#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw s PHE -8 N 0.00 3.23 -0.33 3.69 5.36 -1.26 -5.01 117.98 123.65 3gpw s PHE -8 Ca 0.00 1.21 -0.09 0.00 -0.96 0.00 0.00 56.93 57.09 3gpw s PHE -8 Cb 0.00 -3.44 0.01 0.00 -0.34 0.00 0.00 43.02 39.26 3gpw s PHE -8 CO 0.00 -1.38 0.15 1.21 -1.46 0.00 0.00 175.22 173.74 3gpw s ASN -7 N 1.40 5.52 0.00 6.13 3.04 -1.26 -4.97 114.94 124.81 3gpw s ASN -7 Ca 0.57 -0.78 0.15 0.00 0.04 0.00 0.00 52.86 52.84 3gpw s ASN -7 Cb -0.26 -1.98 0.70 0.00 -1.54 0.00 0.00 41.25 38.17 3gpw s ASN -7 CO 0.24 -0.27 1.42 -0.81 -3.04 0.00 0.00 177.10 174.64 3gpw n PRO -6 N 4.95 0.15 -4.34 0.43 -0.04 -1.26 -4.81 135.00 130.08 3gpw n PRO -6 Ca -0.13 0.18 -0.24 0.00 -0.04 0.00 0.00 63.50 63.26 3gpw n PRO -6 Cb 0.47 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 3gpw n PRO -6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gpw s TYR -5 N -2.70 2.58 0.24 0.54 1.51 -1.26 -5.08 117.35 113.18 3gpw s TYR -5 Ca 0.12 -0.25 -0.11 0.00 -1.01 0.00 0.00 57.07 55.82 3gpw s TYR -5 Cb 0.10 -1.17 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 3gpw s TYR -5 CO 0.23 0.61 0.43 0.20 -1.11 0.00 0.00 175.55 175.91 3gpw s GLY -4 N -3.36 0.67 -0.17 0.71 0.00 -1.26 -5.15 107.32 98.76 3gpw s GLY -4 Ca 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 44.01 3gpw s GLY -4 CO 0.17 -0.74 -0.10 -0.35 0.00 0.00 0.00 173.10 172.09 3gpw s ASP -3 N -3.04 2.98 0.00 1.64 3.68 -1.26 -4.19 116.67 116.48 3gpw s ASP -3 Ca 0.25 -0.69 0.17 0.00 2.13 0.00 0.00 52.55 54.41 3gpw s ASP -3 Cb 0.00 -1.10 0.49 0.00 -1.45 0.00 0.00 42.92 40.86 3gpw s ASP -3 CO 0.10 -0.13 1.41 0.59 0.13 0.00 0.00 175.17 177.26 3gpw n ASN -2 N 4.78 2.95 0.00 -0.34 4.13 -0.81 -4.47 115.26 121.50 3gpw n ASN -2 Ca -0.14 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.12 3gpw n ASN -2 Cb 0.48 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 3gpw n ASN -2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gpw n GLY -1 N 1.38 1.69 0.34 7.41 0.00 -1.26 -1.58 105.19 113.17 3gpw n GLY -1 Ca 0.18 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.60 3gpw n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpw n GLY 1 N 0.00 -2.82 3.10 -0.02 0.00 -1.25 -4.32 105.19 99.88 3gpw n GLY 1 Ca 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 3gpw n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gpw s THR 2 N -3.35 0.01 0.07 2.61 2.01 -1.26 -1.29 115.64 114.44 3gpw s THR 2 Ca 0.00 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 61.99 3gpw s THR 2 Cb 0.00 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 3gpw s THR 2 CO 0.00 -0.03 -0.12 0.27 -0.69 0.00 0.00 174.62 174.05 3gpw s ILE 3 N -0.01 0.95 -0.02 1.82 -4.36 0.96 -2.17 121.20 118.38 3gpw s ILE 3 Ca -0.01 -1.33 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 3gpw s ILE 3 Cb -0.02 -1.03 0.01 0.00 1.25 0.00 0.00 42.46 42.67 3gpw s ILE 3 CO 0.00 -0.33 -0.03 -0.22 0.24 0.00 0.00 174.94 174.60 3gpw s LEU 4 N -1.86 1.64 -0.10 0.37 2.96 0.10 0.65 118.68 122.45 3gpw s LEU 4 Ca -0.02 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3gpw s LEU 4 Cb -0.09 -0.25 0.02 0.00 0.50 0.00 0.00 46.19 46.37 3gpw s LEU 4 CO 0.01 -0.01 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.09 3gpw s GLY 5 N 0.41 0.88 -0.05 7.98 0.00 -0.02 0.41 107.32 116.92 3gpw s GLY 5 Ca -0.04 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.15 3gpw s GLY 5 CO -0.01 0.45 -0.15 -0.42 0.00 0.00 0.00 173.10 172.97 3gpw s ILE 6 N 1.20 1.28 -0.31 0.90 1.01 -0.43 -0.48 121.20 124.37 3gpw s ILE 6 Ca -0.04 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 3gpw s ILE 6 Cb -0.14 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 3gpw s ILE 6 CO -0.03 0.38 0.23 0.00 0.00 0.00 0.00 174.94 175.52 3gpw s ALA 7 N 0.34 3.52 0.77 9.38 0.00 0.90 -0.64 121.76 136.03 3gpw s ALA 7 Ca -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 3gpw s ALA 7 Cb -0.13 -2.59 0.14 0.00 0.00 0.00 0.00 23.12 20.53 3gpw s ALA 7 CO 0.03 -0.75 1.06 0.20 0.00 0.00 0.00 175.76 176.30 3gpw s GLY 8 N 1.74 1.76 0.22 0.00 0.00 0.34 -4.92 107.32 106.47 3gpw s GLY 8 Ca 0.08 -1.57 -0.08 0.00 0.00 0.00 0.00 44.72 43.15 3gpw s GLY 8 CO 0.11 -0.97 1.85 -2.09 0.00 0.00 0.00 173.10 171.99 3gpw h GLU 9 N -0.76 1.19 0.00 2.90 4.81 -1.91 -2.55 114.58 118.26 3gpw h GLU 9 Ca -0.39 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 58.60 3gpw h GLU 9 Cb 1.26 -0.23 -0.24 0.00 0.63 0.00 0.00 28.75 30.17 3gpw h GLU 9 CO 0.41 0.87 -0.82 -0.40 -0.73 0.00 0.00 179.01 178.34 3gpw n ASP 10 N -4.37 0.80 -3.87 1.04 5.75 -1.26 -2.15 116.55 112.48 3gpw n ASP 10 Ca 0.09 -2.15 -0.09 0.00 -0.01 0.00 0.00 54.79 52.63 3gpw n ASP 10 Cb 0.09 -0.29 -0.04 0.00 -1.03 0.00 0.00 41.12 39.86 3gpw n ASP 10 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3gpw s PHE 11 N -0.29 0.02 -0.15 2.11 -0.12 -1.25 -4.51 117.98 113.79 3gpw s PHE 11 Ca 0.24 -0.41 -0.21 0.00 -0.05 0.00 0.00 56.93 56.51 3gpw s PHE 11 Cb 0.27 0.43 0.05 0.00 -0.63 0.00 0.00 43.02 43.15 3gpw s PHE 11 CO -0.11 -1.05 0.55 0.00 -0.05 0.00 0.00 175.22 174.55 3gpw s ALA 12 N -3.94 -1.37 0.14 1.99 0.00 -0.59 0.13 121.76 118.12 3gpw s ALA 12 Ca 0.14 1.36 0.10 0.00 0.00 0.00 0.00 51.96 53.56 3gpw s ALA 12 Cb -0.03 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3gpw s ALA 12 CO 0.05 -0.28 -0.22 0.14 0.00 0.00 0.00 175.76 175.44 3gpw s VAL 13 N -0.19 1.98 -0.15 0.00 -7.23 0.18 -0.32 120.40 114.68 3gpw s VAL 13 Ca -0.04 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.34 3gpw s VAL 13 Cb -0.03 -1.82 0.05 0.00 0.56 0.00 0.00 36.38 35.14 3gpw s VAL 13 CO 0.03 -0.08 0.08 -0.22 -0.31 0.00 0.00 175.10 174.59 3gpw s LEU 14 N -2.22 0.41 0.33 1.32 0.20 -0.61 -1.32 118.68 116.79 3gpw s LEU 14 Ca 0.13 -0.50 0.09 0.00 0.69 0.00 0.00 54.13 54.54 3gpw s LEU 14 Cb -0.09 -0.27 -0.05 0.00 -0.43 0.00 0.00 46.19 45.35 3gpw s LEU 14 CO 0.06 -0.32 -0.02 0.00 -0.29 0.00 0.00 176.35 175.78 3gpw s ALA 15 N 2.11 3.13 -0.25 5.97 0.00 0.17 -1.64 121.76 131.25 3gpw s ALA 15 Ca 0.02 -1.96 -0.27 0.00 0.00 0.00 0.00 51.96 49.76 3gpw s ALA 15 Cb -0.15 -0.34 0.13 0.00 0.00 0.00 0.00 23.12 22.76 3gpw s ALA 15 CO -0.08 0.10 1.08 0.20 0.00 0.00 0.00 175.76 177.06 3gpw s GLY 16 N -3.68 -0.12 0.98 0.00 0.00 -0.89 0.03 107.32 103.63 3gpw s GLY 16 Ca 0.34 2.59 -0.12 0.00 0.00 0.00 0.00 44.72 47.53 3gpw s GLY 16 CO 0.19 1.58 1.08 0.51 0.00 0.00 0.00 173.10 176.46 3gpw s ASP 17 N -0.24 2.69 -0.13 1.64 3.84 -0.92 -2.04 116.67 121.51 3gpw s ASP 17 Ca 0.02 1.55 0.15 0.00 -0.00 0.00 0.00 52.55 54.27 3gpw s ASP 17 Cb -0.03 -2.22 0.46 0.00 -1.38 0.00 0.00 42.92 39.75 3gpw s ASP 17 CO -0.05 -3.14 1.37 0.35 -0.00 0.00 0.00 175.17 173.70 3gpw n THR 18 N -4.22 1.94 -3.23 2.11 -2.24 0.96 -4.72 114.28 104.88 3gpw n THR 18 Ca 0.06 -1.65 -0.39 0.00 -2.27 0.00 0.00 64.05 59.81 3gpw n THR 18 Cb 0.55 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 3gpw n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gpw s ARG 19 N -2.34 4.29 -0.14 -0.78 3.52 -1.25 -1.82 118.95 120.42 3gpw s ARG 19 Ca 0.37 0.71 0.01 0.00 -0.13 0.00 0.00 55.73 56.68 3gpw s ARG 19 Cb 0.28 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.36 3gpw s ARG 19 CO 0.10 0.40 -0.17 1.21 -0.81 0.00 0.00 175.30 176.04 3gpw s ASN 20 N -0.29 2.78 0.34 -2.12 3.84 -0.58 -4.26 114.94 114.64 3gpw s ASN 20 Ca 0.30 -0.52 0.06 0.00 0.21 0.00 0.00 52.86 52.91 3gpw s ASN 20 Cb -0.18 -1.25 -0.07 0.00 -0.55 0.00 0.00 41.25 39.20 3gpw s ASN 20 CO 0.17 -0.01 0.00 0.27 -2.79 0.00 0.00 177.10 174.74 3gpw s ILE 21 N 1.25 1.62 -0.22 -5.21 -5.25 -0.62 0.22 121.20 112.99 3gpw s ILE 21 Ca 0.01 -2.05 -0.04 0.00 -0.99 0.00 0.00 60.65 57.58 3gpw s ILE 21 Cb -0.14 -2.74 0.10 0.00 2.95 0.00 0.00 42.46 42.63 3gpw s ILE 21 CO -0.08 -0.10 0.22 -0.89 -1.79 0.00 0.00 174.94 172.30 3gpw s THR 22 N -3.00 -0.32 0.00 8.37 2.01 -0.56 -4.00 115.64 118.14 3gpw s THR 22 Ca 0.34 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.15 3gpw s THR 22 Cb 0.07 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.85 3gpw s THR 22 CO 0.15 -0.26 0.00 0.47 -0.69 0.00 0.00 174.62 174.29 3gpw n ASP 23 N 5.31 0.00 -1.20 3.53 10.43 -1.26 -1.17 116.55 132.19 3gpw n ASP 23 Ca -0.05 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.42 3gpw n ASP 23 Cb 0.49 0.00 0.26 0.00 1.84 0.00 0.00 41.12 43.71 3gpw n ASP 23 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3gpw n TYR 24 N 12.37 0.74 -4.10 1.24 0.53 -1.26 -4.96 117.16 121.71 3gpw n TYR 24 Ca 0.00 -0.40 -0.29 0.00 -1.02 0.00 0.00 57.90 56.19 3gpw n TYR 24 Cb 0.00 -0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.24 3gpw n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 3gpw s SER 25 N -1.18 5.23 -0.23 7.72 0.01 -0.32 -5.10 113.70 119.84 3gpw s SER 25 Ca 0.42 -0.14 -0.10 0.00 1.31 0.00 0.00 55.95 57.44 3gpw s SER 25 Cb 0.23 -1.30 -0.05 0.00 0.21 0.00 0.00 66.02 65.11 3gpw s SER 25 CO 0.31 0.15 0.16 -0.63 0.41 0.00 0.00 173.24 173.63 3gpw s ILE 26 N -1.45 5.37 -0.06 1.44 1.01 -1.26 -1.50 121.20 124.75 3gpw s ILE 26 Ca 0.28 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 61.10 3gpw s ILE 26 Cb -0.11 -3.50 -0.27 0.00 0.01 0.00 0.00 42.46 38.59 3gpw s ILE 26 CO 0.20 0.37 0.60 0.78 0.00 0.00 0.00 174.94 176.90 3gpw h ASN 27 N 7.24 0.37 -4.19 3.58 2.35 -0.56 -3.48 115.58 120.88 3gpw h ASN 27 Ca -0.39 -0.67 -0.06 0.00 -0.55 0.00 0.00 56.30 54.64 3gpw h ASN 27 Cb 1.16 -0.12 -0.21 0.00 0.05 0.00 0.00 38.32 39.20 3gpw h ASN 27 CO 0.69 1.58 0.09 -0.55 -1.65 0.00 0.00 177.43 177.59 3gpw s SER 28 N -6.89 -0.68 0.08 5.81 0.15 -1.10 -5.00 113.70 106.06 3gpw s SER 28 Ca -0.14 1.21 0.24 0.00 0.70 0.00 0.00 55.95 57.96 3gpw s SER 28 Cb 0.07 1.20 0.36 0.00 -1.71 0.00 0.00 66.02 65.94 3gpw s SER 28 CO 0.82 -0.31 1.31 0.54 1.20 0.00 0.00 173.24 176.80 3gpw n ARG 29 N 2.36 0.21 -3.46 5.44 1.74 -1.26 -1.52 116.66 120.16 3gpw n ARG 29 Ca -0.15 0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.74 3gpw n ARG 29 Cb 0.56 -1.62 -0.12 0.00 -1.02 0.00 0.00 32.46 30.26 3gpw n ARG 29 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3gpw s TYR 30 N -3.13 0.03 -0.34 -1.55 5.04 -1.12 -4.12 117.35 112.17 3gpw s TYR 30 Ca 0.07 -0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 53.97 3gpw s TYR 30 Cb 0.15 -0.69 0.13 0.00 0.35 0.00 0.00 41.96 41.90 3gpw s TYR 30 CO 0.72 -0.88 0.21 -2.00 -1.34 0.00 0.00 175.55 172.26 3gpw s GLU 31 N 1.98 0.47 0.22 4.97 2.56 -0.75 -5.05 118.70 123.10 3gpw s GLU 31 Ca 0.11 -1.12 -0.27 0.00 0.00 0.00 0.00 54.97 53.69 3gpw s GLU 31 Cb -0.16 -1.22 -0.17 0.00 2.00 0.00 0.00 34.13 34.58 3gpw s GLU 31 CO -0.27 -1.17 0.49 -2.30 -0.56 0.00 0.00 175.26 171.45 3gpw n PRO 32 N 4.32 0.02 0.00 4.30 -0.02 -1.26 -4.77 135.00 137.59 3gpw n PRO 32 Ca 0.08 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3gpw n PRO 32 Cb 0.39 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 3gpw n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3gpw n LYS 33 N 1.03 2.79 -4.22 -0.52 4.81 -1.26 -5.01 118.16 115.78 3gpw n LYS 33 Ca 0.17 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.27 3gpw n LYS 33 Cb 0.27 -0.23 -0.14 0.00 0.02 0.00 0.00 35.03 34.94 3gpw n LYS 33 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3gpw s VAL 34 N -0.42 3.08 0.14 3.15 1.01 -1.26 -4.32 120.40 121.77 3gpw s VAL 34 Ca 0.00 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.48 3gpw s VAL 34 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3gpw s VAL 34 CO 0.00 0.47 -0.26 -0.36 0.00 0.00 0.00 175.10 174.95 3gpw s PHE 35 N 1.08 2.30 -0.36 5.22 0.08 0.13 -4.95 117.98 121.49 3gpw s PHE 35 Ca 0.00 -0.38 -0.22 0.00 0.12 0.00 0.00 56.93 56.46 3gpw s PHE 35 Cb -0.15 -1.23 0.01 0.00 -0.57 0.00 0.00 43.02 41.08 3gpw s PHE 35 CO -0.02 0.36 0.69 0.34 -0.10 0.00 0.00 175.22 176.50 3gpw s ASP 36 N -2.15 6.48 -0.08 1.36 3.68 -1.26 -0.92 116.67 123.77 3gpw s ASP 36 Ca 0.15 0.24 0.19 0.00 2.13 0.00 0.00 52.55 55.26 3gpw s ASP 36 Cb -0.10 -2.35 0.69 0.00 -1.45 0.00 0.00 42.92 39.71 3gpw s ASP 36 CO 0.07 -0.64 1.60 0.00 0.13 0.00 0.00 175.17 176.32 3gpw n GLY 38 N 1.24 -0.55 2.65 0.00 0.00 -1.25 -4.86 105.19 102.41 3gpw n GLY 38 Ca 0.25 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 3gpw n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gpw n ASP 39 N -1.25 -2.71 -3.44 1.61 9.92 -1.26 -1.34 116.55 118.07 3gpw n ASP 39 Ca 0.00 0.19 -0.22 0.00 -0.53 0.00 0.00 54.79 54.23 3gpw n ASP 39 Cb 0.00 -2.35 0.08 0.00 -0.64 0.00 0.00 41.12 38.20 3gpw n ASP 39 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3gpw n ASN 40 N -1.77 -5.90 -4.05 -2.24 4.05 -1.26 -4.84 115.26 99.26 3gpw n ASN 40 Ca -0.07 -0.52 -0.27 0.00 0.45 0.00 0.00 54.58 54.17 3gpw n ASN 40 Cb 0.56 -4.83 -0.17 0.00 1.23 0.00 0.00 39.78 36.56 3gpw n ASN 40 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3gpw s ILE 41 N -3.31 1.39 -0.03 -1.44 1.01 -0.45 -4.41 121.20 113.96 3gpw s ILE 41 Ca 0.52 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.61 3gpw s ILE 41 Cb -0.23 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3gpw s ILE 41 CO 0.70 0.42 -0.11 0.68 0.00 0.00 0.00 174.94 176.62 3gpw s VAL 42 N 0.90 3.33 0.03 2.92 -7.23 -0.57 -0.20 120.40 119.58 3gpw s VAL 42 Ca -0.09 -0.73 -0.04 0.00 -1.81 0.00 0.00 61.98 59.31 3gpw s VAL 42 Cb -0.15 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 3gpw s VAL 42 CO 0.00 0.52 0.06 -0.32 -0.31 0.00 0.00 175.10 175.05 3gpw s MET 43 N -1.00 0.53 -0.16 4.82 0.00 -0.10 -0.32 119.30 123.08 3gpw s MET 43 Ca 0.13 -0.77 -0.10 0.00 0.00 0.00 0.00 55.69 54.95 3gpw s MET 43 Cb -0.11 0.20 0.05 0.00 0.00 0.00 0.00 34.83 34.98 3gpw s MET 43 CO 0.03 -0.12 0.39 0.45 0.00 0.00 0.00 175.02 175.77 3gpw s SER 44 N -2.07 -0.46 -0.40 1.11 0.15 -0.42 -0.69 113.70 110.92 3gpw s SER 44 Ca -0.06 0.83 0.04 0.00 0.70 0.00 0.00 55.95 57.46 3gpw s SER 44 Cb -0.02 0.76 0.11 0.00 -1.71 0.00 0.00 66.02 65.16 3gpw s SER 44 CO -0.04 -0.17 0.12 0.00 1.20 0.00 0.00 173.24 174.35 3gpw s ALA 45 N 0.98 2.96 0.20 5.45 0.00 -1.26 -0.80 121.76 129.29 3gpw s ALA 45 Ca -0.06 -2.74 -0.10 0.00 0.00 0.00 0.00 51.96 49.06 3gpw s ALA 45 Cb -0.07 -2.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.97 3gpw s ALA 45 CO -0.08 -1.80 0.52 1.21 0.00 0.00 0.00 175.76 175.62 3gpw s ASN 46 N 0.54 6.63 0.00 0.00 3.84 -0.40 -4.34 114.94 121.22 3gpw s ASN 46 Ca 0.13 0.90 0.00 0.00 0.21 0.00 0.00 52.86 54.10 3gpw s ASN 46 Cb -0.21 -2.22 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 3gpw s ASN 46 CO -0.06 -0.03 0.00 0.61 -2.79 0.00 0.00 177.10 174.83 3gpw n GLY 47 N 0.04 1.03 3.41 1.21 0.00 -1.26 -0.05 105.19 109.57 3gpw n GLY 47 Ca -0.01 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 3gpw n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gpw s PHE 48 N 0.00 2.99 0.28 1.61 5.36 -0.27 -1.93 117.98 126.02 3gpw s PHE 48 Ca 0.00 -0.74 -0.01 0.00 -0.96 0.00 0.00 56.93 55.22 3gpw s PHE 48 Cb 0.00 -3.85 0.64 0.00 -0.34 0.00 0.00 43.02 39.47 3gpw s PHE 48 CO 0.00 -1.22 1.61 0.00 -1.46 0.00 0.00 175.22 174.15 3gpw h ALA 49 N 9.14 1.08 -0.89 11.12 0.00 -1.88 0.14 119.26 137.97 3gpw h ALA 49 Ca -0.29 0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3gpw h ALA 49 Cb 1.09 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 19.28 3gpw h ALA 49 CO 1.05 -0.50 0.55 0.00 0.00 0.00 0.00 179.25 180.35 3gpw h ALA 50 N 1.84 1.25 -0.17 0.00 0.00 -1.96 0.30 119.26 120.52 3gpw h ALA 50 Ca 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.29 3gpw h ALA 50 Cb 1.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3gpw h ALA 50 CO -0.77 0.25 -0.46 -0.44 0.00 0.00 0.00 179.25 177.83 3gpw h ASP 51 N 0.96 0.71 -0.99 0.00 3.45 -1.17 -2.44 116.42 116.93 3gpw h ASP 51 Ca 0.40 -0.58 0.01 0.00 0.43 0.00 0.00 57.03 57.30 3gpw h ASP 51 Cb 0.25 -0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 38.77 3gpw h ASP 51 CO -0.20 1.16 0.66 1.23 -1.57 0.00 0.00 179.24 180.52 3gpw h GLY 52 N 0.29 1.40 0.85 2.75 0.00 -0.21 -1.06 103.07 107.09 3gpw h GLY 52 Ca -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 3gpw h GLY 52 CO 0.10 0.51 -0.01 -0.55 0.00 0.00 0.00 176.54 176.58 3gpw h ASP 53 N 1.34 0.45 -0.39 0.19 3.45 -0.42 -2.16 116.42 118.89 3gpw h ASP 53 Ca 0.37 -0.32 0.02 0.00 0.43 0.00 0.00 57.03 57.52 3gpw h ASP 53 Cb -0.15 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 38.47 3gpw h ASP 53 CO -0.08 0.67 0.22 0.00 -1.57 0.00 0.00 179.24 178.47 3gpw h ALA 54 N 0.80 0.48 0.31 3.45 0.00 -1.15 -0.28 119.26 122.87 3gpw h ALA 54 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gpw h ALA 54 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gpw h ALA 54 CO 0.02 -0.13 -0.18 1.25 0.00 0.00 0.00 179.25 180.21 3gpw h LEU 55 N 0.44 -0.45 -0.29 0.00 5.85 -1.13 0.25 115.31 119.98 3gpw h LEU 55 Ca 0.16 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.95 3gpw h LEU 55 Cb 0.03 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3gpw h LEU 55 CO -0.08 -0.29 -0.01 0.58 -0.34 0.00 0.00 178.44 178.29 3gpw h VAL 56 N -0.47 0.78 -0.82 1.05 2.07 -1.24 0.24 116.25 117.86 3gpw h VAL 56 Ca -0.03 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3gpw h VAL 56 Cb 0.38 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3gpw h VAL 56 CO 0.04 0.01 0.51 0.50 0.02 0.00 0.00 177.57 178.65 3gpw h LYS 57 N 0.07 0.92 -0.30 1.57 3.64 -0.83 0.67 116.57 122.31 3gpw h LYS 57 Ca 0.14 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 3gpw h LYS 57 Cb 0.19 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3gpw h LYS 57 CO -0.24 0.61 -0.34 -0.09 -2.27 0.00 0.00 179.45 177.12 3gpw h ARG 58 N 0.95 0.65 -0.25 1.90 2.43 0.42 -2.41 114.38 118.07 3gpw h ARG 58 Ca 0.35 -0.30 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 3gpw h ARG 58 Cb 0.13 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3gpw h ARG 58 CO -0.16 0.90 -0.50 0.35 -1.51 0.00 0.00 179.97 179.05 3gpw h PHE 59 N 0.55 0.99 -0.98 2.20 3.57 0.36 -2.06 116.94 121.57 3gpw h PHE 59 Ca 0.06 -0.36 0.02 0.00 3.53 0.00 0.00 57.97 61.22 3gpw h PHE 59 Cb 0.84 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 3gpw h PHE 59 CO 0.04 1.16 0.65 0.87 -2.23 0.00 0.00 178.31 178.80 3gpw h LYS 60 N 0.53 1.26 0.00 1.11 1.57 -0.87 0.72 116.57 120.90 3gpw h LYS 60 Ca 0.01 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3gpw h LYS 60 Cb 1.10 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3gpw h LYS 60 CO 0.11 0.83 -0.30 -0.97 -0.57 0.00 0.00 179.45 178.56 3gpw h ASN 61 N 1.30 0.00 -0.33 0.86 -0.73 -1.30 -1.89 115.58 113.48 3gpw h ASN 61 Ca 0.37 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.38 3gpw h ASN 61 Cb -0.11 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.48 3gpw h ASN 61 CO -0.09 0.30 -0.40 -1.28 -0.37 0.00 0.00 177.43 175.59 3gpw h SER 62 N 0.00 0.92 -0.55 1.15 0.87 -0.18 -2.09 113.55 113.67 3gpw h SER 62 Ca -0.00 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 3gpw h SER 62 Cb 0.67 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 3gpw h SER 62 CO 0.04 1.22 0.29 0.58 -0.53 0.00 0.00 176.83 178.43 3gpw h VAL 63 N 0.64 1.19 -0.02 2.23 2.07 -0.75 0.23 116.25 121.84 3gpw h VAL 63 Ca 0.04 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3gpw h VAL 63 Cb 0.99 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3gpw h VAL 63 CO 0.09 0.21 -0.22 0.50 0.02 0.00 0.00 177.57 178.18 3gpw h LYS 64 N 0.75 -0.32 0.00 1.57 3.64 -1.16 -1.90 116.57 119.15 3gpw h LYS 64 Ca 0.19 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 3gpw h LYS 64 Cb 0.08 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3gpw h LYS 64 CO -0.03 -0.21 -0.38 -1.49 -2.27 0.00 0.00 179.45 175.06 3gpw h TRP 65 N -0.33 0.00 -0.45 1.91 4.06 -1.18 -2.31 115.95 117.65 3gpw h TRP 65 Ca 0.07 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.08 3gpw h TRP 65 Cb 0.43 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.53 3gpw h TRP 65 CO -0.27 0.38 0.13 -0.92 -3.56 0.00 0.00 178.44 174.20 3gpw h TYR 66 N 0.00 0.22 0.25 0.49 3.20 -0.17 0.29 116.97 121.24 3gpw h TYR 66 Ca -0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3gpw h TYR 66 Cb 0.68 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3gpw h TYR 66 CO 0.00 0.05 -0.12 0.45 -1.64 0.00 0.00 178.16 176.90 3gpw h HIS 67 N 0.28 -0.31 -0.83 -3.82 3.86 -1.03 0.67 115.15 113.96 3gpw h HIS 67 Ca 0.22 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.57 3gpw h HIS 67 Cb 0.25 0.10 -0.10 0.00 1.06 0.00 0.00 27.41 28.72 3gpw h HIS 67 CO -0.18 -0.18 0.40 0.74 0.86 0.00 0.00 177.93 179.57 3gpw h PHE 68 N -0.35 0.70 0.00 2.45 0.04 -0.75 -1.42 116.94 117.61 3gpw h PHE 68 Ca -0.03 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3gpw h PHE 68 Cb 0.27 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3gpw h PHE 68 CO -0.06 0.13 -0.64 -0.25 -0.60 0.00 0.00 178.31 176.89 3gpw n ASP 69 N -4.92 0.62 -2.58 2.17 8.00 0.94 -4.42 116.55 116.35 3gpw n ASP 69 Ca 0.17 -0.04 -0.17 0.00 0.71 0.00 0.00 54.79 55.47 3gpw n ASP 69 Cb 0.45 0.28 0.02 0.00 -0.02 0.00 0.00 41.12 41.85 3gpw n ASP 69 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3gpw n HIS 70 N -1.89 2.15 -3.78 1.24 8.25 0.21 -5.00 115.22 116.39 3gpw n HIS 70 Ca 0.04 -2.91 -0.24 0.00 -0.26 0.00 0.00 57.72 54.34 3gpw n HIS 70 Cb 0.41 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3gpw n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gpw n ASN 70 N -0.26 -4.91 -1.84 0.41 4.05 -1.14 -1.12 115.26 110.44 3gpw n ASN 70 Ca 0.22 -0.95 0.00 0.00 0.45 0.00 0.00 54.58 54.30 3gpw n ASN 70 Cb 0.75 -1.78 0.00 0.00 1.23 0.00 0.00 39.78 39.98 3gpw n ASN 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3gpw n ASP 71 N -2.59 -0.59 -4.73 1.20 8.00 -0.57 -4.88 116.55 112.39 3gpw n ASP 71 Ca -0.31 0.29 -0.37 0.00 0.71 0.00 0.00 54.79 55.12 3gpw n ASP 71 Cb 0.69 -0.77 0.06 0.00 -0.02 0.00 0.00 41.12 41.08 3gpw n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3gpw s LYS 72 N -3.65 2.61 0.25 -1.24 2.20 -0.28 -4.95 119.74 114.68 3gpw s LYS 72 Ca 0.00 2.00 -0.26 0.00 -0.36 0.00 0.00 55.97 57.34 3gpw s LYS 72 Cb 0.00 -1.86 -0.09 0.00 -1.51 0.00 0.00 37.83 34.37 3gpw s LYS 72 CO 0.00 -1.54 0.88 0.21 -0.36 0.00 0.00 175.35 174.54 3gpw s LYS 73 N -3.40 4.63 -0.54 4.03 2.20 -1.26 -4.57 119.74 120.82 3gpw s LYS 73 Ca 0.81 1.28 -0.22 0.00 -0.36 0.00 0.00 55.97 57.48 3gpw s LYS 73 Cb -0.36 -3.08 0.05 0.00 -1.51 0.00 0.00 37.83 32.93 3gpw s LYS 73 CO 0.39 0.44 0.84 -1.17 -0.36 0.00 0.00 175.35 175.49 3gpw s LEU 74 N -1.54 4.39 0.44 5.43 2.96 -1.26 -5.02 118.68 124.08 3gpw s LEU 74 Ca 0.43 -0.55 -0.24 0.00 -0.22 0.00 0.00 54.13 53.54 3gpw s LEU 74 Cb -0.22 -2.69 -0.08 0.00 0.50 0.00 0.00 46.19 43.70 3gpw s LEU 74 CO 0.27 -1.12 1.23 -0.94 -1.32 0.00 0.00 176.35 174.47 3gpw s SER 75 N 2.82 6.20 0.54 3.68 1.04 -1.26 -4.78 113.70 121.94 3gpw s SER 75 Ca 0.25 2.48 0.27 0.00 0.48 0.00 0.00 55.95 59.43 3gpw s SER 75 Cb -0.15 -2.62 1.42 0.00 0.10 0.00 0.00 66.02 64.78 3gpw s SER 75 CO 0.17 -0.91 1.97 -0.29 0.98 0.00 0.00 173.24 175.16 3gpw h ILE 76 N 2.13 0.68 -0.04 -1.02 2.10 -1.91 0.29 117.51 119.73 3gpw h ILE 76 Ca -0.49 0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.30 3gpw h ILE 76 Cb 1.25 0.70 -0.01 0.00 -1.09 0.00 0.00 36.82 37.66 3gpw h ILE 76 CO 0.61 0.00 -0.62 -0.55 -1.08 0.00 0.00 178.15 176.51 3gpw h ASN 77 N 0.00 0.15 0.49 2.19 -1.07 -1.91 -1.64 115.58 113.79 3gpw h ASN 77 Ca 0.28 -0.09 -0.25 0.00 0.07 0.00 0.00 56.30 56.31 3gpw h ASN 77 Cb 1.14 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 37.35 3gpw h ASN 77 CO -0.00 0.73 -1.10 0.28 0.07 0.00 0.00 177.43 177.41 3gpw h SER 78 N 0.10 0.47 -0.72 6.14 0.02 -0.87 -2.75 113.55 115.94 3gpw h SER 78 Ca -0.01 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.46 3gpw h SER 78 Cb 1.12 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 3gpw h SER 78 CO 0.09 1.29 0.31 0.00 -1.14 0.00 0.00 176.83 177.38 3gpw h ALA 79 N 0.66 0.94 -0.14 3.77 0.00 -0.92 -1.44 119.26 122.13 3gpw h ALA 79 Ca -0.11 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3gpw h ALA 79 Cb 1.78 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3gpw h ALA 79 CO 0.18 0.54 0.04 0.00 0.00 0.00 0.00 179.25 180.02 3gpw h ALA 80 N 1.15 0.15 -0.39 0.00 0.00 -1.24 0.52 119.26 119.44 3gpw h ALA 80 Ca 0.24 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3gpw h ALA 80 Cb 0.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3gpw h ALA 80 CO -0.02 -0.40 -0.00 -0.09 0.00 0.00 0.00 179.25 178.73 3gpw h ARG 81 N 0.11 0.63 0.26 0.00 9.65 -1.29 -1.60 114.38 122.14 3gpw h ARG 81 Ca 0.06 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3gpw h ARG 81 Cb 0.04 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 3gpw h ARG 81 CO -0.06 0.65 -0.12 -0.97 2.80 0.00 0.00 179.97 182.26 3gpw h ASN 82 N 0.60 -0.29 -0.75 -3.80 -0.00 -0.69 -2.68 115.58 107.95 3gpw h ASN 82 Ca 0.12 -0.05 0.05 0.00 -0.00 0.00 0.00 56.30 56.42 3gpw h ASN 82 Cb 0.38 0.08 -0.04 0.00 -0.00 0.00 0.00 38.32 38.73 3gpw h ASN 82 CO 0.01 -0.14 0.50 0.40 -0.00 0.00 0.00 177.43 178.20 3gpw h ILE 83 N -0.43 1.08 -0.78 2.57 2.04 -0.64 -1.01 117.51 120.34 3gpw h ILE 83 Ca -0.04 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.59 3gpw h ILE 83 Cb 0.33 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 3gpw h ILE 83 CO 0.06 0.16 0.45 -0.61 0.00 0.00 0.00 178.15 178.21 3gpw h GLN 84 N 0.88 0.78 -0.10 2.37 4.15 -0.98 -0.14 115.11 122.07 3gpw h GLN 84 Ca 0.31 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.56 3gpw h GLN 84 Cb 0.12 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3gpw h GLN 84 CO -0.10 0.52 -0.50 0.45 -1.93 0.00 0.00 178.83 177.27 3gpw h HIS 85 N 0.81 0.32 -0.43 3.99 3.86 -0.93 0.78 115.15 123.55 3gpw h HIS 85 Ca 0.35 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 3gpw h HIS 85 Cb 0.24 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 3gpw h HIS 85 CO -0.06 0.71 0.09 -0.07 0.86 0.00 0.00 177.93 179.46 3gpw h LEU 86 N 0.21 0.66 -0.15 2.43 3.38 -0.36 -1.70 115.31 119.77 3gpw h LEU 86 Ca 0.01 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 3gpw h LEU 86 Cb 0.96 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3gpw h LEU 86 CO 0.08 0.73 -0.27 -0.07 0.09 0.00 0.00 178.44 179.00 3gpw h LEU 87 N 0.56 0.51 -1.26 1.67 3.38 -0.92 -3.11 115.31 116.12 3gpw h LEU 87 Ca 0.13 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3gpw h LEU 87 Cb 0.34 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3gpw h LEU 87 CO 0.00 0.95 0.00 0.22 0.09 0.00 0.00 178.44 179.71 3gpw h TYR 88 N 0.08 0.00 0.00 1.13 5.03 -0.80 -1.87 116.97 120.54 3gpw h TYR 88 Ca 0.01 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 3gpw h TYR 88 Cb 0.86 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.13 3gpw h TYR 88 CO 0.10 0.00 -0.12 0.78 -1.32 0.00 0.00 178.16 177.60 3gpw h GLY 89 N 1.73 0.00 -2.93 1.82 0.00 -1.23 -2.01 103.07 100.44 3gpw h GLY 89 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 3gpw h GLY 89 CO 0.00 0.00 -0.03 0.28 0.00 0.00 0.00 176.54 176.79 3gpw n LYS 90 N -3.63 2.41 0.02 4.80 5.02 -0.70 -4.76 118.16 121.32 3gpw n LYS 90 Ca -0.02 -3.42 0.22 0.00 -2.02 0.00 0.00 58.31 53.07 3gpw n LYS 90 Cb 0.24 -2.03 0.73 0.00 -0.02 0.00 0.00 35.03 33.94 3gpw n LYS 90 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3gpw h ARG 91 N 1.44 0.00 -0.34 1.97 9.65 -1.42 0.24 114.38 125.92 3gpw h ARG 91 Ca 0.36 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 3gpw h ARG 91 Cb 1.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.16 3gpw h ARG 91 CO 0.74 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.70 3gpw n PHE 92 N -4.01 1.05 -2.67 2.20 3.72 -1.26 -4.49 117.46 111.99 3gpw n PHE 92 Ca 0.10 -0.78 -0.04 0.00 -0.05 0.00 0.00 57.45 56.68 3gpw n PHE 92 Cb 0.66 -0.29 0.09 0.00 -0.94 0.00 0.00 39.48 39.01 3gpw n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3gpw n PHE 93 N -0.07 -0.77 -1.23 1.38 7.35 -0.48 -5.17 117.46 118.47 3gpw n PHE 93 Ca 0.21 -0.87 -0.35 0.00 -0.76 0.00 0.00 57.45 55.68 3gpw n PHE 93 Cb 0.85 1.19 0.09 0.00 0.35 0.00 0.00 39.48 41.97 3gpw n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3gpw n PRO 94 N 0.94 0.32 -2.72 -7.13 -0.02 0.74 -4.79 135.00 122.33 3gpw n PRO 94 Ca -0.02 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 3gpw n PRO 94 Cb 0.73 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 3gpw n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3gpw s TYR 95 N -1.95 3.12 -1.33 6.00 1.51 -1.26 -4.92 117.35 118.52 3gpw s TYR 95 Ca 0.70 1.00 -0.16 0.00 -1.01 0.00 0.00 57.07 57.60 3gpw s TYR 95 Cb -0.32 -3.66 0.01 0.00 -0.11 0.00 0.00 41.96 37.87 3gpw s TYR 95 CO 0.54 -0.79 2.15 0.98 -1.11 0.00 0.00 175.55 177.32 3gpw n TYR 96 N 6.81 3.29 -3.96 2.71 9.36 -1.26 -4.74 117.16 129.36 3gpw n TYR 96 Ca 0.10 -2.76 -0.08 0.00 3.32 0.00 0.00 57.90 58.48 3gpw n TYR 96 Cb 0.48 -2.41 -0.08 0.00 -0.63 0.00 0.00 39.34 36.69 3gpw n TYR 96 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3gpw s VAL 97 N 3.63 0.18 -0.26 2.97 -7.23 -1.26 -1.11 120.40 117.31 3gpw s VAL 97 Ca 0.49 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 59.18 3gpw s VAL 97 Cb 0.14 -1.43 0.03 0.00 0.56 0.00 0.00 36.38 35.67 3gpw s VAL 97 CO -0.04 -0.80 -0.04 -2.28 -0.31 0.00 0.00 175.10 171.63 3gpw s HIS 98 N -3.89 3.12 -0.01 2.82 2.46 0.93 -3.54 115.29 117.18 3gpw s HIS 98 Ca 0.06 -1.60 0.02 0.00 0.47 0.00 0.00 55.06 54.01 3gpw s HIS 98 Cb 0.06 -2.08 -0.03 0.00 -0.13 0.00 0.00 32.58 30.40 3gpw s HIS 98 CO -0.10 -0.74 -0.03 -0.08 -2.47 0.00 0.00 174.74 171.31 3gpw s THR 99 N 1.32 3.91 -0.01 0.89 -1.32 -1.20 -1.27 115.64 117.96 3gpw s THR 99 Ca -0.01 -0.65 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 3gpw s THR 99 Cb -0.17 -2.71 0.01 0.00 -1.51 0.00 0.00 72.50 68.11 3gpw s THR 99 CO -0.03 0.41 -0.04 -0.63 -2.21 0.00 0.00 174.62 172.12 3gpw s ILE 100 N -1.01 0.35 0.10 5.08 1.01 0.02 0.12 121.20 126.86 3gpw s ILE 100 Ca 0.18 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.77 3gpw s ILE 100 Cb -0.11 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 3gpw s ILE 100 CO 0.08 0.13 -0.20 0.27 0.00 0.00 0.00 174.94 175.22 3gpw s ILE 101 N 0.23 1.62 0.06 2.92 -4.36 -0.17 -1.31 121.20 120.20 3gpw s ILE 101 Ca -0.02 -1.52 0.02 0.00 -0.26 0.00 0.00 60.65 58.87 3gpw s ILE 101 Cb -0.06 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.13 3gpw s ILE 101 CO -0.00 -0.09 -0.08 0.00 0.24 0.00 0.00 174.94 175.01 3gpw s ALA 102 N -1.21 0.73 0.00 2.27 0.00 0.56 -1.24 121.76 122.87 3gpw s ALA 102 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3gpw s ALA 102 Cb -0.10 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3gpw s ALA 102 CO 0.04 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3gpw n GLY 103 N 0.96 -0.71 3.23 0.00 0.00 -0.29 -1.51 105.19 106.86 3gpw n GLY 103 Ca -0.19 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 3gpw n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpw s LEU 104 N 0.00 2.05 0.00 0.99 1.43 -1.26 -0.31 118.68 121.59 3gpw s LEU 104 Ca 0.00 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3gpw s LEU 104 Cb 0.00 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.18 3gpw s LEU 104 CO 0.00 0.25 0.15 -0.90 0.23 0.00 0.00 176.35 176.08 3gpw n ASP 105 N 2.50 -0.36 0.00 2.29 5.68 0.50 -4.46 116.55 122.70 3gpw n ASP 105 Ca -0.15 -0.90 0.10 0.00 -0.50 0.00 0.00 54.79 53.33 3gpw n ASP 105 Cb 0.53 -0.12 0.56 0.00 -1.14 0.00 0.00 41.12 40.94 3gpw n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gpw n GLU 106 N -1.52 0.48 -0.13 0.11 1.02 -1.26 -2.12 120.64 117.22 3gpw n GLU 106 Ca 0.02 0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.26 3gpw n GLU 106 Cb 0.07 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.12 3gpw n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gpw n ASP 10 N -1.12 2.69 0.00 1.62 10.43 -1.26 -4.95 116.55 123.95 3gpw n ASP 10 Ca 0.13 -1.84 0.00 0.00 2.57 0.00 0.00 54.79 55.65 3gpw n ASP 10 Cb 0.11 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 42.89 3gpw n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gpw n GLY 10 N 0.63 0.86 3.80 0.44 0.00 -0.90 -5.04 105.19 104.99 3gpw n GLY 10 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3gpw n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpw s LYS 107 N -0.20 4.25 0.44 1.61 -0.14 -1.26 -4.50 119.74 119.94 3gpw s LYS 107 Ca 0.00 1.24 -0.25 0.00 -1.36 0.00 0.00 55.97 55.60 3gpw s LYS 107 Cb 0.00 -2.35 -0.08 0.00 -1.68 0.00 0.00 37.83 33.72 3gpw s LYS 107 CO 0.00 -0.02 1.34 0.20 -0.76 0.00 0.00 175.35 176.11 3gpw s GLY 108 N -1.96 2.91 -0.10 -3.33 0.00 -0.91 -0.37 107.32 103.56 3gpw s GLY 108 Ca 0.59 1.31 -0.07 0.00 0.00 0.00 0.00 44.72 46.55 3gpw s GLY 108 CO 0.18 1.89 0.25 0.00 0.00 0.00 0.00 173.10 175.41 3gpw s ALA 109 N -1.26 -0.60 -0.02 3.20 0.00 0.58 -4.71 121.76 118.95 3gpw s ALA 109 Ca 0.60 0.81 0.04 0.00 0.00 0.00 0.00 51.96 53.42 3gpw s ALA 109 Cb -0.40 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 3gpw s ALA 109 CO 0.50 -0.15 -0.14 0.08 0.00 0.00 0.00 175.76 176.06 3gpw s VAL 110 N 0.55 1.12 -0.06 0.00 1.01 -1.24 -1.14 120.40 120.64 3gpw s VAL 110 Ca -0.03 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3gpw s VAL 110 Cb -0.05 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.39 3gpw s VAL 110 CO -0.03 0.32 -0.11 -0.31 0.00 0.00 0.00 175.10 174.98 3gpw s TYR 111 N -0.15 1.33 -0.05 5.22 2.02 -0.37 -0.41 117.35 124.95 3gpw s TYR 111 Ca 0.02 -0.48 0.05 0.00 -0.37 0.00 0.00 57.07 56.28 3gpw s TYR 111 Cb -0.07 -1.00 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 3gpw s TYR 111 CO 0.00 -0.27 -0.19 -1.54 -1.57 0.00 0.00 175.55 171.99 3gpw s SER 112 N 0.73 3.66 0.21 2.29 1.04 -1.00 -1.00 113.70 119.63 3gpw s SER 112 Ca -0.13 -0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.07 3gpw s SER 112 Cb -0.15 -0.79 -0.04 0.00 0.10 0.00 0.00 66.02 65.14 3gpw s SER 112 CO 0.03 0.31 -0.06 -0.36 0.98 0.00 0.00 173.24 174.14 3gpw s PHE 113 N -0.53 2.66 0.42 5.02 0.40 0.32 -2.70 117.98 123.57 3gpw s PHE 113 Ca 0.07 -0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.12 3gpw s PHE 113 Cb -0.11 -1.25 -0.05 0.00 0.51 0.00 0.00 43.02 42.12 3gpw s PHE 113 CO 0.01 0.56 0.74 0.34 0.70 0.00 0.00 175.22 177.56 3gpw s ASP 114 N -3.15 6.37 0.53 1.36 3.68 0.99 -3.21 116.67 123.25 3gpw s ASP 114 Ca 0.27 0.94 0.20 0.00 2.13 0.00 0.00 52.55 56.09 3gpw s ASP 114 Cb -0.08 -2.25 1.40 0.00 -1.45 0.00 0.00 42.92 40.55 3gpw s ASP 114 CO 0.17 -0.45 2.15 -0.65 0.13 0.00 0.00 175.17 176.52 3gpw h PRO 115 N 0.78 0.00 -0.50 4.34 0.11 -1.85 -2.64 132.00 132.24 3gpw h PRO 115 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 3gpw h PRO 115 Cb 1.20 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 3gpw h PRO 115 CO 0.63 0.03 0.12 1.33 -0.21 0.00 0.00 178.00 179.90 3gpw n VAL 116 N -4.26 2.65 0.00 3.15 0.24 -1.26 -4.25 118.33 114.60 3gpw n VAL 116 Ca -0.03 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.24 3gpw n VAL 116 Cb 0.12 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 3gpw n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gpw n GLY 117 N -0.59 0.72 3.75 7.63 0.00 -0.99 -3.92 105.19 111.78 3gpw n GLY 117 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 3gpw n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gpw s SER 118 N -1.87 6.66 0.09 1.61 0.15 -1.26 -4.68 113.70 114.39 3gpw s SER 118 Ca 0.00 2.67 -0.07 0.00 0.70 0.00 0.00 55.95 59.25 3gpw s SER 118 Cb 0.00 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 3gpw s SER 118 CO 0.00 -0.69 0.16 -0.72 1.20 0.00 0.00 173.24 173.19 3gpw s TYR 119 N -0.14 0.23 -0.13 3.44 -0.85 -1.26 -0.00 117.35 118.64 3gpw s TYR 119 Ca 0.58 -0.68 -0.21 0.00 -0.52 0.00 0.00 57.07 56.24 3gpw s TYR 119 Cb -0.42 -0.12 0.05 0.00 0.38 0.00 0.00 41.96 41.86 3gpw s TYR 119 CO 0.45 -0.53 0.54 -2.00 -1.52 0.00 0.00 175.55 172.49 3gpw s GLU 120 N -3.88 0.75 0.08 -3.49 2.56 -1.10 -5.02 118.70 108.61 3gpw s GLU 120 Ca 0.06 0.46 -0.25 0.00 0.00 0.00 0.00 54.97 55.24 3gpw s GLU 120 Cb 0.05 0.36 -0.06 0.00 2.00 0.00 0.00 34.13 36.48 3gpw s GLU 120 CO -0.10 -0.16 0.78 0.50 -0.56 0.00 0.00 175.26 175.72 3gpw s ARG 121 N -0.38 4.52 0.19 4.30 3.52 -1.26 -2.38 118.95 127.46 3gpw s ARG 121 Ca -0.05 1.11 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 3gpw s ARG 121 Cb -0.03 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 3gpw s ARG 121 CO 0.04 0.36 0.08 -1.21 -0.81 0.00 0.00 175.30 173.75 3gpw s GLU 122 N -0.35 1.16 -0.12 5.12 2.02 0.46 -4.99 118.70 122.00 3gpw s GLU 122 Ca 0.38 -1.59 -0.28 0.00 0.02 0.00 0.00 54.97 53.50 3gpw s GLU 122 Cb -0.21 0.02 -0.24 0.00 0.10 0.00 0.00 34.13 33.80 3gpw s GLU 122 CO 0.24 -0.28 0.83 0.37 0.02 0.00 0.00 175.26 176.44 3gpw h GLN 123 N 2.64 -0.00 -2.54 1.61 5.75 -1.93 -3.29 115.11 117.35 3gpw h GLN 123 Ca -0.36 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.04 3gpw h GLN 123 Cb 1.23 0.00 -0.21 0.00 1.07 0.00 0.00 27.48 29.57 3gpw h GLN 123 CO 0.58 0.89 -0.09 0.00 -2.65 0.00 0.00 178.83 177.56 3gpw s ARG 125 N -0.57 0.40 -0.03 0.00 6.06 0.37 -4.98 118.95 120.20 3gpw s ARG 125 Ca -0.07 0.86 -0.04 0.00 -2.50 0.00 0.00 55.73 53.98 3gpw s ARG 125 Cb -0.03 0.05 -0.04 0.00 0.06 0.00 0.00 34.95 34.98 3gpw s ARG 125 CO 0.04 -0.17 0.19 0.00 -2.50 0.00 0.00 175.30 172.86 3gpw s ALA 126 N 1.62 3.92 0.01 6.12 0.00 -1.26 -0.84 121.76 131.33 3gpw s ALA 126 Ca -0.08 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3gpw s ALA 126 Cb -0.09 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 3gpw s ALA 126 CO -0.13 0.70 -0.03 0.20 0.00 0.00 0.00 175.76 176.50 3gpw s GLY 127 N -1.71 0.18 0.00 0.00 0.00 0.21 -4.83 107.32 101.17 3gpw s GLY 127 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.65 3gpw s GLY 127 CO 0.15 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.53 3gpw n GLY 128 N 2.40 -0.96 0.39 0.20 0.00 -1.26 -0.03 105.19 105.92 3gpw n GLY 128 Ca -0.17 -2.13 -0.07 0.00 0.00 0.00 0.00 46.02 43.65 3gpw n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw h ALA 129 N 0.00 -0.22 -0.48 4.61 0.00 -1.46 -2.16 119.26 119.55 3gpw h ALA 129 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gpw h ALA 129 Cb 0.00 0.97 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gpw h ALA 129 CO 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 178.47 3gpw n ALA 130 N -3.21 2.90 -0.31 0.00 0.00 -1.26 -4.54 120.51 114.10 3gpw n ALA 130 Ca 0.03 -1.13 0.12 0.00 0.00 0.00 0.00 53.44 52.46 3gpw n ALA 130 Cb 0.35 -1.02 0.29 0.00 0.00 0.00 0.00 19.45 19.08 3gpw n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gpw h ALA 131 N 3.74 1.45 0.00 0.00 0.00 -1.65 0.13 119.26 122.92 3gpw h ALA 131 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3gpw h ALA 131 Cb 1.10 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gpw h ALA 131 CO 0.16 -0.24 -0.16 0.66 0.00 0.00 0.00 179.25 179.67 3gpw h SER 132 N 0.51 0.00 0.96 0.00 4.64 -1.82 -1.60 113.55 116.25 3gpw h SER 132 Ca 0.54 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.67 3gpw h SER 132 Cb 0.95 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 3gpw h SER 132 CO -0.46 0.16 -1.10 -0.07 -0.87 0.00 0.00 176.83 174.49 3gpw h LEU 133 N 0.00 0.00 0.11 5.97 4.07 -1.12 -3.40 115.31 120.94 3gpw h LEU 133 Ca -0.00 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.60 3gpw h LEU 133 Cb 0.52 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 3gpw h LEU 133 CO 0.02 0.80 -2.03 -0.38 -1.08 0.00 0.00 178.44 175.77 3gpw n ILE 134 N -3.17 1.75 -0.18 1.22 5.41 -0.75 -4.38 119.36 119.26 3gpw n ILE 134 Ca -0.05 -0.66 -0.01 0.00 1.00 0.00 0.00 62.75 63.03 3gpw n ILE 134 Cb 0.89 -1.66 0.09 0.00 -0.71 0.00 0.00 39.64 38.25 3gpw n ILE 134 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 3gpw h MET 135 N 0.06 0.34 -0.65 0.38 2.86 -1.51 -1.52 114.93 114.89 3gpw h MET 135 Ca -0.43 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.27 3gpw h MET 135 Cb 2.02 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 33.54 3gpw h MET 135 CO 0.07 0.22 0.31 -1.35 1.06 0.00 0.00 176.91 177.23 3gpw h PRO 136 N 0.35 0.54 -0.01 -0.22 0.11 -1.78 0.17 132.00 131.15 3gpw h PRO 136 Ca 0.28 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.37 3gpw h PRO 136 Cb 0.34 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 3gpw h PRO 136 CO -0.30 0.36 -0.12 0.35 -0.21 0.00 0.00 178.00 178.08 3gpw h PHE 137 N 0.56 -0.32 -0.66 0.65 3.57 -1.57 -2.28 116.94 116.90 3gpw h PHE 137 Ca 0.31 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 3gpw h PHE 137 Cb 0.30 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3gpw h PHE 137 CO -0.11 -0.19 0.34 -0.07 -2.23 0.00 0.00 178.31 176.05 3gpw h LEU 138 N -0.20 0.83 -1.33 0.59 4.07 -0.69 0.14 115.31 118.71 3gpw h LEU 138 Ca 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 3gpw h LEU 138 Cb 0.27 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 3gpw h LEU 138 CO -0.13 0.68 0.25 0.44 -1.08 0.00 0.00 178.44 178.60 3gpw h ASP 139 N 0.92 0.63 0.01 -0.43 3.32 -0.49 0.45 116.42 120.84 3gpw h ASP 139 Ca 0.23 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3gpw h ASP 139 Cb 0.06 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3gpw h ASP 139 CO -0.03 0.54 -0.08 -1.13 -1.72 0.00 0.00 179.24 176.81 3gpw h ASN 140 N 0.71 0.06 0.49 6.45 -0.00 -0.79 -0.92 115.58 121.59 3gpw h ASN 140 Ca 0.18 -0.92 0.00 0.00 -0.00 0.00 0.00 56.30 55.56 3gpw h ASN 140 Cb 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.37 3gpw h ASN 140 CO -0.03 0.97 -0.46 0.00 -0.00 0.00 0.00 177.43 177.92 3gpw n GLN 141 N -4.59 0.07 -0.05 6.67 1.13 0.39 -2.46 117.38 118.55 3gpw n GLN 141 Ca -0.10 -0.04 -0.06 0.00 -1.94 0.00 0.00 57.00 54.85 3gpw n GLN 141 Cb 0.48 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.29 3gpw n GLN 141 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3gpw n VAL 142 N -1.43 0.52 -0.36 5.09 0.31 0.14 -4.65 118.33 117.96 3gpw n VAL 142 Ca 0.06 -0.20 0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3gpw n VAL 142 Cb 0.34 -0.82 0.22 0.00 -0.91 0.00 0.00 33.84 32.66 3gpw n VAL 142 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3gpw n ASN 143 N -2.76 3.42 -4.35 4.52 3.02 -1.18 -4.98 115.26 112.96 3gpw n ASN 143 Ca -0.16 -2.18 -0.38 0.00 -0.03 0.00 0.00 54.58 51.83 3gpw n ASN 143 Cb 0.67 -0.35 -0.05 0.00 -0.61 0.00 0.00 39.78 39.44 3gpw n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gpw n PHE 144 N 0.64 -1.47 -2.15 3.10 3.72 -1.03 -4.89 117.46 115.38 3gpw n PHE 144 Ca 0.17 0.74 -0.40 0.00 -0.05 0.00 0.00 57.45 57.90 3gpw n PHE 144 Cb 0.57 -2.55 -0.02 0.00 -0.94 0.00 0.00 39.48 36.54 3gpw n PHE 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gpw s LYS 14 N -7.07 4.33 0.00 -1.08 -0.14 -0.36 -2.79 119.74 112.63 3gpw s LYS 14 Ca 0.68 2.16 0.00 0.00 -1.36 0.00 0.00 55.97 57.45 3gpw s LYS 14 Cb -0.39 -3.03 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 3gpw s LYS 14 CO 0.97 -0.18 0.00 0.09 -0.76 0.00 0.00 175.35 175.47 3gpw n ASN 14 N 0.74 -3.51 -4.50 2.83 4.13 -1.26 -4.60 115.26 109.09 3gpw n ASN 14 Ca 0.00 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.91 3gpw n ASN 14 Cb 0.42 -2.13 -0.12 0.00 -1.54 0.00 0.00 39.78 36.41 3gpw n ASN 14 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3gpw s GLN 14 N -1.07 3.73 0.44 3.52 -0.21 -1.12 -5.10 119.66 119.86 3gpw s GLN 14 Ca 0.00 -0.45 0.06 0.00 0.02 0.00 0.00 55.36 54.98 3gpw s GLN 14 Cb 0.00 -3.24 -0.05 0.00 1.00 0.00 0.00 33.01 30.72 3gpw s GLN 14 CO 0.00 -0.02 0.09 0.71 -2.12 0.00 0.00 175.29 173.95 3gpw s TYR 14 N 1.15 2.35 -0.16 0.91 2.02 -1.26 -1.59 117.35 120.77 3gpw s TYR 14 Ca 0.04 -0.72 -0.29 0.00 -0.37 0.00 0.00 57.07 55.73 3gpw s TYR 14 Cb -0.14 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 3gpw s TYR 14 CO 0.03 0.26 1.34 -1.21 -1.57 0.00 0.00 175.55 174.40 3gpw s GLU 14 N -3.84 4.18 -0.10 -0.62 0.41 0.16 -4.58 118.70 114.31 3gpw s GLU 14 Ca 0.31 1.70 -0.38 0.00 -0.41 0.00 0.00 54.97 56.19 3gpw s GLU 14 Cb 0.06 -3.82 -0.15 0.00 -1.78 0.00 0.00 34.13 28.43 3gpw s GLU 14 CO 0.16 -0.79 1.63 -2.30 -0.49 0.00 0.00 175.26 173.47 3gpw n PRO 14 N 6.80 1.40 0.00 0.39 -0.02 -1.26 -0.79 135.00 141.51 3gpw n PRO 14 Ca 0.15 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3gpw n PRO 14 Cb 0.45 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3gpw n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gpw n GLY 14 N 3.65 2.71 0.08 -1.23 0.00 -1.26 -4.90 105.19 104.24 3gpw n GLY 14 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 3gpw n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gpw n THR 14 N -2.00 0.02 -3.35 2.61 -2.24 0.03 -4.89 114.28 104.46 3gpw n THR 14 Ca 0.00 -0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.55 3gpw n THR 14 Cb 0.00 -0.27 0.07 0.00 -2.10 0.00 0.00 70.33 68.03 3gpw n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gpw n ASN 1 N -0.72 -4.39 -1.70 3.42 4.05 -1.26 -1.61 115.26 113.05 3gpw n ASN 1 Ca 0.19 -0.48 -0.15 0.00 0.45 0.00 0.00 54.58 54.59 3gpw n ASN 1 Cb 0.13 -4.35 -0.05 0.00 1.23 0.00 0.00 39.78 36.74 3gpw n ASN 1 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3gpw n GLY 14 N -1.54 0.86 0.08 8.20 0.00 -1.26 -4.80 105.19 106.73 3gpw n GLY 14 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3gpw n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gpw n LYS 14 N -2.21 0.53 -0.98 1.61 4.76 -0.63 -5.00 118.16 116.24 3gpw n LYS 14 Ca -0.15 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3gpw n LYS 14 Cb 0.52 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 3gpw n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3gpw n VAL 14 N -2.45 0.00 -4.01 -0.18 0.31 -1.26 -5.06 118.33 105.67 3gpw n VAL 14 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 3gpw n VAL 14 Cb 0.52 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.33 3gpw n VAL 14 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3gpw s LYS 14 N -0.47 3.65 0.32 5.55 2.20 -0.62 0.37 119.74 130.74 3gpw s LYS 14 Ca 0.00 -0.50 -0.28 0.00 -0.36 0.00 0.00 55.97 54.83 3gpw s LYS 14 Cb 0.00 -3.13 -0.13 0.00 -1.51 0.00 0.00 37.83 33.06 3gpw s LYS 14 CO 0.00 -0.00 1.17 -0.35 -0.36 0.00 0.00 175.35 175.80 3gpw n PRO 14 N 4.31 1.79 -0.68 4.03 -0.04 -1.26 -4.89 135.00 138.26 3gpw n PRO 14 Ca -0.17 0.63 -0.05 0.00 -0.04 0.00 0.00 63.50 63.87 3gpw n PRO 14 Cb 0.52 -2.12 -0.05 0.00 -0.04 0.00 0.00 33.50 31.81 3gpw n PRO 14 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gpw n LEU 14 N 0.96 5.35 -4.63 1.53 4.77 -1.26 -4.96 117.00 118.76 3gpw n LEU 14 Ca 0.07 -2.70 -0.46 0.00 -0.03 0.00 0.00 56.01 52.89 3gpw n LEU 14 Cb 0.34 -1.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 3gpw n LEU 14 CO 0.61 1.25 0.83 1.17 -1.33 0.00 0.00 177.39 179.92 3gpw n LYS 14 N 1.79 1.63 -3.54 3.23 4.81 -1.26 -4.91 118.16 119.90 3gpw n LYS 14 Ca 0.15 0.58 -0.36 0.00 -0.87 0.00 0.00 58.31 57.81 3gpw n LYS 14 Cb 0.64 -2.13 -0.06 0.00 0.02 0.00 0.00 35.03 33.50 3gpw n LYS 14 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3gpw s TYR 145 N -0.33 3.65 0.59 5.64 6.14 -1.26 -5.07 117.35 126.71 3gpw s TYR 145 Ca 0.68 0.88 -0.17 0.00 0.64 0.00 0.00 57.07 59.10 3gpw s TYR 145 Cb -0.72 -2.22 -0.04 0.00 0.42 0.00 0.00 41.96 39.40 3gpw s TYR 145 CO 0.53 0.58 1.10 -0.51 0.64 0.00 0.00 175.55 177.89 3gpw s LEU 146 N -1.49 3.58 0.61 6.97 1.43 -1.26 -5.05 118.68 123.46 3gpw s LEU 146 Ca 0.28 2.01 -0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3gpw s LEU 146 Cb -0.15 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.57 3gpw s LEU 146 CO 0.15 -1.31 0.86 -0.94 0.23 0.00 0.00 176.35 175.34 3gpw s SER 147 N -2.31 5.00 0.33 2.29 1.04 -1.26 -4.59 113.70 114.21 3gpw s SER 147 Ca 0.68 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 57.10 3gpw s SER 147 Cb -0.20 -0.69 0.59 0.00 0.10 0.00 0.00 66.02 65.82 3gpw s SER 147 CO 0.34 -1.37 1.90 1.62 0.98 0.00 0.00 173.24 176.71 3gpw h VAL 148 N -0.15 1.19 -0.43 5.02 3.04 -1.99 -1.60 116.25 121.33 3gpw h VAL 148 Ca -0.41 -0.66 -0.10 0.00 -1.01 0.00 0.00 66.70 64.52 3gpw h VAL 148 Cb 1.29 0.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 3gpw h VAL 148 CO 0.50 0.24 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.84 3gpw h GLU 149 N 0.62 0.79 -0.06 4.17 3.07 -1.99 -0.62 114.58 120.55 3gpw h GLU 149 Ca 0.14 -0.27 -0.18 0.00 -0.50 0.00 0.00 59.36 58.55 3gpw h GLU 149 Cb 0.22 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3gpw h GLU 149 CO -0.00 0.88 -0.73 1.49 -1.40 0.00 0.00 179.01 179.25 3gpw h GLU 150 N 0.71 0.34 -0.41 2.33 4.57 -1.85 -2.90 114.58 117.37 3gpw h GLU 150 Ca 0.11 -0.29 -0.13 0.00 -1.18 0.00 0.00 59.36 57.87 3gpw h GLU 150 Cb 0.62 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 3gpw h GLU 150 CO 0.04 0.93 -0.27 0.28 -1.18 0.00 0.00 179.01 178.82 3gpw h VAL 151 N 0.23 1.28 -0.48 0.32 2.07 -1.05 -2.55 116.25 116.07 3gpw h VAL 151 Ca -0.03 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 3gpw h VAL 151 Cb 1.30 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3gpw h VAL 151 CO 0.12 0.48 0.26 0.40 0.02 0.00 0.00 177.57 178.86 3gpw h ILE 152 N 0.74 1.15 -0.15 4.57 1.08 -1.08 -0.68 117.51 123.14 3gpw h ILE 152 Ca 0.08 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 3gpw h ILE 152 Cb 0.85 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 3gpw h ILE 152 CO 0.07 0.16 0.04 0.11 -0.69 0.00 0.00 178.15 177.85 3gpw h LYS 153 N 0.67 0.24 -0.77 2.37 1.57 -1.29 -0.57 116.57 118.79 3gpw h LYS 153 Ca 0.17 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3gpw h LYS 153 Cb 0.02 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 3gpw h LYS 153 CO -0.03 0.39 0.51 -0.07 -0.57 0.00 0.00 179.45 179.67 3gpw h LEU 154 N 0.06 0.87 0.32 2.94 3.38 -1.03 -0.10 115.31 121.74 3gpw h LEU 154 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3gpw h LEU 154 Cb 0.25 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gpw h LEU 154 CO -0.00 0.63 -0.17 0.58 0.09 0.00 0.00 178.44 179.56 3gpw h VAL 155 N 1.03 0.64 -0.43 1.22 2.07 -0.91 0.19 116.25 120.06 3gpw h VAL 155 Ca 0.28 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.83 3gpw h VAL 155 Cb -0.11 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3gpw h VAL 155 CO -0.07 0.00 0.24 0.03 0.02 0.00 0.00 177.57 177.79 3gpw h ARG 156 N -0.46 0.46 -0.83 1.57 3.08 -0.81 -1.56 114.38 115.82 3gpw h ARG 156 Ca -0.04 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3gpw h ARG 156 Cb 0.37 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 3gpw h ARG 156 CO 0.05 0.30 0.38 -0.44 -1.07 0.00 0.00 179.97 179.20 3gpw h ASP 157 N 0.47 1.11 -0.90 7.04 3.45 -0.88 -0.72 116.42 125.99 3gpw h ASP 157 Ca 0.18 -0.15 0.09 0.00 0.43 0.00 0.00 57.03 57.58 3gpw h ASP 157 Cb 0.05 -0.29 -0.06 0.00 -0.56 0.00 0.00 39.33 38.47 3gpw h ASP 157 CO -0.10 0.95 0.58 0.28 -1.57 0.00 0.00 179.24 179.38 3gpw h SER 158 N 1.19 0.84 0.51 6.45 0.02 0.29 -1.23 113.55 121.63 3gpw h SER 158 Ca 0.28 0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.96 3gpw h SER 158 Cb 0.15 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3gpw h SER 158 CO -0.03 0.51 -1.42 -0.26 -1.14 0.00 0.00 176.83 174.48 3gpw h PHE 159 N 0.93 0.48 -0.14 3.45 -1.00 -0.78 -1.91 116.94 117.98 3gpw h PHE 159 Ca 0.41 -0.35 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 3gpw h PHE 159 Cb 0.34 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 3gpw h PHE 159 CO -0.00 1.35 -0.32 1.79 -1.61 0.00 0.00 178.31 179.52 3gpw h THR 160 N 0.07 1.27 -0.04 -1.55 1.35 -0.87 0.40 112.91 113.54 3gpw h THR 160 Ca -0.20 -1.30 -0.02 0.00 -0.55 0.00 0.00 66.41 64.34 3gpw h THR 160 Cb 2.00 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 69.94 3gpw h THR 160 CO 0.18 0.40 -0.04 0.28 -0.25 0.00 0.00 175.52 176.08 3gpw h SER 161 N 0.24 0.11 -0.94 5.36 0.02 -1.28 -2.61 113.55 114.45 3gpw h SER 161 Ca 0.03 -0.50 0.05 0.00 -0.84 0.00 0.00 61.79 60.54 3gpw h SER 161 Cb 0.69 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.14 3gpw h SER 161 CO 0.05 0.59 0.61 0.00 -1.14 0.00 0.00 176.83 176.94 3gpw h ALA 162 N 0.52 1.45 -0.33 3.77 0.00 -0.99 -1.42 119.26 122.27 3gpw h ALA 162 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gpw h ALA 162 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3gpw h ALA 162 CO 0.01 0.43 0.15 1.15 0.00 0.00 0.00 179.25 180.99 3gpw h THR 163 N 1.11 1.12 -0.21 0.00 2.02 -0.11 -0.06 112.91 116.78 3gpw h THR 163 Ca 0.39 -0.35 -0.16 0.00 0.77 0.00 0.00 66.41 67.06 3gpw h THR 163 Cb 0.13 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3gpw h THR 163 CO -0.14 0.14 -0.53 -0.33 0.37 0.00 0.00 175.52 175.03 3gpw h GLU 164 N 0.45 0.61 0.00 6.66 4.39 -0.87 -3.36 114.58 122.46 3gpw h GLU 164 Ca 0.12 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3gpw h GLU 164 Cb 0.07 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3gpw h GLU 164 CO -0.02 0.98 -1.03 0.54 -1.16 0.00 0.00 179.01 178.32 3gpw n ARG 165 N -3.97 1.37 -4.84 2.33 5.12 -1.06 -4.94 116.66 110.66 3gpw n ARG 165 Ca -0.03 -0.04 -0.32 0.00 -1.93 0.00 0.00 57.85 55.52 3gpw n ARG 165 Cb 0.59 -1.29 -0.16 0.00 -1.16 0.00 0.00 32.46 30.44 3gpw n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3gpw s HIS 166 N -2.69 2.67 -0.73 -1.55 2.46 -0.06 -5.01 115.29 110.38 3gpw s HIS 166 Ca 0.03 -1.13 0.20 0.00 0.47 0.00 0.00 55.06 54.64 3gpw s HIS 166 Cb 0.12 -1.80 0.84 0.00 -0.13 0.00 0.00 32.58 31.61 3gpw s HIS 166 CO 0.67 -0.49 1.63 0.44 -2.47 0.00 0.00 174.74 174.52 3gpw n ILE 167 N 3.83 0.84 1.11 0.89 -5.35 -1.26 -2.60 119.36 116.81 3gpw n ILE 167 Ca -0.19 0.19 0.12 0.00 -0.27 0.00 0.00 62.75 62.60 3gpw n ILE 167 Cb 0.52 -1.03 0.16 0.00 -1.74 0.00 0.00 39.64 37.56 3gpw n ILE 167 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gpw n GLN 168 N -1.91 1.50 -4.35 6.28 6.02 -1.26 -4.88 117.38 118.77 3gpw n GLN 168 Ca 0.03 -1.15 -0.34 0.00 -0.01 0.00 0.00 57.00 55.53 3gpw n GLN 168 Cb 0.23 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 29.89 3gpw n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3gpw s VAL 169 N -2.30 3.93 -4.65 5.09 1.01 -1.07 -3.91 120.40 118.51 3gpw s VAL 169 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3gpw s VAL 169 Cb 0.19 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.84 3gpw s VAL 169 CO 0.46 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.66 3gpw n GLY 170 N 3.61 -0.76 5.00 4.51 0.00 -1.26 -4.48 105.19 111.81 3gpw n GLY 170 Ca -0.17 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3gpw n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gpw n ASP 171 N 0.84 0.00 -3.47 1.61 8.00 -0.31 -3.89 116.55 119.34 3gpw n ASP 171 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3gpw n ASP 171 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3gpw n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3gpw s GLY 172 N 0.00 -0.56 -0.13 0.44 0.00 -1.26 -1.52 107.32 104.29 3gpw s GLY 172 Ca 0.00 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.62 3gpw s GLY 172 CO 0.00 0.45 -0.15 -2.27 0.00 0.00 0.00 173.10 171.13 3gpw s LEU 173 N -2.21 1.69 -0.12 0.66 2.96 0.14 -0.03 118.68 121.77 3gpw s LEU 173 Ca -0.01 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3gpw s LEU 173 Cb -0.01 -1.13 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 3gpw s LEU 173 CO -0.06 -0.02 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.06 3gpw s GLU 174 N 1.23 3.16 -0.05 1.98 2.12 -0.87 -0.83 118.70 125.44 3gpw s GLU 174 Ca -0.01 -0.80 0.06 0.00 0.36 0.00 0.00 54.97 54.58 3gpw s GLU 174 Cb -0.14 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.77 3gpw s GLU 174 CO -0.06 0.13 -0.23 0.42 -0.54 0.00 0.00 175.26 174.98 3gpw s ILE 175 N 0.51 2.25 -0.20 -3.70 1.01 0.35 -2.09 121.20 119.32 3gpw s ILE 175 Ca -0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.49 3gpw s ILE 175 Cb -0.17 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.48 3gpw s ILE 175 CO 0.05 0.57 -0.08 -0.76 0.00 0.00 0.00 174.94 174.72 3gpw s LEU 176 N -0.32 2.73 -0.18 2.97 1.02 -0.65 -0.81 118.68 123.44 3gpw s LEU 176 Ca 0.01 -0.43 -0.06 0.00 0.02 0.00 0.00 54.13 53.67 3gpw s LEU 176 Cb -0.13 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.38 3gpw s LEU 176 CO 0.02 0.01 0.03 -0.63 0.02 0.00 0.00 176.35 175.80 3gpw s ILE 177 N 1.30 4.43 -0.18 -0.59 1.09 0.12 -1.57 121.20 125.80 3gpw s ILE 177 Ca 0.04 -0.16 -0.03 0.00 -1.10 0.00 0.00 60.65 59.40 3gpw s ILE 177 Cb -0.14 -2.99 -0.02 0.00 -1.06 0.00 0.00 42.46 38.25 3gpw s ILE 177 CO -0.04 0.45 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.50 3gpw s VAL 178 N 0.54 3.48 0.32 2.92 1.01 0.56 -0.57 120.40 128.66 3gpw s VAL 178 Ca 0.01 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3gpw s VAL 178 Cb -0.13 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3gpw s VAL 178 CO 0.02 0.47 0.23 0.42 0.00 0.00 0.00 175.10 176.23 3gpw s THR 179 N 0.83 0.10 0.12 3.92 -4.23 -0.45 -1.54 115.64 114.40 3gpw s THR 179 Ca -0.02 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.80 3gpw s THR 179 Cb -0.15 -2.48 0.31 0.00 1.34 0.00 0.00 72.50 71.52 3gpw s THR 179 CO 0.01 0.00 1.95 0.07 -0.54 0.00 0.00 174.62 176.11 3gpw h LYS 180 N 2.18 0.00 -0.08 3.99 2.10 -1.93 0.39 116.57 123.22 3gpw h LYS 180 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3gpw h LYS 180 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3gpw h LYS 180 CO 0.43 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.63 3gpw n ASP 182 N -2.60 1.89 0.00 7.07 8.00 -1.26 -5.05 116.55 124.59 3gpw n ASP 182 Ca -0.02 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 53.83 3gpw n ASP 182 Cb 0.07 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3gpw n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gpw n GLY 183 N 1.21 0.27 3.40 0.44 0.00 0.13 -5.02 105.19 105.62 3gpw n GLY 183 Ca 0.18 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 3gpw n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 184 N 0.00 3.47 0.19 1.61 1.01 -1.26 -1.34 120.40 124.07 3gpw s VAL 184 Ca 0.00 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 61.60 3gpw s VAL 184 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3gpw s VAL 184 CO 0.00 0.48 -0.23 -0.60 0.00 0.00 0.00 175.10 174.75 3gpw s ARG 185 N 0.69 1.55 -0.02 2.72 3.52 0.27 -4.95 118.95 122.73 3gpw s ARG 185 Ca -0.04 -1.49 0.06 0.00 -0.13 0.00 0.00 55.73 54.13 3gpw s ARG 185 Cb -0.15 -1.88 -0.01 0.00 -1.56 0.00 0.00 34.95 31.35 3gpw s ARG 185 CO 0.02 0.41 -0.19 0.15 -0.81 0.00 0.00 175.30 174.88 3gpw s LYS 186 N -2.62 1.61 0.06 5.12 1.02 -1.26 0.14 119.74 123.81 3gpw s LYS 186 Ca 0.20 -0.67 0.06 0.00 0.02 0.00 0.00 55.97 55.58 3gpw s LYS 186 Cb -0.08 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 3gpw s LYS 186 CO 0.10 0.38 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.53 3gpw s GLU 187 N -0.35 1.06 -0.03 1.68 2.02 0.01 -4.98 118.70 118.12 3gpw s GLU 187 Ca 0.05 -0.92 0.02 0.00 0.02 0.00 0.00 54.97 54.14 3gpw s GLU 187 Cb -0.08 -1.15 0.01 0.00 0.10 0.00 0.00 34.13 33.01 3gpw s GLU 187 CO -0.00 0.28 -0.06 0.12 0.02 0.00 0.00 175.26 175.62 3gpw s PHE 188 N -0.97 0.73 0.01 1.61 5.36 -1.26 -0.50 117.98 122.96 3gpw s PHE 188 Ca 0.03 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 55.85 3gpw s PHE 188 Cb -0.09 -0.56 -0.01 0.00 -0.34 0.00 0.00 43.02 42.02 3gpw s PHE 188 CO 0.02 -0.11 -0.08 0.71 -1.46 0.00 0.00 175.22 174.30 3gpw s TYR 189 N 0.40 0.74 0.52 10.12 1.51 -0.01 -5.00 117.35 125.63 3gpw s TYR 189 Ca -0.05 -0.24 -0.17 0.00 -1.01 0.00 0.00 57.07 55.60 3gpw s TYR 189 Cb -0.09 -0.46 -0.07 0.00 -0.11 0.00 0.00 41.96 41.23 3gpw s TYR 189 CO 0.00 -0.02 1.01 -1.21 -1.11 0.00 0.00 175.55 174.22 3gpw s GLU 190 N -0.61 3.79 0.20 -0.62 2.02 -1.26 0.25 118.70 122.47 3gpw s GLU 190 Ca -0.00 1.08 0.05 0.00 0.02 0.00 0.00 54.97 56.12 3gpw s GLU 190 Cb -0.05 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.02 3gpw s GLU 190 CO 0.00 -0.41 -0.07 -0.51 0.02 0.00 0.00 175.26 174.29 3gpw s LEU 191 N -4.04 2.41 0.36 1.80 1.43 -0.58 -4.74 118.68 115.32 3gpw s LEU 191 Ca 0.61 -1.11 -0.28 0.00 -1.03 0.00 0.00 54.13 52.32 3gpw s LEU 191 Cb -0.12 -0.41 -0.11 0.00 0.03 0.00 0.00 46.19 45.58 3gpw s LEU 191 CO 0.30 -0.37 1.48 0.29 0.23 0.00 0.00 176.35 178.28 3gpw n LYS 192 N -0.35 2.61 -0.40 1.70 5.02 -1.26 -3.50 118.16 121.98 3gpw n LYS 192 Ca -0.07 0.92 0.09 0.00 -2.02 0.00 0.00 58.31 57.22 3gpw n LYS 192 Cb 0.62 -2.64 0.28 0.00 -0.02 0.00 0.00 35.03 33.27 3gpw n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gpw n ARG 193 N 0.80 2.77 0.00 1.97 1.74 -1.26 -1.16 116.66 121.53 3gpw n ARG 193 Ca 0.03 -2.23 0.13 0.00 -0.77 0.00 0.00 57.85 55.01 3gpw n ARG 193 Cb 0.38 -1.61 0.41 0.00 -1.02 0.00 0.00 32.46 30.62 3gpw n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71