#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 -0.38 -0.47 -2.24 1.04 0.08 -4.98 113.70 106.75 1nfd s SER 2 Ca 0.00 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.22 1nfd s SER 2 Cb 0.00 0.56 0.16 0.00 0.10 0.00 0.00 66.02 66.84 1nfd s SER 2 CO 0.00 -0.98 0.34 0.54 0.98 0.00 0.00 173.24 174.12 1nfd s VAL 3 N -3.81 1.00 0.26 5.02 0.11 -1.26 0.20 120.40 121.92 1nfd s VAL 3 Ca 0.04 -2.84 -0.29 0.00 -2.93 0.00 0.00 61.98 55.95 1nfd s VAL 3 Cb -0.00 -1.69 -0.09 0.00 -1.53 0.00 0.00 36.38 33.07 1nfd s VAL 3 CO -0.09 -1.10 0.99 0.28 -3.33 0.00 0.00 175.10 171.84 1nfd s THR 4 N -0.07 3.91 0.01 5.04 -1.32 -0.07 -4.03 115.64 119.11 1nfd s THR 4 Ca 0.27 1.89 -0.09 0.00 -1.21 0.00 0.00 61.69 62.55 1nfd s THR 4 Cb -0.06 -4.19 0.00 0.00 -1.51 0.00 0.00 72.50 66.75 1nfd s THR 4 CO -0.13 0.43 0.17 0.00 -2.21 0.00 0.00 174.62 172.88 1nfd s GLN 5 N -1.34 0.57 0.05 7.08 -2.07 -1.26 -0.58 119.66 122.12 1nfd s GLN 5 Ca 0.43 -0.44 -0.07 0.00 -1.82 0.00 0.00 55.36 53.46 1nfd s GLN 5 Cb -0.27 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 31.84 1nfd s GLN 5 CO 0.34 -0.15 0.12 2.41 -1.32 0.00 0.00 175.29 176.69 1nfd n THR 6 N 1.20 0.46 0.52 3.63 -1.04 -0.48 -4.75 114.28 113.82 1nfd n THR 6 Ca -0.21 -0.12 0.07 0.00 -2.04 0.00 0.00 64.05 61.74 1nfd n THR 6 Cb 0.56 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.25 1.82 0.00 -2.82 1.02 -1.26 -4.47 120.64 115.18 1nfd n GLU 7 Ca 0.04 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1nfd n GLU 7 Cb 0.06 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 1.41 -2.53 0.02 0.62 0.00 -1.26 -4.90 105.19 98.55 1nfd n GLY 8 Ca 0.01 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.70 1nfd n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nfd n LEU 9 N 0.00 0.00 -3.50 0.99 7.99 -1.26 -4.12 117.00 117.10 1nfd n LEU 9 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 55.77 1nfd n LEU 9 Cb 0.00 0.07 0.04 0.00 -0.11 0.00 0.00 43.42 43.42 1nfd n LEU 9 CO 0.00 0.07 -0.00 0.52 -1.51 0.00 0.00 177.39 176.47 1nfd n VAL 10 N -2.06 -7.12 -2.35 4.08 0.31 -1.26 -3.74 118.33 106.19 1nfd n VAL 10 Ca -0.06 -0.89 -0.41 0.00 -0.01 0.00 0.00 64.34 62.97 1nfd n VAL 10 Cb 0.46 -5.15 -0.03 0.00 -0.91 0.00 0.00 33.84 28.20 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 -3.34 3.34 0.03 2.52 2.01 -1.26 -3.78 115.64 115.16 1nfd s THR 11 Ca 0.37 1.25 -0.01 0.00 0.31 0.00 0.00 61.69 63.62 1nfd s THR 11 Cb -0.11 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1nfd s THR 11 CO 0.82 0.26 -0.02 -0.69 -0.69 0.00 0.00 174.62 174.29 1nfd s VAL 12 N -0.71 0.15 -0.17 3.82 1.01 -0.23 -4.98 120.40 119.29 1nfd s VAL 12 Ca 0.49 -1.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 1nfd s VAL 12 Cb -0.34 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1nfd s VAL 12 CO 0.42 -0.70 0.13 -0.89 0.00 0.00 0.00 175.10 174.06 1nfd s THR 13 N -2.45 5.40 0.11 3.92 2.01 -1.26 0.36 115.64 123.73 1nfd s THR 13 Ca -0.07 0.18 -0.35 0.00 0.31 0.00 0.00 61.69 61.77 1nfd s THR 13 Cb -0.03 -3.42 -0.17 0.00 0.01 0.00 0.00 72.50 68.88 1nfd s THR 13 CO -0.05 0.51 1.04 -1.84 -0.69 0.00 0.00 174.62 173.59 1nfd n GLU 14 N 2.97 0.58 0.00 4.92 0.28 -0.01 -1.84 120.64 127.53 1nfd n GLU 14 Ca -0.17 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1nfd n GLU 14 Cb 0.53 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.76 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 1.90 2.85 3.82 -1.84 0.00 -0.81 -4.86 105.19 106.26 1nfd n GLY 15 Ca 0.18 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 1nfd n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nfd s LEU 16 N 0.00 2.88 0.77 0.99 1.43 -0.77 -4.19 118.68 119.80 1nfd s LEU 16 Ca 0.00 1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 1nfd s LEU 16 Cb 0.00 -4.19 0.06 0.00 0.03 0.00 0.00 46.19 42.08 1nfd s LEU 16 CO 0.00 -1.64 1.14 -2.16 0.23 0.00 0.00 176.35 173.93 1nfd s PRO 17 N -5.13 2.28 0.13 1.29 0.05 0.65 -2.64 135.00 131.64 1nfd s PRO 17 Ca 0.59 0.28 0.04 0.00 0.05 0.00 0.00 61.00 61.95 1nfd s PRO 17 Cb -0.14 -1.97 -0.04 0.00 0.05 0.00 0.00 34.50 32.40 1nfd s PRO 17 CO 0.54 -1.41 -0.09 0.08 0.05 0.00 0.00 177.00 176.18 1nfd s VAL 18 N -3.46 1.03 -0.30 -0.36 1.01 0.62 -4.94 120.40 114.00 1nfd s VAL 18 Ca 0.61 -2.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 1nfd s VAL 18 Cb -0.11 -1.79 0.19 0.00 0.00 0.00 0.00 36.38 34.67 1nfd s VAL 18 CO 0.50 -0.78 0.79 -0.75 0.00 0.00 0.00 175.10 174.87 1nfd s LYS 19 N -3.74 0.39 -0.24 2.72 2.20 -1.25 -1.75 119.74 118.08 1nfd s LYS 19 Ca 0.15 0.54 -0.12 0.00 -0.36 0.00 0.00 55.97 56.18 1nfd s LYS 19 Cb 0.03 0.28 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 1nfd s LYS 19 CO -0.01 -0.58 0.23 -0.51 -0.36 0.00 0.00 175.35 174.12 1nfd s LEU 20 N 2.89 4.10 -0.01 5.43 1.43 0.24 -4.94 118.68 127.83 1nfd s LEU 20 Ca 0.14 0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 53.15 1nfd s LEU 20 Cb -0.10 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1nfd s LEU 20 CO -0.21 -0.00 0.88 0.20 0.23 0.00 0.00 176.35 177.45 1nfd s ASN 21 N 1.22 7.25 -0.04 2.29 0.01 -1.26 -1.02 114.94 123.40 1nfd s ASN 21 Ca 0.10 1.51 -0.01 0.00 -0.71 0.00 0.00 52.86 53.75 1nfd s ASN 21 Cb -0.14 -2.52 0.03 0.00 0.41 0.00 0.00 41.25 39.03 1nfd s ASN 21 CO 0.07 -0.18 0.06 0.00 -1.51 0.00 0.00 177.10 175.53 1nfd s THR 23 N 1.62 1.39 0.45 0.00 -4.23 0.26 -1.55 115.64 113.58 1nfd s THR 23 Ca -0.02 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 59.07 1nfd s THR 23 Cb -0.12 -1.33 -0.05 0.00 1.34 0.00 0.00 72.50 72.34 1nfd s THR 23 CO -0.03 -0.18 0.01 -0.72 -0.54 0.00 0.00 174.62 173.16 1nfd s TYR 24 N -1.34 2.18 -0.26 3.99 -0.85 -1.25 -0.89 117.35 118.92 1nfd s TYR 24 Ca 0.03 -0.83 -0.01 0.00 -0.52 0.00 0.00 57.07 55.73 1nfd s TYR 24 Cb -0.09 -1.65 0.15 0.00 0.38 0.00 0.00 41.96 40.74 1nfd s TYR 24 CO 0.03 0.30 0.40 -1.14 -1.52 0.00 0.00 175.55 173.62 1nfd s GLN 25 N -3.79 0.38 0.11 -3.49 0.74 0.54 -4.91 119.66 109.24 1nfd s GLN 25 Ca 0.22 0.43 0.05 0.00 0.05 0.00 0.00 55.36 56.10 1nfd s GLN 25 Cb 0.06 -0.36 -0.04 0.00 1.10 0.00 0.00 33.01 33.77 1nfd s GLN 25 CO 0.11 -0.77 -0.12 0.95 -0.55 0.00 0.00 175.29 174.92 1nfd s THR 26 N 2.56 1.11 -0.58 -0.34 -4.23 -1.26 -0.74 115.64 112.16 1nfd s THR 26 Ca 0.12 -1.70 0.19 0.00 -1.18 0.00 0.00 61.69 59.12 1nfd s THR 26 Cb -0.14 -1.46 -0.24 0.00 1.34 0.00 0.00 72.50 71.99 1nfd s THR 26 CO -0.21 -0.52 0.67 0.35 -0.54 0.00 0.00 174.62 174.37 1nfd n THR 27 N 0.49 0.00 -4.45 3.99 -2.24 -1.26 -4.98 114.28 105.83 1nfd n THR 27 Ca -0.15 -0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 1nfd n THR 27 Cb 0.58 0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 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 -2.99 2.48 -0.26 4.78 2.02 -1.26 -5.07 117.35 117.05 1nfd s TYR 28 Ca 0.02 -0.48 -0.28 0.00 -0.37 0.00 0.00 57.07 55.95 1nfd s TYR 28 Cb 0.14 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1nfd s TYR 28 CO 0.79 0.52 1.96 -1.17 -1.57 0.00 0.00 175.55 176.08 1nfd s LEU 29 N -3.67 3.55 0.32 -1.29 0.20 -1.26 -4.51 118.68 112.02 1nfd s LEU 29 Ca 0.34 1.63 -0.29 0.00 0.69 0.00 0.00 54.13 56.50 1nfd s LEU 29 Cb 0.02 -3.52 -0.11 0.00 -0.43 0.00 0.00 46.19 42.15 1nfd s LEU 29 CO 0.18 -1.74 1.55 0.42 -0.29 0.00 0.00 176.35 176.47 1nfd s THR 30 N 7.19 2.11 -0.17 3.68 -4.23 -1.26 -0.80 115.64 122.17 1nfd s THR 30 Ca 0.88 0.10 0.06 0.00 -1.18 0.00 0.00 61.69 61.54 1nfd s THR 30 Cb -0.28 -3.06 -0.22 0.00 1.34 0.00 0.00 72.50 70.27 1nfd s THR 30 CO 0.34 0.02 0.17 -0.38 -0.54 0.00 0.00 174.62 174.23 1nfd n ILE 30 N 1.63 1.57 -3.61 2.99 5.41 0.34 -4.88 119.36 122.81 1nfd n ILE 30 Ca 0.06 -0.71 -0.08 0.00 1.00 0.00 0.00 62.75 63.02 1nfd n ILE 30 Cb 0.38 -1.19 -0.05 0.00 -0.71 0.00 0.00 39.64 38.07 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 -2.54 -1.99 0.13 -1.39 0.00 -1.20 -4.80 121.76 109.96 1nfd s ALA 31 Ca -0.20 1.70 0.08 0.00 0.00 0.00 0.00 51.96 53.55 1nfd s ALA 31 Cb 0.07 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1nfd s ALA 31 CO 0.74 -0.27 -0.13 -0.06 0.00 0.00 0.00 175.76 176.05 1nfd s PHE 32 N -0.75 2.64 0.06 0.00 0.40 -0.27 -1.70 117.98 118.36 1nfd s PHE 32 Ca 0.02 -0.21 -0.05 0.00 -0.60 0.00 0.00 56.93 56.08 1nfd s PHE 32 Cb -0.02 -1.36 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 1nfd s PHE 32 CO -0.03 0.44 0.09 -0.06 0.70 0.00 0.00 175.22 176.36 1nfd s PHE 33 N -1.32 0.28 -0.11 0.36 0.40 -0.01 -0.09 117.98 117.49 1nfd s PHE 33 Ca 0.21 -0.70 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 1nfd s PHE 33 Cb -0.10 -0.19 0.01 0.00 0.51 0.00 0.00 43.02 43.25 1nfd s PHE 33 CO 0.13 -0.43 -0.19 -1.58 0.70 0.00 0.00 175.22 173.84 1nfd s TRP 34 N -3.44 2.26 -0.04 0.36 0.52 0.18 -1.96 118.94 116.82 1nfd s TRP 34 Ca 0.02 -1.02 0.03 0.00 0.02 0.00 0.00 56.10 55.15 1nfd s TRP 34 Cb 0.04 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.76 1nfd s TRP 34 CO -0.08 -0.47 -0.11 0.71 0.02 0.00 0.00 176.95 177.01 1nfd s TYR 35 N 0.70 2.78 -0.17 -1.98 1.51 0.30 0.81 117.35 121.31 1nfd s TYR 35 Ca -0.12 -0.10 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1nfd s TYR 35 Cb -0.16 -1.64 0.02 0.00 -0.11 0.00 0.00 41.96 40.07 1nfd s TYR 35 CO 0.02 0.26 -0.20 0.54 -1.11 0.00 0.00 175.55 175.06 1nfd s VAL 36 N -0.81 2.01 -0.35 0.71 0.11 0.10 -0.50 120.40 121.68 1nfd s VAL 36 Ca 0.13 -0.92 -0.00 0.00 -2.93 0.00 0.00 61.98 58.25 1nfd s VAL 36 Cb -0.11 -1.81 0.09 0.00 -1.53 0.00 0.00 36.38 33.02 1nfd s VAL 36 CO 0.02 0.53 0.08 -1.58 -3.33 0.00 0.00 175.10 170.83 1nfd s GLN 37 N 1.17 2.03 0.41 1.54 0.74 0.72 -1.48 119.66 124.78 1nfd s GLN 37 Ca 0.02 -1.63 -0.23 0.00 0.05 0.00 0.00 55.36 53.57 1nfd s GLN 37 Cb -0.14 -3.32 -0.09 0.00 1.10 0.00 0.00 33.01 30.56 1nfd s GLN 37 CO -0.10 -0.86 1.02 0.71 -0.55 0.00 0.00 175.29 175.51 1nfd s TYR 38 N 1.11 3.26 -0.40 1.67 2.02 -1.26 -2.22 117.35 121.53 1nfd s TYR 38 Ca 0.03 1.64 -0.44 0.00 -0.37 0.00 0.00 57.07 57.93 1nfd s TYR 38 Cb -0.21 -3.05 -0.18 0.00 -0.40 0.00 0.00 41.96 38.12 1nfd s TYR 38 CO -0.04 -0.51 1.64 -0.11 -1.57 0.00 0.00 175.55 174.96 1nfd n LEU 39 N -0.27 1.64 -0.43 -1.29 -0.00 -1.26 0.39 117.00 115.78 1nfd n LEU 39 Ca 0.06 1.15 -0.06 0.00 -0.00 0.00 0.00 56.01 57.16 1nfd n LEU 39 Cb 0.51 -0.98 -0.02 0.00 -0.00 0.00 0.00 43.42 42.92 1nfd n LEU 39 CO 0.43 -0.71 -0.05 -3.20 -0.00 0.00 0.00 177.39 173.86 1nfd n ASN 40 N 4.47 -3.74 -4.21 1.96 5.15 -1.26 -5.02 115.26 112.60 1nfd n ASN 40 Ca 0.29 0.14 -0.15 0.00 -0.60 0.00 0.00 54.58 54.26 1nfd n ASN 40 Cb 0.02 -1.73 -0.11 0.00 -0.53 0.00 0.00 39.78 37.43 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 -2.35 0.94 0.72 1.20 0.41 0.16 -5.14 118.70 114.64 1nfd s GLU 41 Ca 0.00 -1.26 -0.12 0.00 -0.41 0.00 0.00 54.97 53.18 1nfd s GLU 41 Cb 0.00 -0.62 0.03 0.00 -1.78 0.00 0.00 34.13 31.76 1nfd s GLU 41 CO 0.00 0.09 1.08 0.00 -0.49 0.00 0.00 175.26 175.95 1nfd s ALA 42 N -2.66 2.44 -0.16 5.21 0.00 -1.26 -4.39 121.76 120.94 1nfd s ALA 42 Ca 0.09 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1nfd s ALA 42 Cb -0.02 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1nfd s ALA 42 CO 0.01 -1.48 1.26 -2.14 0.00 0.00 0.00 175.76 173.41 1nfd s PRO 43 N -4.78 4.24 0.15 0.00 0.02 -1.26 -4.43 135.00 128.94 1nfd s PRO 43 Ca 0.61 1.67 0.08 0.00 0.02 0.00 0.00 61.00 63.38 1nfd s PRO 43 Cb -0.17 -3.75 -0.04 0.00 0.02 0.00 0.00 34.50 30.56 1nfd s PRO 43 CO 0.52 -0.69 -0.10 -0.65 -0.33 0.00 0.00 177.00 175.75 1nfd s GLN 44 N 3.42 2.08 0.41 5.54 -0.21 -0.55 -4.92 119.66 125.44 1nfd s GLN 44 Ca 0.55 -1.16 -0.26 0.00 0.02 0.00 0.00 55.36 54.50 1nfd s GLN 44 Cb -0.22 -2.22 -0.09 0.00 1.00 0.00 0.00 33.01 31.47 1nfd s GLN 44 CO 0.15 0.47 1.43 0.08 -2.12 0.00 0.00 175.29 175.29 1nfd s VAL 45 N -1.48 2.16 -0.14 1.09 1.01 -1.26 0.03 120.40 121.81 1nfd s VAL 45 Ca 0.23 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.42 1nfd s VAL 45 Cb -0.10 -3.09 -0.13 0.00 0.00 0.00 0.00 36.38 33.06 1nfd s VAL 45 CO 0.14 0.03 -0.05 -0.11 0.00 0.00 0.00 175.10 175.12 1nfd n LEU 46 N 0.12 1.46 0.00 3.92 7.94 0.24 -4.70 117.00 125.98 1nfd n LEU 46 Ca 0.03 -0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1nfd n LEU 46 Cb 0.41 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1nfd n LEU 46 CO 0.60 0.53 0.00 0.00 -1.11 0.00 0.00 177.39 177.41 1nfd n LEU 47 N -2.70 0.00 -3.98 -1.96 -0.00 -1.07 -4.68 117.00 102.62 1nfd n LEU 47 Ca -0.24 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.68 1nfd n LEU 47 Cb 0.85 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 44.16 1nfd n LEU 47 CO 0.21 0.00 -0.33 -1.59 -0.00 0.00 0.00 177.39 175.68 1nfd s LYS 48 N -2.00 0.38 0.06 1.47 0.00 -1.26 0.48 119.74 118.88 1nfd s LYS 48 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 55.97 55.22 1nfd s LYS 48 Cb 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 37.83 37.97 1nfd s LYS 48 CO 0.00 -0.07 0.16 0.45 0.00 0.00 0.00 175.35 175.89 1nfd s SER 49 N -1.67 0.14 0.00 0.03 0.15 0.87 -4.97 113.70 108.25 1nfd s SER 49 Ca -0.12 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1nfd s SER 49 Cb -0.07 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1nfd s SER 49 CO -0.02 -0.64 0.00 -1.20 1.20 0.00 0.00 173.24 172.58 1nfd n SER 50 N 0.28 1.78 -4.92 5.45 7.64 -1.26 -1.12 113.62 121.48 1nfd n SER 50 Ca -0.17 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.45 1nfd n SER 50 Cb 0.61 0.32 0.02 0.00 -1.01 0.00 0.00 64.21 64.15 1nfd n SER 50 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1nfd s THR 51 N -0.84 4.09 -0.38 0.44 -4.23 -1.26 -4.95 115.64 108.51 1nfd s THR 51 Ca 0.00 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1nfd s THR 51 Cb 0.00 -3.59 0.40 0.00 1.34 0.00 0.00 72.50 70.65 1nfd s THR 51 CO 0.00 -0.58 1.82 -0.67 -0.54 0.00 0.00 174.62 174.64 1nfd n ASP 52 N -2.44 5.09 0.00 3.99 -0.08 -1.26 -4.62 116.55 117.23 1nfd n ASP 52 Ca 0.03 -3.24 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 1nfd n ASP 52 Cb 0.57 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 43.16 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 -0.45 0.00 -3.25 1.67 2.85 -1.26 -4.73 115.26 110.09 1nfd n ASN 53 Ca 0.43 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.85 1nfd n ASN 53 Cb 1.01 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.99 1nfd n ASN 53 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1nfd s LYS 54 N 0.00 0.46 0.00 1.20 2.20 -1.26 -5.02 119.74 117.32 1nfd s LYS 54 Ca 0.00 0.28 -0.07 0.00 -0.36 0.00 0.00 55.97 55.82 1nfd s LYS 54 Cb 0.00 -0.11 -0.09 0.00 -1.51 0.00 0.00 37.83 36.12 1nfd s LYS 54 CO 0.00 -1.03 0.90 -2.13 -0.36 0.00 0.00 175.35 172.72 1nfd n ARG 55 N 5.38 0.00 -1.35 4.03 0.63 -1.26 -4.62 116.66 119.46 1nfd n ARG 55 Ca 0.02 -0.47 -0.53 0.00 -0.92 0.00 0.00 57.85 55.95 1nfd n ARG 55 Cb 0.51 -1.83 -0.12 0.00 0.45 0.00 0.00 32.46 31.47 1nfd n ARG 55 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1nfd n THR 56 N 4.84 0.02 -4.45 5.15 -1.04 -1.25 -4.74 114.28 112.81 1nfd n THR 56 Ca 0.11 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.05 61.73 1nfd n THR 56 Cb 0.12 -0.72 -0.10 0.00 -1.82 0.00 0.00 70.33 67.80 1nfd n THR 56 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1nfd s GLU 57 N 6.94 2.59 0.17 -2.82 2.12 -1.26 -2.81 118.70 123.62 1nfd s GLU 57 Ca 1.22 -0.70 -0.21 0.00 0.36 0.00 0.00 54.97 55.65 1nfd s GLU 57 Cb -1.31 -2.53 0.05 0.00 0.26 0.00 0.00 34.13 30.61 1nfd s GLU 57 CO 0.58 0.61 0.56 -1.58 -0.54 0.00 0.00 175.26 174.89 1nfd s HIS 58 N -0.99 -0.39 0.00 5.30 2.46 -0.70 -5.03 115.29 115.93 1nfd s HIS 58 Ca 0.17 0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.82 1nfd s HIS 58 Cb -0.11 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.83 1nfd s HIS 58 CO 0.07 -0.87 0.00 0.94 -2.47 0.00 0.00 174.74 172.42 1nfd n GLN 59 N -0.35 0.00 0.00 2.88 -0.06 -1.26 -0.49 117.38 118.10 1nfd n GLN 59 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 1nfd n GLN 59 Cb 0.64 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.82 1nfd n GLN 59 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nfd n GLY 61 N 0.00 2.36 3.84 1.69 0.00 -1.26 -5.03 105.19 106.78 1nfd n GLY 61 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 3.33 -0.06 1.61 0.08 0.36 -4.79 117.98 118.50 1nfd s PHE 62 Ca 0.00 1.43 -0.06 0.00 0.12 0.00 0.00 56.93 58.42 1nfd s PHE 62 Cb 0.00 -2.84 0.02 0.00 -0.57 0.00 0.00 43.02 39.63 1nfd s PHE 62 CO 0.00 -0.76 0.17 -3.38 -0.10 0.00 0.00 175.22 171.15 1nfd s HIS 63 N -2.77 -0.19 -0.27 0.36 -3.43 -0.89 -1.73 115.29 106.37 1nfd s HIS 63 Ca 0.59 0.46 -0.05 0.00 -0.80 0.00 0.00 55.06 55.26 1nfd s HIS 63 Cb -0.12 0.06 0.14 0.00 -1.43 0.00 0.00 32.58 31.23 1nfd s HIS 63 CO 0.41 -0.09 0.55 0.00 -2.00 0.00 0.00 174.74 173.61 1nfd s ALA 64 N 0.11 -1.82 -0.17 -1.38 0.00 -1.13 -1.43 121.76 115.95 1nfd s ALA 64 Ca -0.00 1.81 -0.09 0.00 0.00 0.00 0.00 51.96 53.68 1nfd s ALA 64 Cb -0.01 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 1nfd s ALA 64 CO 0.00 -1.09 0.13 0.99 0.00 0.00 0.00 175.76 175.79 1nfd s THR 65 N 2.78 5.42 0.33 0.00 2.01 -1.25 -3.88 115.64 121.04 1nfd s THR 65 Ca 0.07 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.09 1nfd s THR 65 Cb -0.14 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 68.85 1nfd s THR 65 CO -0.18 0.51 0.77 -0.22 -0.69 0.00 0.00 174.62 174.80 1nfd s LEU 66 N -0.15 4.08 -0.33 4.42 0.20 -1.26 -4.29 118.68 121.34 1nfd s LEU 66 Ca 0.10 1.36 -0.00 0.00 0.69 0.00 0.00 54.13 56.29 1nfd s LEU 66 Cb -0.11 -4.09 0.13 0.00 -0.43 0.00 0.00 46.19 41.69 1nfd s LEU 66 CO 0.00 -0.20 0.25 -1.00 -0.29 0.00 0.00 176.35 175.11 1nfd s HIS 67 N -1.95 0.21 0.13 5.38 3.76 0.85 -4.01 115.29 119.66 1nfd s HIS 67 Ca 0.54 -1.05 -0.23 0.00 -0.15 0.00 0.00 55.06 54.16 1nfd s HIS 67 Cb -0.11 -0.72 -0.02 0.00 1.11 0.00 0.00 32.58 32.85 1nfd s HIS 67 CO 0.17 -0.88 1.65 0.87 -0.85 0.00 0.00 174.74 175.70 1nfd h LYS 68 N 7.51 -0.26 0.00 1.40 1.57 -1.89 0.36 116.57 125.25 1nfd h LYS 68 Ca -0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1nfd h LYS 68 Cb 1.01 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1nfd h LYS 68 CO 0.30 -0.18 0.00 -1.13 -0.57 0.00 0.00 179.45 177.87 1nfd n SER 69 N -5.34 0.00 -0.27 0.86 3.41 -1.26 0.19 113.62 111.21 1nfd n SER 69 Ca -0.03 0.47 0.02 0.00 -0.26 0.00 0.00 58.87 59.07 1nfd n SER 69 Cb 0.26 -0.19 0.05 0.00 -0.26 0.00 0.00 64.21 64.07 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 -2.02 0.73 -3.18 4.04 3.41 -1.15 -4.95 113.62 110.51 1nfd n SER 70 Ca 0.00 -2.02 -0.20 0.00 -0.26 0.00 0.00 58.87 56.39 1nfd n SER 70 Cb 0.00 -0.13 0.02 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.14 -6.68 -3.59 4.04 7.64 0.51 -4.95 113.62 110.45 1nfd n SER 71 Ca 0.04 0.31 -0.14 0.00 1.01 0.00 0.00 58.87 60.09 1nfd n SER 71 Cb 0.13 -3.18 -0.06 0.00 -1.01 0.00 0.00 64.21 60.09 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 -1.77 -0.62 -0.30 6.43 1.04 -0.80 -3.83 113.70 113.86 1nfd s SER 72 Ca 0.25 0.98 0.17 0.00 0.48 0.00 0.00 55.95 57.83 1nfd s SER 72 Cb -0.04 0.92 0.48 0.00 0.10 0.00 0.00 66.02 67.48 1nfd s SER 72 CO 0.71 -0.35 1.09 0.33 0.98 0.00 0.00 173.24 175.99 1nfd n PHE 73 N 1.79 1.73 -1.46 5.02 7.35 -0.59 -0.10 117.46 131.19 1nfd n PHE 73 Ca -0.15 -2.39 -0.40 0.00 -0.76 0.00 0.00 57.45 53.76 1nfd n PHE 73 Cb 0.56 -0.27 0.02 0.00 0.35 0.00 0.00 39.48 40.14 1nfd n PHE 73 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1nfd n HIS 74 N -0.49 -0.53 -5.28 -5.13 8.25 -1.25 -4.67 115.22 106.13 1nfd n HIS 74 Ca 0.18 0.53 -0.31 0.00 -0.26 0.00 0.00 57.72 57.85 1nfd n HIS 74 Cb 0.83 -1.98 -0.16 0.00 1.12 0.00 0.00 29.99 29.79 1nfd n HIS 74 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1nfd s LEU 75 N 1.27 2.08 0.04 2.41 2.96 -0.18 -3.85 118.68 123.41 1nfd s LEU 75 Ca 0.65 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.93 1nfd s LEU 75 Cb -0.53 -1.36 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1nfd s LEU 75 CO 0.57 0.29 0.35 0.00 -1.32 0.00 0.00 176.35 176.24 1nfd s GLN 76 N -0.45 0.84 -0.19 1.98 -2.07 -0.51 0.80 119.66 120.04 1nfd s GLN 76 Ca 0.05 -0.42 -0.04 0.00 -1.82 0.00 0.00 55.36 53.13 1nfd s GLN 76 Cb -0.11 0.37 0.10 0.00 -1.09 0.00 0.00 33.01 32.27 1nfd s GLN 76 CO 0.01 -0.27 0.30 0.21 -1.32 0.00 0.00 175.29 174.22 1nfd s LYS 77 N -2.40 0.24 0.02 9.60 2.20 -0.72 -2.09 119.74 126.59 1nfd s LYS 77 Ca -0.06 0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 56.04 1nfd s LYS 77 Cb -0.01 -0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 35.80 1nfd s LYS 77 CO -0.02 -0.50 1.10 0.66 -0.36 0.00 0.00 175.35 176.23 1nfd h SER 78 N 8.25 -0.31 -3.16 1.43 4.64 -1.87 0.18 113.55 122.71 1nfd h SER 78 Ca -0.17 0.04 -0.59 0.00 -0.47 0.00 0.00 61.79 60.60 1nfd h SER 78 Cb 1.14 0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 63.29 1nfd h SER 78 CO 0.22 -0.09 -0.17 -0.44 -0.87 0.00 0.00 176.83 175.48 1nfd s SER 79 N -2.96 6.79 -0.19 4.97 0.01 -1.26 -0.25 113.70 120.80 1nfd s SER 79 Ca -0.03 0.94 -0.01 0.00 1.31 0.00 0.00 55.95 58.16 1nfd s SER 79 Cb 0.01 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1nfd s SER 79 CO 0.11 0.21 -0.12 0.00 0.41 0.00 0.00 173.24 173.84 1nfd s ALA 80 N -0.47 2.57 0.32 1.44 0.00 -1.08 -4.85 121.76 119.68 1nfd s ALA 80 Ca 0.25 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 1nfd s ALA 80 Cb -0.16 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 1nfd s ALA 80 CO 0.13 -0.33 0.59 -0.65 0.00 0.00 0.00 175.76 175.50 1nfd s GLN 81 N 1.29 3.64 0.61 0.00 1.11 -1.26 -1.92 119.66 123.13 1nfd s GLN 81 Ca 0.04 0.05 0.36 0.00 0.01 0.00 0.00 55.36 55.82 1nfd s GLN 81 Cb -0.14 -2.60 2.03 0.00 -1.01 0.00 0.00 33.01 31.28 1nfd s GLN 81 CO -0.07 0.16 2.28 -0.07 0.01 0.00 0.00 175.29 177.60 1nfd h LEU 82 N 1.50 0.00 -1.65 2.90 3.38 -1.92 -1.26 115.31 118.26 1nfd h LEU 82 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1nfd h LEU 82 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1nfd h LEU 82 CO 0.65 0.01 -0.19 0.77 0.09 0.00 0.00 178.44 179.78 1nfd h SER 83 N 0.00 0.00 0.28 -0.43 4.64 -1.94 -2.54 113.55 113.56 1nfd h SER 83 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nfd h SER 83 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1nfd h SER 83 CO 0.00 0.19 0.00 0.47 -0.87 0.00 0.00 176.83 176.62 1nfd n ASP 84 N -3.76 0.14 -4.54 4.97 8.00 -0.48 -4.66 116.55 116.22 1nfd n ASP 84 Ca -0.02 0.55 -0.21 0.00 0.71 0.00 0.00 54.79 55.82 1nfd n ASP 84 Cb 0.30 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.72 1nfd n ASP 84 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nfd n SER 85 N -1.67 1.10 -2.03 -2.24 7.64 -0.96 -4.82 113.62 110.64 1nfd n SER 85 Ca 0.01 -1.00 -0.04 0.00 1.01 0.00 0.00 58.87 58.85 1nfd n SER 85 Cb 0.10 -1.36 0.01 0.00 -1.01 0.00 0.00 64.21 61.95 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 14.89 -1.08 -2.71 -0.43 0.00 -0.84 -4.60 120.51 125.73 1nfd n ALA 86 Ca 0.51 -0.64 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 1nfd n ALA 86 Cb 0.36 0.48 -0.06 0.00 0.00 0.00 0.00 19.45 20.22 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 4.37 -0.05 0.00 0.20 -0.94 -0.29 118.68 121.97 1nfd s LEU 87 Ca 0.09 0.63 0.06 0.00 0.69 0.00 0.00 54.13 55.61 1nfd s LEU 87 Cb -0.02 -2.32 -0.01 0.00 -0.43 0.00 0.00 46.19 43.40 1nfd s LEU 87 CO 0.05 0.29 -0.25 -0.31 -0.29 0.00 0.00 176.35 175.84 1nfd s TYR 88 N -0.58 2.42 -0.13 5.38 1.51 0.13 -0.20 117.35 125.88 1nfd s TYR 88 Ca 0.18 -0.66 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1nfd s TYR 88 Cb -0.14 -1.58 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1nfd s TYR 88 CO 0.07 -0.18 -0.23 0.71 -1.11 0.00 0.00 175.55 174.81 1nfd s TYR 89 N -0.26 2.63 -0.17 2.71 2.02 0.35 -1.38 117.35 123.25 1nfd s TYR 89 Ca -0.01 -1.24 -0.08 0.00 -0.37 0.00 0.00 57.07 55.37 1nfd s TYR 89 Cb -0.13 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1nfd s TYR 89 CO 0.03 -0.54 0.10 0.00 -1.57 0.00 0.00 175.55 173.56 1nfd s ALA 91 N 0.02 -0.25 0.32 0.00 0.00 -0.83 0.21 121.76 121.23 1nfd s ALA 91 Ca 0.08 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 1nfd s ALA 91 Cb -0.12 0.95 0.06 0.00 0.00 0.00 0.00 23.12 24.01 1nfd s ALA 91 CO 0.00 -0.90 0.85 -0.48 0.00 0.00 0.00 175.76 175.22 1nfd s LEU 92 N -3.08 -0.04 -0.05 0.00 0.05 -0.86 -0.83 118.68 113.87 1nfd s LEU 92 Ca 0.21 -0.93 0.01 0.00 0.05 0.00 0.00 54.13 53.47 1nfd s LEU 92 Cb -0.03 2.63 0.02 0.00 -2.05 0.00 0.00 46.19 46.77 1nfd s LEU 92 CO 0.12 -1.45 -0.05 -0.94 -0.55 0.00 0.00 176.35 173.48 1nfd s SER 93 N -3.12 1.04 0.22 1.48 1.04 -0.69 -1.81 113.70 111.86 1nfd s SER 93 Ca 0.16 -0.14 0.11 0.00 0.48 0.00 0.00 55.95 56.56 1nfd s SER 93 Cb -0.04 -0.48 -0.05 0.00 0.10 0.00 0.00 66.02 65.55 1nfd s SER 93 CO 0.09 -0.05 -0.22 -1.83 0.98 0.00 0.00 173.24 172.21 1nfd s GLU 94 N 0.93 1.60 0.39 4.02 -1.05 -0.74 0.12 118.70 123.97 1nfd s GLU 94 Ca -0.11 -1.57 -0.07 0.00 -0.15 0.00 0.00 54.97 53.07 1nfd s GLU 94 Cb -0.14 -1.85 0.10 0.00 -0.44 0.00 0.00 34.13 31.80 1nfd s GLU 94 CO 0.00 0.38 0.30 0.41 0.95 0.00 0.00 175.26 177.31 1nfd n GLY 99 N 0.02 -2.95 5.16 -3.83 0.00 0.02 -2.94 105.19 100.66 1nfd n GLY 99 Ca -0.10 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.35 0.56 0.29 -0.02 0.00 -1.26 -3.02 105.19 101.39 1nfd n GLY 100 Ca 0.04 0.64 0.17 0.00 0.00 0.00 0.00 46.02 46.87 1nfd n GLY 100 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1nfd h ASN 101 N 0.00 0.00 0.00 1.61 -0.26 -2.02 -3.45 115.58 111.47 1nfd h ASN 101 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1nfd h ASN 101 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1nfd h ASN 101 CO 0.00 0.05 0.00 -1.22 -1.06 0.00 0.00 177.43 175.20 1nfd n TYR 102 N -3.32 0.00 -1.57 1.19 4.01 -1.15 -4.94 117.16 111.37 1nfd n TYR 102 Ca -0.02 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.28 1nfd n TYR 102 Cb 0.20 -0.39 -0.01 0.00 -0.31 0.00 0.00 39.34 38.84 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 -2.00 1.23 -3.79 -0.72 3.00 -1.23 -4.68 118.16 109.97 1nfd n LYS 103 Ca 0.00 0.43 -0.28 0.00 -0.00 0.00 0.00 58.31 58.47 1nfd n LYS 103 Cb 0.01 -1.80 -0.11 0.00 0.00 0.00 0.00 35.03 33.13 1nfd n LYS 103 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1nfd n TYR 104 N 0.05 3.28 -1.75 5.64 4.19 -1.26 -1.79 117.16 125.51 1nfd n TYR 104 Ca 0.10 -4.27 -0.39 0.00 3.31 0.00 0.00 57.90 56.65 1nfd n TYR 104 Cb 0.33 -0.60 0.03 0.00 0.49 0.00 0.00 39.34 39.59 1nfd n TYR 104 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1nfd n VAL 105 N 1.73 3.42 -4.40 2.97 0.31 -0.75 -4.82 118.33 116.79 1nfd n VAL 105 Ca 0.22 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.81 1nfd n VAL 105 Cb 0.36 -1.74 -0.13 0.00 -0.91 0.00 0.00 33.84 31.42 1nfd n VAL 105 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1nfd s PHE 106 N -1.25 1.75 0.38 3.52 0.08 -1.26 -2.04 117.98 119.17 1nfd s PHE 106 Ca 0.67 -0.40 -0.16 0.00 0.12 0.00 0.00 56.93 57.17 1nfd s PHE 106 Cb -0.43 -0.99 -0.09 0.00 -0.57 0.00 0.00 43.02 40.94 1nfd s PHE 106 CO 0.53 0.16 0.82 0.20 -0.10 0.00 0.00 175.22 176.82 1nfd s GLY 107 N -1.64 2.24 0.20 4.36 0.00 0.56 -4.51 107.32 108.53 1nfd s GLY 107 Ca 0.06 0.09 -0.17 0.00 0.00 0.00 0.00 44.72 44.70 1nfd s GLY 107 CO 0.03 0.31 1.62 0.00 0.00 0.00 0.00 173.10 175.06 1nfd h ALA 108 N 1.84 0.22 0.00 3.20 0.00 -1.86 -3.42 119.26 119.24 1nfd h ALA 108 Ca -0.48 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1nfd h ALA 108 Cb 1.18 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1nfd h ALA 108 CO 0.64 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1nfd n GLY 109 N -1.43 3.52 2.98 0.00 0.00 -1.26 -5.03 105.19 103.97 1nfd n GLY 109 Ca 0.06 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.69 -0.32 0.40 2.61 2.01 -0.48 -4.69 115.64 112.48 1nfd s THR 110 Ca 0.00 0.28 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 1nfd s THR 110 Cb 0.00 -0.40 -0.11 0.00 0.01 0.00 0.00 72.50 72.01 1nfd s THR 110 CO 0.00 0.12 0.90 -0.60 -0.69 0.00 0.00 174.62 174.35 1nfd s ARG 111 N 2.20 4.19 -0.07 4.92 6.06 -1.26 -0.69 118.95 134.31 1nfd s ARG 111 Ca -0.00 1.03 0.00 0.00 -2.50 0.00 0.00 55.73 54.27 1nfd s ARG 111 Cb -0.12 -2.25 0.02 0.00 0.06 0.00 0.00 34.95 32.66 1nfd s ARG 111 CO -0.08 0.02 -0.06 -1.17 -2.50 0.00 0.00 175.30 171.51 1nfd s LEU 112 N -3.10 1.22 -0.30 -0.88 2.96 0.60 -4.20 118.68 114.98 1nfd s LEU 112 Ca 0.60 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.30 1nfd s LEU 112 Cb -0.10 -0.63 0.10 0.00 0.50 0.00 0.00 46.19 46.06 1nfd s LEU 112 CO 0.14 -0.08 0.09 -0.75 -1.32 0.00 0.00 176.35 174.43 1nfd s LYS 113 N 1.26 0.75 -0.14 1.98 2.20 -1.25 -1.99 119.74 122.55 1nfd s LYS 113 Ca -0.05 -1.06 -0.20 0.00 -0.36 0.00 0.00 55.97 54.29 1nfd s LYS 113 Cb -0.14 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.11 1nfd s LYS 113 CO -0.02 -0.96 0.58 0.54 -0.36 0.00 0.00 175.35 175.13 1nfd s VAL 114 N 1.60 5.10 0.37 4.02 0.11 -1.25 -1.07 120.40 129.27 1nfd s VAL 114 Ca 0.09 1.14 0.07 0.00 -2.93 0.00 0.00 61.98 60.35 1nfd s VAL 114 Cb -0.17 -3.91 -0.00 0.00 -1.53 0.00 0.00 36.38 30.76 1nfd s VAL 114 CO -0.24 0.23 0.51 0.27 -3.33 0.00 0.00 175.10 172.54 1nfd s ILE 115 N 1.16 3.69 0.69 7.04 -4.36 1.13 -4.81 121.20 125.73 1nfd s ILE 115 Ca 0.29 -0.99 -0.04 0.00 -0.26 0.00 0.00 60.65 59.65 1nfd s ILE 115 Cb -0.16 -3.26 0.07 0.00 1.25 0.00 0.00 42.46 40.36 1nfd s ILE 115 CO 0.12 -0.10 0.97 0.00 0.24 0.00 0.00 174.94 176.17 1nfd s ALA 116 N -2.24 3.37 -0.21 2.27 0.00 -1.26 -0.83 121.76 122.85 1nfd s ALA 116 Ca 0.49 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 1nfd s ALA 116 Cb -0.10 -2.39 0.06 0.00 0.00 0.00 0.00 23.12 20.69 1nfd s ALA 116 CO 0.32 -1.27 -0.02 -3.38 0.00 0.00 0.00 175.76 171.41 1nfd s HIS 117 N -3.15 1.78 -0.14 0.00 -0.00 -1.26 -4.68 115.29 107.84 1nfd s HIS 117 Ca 0.61 -1.33 -0.22 0.00 -0.00 0.00 0.00 55.06 54.12 1nfd s HIS 117 Cb -0.09 -1.33 -0.03 0.00 -0.00 0.00 0.00 32.58 31.13 1nfd s HIS 117 CO 0.44 -0.69 0.67 0.42 -0.00 0.00 0.00 174.74 175.57 1nfd s ILE 118 N 1.60 5.02 0.01 -5.38 1.01 -1.26 -4.87 121.20 117.33 1nfd s ILE 118 Ca -0.03 1.32 -0.23 0.00 0.00 0.00 0.00 60.65 61.71 1nfd s ILE 118 Cb -0.18 -3.99 -0.12 0.00 0.01 0.00 0.00 42.46 38.17 1nfd s ILE 118 CO -0.07 0.16 1.05 -0.61 0.00 0.00 0.00 174.94 175.48 1nfd h GLN 119 N 7.14 -0.78 -3.27 2.79 5.75 -2.00 -3.39 115.11 121.36 1nfd h GLN 119 Ca -0.35 0.05 -0.65 0.00 -0.15 0.00 0.00 58.65 57.55 1nfd h GLN 119 Cb 1.16 0.18 -0.40 0.00 1.07 0.00 0.00 27.48 29.49 1nfd h GLN 119 CO 0.78 -0.52 -0.50 -0.80 -2.65 0.00 0.00 178.83 175.13 1nfd s ASN 120 N -4.06 4.87 0.14 -0.69 -0.87 -1.26 -5.08 114.94 107.98 1nfd s ASN 120 Ca -0.12 -3.46 -0.34 0.00 -1.57 0.00 0.00 52.86 47.37 1nfd s ASN 120 Cb 0.01 -1.70 -0.14 0.00 -0.02 0.00 0.00 41.25 39.40 1nfd s ASN 120 CO 0.36 -0.18 1.55 -0.81 -2.57 0.00 0.00 177.10 175.45 1nfd n PRO 121 N 2.55 1.97 -2.89 -0.60 -0.04 -1.26 -4.94 135.00 129.80 1nfd n PRO 121 Ca 0.14 0.71 -0.23 0.00 -0.04 0.00 0.00 63.50 64.08 1nfd n PRO 121 Cb 0.35 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.32 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 3.38 2.56 -1.41 0.54 1.02 0.12 -4.95 120.64 121.90 1nfd n GLU 122 Ca 0.17 -4.31 -0.55 0.00 -0.02 0.00 0.00 57.16 52.45 1nfd n GLU 122 Cb 0.27 -2.03 -0.08 0.00 -0.02 0.00 0.00 31.44 29.59 1nfd n GLU 122 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1nfd n PRO 123 N -0.15 0.00 -3.63 3.49 -0.02 -1.14 -4.55 135.00 129.00 1nfd n PRO 123 Ca 0.29 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.67 1nfd n PRO 123 Cb 0.54 -1.40 -0.07 0.00 -0.02 0.00 0.00 33.50 32.56 1nfd n PRO 123 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nfd s ALA 124 N 0.15 -1.94 -0.19 3.55 0.00 -1.14 -3.67 121.76 118.51 1nfd s ALA 124 Ca 0.85 1.88 0.00 0.00 0.00 0.00 0.00 51.96 54.69 1nfd s ALA 124 Cb -1.19 -1.36 0.04 0.00 0.00 0.00 0.00 23.12 20.61 1nfd s ALA 124 CO 0.54 -0.25 -0.07 0.14 0.00 0.00 0.00 175.76 176.11 1nfd s VAL 125 N 0.17 1.38 0.26 0.00 -7.23 -0.99 -1.40 120.40 112.58 1nfd s VAL 125 Ca 0.02 -0.85 0.08 0.00 -1.81 0.00 0.00 61.98 59.42 1nfd s VAL 125 Cb -0.05 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1nfd s VAL 125 CO -0.05 0.13 0.14 -0.31 -0.31 0.00 0.00 175.10 174.70 1nfd s TYR 126 N 1.51 2.99 -0.30 2.82 1.51 -0.07 -4.14 117.35 121.68 1nfd s TYR 126 Ca -0.01 -0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1nfd s TYR 126 Cb -0.16 -1.34 0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1nfd s TYR 126 CO -0.08 0.55 0.03 1.14 -1.11 0.00 0.00 175.55 176.08 1nfd s GLN 127 N -3.79 2.71 0.30 -0.62 -2.07 -1.26 0.14 119.66 115.06 1nfd s GLN 127 Ca 0.32 -1.09 -0.01 0.00 -1.82 0.00 0.00 55.36 52.76 1nfd s GLN 127 Cb -0.07 -3.24 -0.04 0.00 -1.09 0.00 0.00 33.01 28.57 1nfd s GLN 127 CO 0.23 -0.54 0.51 -0.51 -1.32 0.00 0.00 175.29 173.67 1nfd s LEU 128 N 1.36 4.07 0.37 2.60 1.43 -1.19 -4.99 118.68 122.33 1nfd s LEU 128 Ca -0.01 0.51 0.08 0.00 -1.03 0.00 0.00 54.13 53.67 1nfd s LEU 128 Cb -0.18 -3.33 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 1nfd s LEU 128 CO -0.00 -0.21 0.07 -0.54 0.23 0.00 0.00 176.35 175.90 1nfd s LYS 129 N -3.89 2.13 -0.21 1.70 1.02 -1.26 -4.22 119.74 115.00 1nfd s LYS 129 Ca 0.41 -1.81 0.01 0.00 0.02 0.00 0.00 55.97 54.60 1nfd s LYS 129 Cb -0.10 -1.93 0.05 0.00 -0.52 0.00 0.00 37.83 35.33 1nfd s LYS 129 CO 0.33 0.03 -0.09 0.34 -0.92 0.00 0.00 175.35 175.05 1nfd s ASP 132 N -3.78 3.53 0.56 2.83 2.15 -1.26 -5.00 116.67 115.71 1nfd s ASP 132 Ca 0.37 -0.98 0.25 0.00 0.43 0.00 0.00 52.55 52.63 1nfd s ASP 132 Cb 0.02 -1.21 1.56 0.00 -0.30 0.00 0.00 42.92 42.99 1nfd s ASP 132 CO 0.20 -0.17 2.13 1.55 -0.17 0.00 0.00 175.17 178.71 1nfd h PRO 133 N 7.97 0.00 0.00 4.34 0.13 -1.99 -3.37 132.00 139.07 1nfd h PRO 133 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1nfd h PRO 133 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1nfd h PRO 133 CO 0.45 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.76 1nfd n ARG 134 N -4.08 0.00 -2.00 0.86 5.12 -1.26 -4.82 116.66 110.48 1nfd n ARG 134 Ca 0.01 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.53 1nfd n ARG 134 Cb 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.56 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 -1.83 6.09 0.41 0.55 0.01 -1.26 -4.92 113.70 112.75 1nfd s SER 135 Ca 0.00 2.67 0.10 0.00 1.31 0.00 0.00 55.95 60.03 1nfd s SER 135 Cb 0.00 -2.64 0.87 0.00 0.21 0.00 0.00 66.02 64.46 1nfd s SER 135 CO 0.00 -1.00 1.99 -0.61 0.41 0.00 0.00 173.24 174.02 1nfd h GLN 136 N 2.39 0.30 -6.62 12.44 -0.00 -1.88 -3.43 115.11 118.32 1nfd h GLN 136 Ca -0.50 -0.05 -0.51 0.00 -0.00 0.00 0.00 58.65 57.60 1nfd h GLN 136 Cb 1.26 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.66 1nfd h GLN 136 CO 0.61 0.32 0.32 0.34 0.00 0.00 0.00 178.83 180.42 1nfd s ASP 137 N -6.85 7.53 -0.31 -0.69 2.15 -1.26 -4.98 116.67 112.26 1nfd s ASP 137 Ca -0.06 1.81 -0.06 0.00 0.43 0.00 0.00 52.55 54.68 1nfd s ASP 137 Cb 0.16 -2.58 0.26 0.00 -0.30 0.00 0.00 42.92 40.46 1nfd s ASP 137 CO 0.72 0.07 1.24 -1.54 -0.17 0.00 0.00 175.17 175.50 1nfd n SER 138 N 2.08 -1.09 -4.51 -0.34 3.41 -1.26 -4.89 113.62 107.02 1nfd n SER 138 Ca -0.01 -1.21 -0.43 0.00 -0.26 0.00 0.00 58.87 56.95 1nfd n SER 138 Cb 0.48 0.56 -0.00 0.00 -0.26 0.00 0.00 64.21 64.98 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 0.39 4.64 0.04 6.66 2.01 -1.26 -4.81 115.64 123.31 1nfd s THR 139 Ca 0.24 -2.24 0.04 0.00 0.31 0.00 0.00 61.69 60.04 1nfd s THR 139 Cb 0.18 -5.01 -0.04 0.00 0.01 0.00 0.00 72.50 67.65 1nfd s THR 139 CO -0.08 -1.77 -0.07 -0.22 -0.69 0.00 0.00 174.62 171.78 1nfd s LEU 140 N 2.73 3.14 0.02 4.42 1.98 -1.26 -2.14 118.68 127.55 1nfd s LEU 140 Ca 0.46 -0.22 0.01 0.00 -2.89 0.00 0.00 54.13 51.49 1nfd s LEU 140 Cb -0.00 -1.84 -0.01 0.00 0.66 0.00 0.00 46.19 44.99 1nfd s LEU 140 CO 0.02 0.25 -0.03 0.00 -1.89 0.00 0.00 176.35 174.69 1nfd s LEU 142 N -0.96 1.59 -0.32 0.00 2.96 0.36 -1.80 118.68 120.52 1nfd s LEU 142 Ca -0.09 -0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 53.11 1nfd s LEU 142 Cb -0.07 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1nfd s LEU 142 CO -0.00 -0.16 0.20 0.12 -1.32 0.00 0.00 176.35 175.19 1nfd s PHE 143 N 1.62 3.21 0.34 5.38 5.36 -0.45 -0.89 117.98 132.54 1nfd s PHE 143 Ca 0.02 -0.28 0.04 0.00 -0.96 0.00 0.00 56.93 55.75 1nfd s PHE 143 Cb -0.15 -2.42 -0.03 0.00 -0.34 0.00 0.00 43.02 40.08 1nfd s PHE 143 CO -0.08 -0.36 0.16 0.99 -1.46 0.00 0.00 175.22 174.47 1nfd s THR 144 N 1.69 0.41 -0.40 0.12 2.01 -0.49 -1.21 115.64 117.77 1nfd s THR 144 Ca 0.06 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.06 1nfd s THR 144 Cb -0.17 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1nfd s THR 144 CO 0.09 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.49 1nfd n ASP 145 N -1.11 -1.35 -4.85 3.53 9.92 -0.85 -2.89 116.55 118.95 1nfd n ASP 145 Ca -0.00 0.09 -0.32 0.00 -0.53 0.00 0.00 54.79 54.03 1nfd n ASP 145 Cb 0.65 -1.46 -0.05 0.00 -0.64 0.00 0.00 41.12 39.62 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 -1.12 3.41 0.55 1.24 -0.12 -1.26 0.12 117.98 120.81 1nfd s PHE 146 Ca 0.00 1.34 -0.19 0.00 -0.05 0.00 0.00 56.93 58.03 1nfd s PHE 146 Cb 0.00 -2.66 -0.08 0.00 -0.63 0.00 0.00 43.02 39.64 1nfd s PHE 146 CO 0.00 -0.16 0.62 -3.47 -0.05 0.00 0.00 175.22 172.15 1nfd n ASP 147 N -1.10 -0.64 0.00 1.98 2.03 -1.26 -4.47 116.55 113.09 1nfd n ASP 147 Ca 0.05 0.78 0.08 0.00 0.52 0.00 0.00 54.79 56.21 1nfd n ASP 147 Cb 0.54 -1.21 0.45 0.00 -0.72 0.00 0.00 41.12 40.18 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 0.37 0.00 -0.00 1.67 2.88 -1.26 -3.28 113.62 114.00 1nfd n SER 148 Ca 0.12 -1.11 0.03 0.00 -1.33 0.00 0.00 58.87 56.58 1nfd n SER 148 Cb 0.46 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.80 3.67 -2.33 -1.46 1.13 -1.26 -4.91 117.38 111.42 1nfd n GLN 149 Ca 0.11 -0.02 -0.39 0.00 -1.94 0.00 0.00 57.00 54.77 1nfd n GLN 149 Cb 0.05 -0.88 -0.03 0.00 0.11 0.00 0.00 30.24 29.50 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 -1.80 3.21 -0.70 5.09 -4.36 -1.20 -4.98 121.20 116.46 1nfd s ILE 150 Ca 0.01 1.07 -0.21 0.00 -0.26 0.00 0.00 60.65 61.26 1nfd s ILE 150 Cb 0.04 -3.62 0.09 0.00 1.25 0.00 0.00 42.46 40.22 1nfd s ILE 150 CO 0.24 0.15 0.93 0.20 0.24 0.00 0.00 174.94 176.70 1nfd s ASN 151 N -1.03 6.27 0.16 4.36 0.01 -1.26 -5.01 114.94 118.43 1nfd s ASN 151 Ca 0.54 -1.31 -0.34 0.00 -0.71 0.00 0.00 52.86 51.04 1nfd s ASN 151 Cb -0.31 -2.39 -0.14 0.00 0.41 0.00 0.00 41.25 38.82 1nfd s ASN 151 CO 0.40 -1.29 1.59 0.52 -1.51 0.00 0.00 177.10 176.82 1nfd n VAL 152 N 5.74 0.01 -0.39 1.60 0.31 -1.26 -4.95 118.33 119.39 1nfd n VAL 152 Ca 0.00 -0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.06 1nfd n VAL 152 Cb 0.45 -1.58 0.25 0.00 -0.91 0.00 0.00 33.84 32.05 1nfd n VAL 152 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1nfd n PRO 153 N 3.52 -3.46 -4.27 5.55 -0.04 -1.26 -5.04 135.00 129.99 1nfd n PRO 153 Ca 0.17 -1.02 -0.16 0.00 -0.04 0.00 0.00 63.50 62.46 1nfd n PRO 153 Cb 0.29 -1.86 -0.10 0.00 -0.04 0.00 0.00 33.50 31.79 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 -4.39 1.13 0.37 0.54 1.02 -1.26 -4.88 119.74 112.27 1nfd s LYS 154 Ca 0.60 -1.47 -0.28 0.00 0.02 0.00 0.00 55.97 54.84 1nfd s LYS 154 Cb -0.14 -0.78 -0.11 0.00 -0.52 0.00 0.00 37.83 36.27 1nfd s LYS 154 CO 0.55 0.11 1.46 2.41 -0.92 0.00 0.00 175.35 178.97 1nfd n THR 155 N -0.18 1.96 0.33 2.17 -1.04 -1.26 -4.93 114.28 111.34 1nfd n THR 155 Ca -0.10 -0.49 0.03 0.00 -2.04 0.00 0.00 64.05 61.45 1nfd n THR 155 Cb 0.60 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 67.16 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 0.52 4.42 -3.92 -2.82 0.00 -1.26 -5.02 117.12 109.04 1nfd n MET 156 Ca 0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 57.70 57.57 1nfd n MET 156 Cb 0.38 -0.85 -0.08 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 -1.60 0.90 1.03 0.03 -1.05 -1.26 -5.14 118.70 111.61 1nfd s GLU 157 Ca 0.03 -1.06 -0.12 0.00 -0.15 0.00 0.00 54.97 53.67 1nfd s GLU 157 Cb 0.05 0.33 0.21 0.00 -0.44 0.00 0.00 34.13 34.28 1nfd s GLU 157 CO 0.28 -0.29 1.07 -1.54 0.95 0.00 0.00 175.26 175.73 1nfd s SER 158 N -2.90 2.22 0.00 0.83 1.04 -1.26 -3.01 113.70 110.62 1nfd s SER 158 Ca 0.09 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1nfd s SER 158 Cb 0.05 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 64.05 1nfd s SER 158 CO -0.08 -3.41 0.00 0.61 0.98 0.00 0.00 173.24 171.34 1nfd n GLY 159 N -0.35 1.25 3.56 7.32 0.00 -1.26 -4.82 105.19 110.88 1nfd n GLY 159 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.84 3.02 -0.29 2.61 2.01 -1.16 -0.93 115.64 119.05 1nfd s THR 160 Ca 0.00 -2.09 -0.17 0.00 0.31 0.00 0.00 61.69 59.75 1nfd s THR 160 Cb 0.00 -2.59 0.14 0.00 0.01 0.00 0.00 72.50 70.06 1nfd s THR 160 CO 0.00 -0.35 0.95 0.12 -0.69 0.00 0.00 174.62 174.64 1nfd s PHE 161 N -2.32 -0.62 -0.30 4.92 5.36 -0.07 -4.87 117.98 120.08 1nfd s PHE 161 Ca 0.30 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1nfd s PHE 161 Cb -0.06 0.38 0.06 0.00 -0.34 0.00 0.00 43.02 43.06 1nfd s PHE 161 CO 0.17 -0.31 -0.01 0.42 -1.46 0.00 0.00 175.22 174.03 1nfd s ILE 162 N 1.29 2.71 0.13 3.12 1.09 -1.26 -2.43 121.20 125.85 1nfd s ILE 162 Ca -0.08 -1.59 -0.02 0.00 -1.10 0.00 0.00 60.65 57.86 1nfd s ILE 162 Cb -0.04 -2.62 0.03 0.00 -1.06 0.00 0.00 42.46 38.77 1nfd s ILE 162 CO -0.15 -0.17 0.09 0.35 -0.10 0.00 0.00 174.94 174.97 1nfd n THR 163 N 4.53 0.00 -4.05 2.92 -2.24 -1.16 -4.64 114.28 109.64 1nfd n THR 163 Ca -0.11 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 1nfd n THR 163 Cb 0.43 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.98 5.82 0.46 3.42 1.11 -1.26 -4.87 116.67 119.37 1nfd s ASP 164 Ca 0.07 0.18 -0.22 0.00 0.18 0.00 0.00 52.55 52.75 1nfd s ASP 164 Cb -0.01 -1.70 -0.10 0.00 1.07 0.00 0.00 42.92 42.18 1nfd s ASP 164 CO 0.05 0.26 0.85 2.29 1.18 0.00 0.00 175.17 179.80 1nfd n LYS 165 N 1.06 1.02 -3.77 8.23 2.85 -1.26 -4.76 118.16 121.54 1nfd n LYS 165 Ca -0.12 0.37 -0.13 0.00 -1.05 0.00 0.00 58.31 57.39 1nfd n LYS 165 Cb 0.53 -1.90 -0.11 0.00 -0.65 0.00 0.00 35.03 32.89 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 -1.39 -0.00 0.08 0.58 -4.23 -0.48 -4.94 115.64 105.26 1nfd s THR 166 Ca 0.65 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 61.07 1nfd s THR 166 Cb -0.54 -0.40 -0.06 0.00 1.34 0.00 0.00 72.50 72.84 1nfd s THR 166 CO 0.55 0.01 0.43 -0.69 -0.54 0.00 0.00 174.62 174.38 1nfd s VAL 167 N 0.26 5.04 -0.02 2.29 1.01 -1.26 0.24 120.40 127.96 1nfd s VAL 167 Ca -0.01 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1nfd s VAL 167 Cb -0.03 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1nfd s VAL 167 CO -0.01 0.30 0.03 -1.48 0.00 0.00 0.00 175.10 173.94 1nfd s LEU 168 N -1.85 1.13 -0.56 3.92 0.05 -0.65 -4.98 118.68 115.75 1nfd s LEU 168 Ca 0.33 0.03 0.04 0.00 0.05 0.00 0.00 54.13 54.58 1nfd s LEU 168 Cb -0.14 -0.08 0.14 0.00 -2.05 0.00 0.00 46.19 44.05 1nfd s LEU 168 CO 0.18 -0.12 0.31 -0.62 -0.55 0.00 0.00 176.35 175.55 1nfd s ASP 169 N 1.01 4.45 1.05 1.48 2.15 -1.26 -0.51 116.67 125.03 1nfd s ASP 169 Ca -0.09 -3.14 -0.12 0.00 0.43 0.00 0.00 52.55 49.63 1nfd s ASP 169 Cb -0.12 -1.65 0.20 0.00 -0.30 0.00 0.00 42.92 41.04 1nfd s ASP 169 CO -0.03 -0.21 0.94 1.15 -0.17 0.00 0.00 175.17 176.85 1nfd n MET 170 N 2.95 -1.39 0.00 4.34 0.00 -1.26 -4.63 117.12 117.13 1nfd n MET 170 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 57.70 57.41 1nfd n MET 170 Cb 0.33 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.35 1nfd n MET 170 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1nfd n LYS 171 N -4.17 0.00 -0.49 3.17 2.85 -1.26 -4.12 118.16 114.14 1nfd n LYS 171 Ca 0.07 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.22 1nfd n LYS 171 Cb 0.54 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.85 1nfd n LYS 171 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nfd n ALA 172 N 0.00 0.23 0.06 0.58 0.00 -1.26 -4.50 120.51 115.62 1nfd n ALA 172 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1nfd n ALA 172 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1nfd n ALA 172 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1nfd n MET 173 N 2.32 0.00 0.00 0.00 0.00 -1.26 -5.16 117.12 113.02 1nfd n MET 173 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.92 1nfd n MET 173 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.25 1nfd n MET 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1nfd n ASP 174 N -2.91 1.21 -4.54 6.12 8.00 -1.26 -5.16 116.55 118.01 1nfd n ASP 174 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1nfd n ASP 174 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 1nfd n ASP 174 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1nfd n SER 175 N 0.00 -0.86 -4.17 -2.24 2.88 -1.26 -4.92 113.62 103.05 1nfd n SER 175 Ca 0.00 0.33 -0.18 0.00 -1.33 0.00 0.00 58.87 57.69 1nfd n SER 175 Cb 0.00 -1.34 0.08 0.00 -0.75 0.00 0.00 64.21 62.21 1nfd n SER 175 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1nfd n LYS 176 N -3.22 0.22 -3.75 -1.46 4.01 -1.26 -4.73 118.16 107.97 1nfd n LYS 176 Ca 0.09 -2.31 -0.13 0.00 -0.51 0.00 0.00 58.31 55.45 1nfd n LYS 176 Cb 0.53 -0.44 -0.13 0.00 -0.51 0.00 0.00 35.03 34.48 1nfd n LYS 176 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1nfd s SER 177 N -4.20 -0.20 0.09 4.39 0.15 0.33 -4.94 113.70 109.32 1nfd s SER 177 Ca 0.53 0.42 -0.26 0.00 0.70 0.00 0.00 55.95 57.33 1nfd s SER 177 Cb -0.03 0.33 -0.06 0.00 -1.71 0.00 0.00 66.02 64.55 1nfd s SER 177 CO 0.35 -0.14 0.82 0.20 1.20 0.00 0.00 173.24 175.67 1nfd s ASN 178 N 0.98 7.32 0.37 5.45 0.02 -1.26 -1.63 114.94 126.19 1nfd s ASN 178 Ca -0.07 1.58 0.05 0.00 -1.02 0.00 0.00 52.86 53.40 1nfd s ASN 178 Cb -0.09 -2.51 -0.07 0.00 0.02 0.00 0.00 41.25 38.61 1nfd s ASN 178 CO -0.06 0.03 0.04 -0.83 0.02 0.00 0.00 177.10 176.30 1nfd s GLY 179 N -0.24 2.29 0.00 0.66 0.00 0.14 -2.00 107.32 108.17 1nfd s GLY 179 Ca 0.40 -2.11 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1nfd s GLY 179 CO 0.25 -1.94 0.00 0.00 0.00 0.00 0.00 173.10 171.41 1nfd n ALA 180 N -0.82 0.00 -2.86 3.20 0.00 -0.35 -1.38 120.51 118.29 1nfd n ALA 180 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 1nfd n ALA 180 Cb 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 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 5.01 0.05 0.00 -4.36 -1.26 -1.34 121.20 119.29 1nfd s ILE 181 Ca 0.00 -0.61 0.02 0.00 -0.26 0.00 0.00 60.65 59.80 1nfd s ILE 181 Cb 0.00 -3.46 -0.03 0.00 1.25 0.00 0.00 42.46 40.23 1nfd s ILE 181 CO 0.00 0.09 -0.08 0.00 0.24 0.00 0.00 174.94 175.19 1nfd s ALA 182 N -1.51 0.66 0.06 2.27 0.00 -0.74 -2.96 121.76 119.54 1nfd s ALA 182 Ca 0.33 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 1nfd s ALA 182 Cb -0.12 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1nfd s ALA 182 CO 0.26 -0.01 0.21 1.67 0.00 0.00 0.00 175.76 177.88 1nfd s TRP 183 N -1.52 0.08 0.31 0.00 -2.14 -1.02 -0.16 118.94 114.49 1nfd s TRP 183 Ca -0.08 -0.39 -0.17 0.00 2.66 0.00 0.00 56.10 58.12 1nfd s TRP 183 Cb -0.09 -0.03 0.03 0.00 -3.10 0.00 0.00 33.47 30.28 1nfd s TRP 183 CO 0.00 -0.49 0.70 -1.54 -2.66 0.00 0.00 176.95 172.95 1nfd s SER 184 N -2.46 -0.09 -0.02 -2.66 1.04 -0.91 -0.89 113.70 107.71 1nfd s SER 184 Ca -0.00 -0.86 0.16 0.00 0.48 0.00 0.00 55.95 55.73 1nfd s SER 184 Cb 0.02 0.75 -0.25 0.00 0.10 0.00 0.00 66.02 66.63 1nfd s SER 184 CO -0.07 -1.42 0.36 -0.46 0.98 0.00 0.00 173.24 172.62 1nfd n ASN 185 N -0.79 1.30 -3.40 7.02 6.94 -0.10 -4.10 115.26 122.13 1nfd n ASN 185 Ca -0.05 -0.01 -0.32 0.00 -0.02 0.00 0.00 54.58 54.18 1nfd n ASN 185 Cb 0.60 1.73 -0.04 0.00 -2.36 0.00 0.00 39.78 39.71 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 -2.06 1.40 0.00 -3.83 3.00 -1.26 -4.68 117.38 109.95 1nfd n GLN 186 Ca -0.03 -1.49 0.00 0.00 -0.01 0.00 0.00 57.00 55.47 1nfd n GLN 186 Cb 0.42 -2.62 0.00 0.00 0.00 0.00 0.00 30.24 28.03 1nfd n GLN 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1nfd n THR 187 N 5.39 0.00 -0.08 5.09 -1.04 -1.26 -0.03 114.28 122.36 1nfd n THR 187 Ca 0.43 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.33 1nfd n THR 187 Cb 0.27 -0.32 -0.15 0.00 -1.82 0.00 0.00 70.33 68.31 1nfd n THR 187 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1nfd n SER 188 N -0.09 0.50 -4.39 8.00 3.41 -1.26 -4.99 113.62 114.80 1nfd n SER 188 Ca 0.00 0.12 -0.29 0.00 -0.26 0.00 0.00 58.87 58.44 1nfd n SER 188 Cb 0.00 0.50 0.21 0.00 -0.26 0.00 0.00 64.21 64.65 1nfd n SER 188 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1nfd s PHE 189 N -2.53 1.51 0.08 7.33 0.08 0.96 -5.10 117.98 120.31 1nfd s PHE 189 Ca -0.11 0.83 0.02 0.00 0.12 0.00 0.00 56.93 57.79 1nfd s PHE 189 Cb 0.07 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 1nfd s PHE 189 CO 0.81 -3.34 -0.07 0.99 -0.10 0.00 0.00 175.22 173.50 1nfd s THR 190 N -2.92 0.64 0.26 0.64 2.01 -1.26 -5.00 115.64 110.01 1nfd s THR 190 Ca 0.67 -1.70 -0.02 0.00 0.31 0.00 0.00 61.69 60.95 1nfd s THR 190 Cb -0.16 -1.39 0.25 0.00 0.01 0.00 0.00 72.50 71.21 1nfd s THR 190 CO 0.58 -0.74 1.69 0.00 -0.69 0.00 0.00 174.62 175.46 1nfd h GLN 192 N 0.34 0.57 0.25 0.00 -0.00 -1.93 0.65 115.11 114.99 1nfd h GLN 192 Ca 0.47 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 59.07 1nfd h GLN 192 Cb 0.82 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.17 1nfd h GLN 192 CO -0.50 0.38 -0.12 -0.44 0.00 0.00 0.00 178.83 178.15 1nfd h ASP 193 N 0.59 -0.28 -0.88 -0.69 5.19 -1.39 -3.09 116.42 115.88 1nfd h ASP 193 Ca 0.25 -0.24 0.22 0.00 -0.62 0.00 0.00 57.03 56.64 1nfd h ASP 193 Cb 0.14 0.07 -0.12 0.00 0.18 0.00 0.00 39.33 39.60 1nfd h ASP 193 CO -0.16 0.15 0.35 0.40 -3.12 0.00 0.00 179.24 176.86 1nfd h ILE 194 N -0.79 0.46 -1.85 0.35 5.03 0.07 -2.44 117.51 118.35 1nfd h ILE 194 Ca -0.03 -0.12 -0.76 0.00 -0.12 0.00 0.00 64.86 63.82 1nfd h ILE 194 Cb 0.51 0.07 -0.18 0.00 -3.03 0.00 0.00 36.82 34.18 1nfd h ILE 194 CO 0.06 0.07 1.65 0.49 -0.68 0.00 0.00 178.15 179.73 1nfd n PHE 195 N -5.08 3.47 -1.68 1.37 3.01 0.22 -4.95 117.46 113.82 1nfd n PHE 195 Ca 0.21 -2.96 -0.37 0.00 1.01 0.00 0.00 57.45 55.34 1nfd n PHE 195 Cb 0.64 -1.92 0.06 0.00 -0.01 0.00 0.00 39.48 38.25 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 3.96 1.08 -2.80 -1.08 3.00 -0.92 -3.94 118.16 117.45 1nfd n LYS 196 Ca 0.37 0.42 -0.04 0.00 -0.00 0.00 0.00 58.31 59.06 1nfd n LYS 196 Cb 0.38 -2.38 0.00 0.00 0.00 0.00 0.00 35.03 33.03 1nfd n LYS 196 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1nfd n GLU 197 N -1.44 -2.95 -5.11 1.64 -0.58 -1.26 -4.59 120.64 106.34 1nfd n GLU 197 Ca 0.14 2.45 -0.32 0.00 -0.42 0.00 0.00 57.16 59.02 1nfd n GLU 197 Cb 0.47 -5.29 -0.16 0.00 -0.57 0.00 0.00 31.44 25.89 1nfd n GLU 197 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1nfd s THR 198 N -1.98 2.28 -0.65 2.62 -4.23 -1.25 -4.85 115.64 107.58 1nfd s THR 198 Ca 0.10 -0.94 0.05 0.00 -1.18 0.00 0.00 61.69 59.73 1nfd s THR 198 Cb -0.03 -1.89 0.18 0.00 1.34 0.00 0.00 72.50 72.10 1nfd s THR 198 CO 0.76 0.55 0.51 -3.20 -0.54 0.00 0.00 174.62 172.70 1nfd n ASN 203 N 3.54 2.58 -2.28 3.99 2.85 -1.26 -5.02 115.26 119.66 1nfd n ASN 203 Ca -0.19 -3.12 -0.03 0.00 -0.11 0.00 0.00 54.58 51.13 1nfd n ASN 203 Cb 0.53 -0.71 0.01 0.00 1.24 0.00 0.00 39.78 40.85 1nfd n ASN 203 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nfd n ALA 204 N 1.89 -1.45 -3.13 5.20 0.00 -1.26 -4.78 120.51 116.98 1nfd n ALA 204 Ca 0.23 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.69 1nfd n ALA 204 Cb 0.38 0.42 -0.16 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.32 2.52 -1.02 0.00 2.01 -1.24 -4.99 115.64 110.60 1nfd s THR 205 Ca 0.12 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 1nfd s THR 205 Cb -0.02 -2.01 0.28 0.00 0.01 0.00 0.00 72.50 70.76 1nfd s THR 205 CO 0.04 0.54 1.15 0.00 -0.69 0.00 0.00 174.62 175.67 1nfd n TYR 206 N 3.48 3.86 -1.93 4.92 4.11 -1.26 -2.34 117.16 128.01 1nfd n TYR 206 Ca -0.19 -3.51 -0.42 0.00 -0.00 0.00 0.00 57.90 53.78 1nfd n TYR 206 Cb 0.53 -1.33 -0.03 0.00 -0.00 0.00 0.00 39.34 38.51 1nfd n TYR 206 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1nfd s PRO 207 N -1.95 4.19 -0.23 -3.48 0.04 -1.26 -4.97 135.00 127.34 1nfd s PRO 207 Ca 0.31 2.33 -0.35 0.00 0.04 0.00 0.00 61.00 63.33 1nfd s PRO 207 Cb -0.02 -3.68 0.15 0.00 0.04 0.00 0.00 34.50 30.99 1nfd s PRO 207 CO -0.02 -0.76 1.27 0.45 0.04 0.00 0.00 177.00 177.98 1nfd s SER 208 N 2.64 -0.10 0.08 6.66 0.15 -1.26 -4.73 113.70 117.14 1nfd s SER 208 Ca 0.75 0.03 -0.15 0.00 0.70 0.00 0.00 55.95 57.27 1nfd s SER 208 Cb -0.39 0.10 0.05 0.00 -1.71 0.00 0.00 66.02 64.07 1nfd s SER 208 CO 0.32 -0.15 0.71 -1.20 1.20 0.00 0.00 173.24 174.12 1nfd n SER 209 N 0.07 -1.01 -4.78 5.45 7.64 -1.26 -5.16 113.62 114.57 1nfd n SER 209 Ca 0.01 -1.46 -0.35 0.00 1.01 0.00 0.00 58.87 58.08 1nfd n SER 209 Cb 0.58 1.63 -0.01 0.00 -1.01 0.00 0.00 64.21 65.39 1nfd n SER 209 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1nfd s ASP 210 N -2.64 6.07 -0.14 6.43 -4.77 -1.26 -4.99 116.67 115.37 1nfd s ASP 210 Ca 0.16 2.12 -0.29 0.00 -3.30 0.00 0.00 52.55 51.24 1nfd s ASP 210 Cb -0.01 -2.58 -0.01 0.00 -1.09 0.00 0.00 42.92 39.23 1nfd s ASP 210 CO 0.02 -0.98 1.02 0.68 0.70 0.00 0.00 175.17 176.61 1nfd s VAL 211 N -1.77 4.76 1.29 2.11 -7.23 -1.26 -5.04 120.40 113.25 1nfd s VAL 211 Ca 0.68 2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 62.71 1nfd s VAL 211 Cb -0.23 -4.31 0.32 0.00 0.56 0.00 0.00 36.38 32.72 1nfd s VAL 211 CO 0.27 -0.04 1.00 -2.84 -0.31 0.00 0.00 175.10 173.17 1nfd s PRO 212 N 2.33 -1.88 0.00 4.82 0.02 -1.26 -5.37 135.00 133.66 1nfd s PRO 212 Ca 0.47 0.32 0.00 0.00 0.02 0.00 0.00 61.00 61.81 1nfd s PRO 212 Cb -0.17 -1.48 0.00 0.00 0.02 0.00 0.00 34.50 32.86 1nfd s PRO 212 CO 0.15 -4.23 0.00 0.00 -0.33 0.00 0.00 177.00 172.59