#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgr s GLY 2 N 0.00 2.36 0.21 0.00 0.00 -1.26 -4.75 107.32 103.88 1pgr s GLY 2 Ca 0.00 -0.37 0.10 0.00 0.00 0.00 0.00 44.72 44.46 1pgr s GLY 2 CO 0.00 -0.12 -0.14 -0.19 0.00 0.00 0.00 173.10 172.65 1pgr s TYR 3 N -1.32 2.49 0.78 1.90 2.02 0.36 -5.03 117.35 118.55 1pgr s TYR 3 Ca 0.30 -0.28 -0.13 0.00 -0.37 0.00 0.00 57.07 56.60 1pgr s TYR 3 Cb -0.14 -1.19 0.07 0.00 -0.40 0.00 0.00 41.96 40.30 1pgr s TYR 3 CO 0.17 0.55 1.16 -1.25 -1.57 0.00 0.00 175.55 174.61 1pgr s PRO 4 N -2.99 1.95 0.33 -1.71 0.04 -1.26 -4.72 135.00 126.63 1pgr s PRO 4 Ca 0.25 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 1pgr s PRO 4 Cb -0.08 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 1pgr s PRO 4 CO 0.14 -1.94 1.24 -2.14 0.04 0.00 0.00 177.00 174.34 1pgr s PRO 5 N -4.32 4.39 0.29 0.56 0.02 -1.26 -4.90 135.00 129.78 1pgr s PRO 5 Ca 0.69 2.07 -0.11 0.00 0.02 0.00 0.00 61.00 63.67 1pgr s PRO 5 Cb -0.24 -3.06 -0.08 0.00 0.02 0.00 0.00 34.50 31.15 1pgr s PRO 5 CO 0.50 -0.11 0.64 0.00 -0.33 0.00 0.00 177.00 177.71 1pgr s ALA 6 N -1.17 3.46 -0.04 -1.55 0.00 -1.26 -4.32 121.76 116.87 1pgr s ALA 6 Ca 0.49 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 1pgr s ALA 6 Cb -0.37 -2.57 -0.07 0.00 0.00 0.00 0.00 23.12 20.11 1pgr s ALA 6 CO 0.48 0.37 1.85 -1.12 0.00 0.00 0.00 175.76 177.34 1pgr s SER 7 N -2.48 6.42 0.65 0.00 0.01 -1.26 -4.77 113.70 112.26 1pgr s SER 7 Ca 0.50 2.34 -0.17 0.00 1.31 0.00 0.00 55.95 59.93 1pgr s SER 7 Cb -0.11 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.53 1pgr s SER 7 CO 0.22 -1.12 0.57 -2.65 0.41 0.00 0.00 173.24 170.67 1pgr n PRO 8 N 7.53 0.45 -4.03 12.44 -0.02 -1.26 -4.90 135.00 145.20 1pgr n PRO 8 Ca 0.20 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1pgr n PRO 8 Cb 0.42 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 1pgr n PRO 8 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pgr s SER 9 N -1.32 0.14 -1.21 2.55 1.04 0.49 -4.35 113.70 111.04 1pgr s SER 9 Ca 0.68 -1.10 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 1pgr s SER 9 Cb -0.40 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 1pgr s SER 9 CO 0.55 -1.16 0.88 -3.20 0.98 0.00 0.00 173.24 171.29 1pgr n ASN 10 N -0.61 -2.67 -4.68 7.02 5.15 -1.26 0.44 115.26 118.65 1pgr n ASN 10 Ca -0.01 -0.72 -0.43 0.00 -0.60 0.00 0.00 54.58 52.83 1pgr n ASN 10 Cb 0.62 -4.71 -0.02 0.00 -0.53 0.00 0.00 39.78 35.14 1pgr n ASN 10 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1pgr s LEU 11 N -6.31 4.22 0.04 1.20 2.96 -1.26 -4.32 118.68 115.22 1pgr s LEU 11 Ca 0.10 1.53 0.02 0.00 -0.22 0.00 0.00 54.13 55.57 1pgr s LEU 11 Cb -0.02 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1pgr s LEU 11 CO 0.76 -0.50 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.27 1pgr s SER 12 N 1.16 0.92 0.01 3.68 1.04 -0.00 -4.97 113.70 115.54 1pgr s SER 12 Ca 0.48 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.45 1pgr s SER 12 Cb -0.18 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 1pgr s SER 12 CO 0.16 -0.15 -0.09 0.00 0.98 0.00 0.00 173.24 174.15 1pgr s LEU 14 N -0.70 1.67 -0.33 0.00 1.43 0.61 -4.87 118.68 116.49 1pgr s LEU 14 Ca -0.00 -0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 1pgr s LEU 14 Cb -0.05 -0.40 -0.01 0.00 0.03 0.00 0.00 46.19 45.76 1pgr s LEU 14 CO 0.00 0.02 0.60 -0.32 0.23 0.00 0.00 176.35 176.88 1pgr s MET 15 N 0.37 3.77 -0.31 1.70 -2.45 0.28 0.04 119.30 122.70 1pgr s MET 15 Ca -0.05 0.11 -0.13 0.00 -1.25 0.00 0.00 55.69 54.37 1pgr s MET 15 Cb -0.09 -3.77 -0.03 0.00 1.25 0.00 0.00 34.83 32.19 1pgr s MET 15 CO -0.00 -0.63 0.26 -1.01 1.05 0.00 0.00 175.02 174.69 1pgr s HIS 16 N 2.58 3.22 0.04 4.11 0.09 0.56 -1.02 115.29 124.88 1pgr s HIS 16 Ca 0.23 0.04 0.22 0.00 -0.00 0.00 0.00 55.06 55.55 1pgr s HIS 16 Cb -0.15 -2.48 0.71 0.00 -0.00 0.00 0.00 32.58 30.65 1pgr s HIS 16 CO 0.13 -0.27 1.73 -0.07 -0.00 0.00 0.00 174.74 176.26 1pgr h LEU 17 N 8.50 0.00 0.76 0.89 3.38 -1.86 0.81 115.31 127.79 1pgr h LEU 17 Ca -0.33 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1pgr h LEU 17 Cb 1.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.93 1pgr h LEU 17 CO 0.61 0.27 -0.37 0.71 0.09 0.00 0.00 178.44 179.76 1pgr h THR 18 N 0.00 0.00 0.00 0.22 1.35 -1.92 -3.09 112.91 109.47 1pgr h THR 18 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1pgr h THR 18 Cb 0.90 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1pgr h THR 18 CO 0.04 0.00 -0.28 0.35 -0.25 0.00 0.00 175.52 175.38 1pgr n THR 19 N -5.37 0.15 -3.53 6.82 -2.24 -1.24 -4.95 114.28 103.93 1pgr n THR 19 Ca -0.13 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 1pgr n THR 19 Cb 0.40 -0.20 0.05 0.00 -2.10 0.00 0.00 70.33 68.49 1pgr n THR 19 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pgr n ASN 20 N -1.72 -3.97 -3.69 3.42 4.05 0.27 -4.88 115.26 108.74 1pgr n ASN 20 Ca 0.06 -0.81 -0.13 0.00 0.45 0.00 0.00 54.58 54.14 1pgr n ASN 20 Cb 0.37 -4.36 -0.07 0.00 1.23 0.00 0.00 39.78 36.94 1pgr n ASN 20 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1pgr s SER 21 N -3.84 -0.27 -0.25 1.20 1.04 -0.65 -2.60 113.70 108.32 1pgr s SER 21 Ca 0.26 0.09 -0.21 0.00 0.48 0.00 0.00 55.95 56.57 1pgr s SER 21 Cb -0.06 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1pgr s SER 21 CO 0.79 -0.57 0.68 -0.22 0.98 0.00 0.00 173.24 174.90 1pgr s LEU 22 N -1.67 4.07 -0.17 2.42 2.96 -0.29 -0.32 118.68 125.67 1pgr s LEU 22 Ca -0.09 0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 1pgr s LEU 22 Cb -0.02 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.72 1pgr s LEU 22 CO 0.01 -0.40 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.88 1pgr s VAL 23 N 2.58 3.40 0.10 1.68 1.01 0.11 -0.92 120.40 128.36 1pgr s VAL 23 Ca 0.28 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1pgr s VAL 23 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1pgr s VAL 23 CO 0.08 0.48 -0.12 0.00 0.00 0.00 0.00 175.10 175.54 1pgr s GLN 25 N -2.17 0.57 0.30 0.00 -2.07 0.83 -1.66 119.66 115.46 1pgr s GLN 25 Ca 0.20 -0.68 -0.01 0.00 -1.82 0.00 0.00 55.36 53.06 1pgr s GLN 25 Cb -0.11 0.23 -0.02 0.00 -1.09 0.00 0.00 33.01 32.02 1pgr s GLN 25 CO 0.13 -0.14 0.36 1.67 -1.32 0.00 0.00 175.29 175.98 1pgr s TRP 26 N -2.35 1.17 -0.22 9.60 -2.14 -0.39 -0.82 118.94 123.79 1pgr s TRP 26 Ca -0.07 -1.33 0.00 0.00 2.66 0.00 0.00 56.10 57.36 1pgr s TRP 26 Cb -0.03 -0.30 0.03 0.00 -3.10 0.00 0.00 33.47 30.07 1pgr s TRP 26 CO -0.03 -0.95 -0.12 -2.00 -2.66 0.00 0.00 176.95 171.18 1pgr s GLU 27 N -3.50 2.85 0.19 3.25 -6.30 0.17 -4.77 118.70 110.59 1pgr s GLU 27 Ca 0.34 -0.95 0.24 0.00 -2.50 0.00 0.00 54.97 52.10 1pgr s GLU 27 Cb 0.02 -2.80 0.91 0.00 0.00 0.00 0.00 34.13 32.25 1pgr s GLU 27 CO 0.19 -0.33 1.72 -0.35 0.02 0.00 0.00 175.26 176.51 1pgr n PRO 28 N 4.62 0.17 0.00 4.30 -0.04 -1.26 -0.38 135.00 142.41 1pgr n PRO 28 Ca -0.18 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1pgr n PRO 28 Cb 0.48 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1pgr n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pgr n GLY 29 N 0.52 -1.62 3.64 0.55 0.00 -1.26 -4.50 105.19 102.52 1pgr n GLY 29 Ca 0.04 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 1pgr n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pgr n PRO 30 N 0.00 1.38 -1.91 1.61 -0.02 -1.26 -4.92 135.00 129.88 1pgr n PRO 30 Ca 0.00 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1pgr n PRO 30 Cb 0.00 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 1pgr n PRO 30 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1pgr s GLU 31 N -2.32 4.20 0.02 -0.52 2.56 -1.26 -4.84 118.70 116.54 1pgr s GLU 31 Ca 0.67 2.35 0.12 0.00 0.00 0.00 0.00 54.97 58.11 1pgr s GLU 31 Cb -0.50 -3.54 -0.20 0.00 2.00 0.00 0.00 34.13 31.90 1pgr s GLU 31 CO 0.54 -0.72 0.83 1.79 -0.56 0.00 0.00 175.26 177.13 1pgr h THR 32 N 4.69 0.94 0.00 -1.70 1.35 -1.90 -3.45 112.91 112.83 1pgr h THR 32 Ca -0.43 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 62.75 1pgr h THR 32 Cb 1.20 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 1pgr h THR 32 CO 0.93 0.53 0.00 1.41 -0.25 0.00 0.00 175.52 178.14 1pgr n HIS 33 N -3.08 0.00 -4.43 4.73 8.25 -1.26 -0.48 115.22 118.94 1pgr n HIS 33 Ca -0.12 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.10 1pgr n HIS 33 Cb 0.98 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.00 1pgr n HIS 33 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pgr s LEU 34 N 0.00 2.75 -0.75 2.41 1.43 -1.26 -4.86 118.68 118.40 1pgr s LEU 34 Ca 0.00 -0.97 -0.26 0.00 -1.03 0.00 0.00 54.13 51.87 1pgr s LEU 34 Cb 0.00 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 1pgr s LEU 34 CO 0.00 -0.01 1.67 -2.84 0.23 0.00 0.00 176.35 175.39 1pgr s PRO 35 N -3.57 2.89 0.00 1.29 0.02 -1.26 -4.96 135.00 129.41 1pgr s PRO 35 Ca 0.31 -0.00 0.00 0.00 0.02 0.00 0.00 61.00 61.33 1pgr s PRO 35 Cb -0.04 -4.57 -0.04 0.00 0.02 0.00 0.00 34.50 29.87 1pgr s PRO 35 CO 0.16 -2.63 0.07 -0.08 -0.33 0.00 0.00 177.00 174.19 1pgr s THR 36 N 7.84 4.61 0.22 0.99 -1.32 -1.26 -4.59 115.64 122.14 1pgr s THR 36 Ca 0.56 -0.46 0.10 0.00 -1.21 0.00 0.00 61.69 60.68 1pgr s THR 36 Cb -0.09 -3.11 -0.04 0.00 -1.51 0.00 0.00 72.50 67.75 1pgr s THR 36 CO 0.11 0.34 -0.11 -0.94 -2.21 0.00 0.00 174.62 171.82 1pgr s SER 37 N -1.73 4.10 -0.03 8.08 1.04 -0.08 -4.89 113.70 120.18 1pgr s SER 37 Ca 0.23 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.98 1pgr s SER 37 Cb -0.12 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 1pgr s SER 37 CO 0.14 0.07 -0.17 -0.36 0.98 0.00 0.00 173.24 173.89 1pgr s PHE 38 N -2.01 1.62 -0.08 5.02 0.40 -1.26 -1.26 117.98 120.41 1pgr s PHE 38 Ca 0.27 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1pgr s PHE 38 Cb -0.07 -1.08 0.03 0.00 0.51 0.00 0.00 43.02 42.41 1pgr s PHE 38 CO 0.16 -0.11 -0.04 0.42 0.70 0.00 0.00 175.22 176.35 1pgr s ILE 39 N -0.12 0.66 -0.25 0.64 1.01 -0.12 -2.05 121.20 120.97 1pgr s ILE 39 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.29 1pgr s ILE 39 Cb -0.10 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.64 1pgr s ILE 39 CO 0.01 0.30 0.99 -0.22 0.00 0.00 0.00 174.94 176.02 1pgr s LEU 40 N 1.71 4.07 -0.03 2.97 2.96 0.13 -1.65 118.68 128.83 1pgr s LEU 40 Ca 0.03 1.22 0.07 0.00 -0.22 0.00 0.00 54.13 55.22 1pgr s LEU 40 Cb -0.13 -3.45 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 1pgr s LEU 40 CO -0.05 -0.67 -0.23 -0.54 -1.32 0.00 0.00 176.35 173.53 1pgr s LYS 41 N 3.20 2.25 0.22 1.98 1.02 0.03 -1.53 119.74 126.91 1pgr s LYS 41 Ca 0.42 -0.87 -0.16 0.00 0.02 0.00 0.00 55.97 55.38 1pgr s LYS 41 Cb -0.15 -2.13 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 1pgr s LYS 41 CO 0.08 0.56 0.52 -1.54 -0.92 0.00 0.00 175.35 174.04 1pgr s SER 42 N -0.59 -0.19 -0.08 2.83 1.04 -1.26 -1.03 113.70 114.43 1pgr s SER 42 Ca 0.09 -0.66 -0.17 0.00 0.48 0.00 0.00 55.95 55.70 1pgr s SER 42 Cb -0.11 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.64 1pgr s SER 42 CO -0.00 -1.10 0.40 0.72 0.98 0.00 0.00 173.24 174.24 1pgr s PHE 43 N -3.93 -0.36 0.50 5.02 -0.12 -0.62 -1.56 117.98 116.91 1pgr s PHE 43 Ca 0.14 0.73 -0.23 0.00 -0.05 0.00 0.00 56.93 57.52 1pgr s PHE 43 Cb -0.01 0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 42.48 1pgr s PHE 43 CO 0.02 -0.35 1.35 1.03 -0.05 0.00 0.00 175.22 177.22 1pgr s ARG 44 N -0.67 3.43 0.00 1.99 0.52 0.23 -1.57 118.95 122.88 1pgr s ARG 44 Ca -0.08 2.22 0.00 0.00 -0.52 0.00 0.00 55.73 57.35 1pgr s ARG 44 Cb -0.04 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1pgr s ARG 44 CO 0.03 -0.96 0.00 0.45 0.02 0.00 0.00 175.30 174.85 1pgr n SER 45 N -0.65 0.00 -2.29 0.23 2.88 -0.72 0.09 113.62 113.17 1pgr n SER 45 Ca 0.08 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.51 1pgr n SER 45 Cb 0.44 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 1pgr n SER 45 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pgr n ARG 46 N 0.00 0.25 -1.62 -1.46 1.74 -1.26 -4.18 116.66 110.12 1pgr n ARG 46 Ca 0.00 -1.92 -0.40 0.00 -0.77 0.00 0.00 57.85 54.76 1pgr n ARG 46 Cb 0.00 1.59 0.02 0.00 -1.02 0.00 0.00 32.46 33.06 1pgr n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pgr n ALA 47 N -1.67 0.33 -0.92 7.54 0.00 -1.26 -0.27 120.51 124.26 1pgr n ALA 47 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1pgr n ALA 47 Cb 0.35 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1pgr n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pgr n ASP 48 N 0.07 -3.47 -3.33 0.00 8.00 -1.26 -4.12 116.55 112.43 1pgr n ASP 48 Ca 0.10 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.36 1pgr n ASP 48 Cb 0.42 -2.06 -0.05 0.00 -0.02 0.00 0.00 41.12 39.41 1pgr n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pgr h GLN 50 N -0.53 0.00 -6.24 0.00 1.08 -1.77 -3.47 115.11 104.18 1pgr h GLN 50 Ca -0.36 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.28 1pgr h GLN 50 Cb 0.82 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.22 1pgr h GLN 50 CO 0.51 0.42 0.75 -0.47 -0.95 0.00 0.00 178.83 179.09 1pgr s TYR 51 N -2.83 3.16 -1.00 2.96 5.04 -1.26 -4.99 117.35 118.42 1pgr s TYR 51 Ca -0.02 1.24 -0.19 0.00 -2.44 0.00 0.00 57.07 55.66 1pgr s TYR 51 Cb 0.08 -3.40 0.12 0.00 0.35 0.00 0.00 41.96 39.12 1pgr s TYR 51 CO 0.81 -1.19 1.26 -0.65 -1.34 0.00 0.00 175.55 174.44 1pgr s GLN 52 N 2.64 3.68 0.00 4.97 -1.52 -1.26 -4.23 119.66 123.94 1pgr s GLN 52 Ca 0.53 -1.76 0.00 0.00 -1.95 0.00 0.00 55.36 52.18 1pgr s GLN 52 Cb -0.22 -5.05 0.00 0.00 -0.22 0.00 0.00 33.01 27.52 1pgr s GLN 52 CO 0.18 -1.88 0.00 0.41 -0.25 0.00 0.00 175.29 173.75 1pgr n GLY 53 N 5.57 -0.35 3.73 3.09 0.00 0.11 -4.99 105.19 112.35 1pgr n GLY 53 Ca 0.29 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1pgr n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pgr n ASP 54 N -1.62 2.98 -4.77 1.61 8.00 -1.25 -4.29 116.55 117.20 1pgr n ASP 54 Ca 0.00 1.14 -0.38 0.00 0.71 0.00 0.00 54.79 56.26 1pgr n ASP 54 Cb 0.00 -1.55 -0.02 0.00 -0.02 0.00 0.00 41.12 39.54 1pgr n ASP 54 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pgr s THR 55 N -1.17 3.14 -0.10 -3.53 2.01 -1.26 0.77 115.64 115.50 1pgr s THR 55 Ca 0.59 0.93 -0.01 0.00 0.31 0.00 0.00 61.69 63.51 1pgr s THR 55 Cb -0.49 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1pgr s THR 55 CO 0.59 0.06 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.90 1pgr s ILE 56 N -1.45 3.82 0.11 1.82 1.01 -0.60 -4.80 121.20 121.10 1pgr s ILE 56 Ca 0.59 -0.42 -0.36 0.00 0.00 0.00 0.00 60.65 60.46 1pgr s ILE 56 Cb -0.30 -2.60 -0.17 0.00 0.01 0.00 0.00 42.46 39.40 1pgr s ILE 56 CO 0.37 0.57 1.27 -2.65 0.00 0.00 0.00 174.94 174.50 1pgr n PRO 57 N 2.64 1.08 -0.99 2.79 -0.02 -1.26 -4.33 135.00 134.91 1pgr n PRO 57 Ca -0.18 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.35 1pgr n PRO 57 Cb 0.53 -1.98 0.11 0.00 -0.02 0.00 0.00 33.50 32.14 1pgr n PRO 57 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pgr n ASP 58 N 2.32 -0.85 -3.75 2.55 8.00 -1.26 -4.85 116.55 118.71 1pgr n ASP 58 Ca 0.18 0.47 -0.28 0.00 0.71 0.00 0.00 54.79 55.87 1pgr n ASP 58 Cb 0.20 -1.31 -0.16 0.00 -0.02 0.00 0.00 41.12 39.83 1pgr n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pgr s VAL 60 N 1.79 5.16 0.47 0.00 -7.23 -1.26 0.18 120.40 119.50 1pgr s VAL 60 Ca 0.00 0.97 -0.22 0.00 -1.81 0.00 0.00 61.98 60.92 1pgr s VAL 60 Cb -0.17 -3.83 -0.07 0.00 0.56 0.00 0.00 36.38 32.86 1pgr s VAL 60 CO -0.11 0.27 1.14 0.00 -0.31 0.00 0.00 175.10 176.09 1pgr s ALA 61 N 0.97 2.94 0.70 1.32 0.00 -0.87 -5.00 121.76 121.83 1pgr s ALA 61 Ca 0.26 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 1pgr s ALA 61 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1pgr s ALA 61 CO 0.10 -0.59 1.06 0.15 0.00 0.00 0.00 175.76 176.48 1pgr s LYS 62 N -2.80 2.89 0.49 0.00 -0.14 -1.26 -4.79 119.74 114.13 1pgr s LYS 62 Ca 0.64 0.90 -0.24 0.00 -1.36 0.00 0.00 55.97 55.92 1pgr s LYS 62 Cb -0.26 -1.99 -0.07 0.00 -1.68 0.00 0.00 37.83 33.83 1pgr s LYS 62 CO 0.31 -1.12 1.36 0.36 -0.76 0.00 0.00 175.35 175.51 1pgr n LYS 63 N -3.13 1.92 -0.84 1.68 2.85 -1.26 -1.81 118.16 117.57 1pgr n LYS 63 Ca 0.07 0.69 0.00 0.00 -1.05 0.00 0.00 58.31 58.03 1pgr n LYS 63 Cb 0.54 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.37 1pgr n LYS 63 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1pgr n ARG 64 N -0.52 -0.37 -3.75 -1.58 0.00 -1.26 -4.95 116.66 104.22 1pgr n ARG 64 Ca 0.08 0.09 -0.37 0.00 -0.00 0.00 0.00 57.85 57.65 1pgr n ARG 64 Cb 0.43 -3.71 -0.13 0.00 -0.00 0.00 0.00 32.46 29.05 1pgr n ARG 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1pgr s GLN 65 N -0.70 3.28 -0.65 2.89 -1.52 -0.75 -4.96 119.66 117.25 1pgr s GLN 65 Ca 0.00 -0.73 -0.02 0.00 -1.95 0.00 0.00 55.36 52.66 1pgr s GLN 65 Cb 0.00 -3.36 0.33 0.00 -0.22 0.00 0.00 33.01 29.76 1pgr s GLN 65 CO 0.00 -0.36 2.14 0.09 -0.25 0.00 0.00 175.29 176.90 1pgr n ASN 66 N 4.89 7.31 -3.46 5.90 3.02 -1.26 -4.54 115.26 127.13 1pgr n ASN 66 Ca -0.15 -3.62 -0.12 0.00 -0.03 0.00 0.00 54.58 50.66 1pgr n ASN 66 Cb 0.49 -1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 38.59 1pgr n ASN 66 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1pgr s ASN 67 N -1.00 -0.54 -0.06 6.41 2.20 -1.26 -1.26 114.94 119.44 1pgr s ASN 67 Ca 0.55 -0.05 -0.24 0.00 -0.94 0.00 0.00 52.86 52.18 1pgr s ASN 67 Cb 0.43 0.61 0.05 0.00 -2.00 0.00 0.00 41.25 40.34 1pgr s ASN 67 CO -0.17 -1.00 0.53 0.00 -2.94 0.00 0.00 177.10 173.52 1pgr s SER 69 N -1.07 2.63 -0.24 0.00 1.04 -1.26 -1.40 113.70 113.39 1pgr s SER 69 Ca -0.11 -0.61 -0.06 0.00 0.48 0.00 0.00 55.95 55.65 1pgr s SER 69 Cb -0.02 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.90 1pgr s SER 69 CO 0.07 0.13 0.02 -0.63 0.98 0.00 0.00 173.24 173.81 1pgr s ILE 70 N -0.97 3.83 0.51 -1.02 1.01 -0.10 -4.96 121.20 119.51 1pgr s ILE 70 Ca 0.08 -0.40 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 1pgr s ILE 70 Cb -0.09 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.51 1pgr s ILE 70 CO 0.03 0.34 1.17 -2.16 0.00 0.00 0.00 174.94 174.32 1pgr s PRO 71 N 1.54 3.48 0.43 2.79 0.04 -1.26 -1.14 135.00 140.87 1pgr s PRO 71 Ca 0.05 1.74 0.22 0.00 0.04 0.00 0.00 61.00 63.06 1pgr s PRO 71 Cb -0.15 -2.19 1.20 0.00 0.04 0.00 0.00 34.50 33.40 1pgr s PRO 71 CO 0.00 -0.78 1.78 -0.09 0.04 0.00 0.00 177.00 177.95 1pgr h ARG 72 N 1.55 0.30 0.00 4.56 1.12 -1.84 0.42 114.38 120.49 1pgr h ARG 72 Ca -0.50 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.35 1pgr h ARG 72 Cb 1.26 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1pgr h ARG 72 CO 0.58 0.20 -0.01 1.57 -3.11 0.00 0.00 179.97 179.20 1pgr h LYS 73 N 0.31 0.00 0.00 0.20 2.10 -1.91 -1.49 116.57 115.77 1pgr h LYS 73 Ca 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 1pgr h LYS 73 Cb 1.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.99 1pgr h LYS 73 CO -0.24 0.01 -1.20 0.09 -2.00 0.00 0.00 179.45 176.11 1pgr n ASN 74 N -3.43 0.61 -4.89 7.07 4.13 0.15 -4.97 115.26 113.92 1pgr n ASN 74 Ca -0.03 -0.43 -0.31 0.00 1.68 0.00 0.00 54.58 55.50 1pgr n ASN 74 Cb 0.10 1.09 -0.05 0.00 -1.54 0.00 0.00 39.78 39.38 1pgr n ASN 74 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1pgr s LEU 75 N -3.72 4.21 -0.37 3.41 1.43 -0.56 -4.92 118.68 118.15 1pgr s LEU 75 Ca 0.03 0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1pgr s LEU 75 Cb 0.15 -3.47 0.10 0.00 0.03 0.00 0.00 46.19 43.00 1pgr s LEU 75 CO 0.84 -0.03 0.13 -0.22 0.23 0.00 0.00 176.35 177.31 1pgr s LEU 76 N -2.84 4.93 0.54 1.79 2.96 -1.26 -4.97 118.68 119.83 1pgr s LEU 76 Ca 0.44 -1.98 -0.19 0.00 -0.22 0.00 0.00 54.13 52.17 1pgr s LEU 76 Cb -0.12 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.76 1pgr s LEU 76 CO 0.24 -0.46 1.11 -0.76 -1.32 0.00 0.00 176.35 175.16 1pgr s LEU 77 N 1.08 3.75 -0.94 -0.68 1.43 -1.26 -3.94 118.68 118.12 1pgr s LEU 77 Ca 0.07 2.11 -0.02 0.00 -1.03 0.00 0.00 54.13 55.27 1pgr s LEU 77 Cb -0.21 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.43 1pgr s LEU 77 CO -0.05 -1.14 0.20 -1.22 0.23 0.00 0.00 176.35 174.37 1pgr n TYR 78 N -1.28 -0.88 -3.73 0.29 4.01 -1.26 -5.03 117.16 109.26 1pgr n TYR 78 Ca 0.11 0.17 -0.11 0.00 -0.16 0.00 0.00 57.90 57.91 1pgr n TYR 78 Cb 0.51 -2.87 -0.07 0.00 -0.31 0.00 0.00 39.34 36.60 1pgr n TYR 78 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1pgr s GLN 79 N -4.94 0.85 0.61 -0.72 2.00 -1.25 -5.10 119.66 111.11 1pgr s GLN 79 Ca 0.10 -0.52 -0.10 0.00 -2.00 0.00 0.00 55.36 52.83 1pgr s GLN 79 Cb -0.04 0.37 -0.04 0.00 0.80 0.00 0.00 33.01 34.10 1pgr s GLN 79 CO 0.12 -0.28 1.01 0.71 -0.50 0.00 0.00 175.29 176.35 1pgr s TYR 80 N -2.72 3.62 -0.05 1.67 1.51 -1.26 -4.17 117.35 115.95 1pgr s TYR 80 Ca -0.04 1.24 -0.16 0.00 -1.01 0.00 0.00 57.07 57.10 1pgr s TYR 80 Cb -0.00 -2.68 0.03 0.00 -0.11 0.00 0.00 41.96 39.19 1pgr s TYR 80 CO -0.04 -0.66 0.36 0.00 -1.11 0.00 0.00 175.55 174.10 1pgr s MET 81 N -5.14 0.64 -0.17 -0.62 0.23 0.21 -1.75 119.30 112.70 1pgr s MET 81 Ca 0.54 0.04 -0.11 0.00 -1.03 0.00 0.00 55.69 55.12 1pgr s MET 81 Cb -0.11 0.29 -0.05 0.00 -1.53 0.00 0.00 34.83 33.44 1pgr s MET 81 CO 0.53 -0.16 0.20 0.00 -2.03 0.00 0.00 175.02 173.56 1pgr s ALA 82 N -0.92 3.67 -0.01 3.16 0.00 -0.61 -1.03 121.76 126.02 1pgr s ALA 82 Ca -0.10 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1pgr s ALA 82 Cb -0.04 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 1pgr s ALA 82 CO 0.04 0.18 -0.12 0.42 0.00 0.00 0.00 175.76 176.28 1pgr s ILE 83 N 0.26 0.92 0.16 0.00 1.01 -0.12 -1.58 121.20 121.83 1pgr s ILE 83 Ca 0.12 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 60.09 1pgr s ILE 83 Cb -0.12 -0.77 0.04 0.00 0.01 0.00 0.00 42.46 41.62 1pgr s ILE 83 CO 0.01 0.25 0.48 -1.66 0.00 0.00 0.00 174.94 174.03 1pgr s TRP 84 N -0.29 -0.23 -0.05 3.97 -2.14 -0.20 0.01 118.94 120.02 1pgr s TRP 84 Ca 0.04 -0.08 0.03 0.00 2.66 0.00 0.00 56.10 58.76 1pgr s TRP 84 Cb -0.05 0.36 -0.03 0.00 -3.10 0.00 0.00 33.47 30.66 1pgr s TRP 84 CO -0.00 -0.81 -0.13 0.08 -2.66 0.00 0.00 176.95 173.43 1pgr s VAL 85 N -3.82 3.20 -0.12 -0.66 1.01 -1.26 -0.79 120.40 117.96 1pgr s VAL 85 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1pgr s VAL 85 Cb 0.00 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1pgr s VAL 85 CO -0.09 0.57 -0.19 -1.10 0.00 0.00 0.00 175.10 174.30 1pgr s GLN 86 N -0.81 2.61 0.12 2.72 -0.21 -0.66 -0.69 119.66 122.74 1pgr s GLN 86 Ca 0.12 -0.71 0.06 0.00 0.02 0.00 0.00 55.36 54.85 1pgr s GLN 86 Cb -0.11 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 1pgr s GLN 86 CO 0.01 -0.03 0.01 0.00 -2.12 0.00 0.00 175.29 173.16 1pgr s ALA 87 N 0.88 3.28 -0.29 6.09 0.00 -0.69 -0.95 121.76 130.08 1pgr s ALA 87 Ca -0.07 -1.20 -0.23 0.00 0.00 0.00 0.00 51.96 50.45 1pgr s ALA 87 Cb -0.15 -1.14 0.14 0.00 0.00 0.00 0.00 23.12 21.97 1pgr s ALA 87 CO -0.01 0.62 1.09 -2.00 0.00 0.00 0.00 175.76 175.46 1pgr s GLU 88 N -2.57 0.40 0.32 0.00 2.12 -0.39 -1.27 118.70 117.31 1pgr s GLU 88 Ca 0.27 0.51 0.03 0.00 0.36 0.00 0.00 54.97 56.14 1pgr s GLU 88 Cb -0.11 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 1pgr s GLU 88 CO 0.19 -0.05 0.32 0.54 -0.54 0.00 0.00 175.26 175.71 1pgr s ASN 89 N 0.43 1.28 0.57 -1.70 6.03 0.93 -0.90 114.94 121.57 1pgr s ASN 89 Ca 0.01 -1.63 0.32 0.00 -1.03 0.00 0.00 52.86 50.53 1pgr s ASN 89 Cb -0.05 0.57 1.42 0.00 -3.03 0.00 0.00 41.25 40.16 1pgr s ASN 89 CO -0.09 -1.10 1.77 0.00 -2.03 0.00 0.00 177.10 175.64 1pgr h MET 90 N 2.18 0.00 -0.28 3.55 -0.00 -1.96 0.10 114.93 118.52 1pgr h MET 90 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.43 1pgr h MET 90 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 1pgr h MET 90 CO 0.39 0.00 0.00 1.28 -0.00 0.00 0.00 176.91 178.58 1pgr n LEU 91 N -3.84 2.66 0.00 -0.10 4.32 -1.26 -5.05 117.00 113.73 1pgr n LEU 91 Ca 0.17 -1.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.04 1pgr n LEU 91 Cb 1.03 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.64 1pgr n LEU 91 CO 0.32 0.56 0.00 0.61 -1.22 0.00 0.00 177.39 177.67 1pgr n GLY 92 N 1.34 -0.10 3.53 -0.72 0.00 0.36 -4.57 105.19 105.02 1pgr n GLY 92 Ca 0.18 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 1pgr n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pgr s SER 93 N -4.00 -0.46 0.30 1.61 1.04 -1.26 -0.05 113.70 110.89 1pgr s SER 93 Ca 0.00 0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.79 1pgr s SER 93 Cb 0.00 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1pgr s SER 93 CO 0.00 -0.55 0.28 -0.94 0.98 0.00 0.00 173.24 173.01 1pgr s SER 94 N -1.68 1.20 0.02 7.02 1.04 -0.40 -4.90 113.70 116.00 1pgr s SER 94 Ca -0.02 -1.62 -0.10 0.00 0.48 0.00 0.00 55.95 54.69 1pgr s SER 94 Cb -0.01 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1pgr s SER 94 CO -0.01 -1.05 0.21 -1.61 0.98 0.00 0.00 173.24 171.76 1pgr s GLU 95 N -3.56 0.63 0.52 4.02 2.02 -1.26 -1.71 118.70 119.37 1pgr s GLU 95 Ca 0.39 -0.47 -0.05 0.00 0.02 0.00 0.00 54.97 54.86 1pgr s GLU 95 Cb 0.03 0.27 -0.01 0.00 0.10 0.00 0.00 34.13 34.52 1pgr s GLU 95 CO 0.23 -0.18 0.82 -1.54 0.02 0.00 0.00 175.26 174.61 1pgr s SER 96 N -1.73 5.89 0.97 -0.19 1.04 0.13 -4.43 113.70 115.38 1pgr s SER 96 Ca -0.10 0.72 -0.12 0.00 0.48 0.00 0.00 55.95 56.94 1pgr s SER 96 Cb -0.04 -1.88 0.17 0.00 0.10 0.00 0.00 66.02 64.37 1pgr s SER 96 CO -0.01 -0.82 1.09 -2.84 0.98 0.00 0.00 173.24 171.65 1pgr s PRO 97 N -4.82 0.66 0.11 4.02 0.02 -1.26 -4.53 135.00 129.20 1pgr s PRO 97 Ca 0.50 0.94 -0.27 0.00 0.02 0.00 0.00 61.00 62.20 1pgr s PRO 97 Cb -0.10 -1.73 -0.06 0.00 0.02 0.00 0.00 34.50 32.62 1pgr s PRO 97 CO 0.44 -2.68 0.83 0.15 -0.33 0.00 0.00 177.00 175.40 1pgr s LYS 98 N -4.77 4.59 -0.15 5.54 1.02 -1.26 -4.62 119.74 120.09 1pgr s LYS 98 Ca 0.65 1.21 -0.08 0.00 0.02 0.00 0.00 55.97 57.78 1pgr s LYS 98 Cb -0.20 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1pgr s LYS 98 CO 0.59 0.36 0.12 -1.17 -0.92 0.00 0.00 175.35 174.33 1pgr s LEU 99 N -0.40 4.24 -0.34 3.17 2.96 0.10 -4.90 118.68 123.50 1pgr s LEU 99 Ca 0.40 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.63 1pgr s LEU 99 Cb -0.22 -2.05 0.07 0.00 0.50 0.00 0.00 46.19 44.49 1pgr s LEU 99 CO 0.26 0.31 0.08 0.00 -1.32 0.00 0.00 176.35 175.68 1pgr s LEU 101 N 1.20 1.60 -0.27 0.00 0.05 -0.20 -4.88 118.68 116.18 1pgr s LEU 101 Ca 0.01 -1.16 -0.06 0.00 0.05 0.00 0.00 54.13 52.96 1pgr s LEU 101 Cb -0.21 0.45 -0.00 0.00 -2.05 0.00 0.00 46.19 44.39 1pgr s LEU 101 CO -0.02 -0.76 0.05 -0.62 -0.55 0.00 0.00 176.35 174.44 1pgr s ASP 102 N -3.04 4.94 0.50 1.48 -1.08 -1.26 0.63 116.67 118.84 1pgr s ASP 102 Ca 0.24 -0.54 0.35 0.00 -0.52 0.00 0.00 52.55 52.07 1pgr s ASP 102 Cb 0.07 -1.86 1.49 0.00 -1.46 0.00 0.00 42.92 41.16 1pgr s ASP 102 CO 0.02 -0.12 1.70 1.55 0.52 0.00 0.00 175.17 178.84 1pgr h PRO 103 N 8.20 0.09 0.00 4.34 0.13 -1.86 0.21 132.00 143.11 1pgr h PRO 103 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1pgr h PRO 103 Cb 1.14 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1pgr h PRO 103 CO 0.60 0.06 0.00 -1.33 -0.23 0.00 0.00 178.00 177.09 1pgr n MET 104 N -4.33 0.81 0.00 0.86 2.81 -1.26 -2.35 117.12 113.66 1pgr n MET 104 Ca 0.33 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.32 1pgr n MET 104 Cb 1.40 -1.34 -0.04 0.00 -0.71 0.00 0.00 33.22 32.53 1pgr n MET 104 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1pgr n ASP 105 N -0.84 1.69 -3.93 7.83 8.00 0.75 -4.89 116.55 125.16 1pgr n ASP 105 Ca 0.13 -1.35 -0.30 0.00 0.71 0.00 0.00 54.79 53.98 1pgr n ASP 105 Cb 0.06 0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 41.64 1pgr n ASP 105 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1pgr s VAL 106 N -2.59 1.54 -0.20 2.53 -7.23 -0.99 -3.88 120.40 109.57 1pgr s VAL 106 Ca 0.15 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1pgr s VAL 106 Cb 0.17 -1.85 0.10 0.00 0.56 0.00 0.00 36.38 35.36 1pgr s VAL 106 CO 0.65 -0.18 0.28 -0.75 -0.31 0.00 0.00 175.10 174.79 1pgr s LYS 108 N 1.37 0.23 0.17 4.82 2.20 -0.19 -0.56 119.74 127.79 1pgr s LYS 108 Ca -0.04 0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 55.93 1pgr s LYS 108 Cb -0.19 -0.77 -0.06 0.00 -1.51 0.00 0.00 37.83 35.31 1pgr s LYS 108 CO -0.08 -0.58 0.42 -0.51 -0.36 0.00 0.00 175.35 174.24 1pgr s LEU 109 N 2.41 4.23 0.10 5.43 1.43 -1.26 -4.58 118.68 126.44 1pgr s LEU 109 Ca 0.08 0.66 0.08 0.00 -1.03 0.00 0.00 54.13 53.91 1pgr s LEU 109 Cb -0.15 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1pgr s LEU 109 CO -0.13 0.01 -0.14 -1.61 0.23 0.00 0.00 176.35 174.71 1pgr s GLU 110 N -2.76 1.98 0.72 1.70 2.02 -1.26 -4.25 118.70 116.84 1pgr s GLU 110 Ca 0.42 -1.08 -0.16 0.00 0.02 0.00 0.00 54.97 54.17 1pgr s GLU 110 Cb -0.12 -2.21 -0.06 0.00 0.10 0.00 0.00 34.13 31.84 1pgr s GLU 110 CO 0.24 0.50 0.40 -2.30 0.02 0.00 0.00 175.26 174.12 1pgr n PRO 111 N 0.85 0.25 -1.54 0.39 -0.02 -1.25 -4.43 135.00 129.25 1pgr n PRO 111 Ca -0.15 0.12 -0.32 0.00 -2.02 0.00 0.00 63.50 61.14 1pgr n PRO 111 Cb 0.52 -1.71 0.06 0.00 -0.02 0.00 0.00 33.50 32.36 1pgr n PRO 111 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1pgr s PRO 112 N -2.55 2.68 -0.70 0.52 0.04 -1.26 -4.15 135.00 129.57 1pgr s PRO 112 Ca 0.63 1.16 -0.23 0.00 0.04 0.00 0.00 61.00 62.60 1pgr s PRO 112 Cb -0.35 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.30 1pgr s PRO 112 CO 0.60 -1.32 1.04 -1.64 0.04 0.00 0.00 177.00 175.72 1pgr s MET 113 N -4.68 3.17 -0.25 4.56 -1.94 0.28 -4.80 119.30 115.65 1pgr s MET 113 Ca 0.62 -0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 53.66 1pgr s MET 113 Cb -0.17 -4.30 -0.05 0.00 2.01 0.00 0.00 34.83 32.32 1pgr s MET 113 CO 0.50 -1.87 0.22 -1.17 -0.01 0.00 0.00 175.02 172.69 1pgr s LEU 114 N 4.24 4.09 0.06 -0.03 2.96 -1.26 -1.57 118.68 127.17 1pgr s LEU 114 Ca 0.25 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1pgr s LEU 114 Cb -0.14 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1pgr s LEU 114 CO 0.09 -0.00 -0.09 0.00 -1.32 0.00 0.00 176.35 175.03 1pgr s GLN 115 N 1.34 0.65 0.81 1.98 -2.07 0.57 -4.99 119.66 117.95 1pgr s GLN 115 Ca 0.10 -0.91 -0.10 0.00 -1.82 0.00 0.00 55.36 52.63 1pgr s GLN 115 Cb -0.14 -0.38 0.12 0.00 -1.09 0.00 0.00 33.01 31.51 1pgr s GLN 115 CO 0.07 0.06 1.14 0.00 -1.32 0.00 0.00 175.29 175.24 1pgr s ALA 116 N -1.80 2.84 -0.06 2.60 0.00 -1.26 -0.50 121.76 123.58 1pgr s ALA 116 Ca -0.04 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 1pgr s ALA 116 Cb -0.07 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.43 1pgr s ALA 116 CO -0.00 -1.76 0.28 -0.51 0.00 0.00 0.00 175.76 173.78 1pgr s LEU 117 N -5.50 0.95 -1.09 0.00 1.43 -1.02 -4.76 118.68 108.69 1pgr s LEU 117 Ca 0.66 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.96 1pgr s LEU 117 Cb -0.08 1.08 0.28 0.00 0.03 0.00 0.00 46.19 47.50 1pgr s LEU 117 CO 0.48 -0.29 1.18 -0.67 0.23 0.00 0.00 176.35 177.29 1pgr n ASP 118 N 2.02 5.65 0.12 2.29 4.64 -1.26 -4.42 116.55 125.59 1pgr n ASP 118 Ca -0.18 -3.14 -0.24 0.00 -1.38 0.00 0.00 54.79 49.85 1pgr n ASP 118 Cb 0.57 -1.32 -0.15 0.00 -1.04 0.00 0.00 41.12 39.17 1pgr n ASP 118 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1pgr h ILE 119 N 3.61 1.30 -3.32 5.18 1.08 -1.97 -3.50 117.51 119.89 1pgr h ILE 119 Ca 0.18 -2.60 0.35 0.00 -0.39 0.00 0.00 64.86 62.40 1pgr h ILE 119 Cb 0.80 2.93 -0.17 0.00 -3.07 0.00 0.00 36.82 37.32 1pgr h ILE 119 CO 1.08 0.78 -1.07 0.61 -0.69 0.00 0.00 178.15 178.86 1pgr n GLY 120 N 1.59 -3.04 0.92 5.37 0.00 -1.26 -4.61 105.19 104.16 1pgr n GLY 120 Ca -0.16 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 44.87 1pgr n GLY 120 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pgr n PRO 121 N -4.25 2.40 -0.20 1.61 -0.02 -1.26 -5.07 135.00 128.21 1pgr n PRO 121 Ca -0.07 -2.13 0.00 0.00 -2.02 0.00 0.00 63.50 59.28 1pgr n PRO 121 Cb 0.66 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 1pgr n PRO 121 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pgr n ASP 122 N 1.06 0.00 0.00 2.55 9.92 -1.26 -5.21 116.55 123.61 1pgr n ASP 122 Ca 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1pgr n ASP 122 Cb 0.50 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 1pgr n ASP 122 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1pgr n GLN 127 N -2.00 0.00 -3.17 -1.24 7.27 -1.26 -5.24 117.38 111.74 1pgr n GLN 127 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 1pgr n GLN 127 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 1pgr n GLN 127 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1pgr s PRO 128 N -1.33 4.04 -0.27 3.69 0.04 -1.26 -4.47 135.00 135.43 1pgr s PRO 128 Ca 0.00 0.66 -0.01 0.00 0.04 0.00 0.00 61.00 61.70 1pgr s PRO 128 Cb 0.00 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1pgr s PRO 128 CO 0.00 0.26 0.08 0.41 0.04 0.00 0.00 177.00 177.78 1pgr n GLY 129 N 0.02 0.41 3.58 0.56 0.00 -0.82 -4.33 105.19 104.61 1pgr n GLY 129 Ca 0.01 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1pgr n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgr s LEU 131 N -3.39 1.38 -0.05 0.00 1.43 0.10 -1.66 118.68 116.49 1pgr s LEU 131 Ca 0.29 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1pgr s LEU 131 Cb -0.07 0.82 0.00 0.00 0.03 0.00 0.00 46.19 46.97 1pgr s LEU 131 CO 0.17 -0.39 -0.16 0.26 0.23 0.00 0.00 176.35 176.46 1pgr s TRP 132 N -1.37 1.66 0.23 0.29 0.51 -1.26 -1.05 118.94 117.94 1pgr s TRP 132 Ca -0.14 -0.53 0.05 0.00 -2.12 0.00 0.00 56.10 53.35 1pgr s TRP 132 Cb -0.07 -1.14 -0.05 0.00 -0.81 0.00 0.00 33.47 31.40 1pgr s TRP 132 CO 0.02 -0.21 -0.05 -0.51 -0.51 0.00 0.00 176.95 175.69 1pgr s LEU 133 N 0.24 2.36 0.01 2.99 1.43 0.31 -2.44 118.68 123.58 1pgr s LEU 133 Ca -0.08 -1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 51.77 1pgr s LEU 133 Cb -0.13 -0.41 0.01 0.00 0.03 0.00 0.00 46.19 45.68 1pgr s LEU 133 CO 0.03 -0.41 0.20 -0.94 0.23 0.00 0.00 176.35 175.46 1pgr s SER 134 N -3.32 -0.02 -0.01 2.29 1.04 0.34 0.24 113.70 114.26 1pgr s SER 134 Ca 0.26 -0.21 -0.21 0.00 0.48 0.00 0.00 55.95 56.28 1pgr s SER 134 Cb 0.04 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.46 1pgr s SER 134 CO 0.08 -0.46 0.45 -1.66 0.98 0.00 0.00 173.24 172.63 1pgr s TRP 135 N -1.81 -0.35 0.06 5.02 -2.14 -0.55 -0.31 118.94 118.86 1pgr s TRP 135 Ca -0.11 0.52 0.04 0.00 2.66 0.00 0.00 56.10 59.21 1pgr s TRP 135 Cb -0.05 0.22 -0.03 0.00 -3.10 0.00 0.00 33.47 30.52 1pgr s TRP 135 CO 0.00 -0.50 -0.11 0.15 -2.66 0.00 0.00 176.95 173.84 1pgr s LYS 136 N -1.54 0.70 0.80 3.25 1.02 -0.61 -1.31 119.74 122.06 1pgr s LYS 136 Ca -0.11 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 54.86 1pgr s LYS 136 Cb -0.03 -0.55 0.07 0.00 -0.52 0.00 0.00 37.83 36.81 1pgr s LYS 136 CO 0.05 0.11 1.11 -1.25 -0.92 0.00 0.00 175.35 174.45 1pgr s PRO 137 N -1.85 2.06 -0.05 -1.68 0.04 -1.14 0.10 135.00 132.48 1pgr s PRO 137 Ca -0.04 0.50 -0.31 0.00 0.04 0.00 0.00 61.00 61.19 1pgr s PRO 137 Cb -0.09 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 1pgr s PRO 137 CO 0.01 -1.60 2.02 1.87 0.04 0.00 0.00 177.00 179.33 1pgr n TRP 138 N -3.40 2.34 -0.34 0.56 -0.00 -1.26 -4.53 117.44 110.81 1pgr n TRP 138 Ca 0.07 -0.24 -0.03 0.00 -0.00 0.00 0.00 57.50 57.30 1pgr n TRP 138 Cb 0.57 -2.75 0.02 0.00 -0.00 0.00 0.00 31.31 29.15 1pgr n TRP 138 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1pgr h LYS 139 N 11.31 -0.04 -0.01 5.87 1.63 -1.93 0.15 116.57 133.55 1pgr h LYS 139 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1pgr h LYS 139 Cb 1.25 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1pgr h LYS 139 CO 0.95 -0.03 0.32 -1.35 -3.45 0.00 0.00 179.45 175.89 1pgr h PRO 140 N -0.04 0.00 -0.34 1.90 0.11 -1.98 -1.53 132.00 130.11 1pgr h PRO 140 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1pgr h PRO 140 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1pgr h PRO 140 CO -0.91 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 175.75 1pgr n SER 141 N -2.92 2.90 0.00 -2.05 3.41 0.51 -4.73 113.62 110.74 1pgr n SER 141 Ca -0.02 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1pgr n SER 141 Cb 0.37 -0.22 0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1pgr n SER 141 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1pgr n GLU 142 N 0.69 0.02 0.04 4.33 0.28 -0.58 -1.80 120.64 123.62 1pgr n GLU 142 Ca 0.12 0.20 0.12 0.00 -0.16 0.00 0.00 57.16 57.45 1pgr n GLU 142 Cb 0.43 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.94 1pgr n GLU 142 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 1pgr n TYR 143 N -1.21 0.41 -3.64 -1.84 4.11 -1.26 -4.82 117.16 108.91 1pgr n TYR 143 Ca 0.01 0.12 -0.36 0.00 -0.00 0.00 0.00 57.90 57.67 1pgr n TYR 143 Cb 0.01 -0.55 -0.07 0.00 -0.00 0.00 0.00 39.34 38.72 1pgr n TYR 143 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pgr s MET 144 N -3.16 4.15 0.24 -3.48 0.23 -0.75 -5.05 119.30 111.48 1pgr s MET 144 Ca 0.06 -0.04 -0.30 0.00 -1.03 0.00 0.00 55.69 54.39 1pgr s MET 144 Cb 0.14 -3.40 -0.09 0.00 -1.53 0.00 0.00 34.83 29.95 1pgr s MET 144 CO 0.74 0.32 1.23 -1.21 -2.03 0.00 0.00 175.02 174.07 1pgr s GLU 145 N 0.25 4.47 0.07 3.16 0.41 -1.26 -4.95 118.70 120.85 1pgr s GLU 145 Ca 0.13 1.98 -0.04 0.00 -0.41 0.00 0.00 54.97 56.63 1pgr s GLU 145 Cb -0.12 -3.18 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 1pgr s GLU 145 CO 0.02 -0.10 0.06 1.14 -0.49 0.00 0.00 175.26 175.90 1pgr s GLN 146 N -0.74 0.74 0.18 1.61 -2.07 -1.26 -1.14 119.66 116.97 1pgr s GLN 146 Ca 0.52 -1.15 0.11 0.00 -1.82 0.00 0.00 55.36 53.01 1pgr s GLN 146 Cb -0.35 0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 31.79 1pgr s GLN 146 CO 0.41 -0.19 -0.25 -1.83 -1.32 0.00 0.00 175.29 172.12 1pgr s GLU 147 N -3.91 1.47 0.20 9.60 -1.05 -0.61 -3.47 118.70 120.92 1pgr s GLU 147 Ca 0.08 -1.47 0.07 0.00 -0.15 0.00 0.00 54.97 53.50 1pgr s GLU 147 Cb 0.07 -1.83 -0.05 0.00 -0.44 0.00 0.00 34.13 31.88 1pgr s GLU 147 CO -0.09 0.41 -0.14 0.00 0.95 0.00 0.00 175.26 176.39 1pgr s GLU 149 N -3.66 2.42 -0.06 0.00 2.02 -0.49 -0.39 118.70 118.54 1pgr s GLU 149 Ca 0.22 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.41 1pgr s GLU 149 Cb -0.00 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 1pgr s GLU 149 CO 0.06 0.51 -0.19 -1.17 0.02 0.00 0.00 175.26 174.49 1pgr s LEU 150 N -0.47 2.45 -0.04 1.80 2.96 -0.28 -1.73 118.68 123.36 1pgr s LEU 150 Ca 0.06 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1pgr s LEU 150 Cb -0.12 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.09 1pgr s LEU 150 CO 0.01 0.28 -0.13 0.00 -1.32 0.00 0.00 176.35 175.19 1pgr s ARG 151 N -0.35 1.51 0.13 1.98 1.70 -0.06 -0.74 118.95 123.12 1pgr s ARG 151 Ca 0.03 -0.46 -0.01 0.00 -0.47 0.00 0.00 55.73 54.82 1pgr s ARG 151 Cb -0.12 -1.31 -0.04 0.00 -0.57 0.00 0.00 34.95 32.90 1pgr s ARG 151 CO 0.02 0.14 0.04 1.52 -1.08 0.00 0.00 175.30 175.95 1pgr s TYR 152 N 0.26 0.87 -0.10 5.89 -0.85 -0.39 -1.51 117.35 121.51 1pgr s TYR 152 Ca -0.07 -1.19 -0.30 0.00 -0.52 0.00 0.00 57.07 54.99 1pgr s TYR 152 Cb -0.12 -0.50 0.10 0.00 0.38 0.00 0.00 41.96 41.83 1pgr s TYR 152 CO 0.02 -0.47 0.87 1.14 -1.52 0.00 0.00 175.55 175.60 1pgr s GLN 153 N -4.02 0.79 0.36 -3.49 -2.07 -1.08 -0.04 119.66 110.10 1pgr s GLN 153 Ca 0.22 0.13 -0.19 0.00 -1.82 0.00 0.00 55.36 53.70 1pgr s GLN 153 Cb 0.07 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 32.26 1pgr s GLN 153 CO 0.01 -0.26 0.85 -1.25 -1.32 0.00 0.00 175.29 173.32 1pgr s PRO 154 N -1.37 4.20 -0.92 9.60 0.04 -1.26 -1.22 135.00 144.07 1pgr s PRO 154 Ca -0.04 0.96 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 1pgr s PRO 154 Cb -0.00 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 32.12 1pgr s PRO 154 CO 0.03 0.12 1.62 -0.65 0.04 0.00 0.00 177.00 178.16 1pgr s GLN 155 N -2.83 3.14 0.00 4.56 -0.21 -0.82 -4.67 119.66 118.83 1pgr s GLN 155 Ca 0.56 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 55.32 1pgr s GLN 155 Cb -0.12 -5.04 0.00 0.00 1.00 0.00 0.00 33.01 28.85 1pgr s GLN 155 CO 0.17 -2.61 0.00 1.28 -2.12 0.00 0.00 175.29 172.01 1pgr n LEU 156 N 10.84 0.00 -4.53 2.90 4.77 -1.26 -4.95 117.00 124.77 1pgr n LEU 156 Ca 0.31 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.87 1pgr n LEU 156 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1pgr n LEU 156 CO 0.65 0.00 1.17 -0.75 -1.33 0.00 0.00 177.39 177.13 1pgr s LYS 157 N -0.23 3.30 -1.38 3.23 2.20 -1.26 -3.92 119.74 121.67 1pgr s LYS 157 Ca 0.00 -0.64 -0.06 0.00 -0.36 0.00 0.00 55.97 54.91 1pgr s LYS 157 Cb 0.00 -4.52 0.03 0.00 -1.51 0.00 0.00 37.83 31.83 1pgr s LYS 157 CO 0.00 -2.09 0.86 0.41 -0.36 0.00 0.00 175.35 174.17 1pgr n GLY 158 N 5.75 -0.39 3.77 5.54 0.00 -1.26 -4.91 105.19 113.69 1pgr n GLY 158 Ca 0.11 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 1pgr n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgr s ALA 159 N -3.49 2.95 0.22 4.61 0.00 -1.25 -5.02 121.76 119.77 1pgr s ALA 159 Ca 0.28 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.25 1pgr s ALA 159 Cb -0.14 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1pgr s ALA 159 CO 0.80 -0.68 0.05 -0.80 0.00 0.00 0.00 175.76 175.14 1pgr s ASN 160 N -1.38 4.93 0.41 0.00 0.01 -1.26 -4.96 114.94 112.68 1pgr s ASN 160 Ca 0.64 -0.41 -0.26 0.00 -0.71 0.00 0.00 52.86 52.12 1pgr s ASN 160 Cb -0.28 -1.09 -0.09 0.00 0.41 0.00 0.00 41.25 40.20 1pgr s ASN 160 CO 0.34 0.03 1.29 0.26 -1.51 0.00 0.00 177.10 177.51 1pgr s TRP 161 N -1.99 2.85 -0.09 2.20 0.23 -1.26 -4.64 118.94 116.23 1pgr s TRP 161 Ca 0.30 1.43 0.01 0.00 -2.03 0.00 0.00 56.10 55.81 1pgr s TRP 161 Cb -0.08 -3.64 -0.02 0.00 0.03 0.00 0.00 33.47 29.76 1pgr s TRP 161 CO 0.21 -2.00 -0.12 0.99 0.96 0.00 0.00 176.95 176.99 1pgr s THR 162 N -1.28 3.19 0.12 2.01 2.01 0.94 -4.91 115.64 117.71 1pgr s THR 162 Ca 0.57 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 62.00 1pgr s THR 162 Cb -0.37 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1pgr s THR 162 CO 0.48 0.56 -0.11 -0.76 -0.69 0.00 0.00 174.62 174.09 1pgr s LEU 163 N -0.19 2.97 -0.17 4.42 1.02 -1.26 -1.26 118.68 124.21 1pgr s LEU 163 Ca 0.01 -0.44 -0.01 0.00 0.02 0.00 0.00 54.13 53.70 1pgr s LEU 163 Cb -0.13 -1.76 0.05 0.00 0.02 0.00 0.00 46.19 44.36 1pgr s LEU 163 CO 0.03 0.17 -0.02 -0.69 0.02 0.00 0.00 176.35 175.86 1pgr s VAL 164 N -1.25 0.87 0.38 -1.59 1.01 0.08 -4.99 120.40 114.91 1pgr s VAL 164 Ca 0.21 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1pgr s VAL 164 Cb -0.11 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1pgr s VAL 164 CO 0.13 -0.00 0.49 -0.36 0.00 0.00 0.00 175.10 175.37 1pgr s PHE 165 N 1.72 2.91 -1.42 5.22 0.08 -1.26 -1.13 117.98 124.10 1pgr s PHE 165 Ca -0.00 -0.34 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 1pgr s PHE 165 Cb -0.16 -2.18 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 1pgr s PHE 165 CO -0.07 -0.21 0.54 0.72 -0.10 0.00 0.00 175.22 176.10 1pgr n HIS 166 N -1.71 -1.75 -3.06 0.36 8.25 -1.19 -4.97 115.22 111.15 1pgr n HIS 166 Ca 0.04 0.78 -0.29 0.00 -0.26 0.00 0.00 57.72 57.99 1pgr n HIS 166 Cb 0.59 -3.82 -0.03 0.00 1.12 0.00 0.00 29.99 27.85 1pgr n HIS 166 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pgr s LEU 167 N -6.96 3.93 0.75 2.41 1.43 0.48 -4.83 118.68 115.89 1pgr s LEU 167 Ca 0.11 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 1pgr s LEU 167 Cb -0.06 -3.80 0.04 0.00 0.03 0.00 0.00 46.19 42.41 1pgr s LEU 167 CO 0.87 -0.31 1.08 -2.16 0.23 0.00 0.00 176.35 176.06 1pgr s PRO 168 N -3.74 2.47 0.09 1.29 0.04 -1.26 -0.40 135.00 133.50 1pgr s PRO 168 Ca 0.48 1.12 0.24 0.00 0.04 0.00 0.00 61.00 62.87 1pgr s PRO 168 Cb -0.10 -1.93 0.94 0.00 0.04 0.00 0.00 34.50 33.45 1pgr s PRO 168 CO 0.31 -1.47 1.74 -1.13 0.04 0.00 0.00 177.00 176.48 1pgr n SER 169 N -3.37 0.31 -3.87 6.66 3.41 -1.23 -4.38 113.62 111.15 1pgr n SER 169 Ca 0.09 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 59.13 1pgr n SER 169 Cb 0.53 -0.62 -0.13 0.00 -0.26 0.00 0.00 64.21 63.73 1pgr n SER 169 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pgr s SER 170 N -3.57 -0.01 -0.23 4.04 0.01 -1.26 -2.88 113.70 109.79 1pgr s SER 170 Ca 0.10 0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.29 1pgr s SER 170 Cb 0.13 0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.59 1pgr s SER 170 CO 0.45 -0.08 0.49 -0.75 0.41 0.00 0.00 173.24 173.75 1pgr s LYS 171 N -0.28 0.40 0.16 12.44 2.47 -0.42 -4.96 119.74 129.55 1pgr s LYS 171 Ca -0.03 1.14 -0.04 0.00 -1.56 0.00 0.00 55.97 55.48 1pgr s LYS 171 Cb -0.02 0.46 0.00 0.00 -1.46 0.00 0.00 37.83 36.81 1pgr s LYS 171 CO 0.00 -0.23 1.40 -0.44 0.16 0.00 0.00 175.35 176.24 1pgr h ASP 172 N 8.05 0.60 -3.12 1.43 3.32 -1.87 -1.46 116.42 123.36 1pgr h ASP 172 Ca -0.18 -0.39 -0.14 0.00 0.02 0.00 0.00 57.03 56.34 1pgr h ASP 172 Cb 1.11 -0.18 -0.28 0.00 0.22 0.00 0.00 39.33 40.21 1pgr h ASP 172 CO 0.12 1.15 -0.37 -1.58 -1.72 0.00 0.00 179.24 176.84 1pgr s GLN 173 N -3.65 0.32 -0.14 3.56 0.74 -1.25 -4.47 119.66 114.77 1pgr s GLN 173 Ca -0.07 0.76 -0.02 0.00 0.05 0.00 0.00 55.36 56.08 1pgr s GLN 173 Cb 0.10 0.00 0.05 0.00 1.10 0.00 0.00 33.01 34.26 1pgr s GLN 173 CO 0.86 -0.18 0.02 0.12 -0.55 0.00 0.00 175.29 175.56 1pgr s PHE 174 N 1.62 0.80 0.02 1.67 5.36 0.14 -4.92 117.98 122.67 1pgr s PHE 174 Ca -0.08 -0.50 -0.23 0.00 -0.96 0.00 0.00 56.93 55.17 1pgr s PHE 174 Cb -0.10 -0.90 -0.05 0.00 -0.34 0.00 0.00 43.02 41.63 1pgr s PHE 174 CO -0.12 -0.47 0.67 -2.00 -1.46 0.00 0.00 175.22 171.84 1pgr s GLU 175 N 1.93 4.40 -0.16 10.12 2.12 -1.26 -0.53 118.70 135.32 1pgr s GLU 175 Ca 0.02 0.89 -0.03 0.00 0.36 0.00 0.00 54.97 56.21 1pgr s GLU 175 Cb -0.15 -3.35 0.05 0.00 0.26 0.00 0.00 34.13 30.95 1pgr s GLU 175 CO -0.07 0.34 0.04 -1.17 -0.54 0.00 0.00 175.26 173.86 1pgr s LEU 176 N -0.18 0.89 0.45 2.70 2.96 -0.22 -5.00 118.68 120.29 1pgr s LEU 176 Ca 0.34 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1pgr s LEU 176 Cb -0.19 -0.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 1pgr s LEU 176 CO 0.20 -0.28 0.04 0.00 -1.32 0.00 0.00 176.35 174.98 1pgr n GLY 178 N -1.08 0.57 3.47 0.00 0.00 0.80 -4.91 105.19 104.03 1pgr n GLY 178 Ca -0.12 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 1pgr n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pgr s LEU 179 N -0.55 4.58 -0.01 0.99 1.43 0.47 -4.78 118.68 120.81 1pgr s LEU 179 Ca 0.00 -1.62 0.09 0.00 -1.03 0.00 0.00 54.13 51.57 1pgr s LEU 179 Cb 0.00 -2.44 -0.12 0.00 0.03 0.00 0.00 46.19 43.66 1pgr s LEU 179 CO 0.00 -1.26 0.28 1.41 0.23 0.00 0.00 176.35 177.01 1pgr n HIS 180 N 7.31 0.00 0.46 0.29 8.25 -1.26 -4.40 115.22 125.87 1pgr n HIS 180 Ca 0.17 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.68 1pgr n HIS 180 Cb 0.48 -0.12 0.24 0.00 1.12 0.00 0.00 29.99 31.71 1pgr n HIS 180 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1pgr n GLN 181 N -1.56 0.16 -3.61 -0.41 6.02 -1.26 -4.84 117.38 111.88 1pgr n GLN 181 Ca -0.00 0.16 -0.02 0.00 -0.01 0.00 0.00 57.00 57.12 1pgr n GLN 181 Cb 0.19 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 1pgr n GLN 181 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pgr s ALA 182 N -2.45 -2.07 -0.61 -1.58 0.00 -1.26 -4.90 121.76 108.89 1pgr s ALA 182 Ca 0.10 1.01 0.25 0.00 0.00 0.00 0.00 51.96 53.31 1pgr s ALA 182 Cb 0.06 0.22 0.58 0.00 0.00 0.00 0.00 23.12 23.98 1pgr s ALA 182 CO 0.13 -0.84 1.65 -1.00 0.00 0.00 0.00 175.76 175.70 1pgr h PRO 183 N 2.00 0.00 -3.97 0.00 0.13 -1.92 -3.45 132.00 124.79 1pgr h PRO 183 Ca -0.21 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.59 1pgr h PRO 183 Cb 1.20 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 1pgr h PRO 183 CO 0.26 0.00 -0.75 0.08 -0.23 0.00 0.00 178.00 177.36 1pgr s VAL 184 N -3.15 0.28 0.30 1.56 1.01 -1.26 -3.80 120.40 115.34 1pgr s VAL 184 Ca 0.09 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.11 1pgr s VAL 184 Cb 0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 1pgr s VAL 184 CO 0.64 0.13 -0.10 -0.31 0.00 0.00 0.00 175.10 175.45 1pgr s TYR 185 N 0.48 2.43 -0.19 5.22 1.51 0.37 -1.95 117.35 125.21 1pgr s TYR 185 Ca -0.05 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1pgr s TYR 185 Cb -0.08 -1.20 0.03 0.00 -0.11 0.00 0.00 41.96 40.60 1pgr s TYR 185 CO -0.01 0.63 -0.17 0.99 -1.11 0.00 0.00 175.55 175.88 1pgr s THR 186 N -2.50 1.99 0.07 -0.71 2.01 -0.35 -0.93 115.64 115.22 1pgr s THR 186 Ca 0.32 -1.03 0.07 0.00 0.31 0.00 0.00 61.69 61.36 1pgr s THR 186 Cb -0.03 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1pgr s THR 186 CO 0.17 0.41 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.62 1pgr s LEU 187 N 1.29 2.91 -0.02 4.42 1.02 -0.52 -2.64 118.68 125.13 1pgr s LEU 187 Ca 0.02 -0.38 -0.13 0.00 0.02 0.00 0.00 54.13 53.66 1pgr s LEU 187 Cb -0.14 -1.71 0.02 0.00 0.02 0.00 0.00 46.19 44.37 1pgr s LEU 187 CO -0.11 0.21 0.29 -1.10 0.02 0.00 0.00 176.35 175.66 1pgr s GLN 188 N -1.87 0.61 0.04 1.70 -0.21 -0.57 -1.20 119.66 118.16 1pgr s GLN 188 Ca 0.18 -0.16 0.02 0.00 0.02 0.00 0.00 55.36 55.42 1pgr s GLN 188 Cb -0.11 0.27 -0.02 0.00 1.00 0.00 0.00 33.01 34.15 1pgr s GLN 188 CO 0.10 -0.16 -0.07 1.41 -2.12 0.00 0.00 175.29 174.45 1pgr s MET 189 N -1.19 0.49 0.04 2.91 1.75 -1.26 -0.88 119.30 121.16 1pgr s MET 189 Ca -0.12 -0.71 -0.02 0.00 -1.25 0.00 0.00 55.69 53.58 1pgr s MET 189 Cb -0.05 -0.24 -0.03 0.00 2.84 0.00 0.00 34.83 37.35 1pgr s MET 189 CO 0.04 0.04 0.00 -0.98 -0.65 0.00 0.00 175.02 173.46 1pgr s ARG 190 N -1.50 0.54 0.17 4.11 1.70 -0.71 -0.60 118.95 122.67 1pgr s ARG 190 Ca -0.10 -0.98 0.04 0.00 -0.47 0.00 0.00 55.73 54.21 1pgr s ARG 190 Cb -0.10 0.20 -0.05 0.00 -0.57 0.00 0.00 34.95 34.43 1pgr s ARG 190 CO 0.00 -0.11 -0.06 0.00 -1.08 0.00 0.00 175.30 174.05 1pgr s ILE 192 N -3.40 0.09 0.20 0.00 2.07 -0.43 -0.99 121.20 118.73 1pgr s ILE 192 Ca 0.21 -0.72 -0.32 0.00 -1.41 0.00 0.00 60.65 58.41 1pgr s ILE 192 Cb 0.04 -0.54 -0.11 0.00 0.13 0.00 0.00 42.46 41.98 1pgr s ILE 192 CO 0.03 -0.39 1.70 -0.60 -1.91 0.00 0.00 174.94 173.77 1pgr s ARG 193 N -1.59 4.14 -0.08 3.50 3.52 -1.26 -1.57 118.95 125.60 1pgr s ARG 193 Ca -0.13 2.56 -0.26 0.00 -0.13 0.00 0.00 55.73 57.77 1pgr s ARG 193 Cb -0.06 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 1pgr s ARG 193 CO 0.01 -0.73 0.83 0.45 -0.81 0.00 0.00 175.30 175.05 1pgr s SER 194 N 1.27 7.09 0.00 -2.12 0.15 -0.29 -4.14 113.70 115.66 1pgr s SER 194 Ca 0.74 1.33 0.00 0.00 0.70 0.00 0.00 55.95 58.72 1pgr s SER 194 Cb -0.48 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 1pgr s SER 194 CO 0.32 -0.26 0.00 -1.20 1.20 0.00 0.00 173.24 173.30 1pgr n SER 195 N 4.33 0.00 -4.23 5.45 7.64 -1.26 -4.88 113.62 120.67 1pgr n SER 195 Ca 0.03 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 1pgr n SER 195 Cb 0.50 -1.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 1pgr n SER 195 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1pgr s LEU 196 N 0.00 2.16 0.28 -3.43 1.43 -1.26 -5.11 118.68 112.75 1pgr s LEU 196 Ca 0.00 -1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 51.65 1pgr s LEU 196 Cb 0.00 -0.07 -0.13 0.00 0.03 0.00 0.00 46.19 46.03 1pgr s LEU 196 CO 0.00 -0.55 1.41 -2.65 0.23 0.00 0.00 176.35 174.79 1pgr n PRO 197 N -0.22 2.19 0.00 1.29 -0.02 -1.26 -4.76 135.00 132.22 1pgr n PRO 197 Ca -0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1pgr n PRO 197 Cb 0.63 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1pgr n PRO 197 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pgr n GLY 198 N 1.78 0.89 3.80 -1.23 0.00 -1.25 -4.54 105.19 104.63 1pgr n GLY 198 Ca 0.09 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1pgr n GLY 198 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pgr s PHE 199 N -2.00 3.11 0.58 1.61 0.08 -1.26 -4.78 117.98 115.31 1pgr s PHE 199 Ca 0.00 -0.06 -0.19 0.00 0.12 0.00 0.00 56.93 56.79 1pgr s PHE 199 Cb 0.00 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 1pgr s PHE 199 CO 0.00 0.52 1.19 -1.58 -0.10 0.00 0.00 175.22 175.25 1pgr s TRP 200 N -1.91 2.46 0.74 0.36 0.52 -1.26 -4.55 118.94 115.30 1pgr s TRP 200 Ca 0.31 1.52 -0.07 0.00 0.02 0.00 0.00 56.10 57.88 1pgr s TRP 200 Cb -0.09 -3.44 0.09 0.00 -1.15 0.00 0.00 33.47 28.87 1pgr s TRP 200 CO 0.24 -2.07 1.06 -1.54 0.02 0.00 0.00 176.95 174.66 1pgr s SER 201 N -1.61 4.54 0.78 2.95 1.04 -0.17 -4.88 113.70 116.36 1pgr s SER 201 Ca 0.76 0.37 -0.11 0.00 0.48 0.00 0.00 55.95 57.45 1pgr s SER 201 Cb -0.29 -0.91 0.06 0.00 0.10 0.00 0.00 66.02 64.97 1pgr s SER 201 CO 0.32 -1.78 1.09 -2.16 0.98 0.00 0.00 173.24 171.69 1pgr s PRO 202 N -5.33 2.26 0.31 4.02 0.04 -1.26 -4.65 135.00 130.39 1pgr s PRO 202 Ca 0.62 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 1pgr s PRO 202 Cb -0.09 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 1pgr s PRO 202 CO 0.46 -1.50 1.22 -1.58 0.04 0.00 0.00 177.00 175.64 1pgr s TRP 203 N -3.17 3.27 0.79 0.56 0.52 -1.26 -3.96 118.94 115.68 1pgr s TRP 203 Ca 0.60 1.54 -0.14 0.00 0.02 0.00 0.00 56.10 58.12 1pgr s TRP 203 Cb -0.14 -3.51 0.07 0.00 -1.15 0.00 0.00 33.47 28.74 1pgr s TRP 203 CO 0.54 -1.30 1.20 -1.54 0.02 0.00 0.00 176.95 175.87 1pgr s SER 204 N -0.66 3.75 0.30 2.95 1.04 0.23 -4.89 113.70 116.42 1pgr s SER 204 Ca 0.47 2.35 -0.29 0.00 0.48 0.00 0.00 55.95 58.96 1pgr s SER 204 Cb -0.36 -2.59 -0.11 0.00 0.10 0.00 0.00 66.02 63.06 1pgr s SER 204 CO 0.48 -2.56 1.48 -2.16 0.98 0.00 0.00 173.24 171.45 1pgr s PRO 205 N -4.10 4.20 0.19 4.02 0.04 -1.26 -4.52 135.00 133.57 1pgr s PRO 205 Ca 0.73 2.43 -0.33 0.00 0.04 0.00 0.00 61.00 63.88 1pgr s PRO 205 Cb -0.29 -3.05 -0.13 0.00 0.04 0.00 0.00 34.50 31.08 1pgr s PRO 205 CO 0.49 -0.47 1.62 0.41 0.04 0.00 0.00 177.00 179.09 1pgr n GLY 206 N 1.58 1.27 3.86 0.56 0.00 -1.26 -4.87 105.19 106.32 1pgr n GLY 206 Ca 0.05 0.62 -0.33 0.00 0.00 0.00 0.00 46.02 46.36 1pgr n GLY 206 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pgr s LEU 207 N 0.90 4.20 -0.29 0.99 1.43 -0.34 -4.89 118.68 120.69 1pgr s LEU 207 Ca 0.76 1.04 0.02 0.00 -1.03 0.00 0.00 54.13 54.92 1pgr s LEU 207 Cb -0.61 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.03 1pgr s LEU 207 CO 0.37 -0.05 -0.05 -1.10 0.23 0.00 0.00 176.35 175.75 1pgr s GLN 208 N -2.60 2.16 0.19 1.70 -1.52 -1.26 -1.44 119.66 116.89 1pgr s GLN 208 Ca 0.46 -1.43 0.11 0.00 -1.95 0.00 0.00 55.36 52.55 1pgr s GLN 208 Cb -0.12 -3.03 -0.04 0.00 -0.22 0.00 0.00 33.01 29.60 1pgr s GLN 208 CO 0.20 -0.66 -0.23 -0.51 -0.25 0.00 0.00 175.29 173.85 1pgr s LEU 209 N 1.11 2.44 -0.24 2.90 1.43 -0.10 -4.91 118.68 121.29 1pgr s LEU 209 Ca -0.05 -0.87 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 1pgr s LEU 209 Cb -0.20 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1pgr s LEU 209 CO -0.05 0.09 0.04 -0.13 0.23 0.00 0.00 176.35 176.53 1pgr s ARG 210 N -2.70 3.53 1.24 1.70 0.52 -1.26 -0.48 118.95 121.50 1pgr s ARG 210 Ca 0.20 -0.55 -0.19 0.00 -0.52 0.00 0.00 55.73 54.67 1pgr s ARG 210 Cb -0.07 -3.23 0.30 0.00 0.52 0.00 0.00 34.95 32.46 1pgr s ARG 210 CO 0.09 -0.21 1.06 -2.14 0.02 0.00 0.00 175.30 174.12 1pgr s PRO 211 N 1.57 -1.49 0.57 3.54 0.02 -1.25 -4.89 135.00 133.06 1pgr s PRO 211 Ca 0.06 0.09 -0.19 0.00 0.02 0.00 0.00 61.00 60.97 1pgr s PRO 211 Cb -0.15 -1.55 -0.05 0.00 0.02 0.00 0.00 34.50 32.77 1pgr s PRO 211 CO 0.01 -3.92 1.18 0.99 -0.33 0.00 0.00 177.00 174.94 1pgr s THR 212 N -2.79 2.82 0.00 0.99 2.01 -0.67 -4.79 115.64 113.21 1pgr s THR 212 Ca 0.70 0.51 0.00 0.00 0.31 0.00 0.00 61.69 63.21 1pgr s THR 212 Cb -0.12 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1pgr s THR 212 CO 0.57 -0.11 0.00 0.80 -0.69 0.00 0.00 174.62 175.20