 120.63 1nfd s ILE 47 Ca 0.00 0.07 0.05 0.00 -1.41 0.00 0.00 60.65 59.36 1nfd s ILE 47 Cb 0.00 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 1nfd s ILE 47 CO 0.00 0.03 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.39 1nfd s GLN 48 N 0.92 2.35 -0.03 3.50 0.74 -1.00 -2.76 119.66 123.38 1nfd s GLN 48 Ca -0.06 -0.86 0.04 0.00 0.05 0.00 0.00 55.36 54.52 1nfd s GLN 48 Cb -0.07 -2.40 -0.00 0.00 1.10 0.00 0.00 33.01 31.64 1nfd s GLN 48 CO -0.07 0.56 -0.14 -1.01 -0.55 0.00 0.00 175.29 174.08 1nfd s HIS 49 N -1.09 1.39 -0.15 1.67 3.76 0.10 -2.45 115.29 118.53 1nfd s HIS 49 Ca 0.19 -0.36 -0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1nfd s HIS 49 Cb -0.11 -0.94 0.03 0.00 1.11 0.00 0.00 32.58 32.67 1nfd s HIS 49 CO 0.10 -0.11 -0.07 -0.47 -0.85 0.00 0.00 174.74 173.34 1nfd s TYR 50 N -0.00 1.72 -0.51 1.40 5.04 -0.87 -0.67 117.35 123.45 1nfd s TYR 50 Ca -0.01 -1.00 -0.22 0.00 -2.44 0.00 0.00 57.07 53.39 1nfd s TYR 50 Cb -0.09 -1.34 0.03 0.00 0.35 0.00 0.00 41.96 40.91 1nfd s TYR 50 CO 0.01 -0.59 0.64 -1.91 -1.34 0.00 0.00 175.55 172.35 1nfd n GLU 51 N 4.88 -2.02 0.00 4.97 4.07 -1.19 -4.05 120.64 127.29 1nfd n GLU 51 Ca -0.13 1.66 0.00 0.00 -0.06 0.00 0.00 57.16 58.63 1nfd n GLU 51 Cb 0.49 -3.95 0.00 0.00 -0.06 0.00 0.00 31.44 27.92 1nfd n GLU 51 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1nfd n LYS 52 N -0.64 0.00 -1.91 5.31 4.81 -1.26 -4.50 118.16 119.97 1nfd n LYS 52 Ca -0.02 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.02 1nfd n LYS 52 Cb 0.58 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.62 1nfd n LYS 52 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1nfd n VAL 53 N 0.00 5.02 -3.87 3.15 0.31 -1.26 -4.82 118.33 116.86 1nfd n VAL 53 Ca 0.00 -4.05 -0.35 0.00 -0.01 0.00 0.00 64.34 59.93 1nfd n VAL 53 Cb 0.00 -2.18 -0.05 0.00 -0.91 0.00 0.00 33.84 30.69 1nfd n VAL 53 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1nfd s GLU 54 N -0.49 3.47 0.06 5.55 2.02 -1.26 -5.00 118.70 123.05 1nfd s GLU 54 Ca 0.55 -0.19 -0.04 0.00 0.02 0.00 0.00 54.97 55.32 1nfd s GLU 54 Cb 0.18 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 1nfd s GLU 54 CO -0.08 0.72 0.05 -0.98 0.02 0.00 0.00 175.26 174.99 1nfd s ARG 55 N -1.47 0.69 -0.25 1.61 1.70 -1.26 -2.06 118.95 117.91 1nfd s ARG 55 Ca 0.21 -1.13 -0.01 0.00 -0.47 0.00 0.00 55.73 54.33 1nfd s ARG 55 Cb -0.12 0.26 0.08 0.00 -0.57 0.00 0.00 34.95 34.59 1nfd s ARG 55 CO 0.11 -0.16 0.05 0.34 -1.08 0.00 0.00 175.30 174.56 1nfd s ASP 56 N -2.90 3.56 1.00 -2.89 -1.08 -1.02 -5.03 116.67 108.31 1nfd s ASP 56 Ca 0.06 -1.25 -0.12 0.00 -0.52 0.00 0.00 52.55 50.72 1nfd s ASP 56 Cb 0.07 -0.80 0.19 0.00 -1.46 0.00 0.00 42.92 40.93 1nfd s ASP 56 CO -0.10 -0.35 1.08 -1.59 0.52 0.00 0.00 175.17 174.73 1nfd s LYS 57 N 1.69 0.37 0.00 4.34 -2.85 -1.26 -2.38 119.74 119.64 1nfd s LYS 57 Ca 0.03 0.75 0.00 0.00 -1.00 0.00 0.00 55.97 55.76 1nfd s LYS 57 Cb -0.17 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.89 1nfd s LYS 57 CO -0.16 -2.83 0.00 0.41 0.10 0.00 0.00 175.35 172.87 1nfd n GLY 58 N -0.55 3.74 0.31 0.59 0.00 -0.33 -4.84 105.19 104.12 1nfd n GLY 58 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1nfd n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nfd n PHE 59 N 0.00 0.00 -1.77 1.61 3.72 -1.11 -4.84 117.46 115.07 1nfd n PHE 59 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1nfd n PHE 59 Cb 0.00 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 1nfd n PHE 59 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1nfd s LEU 60 N -0.38 3.90 0.16 4.37 2.96 -1.14 -4.90 118.68 123.66 1nfd s LEU 60 Ca 0.00 2.08 -0.34 0.00 -0.22 0.00 0.00 54.13 55.65 1nfd s LEU 60 Cb 0.00 -3.52 -0.14 0.00 0.50 0.00 0.00 46.19 43.03 1nfd s LEU 60 CO 0.00 -1.46 1.58 -2.65 -1.32 0.00 0.00 176.35 172.49 1nfd n PRO 61 N 8.05 2.16 -0.44 0.98 -0.02 -1.26 -4.86 135.00 139.61 1nfd n PRO 61 Ca 0.23 0.78 0.37 0.00 -2.02 0.00 0.00 63.50 62.86 1nfd n PRO 61 Cb 0.44 -2.55 0.69 0.00 -0.02 0.00 0.00 33.50 32.06 1nfd n PRO 61 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1nfd h SER 62 N 5.88 0.17 0.02 2.55 4.64 -1.98 1.18 113.55 126.01 1nfd h SER 62 Ca -0.45 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1nfd h SER 62 Cb 1.25 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1nfd h SER 62 CO 0.89 -0.04 -0.07 0.08 -0.87 0.00 0.00 176.83 176.81 1nfd h ARG 64 N 0.11 0.13 -5.31 4.77 0.11 -1.89 -3.39 114.38 108.91 1nfd h ARG 64 Ca 0.73 -0.02 -0.61 0.00 0.10 0.00 0.00 59.98 60.17 1nfd h ARG 64 Cb 2.51 -0.02 -0.13 0.00 1.11 0.00 0.00 29.97 33.44 1nfd h ARG 64 CO -0.20 0.21 -0.23 -0.06 0.10 0.00 0.00 179.97 179.79 1nfd s PHE 65 N -4.87 3.32 -0.23 4.08 0.08 0.41 -3.52 117.98 117.25 1nfd s PHE 65 Ca -0.05 0.52 -0.03 0.00 0.12 0.00 0.00 56.93 57.49 1nfd s PHE 65 Cb 0.16 -2.53 0.07 0.00 -0.57 0.00 0.00 43.02 40.16 1nfd s PHE 65 CO 0.70 -0.08 0.06 -1.54 -0.10 0.00 0.00 175.22 174.26 1nfd s SER 66 N 1.25 3.20 -0.02 1.36 1.04 -0.83 -4.62 113.70 115.09 1nfd s SER 66 Ca 0.17 -1.04 -0.02 0.00 0.48 0.00 0.00 55.95 55.54 1nfd s SER 66 Cb -0.15 -0.63 -0.04 0.00 0.10 0.00 0.00 66.02 65.31 1nfd s SER 66 CO 0.08 -0.34 0.13 0.68 0.98 0.00 0.00 173.24 174.77 1nfd s VAL 67 N 1.83 5.09 0.03 5.02 -7.23 -1.26 -3.27 120.40 120.61 1nfd s VAL 67 Ca 0.02 -0.25 -0.01 0.00 -1.81 0.00 0.00 61.98 59.93 1nfd s VAL 67 Cb -0.17 -3.34 -0.03 0.00 0.56 0.00 0.00 36.38 33.40 1nfd s VAL 67 CO -0.14 0.36 -0.02 0.00 -0.31 0.00 0.00 175.10 174.99 1nfd s GLN 68 N -1.76 0.43 0.31 4.82 0.00 -1.17 -5.01 119.66 117.28 1nfd s GLN 68 Ca 0.24 -0.83 0.02 0.00 -0.00 0.00 0.00 55.36 54.79 1nfd s GLN 68 Cb -0.12 0.15 -0.03 0.00 0.00 0.00 0.00 33.01 33.01 1nfd s GLN 68 CO 0.15 -0.08 0.49 -0.65 0.00 0.00 0.00 175.29 175.20 1nfd s GLN 69 N -2.40 3.47 0.27 9.60 -0.21 -1.26 -2.88 119.66 126.25 1nfd s GLN 69 Ca -0.07 -0.46 0.01 0.00 0.02 0.00 0.00 55.36 54.86 1nfd s GLN 69 Cb -0.03 -2.73 0.01 0.00 1.00 0.00 0.00 33.01 31.25 1nfd s GLN 69 CO -0.04 0.23 0.06 1.19 -2.12 0.00 0.00 175.29 174.61 1nfd n PHE 70 N -1.66 0.20 -0.02 0.91 3.01 0.30 -4.75 117.46 115.44 1nfd n PHE 70 Ca -0.06 -1.30 -0.12 0.00 1.01 0.00 0.00 57.45 56.98 1nfd n PHE 70 Cb 0.56 -0.19 -0.08 0.00 -0.01 0.00 0.00 39.48 39.76 1nfd n PHE 70 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1nfd h ASP 71 N 0.57 0.13 0.34 4.37 3.32 -2.00 -2.03 116.42 121.11 1nfd h ASP 71 Ca -0.21 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1nfd h ASP 71 Cb 0.67 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1nfd h ASP 71 CO 0.35 0.47 0.00 -0.90 -1.72 0.00 0.00 179.24 177.44 1nfd n ASP 72 N -4.82 0.00 0.00 6.45 5.75 -1.26 -4.80 116.55 117.88 1nfd n ASP 72 Ca -0.07 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1nfd n ASP 72 Cb 0.23 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1nfd n ASP 72 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1nfd n TYR 73 N -1.39 0.00 -1.91 2.11 4.02 -0.76 -4.98 117.16 114.25 1nfd n TYR 73 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 1nfd n TYR 73 Cb 0.13 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 1nfd n TYR 73 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1nfd s HIS 74 N -2.21 3.03 -0.07 -0.72 5.65 -1.26 -4.54 115.29 115.17 1nfd s HIS 74 Ca 0.00 0.59 0.03 0.00 0.25 0.00 0.00 55.06 55.93 1nfd s HIS 74 Cb 0.00 -3.95 0.01 0.00 -1.18 0.00 0.00 32.58 27.46 1nfd s HIS 74 CO 0.00 -3.52 -0.15 -1.54 -0.65 0.00 0.00 174.74 168.88 1nfd s SER 75 N 1.18 2.08 0.16 9.88 1.04 -0.80 -0.54 113.70 126.71 1nfd s SER 75 Ca 0.71 -0.36 0.11 0.00 0.48 0.00 0.00 55.95 56.88 1nfd s SER 75 Cb -0.44 -0.91 -0.04 0.00 0.10 0.00 0.00 66.02 64.72 1nfd s SER 75 CO 0.31 0.07 -0.22 -1.61 0.98 0.00 0.00 173.24 172.78 1nfd s GLU 76 N 0.52 1.59 -0.30 4.02 2.02 -1.14 -0.88 118.70 124.52 1nfd s GLU 76 Ca -0.14 -1.40 -0.04 0.00 0.02 0.00 0.00 54.97 53.41 1nfd s GLU 76 Cb -0.16 -1.94 0.04 0.00 0.10 0.00 0.00 34.13 32.17 1nfd s GLU 76 CO 0.05 0.43 0.03 1.41 0.02 0.00 0.00 175.26 177.19 1nfd s MET 77 N -2.45 2.67 -0.49 1.61 -2.45 0.85 -3.07 119.30 115.96 1nfd s MET 77 Ca 0.19 -1.12 -0.28 0.00 -1.25 0.00 0.00 55.69 53.24 1nfd s MET 77 Cb -0.09 -3.25 0.03 0.00 1.25 0.00 0.00 34.83 32.77 1nfd s MET 77 CO 0.09 -0.56 1.09 1.21 1.05 0.00 0.00 175.02 177.90 1nfd s ASN 78 N 1.35 6.57 -0.23 1.11 3.84 -1.20 -0.12 114.94 126.25 1nfd s ASN 78 Ca -0.02 0.31 -0.10 0.00 0.21 0.00 0.00 52.86 53.26 1nfd s ASN 78 Cb -0.19 -2.52 -0.05 0.00 -0.55 0.00 0.00 41.25 37.95 1nfd s ASN 78 CO -0.00 -1.24 0.13 -0.04 -2.79 0.00 0.00 177.10 173.17 1nfd s MET 79 N 4.34 4.01 0.03 0.43 -1.94 0.54 -1.96 119.30 124.75 1nfd s MET 79 Ca 0.44 -0.31 0.02 0.00 -1.71 0.00 0.00 55.69 54.13 1nfd s MET 79 Cb -0.08 -3.46 -0.02 0.00 2.01 0.00 0.00 34.83 33.28 1nfd s MET 79 CO 0.29 0.07 -0.07 -1.12 -0.01 0.00 0.00 175.02 174.19 1nfd s SER 80 N 1.00 0.73 -1.24 3.03 0.01 -1.23 -1.22 113.70 114.78 1nfd s SER 80 Ca 0.07 -0.46 -0.01 0.00 1.31 0.00 0.00 55.95 56.85 1nfd s SER 80 Cb -0.13 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1nfd s SER 80 CO 0.04 -0.17 0.98 0.00 0.41 0.00 0.00 173.24 174.50 1nfd n ALA 81 N 1.76 -1.92 -1.74 1.44 0.00 -0.93 -4.71 120.51 114.41 1nfd n ALA 81 Ca -0.21 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 1nfd n ALA 81 Cb 0.55 -2.75 0.01 0.00 0.00 0.00 0.00 19.45 17.26 1nfd n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nfd n LEU 82 N -4.26 4.42 -4.12 0.00 4.77 -0.75 -4.61 117.00 112.45 1nfd n LEU 82 Ca -0.25 1.17 -0.17 0.00 -0.03 0.00 0.00 56.01 56.73 1nfd n LEU 82 Cb 0.66 -1.56 -0.12 0.00 -2.33 0.00 0.00 43.42 40.07 1nfd n LEU 82 CO 0.63 -0.24 -0.44 -1.61 -1.33 0.00 0.00 177.39 174.40 1nfd s GLU 83 N -2.16 0.72 0.55 3.23 2.02 -1.26 -1.65 118.70 120.15 1nfd s GLU 83 Ca 0.57 -0.83 0.43 0.00 0.02 0.00 0.00 54.97 55.16 1nfd s GLU 83 Cb -0.50 -0.64 1.63 0.00 0.10 0.00 0.00 34.13 34.72 1nfd s GLU 83 CO 0.61 0.14 1.70 -0.07 0.02 0.00 0.00 175.26 177.65 1nfd h LEU 84 N 4.53 0.00 -0.98 1.80 3.38 -1.92 1.28 115.31 123.40 1nfd h LEU 84 Ca -0.38 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1nfd h LEU 84 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1nfd h LEU 84 CO 0.41 0.00 -0.30 -0.33 0.09 0.00 0.00 178.44 178.31 1nfd h GLU 85 N 0.00 0.38 0.00 1.13 4.39 -1.95 -2.52 114.58 116.01 1nfd h GLU 85 Ca 0.73 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 60.28 1nfd h GLU 85 Cb 2.94 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 31.57 1nfd h GLU 85 CO -0.01 0.64 0.00 -0.25 -1.16 0.00 0.00 179.01 178.24 1nfd n ASP 86 N -4.10 0.00 -4.60 1.42 8.00 0.44 -4.69 116.55 113.02 1nfd n ASP 86 Ca -0.01 0.03 -0.43 0.00 0.71 0.00 0.00 54.79 55.10 1nfd n ASP 86 Cb 0.42 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1nfd n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nfd s SER 87 N -2.51 5.50 0.00 -2.24 0.01 -0.95 -4.84 113.70 108.67 1nfd s SER 87 Ca 0.14 1.69 0.00 0.00 1.31 0.00 0.00 55.95 59.09 1nfd s SER 87 Cb 0.09 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1nfd s SER 87 CO 0.20 -1.96 0.00 0.00 0.41 0.00 0.00 173.24 171.90 1nfd n ALA 88 N 11.60 0.00 -3.91 1.44 0.00 -1.07 -4.80 120.51 123.76 1nfd n ALA 88 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 1nfd n ALA 88 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 1nfd n ALA 88 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nfd s MET 89 N 0.55 1.29 -0.70 0.00 -1.94 -0.86 -2.81 119.30 114.82 1nfd s MET 89 Ca 0.00 -1.42 -0.19 0.00 -1.71 0.00 0.00 55.69 52.37 1nfd s MET 89 Cb 0.00 -2.68 0.12 0.00 2.01 0.00 0.00 34.83 34.28 1nfd s MET 89 CO 0.00 -0.87 0.85 0.71 -0.01 0.00 0.00 175.02 175.69 1nfd s TYR 90 N 1.24 3.06 0.38 -0.03 2.02 -0.69 -0.69 117.35 122.64 1nfd s TYR 90 Ca 0.06 -1.12 -0.11 0.00 -0.37 0.00 0.00 57.07 55.53 1nfd s TYR 90 Cb -0.18 -4.10 -0.07 0.00 -0.40 0.00 0.00 41.96 37.21 1nfd s TYR 90 CO -0.13 -1.36 0.75 -0.06 -1.57 0.00 0.00 175.55 173.18 1nfd s PHE 91 N 2.60 3.45 -0.11 2.71 0.08 -0.42 -2.10 117.98 124.18 1nfd s PHE 91 Ca 0.18 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1nfd s PHE 91 Cb -0.17 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 39.85 1nfd s PHE 91 CO 0.02 -0.04 -0.10 0.00 -0.10 0.00 0.00 175.22 174.99 1nfd s ALA 93 N 1.51 3.23 0.09 0.00 0.00 -0.59 0.11 121.76 126.12 1nfd s ALA 93 Ca 0.02 -1.55 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 1nfd s ALA 93 Cb -0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1nfd s ALA 93 CO -0.07 0.32 0.06 0.45 0.00 0.00 0.00 175.76 176.52 1nfd s SER 94 N -3.52 0.33 0.01 0.00 0.15 0.30 -2.22 113.70 108.75 1nfd s SER 94 Ca 0.31 -1.00 -0.29 0.00 0.70 0.00 0.00 55.95 55.66 1nfd s SER 94 Cb -0.07 0.27 0.10 0.00 -1.71 0.00 0.00 66.02 64.61 1nfd s SER 94 CO 0.20 -0.69 1.01 -0.94 1.20 0.00 0.00 173.24 174.02 1nfd s SER 95 N -2.96 -0.24 0.08 5.45 1.04 -0.60 0.68 113.70 117.16 1nfd s SER 95 Ca 0.13 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1nfd s SER 95 Cb 0.07 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1nfd s SER 95 CO -0.05 -0.59 0.00 -0.11 0.98 0.00 0.00 173.24 173.46 1nfd n LEU 96 N -0.31 0.00 -2.36 2.42 7.94 -1.26 -2.46 117.00 120.97 1nfd n LEU 96 Ca -0.06 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.62 1nfd n LEU 96 Cb 0.61 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.58 1nfd n LEU 96 CO 0.11 -0.05 -0.81 0.54 -1.11 0.00 0.00 177.39 176.08 1nfd n ARG 97 N -0.10 0.00 -1.59 1.96 5.12 -1.26 -4.52 116.66 116.27 1nfd n ARG 97 Ca 0.00 0.00 -0.52 0.00 -1.93 0.00 0.00 57.85 55.40 1nfd n ARG 97 Cb 0.00 -0.59 -0.06 0.00 -1.16 0.00 0.00 32.46 30.65 1nfd n ARG 97 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 1nfd n TRP 98 N -1.49 1.94 0.00 -1.55 5.03 -1.26 -3.60 117.44 116.50 1nfd n TRP 98 Ca -0.01 0.27 0.00 0.00 3.03 0.00 0.00 57.50 60.79 1nfd n TRP 98 Cb 0.33 -2.55 0.00 0.00 -1.03 0.00 0.00 31.31 28.06 1nfd n TRP 98 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1nfd n GLY 99 N 5.29 0.76 3.28 6.99 0.00 -1.26 -5.11 105.19 115.14 1nfd n GLY 99 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 1nfd n GLY 99 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nfd s ASP 100 N -1.97 3.53 0.00 1.61 -1.08 -1.24 -4.99 116.67 112.53 1nfd s ASP 100 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 1nfd s ASP 100 Cb 0.00 -1.51 0.00 0.00 -1.46 0.00 0.00 42.92 39.95 1nfd s ASP 100 CO 0.00 0.15 0.00 -1.84 0.52 0.00 0.00 175.17 174.00 1nfd n GLU 105 N 3.64 0.00 -2.93 4.34 0.28 -1.26 -4.24 120.64 120.47 1nfd n GLU 105 Ca -0.19 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.55 1nfd n GLU 105 Cb 0.53 -0.16 -0.01 0.00 1.43 0.00 0.00 31.44 33.23 1nfd n GLU 105 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1nfd s GLN 106 N 0.00 3.53 -0.16 3.44 -0.21 -1.26 -4.61 119.66 120.39 1nfd s GLN 106 Ca 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 55.36 55.37 1nfd s GLN 106 Cb 0.00 -2.49 0.05 0.00 1.00 0.00 0.00 33.01 31.57 1nfd s GLN 106 CO 0.00 -0.06 0.01 0.71 -2.12 0.00 0.00 175.29 173.82 1nfd s TYR 107 N -2.56 1.11 0.18 0.91 2.02 0.21 -4.87 117.35 114.35 1nfd s TYR 107 Ca 0.45 -0.74 -0.30 0.00 -0.37 0.00 0.00 57.07 56.11 1nfd s TYR 107 Cb -0.10 -1.04 -0.08 0.00 -0.40 0.00 0.00 41.96 40.34 1nfd s TYR 107 CO 0.41 -0.54 0.94 -0.06 -1.57 0.00 0.00 175.55 174.72 1nfd s PHE 108 N 1.83 3.91 0.93 2.71 0.40 -1.26 -0.54 117.98 125.95 1nfd s PHE 108 Ca 0.01 1.85 -0.14 0.00 -0.60 0.00 0.00 56.93 58.05 1nfd s PHE 108 Cb -0.15 -2.99 0.19 0.00 0.51 0.00 0.00 43.02 40.57 1nfd s PHE 108 CO -0.07 0.36 1.28 0.20 0.70 0.00 0.00 175.22 177.69 1nfd s GLY 109 N -0.70 1.77 0.61 4.36 0.00 0.29 -4.85 107.32 108.80 1nfd s GLY 109 Ca 0.43 -1.25 0.31 0.00 0.00 0.00 0.00 44.72 44.21 1nfd s GLY 109 CO 0.31 -0.52 2.13 -2.55 0.00 0.00 0.00 173.10 172.46 1nfd h PRO 110 N -1.48 0.00 0.00 2.90 0.11 -1.88 -3.42 132.00 128.23 1nfd h PRO 110 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1nfd h PRO 110 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1nfd h PRO 110 CO 0.39 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.59 1nfd n GLY 111 N -1.34 -1.76 3.17 -0.55 0.00 -1.26 -4.95 105.19 98.50 1nfd n GLY 111 Ca 0.00 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 1nfd n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nfd s THR 112 N -3.51 3.25 -0.54 2.61 2.01 -0.89 -4.49 115.64 114.08 1nfd s THR 112 Ca 0.00 -1.63 -0.21 0.00 0.31 0.00 0.00 61.69 60.17 1nfd s THR 112 Cb 0.00 -3.02 0.06 0.00 0.01 0.00 0.00 72.50 69.55 1nfd s THR 112 CO 0.00 -0.37 0.75 -0.60 -0.69 0.00 0.00 174.62 173.71 1nfd s ARG 113 N 1.23 3.16 -0.06 4.92 3.00 -1.01 -1.70 118.95 128.49 1nfd s ARG 113 Ca 0.01 -0.79 -0.03 0.00 -1.00 0.00 0.00 55.73 53.92 1nfd s ARG 113 Cb -0.21 -4.12 -0.04 0.00 0.00 0.00 0.00 34.95 30.58 1nfd s ARG 113 CO -0.02 -1.39 0.09 -1.17 0.00 0.00 0.00 175.30 172.81 1nfd s LEU 114 N 3.11 4.00 -0.20 -0.88 0.20 -1.12 -2.28 118.68 121.51 1nfd s LEU 114 Ca 0.19 0.26 -0.01 0.00 0.69 0.00 0.00 54.13 55.26 1nfd s LEU 114 Cb -0.18 -2.13 0.05 0.00 -0.43 0.00 0.00 46.19 43.50 1nfd s LEU 114 CO 0.13 0.34 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.60 1nfd s THR 115 N -1.08 1.14 -0.19 3.68 2.01 0.16 -2.61 115.64 118.76 1nfd s THR 115 Ca 0.19 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 1nfd s THR 115 Cb -0.12 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 1nfd s THR 115 CO 0.08 -0.04 0.44 -0.69 -0.69 0.00 0.00 174.62 173.72 1nfd s VAL 116 N 1.59 5.18 0.34 3.82 1.01 -1.26 -1.59 120.40 129.49 1nfd s VAL 116 Ca -0.02 0.80 0.09 0.00 0.00 0.00 0.00 61.98 62.85 1nfd s VAL 116 Cb -0.17 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1nfd s VAL 116 CO -0.07 0.25 -0.08 -0.76 0.00 0.00 0.00 175.10 174.44 1nfd s LEU 116 N 1.25 2.78 -0.07 3.92 1.43 0.13 -4.23 118.68 123.90 1nfd s LEU 116 Ca 0.21 -1.15 -0.16 0.00 -1.03 0.00 0.00 54.13 52.00 1nfd s LEU 116 Cb -0.15 -1.08 -0.12 0.00 0.03 0.00 0.00 46.19 44.88 1nfd s LEU 116 CO 0.09 -0.20 0.64 -0.33 0.23 0.00 0.00 176.35 176.77 1nfd h GLU 117 N 1.99 -0.22 -4.97 1.70 5.08 -1.95 -1.96 114.58 114.25 1nfd h GLU 117 Ca -0.42 0.01 -0.67 0.00 -1.00 0.00 0.00 59.36 57.29 1nfd h GLU 117 Cb 1.25 0.05 -0.31 0.00 0.50 0.00 0.00 28.75 30.24 1nfd h GLU 117 CO 0.69 0.12 -0.77 0.34 -1.00 0.00 0.00 179.01 178.40 1nfd s ASP 118 N -5.44 4.04 0.08 1.42 2.15 -1.26 -4.53 116.67 113.13 1nfd s ASP 118 Ca -0.10 -0.68 -0.22 0.00 0.43 0.00 0.00 52.55 51.99 1nfd s ASP 118 Cb 0.00 -1.64 -0.12 0.00 -0.30 0.00 0.00 42.92 40.86 1nfd s ASP 118 CO 0.35 -0.07 1.62 -0.07 -0.17 0.00 0.00 175.17 176.83 1nfd h LEU 119 N 8.02 0.15 -0.11 -1.34 4.07 -1.92 -2.04 115.31 122.15 1nfd h LEU 119 Ca -0.38 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.42 1nfd h LEU 119 Cb 1.13 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1nfd h LEU 119 CO 0.60 0.27 0.68 0.54 -1.08 0.00 0.00 178.44 179.44 1nfd n ARG 120 N -4.91 0.02 0.03 1.13 3.00 -1.26 0.21 116.66 114.87 1nfd n ARG 120 Ca -0.05 0.47 0.13 0.00 -0.01 0.00 0.00 57.85 58.38 1nfd n ARG 120 Cb 0.11 -2.25 0.45 0.00 0.00 0.00 0.00 32.46 30.77 1nfd n ARG 120 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1nfd n ASN 121 N -1.76 0.34 -4.77 0.55 3.02 -0.76 -4.84 115.26 107.04 1nfd n ASN 121 Ca -0.00 0.31 -0.37 0.00 -0.03 0.00 0.00 54.58 54.49 1nfd n ASN 121 Cb 0.68 -0.32 -0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1nfd n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nfd s VAL 122 N -3.04 3.04 -0.28 2.41 1.01 0.55 -4.63 120.40 119.46 1nfd s VAL 122 Ca 0.12 0.73 -0.22 0.00 0.00 0.00 0.00 61.98 62.62 1nfd s VAL 122 Cb 0.17 -3.35 0.13 0.00 0.00 0.00 0.00 36.38 33.33 1nfd s VAL 122 CO 0.60 -0.05 1.02 0.42 0.00 0.00 0.00 175.10 177.08 1nfd s THR 123 N -1.59 0.00 1.10 3.92 -4.23 -1.26 -4.87 115.64 108.70 1nfd s THR 123 Ca 0.67 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.06 1nfd s THR 123 Cb -0.28 -1.00 0.25 0.00 1.34 0.00 0.00 72.50 72.81 1nfd s THR 123 CO 0.33 0.00 1.05 -2.16 -0.54 0.00 0.00 174.62 173.31 1nfd s PRO 124 N 0.63 -0.41 0.49 3.99 0.04 -1.26 -2.77 135.00 135.71 1nfd s PRO 124 Ca -0.01 0.91 0.03 0.00 0.04 0.00 0.00 61.00 61.97 1nfd s PRO 124 Cb -0.05 -1.61 0.09 0.00 0.04 0.00 0.00 34.50 32.98 1nfd s PRO 124 CO -0.10 -3.40 0.67 -0.35 0.04 0.00 0.00 177.00 173.86 1nfd n PRO 125 N -4.70 0.38 -3.81 0.56 -0.04 -1.26 -4.25 135.00 121.88 1nfd n PRO 125 Ca 0.05 -2.17 -0.30 0.00 -0.04 0.00 0.00 63.50 61.04 1nfd n PRO 125 Cb 0.54 -0.34 -0.15 0.00 -0.04 0.00 0.00 33.50 33.51 1nfd n PRO 125 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1nfd s LYS 126 N -4.19 0.98 0.09 0.54 3.01 -0.90 -4.90 119.74 114.38 1nfd s LYS 126 Ca 0.47 -1.04 -0.29 0.00 -1.01 0.00 0.00 55.97 54.11 1nfd s LYS 126 Cb -0.03 -2.28 -0.06 0.00 -1.01 0.00 0.00 37.83 34.46 1nfd s LYS 126 CO 0.31 -0.84 0.93 0.08 0.51 0.00 0.00 175.35 176.34 1nfd s VAL 127 N 1.53 4.56 -0.03 3.17 1.01 -1.26 -2.04 120.40 127.33 1nfd s VAL 127 Ca 0.05 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.03 1nfd s VAL 127 Cb -0.18 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.94 1nfd s VAL 127 CO -0.16 0.32 0.01 -0.44 0.00 0.00 0.00 175.10 174.82 1nfd s SER 128 N 0.04 0.59 -0.39 3.32 0.01 -1.24 -4.76 113.70 111.27 1nfd s SER 128 Ca 0.46 -0.02 -0.15 0.00 1.31 0.00 0.00 55.95 57.55 1nfd s SER 128 Cb -0.23 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.78 1nfd s SER 128 CO 0.29 -0.12 0.31 -0.22 0.41 0.00 0.00 173.24 173.91 1nfd s LEU 129 N 1.20 4.89 -0.36 2.44 2.96 -1.26 -2.35 118.68 126.21 1nfd s LEU 129 Ca -0.07 -0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 52.98 1nfd s LEU 129 Cb -0.13 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 1nfd s LEU 129 CO -0.02 -0.41 0.34 -0.36 -1.32 0.00 0.00 176.35 174.57 1nfd s PHE 130 N 1.78 3.21 0.82 5.38 0.40 0.22 -5.02 117.98 124.77 1nfd s PHE 130 Ca 0.07 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.13 1nfd s PHE 130 Cb -0.18 -2.65 0.09 0.00 0.51 0.00 0.00 43.02 40.79 1nfd s PHE 130 CO 0.11 -0.46 1.12 -1.21 0.70 0.00 0.00 175.22 175.48 1nfd s GLU 131 N 1.93 1.81 0.83 0.44 2.02 -1.26 -1.54 118.70 122.93 1nfd s GLU 131 Ca 0.10 1.37 -0.13 0.00 0.02 0.00 0.00 54.97 56.34 1nfd s GLU 131 Cb -0.17 -1.83 0.20 0.00 0.10 0.00 0.00 34.13 32.42 1nfd s GLU 131 CO 0.11 -2.01 0.44 -2.30 0.02 0.00 0.00 175.26 171.53 1nfd n PRO 132 N -3.66 -2.56 -4.83 0.39 -0.02 -1.25 -4.77 135.00 118.31 1nfd n PRO 132 Ca 0.11 -0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 60.52 1nfd n PRO 132 Cb 0.52 -1.12 -0.14 0.00 -0.02 0.00 0.00 33.50 32.74 1nfd n PRO 132 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1nfd s SER 133 N -2.32 3.94 0.33 2.55 1.04 -1.26 -5.00 113.70 112.97 1nfd s SER 133 Ca 0.34 -0.33 0.10 0.00 0.48 0.00 0.00 55.95 56.54 1nfd s SER 133 Cb -0.06 -1.49 0.87 0.00 0.10 0.00 0.00 66.02 65.45 1nfd s SER 133 CO 0.29 0.19 1.75 0.11 0.98 0.00 0.00 173.24 176.55 1nfd h LYS 134 N 6.52 0.59 0.22 4.02 6.56 -1.97 -1.87 116.57 130.63 1nfd h LYS 134 Ca -0.28 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.27 1nfd h LYS 134 Cb 1.21 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1nfd h LYS 134 CO 0.54 0.39 -0.12 0.00 -2.06 0.00 0.00 179.45 178.21 1nfd h ALA 135 N 1.69 -1.03 -0.85 3.86 0.00 -1.98 -2.29 119.26 118.67 1nfd h ALA 135 Ca 0.62 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.63 1nfd h ALA 135 Cb 1.17 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 18.98 1nfd h ALA 135 CO -0.43 -1.02 -0.22 -1.91 0.00 0.00 0.00 179.25 175.68 1nfd n GLU 136 N -2.91 -0.09 -0.19 0.00 2.13 -0.77 0.35 120.64 119.16 1nfd n GLU 136 Ca -0.04 1.32 -0.04 0.00 0.66 0.00 0.00 57.16 59.07 1nfd n GLU 136 Cb 0.12 -1.97 0.07 0.00 0.27 0.00 0.00 31.44 29.93 1nfd n GLU 136 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1nfd h ILE 137 N 0.00 0.96 0.44 6.31 5.03 -1.09 -0.06 117.51 129.09 1nfd h ILE 137 Ca 0.40 -0.19 -0.02 0.00 -0.12 0.00 0.00 64.86 64.92 1nfd h ILE 137 Cb 0.61 0.35 0.00 0.00 -3.03 0.00 0.00 36.82 34.75 1nfd h ILE 137 CO -0.87 0.10 -0.21 0.00 -0.68 0.00 0.00 178.15 176.49 1nfd h ALA 138 N 1.30 -0.62 0.27 1.87 0.00 0.49 -2.28 119.26 120.29 1nfd h ALA 138 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nfd h ALA 138 Cb 0.14 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1nfd h ALA 138 CO -0.16 -0.57 -0.13 -0.91 0.00 0.00 0.00 179.25 177.47 1nfd h ASN 139 N -1.11 -0.31 1.16 0.00 4.21 -0.92 -3.29 115.58 115.33 1nfd h ASN 139 Ca -0.06 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.46 1nfd h ASN 139 Cb 0.45 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1nfd h ASN 139 CO 0.10 -0.22 -0.07 0.29 -1.29 0.00 0.00 177.43 176.24 1nfd n LYS 140 N -2.98 0.13 -3.34 0.81 5.02 -0.10 -4.93 118.16 112.77 1nfd n LYS 140 Ca -0.05 0.10 -0.18 0.00 -2.02 0.00 0.00 58.31 56.16 1nfd n LYS 140 Cb 0.14 -1.64 0.07 0.00 -0.02 0.00 0.00 35.03 33.58 1nfd n LYS 140 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1nfd n GLN 141 N -1.86 -6.20 -3.90 1.97 1.13 -0.83 -4.99 117.38 102.69 1nfd n GLN 141 Ca 0.06 0.67 -0.09 0.00 -1.94 0.00 0.00 57.00 55.70 1nfd n GLN 141 Cb 0.38 -5.20 -0.08 0.00 0.11 0.00 0.00 30.24 25.45 1nfd n GLN 141 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1nfd s LYS 142 N -5.89 0.77 -0.19 -1.09 1.02 -1.22 -3.70 119.74 109.45 1nfd s LYS 142 Ca 0.39 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1nfd s LYS 142 Cb -0.17 0.31 0.04 0.00 -0.52 0.00 0.00 37.83 37.49 1nfd s LYS 142 CO 0.58 -0.22 -0.08 0.00 -0.92 0.00 0.00 175.35 174.71 1nfd s ALA 143 N -3.66 1.81 -0.39 5.17 0.00 -0.37 -2.53 121.76 121.79 1nfd s ALA 143 Ca 0.04 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.82 1nfd s ALA 143 Cb 0.04 -1.23 0.05 0.00 0.00 0.00 0.00 23.12 21.99 1nfd s ALA 143 CO -0.10 -0.82 0.23 0.99 0.00 0.00 0.00 175.76 176.07 1nfd s THR 144 N 1.48 4.45 -0.32 0.00 2.01 -1.26 -1.84 115.64 120.16 1nfd s THR 144 Ca -0.01 -1.07 -0.23 0.00 0.31 0.00 0.00 61.69 60.69 1nfd s THR 144 Cb -0.16 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1nfd s THR 144 CO -0.08 -0.35 0.75 -0.76 -0.69 0.00 0.00 174.62 173.50 1nfd s LEU 145 N 1.51 4.12 -0.17 4.42 1.43 0.16 -3.77 118.68 126.37 1nfd s LEU 145 Ca 0.02 0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 53.51 1nfd s LEU 145 Cb -0.21 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 1nfd s LEU 145 CO 0.05 -0.63 0.24 -0.69 0.23 0.00 0.00 176.35 175.56 1nfd s VAL 146 N 2.93 5.34 -0.07 -1.59 1.01 -0.59 -0.78 120.40 126.65 1nfd s VAL 146 Ca 0.31 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.76 1nfd s VAL 146 Cb -0.14 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1nfd s VAL 146 CO 0.14 0.40 -0.20 0.00 0.00 0.00 0.00 175.10 175.45 1nfd s LEU 148 N -0.20 1.36 0.03 0.00 2.96 -0.99 -0.22 118.68 121.62 1nfd s LEU 148 Ca -0.01 -1.77 -0.30 0.00 -0.22 0.00 0.00 54.13 51.82 1nfd s LEU 148 Cb -0.13 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 1nfd s LEU 148 CO 0.03 -0.38 1.11 0.00 -1.32 0.00 0.00 176.35 175.80 1nfd s ALA 149 N 1.50 3.31 0.35 5.97 0.00 0.49 -3.64 121.76 129.73 1nfd s ALA 149 Ca 0.13 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1nfd s ALA 149 Cb -0.19 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 1nfd s ALA 149 CO -0.20 -0.39 0.04 0.54 0.00 0.00 0.00 175.76 175.76 1nfd n ARG 150 N 4.03 0.93 -1.38 0.00 1.74 -0.86 -0.76 116.66 120.36 1nfd n ARG 150 Ca 0.08 -2.66 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 1nfd n ARG 150 Cb 0.48 0.99 0.00 0.00 -1.02 0.00 0.00 32.46 32.91 1nfd n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nfd n GLY 151 N 0.33 0.00 3.05 -0.13 0.00 -0.91 -2.11 105.19 105.42 1nfd n GLY 151 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1nfd n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nfd s PHE 152 N -0.66 0.45 0.00 1.61 -0.12 -1.16 -4.36 117.98 113.74 1nfd s PHE 152 Ca 0.00 -0.85 0.00 0.00 -0.05 0.00 0.00 56.93 56.03 1nfd s PHE 152 Cb 0.00 -0.32 0.00 0.00 -0.63 0.00 0.00 43.02 42.07 1nfd s PHE 152 CO 0.00 -0.29 0.00 0.34 -0.05 0.00 0.00 175.22 175.22 1nfd n PHE 153 N 0.68 0.00 -1.43 3.49 7.35 -1.11 0.81 117.46 127.24 1nfd n PHE 153 Ca -0.18 0.00 -0.48 0.00 -0.76 0.00 0.00 57.45 56.03 1nfd n PHE 153 Cb 0.59 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.32 1nfd n PHE 153 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1nfd n PRO 154 N 0.00 0.58 0.00 -7.13 -0.04 -1.26 -4.54 135.00 122.61 1nfd n PRO 154 Ca 0.00 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1nfd n PRO 154 Cb 0.00 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1nfd n PRO 154 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nfd n ASP 155 N 10.40 0.00 -2.58 3.54 5.68 -1.26 -4.34 116.55 127.99 1nfd n ASP 155 Ca 0.50 -0.65 -0.28 0.00 -0.50 0.00 0.00 54.79 53.86 1nfd n ASP 155 Cb 0.17 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.09 1nfd n ASP 155 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1nfd n HIS 156 N 1.63 1.61 -4.14 2.11 8.25 -1.26 -4.94 115.22 118.49 1nfd n HIS 156 Ca 0.00 -2.02 -0.23 0.00 -0.26 0.00 0.00 57.72 55.21 1nfd n HIS 156 Cb 0.00 -1.45 -0.07 0.00 1.12 0.00 0.00 29.99 29.59 1nfd n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1nfd s VAL 157 N -1.89 2.89 -0.32 1.59 -7.23 -1.26 -2.29 120.40 111.90 1nfd s VAL 157 Ca 0.59 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1nfd s VAL 157 Cb 0.36 -2.95 0.16 0.00 0.56 0.00 0.00 36.38 34.51 1nfd s VAL 157 CO -0.19 -0.17 0.43 -1.61 -0.31 0.00 0.00 175.10 173.25 1nfd s GLU 158 N -3.83 0.51 0.38 4.82 2.02 -0.40 -4.97 118.70 117.23 1nfd s GLU 158 Ca 0.38 -0.12 -0.26 0.00 0.02 0.00 0.00 54.97 54.99 1nfd s GLU 158 Cb -0.02 -0.34 -0.09 0.00 0.10 0.00 0.00 34.13 33.79 1nfd s GLU 158 CO 0.22 -1.09 1.15 -1.17 0.02 0.00 0.00 175.26 174.39 1nfd s LEU 159 N 2.24 4.25 0.00 1.80 0.20 -1.26 -1.73 118.68 124.18 1nfd s LEU 159 Ca 0.12 2.30 0.00 0.00 0.69 0.00 0.00 54.13 57.24 1nfd s LEU 159 Cb -0.12 -3.98 -0.00 0.00 -0.43 0.00 0.00 46.19 41.66 1nfd s LEU 159 CO -0.22 -0.56 -0.01 -0.44 -0.29 0.00 0.00 176.35 174.83 1nfd s SER 160 N -1.14 0.06 -0.15 3.68 0.01 0.73 -4.95 113.70 111.95 1nfd s SER 160 Ca 0.55 -0.04 -0.07 0.00 1.31 0.00 0.00 55.95 57.70 1nfd s SER 160 Cb -0.30 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1nfd s SER 160 CO 0.38 -0.01 0.11 0.26 0.41 0.00 0.00 173.24 174.38 1nfd s TRP 161 N -0.10 3.43 -0.17 2.43 0.52 -1.26 0.15 118.94 123.95 1nfd s TRP 161 Ca -0.01 0.35 -0.02 0.00 0.02 0.00 0.00 56.10 56.44 1nfd s TRP 161 Cb -0.01 -2.00 0.05 0.00 -1.15 0.00 0.00 33.47 30.36 1nfd s TRP 161 CO -0.00 0.49 0.02 -1.58 0.02 0.00 0.00 176.95 175.89 1nfd s TRP 162 N -0.41 1.08 -0.22 -1.98 0.52 0.45 -1.96 118.94 116.42 1nfd s TRP 162 Ca 0.11 -0.79 -0.05 0.00 0.02 0.00 0.00 56.10 55.39 1nfd s TRP 162 Cb -0.12 -1.04 -0.01 0.00 -1.15 0.00 0.00 33.47 31.15 1nfd s TRP 162 CO 0.02 -0.57 -0.02 0.54 0.02 0.00 0.00 176.95 176.94 1nfd s VAL 163 N 1.84 3.63 -1.27 4.03 0.11 -0.34 0.13 120.40 128.52 1nfd s VAL 163 Ca 0.00 -0.41 -0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1nfd s VAL 163 Cb -0.16 -2.66 0.01 0.00 -1.53 0.00 0.00 36.38 32.04 1nfd s VAL 163 CO -0.07 0.41 0.97 0.59 -3.33 0.00 0.00 175.10 173.67 1nfd n ASN 164 N 4.71 -2.86 0.00 3.54 3.02 -0.82 -2.22 115.26 120.64 1nfd n ASN 164 Ca -0.18 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1nfd n ASN 164 Cb 0.51 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 34.87 1nfd n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nfd n GLY 165 N -1.43 1.91 3.87 7.41 0.00 -1.26 -4.95 105.19 110.73 1nfd n GLY 165 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1nfd n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfd s LYS 166 N 0.00 3.64 0.44 1.61 3.01 -0.94 -5.08 119.74 122.43 1nfd s LYS 166 Ca 0.00 0.08 -0.22 0.00 -1.01 0.00 0.00 55.97 54.81 1nfd s LYS 166 Cb 0.00 -3.16 -0.09 0.00 -1.01 0.00 0.00 37.83 33.57 1nfd s LYS 166 CO 0.00 0.71 1.05 -2.00 0.51 0.00 0.00 175.35 175.62 1nfd s GLU 167 N -1.26 4.00 0.07 1.68 2.12 -1.26 -1.19 118.70 122.86 1nfd s GLU 167 Ca 0.22 1.45 0.02 0.00 0.36 0.00 0.00 54.97 57.02 1nfd s GLU 167 Cb -0.14 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.87 1nfd s GLU 167 CO 0.11 -0.28 -0.07 0.54 -0.54 0.00 0.00 175.26 175.02 1nfd s VAL 168 N -1.79 0.62 0.00 3.70 0.11 -0.83 -4.86 120.40 117.34 1nfd s VAL 168 Ca 0.62 -1.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.07 1nfd s VAL 168 Cb -0.20 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 1nfd s VAL 168 CO 0.24 -0.69 0.00 1.41 -3.33 0.00 0.00 175.10 172.74 1nfd n HIS 169 N 0.55 0.00 -1.81 1.54 8.25 -1.26 -4.48 115.22 118.01 1nfd n HIS 169 Ca -0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 1nfd n HIS 169 Cb 0.58 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.67 1nfd n HIS 169 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nfd s SER 170 N -1.30 6.22 0.00 0.41 0.15 -1.26 -1.07 113.70 116.86 1nfd s SER 170 Ca 0.00 2.17 0.00 0.00 0.70 0.00 0.00 55.95 58.82 1nfd s SER 170 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1nfd s SER 170 CO 0.00 -1.31 0.00 0.61 1.20 0.00 0.00 173.24 173.74 1nfd n GLY 171 N 4.81 0.85 3.87 9.45 0.00 -1.26 -4.86 105.19 118.05 1nfd n GLY 171 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1nfd n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nfd s VAL 172 N -2.73 5.07 -0.31 1.61 -7.23 -0.23 -1.81 120.40 114.78 1nfd s VAL 172 Ca 0.00 0.40 0.02 0.00 -1.81 0.00 0.00 61.98 60.59 1nfd s VAL 172 Cb 0.00 -3.64 0.16 0.00 0.56 0.00 0.00 36.38 33.45 1nfd s VAL 172 CO 0.00 0.19 0.40 -0.55 -0.31 0.00 0.00 175.10 174.83 1nfd s SER 173 N -1.96 0.61 0.23 4.85 0.15 0.49 -5.00 113.70 113.08 1nfd s SER 173 Ca 0.37 -0.62 -0.09 0.00 0.70 0.00 0.00 55.95 56.31 1nfd s SER 173 Cb -0.13 0.98 -0.07 0.00 -1.71 0.00 0.00 66.02 65.08 1nfd s SER 173 CO 0.20 -0.34 0.55 -0.89 1.20 0.00 0.00 173.24 173.95 1nfd s THR 174 N 2.34 4.94 0.47 6.45 2.01 -1.26 -1.07 115.64 129.53 1nfd s THR 174 Ca 0.11 0.46 -0.24 0.00 0.31 0.00 0.00 61.69 62.32 1nfd s THR 174 Cb -0.13 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 1nfd s THR 174 CO -0.26 -0.07 1.42 -1.81 -0.69 0.00 0.00 174.62 173.20 1nfd s ASP 175 N -2.38 5.72 0.06 3.53 1.01 -0.50 -4.93 116.67 119.18 1nfd s ASP 175 Ca 0.47 2.90 -0.33 0.00 0.71 0.00 0.00 52.55 56.30 1nfd s ASP 175 Cb -0.11 -2.65 -0.19 0.00 1.01 0.00 0.00 42.92 40.98 1nfd s ASP 175 CO 0.21 -1.28 1.58 1.55 0.21 0.00 0.00 175.17 177.44 1nfd h PRO 176 N 2.12 -0.96 -5.16 8.23 0.13 -1.96 -3.44 132.00 130.96 1nfd h PRO 176 Ca -0.51 0.07 -0.46 0.00 -0.87 0.00 0.00 66.00 64.23 1nfd h PRO 176 Cb 1.27 0.22 -0.28 0.00 0.13 0.00 0.00 31.00 32.34 1nfd h PRO 176 CO 0.60 -0.63 -0.80 -1.14 -0.23 0.00 0.00 178.00 175.80 1nfd s GLN 177 N -5.93 1.01 0.21 0.86 0.74 -1.26 -5.13 119.66 110.16 1nfd s GLN 177 Ca -0.18 -0.50 -0.30 0.00 0.05 0.00 0.00 55.36 54.43 1nfd s GLN 177 Cb 0.03 -0.98 -0.09 0.00 1.10 0.00 0.00 33.01 33.07 1nfd s GLN 177 CO 0.60 0.26 1.29 0.00 -0.55 0.00 0.00 175.29 176.90 1nfd s ALA 178 N -0.39 3.51 0.53 1.58 0.00 -1.26 -4.98 121.76 120.75 1nfd s ALA 178 Ca 0.04 1.10 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 1nfd s ALA 178 Cb -0.05 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 1nfd s ALA 178 CO -0.00 -0.52 0.99 0.71 0.00 0.00 0.00 175.76 176.93 1nfd s TYR 179 N -0.02 3.48 -1.19 0.00 1.51 0.10 -4.78 117.35 116.46 1nfd s TYR 179 Ca 0.55 1.42 -0.12 0.00 -1.01 0.00 0.00 57.07 57.92 1nfd s TYR 179 Cb -0.36 -2.77 0.21 0.00 -0.11 0.00 0.00 41.96 38.93 1nfd s TYR 179 CO 0.39 -0.41 1.36 1.63 -1.11 0.00 0.00 175.55 177.40 1nfd n LYS 180 N -1.77 3.45 -0.38 -0.62 4.76 -1.26 -0.26 118.16 122.08 1nfd n LYS 180 Ca 0.06 -4.03 0.33 0.00 -2.87 0.00 0.00 58.31 51.80 1nfd n LYS 180 Cb 0.54 -2.88 0.66 0.00 -1.84 0.00 0.00 35.03 31.51 1nfd n LYS 180 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1nfd h GLU 181 N 6.91 0.14 0.00 1.97 4.57 0.13 -3.43 114.58 124.87 1nfd h GLU 181 Ca 0.28 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.30 1nfd h GLU 181 Cb 0.86 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 1nfd h GLU 181 CO 1.19 0.09 -0.01 -1.13 -1.18 0.00 0.00 179.01 177.97 1nfd n SER 182 N -4.40 -1.21 0.16 1.04 3.41 0.14 -4.94 113.62 107.82 1nfd n SER 182 Ca 0.29 -2.31 0.02 0.00 -0.26 0.00 0.00 58.87 56.61 1nfd n SER 182 Cb 1.23 2.15 0.36 0.00 -0.26 0.00 0.00 64.21 67.68 1nfd n SER 182 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1nfd h ASN 186 N 1.44 0.10 -0.14 4.04 -1.24 -2.02 -3.07 115.58 114.69 1nfd h ASN 186 Ca -0.21 -0.03 -0.14 0.00 0.71 0.00 0.00 56.30 56.62 1nfd h ASN 186 Cb 0.88 -0.03 -0.19 0.00 0.73 0.00 0.00 38.32 39.71 1nfd h ASN 186 CO 0.28 0.40 -0.73 -1.22 -1.29 0.00 0.00 177.43 174.87 1nfd n TYR 187 N -4.15 0.49 -3.62 0.67 4.01 -1.26 -5.00 117.16 108.30 1nfd n TYR 187 Ca -0.02 -1.40 -0.11 0.00 -0.16 0.00 0.00 57.90 56.22 1nfd n TYR 187 Cb 0.37 -0.24 -0.11 0.00 -0.31 0.00 0.00 39.34 39.05 1nfd n TYR 187 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1nfd s SER 189 N -3.02 0.08 0.53 7.72 0.15 -1.16 -4.60 113.70 113.39 1nfd s SER 189 Ca 0.38 0.72 0.09 0.00 0.70 0.00 0.00 55.95 57.84 1nfd s SER 189 Cb 0.38 1.06 0.06 0.00 -1.71 0.00 0.00 66.02 65.80 1nfd s SER 189 CO -0.08 -0.25 0.68 -0.31 1.20 0.00 0.00 173.24 174.48 1nfd s TYR 190 N 2.53 1.81 -0.23 3.44 1.51 0.24 0.78 117.35 127.43 1nfd s TYR 190 Ca 0.01 -0.66 -0.26 0.00 -1.01 0.00 0.00 57.07 55.15 1nfd s TYR 190 Cb -0.13 -2.21 0.09 0.00 -0.11 0.00 0.00 41.96 39.61 1nfd s TYR 190 CO -0.12 -0.86 0.83 -1.12 -1.11 0.00 0.00 175.55 173.17 1nfd s SER 191 N -4.52 -0.62 -0.11 2.29 0.01 0.64 -2.14 113.70 109.26 1nfd s SER 191 Ca 0.56 1.07 -0.04 0.00 1.31 0.00 0.00 55.95 58.85 1nfd s SER 191 Cb -0.06 1.04 0.05 0.00 0.21 0.00 0.00 66.02 67.26 1nfd s SER 191 CO 0.35 -0.29 0.23 -0.22 0.41 0.00 0.00 173.24 173.71 1nfd s LEU 192 N -0.06 0.06 0.31 2.44 2.96 0.06 0.01 118.68 124.46 1nfd s LEU 192 Ca -0.01 0.49 0.09 0.00 -0.22 0.00 0.00 54.13 54.48 1nfd s LEU 192 Cb -0.04 0.59 -0.05 0.00 0.50 0.00 0.00 46.19 47.20 1nfd s LEU 192 CO 0.01 -0.21 0.01 -0.94 -1.32 0.00 0.00 176.35 173.90 1nfd s SER 193 N 1.92 4.35 0.23 3.68 1.04 -1.26 -0.38 113.70 123.27 1nfd s SER 193 Ca -0.03 -0.83 -0.19 0.00 0.48 0.00 0.00 55.95 55.39 1nfd s SER 193 Cb -0.11 -0.66 0.03 0.00 0.10 0.00 0.00 66.02 65.37 1nfd s SER 193 CO -0.08 -0.13 0.59 -0.94 0.98 0.00 0.00 173.24 173.67 1nfd s SER 194 N -3.70 -0.28 0.03 7.02 1.04 0.70 -1.41 113.70 117.10 1nfd s SER 194 Ca 0.34 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 56.22 1nfd s SER 194 Cb -0.03 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 1nfd s SER 194 CO 0.20 -1.15 0.03 0.00 0.98 0.00 0.00 173.24 173.29 1nfd s ARG 195 N -3.89 0.47 -0.02 4.02 1.70 -0.23 -0.38 118.95 120.62 1nfd s ARG 195 Ca 0.10 -0.74 0.03 0.00 -0.47 0.00 0.00 55.73 54.65 1nfd s ARG 195 Cb -0.03 0.18 -0.00 0.00 -0.57 0.00 0.00 34.95 34.53 1nfd s ARG 195 CO 0.01 -0.10 -0.09 -1.17 -1.08 0.00 0.00 175.30 172.86 1nfd s LEU 196 N -1.92 1.86 -0.11 -1.89 2.96 0.03 -0.37 118.68 119.25 1nfd s LEU 196 Ca -0.08 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1nfd s LEU 196 Cb -0.04 -0.54 0.01 0.00 0.50 0.00 0.00 46.19 46.12 1nfd s LEU 196 CO -0.03 0.09 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.32 1nfd s ARG 197 N 0.05 2.35 0.16 1.98 3.52 -0.75 0.35 118.95 126.61 1nfd s ARG 197 Ca -0.01 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 1nfd s ARG 197 Cb -0.07 -1.95 -0.05 0.00 -1.56 0.00 0.00 34.95 31.32 1nfd s ARG 197 CO 0.00 -0.03 -0.08 0.14 -0.81 0.00 0.00 175.30 174.52 1nfd s VAL 198 N 0.89 1.10 0.77 7.11 -7.23 -0.77 -4.70 120.40 117.57 1nfd s VAL 198 Ca -0.08 -2.05 -0.15 0.00 -1.81 0.00 0.00 61.98 57.89 1nfd s VAL 198 Cb -0.15 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 34.91 1nfd s VAL 198 CO -0.00 -0.69 0.99 -1.54 -0.31 0.00 0.00 175.10 173.55 1nfd n SER 199 N -0.22 0.41 0.30 4.85 3.41 -1.26 -1.23 113.62 119.88 1nfd n SER 199 Ca -0.09 0.61 0.19 0.00 -0.26 0.00 0.00 58.87 59.31 1nfd n SER 199 Cb 0.61 -1.42 0.89 0.00 -0.26 0.00 0.00 64.21 64.03 1nfd n SER 199 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nfd h ALA 200 N -0.60 1.04 0.05 7.33 0.00 -1.85 -1.43 119.26 123.80 1nfd h ALA 200 Ca -0.47 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 1nfd h ALA 200 Cb 1.32 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.12 1nfd h ALA 200 CO 0.45 0.02 -0.80 1.15 0.00 0.00 0.00 179.25 180.07 1nfd h THR 201 N 0.00 1.40 -0.39 0.00 2.02 -1.89 -2.63 112.91 111.42 1nfd h THR 201 Ca -0.00 -2.25 -0.16 0.00 0.77 0.00 0.00 66.41 64.77 1nfd h THR 201 Cb 0.30 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 1nfd h THR 201 CO 0.00 0.66 -0.38 0.15 0.37 0.00 0.00 175.52 176.32 1nfd h PHE 202 N -0.03 1.13 0.14 3.16 3.04 -1.80 -2.67 116.94 119.91 1nfd h PHE 202 Ca -0.11 -0.34 -0.01 0.00 3.98 0.00 0.00 57.97 61.49 1nfd h PHE 202 Cb 1.53 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1nfd h PHE 202 CO 0.15 1.17 -0.07 2.35 -2.02 0.00 0.00 178.31 179.89 1nfd h TRP 203 N 0.77 -0.18 -0.76 0.41 -0.00 -1.37 -2.70 115.95 112.12 1nfd h TRP 203 Ca 0.06 -0.00 0.18 0.00 -0.00 0.00 0.00 58.89 59.13 1nfd h TRP 203 Cb 0.98 0.06 -0.05 0.00 -0.00 0.00 0.00 29.16 30.15 1nfd h TRP 203 CO 0.06 -0.05 0.52 0.45 -0.00 0.00 0.00 178.44 179.43 1nfd h HIS 204 N -0.27 0.31 -1.79 2.65 3.86 -1.42 -1.57 115.15 116.93 1nfd h HIS 204 Ca -0.02 0.01 -0.50 0.00 -1.16 0.00 0.00 60.37 58.70 1nfd h HIS 204 Cb 0.21 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 1nfd h HIS 204 CO -0.05 0.10 1.55 1.21 0.86 0.00 0.00 177.93 181.61 1nfd s ASN 205 N -5.88 4.80 0.49 2.45 3.84 -1.01 -1.84 114.94 117.78 1nfd s ASN 205 Ca -0.07 1.13 0.26 0.00 0.21 0.00 0.00 52.86 54.40 1nfd s ASN 205 Cb 0.21 -2.51 1.42 0.00 -0.55 0.00 0.00 41.25 39.83 1nfd s ASN 205 CO 0.76 -2.60 1.77 -0.65 -2.79 0.00 0.00 177.10 173.60 1nfd h PRO 206 N 17.84 0.00 -0.58 0.43 0.11 -1.87 0.93 132.00 148.87 1nfd h PRO 206 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1nfd h PRO 206 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1nfd h PRO 206 CO 1.13 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.46 1nfd n ARG 207 N -2.54 2.57 -4.03 1.05 5.12 -1.26 -3.60 116.66 113.97 1nfd n ARG 207 Ca -0.02 -1.67 -0.35 0.00 -1.93 0.00 0.00 57.85 53.88 1nfd n ARG 207 Cb 0.22 -1.61 -0.13 0.00 -1.16 0.00 0.00 32.46 29.78 1nfd n ARG 207 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1nfd s ASN 208 N -0.75 4.69 0.06 0.55 0.01 0.32 -4.99 114.94 114.83 1nfd s ASN 208 Ca 0.30 -0.26 -0.04 0.00 -0.71 0.00 0.00 52.86 52.15 1nfd s ASN 208 Cb 0.19 -1.80 -0.05 0.00 0.41 0.00 0.00 41.25 40.00 1nfd s ASN 208 CO 0.15 0.04 0.28 -2.28 -1.51 0.00 0.00 177.10 173.77 1nfd s HIS 209 N 1.16 3.53 -0.04 2.20 5.65 -1.26 -2.29 115.29 124.23 1nfd s HIS 209 Ca 0.03 0.46 -0.01 0.00 0.25 0.00 0.00 55.06 55.79 1nfd s HIS 209 Cb -0.14 -1.92 0.03 0.00 -1.18 0.00 0.00 32.58 29.36 1nfd s HIS 209 CO 0.01 0.56 0.03 -0.06 -0.65 0.00 0.00 174.74 174.63 1nfd s PHE 210 N -1.46 0.29 -0.04 3.88 0.40 0.09 -1.95 117.98 119.19 1nfd s PHE 210 Ca 0.33 0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.74 1nfd s PHE 210 Cb -0.13 -0.54 0.02 0.00 0.51 0.00 0.00 43.02 42.88 1nfd s PHE 210 CO 0.22 -0.21 -0.07 0.50 0.70 0.00 0.00 175.22 176.37 1nfd s ARG 211 N 1.75 0.98 -0.36 0.44 3.52 0.34 -0.61 118.95 125.01 1nfd s ARG 211 Ca 0.00 -0.19 -0.08 0.00 -0.13 0.00 0.00 55.73 55.33 1nfd s ARG 211 Cb -0.13 -0.92 0.04 0.00 -1.56 0.00 0.00 34.95 32.39 1nfd s ARG 211 CO -0.03 -0.02 0.15 0.00 -0.81 0.00 0.00 175.30 174.58 1nfd s GLN 213 N 1.43 3.89 -0.32 0.00 0.74 0.40 -1.94 119.66 123.86 1nfd s GLN 213 Ca -0.00 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.12 1nfd s GLN 213 Cb -0.20 -3.22 0.08 0.00 1.10 0.00 0.00 33.01 30.78 1nfd s GLN 213 CO 0.03 0.36 0.02 0.08 -0.55 0.00 0.00 175.29 175.23 1nfd s VAL 214 N 0.13 2.53 -0.54 1.34 1.01 0.91 0.26 120.40 126.04 1nfd s VAL 214 Ca 0.06 -1.91 -0.28 0.00 0.00 0.00 0.00 61.98 59.85 1nfd s VAL 214 Cb -0.12 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1nfd s VAL 214 CO 0.00 -0.35 1.14 -1.58 0.00 0.00 0.00 175.10 174.31 1nfd s GLN 215 N 1.06 3.55 0.18 2.72 0.74 -0.70 -2.29 119.66 124.92 1nfd s GLN 215 Ca 0.02 0.27 -0.01 0.00 0.05 0.00 0.00 55.36 55.69 1nfd s GLN 215 Cb -0.20 -3.99 -0.04 0.00 1.10 0.00 0.00 33.01 29.88 1nfd s GLN 215 CO -0.05 -1.56 0.36 0.12 -0.55 0.00 0.00 175.29 173.61 1nfd s PHE 216 N 4.66 3.49 -0.13 1.67 5.36 0.85 -1.28 117.98 132.60 1nfd s PHE 216 Ca 0.43 0.32 0.01 0.00 -0.96 0.00 0.00 56.93 56.73 1nfd s PHE 216 Cb -0.08 -1.83 0.02 0.00 -0.34 0.00 0.00 43.02 40.79 1nfd s PHE 216 CO 0.26 0.42 -0.16 -1.01 -1.46 0.00 0.00 175.22 173.28 1nfd s HIS 217 N -1.81 2.19 0.00 10.12 3.76 -0.97 -0.81 115.29 127.77 1nfd s HIS 217 Ca 0.38 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1nfd s HIS 217 Cb -0.11 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1nfd s HIS 217 CO 0.28 -0.60 0.00 0.41 -0.85 0.00 0.00 174.74 173.99 1nfd n GLY 218 N 4.46 5.14 3.91 -2.22 0.00 -1.26 -4.73 105.19 110.48 1nfd n GLY 218 Ca -0.18 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 1nfd n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nfd s LEU 219 N 0.00 2.58 0.00 0.99 1.02 -0.97 -4.32 118.68 117.97 1nfd s LEU 219 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 54.13 54.78 1nfd s LEU 219 Cb 0.00 -3.02 0.00 0.00 0.02 0.00 0.00 46.19 43.19 1nfd s LEU 219 CO 0.00 -2.08 0.00 -1.20 0.02 0.00 0.00 176.35 173.09 1nfd n SER 220 N -3.39 0.08 -0.04 2.29 7.64 -1.26 -3.85 113.62 115.09 1nfd n SER 220 Ca 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.97 1nfd n SER 220 Cb 0.61 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.80 1nfd n SER 220 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1nfd n GLU 221 N 0.00 -0.04 -0.58 1.43 4.07 -1.26 0.78 120.64 125.05 1nfd n GLU 221 Ca 0.00 0.19 -0.14 0.00 -0.06 0.00 0.00 57.16 57.15 1nfd n GLU 221 Cb 0.00 -0.27 -0.04 0.00 -0.06 0.00 0.00 31.44 31.06 1nfd n GLU 221 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1nfd n GLU 222 N -3.34 1.46 -2.50 5.31 4.07 -1.26 -4.74 120.64 119.63 1nfd n GLU 222 Ca 0.00 -0.98 -0.43 0.00 -0.06 0.00 0.00 57.16 55.69 1nfd n GLU 222 Cb 0.02 -2.12 0.00 0.00 -0.06 0.00 0.00 31.44 29.28 1nfd n GLU 222 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1nfd n ASP 223 N 3.65 4.83 -3.94 4.31 5.75 0.23 -4.83 116.55 126.56 1nfd n ASP 223 Ca 0.31 -2.93 -0.43 0.00 -0.01 0.00 0.00 54.79 51.73 1nfd n ASP 223 Cb 0.25 -1.68 0.01 0.00 -1.03 0.00 0.00 41.12 38.67 1nfd n ASP 223 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nfd n LYS 224 N 7.17 3.84 -3.67 0.11 4.76 -1.26 -4.97 118.16 124.15 1nfd n LYS 224 Ca 0.46 -3.83 -0.37 0.00 -2.87 0.00 0.00 58.31 51.70 1nfd n LYS 224 Cb 0.44 -2.81 -0.07 0.00 -1.84 0.00 0.00 35.03 30.75 1nfd n LYS 224 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1nfd s TRP 225 N -0.45 3.55 0.16 2.13 -0.11 -1.26 -5.04 118.94 117.92 1nfd s TRP 225 Ca 0.37 0.62 -0.33 0.00 1.22 0.00 0.00 56.10 57.98 1nfd s TRP 225 Cb 0.07 -2.18 -0.16 0.00 -1.50 0.00 0.00 33.47 29.71 1nfd s TRP 225 CO 0.03 0.49 1.15 -2.30 -4.62 0.00 0.00 176.95 171.70 1nfd n PRO 226 N 2.69 1.07 -0.19 5.86 -0.02 -1.26 -4.81 135.00 138.35 1nfd n PRO 226 Ca -0.15 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1nfd n PRO 226 Cb 0.53 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1nfd n PRO 226 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1nfd n GLU 227 N 1.77 0.77 0.00 -0.52 4.07 -1.26 -3.68 120.64 121.79 1nfd n GLU 227 Ca 0.16 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.26 1nfd n GLU 227 Cb 0.23 -1.11 0.00 0.00 -0.06 0.00 0.00 31.44 30.50 1nfd n GLU 227 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nfd n GLY 228 N 1.10 -1.01 3.83 8.31 0.00 -1.26 -5.09 105.19 111.07 1nfd n GLY 228 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1nfd n GLY 228 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nfd s SER 229 N -0.27 -0.05 0.09 1.61 0.15 -1.24 -5.15 113.70 108.84 1nfd s SER 229 Ca 0.01 -0.45 -0.31 0.00 0.70 0.00 0.00 55.95 55.91 1nfd s SER 229 Cb 0.01 0.38 -0.08 0.00 -1.71 0.00 0.00 66.02 64.63 1nfd s SER 229 CO 0.02 -0.74 1.42 -2.16 1.20 0.00 0.00 173.24 172.98 1nfd s PRO 230 N -2.44 4.30 -0.05 5.44 0.04 -1.26 -4.88 135.00 136.15 1nfd s PRO 230 Ca 0.20 2.09 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1nfd s PRO 230 Cb -0.01 -3.34 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 1nfd s PRO 230 CO 0.02 -0.50 1.63 0.21 0.04 0.00 0.00 177.00 178.40 1nfd s LYS 231 N 1.49 4.19 -0.69 4.56 2.20 -1.26 -4.92 119.74 125.30 1nfd s LYS 231 Ca 0.65 2.17 -0.27 0.00 -0.36 0.00 0.00 55.97 58.16 1nfd s LYS 231 Cb -0.36 -3.94 0.02 0.00 -1.51 0.00 0.00 37.83 32.04 1nfd s LYS 231 CO 0.30 -0.82 1.38 -1.25 -0.36 0.00 0.00 175.35 174.59 1nfd s PRO 232 N 3.86 3.13 0.26 4.03 0.04 -1.26 -4.97 135.00 140.10 1nfd s PRO 232 Ca 0.72 -0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.78 1nfd s PRO 232 Cb -0.33 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 29.98 1nfd s PRO 232 CO 0.29 -2.19 0.42 0.08 0.04 0.00 0.00 177.00 175.63 1nfd s VAL 233 N 6.24 5.21 0.23 -0.36 1.01 -1.26 -2.29 120.40 129.18 1nfd s VAL 233 Ca 0.42 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1nfd s VAL 233 Cb -0.09 -3.84 -0.15 0.00 0.00 0.00 0.00 36.38 32.30 1nfd s VAL 233 CO 0.17 -0.37 0.92 0.35 0.00 0.00 0.00 175.10 176.18 1nfd n THR 234 N -1.38 1.67 -3.67 3.92 -2.24 -1.25 -4.26 114.28 107.07 1nfd n THR 234 Ca -0.07 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.21 1nfd n THR 234 Cb 0.56 -0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 1nfd n THR 234 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nfd s GLN 235 N -1.08 1.38 -0.31 -0.78 -2.07 0.01 -4.79 119.66 112.02 1nfd s GLN 235 Ca 0.65 -0.68 -0.03 0.00 -1.82 0.00 0.00 55.36 53.47 1nfd s GLN 235 Cb -0.82 0.52 0.05 0.00 -1.09 0.00 0.00 33.01 31.68 1nfd s GLN 235 CO 0.57 -0.62 0.04 -0.80 -1.32 0.00 0.00 175.29 173.15 1nfd s ASN 236 N -2.82 5.03 -0.10 12.60 -0.87 -1.26 -0.10 114.94 127.41 1nfd s ASN 236 Ca 0.08 -1.25 -0.01 0.00 -1.57 0.00 0.00 52.86 50.11 1nfd s ASN 236 Cb -0.03 -1.76 -0.03 0.00 -0.02 0.00 0.00 41.25 39.41 1nfd s ASN 236 CO -0.02 -0.29 -0.05 -0.63 -2.57 0.00 0.00 177.10 173.55 1nfd s ILE 237 N 1.29 3.82 0.30 0.60 1.01 -0.97 -4.93 121.20 122.33 1nfd s ILE 237 Ca -0.04 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1nfd s ILE 237 Cb -0.20 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1nfd s ILE 237 CO 0.00 0.56 0.21 -0.44 0.00 0.00 0.00 174.94 175.27 1nfd s SER 238 N -0.40 1.37 -0.15 3.58 0.01 -1.26 -0.06 113.70 116.79 1nfd s SER 238 Ca 0.06 -1.62 -0.07 0.00 1.31 0.00 0.00 55.95 55.63 1nfd s SER 238 Cb -0.12 0.47 0.06 0.00 0.21 0.00 0.00 66.02 66.64 1nfd s SER 238 CO 0.02 -0.96 0.34 0.00 0.41 0.00 0.00 173.24 173.05 1nfd s ALA 239 N -3.63 -0.83 0.13 1.44 0.00 -0.82 -4.84 121.76 113.21 1nfd s ALA 239 Ca 0.38 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.66 1nfd s ALA 239 Cb 0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1nfd s ALA 239 CO 0.21 -0.37 -0.12 -1.83 0.00 0.00 0.00 175.76 173.65 1nfd s GLU 240 N 1.68 1.03 0.07 0.00 -1.05 -1.26 -0.76 118.70 118.41 1nfd s GLU 240 Ca -0.07 -1.31 -0.14 0.00 -0.15 0.00 0.00 54.97 53.30 1nfd s GLU 240 Cb -0.10 -0.78 0.02 0.00 -0.44 0.00 0.00 34.13 32.83 1nfd s GLU 240 CO -0.11 0.13 0.31 0.00 0.95 0.00 0.00 175.26 176.55 1nfd s ALA 241 N -2.58 -0.68 0.00 -0.84 0.00 0.22 -4.99 121.76 112.88 1nfd s ALA 241 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1nfd s ALA 241 Cb -0.02 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1nfd s ALA 241 CO 0.02 -0.50 0.00 0.91 0.00 0.00 0.00 175.76 176.19 1nfd n TRP 242 N 0.22 0.00 -0.11 0.00 7.02 -1.26 -0.73 117.44 122.58 1nfd n TRP 242 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1nfd n TRP 242 Cb 0.61 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.50 1nfd n TRP 242 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1nfd n GLY 243 N 5.00 -1.90 3.42 6.99 0.00 -0.97 -4.81 105.19 112.91 1nfd n GLY 243 Ca 0.00 -1.46 -0.52 0.00 0.00 0.00 0.00 46.02 44.05 1nfd n GLY 243 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nfd n ARG 244 N -0.25 0.00 -2.19 1.61 0.63 -0.59 -4.80 116.66 111.08 1nfd n ARG 244 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1nfd n ARG 244 Cb 0.00 -1.17 -0.03 0.00 0.45 0.00 0.00 32.46 31.71 1nfd n ARG 244 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nfd s ALA 245 N -0.65 3.59 0.10 5.13 0.00 -1.26 -4.83 121.76 123.84 1nfd s ALA 245 Ca 0.73 0.97 -0.31 0.00 0.00 0.00 0.00 51.96 53.36 1nfd s ALA 245 Cb -1.04 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 18.39 1nfd s ALA 245 CO 0.56 -0.84 1.78 -0.51 0.00 0.00 0.00 175.76 176.75 1nfd s ASP 246 N 1.72 6.48 0.00 0.00 1.01 -1.26 -5.19 116.67 119.43 1nfd s ASP 246 Ca 0.65 2.67 0.06 0.00 0.71 0.00 0.00 52.55 56.64 1nfd s ASP 246 Cb -0.34 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.08 1nfd s ASP 246 CO 0.28 -0.97 0.69 0.00 0.21 0.00 0.00 175.17 175.38