#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpw s ARG 2 N 0.00 2.66 -0.11 0.03 0.52 -1.26 -1.27 118.95 119.51 1gpw s ARG 2 Ca 0.00 -1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 54.13 1gpw s ARG 2 Cb 0.00 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 1gpw s ARG 2 CO 0.00 -0.40 -0.06 0.42 0.02 0.00 0.00 175.30 175.28 1gpw s ILE 3 N 1.23 3.76 0.10 1.52 1.01 0.13 -1.53 121.20 127.41 1gpw s ILE 3 Ca -0.02 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.29 1gpw s ILE 3 Cb -0.17 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1gpw s ILE 3 CO -0.08 0.55 -0.22 -0.83 0.00 0.00 0.00 174.94 174.36 1gpw s GLY 4 N -0.22 1.28 -0.23 6.18 0.00 -0.63 -0.42 107.32 113.29 1gpw s GLY 4 Ca 0.03 -1.25 -0.02 0.00 0.00 0.00 0.00 44.72 43.48 1gpw s GLY 4 CO 0.03 -1.24 0.04 -0.42 0.00 0.00 0.00 173.10 171.51 1gpw s ILE 5 N -1.08 0.74 0.10 0.90 1.01 0.98 -1.42 121.20 122.42 1gpw s ILE 5 Ca 0.08 -0.88 -0.34 0.00 0.00 0.00 0.00 60.65 59.51 1gpw s ILE 5 Cb -0.10 -1.30 -0.13 0.00 0.01 0.00 0.00 42.46 40.93 1gpw s ILE 5 CO 0.04 -0.34 1.66 -0.38 0.00 0.00 0.00 174.94 175.92 1gpw n ILE 6 N 4.95 0.15 -1.82 2.92 -0.00 -0.92 -0.88 119.36 123.77 1gpw n ILE 6 Ca -0.07 -0.03 0.01 0.00 -0.00 0.00 0.00 62.75 62.66 1gpw n ILE 6 Cb 0.45 -1.64 0.15 0.00 -0.00 0.00 0.00 39.64 38.61 1gpw n ILE 6 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1gpw n SER 7 N 4.24 2.12 -0.09 4.38 3.41 -1.07 -4.46 113.62 122.15 1gpw n SER 7 Ca 0.18 -3.59 -0.15 0.00 -0.26 0.00 0.00 58.87 55.06 1gpw n SER 7 Cb 0.29 -0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 1gpw n SER 7 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1gpw n VAL 8 N -0.83 0.98 -1.14 -3.33 0.24 -1.26 -4.98 118.33 108.01 1gpw n VAL 8 Ca 0.21 -0.32 -0.37 0.00 -2.04 0.00 0.00 64.34 61.82 1gpw n VAL 8 Cb 0.80 -1.39 0.04 0.00 -1.47 0.00 0.00 33.84 31.82 1gpw n VAL 8 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gpw n GLY 9 N 2.32 -3.14 3.56 7.63 0.00 -1.26 -4.89 105.19 109.41 1gpw n GLY 9 Ca -0.33 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1gpw n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gpw s PRO 10 N -2.00 -0.33 0.00 1.61 0.04 -1.26 -4.83 135.00 128.23 1gpw s PRO 10 Ca 0.54 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1gpw s PRO 10 Cb -0.33 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1gpw s PRO 10 CO 0.69 -3.32 0.00 0.41 0.04 0.00 0.00 177.00 174.83 1gpw n GLY 11 N 0.16 -0.68 3.74 0.56 0.00 -1.17 -0.89 105.19 106.91 1gpw n GLY 11 Ca 0.04 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1gpw n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1gpw s ASN 12 N -1.52 7.56 0.00 1.61 3.84 -1.26 -4.80 114.94 120.38 1gpw s ASN 12 Ca 0.00 1.85 0.00 0.00 0.21 0.00 0.00 52.86 54.92 1gpw s ASN 12 Cb 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 1gpw s ASN 12 CO 0.00 0.04 0.00 2.30 -2.79 0.00 0.00 177.10 176.65 1gpw n ILE 13 N 2.21 0.00 0.01 -5.21 -6.64 -1.26 -4.45 119.36 104.02 1gpw n ILE 13 Ca 0.00 -0.14 -0.03 0.00 -1.77 0.00 0.00 62.75 60.81 1gpw n ILE 13 Cb 0.48 0.92 0.21 0.00 -1.44 0.00 0.00 39.64 39.80 1gpw n ILE 13 CO 0.00 0.00 0.00 0.24 -1.77 0.00 0.00 176.55 175.02 1gpw h MET 14 N 0.00 0.50 -0.23 6.28 2.86 -1.98 -1.17 114.93 121.19 1gpw h MET 14 Ca 0.00 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1gpw h MET 14 Cb 0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1gpw h MET 14 CO 0.00 0.69 0.11 -0.91 1.06 0.00 0.00 176.91 177.87 1gpw h ASN 15 N 0.45 0.17 -0.13 1.22 2.35 -1.99 0.45 115.58 118.11 1gpw h ASN 15 Ca 0.07 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1gpw h ASN 15 Cb 0.63 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 1gpw h ASN 15 CO 0.05 0.13 -0.07 0.25 -1.65 0.00 0.00 177.43 176.14 1gpw h LEU 16 N 0.24 -0.22 -0.39 1.61 7.12 -1.78 0.40 115.31 122.29 1gpw h LEU 16 Ca 0.09 0.05 0.07 0.00 0.13 0.00 0.00 57.88 58.23 1gpw h LEU 16 Cb 0.03 0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.21 1gpw h LEU 16 CO -0.07 -0.09 0.01 0.22 -0.13 0.00 0.00 178.44 178.39 1gpw h TYR 17 N -0.06 0.01 -0.25 1.25 3.20 -0.59 0.13 116.97 120.66 1gpw h TYR 17 Ca 0.07 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1gpw h TYR 17 Cb 0.16 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1gpw h TYR 17 CO -0.19 -0.06 0.06 0.00 -1.64 0.00 0.00 178.16 176.33 1gpw h ARG 18 N 0.12 0.40 -0.80 1.82 3.08 0.61 0.89 114.38 120.51 1gpw h ARG 18 Ca 0.19 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.24 1gpw h ARG 18 Cb 0.27 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1gpw h ARG 18 CO -0.31 0.50 0.45 0.78 -1.07 0.00 0.00 179.97 180.32 1gpw h GLY 19 N 0.24 1.23 1.33 0.04 0.00 0.23 0.14 103.07 106.27 1gpw h GLY 19 Ca 0.08 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 1gpw h GLY 19 CO 0.00 0.13 -0.29 -2.08 0.00 0.00 0.00 176.54 174.30 1gpw h VAL 20 N 0.77 1.28 -0.42 4.60 2.07 -0.34 -1.18 116.25 123.03 1gpw h VAL 20 Ca 0.38 -1.43 -0.15 0.00 0.82 0.00 0.00 66.70 66.33 1gpw h VAL 20 Cb 0.33 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1gpw h VAL 20 CO -0.24 0.47 -0.31 0.50 0.02 0.00 0.00 177.57 178.01 1gpw h LYS 21 N 0.65 0.95 0.00 1.57 3.64 -0.15 0.29 116.57 123.52 1gpw h LYS 21 Ca 0.08 -0.45 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1gpw h LYS 21 Cb 0.82 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1gpw h LYS 21 CO 0.07 1.12 -0.21 -0.09 -2.27 0.00 0.00 179.45 178.07 1gpw h ARG 22 N 0.79 0.00 0.11 1.90 2.43 -0.58 -2.41 114.38 116.63 1gpw h ARG 22 Ca 0.08 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.05 1gpw h ARG 22 Cb 0.89 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1gpw h ARG 22 CO 0.08 0.21 -0.95 0.00 -1.51 0.00 0.00 179.97 177.80 1gpw h ALA 23 N 1.79 0.02 0.00 2.80 0.00 -0.63 -3.24 119.26 120.00 1gpw h ALA 23 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1gpw h ALA 23 Cb 0.44 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1gpw h ALA 23 CO 0.03 0.50 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 1gpw n SER 24 N -4.12 0.00 0.00 0.00 3.41 0.97 -3.85 113.62 110.03 1gpw n SER 24 Ca -0.18 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 1gpw n SER 24 Cb 0.81 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1gpw n SER 24 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1gpw n GLU 25 N -1.03 0.00 -0.39 4.33 2.13 -0.93 -3.25 120.64 121.51 1gpw n GLU 25 Ca 0.08 0.43 -0.07 0.00 0.66 0.00 0.00 57.16 58.26 1gpw n GLU 25 Cb 0.04 -1.18 -0.05 0.00 0.27 0.00 0.00 31.44 30.52 1gpw n GLU 25 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1gpw n ASN 26 N -1.38 2.20 -3.83 4.31 3.02 -1.25 -4.73 115.26 113.60 1gpw n ASN 26 Ca 0.00 -1.94 -0.11 0.00 -0.03 0.00 0.00 54.58 52.50 1gpw n ASN 26 Cb 0.00 -0.60 -0.09 0.00 -0.61 0.00 0.00 39.78 38.48 1gpw n ASN 26 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1gpw s PHE 27 N 2.71 0.01 0.57 3.10 0.40 -1.20 -5.16 117.98 118.41 1gpw s PHE 27 Ca 0.24 -0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.27 1gpw s PHE 27 Cb 0.10 -0.01 -0.05 0.00 0.51 0.00 0.00 43.02 43.57 1gpw s PHE 27 CO -0.01 -0.39 1.02 -1.21 0.70 0.00 0.00 175.22 175.33 1gpw s GLU 28 N -2.09 3.60 0.00 0.44 0.41 -1.26 -4.45 118.70 115.35 1gpw s GLU 28 Ca -0.09 1.03 0.00 0.00 -0.41 0.00 0.00 54.97 55.51 1gpw s GLU 28 Cb -0.03 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.24 1gpw s GLU 28 CO -0.01 -0.57 0.00 -0.25 -0.49 0.00 0.00 175.26 173.94 1gpw n ASP 29 N -1.98 0.00 -3.86 -0.19 9.92 -1.26 -4.66 116.55 114.52 1gpw n ASP 29 Ca 0.07 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.06 1gpw n ASP 29 Cb 0.54 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.85 1gpw n ASP 29 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1gpw s VAL 30 N -1.22 0.94 0.45 2.53 0.11 -1.25 -0.06 120.40 121.91 1gpw s VAL 30 Ca 0.00 -0.45 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 1gpw s VAL 30 Cb 0.00 -1.11 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 1gpw s VAL 30 CO 0.00 0.17 0.20 -0.94 -3.33 0.00 0.00 175.10 171.20 1gpw s SER 31 N 1.71 4.42 -0.01 3.54 1.04 -0.40 -4.97 113.70 119.03 1gpw s SER 31 Ca 0.02 -1.20 -0.00 0.00 0.48 0.00 0.00 55.95 55.25 1gpw s SER 31 Cb -0.14 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.85 1gpw s SER 31 CO -0.08 -0.71 0.02 -0.63 0.98 0.00 0.00 173.24 172.83 1gpw s ILE 32 N -2.68 -0.03 -0.01 -1.02 1.01 -1.25 -0.70 121.20 116.53 1gpw s ILE 32 Ca 0.34 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.13 1gpw s ILE 32 Cb 0.02 -0.05 -0.01 0.00 0.01 0.00 0.00 42.46 42.43 1gpw s ILE 32 CO 0.19 0.04 -0.11 -1.61 0.00 0.00 0.00 174.94 173.46 1gpw s GLU 33 N 0.51 0.86 -0.64 2.79 2.02 0.45 -4.97 118.70 119.72 1gpw s GLU 33 Ca -0.04 -0.38 -0.25 0.00 0.02 0.00 0.00 54.97 54.32 1gpw s GLU 33 Cb -0.06 -0.83 0.04 0.00 0.10 0.00 0.00 34.13 33.38 1gpw s GLU 33 CO -0.01 0.23 1.09 -0.51 0.02 0.00 0.00 175.26 176.07 1gpw s LEU 34 N -0.25 3.79 -0.85 1.80 1.43 -1.26 -0.02 118.68 123.32 1gpw s LEU 34 Ca 0.04 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.41 1gpw s LEU 34 Cb -0.04 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 1gpw s LEU 34 CO -0.00 -1.51 1.70 -0.69 0.23 0.00 0.00 176.35 176.08 1gpw s VAL 35 N 4.69 3.59 -2.42 -1.59 1.01 -0.05 -4.78 120.40 120.85 1gpw s VAL 35 Ca 0.32 -0.24 0.25 0.00 0.00 0.00 0.00 61.98 62.31 1gpw s VAL 35 Cb -0.12 -4.40 0.27 0.00 0.00 0.00 0.00 36.38 32.14 1gpw s VAL 35 CO 0.16 -1.33 1.42 1.21 0.00 0.00 0.00 175.10 176.57 1gpw n GLU 36 N 9.01 1.62 -3.61 2.72 2.13 -1.26 -2.58 120.64 128.66 1gpw n GLU 36 Ca 0.29 -1.18 0.02 0.00 0.66 0.00 0.00 57.16 56.94 1gpw n GLU 36 Cb 0.49 -1.48 -0.00 0.00 0.27 0.00 0.00 31.44 30.72 1gpw n GLU 36 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1gpw s SER 37 N -2.19 -0.05 -0.03 4.31 1.04 -1.26 -4.93 113.70 110.58 1gpw s SER 37 Ca 0.28 -0.11 -0.32 0.00 0.48 0.00 0.00 55.95 56.28 1gpw s SER 37 Cb 0.20 0.14 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 1gpw s SER 37 CO 0.41 -0.26 1.95 -2.65 0.98 0.00 0.00 173.24 173.67 1gpw n PRO 38 N -0.48 2.53 -2.36 4.02 -0.02 -1.26 -4.99 135.00 132.44 1gpw n PRO 38 Ca -0.08 0.92 -0.26 0.00 -2.02 0.00 0.00 63.50 62.06 1gpw n PRO 38 Cb 0.63 -2.86 0.14 0.00 -0.02 0.00 0.00 33.50 31.39 1gpw n PRO 38 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1gpw s ARG 39 N 4.41 1.23 -0.11 -0.52 1.81 -1.26 -5.02 118.95 119.49 1gpw s ARG 39 Ca 0.91 -0.90 -0.13 0.00 -1.72 0.00 0.00 55.73 53.89 1gpw s ARG 39 Cb -0.55 -2.15 -0.26 0.00 -0.45 0.00 0.00 34.95 31.54 1gpw s ARG 39 CO 0.46 -1.85 0.48 -0.91 -0.68 0.00 0.00 175.30 172.80 1gpw h ASN 40 N -0.96 0.38 -2.65 0.23 2.35 -2.06 -3.47 115.58 109.40 1gpw h ASN 40 Ca -0.39 -0.86 -0.47 0.00 -0.55 0.00 0.00 56.30 54.03 1gpw h ASN 40 Cb 1.25 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1gpw h ASN 40 CO 0.38 1.70 -0.25 -1.81 -1.65 0.00 0.00 177.43 175.80 1gpw s ASP 41 N -7.06 6.30 -0.06 5.81 1.01 -1.26 -5.10 116.67 116.31 1gpw s ASP 41 Ca -0.21 0.36 -0.04 0.00 0.71 0.00 0.00 52.55 53.37 1gpw s ASP 41 Cb 0.05 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.96 1gpw s ASP 41 CO 0.76 -0.23 0.10 -0.76 0.21 0.00 0.00 175.17 175.25 1gpw s LEU 42 N -4.20 4.09 0.56 1.23 1.43 -1.26 -5.10 118.68 115.43 1gpw s LEU 42 Ca 0.38 0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.69 1gpw s LEU 42 Cb -0.09 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1gpw s LEU 42 CO 0.34 0.34 0.94 -0.31 0.23 0.00 0.00 176.35 177.89 1gpw s TYR 43 N -1.09 3.60 0.13 0.29 1.51 -1.26 -4.99 117.35 115.53 1gpw s TYR 43 Ca 0.19 1.12 0.06 0.00 -1.01 0.00 0.00 57.07 57.43 1gpw s TYR 43 Cb -0.12 -2.57 -0.17 0.00 -0.11 0.00 0.00 41.96 38.99 1gpw s TYR 43 CO 0.09 -0.53 1.30 -0.44 -1.11 0.00 0.00 175.55 174.86 1gpw h ASP 44 N -0.07 0.04 -3.43 2.29 3.32 -1.65 -3.45 116.42 113.48 1gpw h ASP 44 Ca -0.45 -0.04 -0.27 0.00 0.02 0.00 0.00 57.03 56.28 1gpw h ASP 44 Cb 1.19 -0.01 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 1gpw h ASP 44 CO 0.62 1.00 -0.66 -0.22 -1.72 0.00 0.00 179.24 178.27 1gpw s LEU 45 N -6.83 0.75 0.03 1.55 0.20 -1.15 -3.14 118.68 110.09 1gpw s LEU 45 Ca 0.00 0.20 0.07 0.00 0.69 0.00 0.00 54.13 55.09 1gpw s LEU 45 Cb 0.10 0.18 -0.02 0.00 -0.43 0.00 0.00 46.19 46.01 1gpw s LEU 45 CO 0.82 -0.16 -0.20 -0.22 -0.29 0.00 0.00 176.35 176.31 1gpw s LEU 46 N 1.28 2.14 -0.06 -0.68 2.96 -1.09 -1.60 118.68 121.63 1gpw s LEU 46 Ca -0.07 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1gpw s LEU 46 Cb -0.12 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.61 1gpw s LEU 46 CO -0.05 0.16 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.58 1gpw s PHE 47 N -0.74 2.54 -0.68 5.38 0.40 -0.51 -0.17 117.98 124.20 1gpw s PHE 47 Ca 0.07 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1gpw s PHE 47 Cb -0.08 -1.63 0.16 0.00 0.51 0.00 0.00 43.02 41.98 1gpw s PHE 47 CO 0.01 -0.09 0.46 0.42 0.70 0.00 0.00 175.22 176.72 1gpw s ILE 48 N -0.30 2.86 0.00 0.64 1.09 0.54 -2.15 121.20 123.88 1gpw s ILE 48 Ca 0.01 -4.14 0.00 0.00 -1.10 0.00 0.00 60.65 55.42 1gpw s ILE 48 Cb -0.13 -2.89 0.00 0.00 -1.06 0.00 0.00 42.46 38.38 1gpw s ILE 48 CO 0.02 -0.97 0.00 -0.81 -0.10 0.00 0.00 174.94 173.08 1gpw n PRO 49 N 2.14 2.02 0.00 2.79 -0.04 -1.26 -2.35 135.00 138.30 1gpw n PRO 49 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1gpw n PRO 49 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 1gpw n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gpw n GLY 50 N 5.00 3.01 3.31 0.55 0.00 -1.26 -3.79 105.19 112.01 1gpw n GLY 50 Ca 0.00 -2.03 0.02 0.00 0.00 0.00 0.00 46.02 44.01 1gpw n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gpw s VAL 51 N -2.58 -0.97 -5.00 1.61 1.01 -0.07 -3.14 120.40 111.27 1gpw s VAL 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1gpw s VAL 51 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1gpw s VAL 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1gpw n GLY 52 N 5.43 -0.42 3.76 4.51 0.00 -1.26 -3.03 105.19 114.17 1gpw n GLY 52 Ca -0.05 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1gpw n GLY 52 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gpw s HIS 53 N -3.02 2.82 0.36 1.61 5.65 -1.26 -4.92 115.29 116.52 1gpw s HIS 53 Ca 0.00 1.00 0.04 0.00 0.25 0.00 0.00 55.06 56.35 1gpw s HIS 53 Cb 0.00 -3.95 0.70 0.00 -1.18 0.00 0.00 32.58 28.15 1gpw s HIS 53 CO 0.00 -3.02 2.01 0.35 -0.65 0.00 0.00 174.74 173.43 1gpw h PHE 54 N 4.32 0.74 0.24 3.88 3.57 -1.96 -2.82 116.94 124.91 1gpw h PHE 54 Ca -0.48 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1gpw h PHE 54 Cb 1.22 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1gpw h PHE 54 CO 0.57 0.45 -0.25 0.78 -2.23 0.00 0.00 178.31 177.64 1gpw h GLY 55 N 0.78 -0.98 -1.62 2.40 0.00 -1.91 -3.25 103.07 98.50 1gpw h GLY 55 Ca 0.23 0.44 -0.54 0.00 0.00 0.00 0.00 47.33 47.47 1gpw h GLY 55 CO -0.05 -0.32 0.34 -0.54 0.00 0.00 0.00 176.54 175.97 1gpw s GLU 56 N -4.37 1.63 0.00 4.80 0.41 -1.06 -0.98 118.70 119.13 1gpw s GLU 56 Ca -0.09 1.77 0.00 0.00 -0.41 0.00 0.00 54.97 56.25 1gpw s GLU 56 Cb 0.02 -1.77 0.00 0.00 -1.78 0.00 0.00 34.13 30.60 1gpw s GLU 56 CO 0.29 -2.22 0.00 0.41 -0.49 0.00 0.00 175.26 173.25 1gpw n GLY 57 N 0.51 2.38 0.11 -1.39 0.00 -1.26 -4.46 105.19 101.08 1gpw n GLY 57 Ca 0.14 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1gpw n GLY 57 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gpw h MET 58 N 0.00 0.28 0.00 1.61 2.86 -1.22 -1.62 114.93 116.84 1gpw h MET 58 Ca 0.00 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1gpw h MET 58 Cb 0.00 0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1gpw h MET 58 CO 0.00 1.21 0.00 -2.13 1.06 0.00 0.00 176.91 177.05 1gpw n ARG 59 N -4.18 0.24 -0.06 1.72 0.63 -0.15 -1.38 116.66 113.48 1gpw n ARG 59 Ca -0.13 0.09 -0.03 0.00 -0.92 0.00 0.00 57.85 56.86 1gpw n ARG 59 Cb 0.78 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 32.05 1gpw n ARG 59 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1gpw n ARG 60 N -1.33 0.96 0.04 -0.14 1.74 -1.21 -3.15 116.66 113.57 1gpw n ARG 60 Ca 0.09 -0.06 -0.20 0.00 -0.77 0.00 0.00 57.85 56.91 1gpw n ARG 60 Cb 0.19 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 30.08 1gpw n ARG 60 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1gpw h LEU 61 N 0.00 0.89 0.32 0.55 3.38 -0.94 -2.91 115.31 116.61 1gpw h LEU 61 Ca -0.33 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 56.88 1gpw h LEU 61 Cb 1.72 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1gpw h LEU 61 CO 0.02 1.52 -0.16 0.03 0.09 0.00 0.00 178.44 179.94 1gpw h ARG 62 N 0.36 -0.42 -0.85 1.13 3.08 -1.42 0.21 114.38 116.47 1gpw h ARG 62 Ca -0.13 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.12 1gpw h ARG 62 Cb 1.67 0.10 -0.16 0.00 0.08 0.00 0.00 29.97 31.66 1gpw h ARG 62 CO 0.20 -0.28 -0.21 -1.91 -1.07 0.00 0.00 179.97 176.71 1gpw n GLU 63 N -3.45 -0.08 -0.97 0.04 2.13 -1.19 0.99 120.64 118.11 1gpw n GLU 63 Ca -0.05 1.33 -0.17 0.00 0.66 0.00 0.00 57.16 58.92 1gpw n GLU 63 Cb 0.17 -1.99 0.16 0.00 0.27 0.00 0.00 31.44 30.05 1gpw n GLU 63 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1gpw n ASN 64 N -5.39 3.70 -3.96 4.31 3.02 -1.10 -4.94 115.26 110.90 1gpw n ASN 64 Ca 0.14 -3.26 -0.34 0.00 -0.03 0.00 0.00 54.58 51.09 1gpw n ASN 64 Cb 0.44 -0.76 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 1gpw n ASN 64 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1gpw n ASP 65 N -0.73 -3.12 -0.01 6.41 2.03 0.28 -4.29 116.55 117.12 1gpw n ASP 65 Ca 0.46 -0.97 0.08 0.00 0.52 0.00 0.00 54.79 54.88 1gpw n ASP 65 Cb 1.42 -1.19 -0.12 0.00 -0.72 0.00 0.00 41.12 40.51 1gpw n ASP 65 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1gpw n LEU 66 N -3.90 0.07 0.09 -2.67 4.77 0.70 -4.25 117.00 111.80 1gpw n LEU 66 Ca -0.10 -0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.67 1gpw n LEU 66 Cb 0.43 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1gpw n LEU 66 CO 0.56 0.02 0.52 0.40 -1.33 0.00 0.00 177.39 177.55 1gpw h ILE 67 N 0.00 0.02 -0.88 -0.08 2.04 -1.87 0.71 117.51 117.45 1gpw h ILE 67 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1gpw h ILE 67 Cb 0.67 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 1gpw h ILE 67 CO 0.00 0.00 0.57 0.44 0.00 0.00 0.00 178.15 179.16 1gpw h ASP 68 N -0.71 0.88 -0.06 1.72 3.32 -1.92 -0.74 116.42 118.91 1gpw h ASP 68 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1gpw h ASP 68 Cb 0.74 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1gpw h ASP 68 CO -0.32 0.57 0.03 0.15 -1.72 0.00 0.00 179.24 177.95 1gpw h PHE 69 N 1.00 0.08 -0.11 4.55 3.57 -1.35 -2.25 116.94 122.44 1gpw h PHE 69 Ca 0.37 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1gpw h PHE 69 Cb 0.19 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1gpw h PHE 69 CO -0.00 0.16 0.03 0.28 -2.23 0.00 0.00 178.31 176.55 1gpw h VAL 70 N -0.01 0.97 -0.69 1.41 2.07 0.87 -2.44 116.25 118.42 1gpw h VAL 70 Ca 0.02 -0.03 0.16 0.00 0.82 0.00 0.00 66.70 67.67 1gpw h VAL 70 Cb 0.10 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1gpw h VAL 70 CO -0.00 0.02 0.47 -0.09 0.02 0.00 0.00 177.57 177.98 1gpw h ARG 71 N 0.08 0.25 0.00 1.57 9.65 -1.02 0.14 114.38 125.05 1gpw h ARG 71 Ca 0.05 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 1gpw h ARG 71 Cb 0.03 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1gpw h ARG 71 CO -0.05 0.17 -0.18 0.87 2.80 0.00 0.00 179.97 183.57 1gpw h LYS 72 N 0.26 0.00 -0.12 0.20 1.57 -0.91 -3.05 116.57 114.53 1gpw h LYS 72 Ca 0.33 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.05 1gpw h LYS 72 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1gpw h LYS 72 CO -0.08 0.18 -0.18 0.45 -0.57 0.00 0.00 179.45 179.25 1gpw h HIS 73 N 0.00 0.41 0.09 -1.35 3.86 -0.61 -2.78 115.15 114.77 1gpw h HIS 73 Ca -0.00 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1gpw h HIS 73 Cb 0.79 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 1gpw h HIS 73 CO 0.00 0.79 -0.14 0.28 0.86 0.00 0.00 177.93 179.72 1gpw h VAL 74 N -0.09 0.67 -0.73 2.45 2.07 -1.47 0.74 116.25 119.89 1gpw h VAL 74 Ca 0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.67 1gpw h VAL 74 Cb 0.75 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 31.09 1gpw h VAL 74 CO 0.04 0.00 0.24 -0.33 0.02 0.00 0.00 177.57 177.54 1gpw h GLU 75 N -0.29 0.35 0.00 1.57 5.08 -1.56 0.18 114.58 119.91 1gpw h GLU 75 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gpw h GLU 75 Cb 0.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1gpw h GLU 75 CO -0.08 0.23 0.00 -3.47 -1.00 0.00 0.00 179.01 174.70 1gpw n ASP 76 N -5.07 0.00 -2.17 1.42 4.64 -1.05 -4.83 116.55 109.49 1gpw n ASP 76 Ca 0.14 -1.30 -0.10 0.00 -1.38 0.00 0.00 54.79 52.14 1gpw n ASP 76 Cb 0.42 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.54 1gpw n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1gpw n GLU 77 N -0.70 -3.69 -4.02 -0.67 1.02 0.62 -5.02 120.64 108.17 1gpw n GLU 77 Ca 0.08 0.43 -0.35 0.00 -0.02 0.00 0.00 57.16 57.30 1gpw n GLU 77 Cb 0.04 -4.23 -0.10 0.00 -0.02 0.00 0.00 31.44 27.13 1gpw n GLU 77 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1gpw s ARG 78 N -5.11 3.92 0.51 3.49 1.81 0.24 -5.03 118.95 118.77 1gpw s ARG 78 Ca 0.13 -0.37 -0.20 0.00 -1.72 0.00 0.00 55.73 53.56 1gpw s ARG 78 Cb -0.06 -3.20 -0.09 0.00 -0.45 0.00 0.00 34.95 31.15 1gpw s ARG 78 CO 0.37 0.23 0.71 0.66 -0.68 0.00 0.00 175.30 176.59 1gpw n TYR 79 N 3.67 0.01 -3.55 -0.53 4.02 -1.19 -4.22 117.16 115.38 1gpw n TYR 79 Ca -0.17 0.50 -0.24 0.00 -0.01 0.00 0.00 57.90 57.99 1gpw n TYR 79 Cb 0.52 -2.05 -0.15 0.00 -0.02 0.00 0.00 39.34 37.64 1gpw n TYR 79 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1gpw s VAL 80 N -1.53 -0.18 -0.27 -0.72 1.01 -1.03 -2.68 120.40 115.00 1gpw s VAL 80 Ca 0.67 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 1gpw s VAL 80 Cb -0.50 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1gpw s VAL 80 CO 0.54 -0.37 -0.00 -0.69 0.00 0.00 0.00 175.10 174.58 1gpw s VAL 81 N 2.20 3.30 0.33 2.92 1.01 0.76 -0.40 120.40 130.51 1gpw s VAL 81 Ca 0.05 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 1gpw s VAL 81 Cb -0.16 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 1gpw s VAL 81 CO -0.18 0.14 0.65 -0.83 0.00 0.00 0.00 175.10 174.88 1gpw s GLY 82 N 1.39 1.99 -0.14 4.51 0.00 0.12 -0.34 107.32 114.85 1gpw s GLY 82 Ca 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.36 1gpw s GLY 82 CO -0.02 -0.18 0.17 0.14 0.00 0.00 0.00 173.10 173.21 1gpw s VAL 83 N -2.15 -0.25 0.00 1.40 1.01 -0.99 -2.12 120.40 117.31 1gpw s VAL 83 Ca 0.48 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1gpw s VAL 83 Cb -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1gpw s VAL 83 CO 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.34 1gpw n LEU 85 N 0.00 0.24 0.09 0.00 7.94 -1.19 0.23 117.00 124.32 1gpw n LEU 85 Ca 0.00 1.41 0.12 0.00 -1.11 0.00 0.00 56.01 56.43 1gpw n LEU 85 Cb 0.00 -0.69 0.45 0.00 0.53 0.00 0.00 43.42 43.71 1gpw n LEU 85 CO 0.00 -1.55 0.86 0.61 -1.11 0.00 0.00 177.39 176.20 1gpw n GLY 86 N -1.45 -1.40 0.10 -3.96 0.00 -1.12 -2.07 105.19 95.28 1gpw n GLY 86 Ca 0.39 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.40 1gpw n GLY 86 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1gpw h MET 87 N 0.00 0.00 0.00 1.61 1.85 0.28 -3.26 114.93 115.41 1gpw h MET 87 Ca 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.02 1gpw h MET 87 Cb 0.48 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.50 1gpw h MET 87 CO 0.00 0.50 -0.33 1.96 -0.40 0.00 0.00 176.91 178.63 1gpw h GLN 88 N 0.00 0.00 0.00 0.39 4.20 -1.26 -2.91 115.11 115.53 1gpw h GLN 88 Ca -0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1gpw h GLN 88 Cb 1.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.45 1gpw h GLN 88 CO 0.07 0.33 0.00 1.28 -0.67 0.00 0.00 178.83 179.84 1gpw n LEU 89 N -3.19 0.00 0.09 1.46 4.32 -0.88 -2.18 117.00 116.61 1gpw n LEU 89 Ca 0.03 0.45 0.12 0.00 -0.02 0.00 0.00 56.01 56.59 1gpw n LEU 89 Cb 0.66 -0.45 0.45 0.00 -1.62 0.00 0.00 43.42 42.46 1gpw n LEU 89 CO 0.38 -0.11 0.88 0.18 -1.22 0.00 0.00 177.39 177.50 1gpw n LEU 90 N -1.45 0.62 0.00 2.23 4.77 -1.10 -1.85 117.00 120.23 1gpw n LEU 90 Ca 0.07 0.59 -0.18 0.00 -0.03 0.00 0.00 56.01 56.45 1gpw n LEU 90 Cb 0.24 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 40.98 1gpw n LEU 90 CO 0.20 -0.27 0.39 0.49 -1.33 0.00 0.00 177.39 176.86 1gpw n PHE 91 N -2.12 -2.56 0.04 -1.77 3.01 -0.93 -0.54 117.46 112.59 1gpw n PHE 91 Ca 0.05 -1.80 -0.11 0.00 1.01 0.00 0.00 57.45 56.59 1gpw n PHE 91 Cb 0.35 -0.55 -0.08 0.00 -0.01 0.00 0.00 39.48 39.19 1gpw n PHE 91 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1gpw h GLU 92 N 0.00 -0.18 -3.15 -1.08 5.08 -1.51 -2.39 114.58 111.35 1gpw h GLU 92 Ca -0.26 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1gpw h GLU 92 Cb 1.12 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 1gpw h GLU 92 CO 0.34 0.28 0.14 -1.83 -1.00 0.00 0.00 179.01 176.94 1gpw s GLU 93 N -3.36 1.67 0.02 2.33 -1.05 -1.26 -0.16 118.70 116.89 1gpw s GLU 93 Ca -0.13 -0.99 0.01 0.00 -0.15 0.00 0.00 54.97 53.71 1gpw s GLU 93 Cb 0.00 0.57 -0.02 0.00 -0.44 0.00 0.00 34.13 34.25 1gpw s GLU 93 CO 0.49 -0.75 -0.05 0.45 0.95 0.00 0.00 175.26 176.36 1gpw s SER 94 N -2.92 0.50 0.00 0.83 0.15 -1.26 -0.23 113.70 110.77 1gpw s SER 94 Ca 0.12 -0.38 0.09 0.00 0.70 0.00 0.00 55.95 56.48 1gpw s SER 94 Cb -0.04 0.03 0.45 0.00 -1.71 0.00 0.00 66.02 64.75 1gpw s SER 94 CO 0.05 -0.16 1.17 -0.62 1.20 0.00 0.00 173.24 174.88 1gpw n GLU 95 N 1.98 0.12 0.01 5.44 1.02 -0.88 -1.36 120.64 126.96 1gpw n GLU 95 Ca -0.20 0.21 -0.18 0.00 -0.02 0.00 0.00 57.16 56.97 1gpw n GLU 95 Cb 0.56 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.35 1gpw n GLU 95 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1gpw h GLU 96 N 0.00 0.27 -2.82 3.49 4.81 -1.94 -3.39 114.58 115.00 1gpw h GLU 96 Ca 0.00 -0.36 -0.61 0.00 -0.13 0.00 0.00 59.36 58.26 1gpw h GLU 96 Cb 0.09 0.12 -0.40 0.00 0.63 0.00 0.00 28.75 29.19 1gpw h GLU 96 CO 0.00 1.11 -0.73 0.00 -0.73 0.00 0.00 179.01 178.66 1gpw s ALA 97 N -2.75 2.81 0.10 2.92 0.00 -0.46 -4.92 121.76 119.45 1gpw s ALA 97 Ca -0.15 -3.24 -0.20 0.00 0.00 0.00 0.00 51.96 48.38 1gpw s ALA 97 Cb 0.01 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 1gpw s ALA 97 CO 0.79 -2.05 1.34 -1.00 0.00 0.00 0.00 175.76 174.85 1gpw h PRO 98 N 5.60 -0.01 0.48 0.00 0.13 -1.61 -2.80 132.00 133.78 1gpw h PRO 98 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1gpw h PRO 98 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1gpw h PRO 98 CO 0.57 -0.00 -0.23 0.78 -0.23 0.00 0.00 178.00 178.89 1gpw h GLY 99 N -0.01 -0.67 -6.88 1.56 0.00 -1.96 -3.43 103.07 91.68 1gpw h GLY 99 Ca 0.10 0.25 -0.84 0.00 0.00 0.00 0.00 47.33 46.84 1gpw h GLY 99 CO -0.59 -0.25 0.82 -0.62 0.00 0.00 0.00 176.54 175.90 1gpw n VAL 100 N -5.35 0.06 -2.27 4.60 0.31 -1.06 -4.98 118.33 109.65 1gpw n VAL 100 Ca -0.12 -0.02 -0.29 0.00 -0.01 0.00 0.00 64.34 63.91 1gpw n VAL 100 Cb 0.28 -0.65 0.01 0.00 -0.91 0.00 0.00 33.84 32.57 1gpw n VAL 100 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1gpw s LYS 101 N 3.52 3.47 0.00 5.55 -0.14 -1.26 -4.34 119.74 126.54 1gpw s LYS 101 Ca 1.06 0.41 0.00 0.00 -1.36 0.00 0.00 55.97 56.08 1gpw s LYS 101 Cb -1.41 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 32.51 1gpw s LYS 101 CO 0.77 -0.44 0.00 0.41 -0.76 0.00 0.00 175.35 175.32 1gpw n GLY 102 N -2.53 5.76 0.07 -3.33 0.00 0.77 -4.94 105.19 101.00 1gpw n GLY 102 Ca 0.03 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 1gpw n GLY 102 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gpw h LEU 103 N 0.00 0.03 0.10 0.99 3.38 -1.36 -3.46 115.31 114.98 1gpw h LEU 103 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1gpw h LEU 103 Cb 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gpw h LEU 103 CO 0.00 0.03 -0.02 -1.20 0.09 0.00 0.00 178.44 177.34 1gpw n SER 104 N -5.07 -2.16 0.15 -0.43 7.64 -0.90 -4.93 113.62 107.92 1gpw n SER 104 Ca -0.05 0.01 0.13 0.00 1.01 0.00 0.00 58.87 59.97 1gpw n SER 104 Cb 0.05 -0.72 0.47 0.00 -1.01 0.00 0.00 64.21 63.00 1gpw n SER 104 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1gpw h LEU 105 N 0.00 0.00 -8.01 -3.43 3.38 -1.10 -3.43 115.31 102.73 1gpw h LEU 105 Ca -0.02 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.55 1gpw h LEU 105 Cb 0.56 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.01 1gpw h LEU 105 CO 0.03 0.00 -0.78 -0.63 0.09 0.00 0.00 178.44 177.15 1gpw s ILE 106 N -3.30 0.71 -0.16 1.22 1.01 0.02 -5.04 121.20 115.66 1gpw s ILE 106 Ca 0.06 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1gpw s ILE 106 Cb 0.10 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 1gpw s ILE 106 CO 0.50 0.21 1.56 -1.83 0.00 0.00 0.00 174.94 175.38 1gpw s GLU 107 N -0.09 3.99 0.00 2.79 1.03 -1.26 -4.15 118.70 121.01 1gpw s GLU 107 Ca 0.02 1.82 0.00 0.00 0.03 0.00 0.00 54.97 56.84 1gpw s GLU 107 Cb -0.05 -3.97 0.00 0.00 -0.80 0.00 0.00 34.13 29.31 1gpw s GLU 107 CO -0.00 -1.05 0.00 0.41 -1.33 0.00 0.00 175.26 173.29 1gpw n GLY 108 N 4.31 -1.77 2.94 -3.83 0.00 -1.26 -4.17 105.19 101.40 1gpw n GLY 108 Ca 0.17 -1.50 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 1gpw n GLY 108 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gpw n ASN 109 N 3.00 -0.42 -4.06 1.61 6.94 -0.87 -1.79 115.26 119.67 1gpw n ASN 109 Ca 0.00 -3.00 -0.31 0.00 -0.02 0.00 0.00 54.58 51.25 1gpw n ASN 109 Cb 0.00 1.45 -0.16 0.00 -2.36 0.00 0.00 39.78 38.71 1gpw n ASN 109 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1gpw s VAL 110 N -3.20 1.79 0.18 3.53 1.01 0.68 -1.85 120.40 122.53 1gpw s VAL 110 Ca 0.34 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.64 1gpw s VAL 110 Cb 0.02 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1gpw s VAL 110 CO 0.24 0.49 -0.10 -0.69 0.00 0.00 0.00 175.10 175.04 1gpw s VAL 111 N 1.40 3.15 0.02 2.92 1.01 -1.07 -2.08 120.40 125.75 1gpw s VAL 111 Ca 0.05 -1.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.06 1gpw s VAL 111 Cb -0.13 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1gpw s VAL 111 CO -0.12 -0.10 1.22 -0.75 0.00 0.00 0.00 175.10 175.35 1gpw s LYS 112 N -2.80 4.39 0.51 2.72 2.20 -1.26 -0.50 119.74 125.01 1gpw s LYS 112 Ca 0.25 1.76 -0.20 0.00 -0.36 0.00 0.00 55.97 57.41 1gpw s LYS 112 Cb -0.09 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.70 1gpw s LYS 112 CO 0.15 -0.35 0.65 1.28 -0.36 0.00 0.00 175.35 176.72 1gpw n LEU 113 N 4.46 1.14 -3.81 5.43 4.77 -1.01 -4.85 117.00 123.13 1gpw n LEU 113 Ca 0.10 0.83 -0.42 0.00 -0.03 0.00 0.00 56.01 56.49 1gpw n LEU 113 Cb 0.46 -1.21 0.02 0.00 -2.33 0.00 0.00 43.42 40.36 1gpw n LEU 113 CO 0.56 -2.66 1.30 0.54 -1.33 0.00 0.00 177.39 175.80 1gpw n ARG 114 N 0.04 5.01 -4.24 3.23 3.00 -1.26 -4.95 116.66 117.50 1gpw n ARG 114 Ca 0.11 -4.62 -0.21 0.00 -0.01 0.00 0.00 57.85 53.12 1gpw n ARG 114 Cb 0.44 -2.49 -0.12 0.00 0.00 0.00 0.00 32.46 30.29 1gpw n ARG 114 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1gpw s SER 115 N -1.57 2.15 0.14 0.55 0.15 -1.26 -5.00 113.70 108.86 1gpw s SER 115 Ca 0.35 -0.67 0.26 0.00 0.70 0.00 0.00 55.95 56.59 1gpw s SER 115 Cb 0.12 -0.10 0.68 0.00 -1.71 0.00 0.00 66.02 65.01 1gpw s SER 115 CO -0.02 -0.01 1.61 0.54 1.20 0.00 0.00 173.24 176.56 1gpw n ARG 116 N 1.12 0.22 -2.80 5.44 1.74 -1.26 -3.71 116.66 117.42 1gpw n ARG 116 Ca -0.20 0.13 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 1gpw n ARG 116 Cb 0.54 -1.71 0.01 0.00 -1.02 0.00 0.00 32.46 30.28 1gpw n ARG 116 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1gpw n ARG 117 N -2.07 4.88 -0.04 5.56 3.00 -1.26 -4.94 116.66 121.78 1gpw n ARG 117 Ca 0.05 -4.66 -0.01 0.00 -0.00 0.00 0.00 57.85 53.23 1gpw n ARG 117 Cb 0.42 -2.45 -0.01 0.00 0.00 0.00 0.00 32.46 30.41 1gpw n ARG 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1gpw n LEU 118 N 0.35 -0.10 -4.60 6.15 7.99 -1.24 -4.15 117.00 121.40 1gpw n LEU 118 Ca 0.39 0.40 -0.43 0.00 -0.01 0.00 0.00 56.01 56.37 1gpw n LEU 118 Cb 0.30 -0.14 -0.03 0.00 -0.11 0.00 0.00 43.42 43.44 1gpw n LEU 118 CO 0.56 -0.26 1.57 -2.84 -1.51 0.00 0.00 177.39 174.91 1gpw s PRO 119 N -3.65 3.29 -0.80 3.23 0.02 -1.26 -4.68 135.00 131.15 1gpw s PRO 119 Ca -0.01 1.46 -0.26 0.00 0.02 0.00 0.00 61.00 62.21 1gpw s PRO 119 Cb 0.01 -4.22 0.03 0.00 0.02 0.00 0.00 34.50 30.34 1gpw s PRO 119 CO 0.06 -1.91 1.40 -1.58 -0.33 0.00 0.00 177.00 174.64 1gpw s HIS 120 N 7.12 2.27 -0.13 6.54 2.46 -0.25 -4.95 115.29 128.34 1gpw s HIS 120 Ca 0.81 -0.14 -0.00 0.00 0.47 0.00 0.00 55.06 56.20 1gpw s HIS 120 Cb -0.23 -4.58 0.03 0.00 -0.13 0.00 0.00 32.58 27.67 1gpw s HIS 120 CO 0.33 -2.06 -0.08 1.41 -2.47 0.00 0.00 174.74 171.88 1gpw s MET 121 N 5.72 1.64 0.00 2.88 0.00 -1.26 -2.35 119.30 125.93 1gpw s MET 121 Ca 0.42 -0.38 0.00 0.00 0.00 0.00 0.00 55.69 55.73 1gpw s MET 121 Cb -0.06 -1.79 0.00 0.00 0.00 0.00 0.00 34.83 32.97 1gpw s MET 121 CO 0.09 -0.31 0.00 0.41 0.00 0.00 0.00 175.02 175.21 1gpw n GLY 122 N 4.89 -0.37 3.72 2.11 0.00 -0.56 -4.99 105.19 110.00 1gpw n GLY 122 Ca -0.13 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1gpw n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gpw s TRP 123 N -1.62 3.64 0.05 1.61 0.52 -1.26 -0.90 118.94 120.98 1gpw s TRP 123 Ca 0.00 1.41 -0.01 0.00 0.02 0.00 0.00 56.10 57.52 1gpw s TRP 123 Cb 0.00 -2.87 -0.04 0.00 -1.15 0.00 0.00 33.47 29.41 1gpw s TRP 123 CO 0.00 0.12 -0.03 1.21 0.02 0.00 0.00 176.95 178.27 1gpw s ASN 124 N 0.61 0.52 0.21 2.95 3.84 -0.42 -4.92 114.94 117.73 1gpw s ASN 124 Ca 0.41 -0.99 -0.23 0.00 0.21 0.00 0.00 52.86 52.26 1gpw s ASN 124 Cb -0.19 0.19 -0.08 0.00 -0.55 0.00 0.00 41.25 40.62 1gpw s ASN 124 CO 0.22 -0.59 0.77 -0.70 -2.79 0.00 0.00 177.10 174.01 1gpw s GLU 125 N -3.85 4.43 -0.09 0.43 2.12 -1.26 -1.23 118.70 119.24 1gpw s GLU 125 Ca 0.07 1.05 0.04 0.00 0.36 0.00 0.00 54.97 56.49 1gpw s GLU 125 Cb 0.07 -3.05 -0.00 0.00 0.26 0.00 0.00 34.13 31.42 1gpw s GLU 125 CO -0.10 0.46 -0.24 0.08 -0.54 0.00 0.00 175.26 174.93 1gpw s VAL 126 N -1.36 2.03 -0.22 3.70 1.01 0.23 -4.38 120.40 121.42 1gpw s VAL 126 Ca 0.40 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1gpw s VAL 126 Cb -0.20 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1gpw s VAL 126 CO 0.24 0.56 -0.04 -0.63 0.00 0.00 0.00 175.10 175.22 1gpw s ILE 127 N 0.27 3.40 0.02 2.22 -1.09 -0.10 -2.14 121.20 123.78 1gpw s ILE 127 Ca -0.16 -0.48 -0.02 0.00 -2.23 0.00 0.00 60.65 57.76 1gpw s ILE 127 Cb -0.17 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 1gpw s ILE 127 CO 0.08 0.42 0.20 -0.36 -1.23 0.00 0.00 174.94 174.05 1gpw s PHE 128 N 1.45 3.54 0.20 3.97 0.40 -1.26 -0.47 117.98 125.81 1gpw s PHE 128 Ca 0.05 0.31 0.21 0.00 -0.60 0.00 0.00 56.93 56.90 1gpw s PHE 128 Cb -0.14 -1.80 0.83 0.00 0.51 0.00 0.00 43.02 42.42 1gpw s PHE 128 CO -0.03 0.62 1.80 0.87 0.70 0.00 0.00 175.22 179.18 1gpw h LYS 129 N 3.50 0.00 0.00 0.44 1.57 -1.66 -3.48 116.57 116.94 1gpw h LYS 129 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1gpw h LYS 129 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1gpw h LYS 129 CO 0.72 0.31 0.00 -0.40 -0.57 0.00 0.00 179.45 179.51 1gpw n ASP 130 N -3.55 0.00 0.00 0.86 5.75 -1.26 -5.08 116.55 113.27 1gpw n ASP 130 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1gpw n ASP 130 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1gpw n ASP 130 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1gpw n THR 131 N -0.22 0.00 -1.88 2.12 -1.04 -1.26 -4.87 114.28 107.12 1gpw n THR 131 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1gpw n THR 131 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1gpw n THR 131 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1gpw s PHE 132 N 0.00 3.58 0.04 -1.42 0.40 -1.26 -5.04 117.98 114.29 1gpw s PHE 132 Ca 0.00 1.25 -0.30 0.00 -0.60 0.00 0.00 56.93 57.28 1gpw s PHE 132 Cb 0.00 -2.76 -0.04 0.00 0.51 0.00 0.00 43.02 40.72 1gpw s PHE 132 CO 0.00 -0.75 1.01 -1.25 0.70 0.00 0.00 175.22 174.93 1gpw s PRO 133 N -5.20 4.57 0.35 0.24 0.04 -1.26 -4.84 135.00 128.90 1gpw s PRO 133 Ca 0.55 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 1gpw s PRO 133 Cb -0.11 -3.42 -0.09 0.00 0.04 0.00 0.00 34.50 30.92 1gpw s PRO 133 CO 0.54 -0.02 1.11 -0.80 0.04 0.00 0.00 177.00 177.86 1gpw s ASN 134 N 0.75 6.91 0.00 6.66 0.01 -1.26 -4.91 114.94 123.10 1gpw s ASN 134 Ca 0.52 2.23 0.00 0.00 -0.71 0.00 0.00 52.86 54.90 1gpw s ASN 134 Cb -0.23 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.82 1gpw s ASN 134 CO 0.29 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 1gpw n GLY 135 N 0.78 -0.90 3.79 0.66 0.00 -0.91 -5.00 105.19 103.61 1gpw n GLY 135 Ca 0.02 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 1gpw n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gpw s TYR 136 N -3.00 3.53 0.28 1.61 1.51 -1.26 0.77 117.35 120.79 1gpw s TYR 136 Ca 0.00 0.58 0.04 0.00 -1.01 0.00 0.00 57.07 56.68 1gpw s TYR 136 Cb 0.00 -2.18 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 1gpw s TYR 136 CO 0.00 0.45 0.01 0.71 -1.11 0.00 0.00 175.55 175.61 1gpw s TYR 137 N -0.20 1.83 -0.17 2.71 1.51 -0.37 -4.89 117.35 117.77 1gpw s TYR 137 Ca 0.15 -0.88 -0.15 0.00 -1.01 0.00 0.00 57.07 55.18 1gpw s TYR 137 Cb -0.13 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 1gpw s TYR 137 CO 0.04 0.06 0.36 -0.47 -1.11 0.00 0.00 175.55 174.43 1gpw s TYR 138 N -3.27 3.43 0.07 2.71 5.04 -1.26 -1.30 117.35 122.77 1gpw s TYR 138 Ca 0.32 0.64 0.08 0.00 -2.44 0.00 0.00 57.07 55.67 1gpw s TYR 138 Cb 0.07 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.89 1gpw s TYR 138 CO 0.12 0.11 -0.19 -0.06 -1.34 0.00 0.00 175.55 174.19 1gpw s PHE 139 N 0.88 2.51 -0.48 4.97 0.40 -0.08 -1.53 117.98 124.64 1gpw s PHE 139 Ca 0.19 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.30 1gpw s PHE 139 Cb -0.14 -1.40 0.21 0.00 0.51 0.00 0.00 43.02 42.20 1gpw s PHE 139 CO 0.07 0.29 0.70 0.28 0.70 0.00 0.00 175.22 177.26 1gpw n VAL 140 N 1.26 -0.23 -4.11 -0.44 0.31 -1.20 -1.49 118.33 112.43 1gpw n VAL 140 Ca -0.16 -1.74 -0.10 0.00 -0.01 0.00 0.00 64.34 62.33 1gpw n VAL 140 Cb 0.52 0.52 -0.09 0.00 -0.91 0.00 0.00 33.84 33.88 1gpw n VAL 140 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1gpw s HIS 141 N 0.53 0.78 -0.04 3.52 -3.43 -0.99 -4.99 115.29 110.67 1gpw s HIS 141 Ca 0.31 -1.12 0.03 0.00 -0.80 0.00 0.00 55.06 53.48 1gpw s HIS 141 Cb 0.09 -0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 30.82 1gpw s HIS 141 CO -0.13 -0.60 0.01 2.41 -2.00 0.00 0.00 174.74 174.42 1gpw n THR 142 N -0.16 0.26 -4.01 -5.38 -1.04 -1.26 -1.09 114.28 101.60 1gpw n THR 142 Ca -0.05 -0.15 -0.21 0.00 -2.04 0.00 0.00 64.05 61.60 1gpw n THR 142 Cb 0.64 -0.88 -0.04 0.00 -1.82 0.00 0.00 70.33 68.23 1gpw n THR 142 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1gpw s TYR 143 N -2.09 3.13 0.29 -1.42 1.51 -1.26 -2.41 117.35 115.09 1gpw s TYR 143 Ca -0.02 -0.14 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 1gpw s TYR 143 Cb 0.01 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1gpw s TYR 143 CO 0.15 0.42 0.12 2.89 -1.11 0.00 0.00 175.55 178.02 1gpw n ARG 144 N -1.27 0.63 -4.10 -0.62 1.85 0.35 -4.85 116.66 108.65 1gpw n ARG 144 Ca -0.07 -2.47 -0.32 0.00 -1.00 0.00 0.00 57.85 53.99 1gpw n ARG 144 Cb 0.58 1.42 -0.07 0.00 -1.05 0.00 0.00 32.46 33.35 1gpw n ARG 144 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1gpw s ALA 145 N -2.82 3.57 -0.32 2.89 0.00 -1.26 -2.61 121.76 121.22 1gpw s ALA 145 Ca 0.17 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1gpw s ALA 145 Cb 0.01 -1.54 0.10 0.00 0.00 0.00 0.00 23.12 21.68 1gpw s ALA 145 CO 0.12 0.70 0.08 0.08 0.00 0.00 0.00 175.76 176.74 1gpw s VAL 146 N -1.23 1.33 0.13 0.00 1.01 -0.77 -4.52 120.40 116.34 1gpw s VAL 146 Ca 0.24 -1.70 -0.02 0.00 0.00 0.00 0.00 61.98 60.51 1gpw s VAL 146 Cb -0.12 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1gpw s VAL 146 CO 0.16 -0.64 0.08 0.00 0.00 0.00 0.00 175.10 174.69 1gpw n GLU 148 N -0.10 -1.47 -0.09 0.00 -0.58 -1.26 -4.87 120.64 112.27 1gpw n GLU 148 Ca -0.06 -0.38 -0.04 0.00 -0.42 0.00 0.00 57.16 56.26 1gpw n GLU 148 Cb 0.63 -2.25 0.18 0.00 -0.57 0.00 0.00 31.44 29.43 1gpw n GLU 148 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1gpw h GLU 149 N -2.29 0.75 -1.08 3.49 4.22 -1.99 -3.10 114.58 114.58 1gpw h GLU 149 Ca -0.52 -0.20 0.36 0.00 0.08 0.00 0.00 59.36 59.07 1gpw h GLU 149 Cb 1.30 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 1gpw h GLU 149 CO 0.45 0.77 0.64 1.49 -2.18 0.00 0.00 179.01 180.18 1gpw h GLU 150 N 0.70 0.22 0.00 1.92 4.81 -1.96 -0.44 114.58 119.82 1gpw h GLU 150 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1gpw h GLU 150 Cb 0.45 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1gpw h GLU 150 CO 0.02 0.15 -0.85 0.72 -0.73 0.00 0.00 179.01 178.32 1gpw n HIS 151 N -4.96 0.17 -1.71 0.92 8.25 -1.17 -4.91 115.22 111.81 1gpw n HIS 151 Ca 0.33 0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 57.42 1gpw n HIS 151 Cb 1.12 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.87 1gpw n HIS 151 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1gpw n VAL 152 N -1.77 0.09 0.00 1.59 0.31 -0.18 0.02 118.33 118.40 1gpw n VAL 152 Ca 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1gpw n VAL 152 Cb 0.39 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 1gpw n VAL 152 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1gpw n LEU 153 N 4.37 0.00 -3.82 7.52 -0.00 -1.21 -4.82 117.00 119.03 1gpw n LEU 153 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.05 1gpw n LEU 153 Cb 0.35 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.63 1gpw n LEU 153 CO 0.64 0.00 -0.27 -0.83 -0.00 0.00 0.00 177.39 176.94 1gpw s GLY 154 N -2.50 -0.04 0.06 -3.96 0.00 -1.24 -1.59 107.32 98.04 1gpw s GLY 154 Ca 0.00 0.32 0.09 0.00 0.00 0.00 0.00 44.72 45.12 1gpw s GLY 154 CO 0.00 0.38 -0.24 -1.59 0.00 0.00 0.00 173.10 171.65 1gpw s THR 155 N 0.32 2.37 -0.06 0.90 2.01 0.38 0.56 115.64 122.12 1gpw s THR 155 Ca -0.02 -1.37 -0.10 0.00 0.31 0.00 0.00 61.69 60.50 1gpw s THR 155 Cb -0.04 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.53 1gpw s THR 155 CO -0.01 0.32 0.26 -0.89 -0.69 0.00 0.00 174.62 173.60 1gpw s THR 156 N -0.88 0.03 -0.05 -0.82 2.01 -0.89 -0.92 115.64 114.12 1gpw s THR 156 Ca 0.13 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.94 1gpw s THR 156 Cb -0.10 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 1gpw s THR 156 CO 0.04 -0.13 -0.19 -1.83 -0.69 0.00 0.00 174.62 171.82 1gpw s GLU 157 N -0.48 2.50 -0.15 4.92 4.04 -1.26 -1.27 118.70 127.00 1gpw s GLU 157 Ca -0.06 -0.78 -0.04 0.00 0.04 0.00 0.00 54.97 54.13 1gpw s GLU 157 Cb -0.04 -2.29 0.06 0.00 0.02 0.00 0.00 34.13 31.89 1gpw s GLU 157 CO 0.02 0.53 0.12 -0.47 -1.84 0.00 0.00 175.26 173.62 1gpw s TYR 158 N -0.52 0.03 -0.99 4.83 5.04 0.11 -4.86 117.35 121.00 1gpw s TYR 158 Ca 0.07 0.00 -0.05 0.00 -2.44 0.00 0.00 57.07 54.65 1gpw s TYR 158 Cb -0.11 -0.54 0.01 0.00 0.35 0.00 0.00 41.96 41.67 1gpw s TYR 158 CO 0.01 -0.45 0.85 -3.47 -1.34 0.00 0.00 175.55 171.15 1gpw n ASP 159 N 5.30 -4.46 0.00 4.32 4.64 -1.26 -2.45 116.55 122.64 1gpw n ASP 159 Ca -0.06 -0.42 0.00 0.00 -1.38 0.00 0.00 54.79 52.93 1gpw n ASP 159 Cb 0.49 -3.91 0.00 0.00 -1.04 0.00 0.00 41.12 36.66 1gpw n ASP 159 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1gpw n GLY 160 N -1.50 2.67 3.70 0.27 0.00 -1.26 -4.98 105.19 104.09 1gpw n GLY 160 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1gpw n GLY 160 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gpw s GLU 161 N -0.02 4.44 -0.18 1.61 2.12 -1.02 -5.03 118.70 120.61 1gpw s GLU 161 Ca 0.00 1.65 -0.08 0.00 0.36 0.00 0.00 54.97 56.90 1gpw s GLU 161 Cb 0.00 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1gpw s GLU 161 CO 0.00 -0.27 0.08 0.42 -0.54 0.00 0.00 175.26 174.95 1gpw s ILE 162 N 1.44 4.99 0.04 -3.70 1.01 -1.26 0.06 121.20 123.78 1gpw s ILE 162 Ca 0.56 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 61.20 1gpw s ILE 162 Cb -0.26 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1gpw s ILE 162 CO 0.26 0.46 0.08 0.72 0.00 0.00 0.00 174.94 176.47 1gpw s PHE 163 N 0.28 0.22 -0.38 3.97 -0.12 -0.40 -5.01 117.98 116.55 1gpw s PHE 163 Ca 0.05 -0.54 -0.29 0.00 -0.05 0.00 0.00 56.93 56.10 1gpw s PHE 163 Cb -0.12 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.11 1gpw s PHE 163 CO -0.00 -0.36 1.51 -1.25 -0.05 0.00 0.00 175.22 175.06 1gpw s PRO 164 N -2.66 3.54 0.28 1.99 0.04 -1.26 -2.10 135.00 134.84 1gpw s PRO 164 Ca -0.05 1.10 0.23 0.00 0.04 0.00 0.00 61.00 62.32 1gpw s PRO 164 Cb -0.01 -4.06 0.17 0.00 0.04 0.00 0.00 34.50 30.64 1gpw s PRO 164 CO -0.05 -1.60 1.28 0.66 0.04 0.00 0.00 177.00 177.33 1gpw h SER 165 N 11.16 0.00 -2.92 6.66 4.64 -0.20 -3.41 113.55 129.47 1gpw h SER 165 Ca -0.29 -0.02 -0.49 0.00 -0.47 0.00 0.00 61.79 60.52 1gpw h SER 165 Cb 1.12 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.07 1gpw h SER 165 CO 1.07 0.01 -0.73 0.00 -0.87 0.00 0.00 176.83 176.31 1gpw s ALA 166 N -3.29 2.25 0.04 5.18 0.00 -0.72 0.24 121.76 125.46 1gpw s ALA 166 Ca 0.03 -1.76 -0.11 0.00 0.00 0.00 0.00 51.96 50.12 1gpw s ALA 166 Cb 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1gpw s ALA 166 CO 0.74 0.08 0.23 0.08 0.00 0.00 0.00 175.76 176.89 1gpw s VAL 167 N -2.88 0.10 -0.27 0.00 1.01 -0.36 -3.34 120.40 114.66 1gpw s VAL 167 Ca 0.26 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 1gpw s VAL 167 Cb -0.01 -0.89 0.09 0.00 0.00 0.00 0.00 36.38 35.58 1gpw s VAL 167 CO 0.10 -0.45 0.84 -0.60 0.00 0.00 0.00 175.10 174.99 1gpw s ARG 168 N -2.46 0.71 -0.45 2.72 3.52 0.10 -1.34 118.95 121.75 1gpw s ARG 168 Ca -0.06 0.85 0.06 0.00 -0.13 0.00 0.00 55.73 56.45 1gpw s ARG 168 Cb -0.01 0.35 0.20 0.00 -1.56 0.00 0.00 34.95 33.92 1gpw s ARG 168 CO -0.03 -0.09 0.53 1.17 -0.81 0.00 0.00 175.30 176.08 1gpw n LYS 169 N 2.51 0.43 0.00 5.12 4.81 -0.94 -4.18 118.16 125.91 1gpw n LYS 169 Ca -0.13 -2.71 0.00 0.00 -0.87 0.00 0.00 58.31 54.59 1gpw n LYS 169 Cb 0.55 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1gpw n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gpw n GLY 170 N 2.53 1.73 0.53 3.14 0.00 -1.26 -2.92 105.19 108.95 1gpw n GLY 170 Ca 0.23 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1gpw n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gpw n ARG 171 N 0.00 1.31 -3.12 1.61 1.74 -1.26 -4.88 116.66 112.06 1gpw n ARG 171 Ca 0.00 -1.07 -0.39 0.00 -0.77 0.00 0.00 57.85 55.62 1gpw n ARG 171 Cb 0.00 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 1gpw n ARG 171 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1gpw s ILE 172 N -2.43 4.91 0.02 0.55 1.01 -1.15 -2.45 121.20 121.67 1gpw s ILE 172 Ca 0.20 1.37 0.03 0.00 0.00 0.00 0.00 60.65 62.24 1gpw s ILE 172 Cb 0.18 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1gpw s ILE 172 CO 0.54 0.36 -0.09 -0.76 0.00 0.00 0.00 174.94 175.00 1gpw s LEU 173 N 0.10 2.14 0.04 2.97 1.43 0.46 -2.22 118.68 123.60 1gpw s LEU 173 Ca 0.34 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1gpw s LEU 173 Cb -0.18 -0.35 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 1gpw s LEU 173 CO 0.18 -0.03 -0.11 -0.83 0.23 0.00 0.00 176.35 175.79 1gpw s GLY 174 N -0.92 0.65 -0.04 -3.19 0.00 -0.45 0.12 107.32 103.49 1gpw s GLY 174 Ca -0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 1gpw s GLY 174 CO 0.00 -0.76 0.08 -1.36 0.00 0.00 0.00 173.10 171.07 1gpw s PHE 175 N -0.97 -0.05 -0.45 1.90 0.40 -0.90 -1.23 117.98 116.67 1gpw s PHE 175 Ca -0.02 0.30 0.23 0.00 -0.60 0.00 0.00 56.93 56.84 1gpw s PHE 175 Cb -0.08 -0.19 0.32 0.00 0.51 0.00 0.00 43.02 43.59 1gpw s PHE 175 CO 0.01 -0.13 1.45 0.37 0.70 0.00 0.00 175.22 177.62 1gpw h GLN 176 N 7.36 0.00 -6.85 0.44 5.75 -0.54 0.24 115.11 121.51 1gpw h GLN 176 Ca -0.42 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 57.63 1gpw h GLN 176 Cb 1.13 0.00 0.05 0.00 1.07 0.00 0.00 27.48 29.73 1gpw h GLN 176 CO 0.43 0.00 -0.03 -0.59 -2.65 0.00 0.00 178.83 176.00 1gpw s PHE 177 N -3.23 2.33 -0.94 3.99 -0.71 -1.26 -4.29 117.98 113.87 1gpw s PHE 177 Ca 0.06 -0.21 -0.12 0.00 -1.04 0.00 0.00 56.93 55.61 1gpw s PHE 177 Cb 0.08 -2.72 0.24 0.00 -1.21 0.00 0.00 43.02 39.41 1gpw s PHE 177 CO 0.70 -1.09 0.91 -1.01 -1.34 0.00 0.00 175.22 173.39 1gpw s HIS 178 N -2.81 3.92 0.58 3.49 3.76 -0.58 -4.29 115.29 119.35 1gpw s HIS 178 Ca 0.60 -2.23 0.29 0.00 -0.15 0.00 0.00 55.06 53.57 1gpw s HIS 178 Cb -0.08 -3.85 1.50 0.00 1.11 0.00 0.00 32.58 31.26 1gpw s HIS 178 CO 0.40 -1.00 1.94 -1.00 -0.85 0.00 0.00 174.74 174.22 1gpw h PRO 179 N 7.41 0.00 0.00 8.40 0.13 -1.90 0.23 132.00 146.26 1gpw h PRO 179 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1gpw h PRO 179 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1gpw h PRO 179 CO 0.86 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.56 1gpw h GLU 180 N 0.00 0.00 -0.34 0.86 3.07 -1.89 -2.60 114.58 113.67 1gpw h GLU 180 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1gpw h GLU 180 Cb 1.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1gpw h GLU 180 CO -0.00 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 1gpw n LYS 181 N -3.01 2.74 -1.25 2.33 4.76 0.78 -4.68 118.16 119.82 1gpw n LYS 181 Ca 0.00 -2.02 -0.27 0.00 -2.87 0.00 0.00 58.31 53.15 1gpw n LYS 181 Cb 0.25 -1.28 0.15 0.00 -1.84 0.00 0.00 35.03 32.32 1gpw n LYS 181 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1gpw n SER 182 N 0.56 4.87 0.00 4.39 7.64 -0.98 -4.63 113.62 125.47 1gpw n SER 182 Ca 0.12 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.35 1gpw n SER 182 Cb 0.43 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1gpw n SER 182 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1gpw n SER 183 N -1.07 0.00 -0.23 6.43 2.88 -1.26 -1.10 113.62 119.27 1gpw n SER 183 Ca 0.60 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 58.08 1gpw n SER 183 Cb 1.38 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.89 1gpw n SER 183 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1gpw h LYS 184 N 0.00 0.92 -0.43 -1.46 1.57 -1.97 -2.58 116.57 112.62 1gpw h LYS 184 Ca 0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1gpw h LYS 184 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1gpw h LYS 184 CO 0.00 0.70 0.23 0.97 -0.57 0.00 0.00 179.45 180.78 1gpw h ILE 185 N 0.90 1.14 -0.50 1.86 -0.00 -1.89 -2.46 117.51 116.54 1gpw h ILE 185 Ca 0.23 -0.34 -0.08 0.00 -0.00 0.00 0.00 64.86 64.67 1gpw h ILE 185 Cb 0.05 0.56 -0.02 0.00 -0.00 0.00 0.00 36.82 37.41 1gpw h ILE 185 CO -0.04 0.15 0.01 1.23 -0.00 0.00 0.00 178.15 179.50 1gpw h GLY 186 N 0.67 0.91 1.39 8.18 0.00 -0.70 -2.43 103.07 111.09 1gpw h GLY 186 Ca 0.15 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 1gpw h GLY 186 CO -0.03 0.57 -0.32 -0.09 0.00 0.00 0.00 176.54 176.67 1gpw h ARG 187 N 0.79 0.69 -0.15 4.80 2.43 -1.35 -0.41 114.38 121.18 1gpw h ARG 187 Ca 0.15 -0.32 -0.12 0.00 -0.81 0.00 0.00 59.98 58.88 1gpw h ARG 187 Cb 0.46 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1gpw h ARG 187 CO 0.02 0.92 -0.44 -0.22 -1.51 0.00 0.00 179.97 178.74 1gpw h LYS 188 N 0.58 0.35 -0.31 0.20 3.64 -1.40 0.18 116.57 119.82 1gpw h LYS 188 Ca 0.07 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1gpw h LYS 188 Cb 0.83 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1gpw h LYS 188 CO 0.07 0.73 0.02 1.25 -2.27 0.00 0.00 179.45 179.25 1gpw h LEU 189 N 0.29 0.52 -0.83 5.20 7.12 -1.12 0.11 115.31 126.59 1gpw h LEU 189 Ca 0.02 -0.29 -0.07 0.00 0.13 0.00 0.00 57.88 57.67 1gpw h LEU 189 Cb 0.89 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.86 1gpw h LEU 189 CO 0.07 0.68 0.12 -0.07 -0.13 0.00 0.00 178.44 179.12 1gpw h LEU 190 N 0.35 0.94 -0.21 2.25 4.07 -0.83 -2.44 115.31 119.43 1gpw h LEU 190 Ca 0.09 -0.20 -0.08 0.00 0.08 0.00 0.00 57.88 57.77 1gpw h LEU 190 Cb 0.40 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 1gpw h LEU 190 CO 0.01 0.93 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.77 1gpw h GLU 191 N 0.94 0.51 -0.72 1.13 5.08 -0.42 -2.72 114.58 118.37 1gpw h GLU 191 Ca 0.20 -0.26 0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1gpw h GLU 191 Cb 0.38 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1gpw h GLU 191 CO 0.01 0.84 0.48 -0.22 -1.00 0.00 0.00 179.01 179.11 1gpw h LYS 192 N 0.19 0.56 0.48 2.33 1.63 -0.68 0.15 116.57 121.24 1gpw h LYS 192 Ca 0.04 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1gpw h LYS 192 Cb 0.74 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1gpw h LYS 192 CO 0.05 0.37 -0.23 0.28 -3.45 0.00 0.00 179.45 176.47 1gpw h VAL 193 N 0.58 0.51 -0.59 2.00 2.07 -1.24 -1.60 116.25 117.98 1gpw h VAL 193 Ca 0.34 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.76 1gpw h VAL 193 Cb 0.53 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1gpw h VAL 193 CO -0.12 0.03 0.40 0.40 0.02 0.00 0.00 177.57 178.31 1gpw h ILE 194 N -0.77 0.90 0.00 4.57 2.04 -0.84 0.09 117.51 123.51 1gpw h ILE 194 Ca -0.07 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1gpw h ILE 194 Cb 0.55 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1gpw h ILE 194 CO 0.11 0.07 -0.11 -0.33 0.00 0.00 0.00 178.15 177.90 1gpw h GLU 195 N 0.41 0.00 0.00 2.37 5.08 -0.51 -2.84 114.58 119.09 1gpw h GLU 195 Ca 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1gpw h GLU 195 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1gpw h GLU 195 CO -0.07 0.11 -0.46 0.00 -1.00 0.00 0.00 179.01 177.58 1gpw n SER 197 N -3.00 0.69 -0.66 0.00 3.41 -0.95 -3.70 113.62 109.41 1gpw n SER 197 Ca 0.02 -0.51 -0.00 0.00 -0.26 0.00 0.00 58.87 58.12 1gpw n SER 197 Cb 0.60 0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.68 1gpw n SER 197 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1gpw n LEU 198 N -1.09 1.62 -3.55 1.04 4.77 -1.15 -4.61 117.00 114.02 1gpw n LEU 198 Ca 0.09 -0.81 -0.12 0.00 -0.03 0.00 0.00 56.01 55.14 1gpw n LEU 198 Cb 0.33 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 1gpw n LEU 198 CO 0.30 0.32 -0.09 -0.94 -1.33 0.00 0.00 177.39 175.65 1gpw s SER 199 N 0.24 0.37 0.00 -1.43 1.04 -1.24 -5.12 113.70 107.56 1gpw s SER 199 Ca 0.01 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1gpw s SER 199 Cb 0.01 0.89 0.00 0.00 0.10 0.00 0.00 66.02 67.02 1gpw s SER 199 CO 0.00 -0.27 0.00 -2.11 0.98 0.00 0.00 173.24 171.84