#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpw s LEU 2 N 0.00 4.37 0.30 -0.89 2.96 -1.26 -4.97 118.68 119.19 1gpw s LEU 2 Ca 0.00 2.72 -0.16 0.00 -0.22 0.00 0.00 54.13 56.47 1gpw s LEU 2 Cb 0.00 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 1gpw s LEU 2 CO 0.00 -0.77 0.74 0.00 -1.32 0.00 0.00 176.35 174.99 1gpw s ALA 3 N 0.19 3.34 0.20 5.97 0.00 -1.26 -4.95 121.76 125.25 1gpw s ALA 3 Ca 0.62 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 1gpw s ALA 3 Cb -0.44 -2.79 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 1gpw s ALA 3 CO 0.42 0.33 1.05 0.15 0.00 0.00 0.00 175.76 177.71 1gpw s LYS 4 N -2.72 4.66 0.03 0.00 -0.14 0.49 -4.95 119.74 117.10 1gpw s LYS 4 Ca 0.51 1.65 -0.01 0.00 -1.36 0.00 0.00 55.97 56.76 1gpw s LYS 4 Cb -0.12 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.71 1gpw s LYS 4 CO 0.18 0.20 0.19 1.03 -0.76 0.00 0.00 175.35 176.19 1gpw s ARG 5 N -0.63 3.40 -0.30 1.68 0.52 -0.63 -4.28 118.95 118.71 1gpw s ARG 5 Ca 0.47 -0.39 -0.07 0.00 -0.52 0.00 0.00 55.73 55.22 1gpw s ARG 5 Cb -0.28 -3.05 0.02 0.00 0.52 0.00 0.00 34.95 32.16 1gpw s ARG 5 CO 0.35 0.64 0.08 0.42 0.02 0.00 0.00 175.30 176.81 1gpw s ILE 6 N -1.40 3.88 -0.07 1.52 -1.09 -1.26 -1.00 121.20 121.78 1gpw s ILE 6 Ca 0.31 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1gpw s ILE 6 Cb -0.13 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.68 1gpw s ILE 6 CO 0.23 0.03 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.25 1gpw s ILE 7 N 1.47 3.55 -0.20 2.92 1.01 0.41 -1.79 121.20 128.57 1gpw s ILE 7 Ca 0.02 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 1gpw s ILE 7 Cb -0.18 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 1gpw s ILE 7 CO 0.02 0.59 -0.01 0.00 0.00 0.00 0.00 174.94 175.55 1gpw s ALA 8 N -0.72 3.01 -0.11 9.38 0.00 -0.96 -1.78 121.76 130.58 1gpw s ALA 8 Ca 0.11 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 1gpw s ALA 8 Cb -0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1gpw s ALA 8 CO 0.01 -0.14 0.18 0.00 0.00 0.00 0.00 175.76 175.81 1gpw s LEU 10 N -0.97 2.97 -0.08 0.00 1.43 0.02 -4.45 118.68 117.60 1gpw s LEU 10 Ca 0.16 -1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 51.54 1gpw s LEU 10 Cb -0.13 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 1gpw s LEU 10 CO 0.05 -0.28 1.02 0.20 0.23 0.00 0.00 176.35 177.57 1gpw s ASN 11 N 1.31 7.25 0.12 2.29 0.01 -1.26 -1.39 114.94 123.27 1gpw s ASN 11 Ca -0.01 1.58 0.07 0.00 -0.71 0.00 0.00 52.86 53.78 1gpw s ASN 11 Cb -0.19 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 1gpw s ASN 11 CO -0.09 -0.43 -0.15 0.68 -1.51 0.00 0.00 177.10 175.60 1gpw s VAL 12 N 1.87 1.44 -0.03 1.60 -7.23 0.46 -1.67 120.40 116.84 1gpw s VAL 12 Ca 0.50 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1gpw s VAL 12 Cb -0.19 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.21 1gpw s VAL 12 CO 0.20 -0.35 0.06 -0.75 -0.31 0.00 0.00 175.10 173.95 1gpw s LYS 13 N -2.55 0.04 -1.50 4.82 2.20 0.61 -1.66 119.74 121.69 1gpw s LYS 13 Ca 0.09 0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 55.79 1gpw s LYS 13 Cb -0.06 -0.06 0.05 0.00 -1.51 0.00 0.00 37.83 36.24 1gpw s LYS 13 CO 0.04 -0.07 0.12 -0.25 -0.36 0.00 0.00 175.35 174.83 1gpw n ASP 14 N 3.47 0.34 0.00 1.43 8.00 -1.26 -0.56 116.55 127.96 1gpw n ASP 14 Ca -0.18 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.15 1gpw n ASP 14 Cb 0.56 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 1gpw n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gpw n GLY 15 N -2.16 2.46 3.62 0.44 0.00 -1.26 -5.02 105.19 103.27 1gpw n GLY 15 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1gpw n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gpw s ARG 16 N -0.13 2.02 -0.02 1.61 0.52 0.27 -4.42 118.95 118.80 1gpw s ARG 16 Ca 0.00 -1.85 -0.24 0.00 -0.52 0.00 0.00 55.73 53.12 1gpw s ARG 16 Cb 0.00 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 1gpw s ARG 16 CO 0.00 0.09 0.73 0.08 0.02 0.00 0.00 175.30 176.22 1gpw s VAL 17 N -2.57 4.93 0.08 3.52 1.01 0.30 -0.29 120.40 127.38 1gpw s VAL 17 Ca 0.35 1.53 0.10 0.00 0.00 0.00 0.00 61.98 63.96 1gpw s VAL 17 Cb 0.02 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1gpw s VAL 17 CO 0.19 0.29 -0.26 0.68 0.00 0.00 0.00 175.10 176.00 1gpw s VAL 18 N 0.48 2.12 -0.23 2.92 -7.23 -0.67 0.11 120.40 117.90 1gpw s VAL 18 Ca 0.38 -1.52 -0.05 0.00 -1.81 0.00 0.00 61.98 58.98 1gpw s VAL 18 Cb -0.19 -1.85 0.12 0.00 0.56 0.00 0.00 36.38 35.02 1gpw s VAL 18 CO 0.20 0.23 0.44 -0.75 -0.31 0.00 0.00 175.10 174.92 1gpw s LYS 19 N -1.57 0.38 0.00 4.82 2.20 -0.36 -4.50 119.74 120.70 1gpw s LYS 19 Ca 0.12 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1gpw s LYS 19 Cb -0.10 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1gpw s LYS 19 CO 0.04 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 1gpw n GLY 20 N 5.39 4.32 0.00 5.54 0.00 -1.26 -3.53 105.19 115.65 1gpw n GLY 20 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1gpw n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1gpw n THR 21 N 0.00 0.00 -1.51 2.61 -1.04 -1.26 -5.04 114.28 108.03 1gpw n THR 21 Ca 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1gpw n THR 21 Cb 0.00 1.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 1gpw n THR 21 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1gpw n ASN 22 N -0.19 0.00 -0.20 8.00 2.85 -1.26 -4.91 115.26 119.55 1gpw n ASN 22 Ca 0.00 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.58 1gpw n ASN 22 Cb 0.04 0.00 0.42 0.00 1.24 0.00 0.00 39.78 41.48 1gpw n ASN 22 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1gpw h PHE 23 N 0.00 0.67 0.00 1.20 0.05 -1.98 -3.04 116.94 113.84 1gpw h PHE 23 Ca 0.00 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1gpw h PHE 23 Cb 0.00 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 37.73 1gpw h PHE 23 CO 0.00 0.29 0.00 0.39 -0.18 0.00 0.00 178.31 178.81 1gpw n GLU 24 N -4.51 0.00 -2.33 1.51 -0.58 -1.26 -0.65 120.64 112.83 1gpw n GLU 24 Ca 0.14 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.58 1gpw n GLU 24 Cb 0.41 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.29 1gpw n GLU 24 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1gpw n ASN 25 N 0.00 5.40 -4.56 1.62 0.23 -1.25 -5.02 115.26 111.68 1gpw n ASN 25 Ca 0.00 -3.75 -0.50 0.00 -0.53 0.00 0.00 54.58 49.80 1gpw n ASN 25 Cb 0.00 -0.60 -0.06 0.00 -2.08 0.00 0.00 39.78 37.04 1gpw n ASN 25 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1gpw n LEU 26 N -0.50 2.68 -4.81 -4.53 7.94 0.18 -4.73 117.00 113.23 1gpw n LEU 26 Ca 0.43 0.60 -0.22 0.00 -1.11 0.00 0.00 56.01 55.71 1gpw n LEU 26 Cb 0.57 -1.32 -0.05 0.00 0.53 0.00 0.00 43.42 43.15 1gpw n LEU 26 CO 0.38 -0.51 -0.13 -0.13 -1.11 0.00 0.00 177.39 175.89 1gpw s ARG 27 N 5.40 2.63 -0.32 1.96 3.00 -1.23 -4.95 118.95 125.45 1gpw s ARG 27 Ca 1.03 -1.35 -0.25 0.00 0.00 0.00 0.00 55.73 55.15 1gpw s ARG 27 Cb -0.76 -2.39 0.01 0.00 0.00 0.00 0.00 34.95 31.81 1gpw s ARG 27 CO 0.49 0.13 0.89 0.34 0.00 0.00 0.00 175.30 177.16 1gpw s ASP 28 N -3.93 6.75 -0.29 0.23 -1.08 -1.26 -1.23 116.67 115.87 1gpw s ASP 28 Ca 0.39 0.78 0.09 0.00 -0.52 0.00 0.00 52.55 53.29 1gpw s ASP 28 Cb -0.05 -2.46 0.52 0.00 -1.46 0.00 0.00 42.92 39.47 1gpw s ASP 28 CO 0.25 -0.72 1.48 -1.20 0.52 0.00 0.00 175.17 175.50 1gpw n SER 29 N 6.46 2.64 0.00 -0.34 7.64 0.30 -4.92 113.62 125.40 1gpw n SER 29 Ca 0.07 -3.71 0.00 0.00 1.01 0.00 0.00 58.87 56.24 1gpw n SER 29 Cb 0.48 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1gpw n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gpw n GLY 30 N -1.08 -1.57 3.63 0.23 0.00 -1.24 -4.77 105.19 100.40 1gpw n GLY 30 Ca 0.33 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1gpw n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gpw s ASP 31 N -0.07 6.74 0.23 1.61 2.15 -1.26 -0.54 116.67 125.52 1gpw s ASP 31 Ca 0.00 0.88 -0.08 0.00 0.43 0.00 0.00 52.55 53.78 1gpw s ASP 31 Cb 0.00 -2.41 0.36 0.00 -0.30 0.00 0.00 42.92 40.58 1gpw s ASP 31 CO 0.00 -0.51 1.69 1.55 -0.17 0.00 0.00 175.17 177.73 1gpw h PRO 32 N 7.83 0.24 0.76 4.34 0.13 -1.90 -1.91 132.00 141.48 1gpw h PRO 32 Ca -0.24 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1gpw h PRO 32 Cb 1.10 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.18 1gpw h PRO 32 CO 0.85 0.16 -0.37 0.28 -0.23 0.00 0.00 178.00 178.69 1gpw h VAL 33 N 0.25 0.24 -0.16 1.56 2.07 -1.92 -1.92 116.25 116.37 1gpw h VAL 33 Ca 0.36 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.86 1gpw h VAL 33 Cb 0.58 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1gpw h VAL 33 CO -0.47 0.00 0.10 -0.08 0.02 0.00 0.00 177.57 177.15 1gpw h GLU 34 N -1.05 0.17 -0.04 1.57 4.57 -1.94 -1.29 114.58 116.56 1gpw h GLU 34 Ca -0.10 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 57.89 1gpw h GLU 34 Cb 0.79 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1gpw h GLU 34 CO 0.17 0.11 -0.75 1.25 -1.18 0.00 0.00 179.01 178.61 1gpw h LEU 35 N 0.17 0.34 -0.56 1.64 5.85 -1.25 -2.56 115.31 118.93 1gpw h LEU 35 Ca 0.06 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 1gpw h LEU 35 Cb 0.04 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1gpw h LEU 35 CO -0.01 0.97 -0.27 1.23 -0.34 0.00 0.00 178.44 180.02 1gpw h GLY 36 N 1.54 0.95 2.00 3.75 0.00 -0.44 -0.95 103.07 109.92 1gpw h GLY 36 Ca -0.03 -0.86 -0.07 0.00 0.00 0.00 0.00 47.33 46.37 1gpw h GLY 36 CO 0.12 0.78 -0.32 0.50 0.00 0.00 0.00 176.54 177.62 1gpw h LYS 37 N 0.74 0.00 -0.02 4.80 1.57 -1.26 -1.15 116.57 121.25 1gpw h LYS 37 Ca 0.09 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.62 1gpw h LYS 37 Cb 0.82 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.14 1gpw h LYS 37 CO 0.07 0.32 -0.97 0.35 -0.57 0.00 0.00 179.45 178.66 1gpw h PHE 38 N 0.00 0.90 -0.25 -1.35 3.57 -1.12 -2.75 116.94 115.94 1gpw h PHE 38 Ca -0.00 -0.47 -0.07 0.00 3.53 0.00 0.00 57.97 60.96 1gpw h PHE 38 Cb 0.57 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1gpw h PHE 38 CO 0.00 1.30 -0.12 1.88 -2.23 0.00 0.00 178.31 179.14 1gpw h TYR 39 N 0.36 0.45 0.00 0.41 0.05 -0.71 -2.32 116.97 115.22 1gpw h TYR 39 Ca -0.10 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.62 1gpw h TYR 39 Cb 1.61 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 39.22 1gpw h TYR 39 CO 0.09 0.54 0.00 1.03 -1.05 0.00 0.00 178.16 178.77 1gpw h SER 40 N 0.40 0.00 0.76 3.88 0.87 -1.17 -1.66 113.55 116.63 1gpw h SER 40 Ca 0.08 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.39 1gpw h SER 40 Cb 0.46 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1gpw h SER 40 CO 0.03 0.00 -1.29 -0.33 -0.53 0.00 0.00 176.83 174.70 1gpw h GLU 41 N 0.00 0.03 0.00 2.24 5.08 -1.11 -3.34 114.58 117.48 1gpw h GLU 41 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1gpw h GLU 41 Cb 0.72 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1gpw h GLU 41 CO 0.00 0.85 -0.51 0.44 -1.00 0.00 0.00 179.01 178.80 1gpw n ILE 42 N -3.27 0.16 0.00 3.13 -5.35 -1.08 -4.96 119.36 107.99 1gpw n ILE 42 Ca -0.07 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1gpw n ILE 42 Cb 0.99 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 1gpw n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gpw n GLY 43 N 1.43 1.09 3.75 3.28 0.00 -1.18 -4.09 105.19 109.47 1gpw n GLY 43 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1gpw n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gpw s ILE 44 N -1.98 2.23 -0.14 -0.61 -1.09 -0.63 -4.92 121.20 114.05 1gpw s ILE 44 Ca 0.00 0.19 0.16 0.00 -2.23 0.00 0.00 60.65 58.78 1gpw s ILE 44 Cb 0.00 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.71 1gpw s ILE 44 CO 0.00 0.03 1.08 0.44 -1.23 0.00 0.00 174.94 175.27 1gpw h ASP 45 N 4.67 0.00 -5.06 3.58 3.32 -1.68 -3.43 116.42 117.83 1gpw h ASP 45 Ca -0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1gpw h ASP 45 Cb 1.22 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.65 1gpw h ASP 45 CO 0.77 0.51 0.02 -1.61 -1.72 0.00 0.00 179.24 177.21 1gpw s GLU 46 N -2.97 1.17 -0.01 3.56 2.02 -1.24 -4.45 118.70 116.79 1gpw s GLU 46 Ca -0.00 -0.67 0.07 0.00 0.02 0.00 0.00 54.97 54.39 1gpw s GLU 46 Cb 0.08 0.51 -0.02 0.00 0.10 0.00 0.00 34.13 34.80 1gpw s GLU 46 CO 0.78 -0.48 -0.22 -0.51 0.02 0.00 0.00 175.26 174.85 1gpw s LEU 47 N -2.80 2.06 -0.19 1.80 1.43 -0.83 -2.27 118.68 117.88 1gpw s LEU 47 Ca 0.03 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1gpw s LEU 47 Cb 0.01 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 45.14 1gpw s LEU 47 CO -0.11 0.26 -0.14 -0.69 0.23 0.00 0.00 176.35 175.90 1gpw s VAL 48 N -0.55 1.84 -0.36 -1.59 1.01 -0.65 -0.57 120.40 119.53 1gpw s VAL 48 Ca 0.08 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 1gpw s VAL 48 Cb -0.09 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1gpw s VAL 48 CO -0.00 0.31 0.26 -0.36 0.00 0.00 0.00 175.10 175.30 1gpw s PHE 49 N 1.33 3.23 -0.38 5.22 0.08 -0.26 -0.80 117.98 126.40 1gpw s PHE 49 Ca 0.01 -0.30 -0.06 0.00 0.12 0.00 0.00 56.93 56.69 1gpw s PHE 49 Cb -0.15 -2.51 0.07 0.00 -0.57 0.00 0.00 43.02 39.86 1gpw s PHE 49 CO -0.10 -0.41 0.17 -0.51 -0.10 0.00 0.00 175.22 174.27 1gpw s LEU 50 N 1.71 4.78 -0.03 -0.37 1.02 -0.49 -1.98 118.68 123.33 1gpw s LEU 50 Ca 0.06 -1.46 -0.11 0.00 0.02 0.00 0.00 54.13 52.64 1gpw s LEU 50 Cb -0.18 -1.89 -0.05 0.00 0.02 0.00 0.00 46.19 44.09 1gpw s LEU 50 CO 0.10 -0.45 0.30 -0.62 0.02 0.00 0.00 176.35 175.71 1gpw s ASP 51 N 1.76 6.62 -0.07 2.29 -1.08 -0.89 -0.41 116.67 124.89 1gpw s ASP 51 Ca 0.02 0.73 0.10 0.00 -0.52 0.00 0.00 52.55 52.88 1gpw s ASP 51 Cb -0.22 -2.16 0.15 0.00 -1.46 0.00 0.00 42.92 39.23 1gpw s ASP 51 CO 0.01 0.33 1.07 2.30 0.52 0.00 0.00 175.17 179.41 1gpw n ILE 52 N 1.72 0.97 -1.28 4.11 -5.35 -0.67 -4.58 119.36 114.28 1gpw n ILE 52 Ca -0.15 -1.16 -0.39 0.00 -0.27 0.00 0.00 62.75 60.77 1gpw n ILE 52 Cb 0.53 0.12 0.01 0.00 -1.74 0.00 0.00 39.64 38.57 1gpw n ILE 52 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1gpw n THR 53 N -0.74 0.34 0.00 7.28 -1.04 -1.26 -4.79 114.28 114.07 1gpw n THR 53 Ca 0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1gpw n THR 53 Cb 0.67 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1gpw n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gpw n ALA 54 N -1.43 0.00 0.00 2.41 0.00 -1.26 -4.58 120.51 115.65 1gpw n ALA 54 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1gpw n ALA 54 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1gpw n ALA 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gpw n SER 55 N -1.37 0.00 -0.16 0.00 7.64 -1.26 -4.89 113.62 113.57 1gpw n SER 55 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1gpw n SER 55 Cb 0.00 0.00 0.43 0.00 -1.01 0.00 0.00 64.21 63.63 1gpw n SER 55 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1gpw h VAL 56 N 0.00 0.90 -0.00 0.44 -1.51 -2.03 0.23 116.25 114.28 1gpw h VAL 56 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1gpw h VAL 56 Cb 0.00 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 29.45 1gpw h VAL 56 CO 0.00 0.10 -0.21 -0.62 -1.23 0.00 0.00 177.57 175.61 1gpw n GLU 57 N -4.49 0.37 -0.22 5.19 -0.58 -1.26 -4.30 120.64 115.35 1gpw n GLU 57 Ca 0.12 -0.15 0.03 0.00 -0.42 0.00 0.00 57.16 56.74 1gpw n GLU 57 Cb 0.38 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 29.89 1gpw n GLU 57 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1gpw h LYS 58 N 0.36 0.26 -0.19 3.49 3.64 -0.78 -1.05 116.57 122.30 1gpw h LYS 58 Ca 0.00 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1gpw h LYS 58 Cb 0.44 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1gpw h LYS 58 CO 0.00 0.17 -0.39 -0.09 -2.27 0.00 0.00 179.45 176.87 1gpw h ARG 59 N 0.27 0.44 0.00 1.90 2.43 -1.75 -2.81 114.38 114.86 1gpw h ARG 59 Ca 0.36 -0.21 -0.20 0.00 -0.81 0.00 0.00 59.98 59.11 1gpw h ARG 59 Cb 0.56 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1gpw h ARG 59 CO -0.44 0.76 -1.31 0.87 -1.51 0.00 0.00 179.97 178.34 1gpw h LYS 60 N 0.36 0.00 -0.07 0.20 1.57 -1.77 -3.26 116.57 113.60 1gpw h LYS 60 Ca 0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1gpw h LYS 60 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1gpw h LYS 60 CO 0.07 0.49 -0.61 1.15 -0.57 0.00 0.00 179.45 179.98 1gpw h THR 61 N 0.00 1.39 -0.28 -0.16 2.02 -1.21 -2.77 112.91 111.90 1gpw h THR 61 Ca -0.15 -2.00 -0.17 0.00 0.77 0.00 0.00 66.41 64.86 1gpw h THR 61 Cb 1.72 2.01 -0.00 0.00 -1.74 0.00 0.00 68.15 70.14 1gpw h THR 61 CO 0.07 0.59 -0.49 0.24 0.37 0.00 0.00 175.52 176.30 1gpw h MET 62 N 0.18 0.78 -0.67 6.66 2.07 -1.61 -1.76 114.93 120.58 1gpw h MET 62 Ca -0.01 -0.46 -0.06 0.00 -2.07 0.00 0.00 59.70 57.10 1gpw h MET 62 Cb 1.12 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.87 1gpw h MET 62 CO 0.10 1.09 0.16 -0.07 1.07 0.00 0.00 176.91 179.25 1gpw h LEU 63 N 0.61 1.01 -0.71 1.22 3.38 -1.59 -0.91 115.31 118.33 1gpw h LEU 63 Ca 0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1gpw h LEU 63 Cb 1.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1gpw h LEU 63 CO 0.11 0.98 0.31 -0.08 0.09 0.00 0.00 178.44 179.85 1gpw h GLU 64 N 1.00 1.04 0.26 1.13 4.81 -1.40 -1.99 114.58 119.42 1gpw h GLU 64 Ca 0.21 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1gpw h GLU 64 Cb 0.36 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1gpw h GLU 64 CO 0.00 0.83 -0.12 1.25 -0.73 0.00 0.00 179.01 180.24 1gpw h LEU 65 N 1.00 -0.29 -0.05 1.64 5.85 -0.82 -1.00 115.31 121.63 1gpw h LEU 65 Ca 0.24 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.96 1gpw h LEU 65 Cb 0.16 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1gpw h LEU 65 CO -0.03 -0.15 -0.27 0.58 -0.34 0.00 0.00 178.44 178.23 1gpw h VAL 66 N -0.41 0.38 -0.50 1.05 2.07 -1.06 -0.89 116.25 116.90 1gpw h VAL 66 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1gpw h VAL 66 Cb 0.31 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1gpw h VAL 66 CO 0.06 0.00 0.22 -0.08 0.02 0.00 0.00 177.57 177.79 1gpw h GLU 67 N -0.38 0.42 -0.88 1.57 4.81 -1.31 0.39 114.58 119.19 1gpw h GLU 67 Ca 0.08 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1gpw h GLU 67 Cb 0.49 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1gpw h GLU 67 CO -0.27 0.28 0.58 0.87 -0.73 0.00 0.00 179.01 179.74 1gpw h LYS 68 N 0.43 1.15 -0.06 1.92 1.79 -0.77 -2.93 116.57 118.10 1gpw h LYS 68 Ca 0.23 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1gpw h LYS 68 Cb 0.19 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1gpw h LYS 68 CO -0.19 0.76 -0.10 0.28 -1.08 0.00 0.00 179.45 179.12 1gpw h VAL 69 N 1.18 1.41 -0.40 0.50 2.07 -0.62 -3.29 116.25 117.09 1gpw h VAL 69 Ca 0.33 -1.36 0.12 0.00 0.82 0.00 0.00 66.70 66.60 1gpw h VAL 69 Cb -0.11 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1gpw h VAL 69 CO -0.08 0.38 0.36 0.00 0.02 0.00 0.00 177.57 178.24 1gpw h ALA 70 N 0.50 2.21 -0.00 1.67 0.00 -0.12 0.16 119.26 123.67 1gpw h ALA 70 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gpw h ALA 70 Cb 0.66 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1gpw h ALA 70 CO 0.02 -0.56 -0.24 -0.85 0.00 0.00 0.00 179.25 177.62 1gpw n GLU 71 N -4.03 0.41 0.00 0.00 0.28 -1.12 -4.35 120.64 111.83 1gpw n GLU 71 Ca 0.07 -0.18 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1gpw n GLU 71 Cb 0.54 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.91 1gpw n GLU 71 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1gpw n GLN 72 N -1.14 2.17 -2.86 3.44 6.02 -0.45 -5.08 117.38 119.49 1gpw n GLN 72 Ca 0.10 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.72 1gpw n GLN 72 Cb 0.32 -0.86 -0.06 0.00 1.02 0.00 0.00 30.24 30.66 1gpw n GLN 72 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1gpw s ILE 73 N -1.55 4.28 -0.16 5.09 -1.09 -0.08 -4.97 121.20 122.71 1gpw s ILE 73 Ca 0.00 1.74 0.17 0.00 -2.23 0.00 0.00 60.65 60.33 1gpw s ILE 73 Cb 0.00 -4.02 0.37 0.00 -1.58 0.00 0.00 42.46 37.23 1gpw s ILE 73 CO 0.00 0.22 1.25 -0.90 -1.23 0.00 0.00 174.94 174.28 1gpw n ASP 74 N 0.77 2.95 -4.18 3.58 5.68 -1.26 -4.92 116.55 119.16 1gpw n ASP 74 Ca 0.00 -2.99 -0.11 0.00 -0.50 0.00 0.00 54.79 51.19 1gpw n ASP 74 Cb 0.50 -0.45 -0.10 0.00 -1.14 0.00 0.00 41.12 39.92 1gpw n ASP 74 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1gpw s ILE 75 N -2.74 0.57 0.57 2.12 -4.36 -1.26 -5.15 121.20 110.95 1gpw s ILE 75 Ca 0.35 -1.93 -0.19 0.00 -0.26 0.00 0.00 60.65 58.61 1gpw s ILE 75 Cb 0.29 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.10 1gpw s ILE 75 CO 0.05 -0.71 1.21 -2.84 0.24 0.00 0.00 174.94 172.90 1gpw s PRO 76 N -3.90 3.10 -0.04 0.37 0.02 -1.26 -4.91 135.00 128.39 1gpw s PRO 76 Ca 0.17 1.83 -0.09 0.00 0.02 0.00 0.00 61.00 62.93 1gpw s PRO 76 Cb 0.06 -2.01 0.01 0.00 0.02 0.00 0.00 34.50 32.59 1gpw s PRO 76 CO -0.02 -1.10 0.21 -0.59 -0.33 0.00 0.00 177.00 175.17 1gpw s PHE 77 N -1.58 -0.13 0.11 6.54 -0.71 -1.26 -1.96 117.98 118.99 1gpw s PHE 77 Ca 0.75 0.27 0.06 0.00 -1.04 0.00 0.00 56.93 56.97 1gpw s PHE 77 Cb -0.30 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.50 1gpw s PHE 77 CO 0.34 -0.23 -0.02 0.99 -1.34 0.00 0.00 175.22 174.96 1gpw s THR 78 N -0.70 3.83 0.01 -4.49 2.01 0.26 -2.20 115.64 114.37 1gpw s THR 78 Ca -0.08 -1.13 0.05 0.00 0.31 0.00 0.00 61.69 60.83 1gpw s THR 78 Cb -0.04 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 1gpw s THR 78 CO 0.01 0.07 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.18 1gpw s VAL 79 N -1.38 1.14 0.13 3.82 1.01 -0.36 -1.10 120.40 123.66 1gpw s VAL 79 Ca 0.25 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 1gpw s VAL 79 Cb -0.11 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.36 1gpw s VAL 79 CO 0.17 0.18 1.10 -0.83 0.00 0.00 0.00 175.10 175.73 1gpw s GLY 80 N -0.71 0.02 0.00 4.51 0.00 -0.84 -0.06 107.32 110.24 1gpw s GLY 80 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1gpw s GLY 80 CO 0.00 2.90 0.00 0.61 0.00 0.00 0.00 173.10 176.61 1gpw n GLY 81 N -0.72 0.32 1.09 0.20 0.00 -1.25 -2.11 105.19 102.72 1gpw n GLY 81 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1gpw n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gpw n GLY 82 N 0.48 0.67 3.42 -0.02 0.00 -1.26 -4.64 105.19 103.83 1gpw n GLY 82 Ca 0.00 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 1gpw n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gpw s ILE 83 N -2.00 4.64 -2.83 -0.61 1.01 -1.26 -4.90 121.20 115.25 1gpw s ILE 83 Ca 0.00 -0.64 0.23 0.00 0.00 0.00 0.00 60.65 60.24 1gpw s ILE 83 Cb 0.00 -4.53 0.25 0.00 0.01 0.00 0.00 42.46 38.18 1gpw s ILE 83 CO 0.00 -1.19 1.29 1.41 0.00 0.00 0.00 174.94 176.44 1gpw n HIS 84 N 6.83 0.13 -3.84 3.97 8.25 -1.26 -4.65 115.22 124.65 1gpw n HIS 84 Ca -0.07 -0.06 -0.07 0.00 -0.26 0.00 0.00 57.72 57.26 1gpw n HIS 84 Cb 0.44 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.55 1gpw n HIS 84 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1gpw s ASP 85 N -1.84 -0.16 0.24 0.41 1.47 -1.26 -4.92 116.67 110.60 1gpw s ASP 85 Ca 0.30 -0.77 -0.07 0.00 1.18 0.00 0.00 52.55 53.19 1gpw s ASP 85 Cb 0.20 0.74 0.23 0.00 -0.34 0.00 0.00 42.92 43.76 1gpw s ASP 85 CO 0.30 -1.41 1.90 0.15 0.68 0.00 0.00 175.17 176.79 1gpw h PHE 86 N 2.00 1.22 0.41 2.11 3.57 -1.96 -2.61 116.94 121.69 1gpw h PHE 86 Ca -0.24 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 1gpw h PHE 86 Cb 1.25 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1gpw h PHE 86 CO 0.76 0.79 -0.35 0.93 -2.23 0.00 0.00 178.31 178.21 1gpw h GLU 87 N 1.29 -0.72 -0.82 1.11 3.07 -1.99 0.42 114.58 116.94 1gpw h GLU 87 Ca 0.34 0.05 0.20 0.00 -0.50 0.00 0.00 59.36 59.45 1gpw h GLU 87 Cb -0.10 0.16 -0.12 0.00 -0.84 0.00 0.00 28.75 27.85 1gpw h GLU 87 CO -0.07 -0.48 0.25 1.15 -1.40 0.00 0.00 179.01 178.46 1gpw h THR 88 N -0.75 0.44 -0.04 1.13 2.02 -1.96 -1.36 112.91 112.40 1gpw h THR 88 Ca -0.05 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1gpw h THR 88 Cb 0.63 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1gpw h THR 88 CO -0.01 0.05 0.02 0.00 0.37 0.00 0.00 175.52 175.95 1gpw h ALA 89 N 1.69 0.05 -0.08 6.16 0.00 -1.17 -2.64 119.26 123.26 1gpw h ALA 89 Ca 0.49 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1gpw h ALA 89 Cb 0.92 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1gpw h ALA 89 CO -0.56 -0.38 -0.03 1.03 0.00 0.00 0.00 179.25 179.31 1gpw h SER 90 N -0.09 0.10 0.47 0.00 0.87 0.07 -1.34 113.55 113.63 1gpw h SER 90 Ca 0.01 -0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.34 1gpw h SER 90 Cb 0.15 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1gpw h SER 90 CO -0.00 0.15 -0.98 -0.33 -0.53 0.00 0.00 176.83 175.15 1gpw h GLU 91 N 0.11 0.32 -0.35 2.24 5.08 -1.19 -0.83 114.58 119.96 1gpw h GLU 91 Ca 0.03 -0.37 -0.16 0.00 -1.00 0.00 0.00 59.36 57.86 1gpw h GLU 91 Cb 0.13 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1gpw h GLU 91 CO 0.01 1.08 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.62 1gpw h LEU 92 N 0.16 0.97 -0.12 1.33 3.38 -1.09 0.63 115.31 120.58 1gpw h LEU 92 Ca -0.08 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.31 1gpw h LEU 92 Cb 1.63 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1gpw h LEU 92 CO 0.16 1.25 -0.33 0.40 0.09 0.00 0.00 178.44 180.02 1gpw h ILE 93 N 0.70 1.38 -0.06 1.22 2.04 -1.29 -1.41 117.51 120.09 1gpw h ILE 93 Ca 0.05 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.21 1gpw h ILE 93 Cb 1.00 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1gpw h ILE 93 CO 0.10 0.48 -0.26 -0.07 0.00 0.00 0.00 178.15 178.40 1gpw h LEU 94 N 0.00 0.10 -1.63 1.44 3.38 -1.17 -2.22 115.31 115.21 1gpw h LEU 94 Ca -0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1gpw h LEU 94 Cb 0.94 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1gpw h LEU 94 CO 0.07 0.36 -0.11 -0.09 0.09 0.00 0.00 178.44 178.77 1gpw h ARG 95 N 0.10 0.00 0.00 1.13 9.65 -0.70 -3.46 114.38 121.10 1gpw h ARG 95 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1gpw h ARG 95 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1gpw h ARG 95 CO 0.04 0.11 0.00 0.41 2.80 0.00 0.00 179.97 183.33 1gpw n GLY 96 N -0.25 0.49 3.77 2.80 0.00 -0.84 -4.48 105.19 106.68 1gpw n GLY 96 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1gpw n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpw s ALA 97 N 0.00 3.25 0.01 4.61 0.00 -0.56 -4.86 121.76 124.22 1gpw s ALA 97 Ca 0.00 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.91 1gpw s ALA 97 Cb 0.00 -3.41 -0.32 0.00 0.00 0.00 0.00 23.12 19.39 1gpw s ALA 97 CO 0.00 -0.56 0.90 -0.44 0.00 0.00 0.00 175.76 175.66 1gpw h ASP 98 N 2.89 0.64 -5.11 0.00 3.32 -1.76 -3.41 116.42 112.99 1gpw h ASP 98 Ca -0.49 -0.78 -0.10 0.00 0.02 0.00 0.00 57.03 55.68 1gpw h ASP 98 Cb 1.23 -0.21 -0.16 0.00 0.22 0.00 0.00 39.33 40.42 1gpw h ASP 98 CO 0.63 1.63 -0.36 -0.54 -1.72 0.00 0.00 179.24 178.89 1gpw s LYS 99 N -2.61 0.79 0.18 3.56 1.02 -1.09 -4.62 119.74 116.97 1gpw s LYS 99 Ca -0.10 -0.77 0.11 0.00 0.02 0.00 0.00 55.97 55.23 1gpw s LYS 99 Cb 0.05 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.65 1gpw s LYS 99 CO 0.90 -0.24 -0.20 0.14 -0.92 0.00 0.00 175.35 175.02 1gpw s VAL 100 N -3.19 2.60 -0.12 3.17 -7.23 -0.66 -1.22 120.40 113.75 1gpw s VAL 100 Ca -0.00 -1.88 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 1gpw s VAL 100 Cb 0.02 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.72 1gpw s VAL 100 CO -0.07 -0.08 -0.23 -0.55 -0.31 0.00 0.00 175.10 173.86 1gpw s SER 101 N -2.62 3.07 -0.01 4.85 0.15 0.91 -0.98 113.70 119.07 1gpw s SER 101 Ca 0.21 -0.58 0.05 0.00 0.70 0.00 0.00 55.95 56.33 1gpw s SER 101 Cb -0.08 -1.41 -0.01 0.00 -1.71 0.00 0.00 66.02 62.80 1gpw s SER 101 CO 0.11 0.12 -0.15 0.27 1.20 0.00 0.00 173.24 174.78 1gpw s ILE 102 N 0.59 1.21 0.00 6.45 -4.36 -0.75 -3.87 121.20 120.47 1gpw s ILE 102 Ca -0.13 -0.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 1gpw s ILE 102 Cb -0.17 -1.01 0.00 0.00 1.25 0.00 0.00 42.46 42.54 1gpw s ILE 102 CO 0.03 0.34 0.00 -3.20 0.24 0.00 0.00 174.94 172.36 1gpw n ASN 103 N 2.72 0.00 -0.33 4.36 4.05 -1.26 -1.84 115.26 122.96 1gpw n ASN 103 Ca -0.14 0.00 0.04 0.00 0.45 0.00 0.00 54.58 54.93 1gpw n ASN 103 Cb 0.55 0.00 0.19 0.00 1.23 0.00 0.00 39.78 41.75 1gpw n ASN 103 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 1gpw h THR 104 N 0.00 0.94 0.00 -0.44 2.02 -1.92 -0.50 112.91 113.01 1gpw h THR 104 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1gpw h THR 104 Cb 0.00 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.35 1gpw h THR 104 CO 0.00 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.06 1gpw h ALA 105 N 1.49 1.00 0.20 6.16 0.00 -1.91 -2.94 119.26 123.26 1gpw h ALA 105 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 55.05 1gpw h ALA 105 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1gpw h ALA 105 CO -0.24 0.00 -1.36 0.00 0.00 0.00 0.00 179.25 177.65 1gpw h ALA 106 N 2.33 -0.05 -0.42 0.00 0.00 -1.36 -2.95 119.26 116.81 1gpw h ALA 106 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 54.91 53.91 1gpw h ALA 106 Cb 0.64 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1gpw h ALA 106 CO 0.00 0.69 -0.16 0.28 0.00 0.00 0.00 179.25 180.06 1gpw h VAL 107 N -0.05 1.26 0.00 0.00 2.07 -1.33 -1.51 116.25 116.70 1gpw h VAL 107 Ca -0.25 -1.26 -0.14 0.00 0.82 0.00 0.00 66.70 65.87 1gpw h VAL 107 Cb 1.98 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1gpw h VAL 107 CO 0.20 0.43 -0.68 -0.33 0.02 0.00 0.00 177.57 177.20 1gpw h GLU 108 N 0.71 0.00 -2.29 1.57 5.08 -1.65 -3.39 114.58 114.60 1gpw h GLU 108 Ca 0.11 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.94 1gpw h GLU 108 Cb 0.67 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.56 1gpw h GLU 108 CO 0.05 0.68 -0.86 1.21 -1.00 0.00 0.00 179.01 179.09 1gpw s ASN 109 N -6.64 1.74 0.61 1.42 3.04 -1.11 -4.99 114.94 109.02 1gpw s ASN 109 Ca 0.01 -2.46 0.31 0.00 0.04 0.00 0.00 52.86 50.77 1gpw s ASN 109 Cb 0.10 -0.13 1.77 0.00 -1.54 0.00 0.00 41.25 41.45 1gpw s ASN 109 CO 0.77 -0.22 2.11 -0.65 -3.04 0.00 0.00 177.10 176.06 1gpw h PRO 110 N 6.29 0.00 0.00 0.43 0.11 -1.49 -0.49 132.00 136.85 1gpw h PRO 110 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1gpw h PRO 110 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1gpw h PRO 110 CO 0.28 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 178.84 1gpw h SER 111 N 0.00 0.00 -0.21 -2.05 0.02 -1.94 -2.43 113.55 106.95 1gpw h SER 111 Ca 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1gpw h SER 111 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1gpw h SER 111 CO -0.00 0.00 0.06 0.25 -1.14 0.00 0.00 176.83 176.00 1gpw h LEU 112 N 0.00 0.30 -0.56 5.07 5.85 -1.41 0.13 115.31 124.69 1gpw h LEU 112 Ca 0.00 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1gpw h LEU 112 Cb 0.20 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.05 1gpw h LEU 112 CO 0.00 0.43 -0.11 0.40 -0.34 0.00 0.00 178.44 178.82 1gpw h ILE 113 N 0.16 0.46 -0.42 4.05 2.04 -1.60 -1.11 117.51 121.09 1gpw h ILE 113 Ca 0.07 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1gpw h ILE 113 Cb 0.24 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1gpw h ILE 113 CO -0.00 0.00 0.16 0.74 0.00 0.00 0.00 178.15 179.06 1gpw h THR 114 N 0.02 1.20 -0.83 -0.27 2.02 -1.50 -2.23 112.91 111.32 1gpw h THR 114 Ca 0.27 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 66.91 1gpw h THR 114 Cb 0.42 0.83 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 1gpw h THR 114 CO -0.56 0.23 0.49 1.56 0.37 0.00 0.00 175.52 177.60 1gpw h GLN 115 N 0.53 0.82 -0.27 6.66 4.20 0.44 0.17 115.11 127.67 1gpw h GLN 115 Ca 0.14 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1gpw h GLN 115 Cb 0.19 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1gpw h GLN 115 CO -0.01 0.54 -0.29 0.82 -0.67 0.00 0.00 178.83 179.22 1gpw h ILE 116 N 0.85 1.31 -0.66 2.54 2.04 -1.16 -3.17 117.51 119.26 1gpw h ILE 116 Ca 0.38 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 1gpw h ILE 116 Cb 0.28 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1gpw h ILE 116 CO -0.22 0.46 0.40 0.00 0.00 0.00 0.00 178.15 178.80 1gpw h ALA 117 N 0.69 0.84 0.00 1.87 0.00 -0.87 0.10 119.26 121.89 1gpw h ALA 117 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gpw h ALA 117 Cb 0.86 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1gpw h ALA 117 CO 0.07 0.31 -0.01 1.96 0.00 0.00 0.00 179.25 181.58 1gpw h GLN 118 N 0.90 0.00 0.00 0.00 4.20 -0.99 0.82 115.11 120.03 1gpw h GLN 118 Ca 0.24 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.48 1gpw h GLN 118 Cb -0.03 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.68 1gpw h GLN 118 CO -0.04 0.01 -2.55 2.41 -0.67 0.00 0.00 178.83 177.99 1gpw n THR 119 N -4.13 1.53 0.43 -0.54 -1.04 -1.04 -4.72 114.28 104.77 1gpw n THR 119 Ca -0.03 -0.41 0.10 0.00 -2.04 0.00 0.00 64.05 61.68 1gpw n THR 119 Cb 0.10 -1.84 -0.14 0.00 -1.82 0.00 0.00 70.33 66.62 1gpw n THR 119 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1gpw n PHE 120 N -4.16 0.00 0.00 -1.42 3.72 0.34 -5.10 117.46 110.83 1gpw n PHE 120 Ca -0.54 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 1gpw n PHE 120 Cb 0.90 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 1gpw n PHE 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gpw n GLY 121 N 1.38 0.95 0.33 1.37 0.00 0.28 -4.56 105.19 104.93 1gpw n GLY 121 Ca -0.00 -1.51 0.28 0.00 0.00 0.00 0.00 46.02 44.79 1gpw n GLY 121 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gpw h SER 122 N 0.00 0.38 0.00 1.61 0.02 -1.78 0.41 113.55 114.19 1gpw h SER 122 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1gpw h SER 122 Cb 0.00 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1gpw h SER 122 CO 0.00 -0.32 0.34 0.00 -1.14 0.00 0.00 176.83 175.71 1gpw n GLN 123 N -5.19 0.07 -0.03 3.45 0.00 -1.26 -0.30 117.38 114.12 1gpw n GLN 123 Ca 0.35 0.52 0.07 0.00 0.00 0.00 0.00 57.00 57.94 1gpw n GLN 123 Cb 1.16 -2.07 0.08 0.00 0.00 0.00 0.00 30.24 29.41 1gpw n GLN 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gpw n ALA 124 N -1.50 2.44 -3.55 2.61 0.00 0.14 -4.82 120.51 115.84 1gpw n ALA 124 Ca -0.01 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.38 1gpw n ALA 124 Cb 0.35 -0.48 -0.14 0.00 0.00 0.00 0.00 19.45 19.18 1gpw n ALA 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1gpw s VAL 125 N -1.14 3.24 -0.15 0.00 1.01 0.58 -1.65 120.40 122.30 1gpw s VAL 125 Ca 0.18 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1gpw s VAL 125 Cb 0.12 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1gpw s VAL 125 CO 0.18 0.28 -0.08 -0.69 0.00 0.00 0.00 175.10 174.78 1gpw s VAL 126 N 1.42 3.41 -0.24 2.92 1.01 -0.15 -1.80 120.40 126.96 1gpw s VAL 126 Ca 0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1gpw s VAL 126 Cb -0.16 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1gpw s VAL 126 CO -0.03 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 174.94 1gpw s VAL 127 N 0.52 4.27 -0.12 2.92 1.01 -0.74 -1.80 120.40 126.45 1gpw s VAL 127 Ca -0.06 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 1gpw s VAL 127 Cb -0.15 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1gpw s VAL 127 CO 0.03 0.35 0.63 0.00 0.00 0.00 0.00 175.10 176.12 1gpw s ALA 128 N 1.51 3.44 -0.21 5.51 0.00 -0.77 -1.32 121.76 129.92 1gpw s ALA 128 Ca 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1gpw s ALA 128 Cb -0.15 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.11 1gpw s ALA 128 CO 0.03 -0.23 -0.15 0.42 0.00 0.00 0.00 175.76 175.84 1gpw s ILE 129 N 1.12 2.31 -0.31 0.00 1.01 0.12 -4.35 121.20 121.10 1gpw s ILE 129 Ca 0.32 -1.08 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 1gpw s ILE 129 Cb -0.16 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 1gpw s ILE 129 CO 0.14 0.35 0.20 -1.81 0.00 0.00 0.00 174.94 173.82 1gpw s ASP 130 N 1.27 5.96 0.16 3.58 1.01 -1.26 -1.34 116.67 126.05 1gpw s ASP 130 Ca 0.01 -0.25 0.07 0.00 0.71 0.00 0.00 52.55 53.09 1gpw s ASP 130 Cb -0.15 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1gpw s ASP 130 CO -0.09 -0.14 -0.14 0.00 0.21 0.00 0.00 175.17 175.00 1gpw s ALA 131 N 1.73 1.74 0.08 5.23 0.00 -0.58 -0.71 121.76 129.25 1gpw s ALA 131 Ca 0.06 -1.49 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 1gpw s ALA 131 Cb -0.17 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 22.92 1gpw s ALA 131 CO 0.10 0.07 0.42 0.21 0.00 0.00 0.00 175.76 176.56 1gpw s LYS 132 N -3.23 1.01 0.08 0.00 2.20 -0.68 -1.36 119.74 117.76 1gpw s LYS 132 Ca 0.16 -0.51 -0.28 0.00 -0.36 0.00 0.00 55.97 54.98 1gpw s LYS 132 Cb -0.02 0.45 -0.06 0.00 -1.51 0.00 0.00 37.83 36.69 1gpw s LYS 132 CO 0.04 -0.37 0.88 1.03 -0.36 0.00 0.00 175.35 176.58 1gpw s ARG 133 N -3.10 4.62 -0.19 4.03 0.52 -1.26 -0.62 118.95 122.95 1gpw s ARG 133 Ca -0.01 1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 56.46 1gpw s ARG 133 Cb 0.00 -3.37 0.08 0.00 0.52 0.00 0.00 34.95 32.19 1gpw s ARG 133 CO -0.07 0.24 0.20 0.08 0.02 0.00 0.00 175.30 175.77 1gpw s VAL 134 N -0.02 -0.29 -1.32 3.52 1.01 0.81 -4.87 120.40 119.25 1gpw s VAL 134 Ca 0.44 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1gpw s VAL 134 Cb -0.22 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1gpw s VAL 134 CO 0.27 -0.18 0.93 0.47 0.00 0.00 0.00 175.10 176.58 1gpw n ASP 135 N 5.31 -2.94 0.00 3.32 8.00 -1.26 -2.24 116.55 126.75 1gpw n ASP 135 Ca -0.06 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1gpw n ASP 135 Cb 0.49 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 1gpw n ASP 135 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gpw n GLY 136 N -1.53 2.34 3.60 0.44 0.00 -1.26 -5.01 105.19 103.77 1gpw n GLY 136 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1gpw n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gpw s GLU 137 N -0.02 2.16 -0.44 1.61 0.41 -0.95 -5.09 118.70 116.38 1gpw s GLU 137 Ca 0.00 -1.28 -0.22 0.00 -0.41 0.00 0.00 54.97 53.06 1gpw s GLU 137 Cb 0.00 -2.19 0.02 0.00 -1.78 0.00 0.00 34.13 30.19 1gpw s GLU 137 CO 0.00 0.42 0.73 -0.06 -0.49 0.00 0.00 175.26 175.87 1gpw s PHE 138 N -1.86 3.02 0.02 1.61 0.08 -1.26 -0.13 117.98 119.46 1gpw s PHE 138 Ca 0.27 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.42 1gpw s PHE 138 Cb -0.08 -3.54 -0.04 0.00 -0.57 0.00 0.00 43.02 38.78 1gpw s PHE 138 CO 0.17 -0.94 0.09 -1.64 -0.10 0.00 0.00 175.22 172.80 1gpw s MET 139 N 3.12 3.04 0.10 0.44 -1.94 0.21 -0.57 119.30 123.70 1gpw s MET 139 Ca 0.27 -0.54 -0.21 0.00 -1.71 0.00 0.00 55.69 53.51 1gpw s MET 139 Cb -0.13 -2.84 -0.07 0.00 2.01 0.00 0.00 34.83 33.81 1gpw s MET 139 CO 0.21 0.62 0.62 0.08 -0.01 0.00 0.00 175.02 176.54 1gpw s VAL 140 N -1.27 4.65 0.00 -6.03 1.01 -0.88 -1.69 120.40 116.19 1gpw s VAL 140 Ca 0.26 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.62 1gpw s VAL 140 Cb -0.12 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1gpw s VAL 140 CO 0.17 0.55 -0.15 -0.36 0.00 0.00 0.00 175.10 175.31 1gpw s PHE 141 N -1.12 1.30 0.38 5.22 0.40 0.11 -1.88 117.98 122.39 1gpw s PHE 141 Ca 0.31 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1gpw s PHE 141 Cb -0.20 -0.82 -0.00 0.00 0.51 0.00 0.00 43.02 42.51 1gpw s PHE 141 CO 0.21 -0.00 0.00 0.25 0.70 0.00 0.00 175.22 176.37 1gpw n THR 142 N 2.50 0.00 -3.56 0.64 -2.24 -0.60 -4.32 114.28 106.71 1gpw n THR 142 Ca -0.15 -1.78 -0.24 0.00 -2.27 0.00 0.00 64.05 59.60 1gpw n THR 142 Cb 0.55 0.36 0.05 0.00 -2.10 0.00 0.00 70.33 69.19 1gpw n THR 142 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1gpw n TYR 143 N -0.94 -2.08 -3.95 4.78 4.01 -1.26 -1.73 117.16 115.99 1gpw n TYR 143 Ca -0.16 0.67 -0.27 0.00 -0.16 0.00 0.00 57.90 57.98 1gpw n TYR 143 Cb 0.48 -3.88 -0.01 0.00 -0.31 0.00 0.00 39.34 35.62 1gpw n TYR 143 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1gpw n SER 144 N -2.93 -1.24 -0.34 7.72 7.64 -1.26 -1.61 113.62 121.59 1gpw n SER 144 Ca -0.14 -0.96 -0.04 0.00 1.01 0.00 0.00 58.87 58.74 1gpw n SER 144 Cb 0.62 -3.23 -0.02 0.00 -1.01 0.00 0.00 64.21 60.57 1gpw n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gpw n GLY 145 N -1.82 0.68 0.95 0.23 0.00 -0.96 -4.91 105.19 99.37 1gpw n GLY 145 Ca -0.22 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.56 1gpw n GLY 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gpw n LYS 146 N -2.11 2.18 -3.94 1.61 5.02 -0.64 -4.87 118.16 115.41 1gpw n LYS 146 Ca -0.04 -1.95 -0.17 0.00 -2.02 0.00 0.00 58.31 54.12 1gpw n LYS 146 Cb 0.24 -1.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.65 1gpw n LYS 146 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1gpw s LYS 147 N -1.67 0.35 -0.39 1.97 2.20 -0.90 -4.99 119.74 116.31 1gpw s LYS 147 Ca 0.29 0.07 -0.23 0.00 -0.36 0.00 0.00 55.97 55.74 1gpw s LYS 147 Cb 0.19 -0.53 0.01 0.00 -1.51 0.00 0.00 37.83 36.00 1gpw s LYS 147 CO 0.28 -0.14 0.79 1.21 -0.36 0.00 0.00 175.35 177.13 1gpw s ASN 148 N 1.06 6.51 0.33 1.43 3.04 -1.26 -1.56 114.94 124.49 1gpw s ASN 148 Ca -0.09 0.23 0.26 0.00 0.04 0.00 0.00 52.86 53.30 1gpw s ASN 148 Cb -0.14 -2.40 1.02 0.00 -1.54 0.00 0.00 41.25 38.19 1gpw s ASN 148 CO -0.02 -0.79 1.78 0.71 -3.04 0.00 0.00 177.10 175.74 1gpw h THR 149 N 5.83 0.00 0.00 -5.21 1.35 -1.75 -3.47 112.91 109.66 1gpw h THR 149 Ca -0.25 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1gpw h THR 149 Cb 1.09 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1gpw h THR 149 CO 0.93 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 1gpw n GLY 150 N 0.26 1.58 3.77 5.82 0.00 -1.26 -5.00 105.19 110.36 1gpw n GLY 150 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1gpw n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gpw s ILE 151 N -3.71 4.83 0.44 -0.61 1.01 -1.26 -4.99 121.20 116.91 1gpw s ILE 151 Ca 0.00 1.30 -0.21 0.00 0.00 0.00 0.00 60.65 61.74 1gpw s ILE 151 Cb 0.00 -3.95 -0.10 0.00 0.01 0.00 0.00 42.46 38.42 1gpw s ILE 151 CO 0.00 0.44 0.98 -0.76 0.00 0.00 0.00 174.94 175.61 1gpw s LEU 152 N -0.39 3.94 0.28 2.97 1.43 -1.26 -2.08 118.68 123.56 1gpw s LEU 152 Ca 0.32 1.79 -0.02 0.00 -1.03 0.00 0.00 54.13 55.18 1gpw s LEU 152 Cb -0.19 -4.50 0.38 0.00 0.03 0.00 0.00 46.19 41.91 1gpw s LEU 152 CO 0.18 -0.48 1.85 0.25 0.23 0.00 0.00 176.35 178.38 1gpw h LEU 153 N 1.90 0.85 -0.70 1.79 5.85 -1.16 -2.30 115.31 121.54 1gpw h LEU 153 Ca -0.49 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 1gpw h LEU 153 Cb 1.20 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1gpw h LEU 153 CO 0.61 0.77 0.40 0.08 -0.34 0.00 0.00 178.44 179.96 1gpw h ARG 154 N 0.91 0.97 -0.04 1.25 0.11 -1.93 -2.21 114.38 113.45 1gpw h ARG 154 Ca 0.21 -0.10 -0.21 0.00 0.10 0.00 0.00 59.98 59.98 1gpw h ARG 154 Cb 0.20 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1gpw h ARG 154 CO -0.02 0.71 -0.85 -0.44 0.10 0.00 0.00 179.97 179.48 1gpw h ASP 155 N 0.96 0.54 -0.50 0.08 3.32 -1.93 -3.31 116.42 115.58 1gpw h ASP 155 Ca 0.25 -0.40 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 1gpw h ASP 155 Cb 0.01 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1gpw h ASP 155 CO -0.04 1.18 -0.08 -0.25 -1.72 0.00 0.00 179.24 178.33 1gpw h TRP 156 N 0.27 1.05 -0.41 4.55 -0.00 -1.21 -0.21 115.95 119.99 1gpw h TRP 156 Ca -0.06 -0.21 -0.08 0.00 -0.00 0.00 0.00 58.89 58.54 1gpw h TRP 156 Cb 1.46 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 30.34 1gpw h TRP 156 CO 0.06 0.99 -0.07 -0.39 -0.00 0.00 0.00 178.44 179.03 1gpw h VAL 157 N 0.80 1.24 -0.11 2.65 -1.51 -1.53 0.44 116.25 118.24 1gpw h VAL 157 Ca 0.13 -1.05 -0.01 0.00 -1.23 0.00 0.00 66.70 64.54 1gpw h VAL 157 Cb 0.63 1.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1gpw h VAL 157 CO 0.04 0.36 0.02 0.58 -1.23 0.00 0.00 177.57 177.34 1gpw h VAL 158 N 0.64 1.21 -0.72 7.19 2.07 -1.61 -1.23 116.25 123.80 1gpw h VAL 158 Ca 0.12 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1gpw h VAL 158 Cb 0.50 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1gpw h VAL 158 CO 0.03 0.19 0.45 -0.08 0.02 0.00 0.00 177.57 178.18 1gpw h GLU 159 N -0.04 0.97 -0.23 1.57 4.57 -0.57 -1.21 114.58 119.65 1gpw h GLU 159 Ca 0.03 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1gpw h GLU 159 Cb 0.28 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1gpw h GLU 159 CO 0.00 0.67 0.07 0.28 -1.18 0.00 0.00 179.01 178.86 1gpw h VAL 160 N 0.98 0.94 -0.49 0.32 2.07 0.07 -1.23 116.25 118.91 1gpw h VAL 160 Ca 0.26 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.63 1gpw h VAL 160 Cb -0.06 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1gpw h VAL 160 CO -0.05 0.03 -0.06 -0.08 0.02 0.00 0.00 177.57 177.43 1gpw h GLU 161 N 0.18 0.87 -0.88 1.57 4.81 -0.98 -2.81 114.58 117.34 1gpw h GLU 161 Ca 0.10 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1gpw h GLU 161 Cb 0.07 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1gpw h GLU 161 CO -0.10 0.90 0.54 -0.22 -0.73 0.00 0.00 179.01 179.40 1gpw h LYS 162 N 0.79 1.18 0.00 1.92 3.64 -0.80 -1.77 116.57 121.54 1gpw h LYS 162 Ca 0.14 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1gpw h LYS 162 Cb 0.56 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1gpw h LYS 162 CO 0.03 0.82 0.00 0.00 -2.27 0.00 0.00 179.45 178.03 1gpw h ARG 163 N 1.21 0.00 0.00 1.90 2.47 -1.02 -3.47 114.38 115.47 1gpw h ARG 163 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 1gpw h ARG 163 Cb -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1gpw h ARG 163 CO -0.06 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.88 1gpw n GLY 164 N -0.07 1.01 3.53 0.04 0.00 -0.66 -3.50 105.19 105.53 1gpw n GLY 164 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1gpw n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpw n ALA 165 N -0.18 -0.63 0.73 4.61 0.00 -1.08 -4.43 120.51 119.53 1gpw n ALA 165 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1gpw n ALA 165 Cb 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 1gpw n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gpw n GLY 166 N 1.54 -0.16 3.56 0.00 0.00 -0.74 -4.79 105.19 104.59 1gpw n GLY 166 Ca 0.12 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1gpw n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gpw s GLU 167 N -2.08 0.70 -0.06 1.61 2.12 -1.15 -4.35 118.70 115.49 1gpw s GLU 167 Ca 0.11 0.08 0.06 0.00 0.36 0.00 0.00 54.97 55.58 1gpw s GLU 167 Cb 0.13 0.33 -0.01 0.00 0.26 0.00 0.00 34.13 34.84 1gpw s GLU 167 CO 0.48 -0.24 -0.23 0.42 -0.54 0.00 0.00 175.26 175.15 1gpw s ILE 168 N -1.50 1.90 -0.44 -3.70 1.01 -0.52 -1.80 121.20 116.15 1gpw s ILE 168 Ca -0.02 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 1gpw s ILE 168 Cb -0.00 -1.61 0.11 0.00 0.01 0.00 0.00 42.46 40.96 1gpw s ILE 168 CO 0.01 0.53 0.27 -0.22 0.00 0.00 0.00 174.94 175.53 1gpw s LEU 169 N -0.09 5.40 -0.43 2.97 0.20 -0.43 -0.67 118.68 125.63 1gpw s LEU 169 Ca -0.04 -1.85 -0.17 0.00 0.69 0.00 0.00 54.13 52.75 1gpw s LEU 169 Cb -0.13 -1.94 0.03 0.00 -0.43 0.00 0.00 46.19 43.71 1gpw s LEU 169 CO 0.04 -0.60 0.43 -0.22 -0.29 0.00 0.00 176.35 175.70 1gpw s LEU 170 N 1.30 4.94 -0.11 -0.68 2.96 -0.59 0.15 118.68 126.64 1gpw s LEU 170 Ca 0.06 -0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 53.20 1gpw s LEU 170 Cb -0.24 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 1gpw s LEU 170 CO -0.01 -0.59 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.50 1gpw s THR 171 N 2.09 3.92 -0.39 3.68 2.01 -0.45 -1.89 115.64 124.61 1gpw s THR 171 Ca 0.11 -0.37 -0.16 0.00 0.31 0.00 0.00 61.69 61.57 1gpw s THR 171 Cb -0.18 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.67 1gpw s THR 171 CO 0.13 0.55 0.41 -0.55 -0.69 0.00 0.00 174.62 174.46 1gpw s SER 172 N -0.25 6.19 0.45 3.53 0.15 -1.14 -1.53 113.70 121.11 1gpw s SER 172 Ca 0.04 -0.54 0.15 0.00 0.70 0.00 0.00 55.95 56.31 1gpw s SER 172 Cb -0.13 -2.21 1.09 0.00 -1.71 0.00 0.00 66.02 63.06 1gpw s SER 172 CO 0.02 -0.50 2.00 0.40 1.20 0.00 0.00 173.24 176.36 1gpw h ILE 173 N 5.66 0.89 -0.38 6.45 2.04 -1.58 -1.45 117.51 129.14 1gpw h ILE 173 Ca -0.27 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1gpw h ILE 173 Cb 1.12 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1gpw h ILE 173 CO 0.76 0.06 0.20 0.44 0.00 0.00 0.00 178.15 179.61 1gpw h ASP 174 N 0.34 0.32 0.15 1.72 3.32 -1.92 -3.23 116.42 117.12 1gpw h ASP 174 Ca 0.25 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1gpw h ASP 174 Cb 0.55 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1gpw h ASP 174 CO -0.06 0.23 -0.94 0.54 -1.72 0.00 0.00 179.24 177.29 1gpw n ARG 175 N -4.90 0.06 -1.64 3.56 5.12 -0.94 -4.92 116.66 113.00 1gpw n ARG 175 Ca 0.01 -0.01 -0.47 0.00 -1.93 0.00 0.00 57.85 55.45 1gpw n ARG 175 Cb 0.07 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 29.82 1gpw n ARG 175 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1gpw n ASP 176 N -1.58 3.38 0.00 0.55 2.03 -0.59 -1.74 116.55 118.60 1gpw n ASP 176 Ca 0.04 0.76 0.00 0.00 0.52 0.00 0.00 54.79 56.11 1gpw n ASP 176 Cb 0.35 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1gpw n ASP 176 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gpw n GLY 177 N 4.94 0.53 0.01 0.27 0.00 -1.26 -4.85 105.19 104.82 1gpw n GLY 177 Ca 0.26 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.32 1gpw n GLY 177 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gpw n THR 178 N -2.93 0.02 -1.12 2.61 -2.24 -0.71 -4.98 114.28 104.93 1gpw n THR 178 Ca 0.00 -0.10 -0.06 0.00 -2.27 0.00 0.00 64.05 61.62 1gpw n THR 178 Cb 0.00 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1gpw n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1gpw n LYS 179 N -1.67 -1.83 0.06 -0.78 5.02 -1.21 -4.81 118.16 112.94 1gpw n LYS 179 Ca 0.03 0.67 -0.07 0.00 -2.02 0.00 0.00 58.31 56.91 1gpw n LYS 179 Cb 0.38 -5.03 -0.12 0.00 -0.02 0.00 0.00 35.03 30.24 1gpw n LYS 179 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1gpw h SER 180 N 0.00 0.02 -4.06 4.39 4.64 -1.78 -3.35 113.55 113.41 1gpw h SER 180 Ca -0.12 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1gpw h SER 180 Cb 1.03 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1gpw h SER 180 CO 0.18 1.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.76 1gpw n GLY 181 N 1.36 4.36 3.77 -0.77 0.00 0.40 -4.92 105.19 109.39 1gpw n GLY 181 Ca -0.01 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1gpw n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gpw s TYR 182 N -2.06 2.63 -1.30 1.61 2.02 -1.26 -4.38 117.35 114.61 1gpw s TYR 182 Ca 0.00 1.55 -0.16 0.00 -0.37 0.00 0.00 57.07 58.09 1gpw s TYR 182 Cb 0.00 -3.12 0.10 0.00 -0.40 0.00 0.00 41.96 38.54 1gpw s TYR 182 CO 0.00 -1.70 1.74 -3.47 -1.57 0.00 0.00 175.55 170.56 1gpw n ASP 183 N -2.75 4.87 0.29 2.29 -0.08 -1.26 -4.79 116.55 115.12 1gpw n ASP 183 Ca 0.10 -2.94 0.14 0.00 -1.51 0.00 0.00 54.79 50.58 1gpw n ASP 183 Cb 0.52 -1.68 0.85 0.00 2.34 0.00 0.00 41.12 43.16 1gpw n ASP 183 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1gpw h THR 184 N 5.00 0.60 -0.12 5.18 1.35 -1.92 -2.34 112.91 120.65 1gpw h THR 184 Ca 0.43 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 66.17 1gpw h THR 184 Cb 0.82 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1gpw h THR 184 CO 1.48 0.02 -0.00 -0.08 -0.25 0.00 0.00 175.52 176.69 1gpw h GLU 185 N 0.00 0.22 -0.81 4.72 4.81 -1.99 -2.15 114.58 119.38 1gpw h GLU 185 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1gpw h GLU 185 Cb 0.06 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1gpw h GLU 185 CO 0.00 0.47 0.51 1.98 -0.73 0.00 0.00 179.01 181.25 1gpw h MET 186 N -0.05 1.08 -0.45 1.92 4.05 -1.84 -1.84 114.93 117.80 1gpw h MET 186 Ca 0.03 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1gpw h MET 186 Cb 0.38 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 1gpw h MET 186 CO 0.01 0.74 0.22 0.82 0.23 0.00 0.00 176.91 178.92 1gpw h ILE 187 N 1.11 1.18 -0.06 1.77 2.04 -1.33 -2.30 117.51 119.92 1gpw h ILE 187 Ca 0.29 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1gpw h ILE 187 Cb -0.08 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1gpw h ILE 187 CO -0.06 0.20 -0.33 0.03 0.00 0.00 0.00 178.15 177.99 1gpw h ARG 188 N 0.58 0.10 -0.38 2.37 3.08 -1.07 0.38 114.38 119.45 1gpw h ARG 188 Ca 0.15 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1gpw h ARG 188 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1gpw h ARG 188 CO -0.02 0.43 0.12 0.35 -1.07 0.00 0.00 179.97 179.77 1gpw h PHE 189 N 0.09 0.61 0.07 3.04 3.57 -0.96 -3.25 116.94 120.12 1gpw h PHE 189 Ca 0.01 -0.06 -0.25 0.00 3.53 0.00 0.00 57.97 61.20 1gpw h PHE 189 Cb 0.63 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1gpw h PHE 189 CO 0.00 0.58 -1.13 0.28 -2.23 0.00 0.00 178.31 175.82 1gpw h VAL 190 N 0.46 1.58 -0.75 1.41 2.07 -1.07 -3.39 116.25 116.56 1gpw h VAL 190 Ca 0.12 -3.15 0.14 0.00 0.82 0.00 0.00 66.70 64.63 1gpw h VAL 190 Cb 0.26 2.87 -0.14 0.00 -1.52 0.00 0.00 31.29 32.76 1gpw h VAL 190 CO -0.00 0.91 -0.26 -0.09 0.02 0.00 0.00 177.57 178.15 1gpw h ARG 191 N 0.05 -0.05 0.00 1.57 9.65 -0.96 -1.19 114.38 123.46 1gpw h ARG 191 Ca -0.08 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.73 1gpw h ARG 191 Cb 1.86 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.44 1gpw h ARG 191 CO 0.17 -0.03 -0.31 -1.00 2.80 0.00 0.00 179.97 181.60 1gpw h PRO 192 N -0.05 0.00 0.00 0.20 0.13 -1.75 -3.24 132.00 127.30 1gpw h PRO 192 Ca 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1gpw h PRO 192 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1gpw h PRO 192 CO -0.79 0.31 0.00 -0.07 -0.23 0.00 0.00 178.00 177.22 1gpw h LEU 193 N 0.00 0.00 -7.69 1.56 3.38 -1.41 -3.46 115.31 107.69 1gpw h LEU 193 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1gpw h LEU 193 Cb 0.74 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.34 1gpw h LEU 193 CO 0.04 0.00 -0.31 0.28 0.09 0.00 0.00 178.44 178.54 1gpw s THR 194 N -3.32 0.12 -1.57 0.22 -1.32 -1.19 -4.64 115.64 103.94 1gpw s THR 194 Ca 0.06 -0.95 0.19 0.00 -1.21 0.00 0.00 61.69 59.78 1gpw s THR 194 Cb 0.09 -1.15 -0.04 0.00 -1.51 0.00 0.00 72.50 69.89 1gpw s THR 194 CO 0.52 -0.52 0.92 0.41 -2.21 0.00 0.00 174.62 173.74 1gpw n THR 195 N 0.20 0.00 -2.16 5.08 -1.04 -1.26 -4.85 114.28 110.25 1gpw n THR 195 Ca -0.17 -0.25 -0.35 0.00 -2.04 0.00 0.00 64.05 61.24 1gpw n THR 195 Cb 0.61 1.18 0.01 0.00 -1.82 0.00 0.00 70.33 70.31 1gpw n THR 195 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1gpw s LEU 196 N -2.36 3.69 0.37 -4.42 1.43 -1.26 -4.97 118.68 111.15 1gpw s LEU 196 Ca 0.14 2.18 -0.28 0.00 -1.03 0.00 0.00 54.13 55.14 1gpw s LEU 196 Cb 0.15 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.68 1gpw s LEU 196 CO 0.53 -1.33 1.49 -2.84 0.23 0.00 0.00 176.35 174.44 1gpw s PRO 197 N -3.39 4.11 -0.18 1.29 0.02 -1.26 -4.85 135.00 130.73 1gpw s PRO 197 Ca 0.73 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 64.31 1gpw s PRO 197 Cb -0.24 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1gpw s PRO 197 CO 0.30 -0.54 -0.13 0.42 -0.33 0.00 0.00 177.00 176.72 1gpw s ILE 198 N -1.01 2.72 -0.29 2.83 1.01 -1.26 -1.44 121.20 123.76 1gpw s ILE 198 Ca 0.54 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 1gpw s ILE 198 Cb -0.47 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1gpw s ILE 198 CO 0.62 0.49 0.27 -0.63 0.00 0.00 0.00 174.94 175.69 1gpw s ILE 199 N 1.16 5.25 -0.05 2.92 1.01 0.16 -0.76 121.20 130.89 1gpw s ILE 199 Ca 0.01 0.27 -0.27 0.00 0.00 0.00 0.00 60.65 60.66 1gpw s ILE 199 Cb -0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1gpw s ILE 199 CO -0.05 0.17 0.88 0.00 0.00 0.00 0.00 174.94 175.94 1gpw s ALA 200 N 1.88 3.28 -0.03 9.38 0.00 0.21 -1.54 121.76 134.95 1gpw s ALA 200 Ca 0.10 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1gpw s ALA 200 Cb -0.16 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1gpw s ALA 200 CO 0.11 -0.28 -0.04 0.45 0.00 0.00 0.00 175.76 175.99 1gpw s SER 201 N 0.97 0.74 0.00 0.00 0.15 -0.79 -0.13 113.70 114.64 1gpw s SER 201 Ca 0.45 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1gpw s SER 201 Cb -0.19 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1gpw s SER 201 CO 0.22 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1gpw n GLY 202 N 3.66 1.84 0.00 9.45 0.00 -1.26 -2.88 105.19 116.01 1gpw n GLY 202 Ca -0.21 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1gpw n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gpw n GLY 203 N 2.00 0.65 3.64 -0.02 0.00 -0.94 -4.11 105.19 106.40 1gpw n GLY 203 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 1gpw n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpw n ALA 204 N -1.46 -0.38 0.00 4.61 0.00 -1.26 -0.45 120.51 121.57 1gpw n ALA 204 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1gpw n ALA 204 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1gpw n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gpw n GLY 205 N 3.21 0.00 3.59 0.00 0.00 -1.26 -4.09 105.19 106.64 1gpw n GLY 205 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1gpw n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gpw s LYS 206 N -1.24 1.51 0.23 1.61 -2.85 -1.26 -4.99 119.74 112.75 1gpw s LYS 206 Ca 0.00 -1.13 -0.09 0.00 -1.00 0.00 0.00 55.97 53.74 1gpw s LYS 206 Cb 0.00 0.49 0.35 0.00 -2.06 0.00 0.00 37.83 36.61 1gpw s LYS 206 CO 0.00 -0.64 1.64 0.52 0.10 0.00 0.00 175.35 176.98 1gpw h MET 207 N 2.23 0.09 0.00 1.78 2.86 -2.00 -1.63 114.93 118.26 1gpw h MET 207 Ca -0.26 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1gpw h MET 207 Cb 1.25 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 1gpw h MET 207 CO 0.35 0.06 -0.01 0.93 1.06 0.00 0.00 176.91 179.30 1gpw h GLU 208 N 0.09 0.00 -0.22 1.72 3.07 -1.99 -1.55 114.58 115.69 1gpw h GLU 208 Ca 0.36 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1gpw h GLU 208 Cb 0.61 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1gpw h GLU 208 CO -0.62 0.01 0.07 0.45 -1.40 0.00 0.00 179.01 177.52 1gpw h HIS 209 N 0.00 0.30 -0.33 4.33 3.86 -1.71 -1.08 115.15 120.52 1gpw h HIS 209 Ca -0.00 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.05 1gpw h HIS 209 Cb 0.01 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1gpw h HIS 209 CO 0.00 0.26 -0.40 0.74 0.86 0.00 0.00 177.93 179.39 1gpw h PHE 210 N 0.31 0.96 -0.34 2.45 -1.00 -1.37 -1.49 116.94 116.44 1gpw h PHE 210 Ca 0.08 -0.29 -0.07 0.00 2.81 0.00 0.00 57.97 60.50 1gpw h PHE 210 Cb 0.09 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 1gpw h PHE 210 CO 0.00 1.07 -0.08 1.25 -1.61 0.00 0.00 178.31 178.94 1gpw h LEU 211 N 0.65 0.55 -0.37 1.54 5.85 -1.25 -2.26 115.31 120.03 1gpw h LEU 211 Ca 0.05 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1gpw h LEU 211 Cb 0.96 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1gpw h LEU 211 CO 0.09 0.68 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.40 1gpw h GLU 212 N 0.53 0.74 -0.63 1.25 5.08 -0.97 -2.02 114.58 118.57 1gpw h GLU 212 Ca 0.10 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1gpw h GLU 212 Cb 0.46 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1gpw h GLU 212 CO 0.02 0.91 0.24 0.00 -1.00 0.00 0.00 179.01 179.19 1gpw h ALA 213 N 0.81 0.82 -0.06 3.43 0.00 -1.03 -2.26 119.26 120.97 1gpw h ALA 213 Ca 0.09 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1gpw h ALA 213 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1gpw h ALA 213 CO 0.05 0.45 -0.50 0.74 0.00 0.00 0.00 179.25 179.98 1gpw h PHE 214 N 0.89 0.20 0.00 0.00 0.04 -1.37 -2.28 116.94 114.41 1gpw h PHE 214 Ca 0.21 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 1gpw h PHE 214 Cb 0.22 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1gpw h PHE 214 CO 0.01 0.64 -0.21 -0.07 -0.60 0.00 0.00 178.31 178.08 1gpw h LEU 215 N 0.13 0.00 -0.08 1.54 3.38 -1.06 -2.29 115.31 116.93 1gpw h LEU 215 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gpw h LEU 215 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1gpw h LEU 215 CO 0.07 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1gpw h ALA 216 N 1.79 1.00 0.00 1.53 0.00 -0.87 -3.47 119.26 119.24 1gpw h ALA 216 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gpw h ALA 216 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1gpw h ALA 216 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1gpw n GLY 217 N 1.16 1.00 3.76 0.00 0.00 -0.86 -4.00 105.19 106.25 1gpw n GLY 217 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1gpw n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpw s ALA 218 N -2.00 3.06 -0.35 4.61 0.00 -0.93 -4.81 121.76 121.35 1gpw s ALA 218 Ca 0.00 1.21 0.23 0.00 0.00 0.00 0.00 51.96 53.40 1gpw s ALA 218 Cb 0.00 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 1gpw s ALA 218 CO 0.00 -0.98 0.89 -0.25 0.00 0.00 0.00 175.76 175.42 1gpw n ASP 219 N -0.40 0.54 -3.55 0.00 8.00 0.06 -4.59 116.55 116.61 1gpw n ASP 219 Ca 0.07 0.01 -0.17 0.00 0.71 0.00 0.00 54.79 55.40 1gpw n ASP 219 Cb 0.45 0.99 -0.06 0.00 -0.02 0.00 0.00 41.12 42.47 1gpw n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gpw s ALA 220 N -3.33 -1.72 -0.16 2.24 0.00 -0.81 -1.60 121.76 116.38 1gpw s ALA 220 Ca -0.01 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.36 1gpw s ALA 220 Cb 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1gpw s ALA 220 CO 0.83 -0.36 -0.18 0.00 0.00 0.00 0.00 175.76 176.05 1gpw s ALA 221 N -0.92 2.39 -0.00 0.00 0.00 -0.17 0.64 121.76 123.69 1gpw s ALA 221 Ca -0.09 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1gpw s ALA 221 Cb -0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1gpw s ALA 221 CO 0.08 -0.16 0.03 -1.17 0.00 0.00 0.00 175.76 174.55 1gpw s LEU 222 N 1.01 3.66 0.11 0.00 0.20 0.82 -0.44 118.68 124.03 1gpw s LEU 222 Ca -0.02 0.05 -0.25 0.00 0.69 0.00 0.00 54.13 54.60 1gpw s LEU 222 Cb -0.15 -2.11 0.08 0.00 -0.43 0.00 0.00 46.19 43.58 1gpw s LEU 222 CO -0.05 0.28 0.67 0.00 -0.29 0.00 0.00 176.35 176.96 1gpw s ALA 223 N -1.13 -1.66 0.13 5.97 0.00 -0.73 -4.15 121.76 120.19 1gpw s ALA 223 Ca 0.21 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1gpw s ALA 223 Cb -0.12 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1gpw s ALA 223 CO 0.12 -0.71 0.00 0.00 0.00 0.00 0.00 175.76 175.16 1gpw n ALA 224 N -0.23 3.00 -0.76 0.00 0.00 -1.26 -1.46 120.51 119.80 1gpw n ALA 224 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1gpw n ALA 224 Cb 0.64 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1gpw n ALA 224 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gpw n SER 225 N -3.40 0.00 -0.23 0.00 7.64 -1.26 -2.76 113.62 113.60 1gpw n SER 225 Ca 0.00 0.62 0.13 0.00 1.01 0.00 0.00 58.87 60.63 1gpw n SER 225 Cb 0.06 -0.12 0.26 0.00 -1.01 0.00 0.00 64.21 63.39 1gpw n SER 225 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1gpw n VAL 226 N -1.36 -0.29 0.10 0.44 0.24 -1.26 -1.16 118.33 115.03 1gpw n VAL 226 Ca 0.00 1.49 -0.23 0.00 -2.04 0.00 0.00 64.34 63.56 1gpw n VAL 226 Cb 0.00 -2.23 -0.13 0.00 -1.47 0.00 0.00 33.84 30.00 1gpw n VAL 226 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1gpw h PHE 227 N 0.00 1.02 0.04 6.34 0.04 -1.80 -1.87 116.94 120.71 1gpw h PHE 227 Ca 0.46 -0.66 -0.00 0.00 2.80 0.00 0.00 57.97 60.57 1gpw h PHE 227 Cb 1.04 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.12 1gpw h PHE 227 CO -0.26 1.50 -0.03 1.25 -0.60 0.00 0.00 178.31 180.17 1gpw h HIS 228 N 0.26 -0.08 0.00 -0.55 2.76 -0.95 -2.54 115.15 114.05 1gpw h HIS 228 Ca -0.20 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 1gpw h HIS 228 Cb 1.96 0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.95 1gpw h HIS 228 CO 0.12 -0.04 0.33 0.74 -1.30 0.00 0.00 177.93 177.78 1gpw h PHE 229 N -0.07 0.00 0.00 5.26 -1.00 -1.60 -3.44 116.94 116.09 1gpw h PHE 229 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1gpw h PHE 229 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 1gpw h PHE 229 CO 0.04 0.00 0.00 -2.13 -1.61 0.00 0.00 178.31 174.61 1gpw n ARG 230 N -2.07 0.00 0.29 1.51 3.00 -0.96 -4.89 116.66 113.53 1gpw n ARG 230 Ca -0.01 0.00 0.17 0.00 -0.00 0.00 0.00 57.85 58.01 1gpw n ARG 230 Cb 0.35 -2.26 0.84 0.00 0.00 0.00 0.00 32.46 31.40 1gpw n ARG 230 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1gpw h GLU 231 N 2.67 0.00 -3.82 -0.14 5.08 -1.62 -3.38 114.58 113.37 1gpw h GLU 231 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 1gpw h GLU 231 Cb 0.00 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.90 1gpw h GLU 231 CO 0.00 0.00 -0.76 0.42 -1.00 0.00 0.00 179.01 177.67 1gpw s ILE 232 N -4.23 0.36 -0.21 3.13 1.01 -0.82 -5.00 121.20 115.44 1gpw s ILE 232 Ca -0.04 0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 1gpw s ILE 232 Cb 0.11 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1gpw s ILE 232 CO 0.35 0.20 0.55 -0.62 0.00 0.00 0.00 174.94 175.43 1gpw s ASP 233 N 1.23 6.59 0.30 3.58 2.15 -1.26 -4.61 116.67 124.64 1gpw s ASP 233 Ca -0.07 0.71 -0.02 0.00 0.43 0.00 0.00 52.55 53.61 1gpw s ASP 233 Cb -0.14 -2.31 0.44 0.00 -0.30 0.00 0.00 42.92 40.62 1gpw s ASP 233 CO -0.02 -0.22 1.95 0.58 -0.17 0.00 0.00 175.17 177.29 1gpw h VAL 234 N 5.17 1.21 0.14 1.11 2.07 -1.97 -1.51 116.25 122.47 1gpw h VAL 234 Ca -0.32 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1gpw h VAL 234 Cb 1.15 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1gpw h VAL 234 CO 0.75 0.22 -0.09 -0.09 0.02 0.00 0.00 177.57 178.37 1gpw h ARG 235 N 1.07 -0.22 -0.44 1.57 1.12 -1.93 -0.55 114.38 114.99 1gpw h ARG 235 Ca 0.28 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.21 1gpw h ARG 235 Cb -0.07 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 29.90 1gpw h ARG 235 CO -0.06 -0.15 0.19 0.93 -3.11 0.00 0.00 179.97 177.78 1gpw h GLU 236 N -0.23 0.38 -0.45 0.20 5.08 -1.89 -2.19 114.58 115.48 1gpw h GLU 236 Ca -0.01 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1gpw h GLU 236 Cb 0.20 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1gpw h GLU 236 CO 0.00 0.25 0.24 1.25 -1.00 0.00 0.00 179.01 179.76 1gpw h LEU 237 N 0.39 0.37 -1.21 1.33 5.85 -0.98 -0.12 115.31 120.94 1gpw h LEU 237 Ca 0.20 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1gpw h LEU 237 Cb 0.14 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1gpw h LEU 237 CO -0.17 0.27 -0.16 0.11 -0.34 0.00 0.00 178.44 178.14 1gpw h LYS 238 N 0.49 0.35 -0.02 1.25 1.57 -0.82 -0.68 116.57 118.70 1gpw h LYS 238 Ca 0.19 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 1gpw h LYS 238 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1gpw h LYS 238 CO -0.11 0.51 -0.78 0.93 -0.57 0.00 0.00 179.45 179.43 1gpw h GLU 239 N 0.32 0.21 -0.22 3.15 5.08 -0.99 -1.68 114.58 120.45 1gpw h GLU 239 Ca 0.06 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1gpw h GLU 239 Cb 0.48 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1gpw h GLU 239 CO 0.03 0.88 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.79 1gpw h TYR 240 N 0.13 0.63 -0.68 4.33 3.20 -0.60 -1.49 116.97 122.49 1gpw h TYR 240 Ca -0.03 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.58 1gpw h TYR 240 Cb 1.36 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 1gpw h TYR 240 CO 0.03 0.87 0.16 -0.07 -1.64 0.00 0.00 178.16 177.50 1gpw h LEU 241 N 0.21 1.04 -0.68 2.82 3.38 -1.11 -2.85 115.31 118.12 1gpw h LEU 241 Ca 0.03 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1gpw h LEU 241 Cb 0.76 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1gpw h LEU 241 CO 0.05 1.01 0.09 0.50 0.09 0.00 0.00 178.44 180.18 1gpw h LYS 242 N 1.02 1.11 -0.66 1.13 1.63 -1.25 -1.30 116.57 118.25 1gpw h LYS 242 Ca 0.21 -0.30 0.08 0.00 -0.85 0.00 0.00 60.65 59.78 1gpw h LYS 242 Cb 0.38 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 1gpw h LYS 242 CO 0.00 1.02 0.44 -0.22 -3.45 0.00 0.00 179.45 177.24 1gpw h LYS 243 N 1.03 0.59 -0.94 1.90 3.64 -1.06 -2.83 116.57 118.91 1gpw h LYS 243 Ca 0.20 -0.04 -0.57 0.00 -1.27 0.00 0.00 60.65 58.98 1gpw h LYS 243 Cb 0.46 -0.13 -0.29 0.00 -0.41 0.00 0.00 32.23 31.86 1gpw h LYS 243 CO 0.02 0.39 0.62 0.72 -2.27 0.00 0.00 179.45 178.93 1gpw n HIS 244 N -4.48 2.97 -0.80 1.91 8.25 -0.99 -4.93 115.22 117.16 1gpw n HIS 244 Ca 0.10 -2.38 0.00 0.00 -0.26 0.00 0.00 57.72 55.18 1gpw n HIS 244 Cb 0.28 -1.11 0.00 0.00 1.12 0.00 0.00 29.99 30.28 1gpw n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gpw n GLY 245 N -1.02 0.70 3.72 -1.41 0.00 -1.07 -5.04 105.19 101.07 1gpw n GLY 245 Ca 0.58 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.25 1gpw n GLY 245 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gpw s VAL 246 N -2.56 5.33 -0.51 1.61 1.01 -0.53 -5.02 120.40 119.74 1gpw s VAL 246 Ca 0.00 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 1gpw s VAL 246 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1gpw s VAL 246 CO 0.00 0.44 1.10 0.21 0.00 0.00 0.00 175.10 176.85 1gpw s ASN 247 N 0.36 6.53 0.31 3.32 2.47 -1.26 -3.62 114.94 123.06 1gpw s ASN 247 Ca 0.07 0.22 0.10 0.00 0.42 0.00 0.00 52.86 53.67 1gpw s ASN 247 Cb -0.11 -2.52 -0.06 0.00 -1.45 0.00 0.00 41.25 37.11 1gpw s ASN 247 CO -0.02 -1.28 -0.12 0.68 -3.72 0.00 0.00 177.10 172.65 1gpw s VAL 248 N 4.42 2.18 -0.74 -5.21 -7.23 -1.26 -0.38 120.40 112.18 1gpw s VAL 248 Ca 0.43 -2.24 -0.27 0.00 -1.81 0.00 0.00 61.98 58.09 1gpw s VAL 248 Cb -0.08 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.37 1gpw s VAL 248 CO 0.28 -0.28 1.38 -0.60 -0.31 0.00 0.00 175.10 175.57 1gpw s ARG 249 N -3.61 3.12 -0.33 4.82 3.00 -1.26 -4.91 118.95 119.79 1gpw s ARG 249 Ca 0.31 -0.17 -0.10 0.00 -1.00 0.00 0.00 55.73 54.76 1gpw s ARG 249 Cb 0.01 -4.29 0.00 0.00 0.00 0.00 0.00 34.95 30.66 1gpw s ARG 249 CO 0.15 -2.25 0.18 -1.17 0.00 0.00 0.00 175.30 172.21 1gpw s LEU 250 N 6.23 4.33 0.00 -0.88 0.20 -1.26 -5.02 118.68 122.29 1gpw s LEU 250 Ca 0.41 -0.63 0.00 0.00 0.69 0.00 0.00 54.13 54.59 1gpw s LEU 250 Cb -0.08 -2.03 0.00 0.00 -0.43 0.00 0.00 46.19 43.65 1gpw s LEU 250 CO 0.14 -0.25 0.00 -0.62 -0.29 0.00 0.00 176.35 175.33 1gpw n GLU 251 N 5.01 0.00 0.00 1.98 1.02 -1.26 -5.08 120.64 122.30 1gpw n GLU 251 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1gpw n GLU 251 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1gpw n GLU 251 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gpw n GLY 252 N 1.02 4.16 0.00 0.62 0.00 -1.26 -5.26 105.19 104.47 1gpw n GLY 252 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1gpw n GLY 252 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36