#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw n GLN -7 N 0.00 0.00 -3.77 -2.82 10.64 -1.26 -5.02 117.38 115.16 3gpw n GLN -7 Ca 0.00 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.04 3gpw n GLN -7 Cb 0.00 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.24 3gpw n GLN -7 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 3gpw s GLN -6 N -1.56 0.11 0.65 2.61 -2.07 -1.26 -5.10 119.66 113.05 3gpw s GLN -6 Ca 0.00 0.33 -0.18 0.00 -1.82 0.00 0.00 55.36 53.69 3gpw s GLN -6 Cb 0.00 -0.12 -0.01 0.00 -1.09 0.00 0.00 33.01 31.80 3gpw s GLN -6 CO 0.00 -0.13 1.26 -1.25 -1.32 0.00 0.00 175.29 173.85 3gpw s PRO -5 N 0.92 2.54 0.00 9.60 0.04 -1.26 -4.98 135.00 141.86 3gpw s PRO -5 Ca -0.07 1.97 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3gpw s PRO -5 Cb -0.09 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3gpw s PRO -5 CO -0.05 -1.58 0.00 -0.89 0.04 0.00 0.00 177.00 174.52 3gpw n ILE -4 N -2.00 0.00 -3.27 0.56 2.08 -1.26 -4.99 119.36 110.47 3gpw n ILE -4 Ca 0.15 0.00 -0.39 0.00 0.56 0.00 0.00 62.75 63.07 3gpw n ILE -4 Cb 0.49 -0.90 -0.08 0.00 -0.75 0.00 0.00 39.64 38.40 3gpw n ILE -4 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3gpw s VAL -3 N -0.80 5.10 0.17 1.39 1.01 -1.26 -4.08 120.40 121.92 3gpw s VAL -3 Ca 0.00 0.85 0.08 0.00 0.00 0.00 0.00 61.98 62.91 3gpw s VAL -3 Cb 0.00 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3gpw s VAL -3 CO 0.00 0.13 -0.17 0.42 0.00 0.00 0.00 175.10 175.48 3gpw s THR -2 N 2.03 1.74 -0.07 3.92 -4.23 0.96 0.69 115.64 120.68 3gpw s THR -2 Ca 0.21 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 3gpw s THR -2 Cb -0.15 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 3gpw s THR -2 CO 0.09 -0.38 -0.10 -0.83 -0.54 0.00 0.00 174.62 172.87 3gpw s GLY -1 N -2.74 1.63 0.00 3.99 0.00 0.36 -0.34 107.32 110.22 3gpw s GLY -1 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.96 3gpw s GLY -1 CO 0.06 -0.65 0.00 -0.37 0.00 0.00 0.00 173.10 172.14 3gpw n THR 1 N 2.38 0.00 -1.26 0.90 5.66 -1.26 -1.60 114.28 119.10 3gpw n THR 1 Ca -0.18 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.44 3gpw n THR 1 Cb 0.53 -0.17 0.02 0.00 -1.55 0.00 0.00 70.33 69.15 3gpw n THR 1 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3gpw n SER 2 N 0.00 -3.44 -3.71 1.09 7.64 -1.26 -4.61 113.62 109.34 3gpw n SER 2 Ca 0.00 0.63 -0.24 0.00 1.01 0.00 0.00 58.87 60.27 3gpw n SER 2 Cb 0.00 -0.89 -0.17 0.00 -1.01 0.00 0.00 64.21 62.13 3gpw n SER 2 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gpw s VAL 3 N -1.96 0.18 0.15 0.44 1.01 -1.25 -4.42 120.40 114.55 3gpw s VAL 3 Ca 0.57 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.65 3gpw s VAL 3 Cb -0.46 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3gpw s VAL 3 CO 0.66 0.04 -0.12 0.27 0.00 0.00 0.00 175.10 175.95 3gpw s ILE 4 N 2.04 3.13 0.09 2.22 -4.36 -0.72 -0.95 121.20 122.65 3gpw s ILE 4 Ca 0.03 -1.56 -0.26 0.00 -0.26 0.00 0.00 60.65 58.60 3gpw s ILE 4 Cb -0.14 -2.51 0.08 0.00 1.25 0.00 0.00 42.46 41.14 3gpw s ILE 4 CO -0.06 -0.03 0.84 -0.94 0.24 0.00 0.00 174.94 175.00 3gpw s SER 5 N -2.57 -0.34 0.07 4.36 1.04 0.04 -0.61 113.70 115.68 3gpw s SER 5 Ca 0.23 -0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.23 3gpw s SER 5 Cb -0.10 0.48 0.09 0.00 0.10 0.00 0.00 66.02 66.59 3gpw s SER 5 CO 0.14 -0.82 0.81 0.00 0.98 0.00 0.00 173.24 174.35 3gpw s MET 6 N -3.35 1.02 0.06 4.02 0.23 -0.76 -1.44 119.30 119.08 3gpw s MET 6 Ca 0.07 -0.41 0.05 0.00 -1.03 0.00 0.00 55.69 54.37 3gpw s MET 6 Cb -0.01 0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 3gpw s MET 6 CO -0.05 -0.45 -0.09 -1.59 -2.03 0.00 0.00 175.02 170.80 3gpw s LYS 7 N -3.34 2.31 0.47 3.16 -2.85 -0.65 -0.76 119.74 118.08 3gpw s LYS 7 Ca 0.05 -0.89 0.01 0.00 -1.00 0.00 0.00 55.97 54.14 3gpw s LYS 7 Cb -0.01 -2.38 -0.01 0.00 -2.06 0.00 0.00 37.83 33.37 3gpw s LYS 7 CO -0.08 0.55 0.05 2.48 0.10 0.00 0.00 175.35 178.45 3gpw n TYR 8 N 1.13 0.78 -0.31 1.78 4.11 0.46 -4.87 117.16 120.24 3gpw n TYR 8 Ca -0.14 -2.52 0.16 0.00 -0.00 0.00 0.00 57.90 55.40 3gpw n TYR 8 Cb 0.52 -0.21 0.34 0.00 -0.00 0.00 0.00 39.34 39.99 3gpw n TYR 8 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 3gpw h ASP 9 N 1.35 0.19 -0.01 9.48 3.04 0.04 -2.82 116.42 127.69 3gpw h ASP 9 Ca -0.38 0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 3gpw h ASP 9 Cb 1.24 0.21 0.00 0.00 -1.04 0.00 0.00 39.33 39.74 3gpw h ASP 9 CO 0.62 -0.12 -0.24 0.59 -2.04 0.00 0.00 179.24 178.05 3gpw n ASN 10 N -5.15 1.69 0.00 4.15 5.03 -1.26 -4.85 115.26 114.87 3gpw n ASN 10 Ca 0.24 -1.35 0.00 0.00 0.87 0.00 0.00 54.58 54.34 3gpw n ASN 10 Cb 0.75 0.37 0.00 0.00 -1.02 0.00 0.00 39.78 39.88 3gpw n ASN 10 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gpw n GLY 11 N 1.04 1.10 3.03 7.41 0.00 -1.06 -0.94 105.19 115.76 3gpw n GLY 11 Ca 0.07 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 3gpw n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpw s VAL 12 N -0.55 0.19 0.12 1.61 -7.23 -0.70 -0.40 120.40 113.43 3gpw s VAL 12 Ca 0.00 -1.28 0.10 0.00 -1.81 0.00 0.00 61.98 58.99 3gpw s VAL 12 Cb 0.00 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 3gpw s VAL 12 CO 0.00 -0.69 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.23 3gpw s ILE 13 N -2.42 2.01 -0.14 -0.62 1.01 0.06 -1.53 121.20 119.56 3gpw s ILE 13 Ca -0.06 -1.65 -0.14 0.00 0.00 0.00 0.00 60.65 58.80 3gpw s ILE 13 Cb -0.03 -1.79 0.04 0.00 0.01 0.00 0.00 42.46 40.68 3gpw s ILE 13 CO -0.04 0.03 0.39 -0.51 0.00 0.00 0.00 174.94 174.81 3gpw s ILE 14 N -1.10 0.00 0.08 2.92 2.07 -0.49 -1.83 121.20 122.86 3gpw s ILE 14 Ca 0.11 -0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.29 3gpw s ILE 14 Cb -0.10 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 3gpw s ILE 14 CO 0.05 -0.00 0.10 0.00 -1.91 0.00 0.00 174.94 173.17 3gpw s ALA 15 N 0.18 0.15 -0.28 1.50 0.00 0.22 -0.87 121.76 122.65 3gpw s ALA 15 Ca -0.00 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 50.82 3gpw s ALA 15 Cb -0.03 0.43 0.11 0.00 0.00 0.00 0.00 23.12 23.63 3gpw s ALA 15 CO 0.01 -0.46 0.89 0.00 0.00 0.00 0.00 175.76 176.20 3gpw s ALA 16 N -3.90 -1.96 1.04 0.00 0.00 -0.91 -1.76 121.76 114.26 3gpw s ALA 16 Ca 0.07 2.06 -0.14 0.00 0.00 0.00 0.00 51.96 53.95 3gpw s ALA 16 Cb 0.06 -1.42 0.21 0.00 0.00 0.00 0.00 23.12 21.97 3gpw s ALA 16 CO -0.09 -0.30 1.11 0.16 0.00 0.00 0.00 175.76 176.63 3gpw s ASP 17 N 0.69 2.30 -0.56 0.00 3.84 -1.26 -1.55 116.67 120.13 3gpw s ASP 17 Ca -0.02 0.97 0.01 0.00 -0.00 0.00 0.00 52.55 53.51 3gpw s ASP 17 Cb -0.05 -1.49 0.55 0.00 -1.38 0.00 0.00 42.92 40.55 3gpw s ASP 17 CO -0.08 -3.30 1.98 0.59 -0.00 0.00 0.00 175.17 174.36 3gpw n ASN 18 N -4.26 5.86 -4.74 2.11 3.02 -0.29 -4.57 115.26 112.39 3gpw n ASN 18 Ca 0.08 -3.70 -0.33 0.00 -0.03 0.00 0.00 54.58 50.60 3gpw n ASN 18 Cb 0.58 -0.91 -0.08 0.00 -0.61 0.00 0.00 39.78 38.76 3gpw n ASN 18 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3gpw s LEU 19 N -3.56 3.74 -0.39 3.41 2.96 -1.26 -2.37 118.68 121.21 3gpw s LEU 19 Ca 0.61 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 3gpw s LEU 19 Cb 0.49 -2.15 0.12 0.00 0.50 0.00 0.00 46.19 45.15 3gpw s LEU 19 CO 0.05 0.28 0.16 -0.83 -1.32 0.00 0.00 176.35 174.69 3gpw s GLY 20 N -1.63 1.62 0.56 7.98 0.00 0.52 -4.42 107.32 111.96 3gpw s GLY 20 Ca 0.21 -2.37 -0.14 0.00 0.00 0.00 0.00 44.72 42.42 3gpw s GLY 20 CO 0.12 1.39 1.00 -0.56 0.00 0.00 0.00 173.10 175.05 3gpw s SER 21 N 0.79 6.46 -0.52 1.64 0.01 0.54 -1.29 113.70 121.33 3gpw s SER 21 Ca 0.14 1.51 0.06 0.00 1.31 0.00 0.00 55.95 58.97 3gpw s SER 21 Cb -0.21 -2.49 0.20 0.00 0.21 0.00 0.00 66.02 63.73 3gpw s SER 21 CO -0.09 -0.70 0.50 0.00 0.41 0.00 0.00 173.24 173.35 3gpw n TYR 22 N -2.05 1.10 0.00 2.43 4.19 0.35 -0.03 117.16 123.16 3gpw n TYR 22 Ca 0.06 -3.78 0.00 0.00 3.31 0.00 0.00 57.90 57.50 3gpw n TYR 22 Cb 0.54 -0.26 0.00 0.00 0.49 0.00 0.00 39.34 40.11 3gpw n TYR 22 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3gpw n GLY 23 N 1.91 1.10 0.36 2.98 0.00 -1.26 -2.52 105.19 107.77 3gpw n GLY 23 Ca 0.25 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.82 3gpw n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gpw n SER 24 N 7.48 1.32 -4.63 1.61 3.41 -1.26 -4.81 113.62 116.74 3gpw n SER 24 Ca 0.00 -1.16 -0.41 0.00 -0.26 0.00 0.00 58.87 57.04 3gpw n SER 24 Cb 0.00 0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.01 3gpw n SER 24 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gpw s LEU 25 N -2.34 4.08 -1.45 1.04 2.96 -1.05 -4.95 118.68 116.98 3gpw s LEU 25 Ca 0.28 0.78 -0.13 0.00 -0.22 0.00 0.00 54.13 54.84 3gpw s LEU 25 Cb 0.20 -2.97 0.05 0.00 0.50 0.00 0.00 46.19 43.96 3gpw s LEU 25 CO 0.46 -0.45 2.26 0.18 -1.32 0.00 0.00 176.35 177.49 3gpw n LEU 26 N 5.87 7.08 0.24 -0.68 4.77 -1.26 -0.49 117.00 132.52 3gpw n LEU 26 Ca 0.02 -4.25 -0.16 0.00 -0.03 0.00 0.00 56.01 51.59 3gpw n LEU 26 Cb 0.48 -1.62 -0.08 0.00 -2.33 0.00 0.00 43.42 39.88 3gpw n LEU 26 CO 0.45 1.28 0.67 -0.09 -1.33 0.00 0.00 177.39 178.37 3gpw h ARG 27 N 5.82 -0.66 -5.22 3.23 2.43 -1.89 -3.44 114.38 114.65 3gpw h ARG 27 Ca 0.58 0.04 -0.65 0.00 -0.81 0.00 0.00 59.98 59.14 3gpw h ARG 27 Cb 0.59 0.15 -0.27 0.00 -0.42 0.00 0.00 29.97 30.03 3gpw h ARG 27 CO 1.83 -0.44 -0.74 -0.06 -1.51 0.00 0.00 179.97 179.06 3gpw s PHE 28 N -6.05 2.88 -1.81 2.20 0.08 -0.41 -5.00 117.98 109.87 3gpw s PHE 28 Ca -0.17 -0.71 0.16 0.00 0.12 0.00 0.00 56.93 56.34 3gpw s PHE 28 Cb 0.05 -1.93 0.08 0.00 -0.57 0.00 0.00 43.02 40.65 3gpw s PHE 28 CO 0.63 -0.30 0.95 0.09 -0.10 0.00 0.00 175.22 176.50 3gpw n ASN 29 N 3.91 2.08 -1.70 1.36 4.13 -1.26 -0.36 115.26 123.41 3gpw n ASN 29 Ca -0.18 -1.54 -0.17 0.00 1.68 0.00 0.00 54.58 54.37 3gpw n ASN 29 Cb 0.52 0.17 0.11 0.00 -1.54 0.00 0.00 39.78 39.04 3gpw n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gpw n GLY 30 N 1.00 5.65 3.64 7.41 0.00 -1.24 -4.66 105.19 116.98 3gpw n GLY 30 Ca 0.08 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3gpw n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 31 N -4.05 4.93 -0.30 1.61 1.01 -1.00 -5.03 120.40 117.57 3gpw s VAL 31 Ca 0.51 1.31 -0.17 0.00 0.00 0.00 0.00 61.98 63.62 3gpw s VAL 31 Cb 0.43 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3gpw s VAL 31 CO 0.01 0.00 0.48 -0.70 0.00 0.00 0.00 175.10 174.89 3gpw s GLU 32 N 2.55 3.84 -0.04 2.72 2.56 -1.26 -4.18 118.70 124.90 3gpw s GLU 32 Ca 0.30 0.03 0.16 0.00 0.00 0.00 0.00 54.97 55.45 3gpw s GLU 32 Cb -0.15 -3.73 0.50 0.00 2.00 0.00 0.00 34.13 32.75 3gpw s GLU 32 CO 0.08 -0.47 1.42 0.54 -0.56 0.00 0.00 175.26 176.27 3gpw n ARG 33 N 5.58 3.01 -3.89 4.30 1.74 -1.26 -4.87 116.66 121.27 3gpw n ARG 33 Ca -0.05 -2.46 -0.35 0.00 -0.77 0.00 0.00 57.85 54.21 3gpw n ARG 33 Cb 0.50 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 30.27 3gpw n ARG 33 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gpw s LEU 34 N -1.35 3.28 -0.37 0.55 1.43 -1.26 -1.33 118.68 119.63 3gpw s LEU 34 Ca 0.38 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 3gpw s LEU 34 Cb 0.22 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.75 3gpw s LEU 34 CO 0.22 -0.12 0.17 -0.63 0.23 0.00 0.00 176.35 176.22 3gpw s ILE 35 N 1.41 3.97 0.30 -0.59 -1.09 0.13 -4.91 121.20 120.41 3gpw s ILE 35 Ca 0.02 -1.24 -0.28 0.00 -2.23 0.00 0.00 60.65 56.93 3gpw s ILE 35 Cb -0.16 -3.32 -0.09 0.00 -1.58 0.00 0.00 42.46 37.30 3gpw s ILE 35 CO -0.02 -0.31 0.98 -2.84 -1.23 0.00 0.00 174.94 171.51 3gpw s PRO 36 N 1.41 4.63 -0.31 2.79 0.02 -1.26 0.39 135.00 142.67 3gpw s PRO 36 Ca 0.01 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.49 3gpw s PRO 36 Cb -0.21 -2.97 0.10 0.00 0.02 0.00 0.00 34.50 31.44 3gpw s PRO 36 CO 0.03 0.30 0.08 0.08 -0.33 0.00 0.00 177.00 177.15 3gpw s VAL 37 N -1.42 1.26 0.00 3.83 1.01 0.11 -4.92 120.40 120.27 3gpw s VAL 37 Ca 0.47 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.85 3gpw s VAL 37 Cb -0.23 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3gpw s VAL 37 CO 0.29 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.39 3gpw n GLY 38 N 4.69 0.33 0.92 4.51 0.00 -1.26 -3.43 105.19 110.94 3gpw n GLY 38 Ca -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.11 3gpw n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gpw n ASP 39 N 4.12 0.91 0.00 1.61 3.85 -1.26 -4.72 116.55 121.06 3gpw n ASP 39 Ca 0.00 -2.37 0.00 0.00 -0.71 0.00 0.00 54.79 51.71 3gpw n ASP 39 Cb 0.00 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.46 3gpw n ASP 39 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3gpw n ASN 40 N -0.07 0.06 -3.80 -1.12 2.04 -1.26 -4.07 115.26 107.05 3gpw n ASN 40 Ca 0.07 -1.02 -0.13 0.00 -0.44 0.00 0.00 54.58 53.06 3gpw n ASN 40 Cb 0.89 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 38.01 3gpw n ASN 40 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3gpw s THR 41 N -0.02 -0.01 -0.07 5.53 2.01 -1.22 -1.46 115.64 120.40 3gpw s THR 41 Ca 0.00 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.06 3gpw s THR 41 Cb 0.00 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.30 3gpw s THR 41 CO 0.00 0.02 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.21 3gpw s VAL 42 N 0.43 0.70 -0.28 3.82 1.01 0.46 0.05 120.40 126.59 3gpw s VAL 42 Ca -0.03 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 3gpw s VAL 42 Cb -0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3gpw s VAL 42 CO -0.02 0.28 0.11 -0.69 0.00 0.00 0.00 175.10 174.78 3gpw s VAL 43 N 1.21 4.39 -0.16 2.92 1.01 0.16 -1.22 120.40 128.72 3gpw s VAL 43 Ca -0.06 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 3gpw s VAL 43 Cb -0.14 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3gpw s VAL 43 CO -0.02 0.18 0.29 -0.83 0.00 0.00 0.00 175.10 174.73 3gpw s GLY 44 N 1.60 2.21 -0.06 4.51 0.00 0.37 0.18 107.32 116.14 3gpw s GLY 44 Ca 0.05 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.36 3gpw s GLY 44 CO 0.05 0.42 -0.18 -0.42 0.00 0.00 0.00 173.10 172.96 3gpw s ILE 45 N 0.43 1.54 0.20 0.90 1.01 -0.45 -1.28 121.20 123.55 3gpw s ILE 45 Ca 0.17 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 60.14 3gpw s ILE 45 Cb -0.13 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 3gpw s ILE 45 CO 0.04 0.44 -0.16 -0.94 0.00 0.00 0.00 174.94 174.32 3gpw s SER 46 N 0.15 2.68 0.00 3.58 1.04 -0.21 -4.85 113.70 116.08 3gpw s SER 46 Ca -0.07 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.39 3gpw s SER 46 Cb -0.13 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.83 3gpw s SER 46 CO 0.03 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.75 3gpw n GLY 47 N -0.19 0.22 3.67 7.32 0.00 -0.63 -1.24 105.19 114.34 3gpw n GLY 47 Ca -0.09 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 3gpw n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gpw s ASP 48 N -4.00 6.66 0.19 1.61 2.15 0.33 -0.48 116.67 123.13 3gpw s ASP 48 Ca 0.00 2.32 -0.07 0.00 0.43 0.00 0.00 52.55 55.23 3gpw s ASP 48 Cb 0.00 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.19 3gpw s ASP 48 CO 0.00 -0.89 1.61 0.40 -0.17 0.00 0.00 175.17 176.12 3gpw h ILE 49 N 5.24 1.27 -0.64 4.11 1.08 -0.09 -1.80 117.51 126.68 3gpw h ILE 49 Ca -0.41 -1.31 -0.00 0.00 -0.39 0.00 0.00 64.86 62.75 3gpw h ILE 49 Cb 1.19 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 3gpw h ILE 49 CO 0.94 0.45 0.39 0.77 -0.69 0.00 0.00 178.15 180.01 3gpw h SER 50 N 0.79 0.75 0.20 1.72 4.64 -1.91 -0.37 113.55 119.37 3gpw h SER 50 Ca 0.11 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 3gpw h SER 50 Cb 0.72 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3gpw h SER 50 CO 0.06 0.58 -0.66 0.44 -0.87 0.00 0.00 176.83 176.37 3gpw h ASP 51 N 0.87 0.49 -0.42 4.97 3.45 -1.89 -2.74 116.42 121.15 3gpw h ASP 51 Ca 0.23 -0.30 0.02 0.00 0.43 0.00 0.00 57.03 57.41 3gpw h ASP 51 Cb -0.04 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.56 3gpw h ASP 51 CO -0.04 1.02 0.25 -0.03 -1.57 0.00 0.00 179.24 178.86 3gpw h MET 52 N 0.31 0.50 0.00 3.56 4.05 -0.29 0.19 114.93 123.23 3gpw h MET 52 Ca -0.02 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 3gpw h MET 52 Cb 1.21 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.90 3gpw h MET 52 CO 0.11 0.33 -0.07 1.96 0.23 0.00 0.00 176.91 179.47 3gpw h GLN 53 N 0.51 0.00 -0.04 0.39 4.20 -1.07 0.24 115.11 119.34 3gpw h GLN 53 Ca 0.17 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.64 3gpw h GLN 53 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 3gpw h GLN 53 CO -0.07 0.07 -0.93 1.25 -0.67 0.00 0.00 178.83 178.47 3gpw h HIS 54 N 0.00 0.90 -0.16 2.96 2.76 -0.76 -2.33 115.15 118.52 3gpw h HIS 54 Ca -0.00 -0.46 -0.08 0.00 -2.20 0.00 0.00 60.37 57.63 3gpw h HIS 54 Cb 0.13 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3gpw h HIS 54 CO 0.00 1.29 -0.25 0.82 -1.30 0.00 0.00 177.93 178.49 3gpw h ILE 55 N 0.38 1.24 -0.11 6.26 1.08 0.78 -1.90 117.51 125.24 3gpw h ILE 55 Ca -0.09 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.24 3gpw h ILE 55 Cb 1.57 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 3gpw h ILE 55 CO 0.18 0.35 0.07 -0.33 -0.69 0.00 0.00 178.15 177.73 3gpw h GLU 56 N 0.25 0.15 -0.78 2.37 5.08 -0.39 -0.65 114.58 120.62 3gpw h GLU 56 Ca 0.04 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3gpw h GLU 56 Cb 0.58 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 3gpw h GLU 56 CO 0.04 0.13 0.37 -0.09 -1.00 0.00 0.00 179.01 178.46 3gpw h ARG 57 N 0.13 1.11 -0.55 2.33 2.43 -1.17 -1.31 114.38 117.36 3gpw h ARG 57 Ca 0.04 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3gpw h ARG 57 Cb 0.01 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 3gpw h ARG 57 CO -0.01 0.86 0.27 -0.07 -1.51 0.00 0.00 179.97 179.51 3gpw h LEU 58 N 1.10 0.71 -0.79 3.80 3.38 -0.92 -2.22 115.31 120.38 3gpw h LEU 58 Ca 0.27 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3gpw h LEU 58 Cb 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3gpw h LEU 58 CO -0.03 0.64 0.24 -0.07 0.09 0.00 0.00 178.44 179.31 3gpw h LEU 59 N 0.74 1.07 -0.60 1.67 3.38 -0.51 -1.35 115.31 119.71 3gpw h LEU 59 Ca 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gpw h LEU 59 Cb 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3gpw h LEU 59 CO -0.02 0.98 0.31 0.11 0.09 0.00 0.00 178.44 179.91 3gpw h LYS 60 N 1.10 0.85 -0.80 1.13 1.57 -1.01 -2.57 116.57 116.84 3gpw h LYS 60 Ca 0.24 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3gpw h LYS 60 Cb 0.29 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3gpw h LYS 60 CO -0.01 0.67 0.37 -0.44 -0.57 0.00 0.00 179.45 179.47 3gpw h ASP 61 N 0.82 1.06 -0.58 0.86 5.19 -1.08 -1.83 116.42 120.86 3gpw h ASP 61 Ca 0.21 -0.14 0.07 0.00 -0.62 0.00 0.00 57.03 56.55 3gpw h ASP 61 Cb 0.09 -0.27 -0.06 0.00 0.18 0.00 0.00 39.33 39.27 3gpw h ASP 61 CO -0.03 0.91 0.27 0.25 -3.12 0.00 0.00 179.24 177.53 3gpw h LEU 62 N 1.15 0.36 -0.29 1.55 6.46 -0.87 0.20 115.31 123.87 3gpw h LEU 62 Ca 0.27 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 3gpw h LEU 62 Cb 0.14 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 3gpw h LEU 62 CO -0.03 0.23 0.15 0.58 -0.62 0.00 0.00 178.44 178.75 3gpw h VAL 63 N 0.51 1.14 0.43 1.05 2.07 -1.08 0.48 116.25 120.85 3gpw h VAL 63 Ca 0.27 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3gpw h VAL 63 Cb 0.24 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3gpw h VAL 63 CO -0.22 0.14 -0.23 0.74 0.02 0.00 0.00 177.57 178.03 3gpw h THR 64 N 0.35 0.53 -0.83 2.57 2.02 -0.74 -2.68 112.91 114.14 3gpw h THR 64 Ca 0.10 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.37 3gpw h THR 64 Cb 0.09 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 3gpw h THR 64 CO -0.01 0.00 0.48 -0.08 0.37 0.00 0.00 175.52 176.28 3gpw h GLU 65 N -0.61 0.80 0.00 6.66 4.57 -0.53 -1.26 114.58 124.21 3gpw h GLU 65 Ca -0.06 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 3gpw h GLU 65 Cb 0.48 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3gpw h GLU 65 CO 0.08 0.53 -0.12 -0.97 -1.18 0.00 0.00 179.01 177.35 3gpw h ASN 66 N 0.82 0.00 0.16 1.04 -1.24 -0.72 -2.51 115.58 113.13 3gpw h ASN 66 Ca 0.39 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.26 3gpw h ASN 66 Cb 0.33 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 3gpw h ASN 66 CO -0.23 0.12 -0.53 0.00 -1.29 0.00 0.00 177.43 175.49 3gpw h ALA 67 N 1.88 0.83 -1.82 1.57 0.00 -0.89 -3.41 119.26 117.41 3gpw h ALA 67 Ca -0.00 -0.50 -0.67 0.00 0.00 0.00 0.00 54.91 53.74 3gpw h ALA 67 Cb 0.21 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gpw h ALA 67 CO 0.02 0.68 0.82 0.66 0.00 0.00 0.00 179.25 181.42 3gpw n TYR 68 N -3.95 2.02 -3.97 0.00 4.01 -0.95 -1.76 117.16 112.57 3gpw n TYR 68 Ca -0.02 0.39 -0.32 0.00 -0.16 0.00 0.00 57.90 57.78 3gpw n TYR 68 Cb 0.58 -2.49 -0.01 0.00 -0.31 0.00 0.00 39.34 37.11 3gpw n TYR 68 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3gpw n ASP 69 N 4.61 -3.72 -3.70 7.72 10.43 -1.26 -4.92 116.55 125.70 3gpw n ASP 69 Ca 0.22 -0.82 -0.30 0.00 2.57 0.00 0.00 54.79 56.46 3gpw n ASP 69 Cb 0.21 -3.03 -0.13 0.00 1.84 0.00 0.00 41.12 40.01 3gpw n ASP 69 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3gpw s ASN 70 N -3.15 3.69 0.00 -2.24 2.47 -0.72 -4.96 114.94 110.02 3gpw s ASN 70 Ca 0.66 -2.41 0.09 0.00 0.42 0.00 0.00 52.86 51.63 3gpw s ASN 70 Cb -0.35 -0.97 0.44 0.00 -1.45 0.00 0.00 41.25 38.92 3gpw s ASN 70 CO 0.81 -0.30 1.25 -0.81 -3.72 0.00 0.00 177.10 174.33 3gpw n PRO 69 N 3.83 0.06 -0.37 0.43 -0.04 -1.26 -2.22 135.00 135.44 3gpw n PRO 69 Ca 0.07 0.27 0.08 0.00 -0.04 0.00 0.00 63.50 63.88 3gpw n PRO 69 Cb 0.36 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.54 3gpw n PRO 69 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gpw n LEU 69 N -1.40 3.40 0.15 1.53 4.77 -1.26 -4.75 117.00 119.43 3gpw n LEU 69 Ca 0.03 -3.14 0.17 0.00 -0.03 0.00 0.00 56.01 53.04 3gpw n LEU 69 Cb 0.09 -0.52 0.77 0.00 -2.33 0.00 0.00 43.42 41.43 3gpw n LEU 69 CO 0.08 0.76 1.15 0.00 -1.33 0.00 0.00 177.39 178.06 3gpw h ALA 70 N 1.13 2.03 -0.28 -1.18 0.00 -1.66 0.58 119.26 119.89 3gpw h ALA 70 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3gpw h ALA 70 Cb 1.32 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3gpw h ALA 70 CO 0.16 -0.40 -0.01 -0.40 0.00 0.00 0.00 179.25 178.61 3gpw n ASP 71 N -4.00 3.44 0.00 0.00 5.68 -1.26 -3.60 116.55 116.81 3gpw n ASP 71 Ca 0.04 -3.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.11 3gpw n ASP 71 Cb 0.41 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 3gpw n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gpw n ALA 72 N -0.73 2.21 0.00 2.12 0.00 0.02 -4.94 120.51 119.18 3gpw n ALA 72 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3gpw n ALA 72 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.38 3gpw n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gpw n GLU 71 N -1.86 0.00 -2.07 0.00 -0.58 -0.17 -4.93 120.64 111.03 3gpw n GLU 71 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 3gpw n GLU 71 Cb 0.00 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 30.91 3gpw n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gpw s ALA 71 N 0.00 3.04 0.05 0.62 0.00 -1.19 -4.43 121.76 119.85 3gpw s ALA 71 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 51.96 51.19 3gpw s ALA 71 Cb 0.00 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 3gpw s ALA 71 CO 0.00 -1.01 1.54 -0.51 0.00 0.00 0.00 175.76 175.78 3gpw s LEU 74 N -5.23 4.35 0.37 0.00 1.43 -1.26 -5.02 118.68 113.32 3gpw s LEU 74 Ca 0.57 2.34 -0.05 0.00 -1.03 0.00 0.00 54.13 55.95 3gpw s LEU 74 Cb -0.11 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 3gpw s LEU 74 CO 0.49 -0.81 0.66 -1.61 0.23 0.00 0.00 176.35 175.31 3gpw s GLU 75 N 2.45 3.61 0.31 1.70 0.41 -1.26 -4.93 118.70 120.98 3gpw s GLU 75 Ca 0.69 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 55.35 3gpw s GLU 75 Cb -0.36 -2.52 0.49 0.00 -1.78 0.00 0.00 34.13 29.96 3gpw s GLU 75 CO 0.30 0.04 1.91 -1.35 -0.49 0.00 0.00 175.26 175.66 3gpw h PRO 76 N 1.04 0.84 0.00 0.39 0.11 -1.84 -2.06 132.00 130.48 3gpw h PRO 76 Ca -0.48 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 65.47 3gpw h PRO 76 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3gpw h PRO 76 CO 0.64 0.67 -0.25 0.66 -0.21 0.00 0.00 178.00 179.51 3gpw h SER 77 N 0.84 0.00 -0.03 -2.05 4.64 -1.96 -1.03 113.55 113.95 3gpw h SER 77 Ca 0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3gpw h SER 77 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3gpw h SER 77 CO -0.02 0.25 -0.03 1.88 -0.87 0.00 0.00 176.83 178.03 3gpw h TYR 78 N 0.00 0.10 -0.47 4.77 0.05 -1.78 -1.34 116.97 118.30 3gpw h TYR 78 Ca -0.00 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.83 3gpw h TYR 78 Cb 0.46 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 38.11 3gpw h TYR 78 CO 0.00 0.55 0.07 0.82 -1.05 0.00 0.00 178.16 178.55 3gpw h ILE 79 N -0.38 0.71 0.05 -2.88 1.08 -1.06 -1.69 117.51 113.34 3gpw h ILE 79 Ca 0.01 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3gpw h ILE 79 Cb 0.53 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3gpw h ILE 79 CO 0.01 0.04 -0.02 0.15 -0.69 0.00 0.00 178.15 177.63 3gpw h PHE 80 N 0.19 -0.06 -0.53 1.37 3.04 -1.17 -2.18 116.94 117.60 3gpw h PHE 80 Ca 0.24 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.25 3gpw h PHE 80 Cb 0.33 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 3gpw h PHE 80 CO -0.24 0.15 0.35 1.49 -2.02 0.00 0.00 178.31 178.04 3gpw h GLU 81 N -0.27 0.46 0.60 1.11 4.57 -0.99 0.23 114.58 120.29 3gpw h GLU 81 Ca -0.01 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3gpw h GLU 81 Cb 0.24 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3gpw h GLU 81 CO 0.01 0.31 -0.29 -0.92 -1.18 0.00 0.00 179.01 176.94 3gpw h TYR 82 N 0.48 -0.75 -0.55 0.92 3.20 -1.15 -1.56 116.97 117.55 3gpw h TYR 82 Ca 0.23 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.15 3gpw h TYR 82 Cb 0.30 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 3gpw h TYR 82 CO -0.00 -0.41 0.24 -0.07 -1.64 0.00 0.00 178.16 176.28 3gpw h LEU 83 N -1.05 0.30 -0.59 2.82 3.38 -0.86 -1.29 115.31 118.03 3gpw h LEU 83 Ca -0.08 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.01 3gpw h LEU 83 Cb 0.67 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 3gpw h LEU 83 CO 0.14 0.20 0.26 0.00 0.09 0.00 0.00 178.44 179.13 3gpw h ALA 84 N 1.34 0.76 -0.31 1.53 0.00 -0.56 0.12 119.26 122.14 3gpw h ALA 84 Ca 0.26 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3gpw h ALA 84 Cb 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3gpw h ALA 84 CO -0.22 -0.12 0.13 1.15 0.00 0.00 0.00 179.25 180.18 3gpw h THR 85 N 0.48 0.95 -0.22 0.00 2.02 -0.26 -1.67 112.91 114.22 3gpw h THR 85 Ca 0.28 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3gpw h THR 85 Cb 0.27 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3gpw h THR 85 CO -0.24 0.05 0.09 0.58 0.37 0.00 0.00 175.52 176.37 3gpw h VAL 86 N 0.28 1.16 -0.61 3.16 2.07 -0.47 -1.84 116.25 120.00 3gpw h VAL 86 Ca 0.13 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.22 3gpw h VAL 86 Cb 0.08 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3gpw h VAL 86 CO -0.12 0.16 0.30 0.24 0.02 0.00 0.00 177.57 178.18 3gpw h MET 87 N 0.20 0.54 -0.17 1.57 2.86 -0.53 -0.36 114.93 119.03 3gpw h MET 87 Ca 0.07 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.55 3gpw h MET 87 Cb 0.17 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3gpw h MET 87 CO -0.01 0.36 -0.45 -0.92 1.06 0.00 0.00 176.91 176.95 3gpw h TYR 88 N 0.55 0.52 -0.38 -0.22 5.03 -1.19 -1.93 116.97 119.36 3gpw h TYR 88 Ca 0.28 -0.16 -0.07 0.00 2.58 0.00 0.00 58.73 61.36 3gpw h TYR 88 Cb 0.23 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 3gpw h TYR 88 CO -0.11 0.81 -0.05 1.96 -1.32 0.00 0.00 178.16 179.45 3gpw h GLN 89 N 0.35 0.70 -0.71 1.82 4.20 -0.80 -1.37 115.11 119.31 3gpw h GLN 89 Ca 0.02 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 3gpw h GLN 89 Cb 0.94 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 3gpw h GLN 89 CO 0.08 0.83 0.23 0.00 -0.67 0.00 0.00 178.83 179.29 3gpw h ARG 90 N 0.51 1.09 -0.10 1.46 2.47 -0.98 -1.66 114.38 117.17 3gpw h ARG 90 Ca 0.10 -0.22 -0.14 0.00 -1.26 0.00 0.00 59.98 58.46 3gpw h ARG 90 Cb 0.54 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 3gpw h ARG 90 CO 0.03 0.92 -0.55 0.07 0.56 0.00 0.00 179.97 181.00 3gpw h ARG 91 N 1.05 0.29 0.00 0.04 -0.00 -1.25 -1.12 114.38 113.38 3gpw h ARG 91 Ca 0.23 -0.18 0.00 0.00 -0.00 0.00 0.00 59.98 60.03 3gpw h ARG 91 Cb 0.29 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.28 3gpw h ARG 91 CO -0.01 0.76 0.00 0.77 -0.00 0.00 0.00 179.97 181.49 3gpw h SER 92 N 0.22 0.00 -0.68 0.08 0.02 -0.71 -0.85 113.55 111.63 3gpw h SER 92 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gpw h SER 92 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3gpw h SER 92 CO 0.09 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.07 3gpw n LYS 92 N -2.44 2.84 -2.80 3.45 5.02 -0.67 -4.94 118.16 118.61 3gpw n LYS 92 Ca 0.02 -2.62 -0.22 0.00 -2.02 0.00 0.00 58.31 53.48 3gpw n LYS 92 Cb 0.26 -1.56 0.02 0.00 -0.02 0.00 0.00 35.03 33.72 3gpw n LYS 92 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3gpw n MET 92 N 1.47 -3.62 -3.06 1.97 2.81 -0.33 -4.86 117.12 111.50 3gpw n MET 92 Ca 0.23 0.91 -0.17 0.00 -1.81 0.00 0.00 57.70 56.86 3gpw n MET 92 Cb 0.62 -5.69 -0.03 0.00 -0.71 0.00 0.00 33.22 27.41 3gpw n MET 92 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3gpw n ASN 93 N -2.31 -1.43 -4.80 7.83 4.05 -0.45 0.14 115.26 118.28 3gpw n ASN 93 Ca -0.16 -2.79 -0.30 0.00 0.45 0.00 0.00 54.58 51.78 3gpw n ASN 93 Cb 0.64 0.43 0.09 0.00 1.23 0.00 0.00 39.78 42.16 3gpw n ASN 93 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3gpw s PRO 94 N -0.02 2.21 -0.48 1.20 0.04 -1.19 -4.54 135.00 132.23 3gpw s PRO 94 Ca 0.33 0.74 -0.18 0.00 0.04 0.00 0.00 61.00 61.93 3gpw s PRO 94 Cb 0.12 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.78 3gpw s PRO 94 CO -0.15 -1.56 0.54 -0.51 0.04 0.00 0.00 177.00 175.36 3gpw s LEU 95 N -5.77 5.08 -0.60 -3.56 1.43 -1.26 -4.92 118.68 109.08 3gpw s LEU 95 Ca 0.60 -0.94 -0.13 0.00 -1.03 0.00 0.00 54.13 52.63 3gpw s LEU 95 Cb -0.15 -2.39 -0.12 0.00 0.03 0.00 0.00 46.19 43.57 3gpw s LEU 95 CO 0.55 -0.77 1.80 1.87 0.23 0.00 0.00 176.35 180.02 3gpw n TRP 96 N 5.85 1.14 -4.32 0.29 -0.00 -1.26 -4.16 117.44 114.98 3gpw n TRP 96 Ca -0.08 -1.49 -0.18 0.00 -0.00 0.00 0.00 57.50 55.75 3gpw n TRP 96 Cb 0.45 -1.39 -0.09 0.00 -0.00 0.00 0.00 31.31 30.28 3gpw n TRP 96 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3gpw s ASN 97 N 4.64 1.36 -0.08 5.87 -0.87 -1.26 -0.51 114.94 124.10 3gpw s ASN 97 Ca 0.42 -1.54 -0.00 0.00 -1.57 0.00 0.00 52.86 50.17 3gpw s ASN 97 Cb 0.10 0.38 0.02 0.00 -0.02 0.00 0.00 41.25 41.74 3gpw s ASN 97 CO 0.07 -0.88 -0.04 0.00 -2.57 0.00 0.00 177.10 173.67 3gpw s ALA 98 N -3.67 0.92 0.02 0.60 0.00 -0.37 -0.58 121.76 118.67 3gpw s ALA 98 Ca 0.37 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.15 3gpw s ALA 98 Cb 0.05 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 3gpw s ALA 98 CO 0.17 -0.28 -0.24 0.42 0.00 0.00 0.00 175.76 175.84 3gpw s ILE 99 N 1.50 1.91 -0.13 0.00 1.01 0.17 -1.05 121.20 124.61 3gpw s ILE 99 Ca -0.01 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.46 3gpw s ILE 99 Cb -0.13 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.74 3gpw s ILE 99 CO -0.04 0.39 -0.14 -0.63 0.00 0.00 0.00 174.94 174.52 3gpw s ILE 100 N -0.70 1.45 -0.27 2.92 -1.09 -0.40 -1.03 121.20 122.07 3gpw s ILE 100 Ca 0.10 -0.58 -0.08 0.00 -2.23 0.00 0.00 60.65 57.85 3gpw s ILE 100 Cb -0.09 -1.36 -0.02 0.00 -1.58 0.00 0.00 42.46 39.41 3gpw s ILE 100 CO 0.01 0.44 0.10 -0.69 -1.23 0.00 0.00 174.94 173.57 3gpw s VAL 101 N 1.31 4.44 -0.03 2.92 1.01 0.03 -0.48 120.40 129.60 3gpw s VAL 101 Ca 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3gpw s VAL 101 Cb -0.14 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3gpw s VAL 101 CO -0.07 0.23 -0.22 0.00 0.00 0.00 0.00 175.10 175.05 3gpw s ALA 102 N 1.62 2.32 0.00 5.51 0.00 -0.36 -2.22 121.76 128.63 3gpw s ALA 102 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3gpw s ALA 102 Cb -0.16 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3gpw s ALA 102 CO 0.05 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.75 3gpw n GLY 103 N 2.44 -1.51 3.17 0.00 0.00 0.05 -0.40 105.19 108.93 3gpw n GLY 103 Ca -0.16 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 3gpw n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 104 N -2.12 2.11 0.86 1.61 1.01 -0.53 0.12 120.40 123.46 3gpw s VAL 104 Ca 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 3gpw s VAL 104 Cb 0.00 -1.85 0.11 0.00 0.00 0.00 0.00 36.38 34.64 3gpw s VAL 104 CO 0.00 0.54 1.09 -1.10 0.00 0.00 0.00 175.10 175.64 3gpw s GLN 105 N 0.90 1.54 0.52 2.72 -1.52 0.71 -4.68 119.66 119.86 3gpw s GLN 105 Ca -0.05 1.02 0.21 0.00 -1.95 0.00 0.00 55.36 54.60 3gpw s GLN 105 Cb -0.15 -1.83 1.32 0.00 -0.22 0.00 0.00 33.01 32.13 3gpw s GLN 105 CO -0.04 -2.10 2.04 0.66 -0.25 0.00 0.00 175.29 175.60 3gpw h SER 10 N -1.46 0.04 -0.32 5.90 4.64 -1.97 -0.12 113.55 120.27 3gpw h SER 10 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3gpw h SER 10 Cb 1.26 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3gpw h SER 10 CO 0.52 0.03 0.00 -0.46 -0.87 0.00 0.00 176.83 176.04 3gpw n ASN 10 N -4.43 2.86 0.00 4.97 6.94 -1.26 -4.90 115.26 119.43 3gpw n ASN 10 Ca 0.06 -2.29 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 3gpw n ASN 10 Cb 0.43 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 3gpw n ASN 10 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gpw n GLY 106 N 0.60 3.16 3.65 4.83 0.00 -0.06 -5.03 105.19 112.34 3gpw n GLY 106 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3gpw n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gpw n ASP 107 N 0.00 1.44 -4.82 1.61 10.43 -1.26 -4.61 116.55 119.34 3gpw n ASP 107 Ca 0.00 0.90 -0.35 0.00 2.57 0.00 0.00 54.79 57.91 3gpw n ASP 107 Cb 0.00 -1.44 -0.06 0.00 1.84 0.00 0.00 41.12 41.46 3gpw n ASP 107 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3gpw s GLN 108 N -2.67 4.23 -0.09 -1.24 1.11 -1.26 -0.21 119.66 119.54 3gpw s GLN 108 Ca 0.72 0.93 0.00 0.00 0.01 0.00 0.00 55.36 57.03 3gpw s GLN 108 Cb -0.44 -2.62 0.02 0.00 -1.01 0.00 0.00 33.01 28.97 3gpw s GLN 108 CO 0.49 0.23 -0.08 0.12 0.01 0.00 0.00 175.29 176.07 3gpw s PHE 109 N -1.79 1.30 -0.22 0.91 2.19 0.34 -4.83 117.98 115.88 3gpw s PHE 109 Ca 0.51 -0.56 -0.04 0.00 0.33 0.00 0.00 56.93 57.17 3gpw s PHE 109 Cb -0.14 -1.07 0.10 0.00 -1.31 0.00 0.00 43.02 40.60 3gpw s PHE 109 CO 0.19 -0.39 0.26 -1.17 1.83 0.00 0.00 175.22 175.93 3gpw s LEU 110 N 1.38 -0.22 0.01 6.12 2.96 -1.25 -0.77 118.68 126.91 3gpw s LEU 110 Ca -0.02 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3gpw s LEU 110 Cb -0.14 0.53 -0.01 0.00 0.50 0.00 0.00 46.19 47.08 3gpw s LEU 110 CO -0.04 -0.32 0.09 -0.60 -1.32 0.00 0.00 176.35 174.15 3gpw s ARG 111 N 2.37 0.44 0.02 1.98 3.52 -0.94 -4.34 118.95 122.00 3gpw s ARG 111 Ca 0.08 -0.48 0.05 0.00 -0.13 0.00 0.00 55.73 55.25 3gpw s ARG 111 Cb -0.16 0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 3gpw s ARG 111 CO -0.14 -0.10 -0.12 -0.47 -0.81 0.00 0.00 175.30 173.66 3gpw s TYR 112 N -1.48 2.73 -0.06 5.12 5.04 -0.43 -0.79 117.35 127.48 3gpw s TYR 112 Ca -0.15 -0.15 -0.09 0.00 -2.44 0.00 0.00 57.07 54.25 3gpw s TYR 112 Cb -0.08 -1.54 0.02 0.00 0.35 0.00 0.00 41.96 40.71 3gpw s TYR 112 CO 0.01 0.31 0.23 0.54 -1.34 0.00 0.00 175.55 175.30 3gpw s VAL 113 N -0.96 0.02 0.34 3.14 0.11 -0.20 -2.44 120.40 120.42 3gpw s VAL 113 Ca 0.16 -0.19 0.05 0.00 -2.93 0.00 0.00 61.98 59.07 3gpw s VAL 113 Cb -0.11 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 3gpw s VAL 113 CO 0.06 -0.10 0.17 -0.46 -3.33 0.00 0.00 175.10 171.44 3gpw n ASN 114 N 2.46 0.62 0.21 3.54 0.23 -1.07 0.42 115.26 121.67 3gpw n ASN 114 Ca -0.16 -2.93 0.16 0.00 -0.53 0.00 0.00 54.58 51.12 3gpw n ASN 114 Cb 0.57 1.09 0.68 0.00 -2.08 0.00 0.00 39.78 40.05 3gpw n ASN 114 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3gpw h LEU 115 N 0.00 0.00 0.00 -4.53 -0.00 -1.00 0.75 115.31 110.53 3gpw h LEU 115 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 3gpw h LEU 115 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 3gpw h LEU 115 CO 0.40 0.00 -0.51 0.18 -0.00 0.00 0.00 178.44 178.51 3gpw n LEU 116 N -3.16 0.54 0.00 0.17 4.77 -1.26 -4.39 117.00 113.67 3gpw n LEU 116 Ca 0.03 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3gpw n LEU 116 Cb 0.61 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3gpw n LEU 116 CO 0.18 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3gpw n GLY 117 N 1.43 0.70 3.75 -0.72 0.00 0.26 -4.73 105.19 105.89 3gpw n GLY 117 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3gpw n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 118 N -2.10 3.55 0.04 1.61 1.01 -1.26 -4.78 120.40 118.48 3gpw s VAL 118 Ca 0.00 1.51 0.02 0.00 0.00 0.00 0.00 61.98 63.51 3gpw s VAL 118 Cb 0.00 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3gpw s VAL 118 CO 0.00 0.34 -0.07 0.42 0.00 0.00 0.00 175.10 175.78 3gpw s THR 119 N -0.95 0.52 0.02 3.92 -4.23 -1.26 -2.60 115.64 111.08 3gpw s THR 119 Ca 0.46 -0.99 -0.28 0.00 -1.18 0.00 0.00 61.69 59.70 3gpw s THR 119 Cb -0.32 -0.58 0.10 0.00 1.34 0.00 0.00 72.50 73.04 3gpw s THR 119 CO 0.40 -0.33 0.83 -0.72 -0.54 0.00 0.00 174.62 174.26 3gpw s TYR 120 N -1.24 -0.38 0.08 3.99 -0.85 -1.02 -4.99 117.35 112.93 3gpw s TYR 120 Ca -0.09 0.24 0.07 0.00 -0.52 0.00 0.00 57.07 56.77 3gpw s TYR 120 Cb -0.09 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.76 3gpw s TYR 120 CO 0.00 -0.60 -0.18 -1.12 -1.52 0.00 0.00 175.55 172.13 3gpw s SER 121 N -2.52 2.15 -0.01 -0.18 0.01 -1.26 -1.31 113.70 110.58 3gpw s SER 121 Ca 0.04 -0.62 -0.28 0.00 1.31 0.00 0.00 55.95 56.40 3gpw s SER 121 Cb -0.01 -0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.19 3gpw s SER 121 CO -0.10 0.02 0.74 -0.55 0.41 0.00 0.00 173.24 173.77 3gpw s SER 122 N -1.69 -0.55 0.57 2.44 0.15 -1.26 -5.02 113.70 108.34 3gpw s SER 122 Ca 0.03 0.38 0.29 0.00 0.70 0.00 0.00 55.95 57.35 3gpw s SER 122 Cb -0.10 0.49 1.47 0.00 -1.71 0.00 0.00 66.02 66.18 3gpw s SER 122 CO 0.03 -0.66 1.92 -0.65 1.20 0.00 0.00 173.24 175.08 3gpw h PRO 123 N 2.53 0.00 -5.15 5.44 0.11 -1.94 -3.40 132.00 129.58 3gpw h PRO 123 Ca -0.27 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.46 3gpw h PRO 123 Cb 1.20 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.09 3gpw h PRO 123 CO 0.36 0.00 -0.77 0.95 -0.21 0.00 0.00 178.00 178.33 3gpw s THR 124 N -4.77 0.97 -0.14 -1.15 -4.23 -1.26 -1.63 115.64 103.43 3gpw s THR 124 Ca -0.05 -1.20 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 3gpw s THR 124 Cb 0.18 -0.95 0.04 0.00 1.34 0.00 0.00 72.50 73.11 3gpw s THR 124 CO 0.63 -0.23 0.36 -0.76 -0.54 0.00 0.00 174.62 174.08 3gpw s LEU 125 N -1.61 0.48 0.02 4.79 1.43 -0.52 -4.98 118.68 118.29 3gpw s LEU 125 Ca -0.03 0.74 -0.08 0.00 -1.03 0.00 0.00 54.13 53.73 3gpw s LEU 125 Cb -0.10 1.22 0.00 0.00 0.03 0.00 0.00 46.19 47.34 3gpw s LEU 125 CO 0.02 -0.14 0.16 0.00 0.23 0.00 0.00 176.35 176.62 3gpw s ALA 126 N 0.49 -0.31 0.23 4.21 0.00 -1.26 -0.78 121.76 124.34 3gpw s ALA 126 Ca -0.02 -0.26 0.08 0.00 0.00 0.00 0.00 51.96 51.76 3gpw s ALA 126 Cb -0.04 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3gpw s ALA 126 CO -0.03 -0.29 0.03 0.95 0.00 0.00 0.00 175.76 176.42 3gpw s THR 127 N -2.10 3.70 0.00 0.00 -4.23 -0.12 -4.32 115.64 108.57 3gpw s THR 127 Ca -0.09 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 3gpw s THR 127 Cb -0.04 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.87 3gpw s THR 127 CO -0.02 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 3gpw n GLY 128 N -0.61 3.12 0.37 3.99 0.00 -1.26 -2.08 105.19 108.72 3gpw n GLY 128 Ca -0.08 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3gpw n GLY 128 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gpw h PHE 129 N 0.00 1.05 0.00 1.61 3.04 -1.95 -1.24 116.94 119.45 3gpw h PHE 129 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3gpw h PHE 129 Cb 0.00 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.16 3gpw h PHE 129 CO 0.00 0.55 0.00 0.41 -2.02 0.00 0.00 178.31 177.25 3gpw n GLY 130 N -1.39 -1.03 0.19 2.40 0.00 -0.88 -1.62 105.19 102.86 3gpw n GLY 130 Ca 0.14 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 3gpw n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw h ALA 131 N 2.19 0.66 0.17 4.61 0.00 -1.25 0.15 119.26 125.79 3gpw h ALA 131 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 54.91 54.01 3gpw h ALA 131 Cb 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3gpw h ALA 131 CO 0.00 0.73 -1.63 0.45 0.00 0.00 0.00 179.25 178.80 3gpw h HIS 132 N 0.31 0.64 0.00 0.00 -0.00 -1.41 -3.37 115.15 111.32 3gpw h HIS 132 Ca -0.02 -0.47 -0.31 0.00 -0.00 0.00 0.00 60.37 59.58 3gpw h HIS 132 Cb 1.21 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 28.54 3gpw h HIS 132 CO 0.04 1.54 -2.17 -1.33 -0.00 0.00 0.00 177.93 176.01 3gpw n MET 133 N -3.55 1.01 -0.05 2.45 2.81 -0.86 -4.52 117.12 114.42 3gpw n MET 133 Ca -0.20 0.04 -0.12 0.00 -1.81 0.00 0.00 57.70 55.61 3gpw n MET 133 Cb 1.07 -1.43 -0.11 0.00 -0.71 0.00 0.00 33.22 32.04 3gpw n MET 133 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gpw h ALA 134 N 0.54 -0.01 -0.79 3.04 0.00 -0.95 -3.34 119.26 117.75 3gpw h ALA 134 Ca -0.46 -0.39 0.19 0.00 0.00 0.00 0.00 54.91 54.24 3gpw h ALA 134 Cb 1.93 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.60 3gpw h ALA 134 CO -0.01 -0.04 0.11 -0.91 0.00 0.00 0.00 179.25 178.40 3gpw h ASN 135 N -0.95 -0.17 -0.65 0.00 2.35 -1.48 0.71 115.58 115.40 3gpw h ASN 135 Ca -0.00 0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3gpw h ASN 135 Cb 0.79 0.29 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 3gpw h ASN 135 CO 0.00 -0.14 0.43 -0.65 -1.65 0.00 0.00 177.43 175.42 3gpw h PRO 136 N 0.17 0.81 0.21 0.81 0.11 -1.79 0.12 132.00 132.43 3gpw h PRO 136 Ca 0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 3gpw h PRO 136 Cb 0.83 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3gpw h PRO 136 CO -0.63 0.53 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.52 3gpw h LEU 137 N 0.83 -0.24 -1.41 2.35 3.38 -1.05 -3.17 115.31 116.00 3gpw h LEU 137 Ca 0.25 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.04 3gpw h LEU 137 Cb -0.02 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3gpw h LEU 137 CO -0.06 0.28 0.49 -0.07 0.09 0.00 0.00 178.44 179.18 3gpw h LEU 138 N -0.91 0.59 -0.58 1.67 3.38 -1.00 0.12 115.31 118.58 3gpw h LEU 138 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gpw h LEU 138 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3gpw h LEU 138 CO 0.05 0.35 0.00 0.54 0.09 0.00 0.00 178.44 179.47 3gpw n ARG 139 N -4.50 0.15 0.03 1.13 1.74 0.42 -1.55 116.66 114.07 3gpw n ARG 139 Ca 0.13 0.40 0.14 0.00 -0.77 0.00 0.00 57.85 57.74 3gpw n ARG 139 Cb 0.34 -1.80 0.56 0.00 -1.02 0.00 0.00 32.46 30.54 3gpw n ARG 139 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3gpw n LYS 140 N -2.09 0.06 -0.13 5.56 5.02 0.03 -2.50 118.16 124.11 3gpw n LYS 140 Ca 0.02 0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 56.10 3gpw n LYS 140 Cb 0.21 -1.57 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 3gpw n LYS 140 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3gpw n VAL 141 N -1.68 1.45 -3.88 -0.18 0.31 -0.60 -4.79 118.33 108.95 3gpw n VAL 141 Ca 0.07 -0.35 -0.29 0.00 -0.01 0.00 0.00 64.34 63.75 3gpw n VAL 141 Cb 0.35 -1.87 -0.13 0.00 -0.91 0.00 0.00 33.84 31.28 3gpw n VAL 141 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3gpw s VAL 14 N -2.49 2.43 0.11 2.52 -7.23 -0.88 -4.94 120.40 109.92 3gpw s VAL 14 Ca -0.37 -3.47 -0.04 0.00 -1.81 0.00 0.00 61.98 56.29 3gpw s VAL 14 Cb 0.14 -2.66 -0.22 0.00 0.56 0.00 0.00 36.38 34.20 3gpw s VAL 14 CO 0.46 -0.89 1.24 -0.78 -0.31 0.00 0.00 175.10 174.83 3gpw h ASP 14 N 6.18 0.49 -5.66 4.85 -0.00 -1.77 -3.41 116.42 117.10 3gpw h ASP 14 Ca 0.01 -0.44 -0.30 0.00 -0.00 0.00 0.00 57.03 56.30 3gpw h ASP 14 Cb 0.86 -0.15 -0.13 0.00 -0.00 0.00 0.00 39.33 39.90 3gpw h ASP 14 CO 0.66 1.27 -0.51 0.00 -0.00 0.00 0.00 179.24 180.66 3gpw s ARG 14 N -3.03 1.46 0.22 0.28 3.03 -1.26 -5.02 118.95 114.62 3gpw s ARG 14 Ca -0.05 -1.73 -0.11 0.00 2.03 0.00 0.00 55.73 55.87 3gpw s ARG 14 Cb 0.08 0.32 0.31 0.00 -1.03 0.00 0.00 34.95 34.63 3gpw s ARG 14 CO 0.87 -0.52 1.65 1.49 -1.13 0.00 0.00 175.30 177.66 3gpw h GLU 14 N 2.40 0.08 0.00 3.89 4.57 -2.02 -1.20 114.58 122.29 3gpw h GLU 14 Ca -0.31 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3gpw h GLU 14 Cb 1.24 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3gpw h GLU 14 CO 0.45 0.05 0.07 -1.13 -1.18 0.00 0.00 179.01 177.28 3gpw n SER 14 N -5.34 0.17 0.09 1.04 3.41 -1.26 -0.90 113.62 110.84 3gpw n SER 14 Ca 0.10 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 3gpw n SER 14 Cb 0.37 -0.54 0.20 0.00 -0.26 0.00 0.00 64.21 63.98 3gpw n SER 14 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gpw h ASP 14 N 0.00 0.00 0.49 4.04 3.45 -1.58 -3.38 116.42 119.44 3gpw h ASP 14 Ca 0.00 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 3gpw h ASP 14 Cb 0.14 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3gpw h ASP 14 CO 0.00 0.06 -0.37 0.40 -1.57 0.00 0.00 179.24 177.76 3gpw h ILE 14 N 0.00 0.25 0.00 0.35 1.08 -1.15 -2.17 117.51 115.86 3gpw h ILE 14 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3gpw h ILE 14 Cb 0.81 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3gpw h ILE 14 CO 0.00 0.00 0.04 1.55 -0.69 0.00 0.00 178.15 179.05 3gpw h PRO 144 N -0.84 0.00 -0.04 2.37 0.13 -1.77 -0.18 132.00 131.67 3gpw h PRO 144 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3gpw h PRO 144 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3gpw h PRO 144 CO 0.01 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.41 3gpw n LYS 145 N -2.62 1.96 -3.96 0.86 5.02 -0.84 -4.72 118.16 113.86 3gpw n LYS 145 Ca -0.02 -1.39 -0.35 0.00 -2.02 0.00 0.00 58.31 54.52 3gpw n LYS 145 Cb 0.09 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.51 3gpw n LYS 145 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gpw s THR 146 N -1.98 4.18 0.42 -0.18 2.01 -0.16 -5.01 115.64 114.92 3gpw s THR 146 Ca 0.34 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 3gpw s THR 146 Cb 0.21 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 3gpw s THR 146 CO 0.32 0.40 0.65 0.42 -0.69 0.00 0.00 174.62 175.72 3gpw s THR 147 N 1.13 4.64 0.33 -0.82 -4.23 -1.26 -0.59 115.64 114.83 3gpw s THR 147 Ca 0.03 -0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.25 3gpw s THR 147 Cb -0.14 -3.72 0.29 0.00 1.34 0.00 0.00 72.50 70.27 3gpw s THR 147 CO 0.02 -0.54 1.91 0.58 -0.54 0.00 0.00 174.62 176.05 3gpw h VAL 148 N 0.49 0.99 0.64 2.29 2.07 -1.98 -0.25 116.25 120.51 3gpw h VAL 148 Ca -0.48 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 3gpw h VAL 148 Cb 1.23 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3gpw h VAL 148 CO 0.60 0.16 -0.31 1.56 0.02 0.00 0.00 177.57 179.60 3gpw h GLN 149 N 0.88 -0.83 -0.32 1.57 7.50 -1.98 0.15 115.11 122.07 3gpw h GLN 149 Ca 0.39 0.06 0.06 0.00 0.50 0.00 0.00 58.65 59.66 3gpw h GLN 149 Cb 0.36 0.19 -0.06 0.00 0.05 0.00 0.00 27.48 28.02 3gpw h GLN 149 CO -0.16 -0.52 -0.06 0.28 -1.50 0.00 0.00 178.83 176.87 3gpw h VAL 150 N -1.01 0.70 0.20 -0.54 2.07 -1.87 -1.22 116.25 114.59 3gpw h VAL 150 Ca -0.09 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3gpw h VAL 150 Cb 0.70 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3gpw h VAL 150 CO 0.15 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.60 3gpw h ALA 151 N 1.31 -0.33 0.00 1.67 0.00 -1.00 -0.77 119.26 120.15 3gpw h ALA 151 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gpw h ALA 151 Cb 0.23 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gpw h ALA 151 CO -0.31 -0.69 -0.03 1.49 0.00 0.00 0.00 179.25 179.70 3gpw h GLU 152 N -0.34 0.00 0.01 0.00 4.81 -0.48 -1.57 114.58 117.00 3gpw h GLU 152 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3gpw h GLU 152 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3gpw h GLU 152 CO 0.01 0.03 -0.00 1.49 -0.73 0.00 0.00 179.01 179.80 3gpw h GLU 153 N 0.00 -0.01 -0.12 1.92 4.81 -0.68 -0.79 114.58 119.71 3gpw h GLU 153 Ca -0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3gpw h GLU 153 Cb 0.05 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 3gpw h GLU 153 CO 0.00 0.46 -0.26 0.00 -0.73 0.00 0.00 179.01 178.48 3gpw h ALA 154 N 0.50 -0.26 -0.99 2.92 0.00 -0.48 -0.54 119.26 120.41 3gpw h ALA 154 Ca -0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3gpw h ALA 154 Cb 0.48 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3gpw h ALA 154 CO 0.00 -0.73 0.64 0.82 0.00 0.00 0.00 179.25 179.98 3gpw h ILE 155 N -0.33 1.12 -0.20 0.00 2.04 -1.36 -0.73 117.51 118.05 3gpw h ILE 155 Ca 0.10 -0.41 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 3gpw h ILE 155 Cb 0.48 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3gpw h ILE 155 CO -0.31 0.22 -0.39 0.58 0.00 0.00 0.00 178.15 178.24 3gpw h VAL 156 N 1.19 1.30 -0.38 1.67 2.07 -0.34 -2.16 116.25 119.60 3gpw h VAL 156 Ca 0.41 -1.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.28 3gpw h VAL 156 Cb 0.11 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3gpw h VAL 156 CO -0.16 0.47 -0.28 -1.13 0.02 0.00 0.00 177.57 176.50 3gpw h ASN 157 N 0.37 0.91 -1.00 0.57 -0.73 -0.73 -2.84 115.58 112.14 3gpw h ASN 157 Ca 0.04 -0.44 0.03 0.00 1.87 0.00 0.00 56.30 57.80 3gpw h ASN 157 Cb 0.85 -0.25 -0.06 0.00 0.27 0.00 0.00 38.32 39.13 3gpw h ASN 157 CO 0.07 1.15 0.65 0.00 -0.37 0.00 0.00 177.43 178.94 3gpw h ALA 158 N 0.78 1.33 -0.43 1.57 0.00 -0.93 -0.90 119.26 120.68 3gpw h ALA 158 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3gpw h ALA 158 Cb 0.85 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3gpw h ALA 158 CO 0.07 0.58 0.10 0.52 0.00 0.00 0.00 179.25 180.53 3gpw h MET 159 N 1.28 0.65 0.02 0.00 2.86 -1.22 -0.92 114.93 117.61 3gpw h MET 159 Ca 0.39 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3gpw h MET 159 Cb -0.04 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.51 3gpw h MET 159 CO -0.11 0.60 -0.01 -0.09 1.06 0.00 0.00 176.91 178.35 3gpw h ARG 160 N 0.63 -0.03 -0.81 1.72 2.43 -0.98 -2.16 114.38 115.17 3gpw h ARG 160 Ca 0.14 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 3gpw h ARG 160 Cb 0.25 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 3gpw h ARG 160 CO -0.00 0.34 0.44 0.28 -1.51 0.00 0.00 179.97 179.51 3gpw h VAL 161 N -0.41 0.82 -0.11 0.20 2.07 -0.92 0.14 116.25 118.04 3gpw h VAL 161 Ca -0.00 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3gpw h VAL 161 Cb 0.38 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3gpw h VAL 161 CO 0.01 0.13 -0.14 -0.07 0.02 0.00 0.00 177.57 177.51 3gpw h LEU 162 N 0.69 0.16 -0.83 2.57 3.38 -1.08 -0.74 115.31 119.47 3gpw h LEU 162 Ca 0.42 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 3gpw h LEU 162 Cb 0.48 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3gpw h LEU 162 CO -0.30 0.32 -0.30 0.22 0.09 0.00 0.00 178.44 178.47 3gpw h TYR 163 N 0.17 0.00 -0.01 1.13 3.20 -0.11 0.01 116.97 121.36 3gpw h TYR 163 Ca 0.03 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3gpw h TYR 163 Cb 0.35 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.63 3gpw h TYR 163 CO 0.00 0.30 -0.31 1.88 -1.64 0.00 0.00 178.16 178.39 3gpw h TYR 164 N 0.00 0.33 -0.00 -3.82 0.05 0.11 -3.40 116.97 110.24 3gpw h TYR 164 Ca -0.00 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.60 3gpw h TYR 164 Cb 0.91 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.61 3gpw h TYR 164 CO 0.00 0.97 -0.52 0.54 -1.05 0.00 0.00 178.16 178.10 3gpw n ARG 165 N -4.46 2.97 -3.40 4.88 5.12 -0.66 -4.93 116.66 116.19 3gpw n ARG 165 Ca -0.10 -0.09 -0.41 0.00 -1.93 0.00 0.00 57.85 55.32 3gpw n ARG 165 Cb 0.53 -1.07 -0.09 0.00 -1.16 0.00 0.00 32.46 30.67 3gpw n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3gpw s ASP 166 N -2.04 6.17 0.00 0.55 3.68 -0.01 -4.95 116.67 120.07 3gpw s ASP 166 Ca 0.05 -0.39 0.16 0.00 2.13 0.00 0.00 52.55 54.50 3gpw s ASP 166 Cb 0.09 -2.20 0.87 0.00 -1.45 0.00 0.00 42.92 40.24 3gpw s ASP 166 CO 0.46 -0.39 1.45 0.00 0.13 0.00 0.00 175.17 176.82 3gpw n ALA 167 N 5.39 1.96 -1.56 3.66 0.00 -1.26 -2.64 120.51 126.07 3gpw n ALA 167 Ca -0.09 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.28 3gpw n ALA 167 Cb 0.49 -1.27 0.20 0.00 0.00 0.00 0.00 19.45 18.88 3gpw n ALA 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gpw n ARG 168 N -1.20 1.70 -4.27 0.00 5.12 -1.26 -5.04 116.66 111.71 3gpw n ARG 168 Ca 0.09 -3.28 -0.25 0.00 -1.93 0.00 0.00 57.85 52.48 3gpw n ARG 168 Cb 0.11 -1.70 -0.08 0.00 -1.16 0.00 0.00 32.46 29.63 3gpw n ARG 168 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3gpw s SER 169 N -2.99 4.51 0.26 0.55 1.04 -1.08 -4.59 113.70 111.40 3gpw s SER 169 Ca 0.41 -0.56 0.09 0.00 0.48 0.00 0.00 55.95 56.36 3gpw s SER 169 Cb 0.38 -0.85 -0.04 0.00 0.10 0.00 0.00 66.02 65.61 3gpw s SER 169 CO -0.05 0.05 0.04 -0.55 0.98 0.00 0.00 173.24 173.72 3gpw s SER 170 N -3.25 4.79 0.37 7.02 0.15 -1.26 -5.01 113.70 116.51 3gpw s SER 170 Ca 0.28 -0.54 0.22 0.00 0.70 0.00 0.00 55.95 56.61 3gpw s SER 170 Cb -0.08 -0.99 0.24 0.00 -1.71 0.00 0.00 66.02 63.48 3gpw s SER 170 CO 0.18 -0.00 1.48 -0.09 1.20 0.00 0.00 173.24 176.01 3gpw h ARG 171 N 1.85 0.00 -6.05 5.44 2.43 -1.97 -3.46 114.38 112.63 3gpw h ARG 171 Ca -0.45 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.11 3gpw h ARG 171 Cb 1.24 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.75 3gpw h ARG 171 CO 0.60 0.07 -0.28 -0.80 -1.51 0.00 0.00 179.97 178.06 3gpw s ASN 172 N -6.10 6.61 0.26 -3.80 -0.87 -1.26 -1.99 114.94 107.79 3gpw s ASN 172 Ca 0.05 0.74 -0.20 0.00 -1.57 0.00 0.00 52.86 51.87 3gpw s ASN 172 Cb 0.06 -2.16 0.02 0.00 -0.02 0.00 0.00 41.25 39.16 3gpw s ASN 172 CO 0.70 0.20 0.67 0.72 -2.57 0.00 0.00 177.10 176.82 3gpw s PHE 173 N -1.36 -0.19 0.06 2.20 -0.12 -0.94 -1.14 117.98 116.49 3gpw s PHE 173 Ca 0.31 -0.23 0.07 0.00 -0.05 0.00 0.00 56.93 57.03 3gpw s PHE 173 Cb -0.14 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 3gpw s PHE 173 CO 0.17 -1.15 -0.15 -1.12 -0.05 0.00 0.00 175.22 172.93 3gpw s SER 174 N -2.90 4.06 0.02 1.98 0.01 -0.59 -1.25 113.70 115.03 3gpw s SER 174 Ca 0.11 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.00 3gpw s SER 174 Cb -0.05 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.44 3gpw s SER 174 CO 0.04 0.24 -0.08 -0.22 0.41 0.00 0.00 173.24 173.63 3gpw s LEU 175 N -1.66 2.14 -0.01 2.44 0.20 -0.12 -2.15 118.68 119.53 3gpw s LEU 175 Ca 0.17 -0.35 -0.01 0.00 0.69 0.00 0.00 54.13 54.62 3gpw s LEU 175 Cb -0.11 -0.27 0.00 0.00 -0.43 0.00 0.00 46.19 45.39 3gpw s LEU 175 CO 0.08 -0.06 0.03 0.00 -0.29 0.00 0.00 176.35 176.10 3gpw s ALA 176 N -0.80 -0.06 -0.03 5.97 0.00 -0.05 0.15 121.76 126.94 3gpw s ALA 176 Ca -0.04 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.09 3gpw s ALA 176 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3gpw s ALA 176 CO 0.00 -0.02 -0.25 0.42 0.00 0.00 0.00 175.76 175.92 3gpw s ILE 177 N 0.07 2.16 -0.31 0.00 1.01 0.32 -1.40 121.20 123.05 3gpw s ILE 177 Ca -0.00 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.59 3gpw s ILE 177 Cb -0.01 -1.76 0.10 0.00 0.01 0.00 0.00 42.46 40.80 3gpw s ILE 177 CO -0.00 0.58 0.07 -0.63 0.00 0.00 0.00 174.94 174.96 3gpw s ILE 178 N -0.53 1.39 -0.13 2.92 1.01 -0.58 0.07 121.20 125.35 3gpw s ILE 178 Ca 0.07 -1.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.00 3gpw s ILE 178 Cb -0.11 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 3gpw s ILE 178 CO 0.00 -0.60 -0.02 -0.62 0.00 0.00 0.00 174.94 173.70 3gpw s ASP 179 N 1.36 4.98 0.00 3.58 -1.08 0.13 -1.72 116.67 123.93 3gpw s ASP 179 Ca 0.09 -0.02 0.05 0.00 -0.52 0.00 0.00 52.55 52.15 3gpw s ASP 179 Cb -0.18 -1.64 0.24 0.00 -1.46 0.00 0.00 42.92 39.88 3gpw s ASP 179 CO -0.18 0.25 1.07 2.29 0.52 0.00 0.00 175.17 179.12 3gpw n LYS 180 N 3.00 0.04 -0.03 4.34 2.85 -0.12 -0.41 118.16 127.83 3gpw n LYS 180 Ca -0.18 0.31 -0.07 0.00 -1.05 0.00 0.00 58.31 57.33 3gpw n LYS 180 Cb 0.53 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.38 3gpw n LYS 180 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gpw n ASN 181 N -1.38 1.15 -0.27 -5.58 3.02 -1.26 -4.74 115.26 106.20 3gpw n ASN 181 Ca 0.02 0.06 0.13 0.00 -0.03 0.00 0.00 54.58 54.76 3gpw n ASN 181 Cb 0.05 -0.18 0.43 0.00 -0.61 0.00 0.00 39.78 39.47 3gpw n ASN 181 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gpw n THR 18 N -3.17 0.00 -3.87 3.41 -2.24 -1.20 -5.05 114.28 102.15 3gpw n THR 18 Ca -0.13 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3gpw n THR 18 Cb 0.60 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 3gpw n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gpw n GLY 183 N 1.31 0.02 3.55 3.38 0.00 0.45 -4.77 105.19 109.12 3gpw n GLY 183 Ca 0.13 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 3gpw n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gpw s LEU 184 N 0.00 3.74 -0.24 0.99 0.20 -1.26 0.20 118.68 122.30 3gpw s LEU 184 Ca 0.00 -0.06 -0.02 0.00 0.69 0.00 0.00 54.13 54.74 3gpw s LEU 184 Cb 0.00 -2.00 0.02 0.00 -0.43 0.00 0.00 46.19 43.78 3gpw s LEU 184 CO 0.00 0.02 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.12 3gpw s THR 185 N 1.30 2.92 -0.34 3.68 2.01 0.11 -4.97 115.64 120.35 3gpw s THR 185 Ca 0.06 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 3gpw s THR 185 Cb -0.15 -2.44 0.05 0.00 0.01 0.00 0.00 72.50 69.98 3gpw s THR 185 CO 0.05 0.26 0.09 0.12 -0.69 0.00 0.00 174.62 174.46 3gpw s PHE 186 N 1.35 3.29 -0.29 4.92 2.19 -1.26 -0.52 117.98 127.66 3gpw s PHE 186 Ca 0.02 -1.65 -0.14 0.00 0.33 0.00 0.00 56.93 55.49 3gpw s PHE 186 Cb -0.16 -2.36 -0.03 0.00 -1.31 0.00 0.00 43.02 39.16 3gpw s PHE 186 CO -0.05 -0.78 0.32 0.15 1.83 0.00 0.00 175.22 176.69 3gpw s LYS 187 N 1.34 3.86 0.22 10.12 1.02 0.12 -4.99 119.74 131.43 3gpw s LYS 187 Ca -0.02 -0.21 0.07 0.00 0.02 0.00 0.00 55.97 55.83 3gpw s LYS 187 Cb -0.20 -3.70 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 3gpw s LYS 187 CO 0.01 -0.32 0.15 0.15 -0.92 0.00 0.00 175.35 174.42 3gpw s LYS 188 N 1.96 2.84 -1.26 1.68 1.02 -1.26 -0.94 119.74 123.78 3gpw s LYS 188 Ca 0.12 -1.03 -0.08 0.00 0.02 0.00 0.00 55.97 54.99 3gpw s LYS 188 Cb -0.16 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 3gpw s LYS 188 CO 0.11 0.43 1.10 0.09 -0.92 0.00 0.00 175.35 176.16 3gpw n ASN 189 N -0.85 -6.09 -4.88 2.83 4.13 -1.23 -5.01 115.26 104.16 3gpw n ASN 189 Ca -0.08 -0.50 -0.30 0.00 1.68 0.00 0.00 54.58 55.38 3gpw n ASN 189 Cb 0.57 -4.72 0.06 0.00 -1.54 0.00 0.00 39.78 34.15 3gpw n ASN 189 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3gpw s LEU 190 N -6.87 2.79 -0.02 3.41 1.02 -0.38 -4.88 118.68 113.76 3gpw s LEU 190 Ca 0.55 1.08 -0.06 0.00 0.02 0.00 0.00 54.13 55.71 3gpw s LEU 190 Cb -0.24 -3.80 0.01 0.00 0.02 0.00 0.00 46.19 42.17 3gpw s LEU 190 CO 0.68 -1.51 0.14 -1.10 0.02 0.00 0.00 176.35 174.58 3gpw s GLN 191 N -5.38 0.37 0.09 1.70 -0.21 -1.26 -2.22 119.66 112.74 3gpw s GLN 191 Ca 0.59 -0.18 -0.31 0.00 0.02 0.00 0.00 55.36 55.48 3gpw s GLN 191 Cb -0.11 0.16 -0.07 0.00 1.00 0.00 0.00 33.01 33.98 3gpw s GLN 191 CO 0.51 -0.08 1.32 0.08 -2.12 0.00 0.00 175.29 175.00 3gpw s VAL 192 N -0.84 3.58 0.28 1.09 1.01 -0.84 -4.99 120.40 119.68 3gpw s VAL 192 Ca -0.09 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.04 3gpw s VAL 192 Cb -0.05 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3gpw s VAL 192 CO 0.01 0.09 0.10 -1.61 0.00 0.00 0.00 175.10 173.69 3gpw s GLU 193 N 1.08 1.47 -1.27 2.72 0.41 -1.26 -4.90 118.70 116.96 3gpw s GLU 193 Ca 0.62 -1.81 -0.03 0.00 -0.41 0.00 0.00 54.97 53.35 3gpw s GLU 193 Cb -0.34 -0.29 0.01 0.00 -1.78 0.00 0.00 34.13 31.72 3gpw s GLU 193 CO 0.30 -0.32 1.00 0.09 -0.49 0.00 0.00 175.26 175.84 3gpw n ASN 194 N -0.58 -2.98 -4.90 -0.19 3.02 -1.26 -5.00 115.26 103.38 3gpw n ASN 194 Ca -0.00 -0.64 -0.28 0.00 -0.03 0.00 0.00 54.58 53.63 3gpw n ASN 194 Cb 0.66 -4.90 -0.01 0.00 -0.61 0.00 0.00 39.78 34.92 3gpw n ASN 194 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3gpw s MET 195 N -5.72 3.63 -0.29 3.52 -1.94 -1.26 -5.07 119.30 112.17 3gpw s MET 195 Ca 0.16 0.25 -0.05 0.00 -1.71 0.00 0.00 55.69 54.34 3gpw s MET 195 Cb -0.07 -2.42 0.02 0.00 2.01 0.00 0.00 34.83 34.37 3gpw s MET 195 CO 0.75 -0.09 0.05 0.15 -0.01 0.00 0.00 175.02 175.86 3gpw s LYS 196 N -4.29 2.87 0.00 2.03 1.02 -1.26 -4.89 119.74 115.22 3gpw s LYS 196 Ca 0.48 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.48 3gpw s LYS 196 Cb -0.10 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 3gpw s LYS 196 CO 0.38 -0.50 0.00 0.91 -0.92 0.00 0.00 175.35 175.23 3gpw n TRP 197 N 4.79 0.00 -0.30 3.18 7.02 -1.26 -4.87 117.44 126.00 3gpw n TRP 197 Ca -0.14 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.43 3gpw n TRP 197 Cb 0.47 0.00 0.25 0.00 -2.42 0.00 0.00 31.31 29.60 3gpw n TRP 197 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3gpw h ASP 198 N 0.00 0.44 0.00 -0.99 1.82 -2.05 0.28 116.42 115.92 3gpw h ASP 198 Ca 0.00 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 3gpw h ASP 198 Cb 0.00 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.07 3gpw h ASP 198 CO 0.00 0.14 0.00 2.22 -1.61 0.00 0.00 179.24 179.99 3gpw n PHE 199 N -4.94 0.21 0.14 0.28 -1.74 -1.26 -1.77 117.46 108.38 3gpw n PHE 199 Ca 0.18 0.11 0.04 0.00 -0.56 0.00 0.00 57.45 57.22 3gpw n PHE 199 Cb 0.51 -0.67 0.44 0.00 1.52 0.00 0.00 39.48 41.27 3gpw n PHE 199 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3gpw h ALA 200 N 1.99 1.60 -0.04 1.98 0.00 -1.31 -2.68 119.26 120.80 3gpw h ALA 200 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3gpw h ALA 200 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gpw h ALA 200 CO 0.00 0.29 -0.28 1.57 0.00 0.00 0.00 179.25 180.83 3gpw h LYS 201 N 0.18 0.07 0.00 0.00 2.10 -1.54 -2.45 116.57 114.93 3gpw h LYS 201 Ca 0.04 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3gpw h LYS 201 Cb 0.30 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3gpw h LYS 201 CO 0.02 0.35 0.00 -0.25 -2.00 0.00 0.00 179.45 177.56 3gpw n ASP 202 N -4.18 0.00 -4.50 7.07 10.43 -1.01 -4.72 116.55 119.64 3gpw n ASP 202 Ca -0.02 -0.02 -0.38 0.00 2.57 0.00 0.00 54.79 56.95 3gpw n ASP 202 Cb 0.34 -0.32 -0.12 0.00 1.84 0.00 0.00 41.12 42.87 3gpw n ASP 202 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3gpw s ILE 203 N -2.63 4.75 0.05 0.53 1.01 -0.92 -5.07 121.20 118.91 3gpw s ILE 203 Ca 0.24 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.80 3gpw s ILE 203 Cb 0.18 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3gpw s ILE 203 CO 0.43 0.24 -0.07 -1.59 0.00 0.00 0.00 174.94 173.94 3gpw s LYS 204 N 1.67 0.58 2.33 2.79 0.00 -1.26 -5.02 119.74 120.83 3gpw s LYS 204 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 55.97 55.16 3gpw s LYS 204 Cb -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 37.83 37.41 3gpw s LYS 204 CO 0.07 0.03 0.00 0.41 0.00 0.00 0.00 175.35 175.86 3gpw n GLY 205 N 1.16 -0.32 1.47 0.59 0.00 -1.26 -4.59 105.19 102.24 3gpw n GLY 205 Ca -0.21 -1.02 0.03 0.00 0.00 0.00 0.00 46.02 44.83 3gpw n GLY 205 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gpw n TYR 206 N -0.60 0.00 0.00 1.61 0.18 -1.26 -5.01 117.16 112.08 3gpw n TYR 206 Ca 0.00 -0.50 0.00 0.00 1.88 0.00 0.00 57.90 59.28 3gpw n TYR 206 Cb 0.00 -0.11 0.00 0.00 -0.38 0.00 0.00 39.34 38.85 3gpw n TYR 206 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3gpw n GLY 207 N 0.47 -1.23 0.01 -7.48 0.00 -1.26 -4.99 105.19 90.71 3gpw n GLY 207 Ca 0.04 0.43 0.11 0.00 0.00 0.00 0.00 46.02 46.60 3gpw n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gpw n THR 208 N 0.00 0.04 -1.84 2.61 -2.24 -1.26 -4.98 114.28 106.62 3gpw n THR 208 Ca 0.00 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 3gpw n THR 208 Cb 0.00 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 3gpw n THR 208 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3gpw s GLN 209 N -3.37 4.14 -0.12 -0.78 0.74 -1.26 -4.95 119.66 114.07 3gpw s GLN 209 Ca -0.03 2.53 0.16 0.00 0.05 0.00 0.00 55.36 58.07 3gpw s GLN 209 Cb 0.14 -3.00 -0.24 0.00 1.10 0.00 0.00 33.01 31.02 3gpw s GLN 209 CO 0.89 -0.52 0.18 1.63 -0.55 0.00 0.00 175.29 176.91 3gpw n LYS 210 N 1.03 0.99 0.00 1.67 5.02 -1.26 -4.67 118.16 120.94 3gpw n LYS 210 Ca 0.03 -0.06 0.06 0.00 -2.02 0.00 0.00 58.31 56.32 3gpw n LYS 210 Cb 0.39 -1.44 0.05 0.00 -0.02 0.00 0.00 35.03 34.01 3gpw n LYS 210 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32