#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfd s SER 2 N 0.00 6.81 0.00 1.67 0.15 -1.26 -4.17 113.70 116.90 1nfd s SER 2 Ca 0.00 1.94 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1nfd s SER 2 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1nfd s SER 2 CO 0.00 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1nfd n GLY 3 N 0.15 -2.30 3.77 9.45 0.00 -1.26 -4.94 105.19 110.06 1nfd n GLY 3 Ca 0.05 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 1nfd n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nfd s VAL 4 N -3.01 2.90 -0.03 1.61 1.01 -1.26 -4.47 120.40 117.15 1nfd s VAL 4 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.73 1nfd s VAL 4 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1nfd s VAL 4 CO 0.00 0.02 -0.16 -0.69 0.00 0.00 0.00 175.10 174.27 1nfd s VAL 5 N -1.45 1.33 0.03 2.92 1.01 -0.76 -4.66 120.40 118.81 1nfd s VAL 5 Ca 0.63 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1nfd s VAL 5 Cb -0.32 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1nfd s VAL 5 CO 0.39 0.38 -0.17 -1.10 0.00 0.00 0.00 175.10 174.60 1nfd s GLN 6 N -0.09 1.16 -0.20 2.72 -0.21 -1.26 -1.05 119.66 120.73 1nfd s GLN 6 Ca -0.00 -0.79 -0.18 0.00 0.02 0.00 0.00 55.36 54.41 1nfd s GLN 6 Cb -0.10 -1.20 0.05 0.00 1.00 0.00 0.00 33.01 32.77 1nfd s GLN 6 CO 0.01 0.31 0.52 -1.54 -2.12 0.00 0.00 175.29 172.47 1nfd s SER 7 N -1.01 -0.56 0.49 5.90 1.04 -1.09 -4.43 113.70 114.05 1nfd s SER 7 Ca 0.05 1.06 -0.04 0.00 0.48 0.00 0.00 55.95 57.50 1nfd s SER 7 Cb -0.08 1.07 -0.02 0.00 0.10 0.00 0.00 66.02 67.09 1nfd s SER 7 CO 0.01 -0.18 0.77 -2.16 0.98 0.00 0.00 173.24 172.65 1nfd s PRO 8 N 0.38 3.32 0.46 4.02 0.04 -1.26 0.12 135.00 142.08 1nfd s PRO 8 Ca -0.01 -0.02 0.25 0.00 0.04 0.00 0.00 61.00 61.27 1nfd s PRO 8 Cb -0.04 -2.41 0.56 0.00 0.04 0.00 0.00 34.50 32.65 1nfd s PRO 8 CO -0.01 -0.29 1.69 -0.09 0.04 0.00 0.00 177.00 178.35 1nfd h ARG 9 N 0.22 0.00 -3.26 4.56 9.65 -1.80 -3.40 114.38 120.35 1nfd h ARG 9 Ca -0.47 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.15 1nfd h ARG 9 Cb 1.23 0.00 -0.33 0.00 -1.39 0.00 0.00 29.97 29.48 1nfd h ARG 9 CO 0.61 0.00 -0.62 -1.01 2.80 0.00 0.00 179.97 181.75 1nfd s HIS 10 N -3.30 -0.14 -0.05 2.20 3.76 -1.26 -1.18 115.29 115.31 1nfd s HIS 10 Ca 0.06 0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 55.41 1nfd s HIS 10 Cb 0.06 -0.14 0.03 0.00 1.11 0.00 0.00 32.58 33.64 1nfd s HIS 10 CO 0.64 -0.17 0.02 0.42 -0.85 0.00 0.00 174.74 174.80 1nfd s ILE 11 N 1.36 0.15 -0.17 0.60 1.01 0.65 -4.92 121.20 119.87 1nfd s ILE 11 Ca -0.07 0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1nfd s ILE 11 Cb -0.12 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.03 1nfd s ILE 11 CO -0.06 0.20 -0.17 -0.63 0.00 0.00 0.00 174.94 174.29 1nfd s ILE 12 N 1.81 2.41 0.06 2.92 1.01 -1.26 -1.67 121.20 126.48 1nfd s ILE 12 Ca 0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1nfd s ILE 12 Cb -0.12 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1nfd s ILE 12 CO -0.04 0.52 0.03 -0.54 0.00 0.00 0.00 174.94 174.92 1nfd s LYS 13 N 1.05 0.67 0.30 2.79 1.02 -1.14 -4.95 119.74 119.48 1nfd s LYS 13 Ca -0.01 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 54.84 1nfd s LYS 13 Cb -0.14 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.38 1nfd s LYS 13 CO -0.05 -0.15 0.48 -2.00 -0.92 0.00 0.00 175.35 172.71 1nfd s GLU 14 N -3.89 3.49 0.77 1.68 2.12 -1.26 -0.15 118.70 121.45 1nfd s GLU 14 Ca 0.06 -0.41 -0.16 0.00 0.36 0.00 0.00 54.97 54.83 1nfd s GLU 14 Cb 0.07 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 1nfd s GLU 14 CO -0.10 0.25 0.41 1.63 -0.54 0.00 0.00 175.26 176.91 1nfd n LYS 15 N -1.47 0.17 0.00 4.30 5.02 -1.19 -0.69 118.16 124.30 1nfd n LYS 15 Ca -0.05 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1nfd n LYS 15 Cb 0.56 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.76 2.57 3.57 0.72 0.00 -0.99 -4.94 105.19 107.88 1nfd n GLY 16 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.98 -0.74 2.91 -0.02 0.00 0.14 -3.84 105.19 102.66 1nfd n GLY 17 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.89 1.59 0.40 1.61 0.52 -1.26 -1.17 118.95 117.74 1nfd s ARG 18 Ca 0.72 -0.46 0.06 0.00 -0.52 0.00 0.00 55.73 55.54 1nfd s ARG 18 Cb -0.38 -1.91 -0.08 0.00 0.52 0.00 0.00 34.95 33.10 1nfd s ARG 18 CO 0.51 -0.36 0.02 0.45 0.02 0.00 0.00 175.30 175.93 1nfd s SER 19 N 1.63 3.65 -0.07 0.23 0.15 -0.76 -4.97 113.70 113.57 1nfd s SER 19 Ca 0.02 -1.38 -0.03 0.00 0.70 0.00 0.00 55.95 55.26 1nfd s SER 19 Cb -0.14 -0.32 0.04 0.00 -1.71 0.00 0.00 66.02 63.89 1nfd s SER 19 CO -0.08 -0.49 0.13 -0.69 1.20 0.00 0.00 173.24 173.31 1nfd s VAL 20 N -2.81 -0.15 0.30 4.45 1.01 -1.26 0.04 120.40 121.98 1nfd s VAL 20 Ca 0.34 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1nfd s VAL 20 Cb 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1nfd s VAL 20 CO 0.17 0.12 0.49 -0.76 0.00 0.00 0.00 175.10 175.12 1nfd s LEU 21 N 1.74 4.10 0.17 3.92 1.02 0.28 -4.62 118.68 125.30 1nfd s LEU 21 Ca -0.03 0.41 0.05 0.00 0.02 0.00 0.00 54.13 54.59 1nfd s LEU 21 Cb -0.12 -3.24 -0.05 0.00 0.02 0.00 0.00 46.19 42.80 1nfd s LEU 21 CO -0.05 -0.20 -0.10 -0.89 0.02 0.00 0.00 176.35 175.13 1nfd s THR 22 N -2.15 1.29 -0.28 5.49 2.01 0.33 -0.83 115.64 121.49 1nfd s THR 22 Ca 0.39 -2.09 -0.08 0.00 0.31 0.00 0.00 61.69 60.22 1nfd s THR 22 Cb -0.10 -1.97 0.13 0.00 0.01 0.00 0.00 72.50 70.57 1nfd s THR 22 CO 0.33 -0.65 0.59 0.00 -0.69 0.00 0.00 174.62 174.21 1nfd s ILE 24 N 2.83 4.71 0.92 0.00 -1.09 -0.22 -1.90 121.20 126.45 1nfd s ILE 24 Ca -0.01 -1.77 -0.10 0.00 -2.23 0.00 0.00 60.65 56.54 1nfd s ILE 24 Cb -0.12 -4.05 0.15 0.00 -1.58 0.00 0.00 42.46 36.86 1nfd s ILE 24 CO -0.18 -0.84 1.14 -2.16 -1.23 0.00 0.00 174.94 171.68 1nfd s PRO 25 N 1.31 1.00 0.17 2.79 0.04 -1.26 -1.83 135.00 137.21 1nfd s PRO 25 Ca 0.06 1.53 -0.32 0.00 0.04 0.00 0.00 61.00 62.32 1nfd s PRO 25 Cb -0.26 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1nfd s PRO 25 CO 0.00 -2.64 1.60 0.42 0.04 0.00 0.00 177.00 176.41 1nfd s ILE 26 N -2.65 2.54 0.15 0.56 1.01 -1.26 -4.83 121.20 116.72 1nfd s ILE 26 Ca 0.67 0.38 -0.32 0.00 0.00 0.00 0.00 60.65 61.37 1nfd s ILE 26 Cb -0.23 -3.24 -0.17 0.00 0.01 0.00 0.00 42.46 38.83 1nfd s ILE 26 CO 0.58 0.03 0.89 -1.54 0.00 0.00 0.00 174.94 174.90 1nfd n SER 27 N 4.03 0.06 0.00 3.58 3.41 -1.26 -1.23 113.62 122.22 1nfd n SER 27 Ca 0.14 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.90 1nfd n SER 27 Cb 0.38 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1nfd n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nfd n GLY 28 N 1.81 2.71 3.72 5.00 0.00 -1.26 -5.02 105.19 112.16 1nfd n GLY 28 Ca 0.17 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.27 2.93 -0.27 1.61 4.02 -0.36 -4.89 115.29 118.07 1nfd s HIS 29 Ca 0.00 0.50 -0.10 0.00 1.02 0.00 0.00 55.06 56.48 1nfd s HIS 29 Cb 0.00 -4.06 -0.14 0.00 -1.02 0.00 0.00 32.58 27.36 1nfd s HIS 29 CO 0.00 -3.93 -0.28 -1.13 1.02 0.00 0.00 174.74 170.41 1nfd n SER 30 N 3.71 1.96 -4.65 1.40 3.41 -1.09 -4.82 113.62 113.54 1nfd n SER 30 Ca 0.14 0.21 -0.42 0.00 -0.26 0.00 0.00 58.87 58.53 1nfd n SER 30 Cb 0.36 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 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 -7.20 6.51 -0.21 4.04 3.04 -1.20 -4.38 114.94 115.55 1nfd s ASN 31 Ca -0.37 2.30 -0.02 0.00 0.04 0.00 0.00 52.86 54.81 1nfd s ASN 31 Cb 0.13 -2.53 0.06 0.00 -1.54 0.00 0.00 41.25 37.37 1nfd s ASN 31 CO 0.53 -1.05 0.04 -0.69 -3.04 0.00 0.00 177.10 172.89 1nfd s VAL 32 N 4.50 0.61 0.23 -5.21 1.01 0.55 -2.39 120.40 119.70 1nfd s VAL 32 Ca 0.79 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 62.17 1nfd s VAL 32 Cb -0.36 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1nfd s VAL 32 CO 0.34 -0.26 -0.00 0.54 0.00 0.00 0.00 175.10 175.71 1nfd s VAL 33 N 1.81 3.55 -0.09 2.92 0.11 -0.97 -2.09 120.40 125.64 1nfd s VAL 33 Ca -0.00 -1.71 0.04 0.00 -2.93 0.00 0.00 61.98 57.38 1nfd s VAL 33 Cb -0.17 -2.85 -0.01 0.00 -1.53 0.00 0.00 36.38 31.83 1nfd s VAL 33 CO -0.10 -0.26 -0.23 0.26 -3.33 0.00 0.00 175.10 171.44 1nfd s TRP 34 N -2.06 2.55 0.20 1.54 0.52 -0.91 -2.27 118.94 118.51 1nfd s TRP 34 Ca 0.29 -0.90 0.10 0.00 0.02 0.00 0.00 56.10 55.62 1nfd s TRP 34 Cb -0.08 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1nfd s TRP 34 CO 0.19 -0.33 -0.20 0.71 0.02 0.00 0.00 176.95 177.34 1nfd s TYR 35 N 0.17 2.06 -0.04 -1.98 2.02 0.16 -1.01 117.35 118.73 1nfd s TYR 35 Ca -0.13 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.19 1nfd s TYR 35 Cb -0.16 -0.98 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 1nfd s TYR 35 CO 0.07 0.47 -0.13 -1.14 -1.57 0.00 0.00 175.55 173.25 1nfd s GLN 36 N -3.00 1.39 -0.24 -0.62 0.74 -0.92 -0.75 119.66 116.26 1nfd s GLN 36 Ca 0.21 -0.45 0.02 0.00 0.05 0.00 0.00 55.36 55.20 1nfd s GLN 36 Cb -0.06 -1.24 0.05 0.00 1.10 0.00 0.00 33.01 32.87 1nfd s GLN 36 CO 0.09 0.16 -0.13 -1.14 -0.55 0.00 0.00 175.29 173.73 1nfd s GLN 37 N 0.16 2.39 0.40 1.67 0.74 -0.19 -1.68 119.66 123.16 1nfd s GLN 37 Ca -0.04 -1.22 0.08 0.00 0.05 0.00 0.00 55.36 54.22 1nfd s GLN 37 Cb -0.10 -2.80 -0.03 0.00 1.10 0.00 0.00 33.01 31.17 1nfd s GLN 37 CO 0.01 -0.49 0.28 0.95 -0.55 0.00 0.00 175.29 175.49 1nfd s THR 38 N 1.15 2.65 0.00 -0.34 -4.23 -1.26 -2.41 115.64 111.20 1nfd s THR 38 Ca -0.06 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1nfd s THR 38 Cb -0.18 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1nfd s THR 38 CO -0.07 -0.04 0.00 -0.11 -0.54 0.00 0.00 174.62 173.87 1nfd n LEU 39 N -1.38 0.00 -3.32 4.79 7.94 -1.26 -1.09 117.00 122.67 1nfd n LEU 39 Ca 0.01 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.63 1nfd n LEU 39 Cb 0.62 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.51 1nfd n LEU 39 CO 0.44 0.00 1.45 0.61 -1.11 0.00 0.00 177.39 178.78 1nfd n GLY 40 N 0.00 1.32 0.00 -3.96 0.00 -1.26 -4.77 105.19 96.52 1nfd n GLY 40 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 6.60 0.00 -3.36 1.61 5.02 -0.25 -4.90 118.16 122.89 1nfd n LYS 41 Ca 0.31 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.49 1nfd n LYS 41 Cb 0.26 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.19 1nfd n LYS 41 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1nfd s GLU 42 N 0.00 0.35 -0.01 1.97 2.56 -1.26 -5.02 118.70 117.29 1nfd s GLU 42 Ca 0.00 0.21 -0.34 0.00 0.00 0.00 0.00 54.97 54.83 1nfd s GLU 42 Cb 0.00 -0.52 -0.13 0.00 2.00 0.00 0.00 34.13 35.49 1nfd s GLU 42 CO 0.00 -0.87 1.78 1.28 -0.56 0.00 0.00 175.26 176.88 1nfd n LEU 43 N 5.34 3.30 -4.30 2.70 7.99 -1.26 -4.50 117.00 126.27 1nfd n LEU 43 Ca -0.02 1.01 -0.35 0.00 -0.01 0.00 0.00 56.01 56.64 1nfd n LEU 43 Cb 0.49 -1.38 -0.14 0.00 -0.11 0.00 0.00 43.42 42.28 1nfd n LEU 43 CO 0.02 -0.15 -0.37 -0.75 -1.51 0.00 0.00 177.39 174.63 1nfd s LYS 44 N 3.02 3.25 0.08 3.23 2.20 -0.67 -4.98 119.74 125.87 1nfd s LYS 44 Ca 0.88 -0.71 -0.31 0.00 -0.36 0.00 0.00 55.97 55.47 1nfd s LYS 44 Cb -0.70 -3.06 -0.08 0.00 -1.51 0.00 0.00 37.83 32.48 1nfd s LYS 44 CO 0.47 -0.27 1.61 0.12 -0.36 0.00 0.00 175.35 176.93 1nfd s PHE 45 N 1.46 2.58 -0.18 4.03 2.19 -1.26 -2.16 117.98 124.64 1nfd s PHE 45 Ca 0.04 0.43 -0.16 0.00 0.33 0.00 0.00 56.93 57.57 1nfd s PHE 45 Cb -0.15 -3.93 -0.07 0.00 -1.31 0.00 0.00 43.02 37.57 1nfd s PHE 45 CO -0.03 -3.64 -0.32 1.28 1.83 0.00 0.00 175.22 174.34 1nfd n LEU 46 N 5.26 1.86 -3.64 6.12 4.77 -0.18 -3.02 117.00 128.17 1nfd n LEU 46 Ca 0.15 0.31 -0.05 0.00 -0.03 0.00 0.00 56.01 56.40 1nfd n LEU 46 Cb 0.40 -0.72 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1nfd n LEU 46 CO 0.62 -0.14 0.77 -0.51 -1.33 0.00 0.00 177.39 176.80 1nfd s ILE 47 N -2.76 0.00 0.01 -0.08 2.07 -1.23 -3.70 121.20 115.50 1nfd s ILE 47 Ca -0.29 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 58.98 1nfd s ILE 47 Cb 0.06 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 1nfd s ILE 47 CO 0.41 0.00 -0.02 -1.58 -1.91 0.00 0.00 174.94 171.83 1nfd s GLN 48 N 0.77 2.67 -0.01 3.50 0.74 -0.89 -2.15 119.66 124.29 1nfd s GLN 48 Ca -0.03 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.71 1nfd s GLN 48 Cb -0.04 -2.59 0.00 0.00 1.10 0.00 0.00 33.01 31.48 1nfd s GLN 48 CO -0.11 0.60 -0.03 -1.01 -0.55 0.00 0.00 175.29 174.19 1nfd s HIS 49 N -1.09 0.32 0.03 1.67 3.76 -0.89 -2.39 115.29 116.71 1nfd s HIS 49 Ca 0.19 -0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 55.02 1nfd s HIS 49 Cb -0.11 -0.24 -0.02 0.00 1.11 0.00 0.00 32.58 33.32 1nfd s HIS 49 CO 0.10 -0.03 0.04 -0.47 -0.85 0.00 0.00 174.74 173.54 1nfd s TYR 50 N 0.10 0.24 0.00 1.40 6.14 -1.21 -0.33 117.35 123.69 1nfd s TYR 50 Ca -0.01 -0.54 0.00 0.00 0.64 0.00 0.00 57.07 57.16 1nfd s TYR 50 Cb -0.03 -0.18 0.00 0.00 0.42 0.00 0.00 41.96 42.16 1nfd s TYR 50 CO -0.00 -0.30 0.00 -1.91 0.64 0.00 0.00 175.55 173.98 1nfd n GLU 51 N 1.04 0.00 -3.97 4.97 4.07 -1.26 -2.96 120.64 122.53 1nfd n GLU 51 Ca -0.20 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.59 1nfd n GLU 51 Cb 0.57 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.79 1nfd n GLU 51 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1nfd s LYS 52 N 0.00 1.86 -1.13 5.31 2.36 -1.26 -4.76 119.74 122.13 1nfd s LYS 52 Ca 0.00 -0.84 0.00 0.00 -2.55 0.00 0.00 55.97 52.58 1nfd s LYS 52 Cb 0.00 -2.41 0.00 0.00 -1.05 0.00 0.00 37.83 34.37 1nfd s LYS 52 CO 0.00 -0.47 0.00 0.28 1.55 0.00 0.00 175.35 176.71 1nfd n VAL 53 N 4.70 0.00 -2.40 4.02 0.31 -1.26 -4.94 118.33 118.77 1nfd n VAL 53 Ca -0.14 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.80 1nfd n VAL 53 Cb 0.46 -1.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 1nfd n VAL 53 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1nfd s GLU 54 N -2.87 4.42 -0.01 5.55 2.12 -1.15 -4.96 118.70 121.79 1nfd s GLU 54 Ca 0.00 1.82 0.08 0.00 0.36 0.00 0.00 54.97 57.23 1nfd s GLU 54 Cb 0.00 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 1nfd s GLU 54 CO 0.00 0.00 -0.24 0.50 -0.54 0.00 0.00 175.26 174.98 1nfd s ARG 55 N -1.81 1.92 -0.14 4.30 3.52 -1.26 -3.31 118.95 122.17 1nfd s ARG 55 Ca 0.49 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 55.20 1nfd s ARG 55 Cb -0.31 -1.88 0.04 0.00 -1.56 0.00 0.00 34.95 31.24 1nfd s ARG 55 CO 0.40 0.51 -0.02 0.34 -0.81 0.00 0.00 175.30 175.72 1nfd s ASP 56 N -0.65 2.40 0.24 -2.12 -1.08 -1.00 -5.03 116.67 109.43 1nfd s ASP 56 Ca 0.09 -0.48 0.05 0.00 -0.52 0.00 0.00 52.55 51.70 1nfd s ASP 56 Cb -0.09 -0.70 -0.03 0.00 -1.46 0.00 0.00 42.92 40.64 1nfd s ASP 56 CO -0.01 -0.21 0.33 -0.75 0.52 0.00 0.00 175.17 175.06 1nfd s LYS 57 N 1.79 3.34 0.00 4.34 2.20 -1.26 -2.10 119.74 128.05 1nfd s LYS 57 Ca 0.02 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 1nfd s LYS 57 Cb -0.14 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1nfd s LYS 57 CO -0.07 0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.76 1nfd n GLY 58 N -1.34 0.51 2.35 5.54 0.00 -1.26 -5.03 105.19 105.96 1nfd n GLY 58 Ca -0.09 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 2.59 -3.55 1.61 3.01 -1.17 -5.07 117.46 114.89 1nfd n PHE 59 Ca 0.00 -2.55 -0.36 0.00 1.01 0.00 0.00 57.45 55.54 1nfd n PHE 59 Cb 0.00 -0.25 -0.08 0.00 -0.01 0.00 0.00 39.48 39.15 1nfd n PHE 59 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1nfd s LEU 60 N -3.56 4.20 0.22 4.37 2.96 -1.24 -4.85 118.68 120.78 1nfd s LEU 60 Ca 0.44 0.41 -0.32 0.00 -0.22 0.00 0.00 54.13 54.45 1nfd s LEU 60 Cb 0.40 -2.32 -0.13 0.00 0.50 0.00 0.00 46.19 44.64 1nfd s LEU 60 CO -0.04 0.07 1.50 -2.65 -1.32 0.00 0.00 176.35 173.90 1nfd n PRO 61 N 3.82 2.20 -0.17 0.98 -0.02 -1.26 -4.89 135.00 135.66 1nfd n PRO 61 Ca -0.12 0.78 0.19 0.00 -2.02 0.00 0.00 63.50 62.33 1nfd n PRO 61 Cb 0.52 -2.50 0.56 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 4.87 0.28 0.01 2.55 4.64 -2.00 0.20 113.55 124.11 1nfd h SER 62 Ca -0.45 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1nfd h SER 62 Cb 1.26 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1nfd h SER 62 CO 0.81 0.13 -0.01 0.08 -0.87 0.00 0.00 176.83 176.97 1nfd h ARG 64 N 0.29 0.00 -5.08 4.77 0.11 -1.90 -3.40 114.38 109.17 1nfd h ARG 64 Ca 0.39 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.85 1nfd h ARG 64 Cb 1.10 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.04 1nfd h ARG 64 CO -0.11 0.01 -0.51 -0.06 0.10 0.00 0.00 179.97 179.41 1nfd s PHE 65 N -5.01 3.31 -0.25 4.08 0.08 0.69 -3.36 117.98 117.52 1nfd s PHE 65 Ca -0.05 0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.21 1nfd s PHE 65 Cb 0.17 -2.27 0.08 0.00 -0.57 0.00 0.00 43.02 40.42 1nfd s PHE 65 CO 0.66 0.06 0.05 -1.54 -0.10 0.00 0.00 175.22 174.35 1nfd s SER 66 N 1.08 3.58 0.10 1.36 1.04 -0.62 -4.73 113.70 115.51 1nfd s SER 66 Ca 0.07 -1.26 0.02 0.00 0.48 0.00 0.00 55.95 55.26 1nfd s SER 66 Cb -0.14 -0.81 -0.04 0.00 0.10 0.00 0.00 66.02 65.13 1nfd s SER 66 CO 0.05 -0.35 0.19 0.68 0.98 0.00 0.00 173.24 174.79 1nfd s VAL 67 N 1.67 5.04 0.02 5.02 -7.23 -1.26 -2.78 120.40 120.88 1nfd s VAL 67 Ca 0.03 -0.66 -0.10 0.00 -1.81 0.00 0.00 61.98 59.44 1nfd s VAL 67 Cb -0.17 -3.51 0.01 0.00 0.56 0.00 0.00 36.38 33.27 1nfd s VAL 67 CO -0.16 0.04 0.21 0.00 -0.31 0.00 0.00 175.10 174.88 1nfd s GLN 68 N -2.77 0.63 0.46 4.82 0.00 -1.09 -4.99 119.66 116.73 1nfd s GLN 68 Ca 0.33 -0.46 0.01 0.00 -0.00 0.00 0.00 55.36 55.23 1nfd s GLN 68 Cb -0.12 0.27 0.00 0.00 0.00 0.00 0.00 33.01 33.16 1nfd s GLN 68 CO 0.26 -0.17 0.69 -0.65 0.00 0.00 0.00 175.29 175.41 1nfd s GLN 69 N -1.94 2.99 0.41 9.60 -0.21 -1.26 -2.78 119.66 126.47 1nfd s GLN 69 Ca -0.10 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 54.76 1nfd s GLN 69 Cb -0.04 -2.55 -0.00 0.00 1.00 0.00 0.00 33.01 31.42 1nfd s GLN 69 CO -0.00 -0.33 0.04 1.19 -2.12 0.00 0.00 175.29 174.06 1nfd n PHE 70 N -2.12 0.73 0.40 0.91 3.01 0.31 -4.87 117.46 115.84 1nfd n PHE 70 Ca 0.02 -2.20 -0.18 0.00 1.01 0.00 0.00 57.45 56.10 1nfd n PHE 70 Cb 0.58 -0.20 -0.09 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 1.17 -0.85 0.00 4.37 3.32 -2.00 -0.10 116.42 122.33 1nfd h ASP 71 Ca -0.34 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1nfd h ASP 71 Cb 1.09 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1nfd h ASP 71 CO 0.55 -0.57 0.00 -0.90 -1.72 0.00 0.00 179.24 176.60 1nfd n ASP 72 N -5.50 0.00 0.00 6.45 5.75 -1.26 -4.71 116.55 117.27 1nfd n ASP 72 Ca -0.14 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 1nfd n ASP 72 Cb 0.41 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.97 0.00 -2.63 2.11 4.01 -0.05 -4.99 117.16 114.64 1nfd n TYR 73 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1nfd n TYR 73 Cb 0.00 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 38.80 1nfd n TYR 73 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 1nfd s HIS 74 N -2.89 3.39 0.06 -0.72 -3.43 -1.26 -4.58 115.29 105.86 1nfd s HIS 74 Ca 0.00 1.50 0.03 0.00 -0.80 0.00 0.00 55.06 55.79 1nfd s HIS 74 Cb 0.00 -2.79 -0.03 0.00 -1.43 0.00 0.00 32.58 28.33 1nfd s HIS 74 CO 0.00 -0.23 -0.10 -1.54 -2.00 0.00 0.00 174.74 170.88 1nfd s SER 75 N -2.65 1.19 0.02 7.38 1.04 -0.80 -0.53 113.70 119.35 1nfd s SER 75 Ca 0.60 -0.65 0.06 0.00 0.48 0.00 0.00 55.95 56.44 1nfd s SER 75 Cb -0.10 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1nfd s SER 75 CO 0.23 -0.20 -0.18 -1.61 0.98 0.00 0.00 173.24 172.45 1nfd s GLU 76 N -2.00 1.31 -0.33 4.02 2.02 -1.12 -1.38 118.70 121.22 1nfd s GLU 76 Ca -0.04 -0.81 -0.11 0.00 0.02 0.00 0.00 54.97 54.04 1nfd s GLU 76 Cb -0.08 -1.36 -0.00 0.00 0.10 0.00 0.00 34.13 32.79 1nfd s GLU 76 CO 0.00 0.35 0.19 1.41 0.02 0.00 0.00 175.26 177.24 1nfd s MET 77 N -0.93 3.30 -0.57 1.61 -2.45 -0.01 -2.65 119.30 117.59 1nfd s MET 77 Ca 0.06 -0.76 -0.22 0.00 -1.25 0.00 0.00 55.69 53.52 1nfd s MET 77 Cb -0.08 -3.67 0.06 0.00 1.25 0.00 0.00 34.83 32.39 1nfd s MET 77 CO 0.01 -0.48 0.86 1.21 1.05 0.00 0.00 175.02 177.67 1nfd s ASN 78 N 1.64 6.26 -0.05 1.11 3.84 -1.12 -0.55 114.94 126.06 1nfd s ASN 78 Ca 0.05 -0.70 -0.18 0.00 0.21 0.00 0.00 52.86 52.23 1nfd s ASN 78 Cb -0.17 -2.39 -0.05 0.00 -0.55 0.00 0.00 41.25 38.09 1nfd s ASN 78 CO 0.08 -1.20 0.50 -0.04 -2.79 0.00 0.00 177.10 173.65 1nfd s MET 79 N 3.60 4.25 -0.04 0.43 -1.94 0.11 -1.59 119.30 124.11 1nfd s MET 79 Ca 0.24 0.54 -0.10 0.00 -1.71 0.00 0.00 55.69 54.66 1nfd s MET 79 Cb -0.16 -3.36 0.02 0.00 2.01 0.00 0.00 34.83 33.34 1nfd s MET 79 CO 0.14 0.34 0.23 -1.12 -0.01 0.00 0.00 175.02 174.61 1nfd s SER 80 N -0.00 -0.16 -1.34 3.03 0.01 -1.21 -1.82 113.70 112.20 1nfd s SER 80 Ca 0.27 0.18 -0.06 0.00 1.31 0.00 0.00 55.95 57.65 1nfd s SER 80 Cb -0.16 0.37 0.02 0.00 0.21 0.00 0.00 66.02 66.45 1nfd s SER 80 CO 0.13 -0.27 1.02 0.00 0.41 0.00 0.00 173.24 174.54 1nfd n ALA 81 N 2.06 -1.61 -1.47 1.44 0.00 -1.09 -4.73 120.51 115.11 1nfd n ALA 81 Ca -0.18 0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.03 1nfd n ALA 81 Cb 0.57 -3.91 0.05 0.00 0.00 0.00 0.00 19.45 16.15 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 -4.59 1.81 -3.90 0.00 4.77 -0.32 -4.61 117.00 110.16 1nfd n LEU 82 Ca -0.12 0.72 -0.11 0.00 -0.03 0.00 0.00 56.01 56.48 1nfd n LEU 82 Cb 0.60 -1.26 -0.11 0.00 -2.33 0.00 0.00 43.42 40.32 1nfd n LEU 82 CO 0.66 -2.67 -0.26 -1.61 -1.33 0.00 0.00 177.39 172.19 1nfd s GLU 83 N -2.48 0.32 0.56 3.23 2.02 -1.26 -2.34 118.70 118.75 1nfd s GLU 83 Ca 0.71 -0.32 0.46 0.00 0.02 0.00 0.00 54.97 55.83 1nfd s GLU 83 Cb -0.41 0.13 1.64 0.00 0.10 0.00 0.00 34.13 35.58 1nfd s GLU 83 CO 0.52 -0.06 1.59 -0.07 0.02 0.00 0.00 175.26 177.26 1nfd h LEU 84 N 4.88 0.00 -0.89 1.80 3.38 -1.93 1.61 115.31 124.16 1nfd h LEU 84 Ca -0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 1nfd h LEU 84 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1nfd h LEU 84 CO 0.42 0.00 -0.47 -0.33 0.09 0.00 0.00 178.44 178.15 1nfd h GLU 85 N 0.00 0.00 0.00 1.13 4.39 -1.95 -2.68 114.58 115.47 1nfd h GLU 85 Ca 0.83 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.53 1nfd h GLU 85 Cb 3.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 32.06 1nfd h GLU 85 CO -0.01 0.47 0.00 -0.25 -1.16 0.00 0.00 179.01 178.06 1nfd n ASP 86 N -3.66 0.00 -4.65 1.42 8.00 0.55 -4.73 116.55 113.48 1nfd n ASP 86 Ca -0.01 -0.92 -0.43 0.00 0.71 0.00 0.00 54.79 54.15 1nfd n ASP 86 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.76 6.94 0.00 -2.24 0.01 -1.01 -4.88 113.70 110.77 1nfd s SER 87 Ca 0.21 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1nfd s SER 87 Cb 0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1nfd s SER 87 CO 0.16 -0.80 0.00 0.00 0.41 0.00 0.00 173.24 173.01 1nfd n ALA 88 N 6.73 0.00 -2.52 1.44 0.00 -1.17 -4.82 120.51 120.17 1nfd n ALA 88 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 1nfd n ALA 88 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.00 4.43 -0.92 0.00 -1.94 -1.01 -3.43 119.30 114.43 1nfd s MET 89 Ca 0.00 1.63 -0.04 0.00 -1.71 0.00 0.00 55.69 55.57 1nfd s MET 89 Cb 0.00 -3.47 0.23 0.00 2.01 0.00 0.00 34.83 33.60 1nfd s MET 89 CO 0.00 -0.29 0.83 0.71 -0.01 0.00 0.00 175.02 176.25 1nfd s TYR 90 N 1.58 3.94 0.47 -0.03 2.02 0.70 -1.02 117.35 125.01 1nfd s TYR 90 Ca 0.55 -2.92 -0.22 0.00 -0.37 0.00 0.00 57.07 54.11 1nfd s TYR 90 Cb -0.25 -3.37 -0.07 0.00 -0.40 0.00 0.00 41.96 37.87 1nfd s TYR 90 CO 0.25 -0.79 1.12 -0.06 -1.57 0.00 0.00 175.55 174.50 1nfd s PHE 91 N -1.22 2.92 -0.23 2.71 0.08 0.07 -2.50 117.98 119.82 1nfd s PHE 91 Ca 0.27 1.56 -0.00 0.00 0.12 0.00 0.00 56.93 58.88 1nfd s PHE 91 Cb -0.09 -3.26 0.06 0.00 -0.57 0.00 0.00 43.02 39.16 1nfd s PHE 91 CO -0.11 -1.25 -0.02 0.00 -0.10 0.00 0.00 175.22 173.73 1nfd s ALA 93 N 1.52 3.75 0.17 0.00 0.00 -0.96 -1.81 121.76 124.42 1nfd s ALA 93 Ca -0.04 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 1nfd s ALA 93 Cb -0.18 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1nfd s ALA 93 CO -0.07 0.51 0.06 -1.54 0.00 0.00 0.00 175.76 174.72 1nfd s SER 94 N -3.19 0.57 0.10 0.00 1.04 -0.60 -2.29 113.70 109.32 1nfd s SER 94 Ca 0.33 -1.25 -0.26 0.00 0.48 0.00 0.00 55.95 55.24 1nfd s SER 94 Cb -0.10 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.35 1nfd s SER 94 CO 0.26 -0.72 0.87 -0.94 0.98 0.00 0.00 173.24 173.69 1nfd s SER 95 N -3.12 -0.30 -0.72 7.02 1.04 -1.00 -1.07 113.70 115.54 1nfd s SER 95 Ca 0.28 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.45 1nfd s SER 95 Cb 0.07 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.69 1nfd s SER 95 CO 0.05 -0.83 2.80 -0.11 0.98 0.00 0.00 173.24 176.13 1nfd n LEU 96 N -0.37 6.91 -2.74 2.42 7.94 -1.26 -2.68 117.00 127.22 1nfd n LEU 96 Ca -0.08 -4.19 -0.01 0.00 -1.11 0.00 0.00 56.01 50.62 1nfd n LEU 96 Cb 0.61 -1.32 -0.01 0.00 0.53 0.00 0.00 43.42 43.24 1nfd n LEU 96 CO 0.12 1.85 -0.52 -2.11 -1.11 0.00 0.00 177.39 175.62 1nfd n ARG 97 N 1.55 -3.45 -0.39 1.96 1.85 -1.26 -3.54 116.66 113.38 1nfd n ARG 97 Ca 0.54 2.76 0.00 0.00 -1.00 0.00 0.00 57.85 60.15 1nfd n ARG 97 Cb 0.49 -5.07 0.00 0.00 -1.05 0.00 0.00 32.46 26.84 1nfd n ARG 97 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1nfd n TRP 98 N 0.88 0.00 -1.31 2.89 8.01 -1.26 -4.94 117.44 121.71 1nfd n TRP 98 Ca -0.05 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.79 1nfd n TRP 98 Cb 0.11 -0.96 0.10 0.00 -2.01 0.00 0.00 31.31 28.55 1nfd n TRP 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1nfd n GLY 99 N -2.00 -0.21 2.72 6.99 0.00 -1.23 -4.82 105.19 106.64 1nfd n GLY 99 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1nfd n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nfd n ASP 100 N -2.22 4.99 -2.77 1.61 9.92 -1.26 -4.63 116.55 122.19 1nfd n ASP 100 Ca 0.13 -2.93 0.03 0.00 -0.53 0.00 0.00 54.79 51.49 1nfd n ASP 100 Cb 0.50 -1.57 0.01 0.00 -0.64 0.00 0.00 41.12 39.42 1nfd n ASP 100 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1nfd s GLU 105 N 1.84 0.04 -0.76 -1.24 0.41 -1.26 -5.10 118.70 112.62 1nfd s GLU 105 Ca 0.47 -0.01 -0.12 0.00 -0.41 0.00 0.00 54.97 54.90 1nfd s GLU 105 Cb 0.13 0.01 0.20 0.00 -1.78 0.00 0.00 34.13 32.69 1nfd s GLU 105 CO -0.05 -0.06 0.68 -0.65 -0.49 0.00 0.00 175.26 174.69 1nfd s GLN 106 N 2.19 3.37 0.04 1.61 -0.21 -1.26 -4.33 119.66 121.07 1nfd s GLN 106 Ca 0.18 -2.39 -0.30 0.00 0.02 0.00 0.00 55.36 52.86 1nfd s GLN 106 Cb 0.04 -4.30 -0.05 0.00 1.00 0.00 0.00 33.01 29.70 1nfd s GLN 106 CO -0.18 -1.27 1.18 0.71 -2.12 0.00 0.00 175.29 173.61 1nfd s TYR 107 N 0.28 3.42 0.34 0.91 2.02 -0.23 -4.72 117.35 119.37 1nfd s TYR 107 Ca 0.16 1.32 -0.11 0.00 -0.37 0.00 0.00 57.07 58.07 1nfd s TYR 107 Cb -0.14 -3.40 -0.07 0.00 -0.40 0.00 0.00 41.96 37.95 1nfd s TYR 107 CO -0.07 -1.18 0.71 -0.06 -1.57 0.00 0.00 175.55 173.37 1nfd s PHE 108 N 1.19 3.43 0.38 2.71 0.40 -1.26 -1.56 117.98 123.27 1nfd s PHE 108 Ca 0.58 1.05 0.05 0.00 -0.60 0.00 0.00 56.93 58.01 1nfd s PHE 108 Cb -0.28 -2.42 -0.00 0.00 0.51 0.00 0.00 43.02 40.83 1nfd s PHE 108 CO 0.28 0.04 0.54 0.20 0.70 0.00 0.00 175.22 176.98 1nfd s GLY 109 N -2.72 1.66 0.34 4.36 0.00 -0.75 -4.78 107.32 105.41 1nfd s GLY 109 Ca 0.51 -1.41 0.12 0.00 0.00 0.00 0.00 44.72 43.94 1nfd s GLY 109 CO 0.25 -1.29 1.62 -0.56 0.00 0.00 0.00 173.10 173.12 1nfd h PRO 110 N 0.72 0.16 0.00 2.90 0.13 -1.89 -3.42 132.00 130.60 1nfd h PRO 110 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1nfd h PRO 110 Cb 1.26 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1nfd h PRO 110 CO 0.52 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 1nfd n GLY 111 N -1.33 0.69 3.57 1.56 0.00 -1.26 -4.96 105.19 103.45 1nfd n GLY 111 Ca 0.30 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.55 3.57 -0.41 2.61 2.01 -1.04 -4.56 115.64 115.27 1nfd s THR 112 Ca 0.00 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 1nfd s THR 112 Cb 0.00 -2.48 0.10 0.00 0.01 0.00 0.00 72.50 70.13 1nfd s THR 112 CO 0.00 0.53 0.21 -0.60 -0.69 0.00 0.00 174.62 174.07 1nfd s ARG 113 N -0.99 2.25 0.01 4.92 3.00 -0.33 -0.21 118.95 127.60 1nfd s ARG 113 Ca 0.14 -1.67 -0.01 0.00 -1.00 0.00 0.00 55.73 53.19 1nfd s ARG 113 Cb -0.11 -3.63 -0.04 0.00 0.00 0.00 0.00 34.95 31.18 1nfd s ARG 113 CO 0.03 -1.01 0.13 -1.17 0.00 0.00 0.00 175.30 173.28 1nfd s LEU 114 N 1.25 4.10 -0.25 -0.88 2.96 -1.22 -0.25 118.68 124.38 1nfd s LEU 114 Ca 0.05 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1nfd s LEU 114 Cb -0.23 -2.50 0.13 0.00 0.50 0.00 0.00 46.19 44.09 1nfd s LEU 114 CO -0.02 0.24 0.32 -0.89 -1.32 0.00 0.00 176.35 174.69 1nfd s THR 115 N -1.30 -0.48 -0.00 3.68 2.01 -0.67 -3.04 115.64 115.83 1nfd s THR 115 Ca 0.27 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 1nfd s THR 115 Cb -0.12 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1nfd s THR 115 CO 0.18 -0.27 1.15 -0.69 -0.69 0.00 0.00 174.62 174.30 1nfd s VAL 116 N 2.44 4.31 0.23 3.82 1.01 -1.26 -2.87 120.40 128.08 1nfd s VAL 116 Ca 0.10 1.65 0.08 0.00 0.00 0.00 0.00 61.98 63.81 1nfd s VAL 116 Cb -0.15 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1nfd s VAL 116 CO -0.22 0.07 0.06 -0.76 0.00 0.00 0.00 175.10 174.25 1nfd s LEU 116 N 1.55 3.43 0.18 3.92 1.43 0.78 -4.61 118.68 125.35 1nfd s LEU 116 Ca 0.56 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1nfd s LEU 116 Cb -0.25 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.01 1nfd s LEU 116 CO 0.26 0.02 1.41 -0.08 0.23 0.00 0.00 176.35 178.18 1nfd h GLU 117 N 2.06 0.20 -2.36 1.70 4.57 -1.96 -3.15 114.58 115.64 1nfd h GLU 117 Ca -0.46 -0.20 -0.09 0.00 -1.18 0.00 0.00 59.36 57.43 1nfd h GLU 117 Cb 1.23 0.05 -0.27 0.00 -0.16 0.00 0.00 28.75 29.60 1nfd h GLU 117 CO 0.60 0.92 -0.37 0.34 -1.18 0.00 0.00 179.01 179.32 1nfd s ASP 118 N -6.92 -0.27 0.23 1.04 2.15 -1.26 -4.86 116.67 106.78 1nfd s ASP 118 Ca -0.03 0.92 -0.06 0.00 0.43 0.00 0.00 52.55 53.81 1nfd s ASP 118 Cb 0.10 1.40 0.39 0.00 -0.30 0.00 0.00 42.92 44.51 1nfd s ASP 118 CO 0.82 -0.24 1.73 0.25 -0.17 0.00 0.00 175.17 177.56 1nfd h LEU 119 N 8.16 0.22 -1.32 -1.34 5.85 -1.93 0.64 115.31 125.59 1nfd h LEU 119 Ca -0.17 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1nfd h LEU 119 Cb 1.12 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1nfd h LEU 119 CO 0.14 0.09 0.31 0.03 -0.34 0.00 0.00 178.44 178.68 1nfd h ARG 120 N 0.40 0.00 0.00 1.25 -0.00 -1.95 0.47 114.38 114.55 1nfd h ARG 120 Ca 0.37 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.84 1nfd h ARG 120 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.51 1nfd h ARG 120 CO -0.38 0.00 -0.05 -0.91 0.00 0.00 0.00 179.97 178.63 1nfd h ASN 121 N 0.00 0.00 -3.30 7.04 2.35 -0.09 -3.45 115.58 118.13 1nfd h ASN 121 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1nfd h ASN 121 Cb 0.62 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.05 1nfd h ASN 121 CO 0.00 0.05 0.79 -0.69 -1.65 0.00 0.00 177.43 175.93 1nfd s VAL 122 N -3.52 2.57 -0.07 2.81 1.01 0.15 -4.68 120.40 118.67 1nfd s VAL 122 Ca 0.03 0.47 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 1nfd s VAL 122 Cb 0.08 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1nfd s VAL 122 CO 0.60 0.07 0.26 -0.89 0.00 0.00 0.00 175.10 175.13 1nfd s THR 123 N 0.14 0.02 0.89 3.92 2.01 0.06 -4.83 115.64 117.85 1nfd s THR 123 Ca 0.61 -0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.33 1nfd s THR 123 Cb -0.43 -0.42 0.13 0.00 0.01 0.00 0.00 72.50 71.78 1nfd s THR 123 CO 0.42 -0.09 1.09 -2.84 -0.69 0.00 0.00 174.62 172.52 1nfd s PRO 124 N -0.30 1.30 0.81 4.92 0.02 -1.26 -1.55 135.00 138.94 1nfd s PRO 124 Ca -0.04 1.00 -0.12 0.00 0.02 0.00 0.00 61.00 61.86 1nfd s PRO 124 Cb -0.03 -1.80 0.08 0.00 0.02 0.00 0.00 34.50 32.76 1nfd s PRO 124 CO 0.01 -2.26 1.15 -1.25 -0.33 0.00 0.00 177.00 174.32 1nfd s PRO 125 N -4.85 2.01 -0.32 5.54 0.04 -1.26 -4.32 135.00 131.83 1nfd s PRO 125 Ca 0.64 0.26 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 1nfd s PRO 125 Cb -0.19 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1nfd s PRO 125 CO 0.57 -1.59 0.12 0.21 0.04 0.00 0.00 177.00 176.35 1nfd s LYS 126 N -5.44 0.70 -0.15 4.56 2.47 -0.99 -4.95 119.74 115.94 1nfd s LYS 126 Ca 0.61 -1.10 -0.12 0.00 -1.56 0.00 0.00 55.97 53.80 1nfd s LYS 126 Cb -0.12 -1.90 -0.05 0.00 -1.46 0.00 0.00 37.83 34.30 1nfd s LYS 126 CO 0.51 -1.01 0.26 0.54 0.16 0.00 0.00 175.35 175.80 1nfd s VAL 127 N 1.54 5.32 -0.01 4.02 0.11 -1.26 -1.73 120.40 128.40 1nfd s VAL 127 Ca 0.11 0.47 0.02 0.00 -2.93 0.00 0.00 61.98 59.65 1nfd s VAL 127 Cb -0.18 -3.58 -0.00 0.00 -1.53 0.00 0.00 36.38 31.09 1nfd s VAL 127 CO -0.23 0.45 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.47 1nfd s SER 128 N 0.10 0.91 -0.39 3.54 0.01 -1.18 -4.51 113.70 112.18 1nfd s SER 128 Ca 0.16 -0.14 -0.09 0.00 1.31 0.00 0.00 55.95 57.19 1nfd s SER 128 Cb -0.13 -0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.03 1nfd s SER 128 CO 0.04 0.08 0.21 -0.22 0.41 0.00 0.00 173.24 173.76 1nfd s LEU 129 N -0.10 4.82 -0.10 2.44 2.96 -1.26 -1.96 118.68 125.48 1nfd s LEU 129 Ca 0.02 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.46 1nfd s LEU 129 Cb -0.04 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1nfd s LEU 129 CO -0.00 -0.44 0.61 -0.36 -1.32 0.00 0.00 176.35 174.83 1nfd s PHE 130 N 1.46 3.54 0.69 5.38 0.40 0.60 -4.99 117.98 125.06 1nfd s PHE 130 Ca 0.02 1.08 -0.11 0.00 -0.60 0.00 0.00 56.93 57.32 1nfd s PHE 130 Cb -0.21 -2.70 0.01 0.00 0.51 0.00 0.00 43.02 40.62 1nfd s PHE 130 CO 0.04 0.10 1.07 -1.21 0.70 0.00 0.00 175.22 175.92 1nfd s GLU 131 N 0.80 2.96 1.13 0.44 2.02 -1.26 -1.67 118.70 123.13 1nfd s GLU 131 Ca 0.32 0.71 -0.18 0.00 0.02 0.00 0.00 54.97 55.85 1nfd s GLU 131 Cb -0.17 -2.01 0.17 0.00 0.10 0.00 0.00 34.13 32.22 1nfd s GLU 131 CO 0.14 -1.02 0.25 -2.30 0.02 0.00 0.00 175.26 172.35 1nfd n PRO 132 N -3.04 -2.26 -3.99 0.39 -0.02 -1.26 -4.78 135.00 120.05 1nfd n PRO 132 Ca 0.07 -0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 60.54 1nfd n PRO 132 Cb 0.55 -1.68 -0.12 0.00 -0.02 0.00 0.00 33.50 32.23 1nfd n PRO 132 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nfd s SER 133 N -2.05 5.06 0.28 2.55 0.15 -1.26 -4.98 113.70 113.46 1nfd s SER 133 Ca 0.52 -0.15 -0.02 0.00 0.70 0.00 0.00 55.95 57.00 1nfd s SER 133 Cb -0.11 -1.88 0.63 0.00 -1.71 0.00 0.00 66.02 62.95 1nfd s SER 133 CO 0.55 0.06 1.59 0.11 1.20 0.00 0.00 173.24 176.76 1nfd h LYS 134 N 7.53 0.05 0.15 5.44 6.56 -1.96 0.55 116.57 134.89 1nfd h LYS 134 Ca -0.36 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.22 1nfd h LYS 134 Cb 1.18 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1nfd h LYS 134 CO 0.62 0.03 -0.10 0.00 -2.06 0.00 0.00 179.45 177.94 1nfd h ALA 135 N 1.89 -0.96 -0.90 3.86 0.00 -1.97 -1.65 119.26 119.52 1nfd h ALA 135 Ca 0.53 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.52 1nfd h ALA 135 Cb 1.02 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 1nfd h ALA 135 CO -0.84 -0.95 -0.38 -1.91 0.00 0.00 0.00 179.25 175.17 1nfd n GLU 136 N -2.79 -0.24 -0.06 0.00 2.13 -0.50 0.13 120.64 119.32 1nfd n GLU 136 Ca -0.03 1.38 -0.10 0.00 0.66 0.00 0.00 57.16 59.08 1nfd n GLU 136 Cb 0.10 -2.05 -0.04 0.00 0.27 0.00 0.00 31.44 29.72 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 0.21 0.50 6.31 5.03 -0.57 0.51 117.51 129.50 1nfd h ILE 137 Ca 0.29 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 65.01 1nfd h ILE 137 Cb 0.51 0.21 0.00 0.00 -3.03 0.00 0.00 36.82 34.51 1nfd h ILE 137 CO -0.89 0.00 -0.27 0.00 -0.68 0.00 0.00 178.15 176.31 1nfd h ALA 138 N 0.48 -1.16 -0.54 1.87 0.00 0.69 0.22 119.26 120.82 1nfd h ALA 138 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nfd h ALA 138 Cb 0.57 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1nfd h ALA 138 CO -0.47 -1.12 0.00 0.09 0.00 0.00 0.00 179.25 177.75 1nfd n ASN 139 N -4.01 0.00 0.00 0.00 4.13 0.01 -3.64 115.26 111.75 1nfd n ASN 139 Ca -0.09 0.91 0.11 0.00 1.68 0.00 0.00 54.58 57.20 1nfd n ASN 139 Cb 0.29 -0.41 0.53 0.00 -1.54 0.00 0.00 39.78 38.64 1nfd n ASN 139 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1nfd n LYS 140 N -1.85 0.09 -3.51 3.52 5.02 0.13 -4.93 118.16 116.63 1nfd n LYS 140 Ca 0.00 0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 56.19 1nfd n LYS 140 Cb 0.00 -1.50 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 -1.45 -6.32 -3.58 1.97 1.13 0.77 -4.98 117.38 104.93 1nfd n GLN 141 Ca 0.07 0.79 -0.12 0.00 -1.94 0.00 0.00 57.00 55.81 1nfd n GLN 141 Cb 0.25 -5.71 -0.04 0.00 0.11 0.00 0.00 30.24 24.85 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 -5.60 1.10 -0.15 -1.09 1.02 -1.23 -3.88 119.74 109.91 1nfd s LYS 142 Ca 0.06 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.51 1nfd s LYS 142 Cb -0.03 0.49 0.03 0.00 -0.52 0.00 0.00 37.83 37.81 1nfd s LYS 142 CO 0.75 -0.43 -0.09 0.00 -0.92 0.00 0.00 175.35 174.65 1nfd s ALA 143 N -3.44 1.66 -0.40 5.17 0.00 -0.06 -2.40 121.76 122.30 1nfd s ALA 143 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 1nfd s ALA 143 Cb 0.01 -1.08 0.07 0.00 0.00 0.00 0.00 23.12 22.11 1nfd s ALA 143 CO -0.10 -0.58 0.22 0.99 0.00 0.00 0.00 175.76 176.29 1nfd s THR 144 N 1.56 4.08 -0.12 0.00 2.01 -1.26 -0.95 115.64 120.95 1nfd s THR 144 Ca 0.03 -1.35 -0.26 0.00 0.31 0.00 0.00 61.69 60.41 1nfd s THR 144 Cb -0.14 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 1nfd s THR 144 CO -0.09 -0.43 0.85 -0.76 -0.69 0.00 0.00 174.62 173.51 1nfd s LEU 145 N 1.41 4.23 -0.17 4.42 1.43 0.12 -3.98 118.68 126.14 1nfd s LEU 145 Ca 0.02 1.29 -0.03 0.00 -1.03 0.00 0.00 54.13 54.38 1nfd s LEU 145 Cb -0.22 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1nfd s LEU 145 CO 0.02 -0.35 -0.05 -0.69 0.23 0.00 0.00 176.35 175.51 1nfd s VAL 146 N 1.78 3.65 -0.09 -1.59 1.01 -0.67 -1.35 120.40 123.15 1nfd s VAL 146 Ca 0.41 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1nfd s VAL 146 Cb -0.17 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1nfd s VAL 146 CO 0.16 0.48 -0.11 0.00 0.00 0.00 0.00 175.10 175.63 1nfd s LEU 148 N -0.36 1.64 -0.09 0.00 2.96 -0.83 -0.80 118.68 121.20 1nfd s LEU 148 Ca 0.04 -0.97 -0.19 0.00 -0.22 0.00 0.00 54.13 52.79 1nfd s LEU 148 Cb -0.12 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 1nfd s LEU 148 CO 0.02 -0.29 0.53 0.00 -1.32 0.00 0.00 176.35 175.29 1nfd s ALA 149 N 1.71 3.46 0.16 5.97 0.00 -0.08 -3.10 121.76 129.88 1nfd s ALA 149 Ca -0.02 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.88 1nfd s ALA 149 Cb -0.18 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 1nfd s ALA 149 CO -0.08 0.02 -0.09 1.03 0.00 0.00 0.00 175.76 176.64 1nfd s ARG 150 N 0.49 1.12 -0.19 0.00 0.52 -0.71 -1.34 118.95 118.84 1nfd s ARG 150 Ca 0.28 -1.49 -0.17 0.00 -0.52 0.00 0.00 55.73 53.83 1nfd s ARG 150 Cb -0.16 -0.65 0.02 0.00 0.52 0.00 0.00 34.95 34.68 1nfd s ARG 150 CO 0.13 0.06 0.28 0.41 0.02 0.00 0.00 175.30 176.19 1nfd n GLY 151 N -0.24 0.08 3.26 -3.53 0.00 -0.53 -2.34 105.19 101.89 1nfd n GLY 151 Ca -0.09 0.49 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.10 -0.04 -0.28 1.61 -0.12 -1.20 -4.50 117.98 112.35 1nfd s PHE 152 Ca 0.16 -0.30 -0.18 0.00 -0.05 0.00 0.00 56.93 56.57 1nfd s PHE 152 Cb -0.02 0.10 0.11 0.00 -0.63 0.00 0.00 43.02 42.58 1nfd s PHE 152 CO 0.37 -0.60 0.85 0.12 -0.05 0.00 0.00 175.22 175.90 1nfd s PHE 153 N -3.61 -0.78 0.00 3.49 5.36 -0.59 -1.65 117.98 120.20 1nfd s PHE 153 Ca 0.02 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 1nfd s PHE 153 Cb 0.03 0.46 0.00 0.00 -0.34 0.00 0.00 43.02 43.17 1nfd s PHE 153 CO -0.10 -0.38 0.00 -0.35 -1.46 0.00 0.00 175.22 172.92 1nfd n PRO 154 N 3.74 0.20 -0.94 10.12 -0.04 -1.26 -0.76 135.00 146.06 1nfd n PRO 154 Ca -0.18 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1nfd n PRO 154 Cb 0.58 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.03 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 -2.51 6.11 -3.72 3.54 5.75 -1.26 -4.72 116.55 119.73 1nfd n ASP 155 Ca 0.00 -2.90 -0.42 0.00 -0.01 0.00 0.00 54.79 51.47 1nfd n ASP 155 Cb 0.00 -1.15 0.01 0.00 -1.03 0.00 0.00 41.12 38.95 1nfd n ASP 155 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1nfd n HIS 156 N 0.92 2.65 -4.41 2.11 8.25 -1.26 -4.96 115.22 118.52 1nfd n HIS 156 Ca 0.29 -2.72 -0.24 0.00 -0.26 0.00 0.00 57.72 54.79 1nfd n HIS 156 Cb 0.59 -1.65 -0.09 0.00 1.12 0.00 0.00 29.99 29.97 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 -1.55 2.73 -0.25 1.59 -7.23 -1.26 -1.52 120.40 112.91 1nfd s VAL 157 Ca 0.43 -2.20 -0.03 0.00 -1.81 0.00 0.00 61.98 58.36 1nfd s VAL 157 Cb 0.13 -2.54 0.10 0.00 0.56 0.00 0.00 36.38 34.64 1nfd s VAL 157 CO -0.03 -0.35 0.21 -1.61 -0.31 0.00 0.00 175.10 173.01 1nfd s GLU 158 N -3.59 0.21 0.41 4.82 2.02 0.05 -4.95 118.70 117.67 1nfd s GLU 158 Ca 0.31 -0.10 -0.23 0.00 0.02 0.00 0.00 54.97 54.97 1nfd s GLU 158 Cb -0.04 -1.11 -0.10 0.00 0.10 0.00 0.00 34.13 32.99 1nfd s GLU 158 CO 0.17 -0.85 1.00 -1.17 0.02 0.00 0.00 175.26 174.43 1nfd s LEU 159 N 2.26 4.08 -0.14 1.80 0.20 -1.26 -0.56 118.68 125.06 1nfd s LEU 159 Ca 0.08 1.89 -0.10 0.00 0.69 0.00 0.00 54.13 56.68 1nfd s LEU 159 Cb -0.15 -4.31 0.04 0.00 -0.43 0.00 0.00 46.19 41.34 1nfd s LEU 159 CO -0.24 -0.42 0.35 -0.44 -0.29 0.00 0.00 176.35 175.31 1nfd s SER 160 N -1.81 -0.39 -0.11 3.68 0.01 0.32 -4.93 113.70 110.47 1nfd s SER 160 Ca 0.59 0.72 -0.10 0.00 1.31 0.00 0.00 55.95 58.48 1nfd s SER 160 Cb -0.17 0.68 -0.05 0.00 0.21 0.00 0.00 66.02 66.69 1nfd s SER 160 CO 0.22 -0.15 0.21 0.26 0.41 0.00 0.00 173.24 174.18 1nfd s TRP 161 N 0.71 3.59 -0.13 2.43 0.52 -1.26 0.27 118.94 125.06 1nfd s TRP 161 Ca -0.04 0.61 -0.02 0.00 0.02 0.00 0.00 56.10 56.67 1nfd s TRP 161 Cb -0.05 -2.07 0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1nfd s TRP 161 CO -0.05 0.62 -0.00 -1.58 0.02 0.00 0.00 176.95 175.96 1nfd s TRP 162 N -0.74 1.03 -0.20 -1.98 0.52 0.97 -2.52 118.94 116.01 1nfd s TRP 162 Ca 0.16 -0.59 -0.02 0.00 0.02 0.00 0.00 56.10 55.67 1nfd s TRP 162 Cb -0.13 -1.00 0.00 0.00 -1.15 0.00 0.00 33.47 31.19 1nfd s TRP 162 CO 0.05 -0.48 -0.11 0.54 0.02 0.00 0.00 176.95 176.97 1nfd s VAL 163 N 1.86 2.86 -1.39 4.03 0.11 -0.11 0.02 120.40 127.77 1nfd s VAL 163 Ca 0.02 -0.67 -0.10 0.00 -2.93 0.00 0.00 61.98 58.31 1nfd s VAL 163 Cb -0.14 -2.27 0.02 0.00 -1.53 0.00 0.00 36.38 32.46 1nfd s VAL 163 CO -0.07 0.47 1.16 0.59 -3.33 0.00 0.00 175.10 173.92 1nfd n ASN 164 N 4.69 -6.14 0.00 3.54 3.02 -0.37 -1.83 115.26 118.16 1nfd n ASN 164 Ca -0.19 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1nfd n ASN 164 Cb 0.51 -4.85 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 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 -1.96 2.47 3.72 7.41 0.00 -1.26 -4.98 105.19 110.59 1nfd n GLY 165 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 3.36 0.61 1.61 1.02 -0.76 -5.07 119.74 120.51 1nfd s LYS 166 Ca 0.00 -0.32 -0.17 0.00 0.02 0.00 0.00 55.97 55.50 1nfd s LYS 166 Cb 0.00 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.28 1nfd s LYS 166 CO 0.00 0.62 1.14 -2.00 -0.92 0.00 0.00 175.35 174.19 1nfd s GLU 167 N -0.61 2.96 0.07 1.68 2.12 -1.26 -0.93 118.70 122.72 1nfd s GLU 167 Ca 0.11 1.58 -0.00 0.00 0.36 0.00 0.00 54.97 57.01 1nfd s GLU 167 Cb -0.12 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.28 1nfd s GLU 167 CO 0.02 -1.16 -0.03 0.54 -0.54 0.00 0.00 175.26 174.09 1nfd s VAL 168 N -1.98 0.34 0.00 3.70 0.11 -1.05 -4.83 120.40 116.70 1nfd s VAL 168 Ca 0.71 -1.85 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 1nfd s VAL 168 Cb -0.24 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.01 1nfd s VAL 168 CO 0.35 -0.93 0.00 1.41 -3.33 0.00 0.00 175.10 172.60 1nfd n HIS 169 N 0.06 0.00 -1.69 1.54 8.25 -1.26 -4.56 115.22 117.56 1nfd n HIS 169 Ca -0.13 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.89 1nfd n HIS 169 Cb 0.61 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.68 1nfd n HIS 169 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nfd n SER 170 N -0.93 3.57 0.00 0.41 2.88 -1.26 -0.91 113.62 117.39 1nfd n SER 170 Ca 0.00 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1nfd n SER 170 Cb 0.00 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 1nfd n SER 170 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nfd n GLY 171 N 3.85 2.77 3.80 0.46 0.00 -1.26 -4.84 105.19 109.97 1nfd n GLY 171 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.16 4.44 -0.32 1.61 -7.23 -0.09 -2.69 120.40 113.96 1nfd s VAL 172 Ca 0.00 1.51 0.03 0.00 -1.81 0.00 0.00 61.98 61.71 1nfd s VAL 172 Cb 0.00 -3.96 0.16 0.00 0.56 0.00 0.00 36.38 33.14 1nfd s VAL 172 CO 0.00 0.27 0.43 -0.55 -0.31 0.00 0.00 175.10 174.94 1nfd s SER 173 N -1.52 0.31 0.19 4.85 0.15 0.13 -4.98 113.70 112.83 1nfd s SER 173 Ca 0.43 -0.66 -0.18 0.00 0.70 0.00 0.00 55.95 56.25 1nfd s SER 173 Cb -0.19 1.10 -0.08 0.00 -1.71 0.00 0.00 66.02 65.15 1nfd s SER 173 CO 0.23 -0.32 0.66 -0.89 1.20 0.00 0.00 173.24 174.12 1nfd s THR 174 N 2.26 4.68 0.27 6.45 2.01 -1.26 -1.53 115.64 128.52 1nfd s THR 174 Ca 0.12 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 1nfd s THR 174 Cb -0.12 -3.81 -0.14 0.00 0.01 0.00 0.00 72.50 68.44 1nfd s THR 174 CO -0.23 0.23 1.07 0.47 -0.69 0.00 0.00 174.62 175.47 1nfd n ASP 175 N 0.77 1.46 0.20 3.53 8.00 0.10 -4.89 116.55 125.72 1nfd n ASP 175 Ca -0.04 1.17 -0.08 0.00 0.71 0.00 0.00 54.79 56.56 1nfd n ASP 175 Cb 0.51 -1.30 -0.04 0.00 -0.02 0.00 0.00 41.12 40.28 1nfd n ASP 175 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1nfd h PRO 176 N 2.32 -0.50 -5.79 -0.24 0.13 -1.95 -3.43 132.00 122.54 1nfd h PRO 176 Ca -0.41 0.03 -0.68 0.00 -0.87 0.00 0.00 66.00 64.07 1nfd h PRO 176 Cb 1.33 0.11 -0.31 0.00 0.13 0.00 0.00 31.00 32.27 1nfd h PRO 176 CO 0.63 -0.33 -0.86 -1.14 -0.23 0.00 0.00 178.00 176.06 1nfd s GLN 177 N -4.13 2.76 0.79 0.86 0.74 -1.26 -5.12 119.66 114.30 1nfd s GLN 177 Ca -0.08 -0.86 -0.14 0.00 0.05 0.00 0.00 55.36 54.33 1nfd s GLN 177 Cb 0.01 -2.26 0.07 0.00 1.10 0.00 0.00 33.01 31.93 1nfd s GLN 177 CO 0.23 0.33 1.21 0.00 -0.55 0.00 0.00 175.29 176.50 1nfd s ALA 178 N -0.02 1.92 0.21 1.58 0.00 -1.26 -5.01 121.76 119.17 1nfd s ALA 178 Ca -0.07 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.79 1nfd s ALA 178 Cb -0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1nfd s ALA 178 CO 0.05 -2.18 0.27 0.71 0.00 0.00 0.00 175.76 174.61 1nfd s TYR 179 N -2.10 3.34 -1.11 0.00 1.51 0.66 -4.87 117.35 114.79 1nfd s TYR 179 Ca 0.73 -0.00 -0.14 0.00 -1.01 0.00 0.00 57.07 56.65 1nfd s TYR 179 Cb -0.29 -1.55 0.18 0.00 -0.11 0.00 0.00 41.96 40.19 1nfd s TYR 179 CO 0.49 0.49 1.27 0.15 -1.11 0.00 0.00 175.55 176.84 1nfd s LYS 180 N -3.62 3.97 0.43 -0.62 -0.14 -1.26 -0.58 119.74 117.92 1nfd s LYS 180 Ca 0.33 -2.50 0.18 0.00 -1.36 0.00 0.00 55.97 52.63 1nfd s LYS 180 Cb -0.09 -4.91 1.11 0.00 -1.68 0.00 0.00 37.83 32.26 1nfd s LYS 180 CO 0.27 -1.65 1.86 1.49 -0.76 0.00 0.00 175.35 176.57 1nfd h GLU 181 N 7.48 0.36 0.00 1.68 4.57 0.47 -3.44 114.58 125.71 1nfd h GLU 181 Ca 0.24 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 1nfd h GLU 181 Cb 0.92 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1nfd h GLU 181 CO 1.14 0.24 -0.01 -1.13 -1.18 0.00 0.00 179.01 178.07 1nfd n SER 182 N -4.49 -0.04 0.08 1.04 3.41 0.37 -4.95 113.62 109.04 1nfd n SER 182 Ca 0.19 -1.07 -0.07 0.00 -0.26 0.00 0.00 58.87 57.65 1nfd n SER 182 Cb 0.70 0.08 0.04 0.00 -0.26 0.00 0.00 64.21 64.77 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 0.07 0.26 -0.69 4.04 -1.24 -2.02 -3.27 115.58 112.74 1nfd h ASN 186 Ca -0.01 -0.19 -0.50 0.00 0.71 0.00 0.00 56.30 56.32 1nfd h ASN 186 Cb 0.04 -0.08 -0.41 0.00 0.73 0.00 0.00 38.32 38.61 1nfd h ASN 186 CO 0.01 0.93 -0.83 -1.22 -1.29 0.00 0.00 177.43 175.03 1nfd n TYR 187 N -3.75 2.49 -3.52 0.67 4.01 -1.26 -4.99 117.16 110.81 1nfd n TYR 187 Ca -0.03 -2.17 -0.01 0.00 -0.16 0.00 0.00 57.90 55.53 1nfd n TYR 187 Cb 0.73 -0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 39.39 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 -3.59 -1.06 0.44 7.72 0.15 -1.23 -4.81 113.70 111.31 1nfd s SER 189 Ca 0.48 1.30 0.08 0.00 0.70 0.00 0.00 55.95 58.52 1nfd s SER 189 Cb 0.40 2.13 0.01 0.00 -1.71 0.00 0.00 66.02 66.86 1nfd s SER 189 CO 0.03 -0.23 0.55 -0.31 1.20 0.00 0.00 173.24 174.47 1nfd s TYR 190 N 2.85 2.56 0.12 3.44 1.51 -0.66 0.11 117.35 127.27 1nfd s TYR 190 Ca 0.02 -0.48 -0.17 0.00 -1.01 0.00 0.00 57.07 55.42 1nfd s TYR 190 Cb -0.13 -2.29 0.04 0.00 -0.11 0.00 0.00 41.96 39.47 1nfd s TYR 190 CO -0.19 -0.45 0.42 -1.12 -1.11 0.00 0.00 175.55 173.11 1nfd s SER 191 N -4.34 -0.28 -0.29 2.29 0.01 0.26 -1.46 113.70 109.89 1nfd s SER 191 Ca 0.54 -0.24 -0.12 0.00 1.31 0.00 0.00 55.95 57.43 1nfd s SER 191 Cb -0.08 0.48 0.12 0.00 0.21 0.00 0.00 66.02 66.76 1nfd s SER 191 CO 0.32 -0.84 0.69 -0.22 0.41 0.00 0.00 173.24 173.60 1nfd s LEU 192 N -2.70 -1.04 0.30 2.44 2.96 -0.45 -0.25 118.68 119.94 1nfd s LEU 192 Ca 0.02 1.49 0.08 0.00 -0.22 0.00 0.00 54.13 55.50 1nfd s LEU 192 Cb 0.01 2.27 -0.04 0.00 0.50 0.00 0.00 46.19 48.94 1nfd s LEU 192 CO -0.11 -0.22 0.13 -0.94 -1.32 0.00 0.00 176.35 173.89 1nfd s SER 193 N 2.49 4.86 0.03 3.68 1.04 -1.26 -0.90 113.70 123.65 1nfd s SER 193 Ca -0.07 -0.61 -0.18 0.00 0.48 0.00 0.00 55.95 55.57 1nfd s SER 193 Cb -0.09 -0.91 0.04 0.00 0.10 0.00 0.00 66.02 65.15 1nfd s SER 193 CO -0.19 -0.18 0.41 -0.55 0.98 0.00 0.00 173.24 173.71 1nfd s SER 194 N -3.82 -0.29 0.02 7.02 0.15 0.02 -0.72 113.70 116.09 1nfd s SER 194 Ca 0.36 0.03 0.05 0.00 0.70 0.00 0.00 55.95 57.09 1nfd s SER 194 Cb -0.05 0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1nfd s SER 194 CO 0.23 -0.64 -0.15 0.00 1.20 0.00 0.00 173.24 173.88 1nfd s ARG 195 N -2.29 1.06 -0.06 5.44 1.70 -0.58 -0.98 118.95 123.23 1nfd s ARG 195 Ca -0.06 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.53 1nfd s ARG 195 Cb -0.01 -1.06 0.02 0.00 -0.57 0.00 0.00 34.95 33.32 1nfd s ARG 195 CO -0.01 0.28 -0.07 -1.17 -1.08 0.00 0.00 175.30 173.25 1nfd s LEU 196 N -0.82 1.32 -0.09 -1.89 2.96 -0.45 0.22 118.68 119.92 1nfd s LEU 196 Ca 0.04 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1nfd s LEU 196 Cb -0.07 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.99 1nfd s LEU 196 CO 0.01 -0.05 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.18 1nfd s ARG 197 N 1.08 2.92 0.26 1.98 3.52 -1.10 0.15 118.95 127.77 1nfd s ARG 197 Ca -0.08 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.73 1nfd s ARG 197 Cb -0.14 -2.36 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 1nfd s ARG 197 CO -0.01 0.31 0.08 0.14 -0.81 0.00 0.00 175.30 175.02 1nfd s VAL 198 N 0.04 0.66 0.75 7.11 -7.23 -0.12 -4.74 120.40 116.88 1nfd s VAL 198 Ca -0.08 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 57.96 1nfd s VAL 198 Cb -0.15 -2.63 0.05 0.00 0.56 0.00 0.00 36.38 34.21 1nfd s VAL 198 CO 0.05 -0.03 1.15 -0.94 -0.31 0.00 0.00 175.10 175.02 1nfd s SER 199 N -3.33 4.22 0.32 4.85 1.04 -1.26 -0.88 113.70 118.67 1nfd s SER 199 Ca 0.37 2.15 0.26 0.00 0.48 0.00 0.00 55.95 59.20 1nfd s SER 199 Cb 0.08 -2.56 1.09 0.00 0.10 0.00 0.00 66.02 64.72 1nfd s SER 199 CO 0.13 -2.23 1.77 0.00 0.98 0.00 0.00 173.24 173.89 1nfd h ALA 200 N -0.65 1.00 0.08 5.32 0.00 -1.86 -1.35 119.26 121.80 1nfd h ALA 200 Ca -0.46 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1nfd h ALA 200 Cb 1.27 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1nfd h ALA 200 CO 0.49 0.00 -0.57 1.15 0.00 0.00 0.00 179.25 180.32 1nfd h THR 201 N 0.00 1.56 -0.45 0.00 2.02 -1.91 -2.87 112.91 111.26 1nfd h THR 201 Ca 0.00 -2.44 -0.06 0.00 0.77 0.00 0.00 66.41 64.68 1nfd h THR 201 Cb 0.36 3.20 -0.02 0.00 -1.74 0.00 0.00 68.15 69.96 1nfd h THR 201 CO 0.00 0.66 0.04 0.15 0.37 0.00 0.00 175.52 176.74 1nfd h PHE 202 N -0.63 0.75 -0.11 3.16 3.04 -1.82 -2.62 116.94 118.71 1nfd h PHE 202 Ca -0.11 -0.08 -0.13 0.00 3.98 0.00 0.00 57.97 61.62 1nfd h PHE 202 Cb 1.40 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 1nfd h PHE 202 CO 0.22 0.68 -0.51 2.35 -2.02 0.00 0.00 178.31 179.03 1nfd h TRP 203 N 0.68 0.38 0.00 0.41 2.91 -1.36 -3.11 115.95 115.86 1nfd h TRP 203 Ca 0.14 -0.13 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 1nfd h TRP 203 Cb 0.36 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 28.93 1nfd h TRP 203 CO 0.02 0.76 -0.09 0.45 -1.03 0.00 0.00 178.44 178.55 1nfd h HIS 204 N 0.24 0.00 -2.82 2.65 3.86 -1.23 0.28 115.15 118.13 1nfd h HIS 204 Ca 0.01 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.65 1nfd h HIS 204 Cb 0.99 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 1nfd h HIS 204 CO 0.02 0.09 1.22 1.21 0.86 0.00 0.00 177.93 181.33 1nfd s ASN 205 N -6.03 6.00 0.00 2.45 3.84 -1.06 -2.50 114.94 117.64 1nfd s ASN 205 Ca 0.03 1.15 0.02 0.00 0.21 0.00 0.00 52.86 54.27 1nfd s ASN 205 Cb 0.08 -2.53 0.08 0.00 -0.55 0.00 0.00 41.25 38.33 1nfd s ASN 205 CO 0.62 -1.65 1.04 -2.65 -2.79 0.00 0.00 177.10 171.67 1nfd n PRO 206 N 8.35 0.00 -1.06 0.43 -0.02 -1.26 -1.11 135.00 140.33 1nfd n PRO 206 Ca 0.21 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.99 1nfd n PRO 206 Cb 0.47 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.67 1nfd n PRO 206 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nfd n ARG 207 N -1.47 2.53 -4.00 -0.52 5.12 -1.26 -4.12 116.66 112.93 1nfd n ARG 207 Ca 0.01 -3.06 -0.31 0.00 -1.93 0.00 0.00 57.85 52.55 1nfd n ARG 207 Cb 0.02 -2.09 -0.16 0.00 -1.16 0.00 0.00 32.46 29.07 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 -1.55 3.74 0.06 0.55 0.01 -0.27 -5.00 114.94 112.49 1nfd s ASN 208 Ca 0.53 -1.07 -0.20 0.00 -0.71 0.00 0.00 52.86 51.42 1nfd s ASN 208 Cb 0.45 -1.30 -0.06 0.00 0.41 0.00 0.00 41.25 40.75 1nfd s ASN 208 CO 0.09 -0.17 0.58 -2.28 -1.51 0.00 0.00 177.10 173.81 1nfd s HIS 209 N 1.33 3.79 -0.06 2.20 5.65 -1.26 -1.99 115.29 124.94 1nfd s HIS 209 Ca -0.04 1.27 0.02 0.00 0.25 0.00 0.00 55.06 56.56 1nfd s HIS 209 Cb -0.18 -2.53 0.02 0.00 -1.18 0.00 0.00 32.58 28.71 1nfd s HIS 209 CO -0.07 0.54 -0.09 -0.06 -0.65 0.00 0.00 174.74 174.40 1nfd s PHE 210 N -0.91 1.22 -0.02 3.88 0.40 0.44 -1.24 117.98 121.75 1nfd s PHE 210 Ca 0.30 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1nfd s PHE 210 Cb -0.19 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.41 1nfd s PHE 210 CO 0.19 -0.27 0.00 0.50 0.70 0.00 0.00 175.22 176.34 1nfd s ARG 211 N 0.85 0.19 -0.46 0.44 3.00 0.10 -0.27 118.95 122.80 1nfd s ARG 211 Ca -0.12 0.07 -0.10 0.00 -1.00 0.00 0.00 55.73 54.59 1nfd s ARG 211 Cb -0.15 -0.35 0.11 0.00 0.00 0.00 0.00 34.95 34.56 1nfd s ARG 211 CO 0.01 -0.10 0.34 0.00 0.00 0.00 0.00 175.30 175.55 1nfd s GLN 213 N 1.39 4.04 -0.39 0.00 0.74 0.14 -1.90 119.66 123.68 1nfd s GLN 213 Ca 0.05 -0.07 -0.05 0.00 0.05 0.00 0.00 55.36 55.34 1nfd s GLN 213 Cb -0.26 -3.61 0.09 0.00 1.10 0.00 0.00 33.01 30.33 1nfd s GLN 213 CO 0.00 -0.14 0.18 0.08 -0.55 0.00 0.00 175.29 174.86 1nfd s VAL 214 N 1.65 3.53 -0.25 1.34 1.01 0.50 0.12 120.40 128.30 1nfd s VAL 214 Ca 0.13 -1.72 -0.29 0.00 0.00 0.00 0.00 61.98 60.09 1nfd s VAL 214 Cb -0.15 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1nfd s VAL 214 CO 0.09 -0.52 1.33 -1.58 0.00 0.00 0.00 175.10 174.41 1nfd s GLN 215 N 1.25 3.99 -0.02 2.72 0.74 0.28 -2.43 119.66 126.19 1nfd s GLN 215 Ca 0.04 1.41 -0.01 0.00 0.05 0.00 0.00 55.36 56.86 1nfd s GLN 215 Cb -0.22 -3.87 -0.04 0.00 1.10 0.00 0.00 33.01 29.98 1nfd s GLN 215 CO -0.02 -1.02 0.05 0.12 -0.55 0.00 0.00 175.29 173.87 1nfd s PHE 216 N 4.22 3.23 -0.28 1.67 5.36 0.84 -0.77 117.98 132.25 1nfd s PHE 216 Ca 0.58 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 1nfd s PHE 216 Cb -0.19 -1.74 0.05 0.00 -0.34 0.00 0.00 43.02 40.80 1nfd s PHE 216 CO 0.21 0.53 -0.05 -1.01 -1.46 0.00 0.00 175.22 173.45 1nfd s HIS 217 N -1.11 3.27 0.00 10.12 3.76 -0.57 -0.61 115.29 130.15 1nfd s HIS 217 Ca 0.20 -2.07 0.00 0.00 -0.15 0.00 0.00 55.06 53.04 1nfd s HIS 217 Cb -0.12 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1nfd s HIS 217 CO 0.10 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.57 1nfd n GLY 218 N 4.54 3.19 3.92 -2.22 0.00 -1.26 -4.69 105.19 108.66 1nfd n GLY 218 Ca -0.13 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 2.91 0.00 0.99 1.02 -0.65 -4.49 118.68 118.46 1nfd s LEU 219 Ca 0.00 0.64 0.00 0.00 0.02 0.00 0.00 54.13 54.79 1nfd s LEU 219 Cb 0.00 -3.34 0.00 0.00 0.02 0.00 0.00 46.19 42.87 1nfd s LEU 219 CO 0.00 -1.45 0.00 -0.24 0.02 0.00 0.00 176.35 174.68 1nfd n SER 220 N -2.88 0.00 -0.35 2.29 2.88 -1.26 -3.90 113.62 110.41 1nfd n SER 220 Ca 0.07 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.84 1nfd n SER 220 Cb 0.59 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.54 1nfd n SER 220 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1nfd h GLU 221 N 0.00 0.38 -2.30 -1.46 5.08 -2.04 -0.24 114.58 114.01 1nfd h GLU 221 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1nfd h GLU 221 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1nfd h GLU 221 CO 0.00 0.25 0.11 -0.85 -1.00 0.00 0.00 179.01 177.52 1nfd n GLU 222 N -4.81 0.38 -1.54 2.33 -0.00 -1.26 -4.76 120.64 110.98 1nfd n GLU 222 Ca 0.29 -0.11 -0.32 0.00 -0.00 0.00 0.00 57.16 57.02 1nfd n GLU 222 Cb 0.94 -1.47 -0.07 0.00 -0.00 0.00 0.00 31.44 30.83 1nfd n GLU 222 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1nfd n ASP 223 N 2.27 1.60 -3.05 -1.84 5.75 -0.10 -4.81 116.55 116.38 1nfd n ASP 223 Ca 0.05 -0.57 -0.31 0.00 -0.01 0.00 0.00 54.79 53.95 1nfd n ASP 223 Cb 0.18 -1.41 -0.01 0.00 -1.03 0.00 0.00 41.12 38.85 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 8.66 3.79 -3.30 0.11 4.76 -1.26 -5.03 118.16 125.89 1nfd n LYS 224 Ca 0.46 -4.68 -0.41 0.00 -2.87 0.00 0.00 58.31 50.82 1nfd n LYS 224 Cb 0.40 -2.30 -0.08 0.00 -1.84 0.00 0.00 35.03 31.21 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 -3.74 3.21 -0.79 2.13 -0.00 -1.26 -4.98 118.94 113.50 1nfd s TRP 225 Ca 0.47 0.24 -0.25 0.00 -0.00 0.00 0.00 56.10 56.56 1nfd s TRP 225 Cb 0.29 -2.79 -0.17 0.00 -0.00 0.00 0.00 33.47 30.79 1nfd s TRP 225 CO -0.16 -0.43 2.46 -2.30 -0.00 0.00 0.00 176.95 176.51 1nfd n PRO 226 N 5.58 0.46 -0.74 5.86 -0.01 -1.26 -4.64 135.00 140.24 1nfd n PRO 226 Ca -0.06 -0.17 -0.13 0.00 -0.01 0.00 0.00 63.50 63.14 1nfd n PRO 226 Cb 0.49 -2.49 -0.11 0.00 -0.01 0.00 0.00 33.50 31.38 1nfd n PRO 226 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1nfd n GLU 227 N 8.22 0.00 0.00 -0.52 4.07 -1.26 -3.83 120.64 127.32 1nfd n GLU 227 Ca 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 1nfd n GLU 227 Cb 0.30 -0.54 0.00 0.00 -0.06 0.00 0.00 31.44 31.14 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 2.80 0.17 3.59 8.31 0.00 -1.26 -5.15 105.19 113.65 1nfd n GLY 228 Ca 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 -0.26 0.38 1.61 0.15 -1.25 -5.15 113.70 109.18 1nfd s SER 229 Ca 0.00 -0.12 -0.27 0.00 0.70 0.00 0.00 55.95 56.26 1nfd s SER 229 Cb 0.00 0.36 -0.11 0.00 -1.71 0.00 0.00 66.02 64.56 1nfd s SER 229 CO 0.00 -0.62 1.32 -0.81 1.20 0.00 0.00 173.24 174.33 1nfd n PRO 230 N -0.31 2.14 -2.64 5.44 -0.04 -1.26 -4.90 135.00 133.43 1nfd n PRO 230 Ca -0.07 0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 63.72 1nfd n PRO 230 Cb 0.61 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 1nfd n PRO 230 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1nfd s LYS 231 N -2.07 4.45 -0.94 0.54 2.20 -1.26 -4.97 119.74 117.69 1nfd s LYS 231 Ca 0.57 1.46 -0.24 0.00 -0.36 0.00 0.00 55.97 57.41 1nfd s LYS 231 Cb -0.52 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.34 1nfd s LYS 231 CO 0.61 -0.26 1.38 -1.25 -0.36 0.00 0.00 175.35 175.47 1nfd s PRO 232 N 1.71 3.48 0.40 4.03 0.04 -1.26 -4.98 135.00 138.43 1nfd s PRO 232 Ca 0.51 -0.93 0.03 0.00 0.04 0.00 0.00 61.00 60.65 1nfd s PRO 232 Cb -0.21 -5.02 -0.01 0.00 0.04 0.00 0.00 34.50 29.31 1nfd s PRO 232 CO 0.22 -2.16 0.59 0.08 0.04 0.00 0.00 177.00 175.77 1nfd s VAL 233 N 5.02 4.03 0.24 -0.36 1.01 -1.26 -1.64 120.40 127.44 1nfd s VAL 233 Ca 0.42 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 1nfd s VAL 233 Cb -0.03 -3.45 -0.14 0.00 0.00 0.00 0.00 36.38 32.76 1nfd s VAL 233 CO -0.03 -0.26 1.33 0.35 0.00 0.00 0.00 175.10 176.49 1nfd n THR 234 N -1.91 1.10 -3.44 3.92 -2.24 -1.25 -4.10 114.28 106.37 1nfd n THR 234 Ca 0.01 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1nfd n THR 234 Cb 0.58 -1.35 -0.02 0.00 -2.10 0.00 0.00 70.33 67.43 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 -0.61 1.22 -0.31 -0.78 -2.07 0.22 -4.82 119.66 112.50 1nfd s GLN 235 Ca 0.67 -0.37 -0.08 0.00 -1.82 0.00 0.00 55.36 53.76 1nfd s GLN 235 Cb -0.68 0.56 0.01 0.00 -1.09 0.00 0.00 33.01 31.82 1nfd s GLN 235 CO 0.52 -0.52 0.11 -0.80 -1.32 0.00 0.00 175.29 173.28 1nfd s ASN 236 N -2.54 5.30 -0.16 12.60 0.01 -1.26 -0.11 114.94 128.77 1nfd s ASN 236 Ca -0.00 -0.78 -0.02 0.00 -0.71 0.00 0.00 52.86 51.35 1nfd s ASN 236 Cb -0.01 -1.92 -0.01 0.00 0.41 0.00 0.00 41.25 39.72 1nfd s ASN 236 CO -0.10 -0.24 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.53 1nfd s ILE 237 N 1.51 3.27 0.27 0.60 1.01 -1.02 -4.92 121.20 121.92 1nfd s ILE 237 Ca 0.02 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1nfd s ILE 237 Cb -0.18 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1nfd s ILE 237 CO 0.04 0.49 0.08 -0.94 0.00 0.00 0.00 174.94 174.61 1nfd s SER 238 N 0.67 1.51 -0.08 3.58 1.04 -1.26 -0.37 113.70 118.78 1nfd s SER 238 Ca -0.05 -1.36 -0.03 0.00 0.48 0.00 0.00 55.95 54.98 1nfd s SER 238 Cb -0.15 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.11 1nfd s SER 238 CO 0.02 -0.68 0.17 0.00 0.98 0.00 0.00 173.24 173.73 1nfd s ALA 239 N -3.62 -0.26 0.30 5.32 0.00 -0.80 -4.88 121.76 117.82 1nfd s ALA 239 Ca 0.36 0.67 0.05 0.00 0.00 0.00 0.00 51.96 53.04 1nfd s ALA 239 Cb 0.08 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1nfd s ALA 239 CO 0.13 -0.41 0.01 -1.83 0.00 0.00 0.00 175.76 173.66 1nfd s GLU 240 N 1.86 1.59 0.25 0.00 -1.05 -1.26 -0.93 118.70 119.15 1nfd s GLU 240 Ca -0.02 -1.85 -0.18 0.00 -0.15 0.00 0.00 54.97 52.78 1nfd s GLU 240 Cb -0.12 -0.96 0.01 0.00 -0.44 0.00 0.00 34.13 32.62 1nfd s GLU 240 CO -0.06 -0.09 0.60 0.00 0.95 0.00 0.00 175.26 176.65 1nfd s ALA 241 N -3.19 -0.84 0.00 -0.84 0.00 0.63 -4.98 121.76 112.55 1nfd s ALA 241 Ca 0.33 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1nfd s ALA 241 Cb 0.07 0.93 0.00 0.00 0.00 0.00 0.00 23.12 24.11 1nfd s ALA 241 CO 0.13 -0.92 0.00 0.91 0.00 0.00 0.00 175.76 175.88 1nfd n TRP 242 N -0.41 0.00 0.00 0.00 7.02 -1.26 -0.42 117.44 122.37 1nfd n TRP 242 Ca -0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.43 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 -2.63 3.72 6.99 0.00 -0.84 -4.79 105.19 112.64 1nfd n GLY 243 Ca 0.00 -0.99 -0.63 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 0.49 -1.00 1.61 0.63 0.09 -4.85 116.66 113.62 1nfd n ARG 244 Ca 0.00 0.18 -0.35 0.00 -0.92 0.00 0.00 57.85 56.75 1nfd n ARG 244 Cb 0.00 -1.76 0.06 0.00 0.45 0.00 0.00 32.46 31.22 1nfd n ARG 244 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nfd n ALA 245 N 4.45 -3.84 -3.48 5.13 0.00 -1.26 -4.87 120.51 116.64 1nfd n ALA 245 Ca 0.29 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 1nfd n ALA 245 Cb 0.03 -1.46 -0.17 0.00 0.00 0.00 0.00 19.45 17.85 1nfd n ALA 245 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nfd s ASP 246 N -1.37 3.18 0.00 0.00 2.15 -1.26 -5.16 116.67 114.21 1nfd s ASP 246 Ca 0.50 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.91 1nfd s ASP 246 Cb -0.25 -1.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.93 1nfd s ASP 246 CO 0.73 0.11 0.50 0.00 -0.17 0.00 0.00 175.17 176.35