#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 -0.17 -0.43 -2.24 1.04 -0.10 -4.99 113.70 106.81 1nfd s SER 2 Ca 0.00 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.47 1nfd s SER 2 Cb 0.00 0.18 0.13 0.00 0.10 0.00 0.00 66.02 66.42 1nfd s SER 2 CO 0.00 -0.28 0.20 0.54 0.98 0.00 0.00 173.24 174.68 1nfd s VAL 3 N -2.41 1.64 0.15 5.02 0.11 -1.26 0.81 120.40 124.46 1nfd s VAL 3 Ca 0.08 -2.51 -0.23 0.00 -2.93 0.00 0.00 61.98 56.39 1nfd s VAL 3 Cb -0.01 -2.16 -0.08 0.00 -1.53 0.00 0.00 36.38 32.60 1nfd s VAL 3 CO -0.05 -0.81 0.73 0.28 -3.33 0.00 0.00 175.10 171.91 1nfd s THR 4 N 0.48 4.47 0.06 5.04 -1.32 0.58 -4.02 115.64 120.93 1nfd s THR 4 Ca 0.16 1.55 -0.06 0.00 -1.21 0.00 0.00 61.69 62.13 1nfd s THR 4 Cb -0.23 -4.05 -0.01 0.00 -1.51 0.00 0.00 72.50 66.69 1nfd s THR 4 CO -0.04 0.49 0.11 0.00 -2.21 0.00 0.00 174.62 172.97 1nfd s GLN 5 N -1.25 0.72 0.04 7.08 -2.07 -1.26 -0.43 119.66 122.49 1nfd s GLN 5 Ca 0.35 -0.97 -0.23 0.00 -1.82 0.00 0.00 55.36 52.70 1nfd s GLN 5 Cb -0.22 0.28 -0.12 0.00 -1.09 0.00 0.00 33.01 31.86 1nfd s GLN 5 CO 0.24 -0.19 0.56 2.41 -1.32 0.00 0.00 175.29 176.98 1nfd n THR 6 N 0.21 0.45 -0.00 3.63 -1.04 -0.41 -4.81 114.28 112.30 1nfd n THR 6 Ca -0.16 -0.11 0.11 0.00 -2.04 0.00 0.00 64.05 61.85 1nfd n THR 6 Cb 0.61 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.96 1nfd n THR 6 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1nfd n GLU 7 N 0.84 0.66 0.00 -2.82 1.02 -1.26 -4.39 120.64 114.68 1nfd n GLU 7 Ca 0.12 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1nfd n GLU 7 Cb 0.09 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1nfd n GLU 7 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nfd n GLY 8 N 1.26 -3.53 3.00 0.62 0.00 -1.26 -4.85 105.19 100.43 1nfd n GLY 8 Ca -0.04 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1nfd n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nfd s LEU 9 N 0.00 4.63 -1.38 0.99 2.01 -1.26 -4.17 118.68 119.50 1nfd s LEU 9 Ca 0.00 -2.48 -0.13 0.00 0.01 0.00 0.00 54.13 51.52 1nfd s LEU 9 Cb 0.00 -1.65 0.08 0.00 0.01 0.00 0.00 46.19 44.64 1nfd s LEU 9 CO 0.00 -0.33 2.02 0.52 1.01 0.00 0.00 176.35 179.57 1nfd n VAL 10 N 3.83 3.80 -1.96 -1.59 0.31 -1.22 -4.94 118.33 116.56 1nfd n VAL 10 Ca 0.04 -3.63 -0.42 0.00 -0.01 0.00 0.00 64.34 60.33 1nfd n VAL 10 Cb 0.38 -2.50 -0.02 0.00 -0.91 0.00 0.00 33.84 30.79 1nfd n VAL 10 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1nfd s THR 11 N 2.58 2.57 0.02 2.52 2.01 -1.26 -4.10 115.64 119.97 1nfd s THR 11 Ca 0.46 0.45 -0.02 0.00 0.31 0.00 0.00 61.69 62.89 1nfd s THR 11 Cb 0.10 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 1nfd s THR 11 CO -0.03 0.06 0.01 -0.69 -0.69 0.00 0.00 174.62 173.28 1nfd s VAL 12 N 0.37 0.11 0.08 3.82 1.01 -0.92 -4.97 120.40 119.90 1nfd s VAL 12 Ca 0.63 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 1nfd s VAL 12 Cb -0.43 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 1nfd s VAL 12 CO 0.40 -0.52 0.60 -0.89 0.00 0.00 0.00 175.10 174.69 1nfd s THR 13 N -1.69 4.70 0.22 3.92 2.01 -1.26 0.30 115.64 123.85 1nfd s THR 13 Ca -0.13 1.29 -0.32 0.00 0.31 0.00 0.00 61.69 62.84 1nfd s THR 13 Cb -0.08 -3.94 -0.14 0.00 0.01 0.00 0.00 72.50 68.36 1nfd s THR 13 CO -0.01 0.54 1.32 -1.84 -0.69 0.00 0.00 174.62 173.94 1nfd n GLU 14 N 1.80 1.76 0.00 4.92 0.28 -0.15 -2.20 120.64 127.04 1nfd n GLU 14 Ca -0.09 0.62 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 1nfd n GLU 14 Cb 0.50 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 31.15 1nfd n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nfd n GLY 15 N 2.07 2.88 3.47 -1.84 0.00 -0.74 -4.78 105.19 106.25 1nfd n GLY 15 Ca 0.12 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 1nfd n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nfd n LEU 16 N 0.00 0.01 -4.85 0.99 4.77 -0.94 -3.27 117.00 113.71 1nfd n LEU 16 Ca 0.00 0.15 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 1nfd n LEU 16 Cb 0.00 -1.24 0.03 0.00 -2.33 0.00 0.00 43.42 39.88 1nfd n LEU 16 CO 0.00 -3.05 0.72 -2.84 -1.33 0.00 0.00 177.39 170.89 1nfd s PRO 17 N -4.03 3.17 0.11 3.23 0.02 0.82 -2.56 135.00 135.76 1nfd s PRO 17 Ca 0.62 0.74 0.06 0.00 0.02 0.00 0.00 61.00 62.44 1nfd s PRO 17 Cb -0.21 -2.03 -0.03 0.00 0.02 0.00 0.00 34.50 32.25 1nfd s PRO 17 CO 0.64 -0.88 -0.14 0.08 -0.33 0.00 0.00 177.00 176.37 1nfd s VAL 18 N -3.17 1.29 -0.30 3.83 1.01 0.40 -4.92 120.40 118.53 1nfd s VAL 18 Ca 0.57 -1.58 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 1nfd s VAL 18 Cb -0.12 -1.40 0.17 0.00 0.00 0.00 0.00 36.38 35.03 1nfd s VAL 18 CO 0.54 -0.34 0.65 -0.75 0.00 0.00 0.00 175.10 175.20 1nfd s LYS 19 N -2.35 0.55 -0.38 2.72 2.20 -1.25 -0.27 119.74 120.96 1nfd s LYS 19 Ca 0.05 1.15 -0.02 0.00 -0.36 0.00 0.00 55.97 56.80 1nfd s LYS 19 Cb -0.07 0.67 0.10 0.00 -1.51 0.00 0.00 37.83 37.02 1nfd s LYS 19 CO 0.03 -0.43 0.14 -0.51 -0.36 0.00 0.00 175.35 174.23 1nfd s LEU 20 N 2.87 4.92 0.01 5.43 1.43 0.51 -4.96 118.68 128.89 1nfd s LEU 20 Ca 0.09 -1.89 -0.30 0.00 -1.03 0.00 0.00 54.13 51.00 1nfd s LEU 20 Cb -0.13 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 1nfd s LEU 20 CO -0.20 -0.46 1.53 0.20 0.23 0.00 0.00 176.35 177.65 1nfd s ASN 21 N 1.59 6.73 -0.06 2.29 0.01 -1.26 -2.11 114.94 122.13 1nfd s ASN 21 Ca 0.06 2.26 0.01 0.00 -0.71 0.00 0.00 52.86 54.47 1nfd s ASN 21 Cb -0.22 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 38.91 1nfd s ASN 21 CO -0.04 -0.81 -0.07 0.00 -1.51 0.00 0.00 177.10 174.67 1nfd s THR 23 N 1.08 1.07 0.48 0.00 -4.23 0.42 -1.79 115.64 112.67 1nfd s THR 23 Ca -0.08 -0.74 0.06 0.00 -1.18 0.00 0.00 61.69 59.75 1nfd s THR 23 Cb -0.14 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 1nfd s THR 23 CO -0.01 0.17 0.28 -0.72 -0.54 0.00 0.00 174.62 173.81 1nfd s TYR 24 N -0.53 2.14 -0.29 3.99 1.13 -1.25 -0.30 117.35 122.24 1nfd s TYR 24 Ca 0.04 -0.72 0.04 0.00 -1.41 0.00 0.00 57.07 55.01 1nfd s TYR 24 Cb -0.06 -1.93 0.18 0.00 -1.10 0.00 0.00 41.96 39.04 1nfd s TYR 24 CO 0.00 -0.12 0.48 -1.14 -2.51 0.00 0.00 175.55 172.26 1nfd s GLN 25 N -4.09 0.47 0.18 -3.49 0.74 0.24 -4.93 119.66 108.79 1nfd s GLN 25 Ca 0.35 0.30 0.09 0.00 0.05 0.00 0.00 55.36 56.16 1nfd s GLN 25 Cb 0.00 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 33.99 1nfd s GLN 25 CO 0.21 -1.03 -0.19 0.95 -0.55 0.00 0.00 175.29 174.68 1nfd s THR 26 N 2.66 1.90 -0.28 -0.34 -4.23 -1.26 -0.92 115.64 113.17 1nfd s THR 26 Ca 0.10 -1.98 0.20 0.00 -1.18 0.00 0.00 61.69 58.83 1nfd s THR 26 Cb -0.12 -1.91 -0.28 0.00 1.34 0.00 0.00 72.50 71.53 1nfd s THR 26 CO -0.28 -0.32 0.55 0.35 -0.54 0.00 0.00 174.62 174.38 1nfd n THR 27 N 0.19 0.00 -4.21 3.99 -2.24 -1.26 -4.98 114.28 105.77 1nfd n THR 27 Ca -0.12 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.09 1nfd n THR 27 Cb 0.57 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 1nfd n THR 27 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1nfd s TYR 28 N -3.23 2.77 -0.17 4.78 2.02 -1.26 -5.06 117.35 117.20 1nfd s TYR 28 Ca -0.03 -0.24 -0.29 0.00 -0.37 0.00 0.00 57.07 56.13 1nfd s TYR 28 Cb 0.13 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 1nfd s TYR 28 CO 0.82 0.53 1.83 -1.17 -1.57 0.00 0.00 175.55 175.99 1nfd s LEU 29 N -3.75 3.91 0.27 -1.29 0.20 -1.26 -4.58 118.68 112.18 1nfd s LEU 29 Ca 0.33 1.90 -0.30 0.00 0.69 0.00 0.00 54.13 56.75 1nfd s LEU 29 Cb -0.06 -3.53 -0.12 0.00 -0.43 0.00 0.00 46.19 42.06 1nfd s LEU 29 CO 0.21 -1.38 1.62 0.35 -0.29 0.00 0.00 176.35 176.87 1nfd n THR 30 N 6.53 0.81 -0.06 3.68 -2.24 -1.26 -1.82 114.28 119.92 1nfd n THR 30 Ca 0.21 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1nfd n THR 30 Cb 0.44 -1.95 -0.15 0.00 -2.10 0.00 0.00 70.33 66.57 1nfd n THR 30 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1nfd n ILE 30 N 2.50 1.53 -3.62 2.28 5.41 0.38 -4.91 119.36 122.93 1nfd n ILE 30 Ca 0.10 -0.79 -0.04 0.00 1.00 0.00 0.00 62.75 63.02 1nfd n ILE 30 Cb 0.36 -0.90 -0.03 0.00 -0.71 0.00 0.00 39.64 38.36 1nfd n ILE 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nfd s ALA 31 N -2.55 -2.09 0.10 -1.39 0.00 -1.21 -4.80 121.76 109.81 1nfd s ALA 31 Ca -0.10 1.76 0.09 0.00 0.00 0.00 0.00 51.96 53.71 1nfd s ALA 31 Cb 0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1nfd s ALA 31 CO 0.81 -0.40 -0.23 -0.06 0.00 0.00 0.00 175.76 175.87 1nfd s PHE 32 N -1.62 2.01 0.10 0.00 0.40 -0.11 -1.43 117.98 117.34 1nfd s PHE 32 Ca 0.08 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1nfd s PHE 32 Cb -0.01 -1.12 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 1nfd s PHE 32 CO -0.05 0.22 0.08 -0.06 0.70 0.00 0.00 175.22 176.11 1nfd s PHE 33 N -1.04 0.58 -0.12 0.36 0.40 -0.95 -0.58 117.98 116.63 1nfd s PHE 33 Ca 0.09 -1.02 -0.00 0.00 -0.60 0.00 0.00 56.93 55.40 1nfd s PHE 33 Cb -0.10 -0.33 0.02 0.00 0.51 0.00 0.00 43.02 43.12 1nfd s PHE 33 CO 0.04 -0.50 -0.09 -1.58 0.70 0.00 0.00 175.22 173.79 1nfd s TRP 34 N -3.97 1.58 -0.13 0.36 0.52 0.71 -1.64 118.94 116.37 1nfd s TRP 34 Ca 0.15 -0.80 -0.04 0.00 0.02 0.00 0.00 56.10 55.43 1nfd s TRP 34 Cb 0.07 -1.28 -0.03 0.00 -1.15 0.00 0.00 33.47 31.08 1nfd s TRP 34 CO -0.04 -0.52 0.02 0.71 0.02 0.00 0.00 176.95 177.14 1nfd s TYR 35 N 1.62 3.19 -0.18 -1.98 2.02 0.02 0.52 117.35 122.56 1nfd s TYR 35 Ca 0.04 0.09 -0.00 0.00 -0.37 0.00 0.00 57.07 56.83 1nfd s TYR 35 Cb -0.13 -1.91 0.01 0.00 -0.40 0.00 0.00 41.96 39.53 1nfd s TYR 35 CO -0.08 0.31 -0.15 0.54 -1.57 0.00 0.00 175.55 174.60 1nfd s VAL 36 N -0.31 2.55 -0.37 0.71 0.11 0.13 -0.60 120.40 122.63 1nfd s VAL 36 Ca 0.07 -0.78 -0.08 0.00 -2.93 0.00 0.00 61.98 58.26 1nfd s VAL 36 Cb -0.12 -2.10 0.05 0.00 -1.53 0.00 0.00 36.38 32.68 1nfd s VAL 36 CO 0.02 0.50 0.17 -1.58 -3.33 0.00 0.00 175.10 170.89 1nfd s GLN 37 N 1.22 2.63 0.05 1.54 0.74 0.21 -1.97 119.66 124.08 1nfd s GLN 37 Ca 0.02 -1.27 -0.29 0.00 0.05 0.00 0.00 55.36 53.88 1nfd s GLN 37 Cb -0.14 -3.61 -0.05 0.00 1.10 0.00 0.00 33.01 30.31 1nfd s GLN 37 CO -0.07 -0.78 0.92 0.71 -0.55 0.00 0.00 175.29 175.53 1nfd s TYR 38 N 1.43 3.73 0.02 1.67 2.02 -1.26 -1.74 117.35 123.21 1nfd s TYR 38 Ca 0.01 1.68 -0.29 0.00 -0.37 0.00 0.00 57.07 58.10 1nfd s TYR 38 Cb -0.21 -3.03 -0.15 0.00 -0.40 0.00 0.00 41.96 38.18 1nfd s TYR 38 CO 0.03 0.12 0.76 -0.11 -1.57 0.00 0.00 175.55 174.78 1nfd n LEU 39 N 3.29 -0.11 -2.19 -1.29 -0.00 -1.26 0.36 117.00 115.80 1nfd n LEU 39 Ca 0.03 0.87 -0.18 0.00 -0.00 0.00 0.00 56.01 56.72 1nfd n LEU 39 Cb 0.50 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 43.23 1nfd n LEU 39 CO 0.51 -1.52 -0.18 -3.20 -0.00 0.00 0.00 177.39 173.00 1nfd n ASN 40 N 1.16 -5.32 -3.96 1.96 5.15 -1.26 -4.99 115.26 108.00 1nfd n ASN 40 Ca 0.15 -0.07 -0.08 0.00 -0.60 0.00 0.00 54.58 53.97 1nfd n ASN 40 Cb 0.07 -4.33 -0.08 0.00 -0.53 0.00 0.00 39.78 34.91 1nfd n ASN 40 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1nfd s GLU 41 N -5.05 0.79 0.58 1.20 0.41 0.16 -5.16 118.70 111.63 1nfd s GLU 41 Ca 0.06 -1.09 -0.13 0.00 -0.41 0.00 0.00 54.97 53.40 1nfd s GLU 41 Cb -0.03 0.29 -0.05 0.00 -1.78 0.00 0.00 34.13 32.56 1nfd s GLU 41 CO 0.08 -0.22 1.01 0.00 -0.49 0.00 0.00 175.26 175.64 1nfd s ALA 42 N -3.90 3.09 -0.01 5.21 0.00 -1.26 -4.48 121.76 120.41 1nfd s ALA 42 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 1nfd s ALA 42 Cb 0.06 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1nfd s ALA 42 CO -0.09 -0.53 1.63 -2.14 0.00 0.00 0.00 175.76 174.63 1nfd s PRO 43 N -4.79 4.20 0.25 0.00 0.02 -1.26 -4.47 135.00 128.95 1nfd s PRO 43 Ca 0.56 2.22 0.10 0.00 0.02 0.00 0.00 61.00 63.90 1nfd s PRO 43 Cb -0.11 -3.83 -0.04 0.00 0.02 0.00 0.00 34.50 30.54 1nfd s PRO 43 CO 0.46 -0.79 -0.06 -0.65 -0.33 0.00 0.00 177.00 175.63 1nfd s GLN 44 N 3.46 2.13 0.19 5.54 -0.21 -0.83 -4.93 119.66 125.01 1nfd s GLN 44 Ca 0.73 -1.45 -0.30 0.00 0.02 0.00 0.00 55.36 54.36 1nfd s GLN 44 Cb -0.35 -2.09 -0.08 0.00 1.00 0.00 0.00 33.01 31.49 1nfd s GLN 44 CO 0.30 0.37 1.07 0.08 -2.12 0.00 0.00 175.29 175.00 1nfd s VAL 45 N -2.23 3.88 -0.12 1.09 1.01 -1.26 0.22 120.40 122.99 1nfd s VAL 45 Ca 0.30 1.68 0.16 0.00 0.00 0.00 0.00 61.98 64.11 1nfd s VAL 45 Cb -0.07 -4.07 -0.23 0.00 0.00 0.00 0.00 36.38 32.01 1nfd s VAL 45 CO 0.18 0.31 0.17 -0.11 0.00 0.00 0.00 175.10 175.66 1nfd n LEU 46 N 2.14 0.00 0.00 3.92 7.94 0.18 -4.76 117.00 126.42 1nfd n LEU 46 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1nfd n LEU 46 Cb 0.46 0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.68 1nfd n LEU 46 CO 0.53 0.27 0.00 0.00 -1.11 0.00 0.00 177.39 177.08 1nfd n LEU 47 N -2.45 0.00 -4.03 -1.96 -0.00 -1.08 -4.26 117.00 103.22 1nfd n LEU 47 Ca -0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.74 1nfd n LEU 47 Cb 0.85 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 44.16 1nfd n LEU 47 CO 0.36 0.00 -0.35 -1.59 -0.00 0.00 0.00 177.39 175.81 1nfd s LYS 48 N -1.85 0.46 0.10 1.47 0.00 -1.26 -0.21 119.74 118.46 1nfd s LYS 48 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 55.97 54.95 1nfd s LYS 48 Cb 0.00 0.16 0.01 0.00 0.00 0.00 0.00 37.83 38.00 1nfd s LYS 48 CO 0.00 -0.08 0.27 0.45 0.00 0.00 0.00 175.35 175.98 1nfd s SER 49 N -2.17 -0.01 0.00 0.03 0.15 0.25 -4.93 113.70 107.02 1nfd s SER 49 Ca -0.05 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1nfd s SER 49 Cb -0.01 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1nfd s SER 49 CO -0.05 -0.77 0.00 -1.20 1.20 0.00 0.00 173.24 172.41 1nfd n SER 50 N -0.12 1.81 -3.29 5.45 7.64 -1.26 -0.93 113.62 122.93 1nfd n SER 50 Ca -0.15 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.60 1nfd n SER 50 Cb 0.63 0.26 0.07 0.00 -1.01 0.00 0.00 64.21 64.16 1nfd n SER 50 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1nfd n THR 51 N -0.81 0.00 -1.68 0.44 -2.24 -1.26 -4.93 114.28 103.79 1nfd n THR 51 Ca 0.00 -0.79 -0.36 0.00 -2.27 0.00 0.00 64.05 60.63 1nfd n THR 51 Cb 0.10 -1.19 0.06 0.00 -2.10 0.00 0.00 70.33 67.20 1nfd n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1nfd n ASP 52 N -3.00 7.35 -0.10 3.42 -0.08 -1.26 -4.71 116.55 118.17 1nfd n ASP 52 Ca 0.09 -3.81 0.00 0.00 -1.51 0.00 0.00 54.79 49.56 1nfd n ASP 52 Cb 0.30 -0.96 0.00 0.00 2.34 0.00 0.00 41.12 42.80 1nfd n ASP 52 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1nfd n ASN 53 N -0.72 1.74 -4.56 1.67 5.15 -1.26 -4.83 115.26 112.44 1nfd n ASN 53 Ca 0.57 -0.05 -0.33 0.00 -0.60 0.00 0.00 54.58 54.17 1nfd n ASN 53 Cb 0.49 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.63 1nfd n ASN 53 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1nfd s LYS 54 N 1.10 2.67 0.12 1.20 2.20 -1.26 -3.10 119.74 122.67 1nfd s LYS 54 Ca 0.00 -0.60 0.10 0.00 -0.36 0.00 0.00 55.97 55.11 1nfd s LYS 54 Cb 0.00 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 1nfd s LYS 54 CO 0.00 0.65 -0.26 0.50 -0.36 0.00 0.00 175.35 175.88 1nfd s ARG 55 N -0.90 1.35 -0.11 4.03 3.00 -1.18 -5.01 118.95 120.13 1nfd s ARG 55 Ca 0.13 -1.30 -0.04 0.00 -1.00 0.00 0.00 55.73 53.52 1nfd s ARG 55 Cb -0.11 -1.79 0.06 0.00 0.00 0.00 0.00 34.95 33.11 1nfd s ARG 55 CO 0.02 0.42 0.21 0.99 0.00 0.00 0.00 175.30 176.95 1nfd s THR 56 N -1.08 -0.33 -0.39 4.11 2.01 -1.26 -3.12 115.64 115.58 1nfd s THR 56 Ca 0.12 0.32 -0.06 0.00 0.31 0.00 0.00 61.69 62.38 1nfd s THR 56 Cb -0.10 -0.37 0.08 0.00 0.01 0.00 0.00 72.50 72.12 1nfd s THR 56 CO 0.06 0.13 0.19 -1.61 -0.69 0.00 0.00 174.62 172.70 1nfd s GLU 57 N 2.34 2.44 0.00 4.92 0.41 -1.19 -4.93 118.70 122.68 1nfd s GLU 57 Ca 0.02 -1.49 0.00 0.00 -0.41 0.00 0.00 54.97 53.09 1nfd s GLU 57 Cb -0.12 -3.61 0.00 0.00 -1.78 0.00 0.00 34.13 28.62 1nfd s GLU 57 CO -0.07 -0.90 0.08 1.58 -0.49 0.00 0.00 175.26 175.46 1nfd n HIS 58 N 4.79 0.00 0.00 1.61 -0.00 -1.26 -1.49 115.22 118.86 1nfd n HIS 58 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 1nfd n HIS 58 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 1nfd n HIS 58 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1nfd n GLN 59 N -0.53 0.00 -0.48 1.57 6.02 -1.26 -4.48 117.38 118.22 1nfd n GLN 59 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1nfd n GLN 59 Cb 0.08 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1nfd n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nfd n GLY 61 N -0.52 0.86 3.91 1.08 0.00 -0.56 -4.96 105.19 105.01 1nfd n GLY 61 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1nfd n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nfd s PHE 62 N -3.02 3.48 -0.10 1.61 0.08 -1.13 -4.54 117.98 114.36 1nfd s PHE 62 Ca 0.00 0.56 -0.16 0.00 0.12 0.00 0.00 56.93 57.46 1nfd s PHE 62 Cb 0.00 -2.04 0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1nfd s PHE 62 CO 0.00 0.24 0.39 -3.38 -0.10 0.00 0.00 175.22 172.38 1nfd s HIS 63 N -2.00 -0.37 -0.27 0.36 -3.43 -0.59 -3.20 115.29 105.79 1nfd s HIS 63 Ca 0.42 0.80 -0.13 0.00 -0.80 0.00 0.00 55.06 55.36 1nfd s HIS 63 Cb -0.11 0.15 0.10 0.00 -1.43 0.00 0.00 32.58 31.29 1nfd s HIS 63 CO 0.29 -0.31 0.63 0.00 -2.00 0.00 0.00 174.74 173.35 1nfd s ALA 64 N -0.45 -1.81 -0.09 -1.38 0.00 -1.18 -1.25 121.76 115.60 1nfd s ALA 64 Ca -0.06 2.25 0.00 0.00 0.00 0.00 0.00 51.96 54.16 1nfd s ALA 64 Cb -0.03 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 1nfd s ALA 64 CO 0.03 -0.58 -0.09 0.99 0.00 0.00 0.00 175.76 176.11 1nfd s THR 65 N 2.10 3.49 0.54 0.00 2.01 -1.25 -3.12 115.64 119.40 1nfd s THR 65 Ca -0.08 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 1nfd s THR 65 Cb -0.08 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 1nfd s THR 65 CO -0.18 0.57 0.93 -0.22 -0.69 0.00 0.00 174.62 175.02 1nfd s LEU 66 N -0.40 3.49 -0.45 4.42 2.96 -1.18 -4.15 118.68 123.38 1nfd s LEU 66 Ca 0.05 1.31 0.05 0.00 -0.22 0.00 0.00 54.13 55.33 1nfd s LEU 66 Cb -0.12 -4.29 0.18 0.00 0.50 0.00 0.00 46.19 42.45 1nfd s LEU 66 CO 0.02 -0.68 0.52 -1.00 -1.32 0.00 0.00 176.35 173.89 1nfd s HIS 67 N -2.84 -0.44 0.11 5.38 3.76 0.16 -4.56 115.29 116.86 1nfd s HIS 67 Ca 0.54 -1.17 -0.22 0.00 -0.15 0.00 0.00 55.06 54.06 1nfd s HIS 67 Cb -0.10 -0.25 -0.05 0.00 1.11 0.00 0.00 32.58 33.29 1nfd s HIS 67 CO 0.44 -1.06 1.37 1.63 -0.85 0.00 0.00 174.74 176.27 1nfd n LYS 68 N 3.26 -0.31 -0.05 1.40 4.76 -1.26 -0.21 118.16 125.76 1nfd n LYS 68 Ca 0.20 1.35 -0.01 0.00 -2.87 0.00 0.00 58.31 56.98 1nfd n LYS 68 Cb 0.51 -1.99 -0.01 0.00 -1.84 0.00 0.00 35.03 31.70 1nfd n LYS 68 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1nfd n SER 69 N -4.61 -0.12 -1.09 4.39 3.41 -1.26 0.42 113.62 114.77 1nfd n SER 69 Ca 0.01 0.40 0.05 0.00 -0.26 0.00 0.00 58.87 59.08 1nfd n SER 69 Cb 0.19 -0.13 0.22 0.00 -0.26 0.00 0.00 64.21 64.22 1nfd n SER 69 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nfd n SER 70 N -3.06 3.12 -3.58 4.04 3.41 -0.72 -4.97 113.62 111.86 1nfd n SER 70 Ca 0.00 -2.30 -0.31 0.00 -0.26 0.00 0.00 58.87 56.00 1nfd n SER 70 Cb 0.03 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 63.53 1nfd n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nfd n SER 71 N 0.54 -5.42 -3.70 4.04 7.64 1.44 -4.96 113.62 113.20 1nfd n SER 71 Ca 0.15 -0.45 -0.14 0.00 1.01 0.00 0.00 58.87 59.44 1nfd n SER 71 Cb 0.61 -1.95 -0.09 0.00 -1.01 0.00 0.00 64.21 61.78 1nfd n SER 71 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1nfd s SER 72 N -2.18 -0.40 -0.40 6.43 1.04 -1.03 -3.77 113.70 113.38 1nfd s SER 72 Ca 0.21 0.55 0.08 0.00 0.48 0.00 0.00 55.95 57.28 1nfd s SER 72 Cb -0.02 0.62 0.26 0.00 0.10 0.00 0.00 66.02 66.97 1nfd s SER 72 CO 0.88 -0.36 0.55 0.33 0.98 0.00 0.00 173.24 175.62 1nfd n PHE 73 N 1.85 -0.09 -3.01 5.02 -0.00 -0.74 0.37 117.46 120.86 1nfd n PHE 73 Ca -0.18 -3.61 -0.40 0.00 -0.00 0.00 0.00 57.45 53.26 1nfd n PHE 73 Cb 0.56 -0.37 -0.05 0.00 -0.00 0.00 0.00 39.48 39.63 1nfd n PHE 73 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1nfd s HIS 74 N -1.35 3.64 0.03 -5.13 3.76 -1.26 -4.15 115.29 110.84 1nfd s HIS 74 Ca 0.36 1.36 -0.12 0.00 -0.15 0.00 0.00 55.06 56.50 1nfd s HIS 74 Cb 0.18 -2.82 -0.06 0.00 1.11 0.00 0.00 32.58 30.99 1nfd s HIS 74 CO -0.10 0.16 0.39 -1.17 -0.85 0.00 0.00 174.74 173.17 1nfd s LEU 75 N 0.47 4.41 0.12 0.89 2.96 -0.90 -3.91 118.68 122.73 1nfd s LEU 75 Ca 0.39 0.86 -0.19 0.00 -0.22 0.00 0.00 54.13 54.96 1nfd s LEU 75 Cb -0.19 -2.75 0.05 0.00 0.50 0.00 0.00 46.19 43.80 1nfd s LEU 75 CO 0.20 0.26 0.48 0.00 -1.32 0.00 0.00 176.35 175.97 1nfd s GLN 76 N -1.47 1.12 -0.18 1.98 -2.07 -0.38 0.19 119.66 118.85 1nfd s GLN 76 Ca 0.28 -0.55 -0.07 0.00 -1.82 0.00 0.00 55.36 53.20 1nfd s GLN 76 Cb -0.15 0.51 0.08 0.00 -1.09 0.00 0.00 33.01 32.36 1nfd s GLN 76 CO 0.15 -0.45 0.40 0.21 -1.32 0.00 0.00 175.29 174.28 1nfd s LYS 77 N -3.52 0.31 0.04 9.60 2.20 0.62 -1.55 119.74 127.45 1nfd s LYS 77 Ca 0.01 0.96 -0.25 0.00 -0.36 0.00 0.00 55.97 56.33 1nfd s LYS 77 Cb 0.00 0.24 -0.13 0.00 -1.51 0.00 0.00 37.83 36.43 1nfd s LYS 77 CO -0.10 -0.24 1.37 0.66 -0.36 0.00 0.00 175.35 176.68 1nfd h SER 78 N 8.05 -0.80 -3.00 1.43 4.64 -1.83 1.16 113.55 123.21 1nfd h SER 78 Ca -0.18 0.04 -0.62 0.00 -0.47 0.00 0.00 61.79 60.55 1nfd h SER 78 Cb 1.12 0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 63.35 1nfd h SER 78 CO 0.14 -0.53 -0.33 -0.44 -0.87 0.00 0.00 176.83 174.81 1nfd s SER 79 N -3.38 6.55 -0.16 4.97 0.01 -1.24 -0.13 113.70 120.34 1nfd s SER 79 Ca -0.13 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1nfd s SER 79 Cb 0.02 -2.17 -0.00 0.00 0.21 0.00 0.00 66.02 64.07 1nfd s SER 79 CO 0.40 0.27 -0.15 0.00 0.41 0.00 0.00 173.24 174.16 1nfd s ALA 80 N -0.52 2.48 0.40 1.44 0.00 -1.06 -4.86 121.76 119.64 1nfd s ALA 80 Ca 0.19 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1nfd s ALA 80 Cb -0.14 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1nfd s ALA 80 CO 0.07 -0.05 0.64 -0.65 0.00 0.00 0.00 175.76 175.77 1nfd s GLN 81 N 0.84 3.49 0.38 0.00 -0.21 -1.26 -1.79 119.66 121.11 1nfd s GLN 81 Ca -0.05 -0.15 0.11 0.00 0.02 0.00 0.00 55.36 55.30 1nfd s GLN 81 Cb -0.15 -2.56 0.74 0.00 1.00 0.00 0.00 33.01 32.04 1nfd s GLN 81 CO -0.01 0.01 1.85 -0.07 -2.12 0.00 0.00 175.29 174.96 1nfd h LEU 82 N 0.55 0.09 -2.27 2.90 3.38 -1.95 -2.39 115.31 115.61 1nfd h LEU 82 Ca -0.49 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.50 1nfd h LEU 82 Cb 1.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1nfd h LEU 82 CO 0.61 0.38 0.22 0.77 0.09 0.00 0.00 178.44 180.52 1nfd h SER 83 N 0.08 0.00 0.84 -0.43 4.64 -1.94 -1.89 113.55 114.85 1nfd h SER 83 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1nfd h SER 83 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1nfd h SER 83 CO 0.04 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.44 1nfd h ASP 84 N 0.00 0.00 -1.57 4.97 3.32 -1.80 -3.43 116.42 117.90 1nfd h ASP 84 Ca 0.07 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.46 1nfd h ASP 84 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1nfd h ASP 84 CO -0.00 0.00 1.26 -1.20 -1.72 0.00 0.00 179.24 177.58 1nfd n SER 85 N -2.95 2.75 -1.92 6.45 7.64 -0.71 -4.80 113.62 120.07 1nfd n SER 85 Ca 0.00 0.66 0.01 0.00 1.01 0.00 0.00 58.87 60.55 1nfd n SER 85 Cb 0.26 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1nfd n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nfd n ALA 86 N 8.46 -1.17 -3.02 -0.43 0.00 -0.23 -4.72 120.51 119.41 1nfd n ALA 86 Ca 0.32 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1nfd n ALA 86 Cb 0.27 0.06 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 1nfd n ALA 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1nfd s LEU 87 N 0.00 3.39 -0.05 0.00 0.20 -0.71 -0.47 118.68 121.04 1nfd s LEU 87 Ca 0.10 -0.14 0.03 0.00 0.69 0.00 0.00 54.13 54.80 1nfd s LEU 87 Cb -0.00 -1.86 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1nfd s LEU 87 CO -0.00 0.08 -0.11 -0.31 -0.29 0.00 0.00 176.35 175.72 1nfd s TYR 88 N 0.91 2.79 -0.03 5.38 1.51 -0.19 0.66 117.35 128.38 1nfd s TYR 88 Ca 0.02 -0.09 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 1nfd s TYR 88 Cb -0.14 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1nfd s TYR 88 CO 0.02 0.25 -0.24 0.71 -1.11 0.00 0.00 175.55 175.17 1nfd s TYR 89 N -0.77 2.24 -0.15 2.71 2.02 0.24 -1.57 117.35 122.06 1nfd s TYR 89 Ca 0.12 -0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 56.29 1nfd s TYR 89 Cb -0.11 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1nfd s TYR 89 CO 0.01 -0.08 0.01 0.00 -1.57 0.00 0.00 175.55 173.93 1nfd n ALA 91 N 3.21 0.05 0.00 0.00 0.00 -0.65 0.12 120.51 123.24 1nfd n ALA 91 Ca -0.17 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1nfd n ALA 91 Cb 0.53 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1nfd n ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1nfd n LEU 92 N 0.00 0.00 -3.85 0.00 -0.00 -0.85 -2.25 117.00 110.06 1nfd n LEU 92 Ca 0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.81 1nfd n LEU 92 Cb 0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.36 1nfd n LEU 92 CO 0.05 0.00 -0.40 -0.94 -0.00 0.00 0.00 177.39 176.11 1nfd s SER 93 N 0.00 1.16 0.05 1.45 1.04 -0.51 -1.70 113.70 115.19 1nfd s SER 93 Ca 0.00 -0.11 0.06 0.00 0.48 0.00 0.00 55.95 56.38 1nfd s SER 93 Cb 0.00 -0.44 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 1nfd s SER 93 CO 0.00 -0.11 -0.15 -1.83 0.98 0.00 0.00 173.24 172.14 1nfd s GLU 94 N 1.30 2.15 0.00 4.02 -1.05 -0.14 0.14 118.70 125.12 1nfd s GLU 94 Ca -0.05 -0.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 1nfd s GLU 94 Cb -0.13 -2.26 0.00 0.00 -0.44 0.00 0.00 34.13 31.30 1nfd s GLU 94 CO -0.02 0.54 0.00 0.41 0.95 0.00 0.00 175.26 177.14 1nfd n GLY 99 N 1.37 -3.47 5.05 -3.83 0.00 -0.76 -1.84 105.19 101.71 1nfd n GLY 99 Ca -0.16 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1nfd n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfd n GLY 100 N 0.31 0.25 0.00 -0.02 0.00 -1.26 -1.74 105.19 102.73 1nfd n GLY 100 Ca 0.00 0.73 0.11 0.00 0.00 0.00 0.00 46.02 46.86 1nfd n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nfd n ASN 101 N 1.85 0.00 -0.79 1.61 5.03 -1.26 -4.79 115.26 116.91 1nfd n ASN 101 Ca 0.00 -0.09 -0.07 0.00 0.87 0.00 0.00 54.58 55.29 1nfd n ASN 101 Cb 0.00 -0.25 -0.03 0.00 -1.02 0.00 0.00 39.78 38.48 1nfd n ASN 101 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1nfd n TYR 102 N -1.25 -0.28 -1.69 3.10 4.01 -0.71 -4.81 117.16 115.53 1nfd n TYR 102 Ca 0.11 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.42 1nfd n TYR 102 Cb 0.16 -1.90 -0.01 0.00 -0.31 0.00 0.00 39.34 37.28 1nfd n TYR 102 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1nfd n LYS 103 N -0.82 2.07 -3.76 -0.72 3.00 -1.00 -4.65 118.16 112.28 1nfd n LYS 103 Ca -0.07 0.73 -0.33 0.00 -0.00 0.00 0.00 58.31 58.64 1nfd n LYS 103 Cb 0.32 -2.30 -0.09 0.00 0.00 0.00 0.00 35.03 32.96 1nfd n LYS 103 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1nfd s TYR 104 N -1.00 3.65 0.39 5.64 6.14 -1.26 -0.97 117.35 129.94 1nfd s TYR 104 Ca 0.57 -3.09 -0.26 0.00 0.64 0.00 0.00 57.07 54.92 1nfd s TYR 104 Cb -0.58 -3.03 -0.09 0.00 0.42 0.00 0.00 41.96 38.68 1nfd s TYR 104 CO 0.61 -0.69 1.24 0.08 0.64 0.00 0.00 175.55 177.43 1nfd s VAL 105 N -1.08 2.88 0.20 3.14 1.01 -0.69 -4.84 120.40 121.02 1nfd s VAL 105 Ca 0.24 0.78 0.11 0.00 0.00 0.00 0.00 61.98 63.11 1nfd s VAL 105 Cb -0.10 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1nfd s VAL 105 CO -0.11 0.11 -0.19 -0.36 0.00 0.00 0.00 175.10 174.54 1nfd s PHE 106 N -1.31 2.40 0.24 5.22 0.08 -1.26 -2.01 117.98 121.34 1nfd s PHE 106 Ca 0.56 -0.32 -0.05 0.00 0.12 0.00 0.00 56.93 57.24 1nfd s PHE 106 Cb -0.35 -1.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.89 1nfd s PHE 106 CO 0.45 0.53 0.49 0.20 -0.10 0.00 0.00 175.22 176.79 1nfd s GLY 107 N -2.84 1.98 0.20 4.36 0.00 0.33 -4.29 107.32 107.06 1nfd s GLY 107 Ca 0.23 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.26 1nfd s GLY 107 CO 0.12 -0.47 1.66 0.00 0.00 0.00 0.00 173.10 174.42 1nfd h ALA 108 N 2.09 0.48 0.00 3.20 0.00 -1.87 -3.42 119.26 119.73 1nfd h ALA 108 Ca -0.47 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nfd h ALA 108 Cb 1.18 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1nfd h ALA 108 CO 0.68 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1nfd n GLY 109 N -1.35 3.63 2.96 0.00 0.00 -1.26 -5.03 105.19 104.13 1nfd n GLY 109 Ca 0.07 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 1nfd n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nfd s THR 110 N -2.50 -0.26 0.43 2.61 2.01 -0.61 -4.67 115.64 112.66 1nfd s THR 110 Ca 0.00 0.27 -0.16 0.00 0.31 0.00 0.00 61.69 62.10 1nfd s THR 110 Cb 0.00 -0.36 -0.09 0.00 0.01 0.00 0.00 72.50 72.06 1nfd s THR 110 CO 0.00 0.11 0.88 -0.60 -0.69 0.00 0.00 174.62 174.32 1nfd s ARG 111 N 2.02 4.01 -0.12 4.92 6.06 -1.26 -1.02 118.95 133.56 1nfd s ARG 111 Ca -0.01 0.85 -0.03 0.00 -2.50 0.00 0.00 55.73 54.04 1nfd s ARG 111 Cb -0.12 -2.26 0.05 0.00 0.06 0.00 0.00 34.95 32.68 1nfd s ARG 111 CO -0.07 -0.06 0.06 -1.17 -2.50 0.00 0.00 175.30 171.55 1nfd s LEU 112 N -3.53 0.48 -0.32 -0.88 2.96 0.38 -3.45 118.68 114.32 1nfd s LEU 112 Ca 0.57 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1nfd s LEU 112 Cb -0.10 -0.31 0.09 0.00 0.50 0.00 0.00 46.19 46.37 1nfd s LEU 112 CO 0.23 -0.29 0.01 -0.75 -1.32 0.00 0.00 176.35 174.23 1nfd s LYS 113 N 2.07 1.74 -0.27 1.98 2.20 -1.26 -1.07 119.74 125.13 1nfd s LYS 113 Ca 0.03 -1.71 -0.21 0.00 -0.36 0.00 0.00 55.97 53.72 1nfd s LYS 113 Cb -0.14 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1nfd s LYS 113 CO -0.06 -0.83 0.67 0.54 -0.36 0.00 0.00 175.35 175.31 1nfd s VAL 114 N 0.97 4.93 0.19 4.02 0.11 -1.26 -2.17 120.40 127.21 1nfd s VAL 114 Ca 0.05 1.11 -0.14 0.00 -2.93 0.00 0.00 61.98 60.07 1nfd s VAL 114 Cb -0.19 -4.00 -0.07 0.00 -1.53 0.00 0.00 36.38 30.59 1nfd s VAL 114 CO -0.07 -0.06 0.59 0.27 -3.33 0.00 0.00 175.10 172.50 1nfd s ILE 115 N 2.62 4.82 0.48 7.04 -4.36 0.86 -4.81 121.20 127.86 1nfd s ILE 115 Ca 0.28 0.81 -0.21 0.00 -0.26 0.00 0.00 60.65 61.27 1nfd s ILE 115 Cb -0.15 -3.71 -0.08 0.00 1.25 0.00 0.00 42.46 39.77 1nfd s ILE 115 CO 0.10 0.12 1.05 0.00 0.24 0.00 0.00 174.94 176.45 1nfd s ALA 116 N -1.61 2.87 -0.36 2.27 0.00 -1.26 -0.98 121.76 122.69 1nfd s ALA 116 Ca 0.42 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 52.87 1nfd s ALA 116 Cb -0.14 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1nfd s ALA 116 CO 0.20 -0.37 0.47 -1.58 0.00 0.00 0.00 175.76 174.47 1nfd s HIS 117 N -1.91 3.18 -0.31 0.00 2.46 -1.26 -4.69 115.29 112.76 1nfd s HIS 117 Ca 0.67 0.02 -0.12 0.00 0.47 0.00 0.00 55.06 56.10 1nfd s HIS 117 Cb -0.18 -2.87 -0.04 0.00 -0.13 0.00 0.00 32.58 29.36 1nfd s HIS 117 CO 0.22 -0.55 0.21 0.42 -2.47 0.00 0.00 174.74 172.57 1nfd s ILE 118 N 2.27 5.30 0.00 0.89 -1.09 -1.26 -4.98 121.20 122.33 1nfd s ILE 118 Ca 0.16 0.01 -0.23 0.00 -2.23 0.00 0.00 60.65 58.36 1nfd s ILE 118 Cb -0.16 -3.61 -0.12 0.00 -1.58 0.00 0.00 42.46 36.99 1nfd s ILE 118 CO 0.13 0.14 0.97 -0.61 -1.23 0.00 0.00 174.94 174.35 1nfd h GLN 119 N 8.42 -0.78 -3.48 2.79 5.75 -1.96 -3.41 115.11 122.45 1nfd h GLN 119 Ca -0.33 0.05 -0.64 0.00 -0.15 0.00 0.00 58.65 57.58 1nfd h GLN 119 Cb 1.18 0.18 -0.41 0.00 1.07 0.00 0.00 27.48 29.50 1nfd h GLN 119 CO 0.59 -0.52 -0.66 -0.80 -2.65 0.00 0.00 178.83 174.79 1nfd s ASN 120 N -4.41 4.27 0.11 -0.69 -0.87 -1.26 -5.09 114.94 107.00 1nfd s ASN 120 Ca -0.12 -2.84 -0.32 0.00 -1.57 0.00 0.00 52.86 48.01 1nfd s ASN 120 Cb 0.01 -1.54 -0.12 0.00 -0.02 0.00 0.00 41.25 39.58 1nfd s ASN 120 CO 0.36 -0.26 1.79 -0.81 -2.57 0.00 0.00 177.10 175.61 1nfd n PRO 121 N 3.32 2.60 -3.11 -0.60 -0.04 -1.26 -4.93 135.00 130.97 1nfd n PRO 121 Ca 0.05 0.95 -0.26 0.00 -0.04 0.00 0.00 63.50 64.19 1nfd n PRO 121 Cb 0.34 -2.81 -0.05 0.00 -0.04 0.00 0.00 33.50 30.93 1nfd n PRO 121 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nfd n GLU 122 N 5.26 2.84 -1.57 0.54 1.02 0.12 -4.92 120.64 123.92 1nfd n GLU 122 Ca 0.18 -4.69 -0.51 0.00 -0.02 0.00 0.00 57.16 52.13 1nfd n GLU 122 Cb 0.35 -2.19 -0.05 0.00 -0.02 0.00 0.00 31.44 29.52 1nfd n GLU 122 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1nfd n PRO 123 N 0.17 1.05 -3.63 3.49 -0.04 -1.03 -4.52 135.00 130.50 1nfd n PRO 123 Ca 0.30 0.38 -0.12 0.00 -0.04 0.00 0.00 63.50 64.01 1nfd n PRO 123 Cb 0.41 -1.91 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1nfd n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nfd s ALA 124 N 0.04 -1.83 -0.24 0.55 0.00 -1.13 -4.68 121.76 114.48 1nfd s ALA 124 Ca 0.78 2.05 0.01 0.00 0.00 0.00 0.00 51.96 54.79 1nfd s ALA 124 Cb -0.92 -1.25 0.06 0.00 0.00 0.00 0.00 23.12 21.01 1nfd s ALA 124 CO 0.51 -0.33 -0.04 0.14 0.00 0.00 0.00 175.76 176.04 1nfd s VAL 125 N 0.49 1.48 -0.04 0.00 -7.23 -1.23 -1.67 120.40 112.21 1nfd s VAL 125 Ca -0.01 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1nfd s VAL 125 Cb -0.05 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 1nfd s VAL 125 CO -0.02 -0.13 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.29 1nfd s TYR 126 N 1.41 3.01 -0.29 2.82 2.02 0.34 -3.93 117.35 122.73 1nfd s TYR 126 Ca -0.05 0.06 -0.15 0.00 -0.37 0.00 0.00 57.07 56.56 1nfd s TYR 126 Cb -0.19 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 1nfd s TYR 126 CO -0.07 0.41 0.38 1.14 -1.57 0.00 0.00 175.55 175.84 1nfd s GLN 127 N -1.18 3.88 0.41 -0.62 -2.07 -1.26 0.80 119.66 119.63 1nfd s GLN 127 Ca 0.16 -0.08 0.04 0.00 -1.82 0.00 0.00 55.36 53.66 1nfd s GLN 127 Cb -0.11 -3.70 0.00 0.00 -1.09 0.00 0.00 33.01 28.11 1nfd s GLN 127 CO 0.06 -0.36 0.59 -0.51 -1.32 0.00 0.00 175.29 173.75 1nfd s LEU 128 N 2.08 3.73 0.26 2.60 1.43 -1.07 -5.00 118.68 122.71 1nfd s LEU 128 Ca 0.14 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1nfd s LEU 128 Cb -0.16 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 1nfd s LEU 128 CO 0.11 -0.67 -0.10 -0.54 0.23 0.00 0.00 176.35 175.38 1nfd s LYS 129 N -4.40 1.51 -0.26 1.70 1.02 -1.26 -4.28 119.74 113.77 1nfd s LYS 129 Ca 0.49 -1.73 0.03 0.00 0.02 0.00 0.00 55.97 54.78 1nfd s LYS 129 Cb -0.10 -1.23 0.06 0.00 -0.52 0.00 0.00 37.83 36.04 1nfd s LYS 129 CO 0.34 0.12 -0.10 0.34 -0.92 0.00 0.00 175.35 175.13 1nfd s ASP 132 N -3.42 4.40 0.58 2.83 2.15 -1.26 -5.00 116.67 116.96 1nfd s ASP 132 Ca 0.27 -1.39 0.28 0.00 0.43 0.00 0.00 52.55 52.15 1nfd s ASP 132 Cb 0.01 -1.52 1.59 0.00 -0.30 0.00 0.00 42.92 42.71 1nfd s ASP 132 CO 0.11 -0.19 2.05 1.55 -0.17 0.00 0.00 175.17 178.51 1nfd h PRO 133 N 7.78 0.00 0.00 4.34 0.13 -1.99 -3.36 132.00 138.91 1nfd h PRO 133 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1nfd h PRO 133 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1nfd h PRO 133 CO 0.46 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.77 1nfd n ARG 134 N -3.83 0.00 -2.44 0.86 5.12 -1.26 -4.82 116.66 110.29 1nfd n ARG 134 Ca 0.03 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.55 1nfd n ARG 134 Cb 0.41 -0.03 -0.04 0.00 -1.16 0.00 0.00 32.46 31.64 1nfd n ARG 134 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1nfd s SER 135 N -1.77 7.20 0.45 0.55 0.01 -1.26 -4.93 113.70 113.96 1nfd s SER 135 Ca 0.00 2.24 0.17 0.00 1.31 0.00 0.00 55.95 59.67 1nfd s SER 135 Cb 0.00 -2.62 1.11 0.00 0.21 0.00 0.00 66.02 64.72 1nfd s SER 135 CO 0.00 -0.23 1.95 -0.61 0.41 0.00 0.00 173.24 174.76 1nfd h GLN 136 N 4.41 0.32 -6.53 12.44 -0.00 -1.87 -3.41 115.11 120.46 1nfd h GLN 136 Ca -0.46 -0.02 -0.52 0.00 -0.00 0.00 0.00 58.65 57.65 1nfd h GLN 136 Cb 1.21 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 28.59 1nfd h GLN 136 CO 0.70 0.21 0.27 0.34 0.00 0.00 0.00 178.83 180.36 1nfd s ASP 137 N -6.08 7.44 -0.32 -0.69 2.15 -1.26 -4.98 116.67 112.93 1nfd s ASP 137 Ca -0.07 1.71 -0.07 0.00 0.43 0.00 0.00 52.55 54.56 1nfd s ASP 137 Cb 0.20 -2.55 0.24 0.00 -0.30 0.00 0.00 42.92 40.51 1nfd s ASP 137 CO 0.75 0.06 1.18 -1.54 -0.17 0.00 0.00 175.17 175.45 1nfd n SER 138 N 2.27 -1.24 -4.46 -0.34 3.41 -1.26 -4.88 113.62 107.11 1nfd n SER 138 Ca -0.01 -1.05 -0.44 0.00 -0.26 0.00 0.00 58.87 57.11 1nfd n SER 138 Cb 0.49 0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1nfd n SER 138 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1nfd s THR 139 N 0.69 4.99 -0.06 6.66 2.01 -1.26 -4.79 115.64 123.88 1nfd s THR 139 Ca 0.24 -2.52 0.02 0.00 0.31 0.00 0.00 61.69 59.73 1nfd s THR 139 Cb 0.16 -4.90 -0.03 0.00 0.01 0.00 0.00 72.50 67.74 1nfd s THR 139 CO -0.10 -1.61 -0.09 -0.22 -0.69 0.00 0.00 174.62 171.91 1nfd s LEU 140 N 1.72 3.03 0.00 4.42 1.98 -1.26 -2.00 118.68 126.58 1nfd s LEU 140 Ca 0.42 -0.08 0.01 0.00 -2.89 0.00 0.00 54.13 51.59 1nfd s LEU 140 Cb -0.03 -1.65 -0.01 0.00 0.66 0.00 0.00 46.19 45.16 1nfd s LEU 140 CO -0.01 0.35 -0.05 0.00 -1.89 0.00 0.00 176.35 174.75 1nfd s LEU 142 N -0.34 2.03 -0.38 0.00 2.96 0.24 -1.48 118.68 121.71 1nfd s LEU 142 Ca -0.00 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 1nfd s LEU 142 Cb -0.03 -1.39 0.07 0.00 0.50 0.00 0.00 46.19 45.34 1nfd s LEU 142 CO -0.00 0.04 0.18 0.12 -1.32 0.00 0.00 176.35 175.36 1nfd s PHE 143 N 1.04 3.36 0.39 5.38 5.36 0.19 -0.50 117.98 133.19 1nfd s PHE 143 Ca -0.02 -1.72 0.04 0.00 -0.96 0.00 0.00 56.93 54.27 1nfd s PHE 143 Cb -0.14 -2.74 -0.04 0.00 -0.34 0.00 0.00 43.02 39.75 1nfd s PHE 143 CO -0.06 -0.84 0.07 0.99 -1.46 0.00 0.00 175.22 173.92 1nfd s THR 144 N 1.34 1.08 -1.02 0.12 2.01 -0.67 -1.29 115.64 117.22 1nfd s THR 144 Ca 0.02 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.02 1nfd s THR 144 Cb -0.22 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1nfd s THR 144 CO 0.01 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.41 1nfd n ASP 145 N -1.00 -3.28 -4.81 3.53 9.92 -0.66 -2.83 116.55 117.43 1nfd n ASP 145 Ca -0.06 0.25 -0.37 0.00 -0.53 0.00 0.00 54.79 54.07 1nfd n ASP 145 Cb 0.66 -2.93 -0.06 0.00 -0.64 0.00 0.00 41.12 38.15 1nfd n ASP 145 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1nfd s PHE 146 N -2.29 3.63 0.37 1.24 -0.12 -1.26 0.16 117.98 119.71 1nfd s PHE 146 Ca 0.00 0.82 -0.14 0.00 -0.05 0.00 0.00 56.93 57.56 1nfd s PHE 146 Cb 0.00 -2.26 -0.12 0.00 -0.63 0.00 0.00 43.02 40.01 1nfd s PHE 146 CO 0.00 0.53 -0.06 -3.47 -0.05 0.00 0.00 175.22 172.17 1nfd n ASP 147 N 2.39 -2.68 0.00 1.98 2.03 -1.26 -4.56 116.55 114.45 1nfd n ASP 147 Ca -0.14 0.52 0.06 0.00 0.52 0.00 0.00 54.79 55.75 1nfd n ASP 147 Cb 0.53 -0.65 0.34 0.00 -0.72 0.00 0.00 41.12 40.62 1nfd n ASP 147 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1nfd n SER 148 N 1.88 0.00 -0.07 1.67 2.88 -1.26 -3.37 113.62 115.35 1nfd n SER 148 Ca 0.07 -1.37 0.04 0.00 -1.33 0.00 0.00 58.87 56.27 1nfd n SER 148 Cb 0.35 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 1nfd n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nfd n GLN 149 N -0.71 3.40 -2.59 -1.46 1.13 -1.26 -4.97 117.38 110.93 1nfd n GLN 149 Ca 0.09 -0.20 -0.40 0.00 -1.94 0.00 0.00 57.00 54.54 1nfd n GLN 149 Cb 0.04 -0.97 -0.05 0.00 0.11 0.00 0.00 30.24 29.37 1nfd n GLN 149 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1nfd s ILE 150 N -1.65 3.83 -0.65 5.09 -4.36 -1.22 -4.99 121.20 117.26 1nfd s ILE 150 Ca 0.05 1.75 -0.24 0.00 -0.26 0.00 0.00 60.65 61.94 1nfd s ILE 150 Cb 0.07 -4.12 0.05 0.00 1.25 0.00 0.00 42.46 39.72 1nfd s ILE 150 CO 0.32 0.38 1.05 0.20 0.24 0.00 0.00 174.94 177.13 1nfd s ASN 151 N -0.72 6.23 0.38 4.36 0.01 -1.26 -5.01 114.94 118.93 1nfd s ASN 151 Ca 0.45 -0.62 -0.27 0.00 -0.71 0.00 0.00 52.86 51.70 1nfd s ASN 151 Cb -0.29 -2.47 -0.10 0.00 0.41 0.00 0.00 41.25 38.80 1nfd s ASN 151 CO 0.36 -1.50 1.40 -0.69 -1.51 0.00 0.00 177.10 175.16 1nfd s VAL 152 N 4.53 2.32 0.62 1.60 1.01 -1.26 -4.98 120.40 124.23 1nfd s VAL 152 Ca 0.29 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 1nfd s VAL 152 Cb -0.13 -3.20 0.16 0.00 0.00 0.00 0.00 36.38 33.21 1nfd s VAL 152 CO 0.15 0.07 0.35 -0.81 0.00 0.00 0.00 175.10 174.85 1nfd n PRO 153 N 0.40 -2.81 -3.94 2.72 -0.04 -1.26 -5.04 135.00 125.04 1nfd n PRO 153 Ca 0.02 -0.59 -0.10 0.00 -0.04 0.00 0.00 63.50 62.79 1nfd n PRO 153 Cb 0.41 -0.81 -0.10 0.00 -0.04 0.00 0.00 33.50 32.96 1nfd n PRO 153 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1nfd s LYS 154 N -3.64 0.42 0.47 0.54 1.02 -1.26 -4.90 119.74 112.40 1nfd s LYS 154 Ca 0.27 -0.59 -0.22 0.00 0.02 0.00 0.00 55.97 55.45 1nfd s LYS 154 Cb -0.05 0.16 -0.10 0.00 -0.52 0.00 0.00 37.83 37.33 1nfd s LYS 154 CO 0.23 -0.09 0.88 2.41 -0.92 0.00 0.00 175.35 177.85 1nfd n THR 155 N 1.36 2.56 0.02 2.17 -1.04 -1.26 -4.92 114.28 113.17 1nfd n THR 155 Ca -0.22 -0.50 0.01 0.00 -2.04 0.00 0.00 64.05 61.29 1nfd n THR 155 Cb 0.56 -1.01 -0.01 0.00 -1.82 0.00 0.00 70.33 68.05 1nfd n THR 155 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1nfd n MET 156 N -0.03 2.48 -4.15 -2.82 0.00 -1.26 -5.04 117.12 106.30 1nfd n MET 156 Ca 0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 57.70 57.70 1nfd n MET 156 Cb 0.42 -0.85 -0.10 0.00 0.00 0.00 0.00 33.22 32.68 1nfd n MET 156 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1nfd s GLU 157 N -1.73 0.93 1.12 0.03 -1.05 -1.26 -5.15 118.70 111.59 1nfd s GLU 157 Ca -0.00 -1.44 -0.16 0.00 -0.15 0.00 0.00 54.97 53.22 1nfd s GLU 157 Cb 0.01 0.24 0.25 0.00 -0.44 0.00 0.00 34.13 34.19 1nfd s GLU 157 CO 0.05 -0.26 1.09 -1.54 0.95 0.00 0.00 175.26 175.55 1nfd s SER 158 N -3.05 1.60 0.00 0.83 1.04 -1.26 -3.37 113.70 109.49 1nfd s SER 158 Ca 0.24 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.59 1nfd s SER 158 Cb 0.07 -1.39 0.00 0.00 0.10 0.00 0.00 66.02 64.80 1nfd s SER 158 CO 0.02 -3.74 0.00 0.61 0.98 0.00 0.00 173.24 171.11 1nfd n GLY 159 N -0.86 0.39 3.44 7.32 0.00 -1.26 -4.83 105.19 109.39 1nfd n GLY 159 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1nfd n GLY 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nfd s THR 160 N -1.30 2.65 -0.20 2.61 2.01 -1.22 -1.73 115.64 118.47 1nfd s THR 160 Ca 0.00 -1.37 -0.15 0.00 0.31 0.00 0.00 61.69 60.49 1nfd s THR 160 Cb 0.00 -2.14 0.06 0.00 0.01 0.00 0.00 72.50 70.43 1nfd s THR 160 CO 0.00 0.25 0.52 0.12 -0.69 0.00 0.00 174.62 174.82 1nfd s PHE 161 N -0.98 -0.68 -0.24 4.92 5.36 0.34 -4.82 117.98 121.88 1nfd s PHE 161 Ca 0.15 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 1nfd s PHE 161 Cb -0.10 0.30 0.04 0.00 -0.34 0.00 0.00 43.02 42.91 1nfd s PHE 161 CO 0.06 -0.35 -0.10 0.42 -1.46 0.00 0.00 175.22 173.80 1nfd s ILE 162 N 0.90 2.55 0.16 3.12 1.09 -1.26 -1.83 121.20 125.92 1nfd s ILE 162 Ca -0.05 -1.19 -0.03 0.00 -1.10 0.00 0.00 60.65 58.28 1nfd s ILE 162 Cb -0.05 -2.32 0.04 0.00 -1.06 0.00 0.00 42.46 39.07 1nfd s ILE 162 CO -0.08 0.18 0.15 0.35 -0.10 0.00 0.00 174.94 175.45 1nfd n THR 163 N 4.59 0.00 -3.81 2.92 -2.24 -0.92 -4.65 114.28 110.17 1nfd n THR 163 Ca -0.16 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.20 1nfd n THR 163 Cb 0.46 -1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 67.47 1nfd n THR 163 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nfd s ASP 164 N -1.86 6.45 0.51 3.42 1.01 -1.26 -4.84 116.67 120.09 1nfd s ASP 164 Ca 0.10 0.48 -0.23 0.00 0.71 0.00 0.00 52.55 53.61 1nfd s ASP 164 Cb -0.01 -2.06 -0.07 0.00 1.01 0.00 0.00 42.92 41.80 1nfd s ASP 164 CO 0.07 0.26 1.28 2.29 0.21 0.00 0.00 175.17 179.28 1nfd n LYS 165 N 1.07 1.69 -4.25 8.23 2.85 -1.26 -4.72 118.16 121.77 1nfd n LYS 165 Ca -0.11 0.61 -0.14 0.00 -1.05 0.00 0.00 58.31 57.62 1nfd n LYS 165 Cb 0.53 -2.46 -0.10 0.00 -0.65 0.00 0.00 35.03 32.35 1nfd n LYS 165 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1nfd s THR 166 N -1.28 0.63 0.19 0.58 -4.23 -0.52 -4.92 115.64 106.09 1nfd s THR 166 Ca 0.68 -1.98 0.10 0.00 -1.18 0.00 0.00 61.69 59.30 1nfd s THR 166 Cb -0.45 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1nfd s THR 166 CO 0.52 -0.38 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.41 1nfd s VAL 167 N -3.70 2.99 -0.23 2.29 1.01 -1.26 0.12 120.40 121.62 1nfd s VAL 167 Ca 0.27 -1.77 -0.10 0.00 0.00 0.00 0.00 61.98 60.37 1nfd s VAL 167 Cb 0.06 -2.48 0.09 0.00 0.00 0.00 0.00 36.38 34.05 1nfd s VAL 167 CO 0.06 -0.13 0.52 -1.48 0.00 0.00 0.00 175.10 174.07 1nfd s LEU 168 N -2.84 -0.64 -0.13 3.92 0.05 -0.97 -4.94 118.68 113.14 1nfd s LEU 168 Ca 0.24 1.20 0.03 0.00 0.05 0.00 0.00 54.13 55.65 1nfd s LEU 168 Cb -0.08 1.78 0.01 0.00 -2.05 0.00 0.00 46.19 45.84 1nfd s LEU 168 CO 0.14 -0.22 -0.23 -0.62 -0.55 0.00 0.00 176.35 174.87 1nfd s ASP 169 N 2.05 3.11 0.44 1.48 2.15 -1.26 -0.43 116.67 124.21 1nfd s ASP 169 Ca -0.07 -0.59 -0.19 0.00 0.43 0.00 0.00 52.55 52.13 1nfd s ASP 169 Cb -0.09 -1.43 -0.10 0.00 -0.30 0.00 0.00 42.92 40.99 1nfd s ASP 169 CO -0.16 0.11 0.94 -0.04 -0.17 0.00 0.00 175.17 175.85 1nfd s MET 170 N 0.64 4.14 -1.12 4.34 -1.94 -1.22 -4.91 119.30 119.23 1nfd s MET 170 Ca -0.11 1.03 -0.23 0.00 -1.71 0.00 0.00 55.69 54.66 1nfd s MET 170 Cb -0.16 -2.20 -0.10 0.00 2.01 0.00 0.00 34.83 34.38 1nfd s MET 170 CO 0.02 -0.07 1.97 0.21 -0.01 0.00 0.00 175.02 177.14 1nfd s LYS 171 N -3.37 2.34 0.00 2.03 2.20 -1.26 -4.53 119.74 117.16 1nfd s LYS 171 Ca 0.60 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 1nfd s LYS 171 Cb -0.09 -5.18 0.00 0.00 -1.51 0.00 0.00 37.83 31.05 1nfd s LYS 171 CO 0.18 -4.07 0.00 0.00 -0.36 0.00 0.00 175.35 171.10 1nfd n ALA 172 N 14.98 0.00 -3.11 3.13 0.00 -1.26 -5.09 120.51 129.16 1nfd n ALA 172 Ca 0.44 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.43 1nfd n ALA 172 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 1nfd n ALA 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1nfd s MET 173 N -1.06 3.82 -0.27 0.00 1.75 -1.26 -4.68 119.30 117.59 1nfd s MET 173 Ca 0.00 -2.38 -0.01 0.00 -1.25 0.00 0.00 55.69 52.05 1nfd s MET 173 Cb 0.00 -4.76 -0.01 0.00 2.84 0.00 0.00 34.83 32.90 1nfd s MET 173 CO 0.00 -1.56 0.25 -3.47 -0.65 0.00 0.00 175.02 169.59 1nfd n ASP 174 N 5.02 -3.62 -2.49 1.11 -0.08 -1.26 -5.00 116.55 110.22 1nfd n ASP 174 Ca 0.24 -0.11 -0.28 0.00 -1.51 0.00 0.00 54.79 53.13 1nfd n ASP 174 Cb 0.45 -2.15 0.00 0.00 2.34 0.00 0.00 41.12 41.77 1nfd n ASP 174 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1nfd n SER 175 N -1.60 4.95 -4.70 1.67 2.88 -1.26 -5.04 113.62 110.52 1nfd n SER 175 Ca -0.01 -3.73 -0.42 0.00 -1.33 0.00 0.00 58.87 53.38 1nfd n SER 175 Cb 0.52 -0.50 -0.03 0.00 -0.75 0.00 0.00 64.21 63.44 1nfd n SER 175 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1nfd s LYS 176 N -3.59 4.48 -0.04 -1.46 1.02 -1.26 -3.39 119.74 115.51 1nfd s LYS 176 Ca 0.49 1.53 0.01 0.00 0.02 0.00 0.00 55.97 58.01 1nfd s LYS 176 Cb 0.40 -3.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.28 1nfd s LYS 176 CO -0.20 -0.19 -0.02 -1.54 -0.92 0.00 0.00 175.35 172.48 1nfd s SER 177 N 1.09 0.72 0.29 2.83 1.04 0.43 -4.94 113.70 115.17 1nfd s SER 177 Ca 0.53 -0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.60 1nfd s SER 177 Cb -0.23 -0.35 -0.09 0.00 0.10 0.00 0.00 66.02 65.45 1nfd s SER 177 CO 0.26 -0.08 0.99 0.20 0.98 0.00 0.00 173.24 175.59 1nfd s ASN 178 N 0.97 7.37 0.42 7.02 0.02 -1.26 -2.29 114.94 127.20 1nfd s ASN 178 Ca -0.10 1.99 0.04 0.00 -1.02 0.00 0.00 52.86 53.76 1nfd s ASN 178 Cb -0.14 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.49 1nfd s ASN 178 CO -0.01 -0.05 0.05 -0.83 0.02 0.00 0.00 177.10 176.29 1nfd s GLY 179 N -1.30 2.61 0.00 0.66 0.00 0.32 -1.64 107.32 107.97 1nfd s GLY 179 Ca 0.46 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1nfd s GLY 179 CO 0.31 -1.99 0.00 0.00 0.00 0.00 0.00 173.10 171.42 1nfd n ALA 180 N -0.99 0.00 -2.53 3.20 0.00 -0.41 -1.44 120.51 118.35 1nfd n ALA 180 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.09 1nfd n ALA 180 Cb 0.66 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.02 1nfd n ALA 180 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1nfd s ILE 181 N 0.00 2.35 -0.13 0.00 -4.36 -1.26 0.53 121.20 118.32 1nfd s ILE 181 Ca 0.00 -1.91 -0.26 0.00 -0.26 0.00 0.00 60.65 58.21 1nfd s ILE 181 Cb 0.00 -2.90 0.06 0.00 1.25 0.00 0.00 42.46 40.88 1nfd s ILE 181 CO 0.00 -0.09 0.65 0.00 0.24 0.00 0.00 174.94 175.74 1nfd s ALA 182 N -2.60 -1.65 0.04 2.27 0.00 -0.55 -2.17 121.76 117.11 1nfd s ALA 182 Ca 0.37 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1nfd s ALA 182 Cb 0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1nfd s ALA 182 CO 0.20 -0.34 -0.04 1.67 0.00 0.00 0.00 175.76 177.25 1nfd s TRP 183 N -0.54 0.48 0.21 0.00 -2.14 -0.76 -0.36 118.94 115.82 1nfd s TRP 183 Ca -0.07 -0.70 -0.13 0.00 2.66 0.00 0.00 56.10 57.86 1nfd s TRP 183 Cb -0.02 -0.32 0.00 0.00 -3.10 0.00 0.00 33.47 30.03 1nfd s TRP 183 CO 0.06 -0.21 0.44 -1.54 -2.66 0.00 0.00 176.95 173.03 1nfd s SER 184 N -2.02 -0.10 -0.02 -2.66 1.04 -0.85 -0.51 113.70 108.58 1nfd s SER 184 Ca -0.06 -0.79 0.18 0.00 0.48 0.00 0.00 55.95 55.76 1nfd s SER 184 Cb -0.04 0.54 -0.26 0.00 0.10 0.00 0.00 66.02 66.37 1nfd s SER 184 CO -0.03 -1.05 0.46 -0.46 0.98 0.00 0.00 173.24 173.14 1nfd n ASN 185 N -0.33 0.90 -3.71 7.02 6.94 -0.70 -4.03 115.26 121.35 1nfd n ASN 185 Ca -0.05 -0.18 -0.42 0.00 -0.02 0.00 0.00 54.58 53.90 1nfd n ASN 185 Cb 0.62 1.66 -0.04 0.00 -2.36 0.00 0.00 39.78 39.66 1nfd n ASN 185 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nfd n GLN 186 N -1.98 1.91 -2.07 -3.83 3.00 -1.26 -4.88 117.38 108.27 1nfd n GLN 186 Ca -0.02 -2.10 -0.42 0.00 -0.01 0.00 0.00 57.00 54.45 1nfd n GLN 186 Cb 0.43 -3.06 -0.03 0.00 0.00 0.00 0.00 30.24 27.58 1nfd n GLN 186 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1nfd s THR 187 N 4.72 3.52 0.00 5.09 2.01 -1.26 -2.97 115.64 126.75 1nfd s THR 187 Ca 0.55 0.50 0.00 0.00 0.31 0.00 0.00 61.69 63.05 1nfd s THR 187 Cb 0.14 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1nfd s THR 187 CO 0.06 -0.57 0.00 -0.24 -0.69 0.00 0.00 174.62 173.18 1nfd n SER 188 N 10.54 0.00 -4.63 3.53 2.88 -1.26 -5.12 113.62 119.56 1nfd n SER 188 Ca 0.21 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 57.29 1nfd n SER 188 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 1nfd n SER 188 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1nfd n PHE 189 N 0.00 1.70 -3.40 0.66 3.01 -1.16 -4.98 117.46 113.30 1nfd n PHE 189 Ca 0.00 0.58 -0.23 0.00 1.01 0.00 0.00 57.45 58.81 1nfd n PHE 189 Cb 0.00 -2.35 -0.01 0.00 -0.01 0.00 0.00 39.48 37.11 1nfd n PHE 189 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1nfd s THR 190 N -0.38 4.76 0.48 4.37 2.01 -1.26 -4.88 115.64 120.74 1nfd s THR 190 Ca 0.67 -0.62 0.24 0.00 0.31 0.00 0.00 61.69 62.29 1nfd s THR 190 Cb -0.72 -3.72 0.42 0.00 0.01 0.00 0.00 72.50 68.49 1nfd s THR 190 CO 0.53 -0.43 1.88 0.00 -0.69 0.00 0.00 174.62 175.92 1nfd h GLN 192 N 0.21 0.40 0.52 0.00 -0.00 -1.92 0.53 115.11 114.84 1nfd h GLN 192 Ca 0.43 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 59.03 1nfd h GLN 192 Cb 1.36 -0.09 0.01 0.00 0.00 0.00 0.00 27.48 28.76 1nfd h GLN 192 CO -0.09 0.26 -0.25 -0.44 0.00 0.00 0.00 178.83 178.31 1nfd h ASP 193 N 0.41 -0.59 -0.80 -0.69 5.19 -1.03 -3.12 116.42 115.78 1nfd h ASP 193 Ca 0.11 -0.06 0.13 0.00 -0.62 0.00 0.00 57.03 56.59 1nfd h ASP 193 Cb -0.04 0.15 -0.14 0.00 0.18 0.00 0.00 39.33 39.48 1nfd h ASP 193 CO -0.03 -0.23 -0.35 0.40 -3.12 0.00 0.00 179.24 175.91 1nfd h ILE 194 N -1.00 0.09 -0.60 0.35 5.03 -0.92 -0.94 117.51 119.52 1nfd h ILE 194 Ca -0.07 0.00 -0.73 0.00 -0.12 0.00 0.00 64.86 63.94 1nfd h ILE 194 Cb 0.62 0.09 -0.08 0.00 -3.03 0.00 0.00 36.82 34.41 1nfd h ILE 194 CO 0.12 0.00 2.75 0.49 -0.68 0.00 0.00 178.15 180.82 1nfd n PHE 195 N -5.46 3.12 -1.39 1.37 3.01 0.18 -4.96 117.46 113.32 1nfd n PHE 195 Ca 0.08 -2.91 -0.37 0.00 1.01 0.00 0.00 57.45 55.26 1nfd n PHE 195 Cb 0.38 -2.27 0.06 0.00 -0.01 0.00 0.00 39.48 37.65 1nfd n PHE 195 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1nfd n LYS 196 N 4.65 0.48 -2.64 -1.08 4.81 -0.36 -3.80 118.16 120.22 1nfd n LYS 196 Ca 0.51 0.20 -0.26 0.00 -0.87 0.00 0.00 58.31 57.90 1nfd n LYS 196 Cb 0.35 -1.91 0.03 0.00 0.02 0.00 0.00 35.03 33.52 1nfd n LYS 196 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1nfd n GLU 197 N -0.76 -1.25 -3.66 1.64 1.02 -1.26 -4.62 120.64 111.75 1nfd n GLU 197 Ca 0.12 0.92 -0.06 0.00 -0.02 0.00 0.00 57.16 58.11 1nfd n GLU 197 Cb 0.49 -1.29 -0.07 0.00 -0.02 0.00 0.00 31.44 30.54 1nfd n GLU 197 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1nfd s THR 198 N -0.94 -0.33 -0.13 2.62 -4.23 -1.25 -4.69 115.64 106.69 1nfd s THR 198 Ca 0.25 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.51 1nfd s THR 198 Cb -0.03 -0.87 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 1nfd s THR 198 CO 0.57 0.02 1.36 0.20 -0.54 0.00 0.00 174.62 176.22 1nfd s ASN 203 N 2.02 6.88 0.00 3.99 -0.87 -1.26 -4.64 114.94 121.06 1nfd s ASN 203 Ca -0.08 1.84 0.00 0.00 -1.57 0.00 0.00 52.86 53.06 1nfd s ASN 203 Cb -0.08 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1nfd s ASN 203 CO -0.17 -0.79 0.00 0.00 -2.57 0.00 0.00 177.10 173.57 1nfd n ALA 204 N 6.61 -0.37 -2.81 0.60 0.00 -1.26 -4.57 120.51 118.69 1nfd n ALA 204 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.23 1nfd n ALA 204 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 1nfd n ALA 204 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nfd s THR 205 N -1.46 5.26 -0.33 0.00 2.01 -1.26 -3.03 115.64 116.83 1nfd s THR 205 Ca 0.00 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 1nfd s THR 205 Cb 0.00 -3.32 0.07 0.00 0.01 0.00 0.00 72.50 69.26 1nfd s THR 205 CO 0.00 0.56 0.06 -0.31 -0.69 0.00 0.00 174.62 174.24 1nfd s TYR 206 N -0.52 3.37 0.43 4.92 1.51 -1.25 -4.92 117.35 120.88 1nfd s TYR 206 Ca 0.12 -2.04 -0.21 0.00 -1.01 0.00 0.00 57.07 53.93 1nfd s TYR 206 Cb -0.12 -2.44 -0.14 0.00 -0.11 0.00 0.00 41.96 39.15 1nfd s TYR 206 CO 0.02 -0.85 0.29 -2.30 -1.11 0.00 0.00 175.55 171.60 1nfd n PRO 207 N 4.61 0.25 -3.33 -1.71 -0.02 -1.26 -4.69 135.00 128.86 1nfd n PRO 207 Ca -0.10 0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1nfd n PRO 207 Cb 0.43 -1.25 -0.09 0.00 -0.02 0.00 0.00 33.50 32.58 1nfd n PRO 207 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nfd s SER 208 N -0.99 6.21 -1.00 2.55 0.15 -1.26 -4.98 113.70 114.37 1nfd s SER 208 Ca 0.61 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.80 1nfd s SER 208 Cb -0.61 -2.22 0.32 0.00 -1.71 0.00 0.00 66.02 61.80 1nfd s SER 208 CO 0.60 -0.50 1.65 -1.20 1.20 0.00 0.00 173.24 175.00 1nfd n SER 209 N 5.58 6.84 -4.55 5.45 7.64 -1.26 -4.95 113.62 128.36 1nfd n SER 209 Ca -0.07 -3.61 -0.36 0.00 1.01 0.00 0.00 58.87 55.83 1nfd n SER 209 Cb 0.48 -1.14 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 1nfd n SER 209 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1nfd s ASP 210 N -1.64 5.59 -0.10 6.43 1.11 -1.26 -4.95 116.67 121.85 1nfd s ASP 210 Ca 0.38 -0.38 -0.30 0.00 0.18 0.00 0.00 52.55 52.43 1nfd s ASP 210 Cb 0.16 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.58 1nfd s ASP 210 CO -0.07 -2.25 1.06 -0.69 1.18 0.00 0.00 175.17 174.40 1nfd s VAL 211 N 8.13 4.63 -1.14 -1.27 1.01 -1.26 -4.94 120.40 125.56 1nfd s VAL 211 Ca 0.59 1.92 -0.16 0.00 0.00 0.00 0.00 61.98 64.32 1nfd s VAL 211 Cb -0.08 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 1nfd s VAL 211 CO 0.09 -0.01 2.15 -2.65 0.00 0.00 0.00 175.10 174.68 1nfd n PRO 212 N 5.12 2.29 0.00 2.72 -0.02 -1.26 -5.32 135.00 138.54 1nfd n PRO 212 Ca 0.10 -2.16 0.00 0.00 -2.02 0.00 0.00 63.50 59.41 1nfd n PRO 212 Cb 0.48 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 1nfd n PRO 212 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48