#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghw n GLY 2 N 0.00 1.27 3.79 2.92 0.00 0.15 -5.03 105.19 108.28 3ghw n GLY 2 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 3ghw n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ghw s SER 3 N -1.00 4.38 -0.10 1.61 1.04 -1.26 -4.74 113.70 113.62 3ghw s SER 3 Ca 0.00 1.37 0.01 0.00 0.48 0.00 0.00 55.95 57.80 3ghw s SER 3 Cb 0.00 -2.10 -0.02 0.00 0.10 0.00 0.00 66.02 64.00 3ghw s SER 3 CO 0.00 -2.05 -0.12 -0.22 0.98 0.00 0.00 173.24 171.83 3ghw s LEU 4 N -5.84 2.83 -0.07 2.42 2.96 -1.26 -0.53 118.68 119.19 3ghw s LEU 4 Ca 0.61 -0.24 -0.10 0.00 -0.22 0.00 0.00 54.13 54.18 3ghw s LEU 4 Cb -0.15 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.94 3ghw s LEU 4 CO 0.55 0.24 0.26 0.20 -1.32 0.00 0.00 176.35 176.27 3ghw s ASN 5 N -0.06 -0.22 0.15 3.68 0.01 -0.37 -2.45 114.94 115.68 3ghw s ASN 5 Ca -0.02 0.34 0.07 0.00 -0.71 0.00 0.00 52.86 52.54 3ghw s ASN 5 Cb -0.14 0.45 -0.04 0.00 0.41 0.00 0.00 41.25 41.93 3ghw s ASN 5 CO 0.04 -0.21 0.00 0.00 -1.51 0.00 0.00 177.10 175.42 3ghw s ILE 7 N -1.60 0.30 0.03 0.00 2.07 -0.76 -0.61 121.20 120.62 3ghw s ILE 7 Ca 0.27 -0.15 -0.24 0.00 -1.41 0.00 0.00 60.65 59.12 3ghw s ILE 7 Cb -0.10 -0.26 0.05 0.00 0.13 0.00 0.00 42.46 42.28 3ghw s ILE 7 CO 0.19 0.09 0.54 0.54 -1.91 0.00 0.00 174.94 174.39 3ghw s VAL 8 N -0.03 0.02 -0.07 4.00 0.11 -0.51 -4.57 120.40 119.36 3ghw s VAL 8 Ca 0.01 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 3ghw s VAL 8 Cb -0.02 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 3ghw s VAL 8 CO -0.00 -0.11 -0.15 0.00 -3.33 0.00 0.00 175.10 171.51 3ghw s ALA 9 N -2.14 2.62 -0.04 1.54 0.00 -1.26 -0.93 121.76 121.55 3ghw s ALA 9 Ca -0.07 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 3ghw s ALA 9 Cb -0.01 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.12 3ghw s ALA 9 CO 0.01 0.46 0.10 0.54 0.00 0.00 0.00 175.76 176.87 3ghw s VAL 10 N -0.40 -0.01 0.95 0.00 0.11 0.02 -4.63 120.40 116.43 3ghw s VAL 10 Ca 0.04 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.00 3ghw s VAL 10 Cb -0.12 -0.16 0.17 0.00 -1.53 0.00 0.00 36.38 34.74 3ghw s VAL 10 CO 0.02 0.02 1.22 -0.94 -3.33 0.00 0.00 175.10 172.09 3ghw s SER 11 N 0.35 3.17 0.45 3.54 1.04 -0.51 -0.57 113.70 121.17 3ghw s SER 11 Ca -0.02 0.60 0.12 0.00 0.48 0.00 0.00 55.95 57.12 3ghw s SER 11 Cb -0.04 -0.90 1.01 0.00 0.10 0.00 0.00 66.02 66.20 3ghw s SER 11 CO -0.01 -2.73 2.06 -0.61 0.98 0.00 0.00 173.24 172.92 3ghw h GLN 12 N -1.63 0.21 -0.82 4.02 4.15 -0.95 -0.11 115.11 119.99 3ghw h GLN 12 Ca -0.46 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 58.92 3ghw h GLN 12 Cb 1.29 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 3ghw h GLN 12 CO 0.49 0.21 0.02 0.27 -1.93 0.00 0.00 178.83 177.89 3ghw n ASN 13 N -4.44 3.26 -1.13 -0.69 6.94 -1.26 -4.88 115.26 113.06 3ghw n ASN 13 Ca -0.01 -2.46 -0.13 0.00 -0.02 0.00 0.00 54.58 51.96 3ghw n ASN 13 Cb 0.14 -0.59 -0.04 0.00 -2.36 0.00 0.00 39.78 36.92 3ghw n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3ghw n MET 14 N 0.26 -0.94 -2.86 -3.83 2.81 -0.05 -4.97 117.12 107.53 3ghw n MET 14 Ca 0.14 0.87 -0.39 0.00 -1.81 0.00 0.00 57.70 56.51 3ghw n MET 14 Cb 0.73 -4.97 -0.06 0.00 -0.71 0.00 0.00 33.22 28.21 3ghw n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3ghw s GLY 15 N -2.74 2.93 0.00 3.03 0.00 -1.26 -0.56 107.32 108.73 3ghw s GLY 15 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.19 3ghw s GLY 15 CO 0.00 0.97 0.00 0.29 0.00 0.00 0.00 173.10 174.36 3ghw n ILE 16 N 1.21 0.00 -3.60 0.90 -5.35 -0.04 -1.42 119.36 111.06 3ghw n ILE 16 Ca -0.02 -0.11 -0.13 0.00 -0.27 0.00 0.00 62.75 62.22 3ghw n ILE 16 Cb 0.49 0.57 -0.05 0.00 -1.74 0.00 0.00 39.64 38.90 3ghw n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ghw s GLY 17 N -1.38 -0.36 -0.20 3.28 0.00 -1.01 -4.39 107.32 103.27 3ghw s GLY 17 Ca 0.00 0.34 -0.08 0.00 0.00 0.00 0.00 44.72 44.98 3ghw s GLY 17 CO 0.00 0.06 0.44 1.25 0.00 0.00 0.00 173.10 174.85 3ghw s LYS 18 N -2.90 0.36 -1.45 2.90 2.20 0.38 -0.74 119.74 120.48 3ghw s LYS 18 Ca -0.03 1.04 -0.09 0.00 -0.36 0.00 0.00 55.97 56.53 3ghw s LYS 18 Cb -0.00 0.32 0.04 0.00 -1.51 0.00 0.00 37.83 36.68 3ghw s LYS 18 CO -0.05 -0.23 0.94 0.09 -0.36 0.00 0.00 175.35 175.74 3ghw n ASN 19 N 5.23 -5.69 0.00 1.43 3.02 -1.26 -1.63 115.26 116.36 3ghw n ASN 19 Ca -0.11 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 3ghw n ASN 19 Cb 0.50 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 3ghw n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ghw n GLY 20 N -1.75 0.57 1.07 7.41 0.00 -1.26 -4.99 105.19 106.25 3ghw n GLY 20 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 3ghw n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ghw n ASP 21 N 0.00 -0.28 -4.83 1.61 -0.08 -0.64 -4.61 116.55 107.71 3ghw n ASP 21 Ca 0.00 -1.71 -0.32 0.00 -1.51 0.00 0.00 54.79 51.25 3ghw n ASP 21 Cb 0.00 0.61 -0.04 0.00 2.34 0.00 0.00 41.12 44.04 3ghw n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3ghw s LEU 22 N 0.00 3.68 0.48 -2.67 1.43 -1.26 -0.47 118.68 119.87 3ghw s LEU 22 Ca 0.13 1.63 0.26 0.00 -1.03 0.00 0.00 54.13 55.12 3ghw s LEU 22 Cb 0.00 -4.52 1.17 0.00 0.03 0.00 0.00 46.19 42.87 3ghw s LEU 22 CO 0.09 -0.61 1.94 -0.65 0.23 0.00 0.00 176.35 177.35 3ghw h PRO 23 N 1.09 0.00 -6.20 1.29 0.11 -1.84 -3.41 132.00 123.05 3ghw h PRO 23 Ca -0.47 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.09 3ghw h PRO 23 Cb 1.19 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 3ghw h PRO 23 CO 0.61 0.18 -0.61 1.67 -0.21 0.00 0.00 178.00 179.64 3ghw s TRP 24 N -3.88 2.81 1.00 0.65 -2.14 -1.26 -4.80 118.94 111.32 3ghw s TRP 24 Ca -0.01 -0.20 -0.12 0.00 2.66 0.00 0.00 56.10 58.43 3ghw s TRP 24 Cb 0.11 -1.26 0.19 0.00 -3.10 0.00 0.00 33.47 29.41 3ghw s TRP 24 CO 0.61 0.59 1.08 -1.25 -2.66 0.00 0.00 176.95 175.31 3ghw s PRO 25 N -3.73 0.38 0.15 3.25 0.04 -1.26 -4.88 135.00 128.96 3ghw s PRO 25 Ca 0.32 0.87 -0.32 0.00 0.04 0.00 0.00 61.00 61.91 3ghw s PRO 25 Cb -0.07 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.65 3ghw s PRO 25 CO 0.21 -2.86 1.76 -2.30 0.04 0.00 0.00 177.00 173.85 3ghw n PRO 26 N -4.32 2.65 -3.70 0.56 -0.02 -1.26 -4.96 135.00 123.96 3ghw n PRO 26 Ca 0.06 0.96 -0.37 0.00 -2.02 0.00 0.00 63.50 62.13 3ghw n PRO 26 Cb 0.55 -2.82 -0.10 0.00 -0.02 0.00 0.00 33.50 31.11 3ghw n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ghw s LEU 27 N 1.94 5.37 0.20 2.45 1.43 -1.26 -4.93 118.68 123.89 3ghw s LEU 27 Ca 0.80 -2.42 -0.09 0.00 -1.03 0.00 0.00 54.13 51.39 3ghw s LEU 27 Cb -0.53 -1.88 0.12 0.00 0.03 0.00 0.00 46.19 43.93 3ghw s LEU 27 CO 0.36 -0.49 1.74 -0.09 0.23 0.00 0.00 176.35 178.10 3ghw h ARG 28 N 7.63 1.12 0.00 1.70 9.65 -1.98 -0.62 114.38 131.87 3ghw h ARG 28 Ca -0.08 -0.24 -0.10 0.00 -1.10 0.00 0.00 59.98 58.47 3ghw h ARG 28 Cb 1.01 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.41 3ghw h ARG 28 CO 0.73 0.95 -0.46 -0.91 2.80 0.00 0.00 179.97 183.08 3ghw h ASN 29 N 1.06 0.00 -0.35 -3.80 2.35 -1.98 -0.63 115.58 112.23 3ghw h ASN 29 Ca 0.23 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 3ghw h ASN 29 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3ghw h ASN 29 CO -0.01 0.46 0.01 -0.08 -1.65 0.00 0.00 177.43 176.17 3ghw h GLU 30 N 0.00 0.61 -0.95 0.81 4.22 -1.73 -0.70 114.58 116.84 3ghw h GLU 30 Ca -0.00 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 59.25 3ghw h GLU 30 Cb 0.87 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 3ghw h GLU 30 CO 0.06 0.72 0.59 0.74 -2.18 0.00 0.00 179.01 178.95 3ghw h PHE 31 N 0.43 1.23 -0.28 0.92 0.04 -0.96 -1.40 116.94 116.91 3ghw h PHE 31 Ca 0.10 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 3ghw h PHE 31 Cb 0.44 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3ghw h PHE 31 CO 0.03 0.80 -0.03 0.00 -0.60 0.00 0.00 178.31 178.51 3ghw h ARG 32 N 1.30 0.43 -0.10 1.51 2.47 -0.81 -0.29 114.38 118.89 3ghw h ARG 32 Ca 0.34 -0.09 -0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3ghw h ARG 32 Cb -0.09 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.16 3ghw h ARG 32 CO -0.07 0.48 0.04 -0.92 0.56 0.00 0.00 179.97 180.07 3ghw h TYR 33 N 0.41 0.14 -0.72 3.04 5.03 -0.59 -0.12 116.97 124.17 3ghw h TYR 33 Ca 0.09 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.51 3ghw h TYR 33 Cb 0.32 -0.04 -0.08 0.00 1.55 0.00 0.00 36.73 38.47 3ghw h TYR 33 CO 0.01 0.22 0.30 0.35 -1.32 0.00 0.00 178.16 177.72 3ghw h PHE 34 N 0.02 0.52 -0.25 -3.82 3.57 -0.90 -0.10 116.94 115.98 3ghw h PHE 34 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3ghw h PHE 34 Cb 0.14 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3ghw h PHE 34 CO -0.03 0.11 0.08 0.37 -2.23 0.00 0.00 178.31 176.62 3ghw h GLN 35 N 0.48 0.38 -0.38 1.11 4.15 -0.67 -1.24 115.11 118.93 3ghw h GLN 35 Ca 0.38 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 3ghw h GLN 35 Cb 0.51 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 3ghw h GLN 35 CO -0.35 0.45 0.21 -0.09 -1.93 0.00 0.00 178.83 177.12 3ghw h ARG 36 N 0.23 0.53 -0.18 1.69 2.43 -0.65 -0.67 114.38 117.76 3ghw h ARG 36 Ca 0.08 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3ghw h ARG 36 Cb 0.22 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3ghw h ARG 36 CO -0.00 0.42 0.02 0.52 -1.51 0.00 0.00 179.97 179.41 3ghw h MET 37 N 0.49 0.30 0.00 0.20 2.86 -0.91 -1.90 114.93 115.97 3ghw h MET 37 Ca 0.13 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3ghw h MET 37 Cb 0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3ghw h MET 37 CO -0.02 0.49 -0.38 1.79 1.06 0.00 0.00 176.91 179.84 3ghw h THR 38 N 0.07 0.83 0.01 2.22 1.35 -1.20 -3.29 112.91 112.91 3ghw h THR 38 Ca 0.05 -1.63 -0.28 0.00 -0.55 0.00 0.00 66.41 64.00 3ghw h THR 38 Cb 0.34 2.02 -0.05 0.00 -1.73 0.00 0.00 68.15 68.74 3ghw h THR 38 CO 0.01 0.38 -1.63 0.74 -0.25 0.00 0.00 175.52 174.77 3ghw h THR 39 N 0.00 0.95 -2.90 6.82 2.02 -1.07 -3.43 112.91 115.31 3ghw h THR 39 Ca -0.00 -2.78 -0.56 0.00 0.77 0.00 0.00 66.41 63.83 3ghw h THR 39 Cb 0.99 2.48 -0.03 0.00 -1.74 0.00 0.00 68.15 69.85 3ghw h THR 39 CO 0.05 0.57 0.90 -0.89 0.37 0.00 0.00 175.52 176.52 3ghw s THR 40 N -2.61 4.19 -0.12 3.16 2.01 -0.72 -4.60 115.64 116.96 3ghw s THR 40 Ca -0.05 1.46 0.02 0.00 0.31 0.00 0.00 61.69 63.43 3ghw s THR 40 Cb 0.08 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.67 3ghw s THR 40 CO 0.82 -0.11 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.93 3ghw s SER 41 N 2.06 2.56 0.29 3.53 0.15 -1.26 -4.93 113.70 116.10 3ghw s SER 41 Ca 0.57 -0.46 0.26 0.00 0.70 0.00 0.00 55.95 57.02 3ghw s SER 41 Cb -0.23 -1.15 0.83 0.00 -1.71 0.00 0.00 66.02 63.75 3ghw s SER 41 CO 0.17 0.02 1.75 0.77 1.20 0.00 0.00 173.24 177.15 3ghw h SER 42 N 7.45 0.00 -3.55 5.45 4.64 -1.95 -3.45 113.55 122.14 3ghw h SER 42 Ca -0.32 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.39 3ghw h SER 42 Cb 1.17 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.14 3ghw h SER 42 CO 0.50 0.00 0.05 -0.69 -0.87 0.00 0.00 176.83 175.83 3ghw s VAL 43 N -3.22 5.02 0.28 0.95 1.01 -1.26 -5.03 120.40 118.15 3ghw s VAL 43 Ca 0.08 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 3ghw s VAL 43 Cb 0.10 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 3ghw s VAL 43 CO 0.55 0.02 1.63 -1.61 0.00 0.00 0.00 175.10 175.69 3ghw s GLU 44 N 2.41 4.12 -0.64 2.72 2.02 -1.26 -2.37 118.70 125.71 3ghw s GLU 44 Ca 0.23 2.59 0.00 0.00 0.02 0.00 0.00 54.97 57.81 3ghw s GLU 44 Cb -0.15 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.04 3ghw s GLU 44 CO 0.10 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.12 3ghw n GLY 45 N 2.55 0.83 3.40 -1.39 0.00 -1.26 -5.02 105.19 104.30 3ghw n GLY 45 Ca 0.10 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 3ghw n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ghw s LYS 46 N -2.24 1.47 0.28 1.61 1.02 -1.00 -4.85 119.74 116.05 3ghw s LYS 46 Ca 0.00 -1.68 0.10 0.00 0.02 0.00 0.00 55.97 54.41 3ghw s LYS 46 Cb 0.00 -1.31 -0.05 0.00 -0.52 0.00 0.00 37.83 35.95 3ghw s LYS 46 CO 0.00 0.19 -0.14 -0.65 -0.92 0.00 0.00 175.35 173.84 3ghw s GLN 47 N -3.62 1.64 0.46 1.68 -0.21 -0.48 -4.89 119.66 114.24 3ghw s GLN 47 Ca 0.26 -1.79 -0.12 0.00 0.02 0.00 0.00 55.36 53.73 3ghw s GLN 47 Cb -0.01 -1.54 -0.06 0.00 1.00 0.00 0.00 33.01 32.40 3ghw s GLN 47 CO 0.10 0.21 0.86 -0.80 -2.12 0.00 0.00 175.29 173.53 3ghw s ASN 48 N -3.49 6.50 -0.16 5.90 0.01 -1.26 -0.96 114.94 121.48 3ghw s ASN 48 Ca 0.29 1.27 -0.04 0.00 -0.71 0.00 0.00 52.86 53.67 3ghw s ASN 48 Cb -0.01 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 3ghw s ASN 48 CO 0.14 -0.51 -0.03 -0.22 -1.51 0.00 0.00 177.10 174.96 3ghw s LEU 49 N -4.11 3.30 -0.19 0.60 2.96 -0.17 -1.02 118.68 120.06 3ghw s LEU 49 Ca 0.53 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 54.27 3ghw s LEU 49 Cb -0.10 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3ghw s LEU 49 CO 0.35 0.17 0.05 0.68 -1.32 0.00 0.00 176.35 176.28 3ghw s VAL 50 N 0.35 4.67 -0.14 1.68 -7.23 0.28 -0.40 120.40 119.60 3ghw s VAL 50 Ca -0.03 -0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.06 3ghw s VAL 50 Cb -0.14 -3.11 -0.01 0.00 0.56 0.00 0.00 36.38 33.68 3ghw s VAL 50 CO 0.03 0.45 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.51 3ghw s ILE 51 N 0.47 3.02 0.01 -0.62 1.01 -0.15 -1.05 121.20 123.89 3ghw s ILE 51 Ca 0.02 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 3ghw s ILE 51 Cb -0.13 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3ghw s ILE 51 CO 0.01 0.51 0.21 0.00 0.00 0.00 0.00 174.94 175.68 3ghw s MET 52 N 0.53 0.60 0.91 2.79 0.23 -0.65 -1.23 119.30 122.47 3ghw s MET 52 Ca -0.08 -0.38 -0.12 0.00 -1.03 0.00 0.00 55.69 54.08 3ghw s MET 52 Cb -0.16 0.26 0.14 0.00 -1.53 0.00 0.00 34.83 33.54 3ghw s MET 52 CO 0.04 -0.16 1.09 0.20 -2.03 0.00 0.00 175.02 174.16 3ghw s GLY 53 N -1.52 1.61 0.18 3.16 0.00 0.24 -0.45 107.32 110.54 3ghw s GLY 53 Ca -0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.36 3ghw s GLY 53 CO 0.01 0.39 1.80 1.70 0.00 0.00 0.00 173.10 177.01 3ghw h LYS 54 N -1.59 0.87 -0.38 2.90 3.64 -1.86 -1.61 116.57 118.54 3ghw h LYS 54 Ca -0.50 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 58.69 3ghw h LYS 54 Cb 1.29 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3ghw h LYS 54 CO 0.55 0.65 -0.17 0.87 -2.27 0.00 0.00 179.45 179.08 3ghw h LYS 55 N 0.85 0.71 -0.43 1.90 6.56 -1.93 -2.37 116.57 121.86 3ghw h LYS 55 Ca 0.22 -0.25 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 3ghw h LYS 55 Cb 0.02 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 3ghw h LYS 55 CO -0.04 0.83 0.26 1.15 -2.06 0.00 0.00 179.45 179.60 3ghw h THR 56 N 0.63 1.13 -0.17 -0.16 2.02 -1.80 -0.48 112.91 114.08 3ghw h THR 56 Ca 0.10 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 67.04 3ghw h THR 56 Cb 0.64 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.53 3ghw h THR 56 CO 0.04 0.13 -0.34 -0.25 0.37 0.00 0.00 175.52 175.48 3ghw h TRP 57 N 0.57 -0.94 0.00 3.16 2.91 -1.03 -1.94 115.95 118.68 3ghw h TRP 57 Ca 0.15 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.22 3ghw h TRP 57 Cb -0.01 0.44 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 3ghw h TRP 57 CO -0.04 -0.41 0.00 1.19 -1.03 0.00 0.00 178.44 178.16 3ghw n PHE 58 N -5.41 0.28 0.69 2.65 3.01 -0.92 -2.00 117.46 115.76 3ghw n PHE 58 Ca -0.03 0.10 0.13 0.00 1.01 0.00 0.00 57.45 58.67 3ghw n PHE 58 Cb 0.33 -0.67 0.45 0.00 -0.01 0.00 0.00 39.48 39.59 3ghw n PHE 58 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ghw n SER 59 N -1.75 0.63 -4.74 4.37 3.41 -0.22 -4.76 113.62 110.56 3ghw n SER 59 Ca 0.04 0.56 -0.40 0.00 -0.26 0.00 0.00 58.87 58.81 3ghw n SER 59 Cb 0.23 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.40 3ghw n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ghw s ILE 60 N -3.09 4.74 0.19 -1.33 1.01 -0.85 -4.93 121.20 116.94 3ghw s ILE 60 Ca 0.11 1.63 -0.32 0.00 0.00 0.00 0.00 60.65 62.07 3ghw s ILE 60 Cb 0.14 -4.12 -0.15 0.00 0.01 0.00 0.00 42.46 38.34 3ghw s ILE 60 CO 0.57 0.36 1.24 -2.65 0.00 0.00 0.00 174.94 174.45 3ghw n PRO 61 N 2.85 1.44 -0.06 2.79 -0.02 -1.26 -4.82 135.00 135.91 3ghw n PRO 61 Ca -0.02 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.10 3ghw n PRO 61 Cb 0.50 -2.06 0.53 0.00 -0.02 0.00 0.00 33.50 32.46 3ghw n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ghw h GLU 62 N 3.61 0.33 0.00 -0.52 4.22 -1.93 0.17 114.58 120.46 3ghw h GLU 62 Ca -0.44 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 58.98 3ghw h GLU 62 Cb 1.32 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3ghw h GLU 62 CO 0.72 0.22 -0.01 1.57 -2.18 0.00 0.00 179.01 179.32 3ghw h LYS 63 N 0.34 0.00 -0.47 1.92 2.10 -2.01 -1.96 116.57 116.48 3ghw h LYS 63 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 3ghw h LYS 63 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 3ghw h LYS 63 CO -0.06 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.49 3ghw n ASN 64 N -3.23 3.43 -4.68 7.07 3.02 0.60 -4.96 115.26 116.51 3ghw n ASN 64 Ca -0.02 -2.10 -0.34 0.00 -0.03 0.00 0.00 54.58 52.09 3ghw n ASN 64 Cb 0.13 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 38.86 3ghw n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3ghw s ARG 65 N -1.19 2.87 0.77 3.52 0.52 -0.74 -3.09 118.95 121.61 3ghw s ARG 65 Ca 0.34 -0.52 -0.13 0.00 -0.52 0.00 0.00 55.73 54.90 3ghw s ARG 65 Cb 0.19 -2.72 0.06 0.00 0.52 0.00 0.00 34.95 33.00 3ghw s ARG 65 CO 0.21 0.66 1.14 -1.25 0.02 0.00 0.00 175.30 176.07 3ghw s PRO 66 N -1.26 2.08 -0.07 3.54 0.04 -1.25 -4.98 135.00 133.09 3ghw s PRO 66 Ca 0.17 1.45 -0.32 0.00 0.04 0.00 0.00 61.00 62.35 3ghw s PRO 66 Cb -0.11 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 3ghw s PRO 66 CO 0.07 -1.82 1.99 1.28 0.04 0.00 0.00 177.00 178.56 3ghw n LEU 67 N -3.22 3.64 -4.77 -3.56 4.77 -1.18 -4.88 117.00 107.81 3ghw n LEU 67 Ca 0.11 0.79 -0.38 0.00 -0.03 0.00 0.00 56.01 56.50 3ghw n LEU 67 Cb 0.52 -1.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.15 3ghw n LEU 67 CO 0.50 -0.08 0.86 -1.59 -1.33 0.00 0.00 177.39 175.74 3ghw s LYS 68 N 4.73 3.75 0.00 3.23 -2.85 -1.26 -2.89 119.74 124.45 3ghw s LYS 68 Ca 0.94 1.87 0.00 0.00 -1.00 0.00 0.00 55.97 57.78 3ghw s LYS 68 Cb -0.54 -2.46 0.00 0.00 -2.06 0.00 0.00 37.83 32.77 3ghw s LYS 68 CO 0.45 -0.59 0.00 0.41 0.10 0.00 0.00 175.35 175.72 3ghw n GLY 69 N 0.53 0.89 3.25 0.59 0.00 -1.26 -4.96 105.19 104.23 3ghw n GLY 69 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3ghw n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ghw s ARG 70 N -0.04 1.05 -0.13 1.61 0.52 -1.14 -4.49 118.95 116.33 3ghw s ARG 70 Ca 0.00 -1.17 -0.24 0.00 -0.52 0.00 0.00 55.73 53.79 3ghw s ARG 70 Cb 0.00 -1.12 -0.02 0.00 0.52 0.00 0.00 34.95 34.33 3ghw s ARG 70 CO 0.00 0.24 0.78 0.42 0.02 0.00 0.00 175.30 176.76 3ghw s ILE 71 N -1.58 4.95 -0.26 1.52 1.01 -0.19 -4.77 121.20 121.88 3ghw s ILE 71 Ca 0.06 1.55 -0.09 0.00 0.00 0.00 0.00 60.65 62.18 3ghw s ILE 71 Cb -0.08 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 3ghw s ILE 71 CO 0.04 0.12 0.12 0.20 0.00 0.00 0.00 174.94 175.41 3ghw s ASN 72 N 1.04 5.47 -0.10 3.58 0.02 -1.26 -0.55 114.94 123.13 3ghw s ASN 72 Ca 0.38 -0.16 0.04 0.00 -1.02 0.00 0.00 52.86 52.10 3ghw s ASN 72 Cb -0.17 -2.00 -0.00 0.00 0.02 0.00 0.00 41.25 39.10 3ghw s ASN 72 CO 0.15 -0.05 -0.23 -0.22 0.02 0.00 0.00 177.10 176.77 3ghw s LEU 73 N 1.67 2.16 -0.12 0.60 0.20 -0.22 -1.32 118.68 121.65 3ghw s LEU 73 Ca 0.06 -0.53 -0.02 0.00 0.69 0.00 0.00 54.13 54.33 3ghw s LEU 73 Cb -0.16 -1.43 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 3ghw s LEU 73 CO 0.06 0.16 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.55 3ghw s VAL 74 N 0.34 3.90 -0.18 1.68 1.01 -0.34 -1.64 120.40 125.17 3ghw s VAL 74 Ca -0.18 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 3ghw s VAL 74 Cb -0.18 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3ghw s VAL 74 CO 0.09 0.54 0.34 -0.76 0.00 0.00 0.00 175.10 175.31 3ghw s LEU 75 N -0.15 4.20 -0.28 3.92 1.43 0.40 -1.44 118.68 126.77 3ghw s LEU 75 Ca 0.03 0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 53.39 3ghw s LEU 75 Cb -0.13 -2.44 0.09 0.00 0.03 0.00 0.00 46.19 43.74 3ghw s LEU 75 CO 0.02 0.02 0.85 -0.55 0.23 0.00 0.00 176.35 176.92 3ghw s SER 76 N 0.74 -0.63 0.00 2.29 0.15 -0.59 -2.71 113.70 112.96 3ghw s SER 76 Ca 0.18 1.21 0.22 0.00 0.70 0.00 0.00 55.95 58.26 3ghw s SER 76 Cb -0.14 1.23 -0.08 0.00 -1.71 0.00 0.00 66.02 65.33 3ghw s SER 76 CO 0.06 -0.21 0.98 0.54 1.20 0.00 0.00 173.24 175.81 3ghw n ARG 77 N 2.53 0.06 -0.04 5.44 1.74 -1.26 -4.19 116.66 120.95 3ghw n ARG 77 Ca -0.13 -0.01 -0.19 0.00 -0.77 0.00 0.00 57.85 56.74 3ghw n ARG 77 Cb 0.55 -1.51 -0.14 0.00 -1.02 0.00 0.00 32.46 30.35 3ghw n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ghw n GLU 78 N -1.58 0.72 -1.91 5.56 1.02 -1.26 -4.94 120.64 118.24 3ghw n GLU 78 Ca 0.04 0.23 -0.37 0.00 -0.02 0.00 0.00 57.16 57.04 3ghw n GLU 78 Cb 0.35 -1.66 0.04 0.00 -0.02 0.00 0.00 31.44 30.16 3ghw n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ghw s LEU 79 N -6.78 3.66 0.06 -4.62 1.43 -1.26 -4.96 118.68 106.21 3ghw s LEU 79 Ca -0.24 2.50 0.22 0.00 -1.03 0.00 0.00 54.13 55.58 3ghw s LEU 79 Cb 0.07 -4.57 -0.18 0.00 0.03 0.00 0.00 46.19 41.54 3ghw s LEU 79 CO 0.73 -1.71 0.74 0.29 0.23 0.00 0.00 176.35 176.62 3ghw n LYS 80 N -1.62 0.61 -3.76 1.70 5.02 -1.26 -5.00 118.16 113.85 3ghw n LYS 80 Ca 0.14 -0.06 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 3ghw n LYS 80 Cb 0.49 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 3ghw n LYS 80 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3ghw s GLU 81 N -3.43 1.48 0.51 1.97 -1.05 -1.26 -5.14 118.70 111.77 3ghw s GLU 81 Ca -0.04 -0.89 -0.23 0.00 -0.15 0.00 0.00 54.97 53.66 3ghw s GLU 81 Cb 0.12 0.54 -0.07 0.00 -0.44 0.00 0.00 34.13 34.29 3ghw s GLU 81 CO 0.86 -0.64 1.30 -2.30 0.95 0.00 0.00 175.26 175.43 3ghw n PRO 82 N -0.38 1.75 -1.03 -4.83 -0.02 -1.26 -4.94 135.00 124.29 3ghw n PRO 82 Ca -0.08 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 3ghw n PRO 82 Cb 0.62 -2.49 0.14 0.00 -0.02 0.00 0.00 33.50 31.74 3ghw n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ghw n PRO 83 N -0.62 0.07 -1.57 0.52 -0.02 -1.26 -4.82 135.00 127.29 3ghw n PRO 83 Ca 0.09 0.10 -0.52 0.00 -2.02 0.00 0.00 63.50 61.15 3ghw n PRO 83 Cb 0.43 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 3ghw n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3ghw n GLN 84 N -3.44 1.01 0.00 -0.52 7.27 -1.26 -1.04 117.38 119.40 3ghw n GLN 84 Ca 0.13 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.57 3ghw n GLN 84 Cb 0.51 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 31.21 3ghw n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ghw n GLY 85 N 2.27 3.07 3.89 1.69 0.00 -1.26 -4.92 105.19 109.94 3ghw n GLY 85 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3ghw n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghw s ALA 86 N -1.59 3.19 -0.22 4.61 0.00 -0.21 -3.91 121.76 123.64 3ghw s ALA 86 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 51.63 3ghw s ALA 86 Cb 0.00 -2.82 -0.18 0.00 0.00 0.00 0.00 23.12 20.12 3ghw s ALA 86 CO 0.00 -0.71 -0.11 0.72 0.00 0.00 0.00 175.76 175.66 3ghw n HIS 87 N -2.62 0.00 -4.08 0.00 -0.00 -0.44 -4.80 115.22 103.27 3ghw n HIS 87 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.68 3ghw n HIS 87 Cb 0.56 -0.91 -0.10 0.00 -0.00 0.00 0.00 29.99 29.54 3ghw n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3ghw s PHE 88 N -2.46 0.54 -0.05 4.41 0.08 -0.94 -4.95 117.98 114.61 3ghw s PHE 88 Ca -0.24 -0.93 0.01 0.00 0.12 0.00 0.00 56.93 55.90 3ghw s PHE 88 Cb 0.07 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.16 3ghw s PHE 88 CO 0.62 -0.30 -0.06 -1.17 -0.10 0.00 0.00 175.22 174.21 3ghw s LEU 89 N -2.64 1.39 0.15 -0.37 2.96 -1.26 -1.20 118.68 117.71 3ghw s LEU 89 Ca 0.03 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 3ghw s LEU 89 Cb 0.04 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 3ghw s LEU 89 CO -0.07 -0.04 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.34 3ghw s SER 90 N 0.90 2.16 0.00 3.68 0.01 -0.52 -4.96 113.70 114.97 3ghw s SER 90 Ca -0.11 -0.88 0.23 0.00 1.31 0.00 0.00 55.95 56.50 3ghw s SER 90 Cb -0.15 -0.08 0.16 0.00 0.21 0.00 0.00 66.02 66.16 3ghw s SER 90 CO 0.01 -0.16 1.18 0.54 0.41 0.00 0.00 173.24 175.21 3ghw n ARG 91 N 0.24 0.56 -3.47 12.44 1.74 -1.26 -1.54 116.66 125.36 3ghw n ARG 91 Ca -0.13 -0.43 -0.11 0.00 -0.77 0.00 0.00 57.85 56.41 3ghw n ARG 91 Cb 0.58 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 3ghw n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ghw s SER 92 N -2.73 -0.53 0.19 0.55 1.04 -1.26 -4.70 113.70 106.26 3ghw s SER 92 Ca 0.15 -0.08 -0.10 0.00 0.48 0.00 0.00 55.95 56.41 3ghw s SER 92 Cb 0.18 0.61 0.12 0.00 0.10 0.00 0.00 66.02 67.03 3ghw s SER 92 CO 0.68 -1.01 1.75 0.25 0.98 0.00 0.00 173.24 175.89 3ghw h LEU 93 N 2.01 0.98 -0.93 2.42 5.85 -2.00 -1.44 115.31 122.21 3ghw h LEU 93 Ca -0.32 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.24 3ghw h LEU 93 Cb 1.30 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 3ghw h LEU 93 CO 0.37 0.89 0.61 0.44 -0.34 0.00 0.00 178.44 180.40 3ghw h ASP 94 N 1.01 1.04 -0.45 1.25 3.45 -1.99 -0.85 116.42 119.89 3ghw h ASP 94 Ca 0.23 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.65 3ghw h ASP 94 Cb 0.22 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 3ghw h ASP 94 CO -0.02 0.74 0.18 0.44 -1.57 0.00 0.00 179.24 179.02 3ghw h ASP 95 N 1.23 0.61 -0.49 6.45 5.19 -1.89 -0.71 116.42 126.82 3ghw h ASP 95 Ca 0.35 -0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.60 3ghw h ASP 95 Cb -0.10 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.23 3ghw h ASP 95 CO -0.09 0.61 0.32 0.00 -3.12 0.00 0.00 179.24 176.96 3ghw h ALA 96 N 1.03 0.62 -0.12 3.45 0.00 -0.55 -1.24 119.26 122.44 3ghw h ALA 96 Ca 0.15 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3ghw h ALA 96 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ghw h ALA 96 CO -0.01 0.06 -0.50 -0.07 0.00 0.00 0.00 179.25 178.72 3ghw h LEU 97 N 0.65 0.36 -1.17 0.00 3.38 -0.91 -2.63 115.31 114.99 3ghw h LEU 97 Ca 0.18 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3ghw h LEU 97 Cb -0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ghw h LEU 97 CO -0.05 0.80 -0.34 0.11 0.09 0.00 0.00 178.44 179.06 3ghw h LYS 98 N 0.26 0.13 -0.36 1.13 1.57 -0.95 -2.89 116.57 115.46 3ghw h LYS 98 Ca 0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3ghw h LYS 98 Cb 0.97 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3ghw h LYS 98 CO 0.08 0.46 0.15 1.25 -0.57 0.00 0.00 179.45 180.82 3ghw h LEU 99 N 0.12 0.45 -2.39 2.94 6.46 -0.85 -0.01 115.31 122.03 3ghw h LEU 99 Ca 0.01 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 3ghw h LEU 99 Cb 0.66 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 3ghw h LEU 99 CO 0.05 0.41 -0.01 0.71 -0.62 0.00 0.00 178.44 178.97 3ghw h THR 100 N 0.50 0.07 0.00 1.05 1.35 -1.44 -0.85 112.91 113.59 3ghw h THR 100 Ca 0.13 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3ghw h THR 100 Cb 0.09 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3ghw h THR 100 CO -0.01 0.01 -0.39 -0.62 -0.25 0.00 0.00 175.52 174.26 3ghw n GLU 101 N -3.16 0.21 -1.40 4.72 1.02 -0.02 -2.27 120.64 119.74 3ghw n GLU 101 Ca -0.02 0.09 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 3ghw n GLU 101 Cb 0.16 -1.66 0.08 0.00 -0.02 0.00 0.00 31.44 30.00 3ghw n GLU 101 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3ghw s GLN 102 N -3.11 2.39 0.43 3.49 -1.52 -0.33 -4.55 119.66 116.47 3ghw s GLN 102 Ca 0.09 1.00 0.10 0.00 -1.95 0.00 0.00 55.36 54.60 3ghw s GLN 102 Cb 0.14 -1.92 0.96 0.00 -0.22 0.00 0.00 33.01 31.97 3ghw s GLN 102 CO 0.67 -1.50 2.05 -1.35 -0.25 0.00 0.00 175.29 174.91 3ghw h PRO 103 N -1.01 0.43 0.00 2.91 0.11 -1.93 0.80 132.00 133.31 3ghw h PRO 103 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ghw h PRO 103 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ghw h PRO 103 CO 0.54 0.28 0.00 1.05 -0.21 0.00 0.00 178.00 179.67 3ghw h GLU 104 N 0.44 0.00 0.00 1.05 4.11 -1.92 -3.35 114.58 114.91 3ghw h GLU 104 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 3ghw h GLU 104 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ghw h GLU 104 CO -0.04 0.00 -0.50 1.28 0.07 0.00 0.00 179.01 179.82 3ghw n LEU 105 N -2.95 0.00 -0.35 3.06 4.77 -0.65 -4.83 117.00 116.05 3ghw n LEU 105 Ca -0.02 0.00 0.25 0.00 -0.03 0.00 0.00 56.01 56.21 3ghw n LEU 105 Cb 0.14 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 41.72 3ghw n LEU 105 CO 0.21 0.00 1.14 0.00 -1.33 0.00 0.00 177.39 177.41 3ghw h ALA 106 N 0.00 2.05 -0.45 -1.18 0.00 -0.43 -0.61 119.26 118.63 3ghw h ALA 106 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ghw h ALA 106 Cb 0.12 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ghw h ALA 106 CO 0.00 -0.63 0.00 0.09 0.00 0.00 0.00 179.25 178.71 3ghw n ASN 107 N -4.96 3.30 -0.06 0.00 3.02 -1.26 -3.68 115.26 111.62 3ghw n ASN 107 Ca 0.31 -1.95 -0.02 0.00 -0.03 0.00 0.00 54.58 52.90 3ghw n ASN 107 Cb 1.00 -0.30 -0.15 0.00 -0.61 0.00 0.00 39.78 39.71 3ghw n ASN 107 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ghw n LYS 108 N 1.11 0.78 -3.75 3.52 5.02 -0.27 -4.83 118.16 119.74 3ghw n LYS 108 Ca 0.17 -0.08 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 3ghw n LYS 108 Cb 0.52 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.95 3ghw n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ghw s VAL 109 N -2.84 5.24 0.00 -0.18 1.01 -1.01 -1.38 120.40 121.23 3ghw s VAL 109 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3ghw s VAL 109 Cb 0.09 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3ghw s VAL 109 CO 0.81 0.40 0.00 -0.67 0.00 0.00 0.00 175.10 175.64 3ghw n ASP 110 N 3.90 0.00 -4.87 3.32 4.64 -0.14 -3.88 116.55 119.52 3ghw n ASP 110 Ca -0.16 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 52.94 3ghw n ASP 110 Cb 0.52 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.55 3ghw n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 3ghw s MET 111 N 0.26 3.85 -0.15 -0.67 -1.94 -1.26 0.30 119.30 119.69 3ghw s MET 111 Ca 0.00 0.46 -0.04 0.00 -1.71 0.00 0.00 55.69 54.39 3ghw s MET 111 Cb 0.00 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 3ghw s MET 111 CO 0.00 0.13 -0.01 0.08 -0.01 0.00 0.00 175.02 175.21 3ghw s VAL 112 N -2.09 4.15 -0.19 -6.03 1.01 0.31 -1.00 120.40 116.56 3ghw s VAL 112 Ca 0.51 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3ghw s VAL 112 Cb -0.10 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.48 3ghw s VAL 112 CO 0.24 0.50 -0.18 0.26 0.00 0.00 0.00 175.10 175.92 3ghw s TRP 113 N 0.19 2.86 -0.19 5.22 0.52 0.46 -1.23 118.94 126.76 3ghw s TRP 113 Ca -0.00 -1.73 -0.23 0.00 0.02 0.00 0.00 56.10 54.16 3ghw s TRP 113 Cb -0.13 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.24 3ghw s TRP 113 CO 0.02 -0.81 0.74 0.42 0.02 0.00 0.00 176.95 177.34 3ghw s ILE 114 N 1.27 4.94 -0.17 2.03 1.01 0.85 -0.97 121.20 130.15 3ghw s ILE 114 Ca 0.03 1.42 0.17 0.00 0.00 0.00 0.00 60.65 62.27 3ghw s ILE 114 Cb -0.14 -4.05 0.38 0.00 0.01 0.00 0.00 42.46 38.67 3ghw s ILE 114 CO -0.12 0.05 1.27 1.33 0.00 0.00 0.00 174.94 177.47 3ghw n VAL 115 N 4.78 2.00 0.00 2.92 0.24 -0.37 -1.82 118.33 126.08 3ghw n VAL 115 Ca 0.02 -2.02 0.00 0.00 -2.04 0.00 0.00 64.34 60.30 3ghw n VAL 115 Cb 0.49 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 3ghw n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ghw n GLY 116 N -0.95 0.59 0.00 7.63 0.00 -1.26 -4.93 105.19 106.27 3ghw n GLY 116 Ca 0.18 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3ghw n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ghw n GLY 117 N 0.51 1.63 0.31 -0.02 0.00 -1.26 -0.59 105.19 105.76 3ghw n GLY 117 Ca 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 3ghw n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ghw h SER 118 N 0.00 0.87 -0.62 1.61 0.02 -1.97 -1.39 113.55 112.07 3ghw h SER 118 Ca 0.00 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3ghw h SER 118 Cb 0.00 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3ghw h SER 118 CO 0.00 0.62 0.07 0.28 -1.14 0.00 0.00 176.83 176.66 3ghw h SER 119 N 1.03 1.00 0.42 3.07 0.02 -1.96 -0.74 113.55 116.40 3ghw h SER 119 Ca 0.31 -0.27 -0.21 0.00 -0.84 0.00 0.00 61.79 60.78 3ghw h SER 119 Cb -0.04 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.23 3ghw h SER 119 CO -0.09 1.03 -0.89 1.62 -1.14 0.00 0.00 176.83 177.35 3ghw h VAL 120 N 0.95 1.43 -0.45 2.27 3.04 -1.79 -1.85 116.25 119.85 3ghw h VAL 120 Ca 0.18 -2.47 0.04 0.00 -1.01 0.00 0.00 66.70 63.44 3ghw h VAL 120 Cb 0.46 2.40 -0.04 0.00 -2.01 0.00 0.00 31.29 32.10 3ghw h VAL 120 CO 0.02 0.73 0.20 1.88 -1.01 0.00 0.00 177.57 179.39 3ghw h TYR 121 N 0.19 0.37 -0.65 3.17 0.99 -1.08 0.31 116.97 120.27 3ghw h TYR 121 Ca -0.06 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.64 3ghw h TYR 121 Cb 1.52 -0.10 -0.03 0.00 1.00 0.00 0.00 36.73 39.12 3ghw h TYR 121 CO 0.05 0.17 0.20 -0.22 -0.00 0.00 0.00 178.16 178.36 3ghw h LYS 122 N 0.41 1.01 -0.29 4.88 3.64 -0.93 0.08 116.57 125.36 3ghw h LYS 122 Ca 0.20 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 3ghw h LYS 122 Cb 0.14 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3ghw h LYS 122 CO -0.16 0.89 -0.26 1.49 -2.27 0.00 0.00 179.45 179.13 3ghw h GLU 123 N 0.94 0.69 -0.55 1.90 4.81 -1.18 -2.91 114.58 118.27 3ghw h GLU 123 Ca 0.21 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3ghw h GLU 123 Cb 0.30 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3ghw h GLU 123 CO -0.01 0.96 0.36 0.00 -0.73 0.00 0.00 179.01 179.59 3ghw h ALA 124 N 0.71 0.70 0.00 2.92 0.00 -0.72 -2.13 119.26 120.74 3ghw h ALA 124 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ghw h ALA 124 Cb 0.82 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ghw h ALA 124 CO 0.07 0.12 -0.03 0.52 0.00 0.00 0.00 179.25 179.92 3ghw h MET 125 N 0.72 0.00 -0.59 0.00 2.86 -0.81 0.18 114.93 117.30 3ghw h MET 125 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3ghw h MET 125 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3ghw h MET 125 CO -0.06 0.03 0.00 -1.71 1.06 0.00 0.00 176.91 176.24 3ghw n ASN 126 N -3.77 5.16 -4.76 1.22 5.15 -0.83 -4.98 115.26 112.45 3ghw n ASN 126 Ca -0.03 -2.71 -0.39 0.00 -0.60 0.00 0.00 54.58 50.86 3ghw n ASN 126 Cb 0.12 -0.62 -0.06 0.00 -0.53 0.00 0.00 39.78 38.69 3ghw n ASN 126 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3ghw s HIS 127 N -2.33 3.75 0.70 1.20 2.46 0.63 -4.97 115.29 116.73 3ghw s HIS 127 Ca 0.52 1.81 -0.15 0.00 0.47 0.00 0.00 55.06 57.71 3ghw s HIS 127 Cb 0.37 -3.05 0.02 0.00 -0.13 0.00 0.00 32.58 29.80 3ghw s HIS 127 CO 0.20 0.06 1.19 -1.25 -2.47 0.00 0.00 174.74 172.47 3ghw s PRO 128 N -1.61 2.34 0.14 2.88 0.04 -1.26 -4.81 135.00 132.72 3ghw s PRO 128 Ca 0.46 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.19 3ghw s PRO 128 Cb -0.25 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3ghw s PRO 128 CO 0.31 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 176.10 3ghw n GLY 129 N 0.23 -1.86 3.68 0.56 0.00 -1.26 -4.90 105.19 101.65 3ghw n GLY 129 Ca 0.13 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 3ghw n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ghw s HIS 130 N 0.00 3.46 -0.09 1.61 5.65 -1.26 -3.10 115.29 121.55 3ghw s HIS 130 Ca 0.00 1.14 -0.11 0.00 0.25 0.00 0.00 55.06 56.35 3ghw s HIS 130 Cb 0.00 -2.87 0.03 0.00 -1.18 0.00 0.00 32.58 28.55 3ghw s HIS 130 CO 0.00 -0.11 0.29 -1.17 -0.65 0.00 0.00 174.74 173.10 3ghw s LEU 131 N 1.63 0.90 0.09 8.88 0.20 -0.73 -4.50 118.68 125.16 3ghw s LEU 131 Ca 0.35 0.47 0.08 0.00 0.69 0.00 0.00 54.13 55.72 3ghw s LEU 131 Cb -0.17 1.04 -0.04 0.00 -0.43 0.00 0.00 46.19 46.59 3ghw s LEU 131 CO 0.13 -0.17 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.33 3ghw s LYS 132 N -0.16 1.96 -0.17 1.98 1.02 -1.02 -1.13 119.74 122.22 3ghw s LYS 132 Ca -0.03 -1.08 -0.00 0.00 0.02 0.00 0.00 55.97 54.88 3ghw s LYS 132 Cb -0.03 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 3ghw s LYS 132 CO 0.01 0.50 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.28 3ghw s LEU 133 N -1.99 2.46 -0.47 3.17 1.43 0.02 -0.69 118.68 122.62 3ghw s LEU 133 Ca 0.18 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 3ghw s LEU 133 Cb -0.11 -1.57 0.09 0.00 0.03 0.00 0.00 46.19 44.63 3ghw s LEU 133 CO 0.10 0.06 0.37 -0.36 0.23 0.00 0.00 176.35 176.75 3ghw s PHE 134 N 0.96 3.29 -0.16 0.29 0.40 0.21 -0.53 117.98 122.44 3ghw s PHE 134 Ca -0.03 -1.22 0.00 0.00 -0.60 0.00 0.00 56.93 55.08 3ghw s PHE 134 Cb -0.15 -3.23 -0.00 0.00 0.51 0.00 0.00 43.02 40.15 3ghw s PHE 134 CO -0.02 -0.86 -0.15 0.08 0.70 0.00 0.00 175.22 174.96 3ghw s VAL 135 N 1.55 2.66 -0.29 -0.44 1.01 -0.13 -1.42 120.40 123.34 3ghw s VAL 135 Ca 0.04 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 3ghw s VAL 135 Cb -0.25 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3ghw s VAL 135 CO 0.04 0.51 0.44 -0.89 0.00 0.00 0.00 175.10 175.21 3ghw s THR 136 N 0.83 5.11 -0.57 3.92 2.01 -0.11 -0.70 115.64 126.13 3ghw s THR 136 Ca -0.05 0.54 -0.22 0.00 0.31 0.00 0.00 61.69 62.27 3ghw s THR 136 Cb -0.15 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.61 3ghw s THR 136 CO -0.00 0.03 0.87 -0.13 -0.69 0.00 0.00 174.62 174.69 3ghw s ARG 137 N 2.20 3.22 -0.38 4.92 1.81 0.32 -0.80 118.95 130.24 3ghw s ARG 137 Ca 0.17 -0.59 -0.27 0.00 -1.72 0.00 0.00 55.73 53.32 3ghw s ARG 137 Cb -0.16 -4.11 0.02 0.00 -0.45 0.00 0.00 34.95 30.25 3ghw s ARG 137 CO 0.11 -1.51 1.01 0.42 -0.68 0.00 0.00 175.30 174.65 3ghw s ILE 138 N 3.63 4.49 -0.40 1.52 -1.09 0.26 -1.34 121.20 128.27 3ghw s ILE 138 Ca 0.24 1.36 -0.03 0.00 -2.23 0.00 0.00 60.65 59.99 3ghw s ILE 138 Cb -0.16 -4.41 0.08 0.00 -1.58 0.00 0.00 42.46 36.39 3ghw s ILE 138 CO 0.15 -0.62 2.66 0.23 -1.23 0.00 0.00 174.94 176.13 3ghw n MET 139 N 7.02 2.25 -3.87 2.79 2.81 -0.08 -2.40 117.12 125.64 3ghw n MET 139 Ca 0.10 -2.10 -0.09 0.00 -1.81 0.00 0.00 57.70 53.80 3ghw n MET 139 Cb 0.48 -2.02 -0.08 0.00 -0.71 0.00 0.00 33.22 30.89 3ghw n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3ghw s GLN 140 N -1.58 0.78 0.19 0.03 -0.21 -1.26 -4.85 119.66 112.76 3ghw s GLN 140 Ca 0.53 -0.88 -0.30 0.00 0.02 0.00 0.00 55.36 54.74 3ghw s GLN 140 Cb 0.35 0.32 -0.08 0.00 1.00 0.00 0.00 33.01 34.60 3ghw s GLN 140 CO -0.16 -0.23 0.95 -0.51 -2.12 0.00 0.00 175.29 173.22 3ghw s ASP 141 N -2.62 7.58 -0.03 5.90 1.01 -1.26 -1.68 116.67 125.57 3ghw s ASP 141 Ca 0.02 1.90 0.01 0.00 0.71 0.00 0.00 52.55 55.18 3ghw s ASP 141 Cb 0.03 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.38 3ghw s ASP 141 CO -0.09 0.06 -0.03 -0.36 0.21 0.00 0.00 175.17 174.97 3ghw s PHE 142 N -0.71 0.50 -0.05 4.23 0.08 -1.26 -4.97 117.98 115.79 3ghw s PHE 142 Ca 0.43 -0.09 -0.38 0.00 0.12 0.00 0.00 56.93 57.01 3ghw s PHE 142 Cb -0.25 -0.47 -0.17 0.00 -0.57 0.00 0.00 43.02 41.56 3ghw s PHE 142 CO 0.31 -0.12 1.45 -1.91 -0.10 0.00 0.00 175.22 174.86 3ghw n GLU 143 N 3.80 1.01 -3.98 0.44 2.13 -1.26 -4.81 120.64 117.97 3ghw n GLU 143 Ca -0.23 0.37 -0.08 0.00 0.66 0.00 0.00 57.16 57.87 3ghw n GLU 143 Cb 0.52 -2.01 -0.09 0.00 0.27 0.00 0.00 31.44 30.14 3ghw n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3ghw s SER 144 N 1.48 0.30 0.00 4.31 0.01 -1.26 -4.76 113.70 113.78 3ghw s SER 144 Ca 0.90 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 57.39 3ghw s SER 144 Cb -1.04 0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.44 3ghw s SER 144 CO 0.55 -0.60 0.85 -0.90 0.41 0.00 0.00 173.24 173.54 3ghw n ASP 145 N 0.27 1.48 -3.77 2.44 5.68 0.08 -4.97 116.55 117.76 3ghw n ASP 145 Ca -0.16 -1.71 -0.13 0.00 -0.50 0.00 0.00 54.79 52.29 3ghw n ASP 145 Cb 0.61 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.45 3ghw n ASP 145 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3ghw s THR 146 N -0.71 -0.04 0.08 2.12 -4.23 -1.00 -4.97 115.64 106.89 3ghw s THR 146 Ca 0.00 0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.69 3ghw s THR 146 Cb 0.00 -0.23 -0.03 0.00 1.34 0.00 0.00 72.50 73.58 3ghw s THR 146 CO 0.00 0.05 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.65 3ghw s PHE 147 N 0.87 1.17 0.19 3.99 0.40 -1.26 -0.86 117.98 122.48 3ghw s PHE 147 Ca -0.07 -0.51 -0.30 0.00 -0.60 0.00 0.00 56.93 55.45 3ghw s PHE 147 Cb -0.09 -0.65 -0.08 0.00 0.51 0.00 0.00 43.02 42.72 3ghw s PHE 147 CO -0.04 0.05 0.97 0.12 0.70 0.00 0.00 175.22 177.01 3ghw s PHE 148 N -1.63 3.88 0.97 0.36 5.36 0.28 -4.63 117.98 122.56 3ghw s PHE 148 Ca 0.00 1.84 -0.12 0.00 -0.96 0.00 0.00 56.93 57.70 3ghw s PHE 148 Cb -0.08 -3.05 0.17 0.00 -0.34 0.00 0.00 43.02 39.73 3ghw s PHE 148 CO 0.02 0.23 1.09 -2.14 -1.46 0.00 0.00 175.22 172.96 3ghw s PRO 149 N -0.73 0.61 0.13 10.12 0.02 -1.26 -4.93 135.00 138.96 3ghw s PRO 149 Ca 0.44 0.75 -0.31 0.00 0.02 0.00 0.00 61.00 61.90 3ghw s PRO 149 Cb -0.26 -1.74 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 3ghw s PRO 149 CO 0.32 -2.67 1.59 -2.00 -0.33 0.00 0.00 177.00 173.91 3ghw s GLU 150 N -4.86 4.21 -0.42 5.54 2.12 -1.26 -4.97 118.70 119.07 3ghw s GLU 150 Ca 0.65 2.34 -0.25 0.00 0.36 0.00 0.00 54.97 58.07 3ghw s GLU 150 Cb -0.19 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 30.91 3ghw s GLU 150 CO 0.58 -0.64 0.88 0.42 -0.54 0.00 0.00 175.26 175.96 3ghw s ILE 151 N 1.64 4.58 -0.68 -3.70 1.01 -1.26 -5.03 121.20 117.75 3ghw s ILE 151 Ca 0.71 0.84 -0.27 0.00 0.00 0.00 0.00 60.65 61.93 3ghw s ILE 151 Cb -0.42 -4.35 0.01 0.00 0.01 0.00 0.00 42.46 37.71 3ghw s ILE 151 CO 0.31 -0.66 1.50 -0.62 0.00 0.00 0.00 174.94 175.47 3ghw s ASP 152 N 2.07 5.83 0.00 3.58 3.68 -1.26 -4.88 116.67 125.68 3ghw s ASP 152 Ca 0.35 -0.12 0.20 0.00 2.13 0.00 0.00 52.55 55.10 3ghw s ASP 152 Cb -0.11 -2.55 0.94 0.00 -1.45 0.00 0.00 42.92 39.75 3ghw s ASP 152 CO 0.22 -2.04 1.62 0.18 0.13 0.00 0.00 175.17 175.29 3ghw n LEU 153 N 10.65 0.00 0.02 -1.34 4.77 -1.26 -0.91 117.00 128.92 3ghw n LEU 153 Ca 0.10 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.41 3ghw n LEU 153 Cb 0.50 -0.37 0.21 0.00 -2.33 0.00 0.00 43.42 41.43 3ghw n LEU 153 CO 0.71 -0.12 0.74 -0.08 -1.33 0.00 0.00 177.39 177.31 3ghw h GLU 154 N 0.00 0.48 0.00 3.23 4.57 -2.03 -3.33 114.58 117.49 3ghw h GLU 154 Ca 0.00 -0.18 -0.36 0.00 -1.18 0.00 0.00 59.36 57.64 3ghw h GLU 154 Cb 0.24 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.74 3ghw h GLU 154 CO 0.00 0.69 -2.38 0.36 -1.18 0.00 0.00 179.01 176.50 3ghw n LYS 155 N -4.13 0.66 -3.27 1.92 2.85 -0.88 -4.86 118.16 110.46 3ghw n LYS 155 Ca -0.00 0.11 -0.42 0.00 -1.05 0.00 0.00 58.31 56.95 3ghw n LYS 155 Cb 0.40 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.21 3ghw n LYS 155 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3ghw s TYR 156 N -2.49 3.16 -0.13 5.58 1.51 -0.09 -4.22 117.35 120.67 3ghw s TYR 156 Ca -0.29 -0.08 -0.22 0.00 -1.01 0.00 0.00 57.07 55.48 3ghw s TYR 156 Cb 0.08 -2.95 -0.03 0.00 -0.11 0.00 0.00 41.96 38.95 3ghw s TYR 156 CO 0.61 -0.63 0.64 0.15 -1.11 0.00 0.00 175.55 175.21 3ghw s LYS 157 N 2.32 4.33 -0.15 -0.62 -0.14 -0.39 -4.45 119.74 120.64 3ghw s LYS 157 Ca 0.16 0.71 -0.29 0.00 -1.36 0.00 0.00 55.97 55.19 3ghw s LYS 157 Cb -0.16 -3.50 -0.03 0.00 -1.68 0.00 0.00 37.83 32.46 3ghw s LYS 157 CO 0.14 -0.05 1.45 -1.17 -0.76 0.00 0.00 175.35 174.96 3ghw s LEU 158 N 1.25 4.15 0.17 3.17 2.96 -1.26 -1.14 118.68 127.97 3ghw s LEU 158 Ca 0.32 1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 55.74 3ghw s LEU 158 Cb -0.16 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 3ghw s LEU 158 CO 0.13 -0.93 1.00 -0.76 -1.32 0.00 0.00 176.35 174.48 3ghw s LEU 159 N 4.04 4.53 0.00 -0.68 1.43 0.32 -4.95 118.68 123.37 3ghw s LEU 159 Ca 0.63 1.94 0.26 0.00 -1.03 0.00 0.00 54.13 55.93 3ghw s LEU 159 Cb -0.25 -3.60 1.16 0.00 0.03 0.00 0.00 46.19 43.53 3ghw s LEU 159 CO 0.22 -0.06 1.84 -0.81 0.23 0.00 0.00 176.35 177.77 3ghw n PRO 160 N 2.31 0.12 -3.48 1.29 -0.04 -1.26 -4.71 135.00 129.22 3ghw n PRO 160 Ca 0.01 0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.38 3ghw n PRO 160 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 3ghw n PRO 160 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3ghw s GLU 161 N -2.87 1.17 -0.23 0.54 -1.05 -1.26 -5.15 118.70 109.86 3ghw s GLU 161 Ca 0.16 -0.16 -0.14 0.00 -0.15 0.00 0.00 54.97 54.68 3ghw s GLU 161 Cb 0.17 0.54 0.07 0.00 -0.44 0.00 0.00 34.13 34.47 3ghw s GLU 161 CO 0.45 -0.45 0.56 -0.47 0.95 0.00 0.00 175.26 176.30 3ghw s TYR 162 N -2.61 -0.81 0.20 4.83 5.04 -1.26 -5.05 117.35 117.69 3ghw s TYR 162 Ca -0.04 1.70 -0.31 0.00 -2.44 0.00 0.00 57.07 55.97 3ghw s TYR 162 Cb -0.01 0.42 -0.11 0.00 0.35 0.00 0.00 41.96 42.61 3ghw s TYR 162 CO -0.03 -0.42 1.62 -2.14 -1.34 0.00 0.00 175.55 173.24 3ghw s PRO 163 N 1.31 4.18 0.00 4.97 0.02 -1.26 -2.09 135.00 142.13 3ghw s PRO 163 Ca -0.08 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3ghw s PRO 163 Cb -0.06 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3ghw s PRO 163 CO -0.13 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 3ghw n GLY 164 N 3.55 0.77 3.19 0.52 0.00 -1.26 -5.02 105.19 106.94 3ghw n GLY 164 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3ghw n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghw s VAL 165 N -2.99 2.40 0.36 1.61 1.01 -0.89 -5.10 120.40 116.80 3ghw s VAL 165 Ca 0.00 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 3ghw s VAL 165 Cb 0.00 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.26 3ghw s VAL 165 CO 0.00 0.52 1.35 -0.76 0.00 0.00 0.00 175.10 176.20 3ghw s LEU 166 N 1.18 4.36 0.04 3.92 1.43 -1.26 -4.71 118.68 123.64 3ghw s LEU 166 Ca 0.02 2.77 0.22 0.00 -1.03 0.00 0.00 54.13 56.11 3ghw s LEU 166 Cb -0.14 -3.70 -0.18 0.00 0.03 0.00 0.00 46.19 42.19 3ghw s LEU 166 CO -0.07 -0.68 0.74 -1.20 0.23 0.00 0.00 176.35 175.37 3ghw n SER 167 N 0.58 0.38 -4.84 2.29 7.64 -1.26 -4.44 113.62 113.97 3ghw n SER 167 Ca 0.01 -0.02 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 3ghw n SER 167 Cb 0.42 1.34 0.08 0.00 -1.01 0.00 0.00 64.21 65.03 3ghw n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3ghw s ASP 168 N -4.53 4.71 0.07 6.43 3.84 -1.26 -4.90 116.67 121.02 3ghw s ASP 168 Ca -0.03 0.22 -0.30 0.00 -0.00 0.00 0.00 52.55 52.43 3ghw s ASP 168 Cb 0.13 -0.83 -0.05 0.00 -1.38 0.00 0.00 42.92 40.79 3ghw s ASP 168 CO 0.86 -1.63 1.08 -0.69 -0.00 0.00 0.00 175.17 174.79 3ghw s VAL 169 N -3.18 4.34 0.22 2.11 1.01 -1.26 -4.67 120.40 118.97 3ghw s VAL 169 Ca 0.62 1.76 0.05 0.00 0.00 0.00 0.00 61.98 64.40 3ghw s VAL 169 Cb -0.09 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3ghw s VAL 169 CO 0.44 0.18 0.32 -1.10 0.00 0.00 0.00 175.10 174.95 3ghw s GLN 170 N 0.66 3.38 -0.16 2.72 -1.52 0.23 -4.95 119.66 120.02 3ghw s GLN 170 Ca 0.53 -0.76 -0.08 0.00 -1.95 0.00 0.00 55.36 53.10 3ghw s GLN 170 Cb -0.26 -2.87 0.06 0.00 -0.22 0.00 0.00 33.01 29.72 3ghw s GLN 170 CO 0.30 0.45 0.38 -2.00 -0.25 0.00 0.00 175.29 174.17 3ghw s GLU 171 N -3.80 0.35 -0.01 2.91 2.12 -1.26 -1.13 118.70 117.89 3ghw s GLU 171 Ca 0.34 0.77 -0.01 0.00 0.36 0.00 0.00 54.97 56.43 3ghw s GLU 171 Cb -0.09 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.29 3ghw s GLU 171 CO 0.28 -0.17 0.02 -1.21 -0.54 0.00 0.00 175.26 173.64 3ghw s GLU 172 N 1.52 0.02 -1.64 4.30 2.02 -0.64 -4.86 118.70 119.42 3ghw s GLU 172 Ca -0.08 0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.93 3ghw s GLU 172 Cb -0.09 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.15 3ghw s GLU 172 CO -0.12 -0.00 0.00 1.63 0.02 0.00 0.00 175.26 176.79 3ghw n LYS 173 N 3.08 -1.79 -0.99 1.61 4.76 -1.26 -0.35 118.16 123.22 3ghw n LYS 173 Ca -0.12 0.93 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 3ghw n LYS 173 Cb 0.60 -5.56 0.00 0.00 -1.84 0.00 0.00 35.03 28.23 3ghw n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ghw n GLY 174 N -0.93 0.41 3.31 0.72 0.00 -1.26 -5.00 105.19 102.43 3ghw n GLY 174 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3ghw n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ghw s ILE 175 N -1.87 3.39 0.25 -0.61 1.01 0.52 -5.11 121.20 118.78 3ghw s ILE 175 Ca 0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 3ghw s ILE 175 Cb 0.00 -2.57 -0.08 0.00 0.01 0.00 0.00 42.46 39.82 3ghw s ILE 175 CO 0.00 0.38 0.72 -0.54 0.00 0.00 0.00 174.94 175.50 3ghw s LYS 176 N 1.47 4.17 0.17 2.79 1.02 -1.26 -1.62 119.74 126.48 3ghw s LYS 176 Ca 0.05 0.79 -0.17 0.00 0.02 0.00 0.00 55.97 56.66 3ghw s LYS 176 Cb -0.15 -2.76 0.03 0.00 -0.52 0.00 0.00 37.83 34.44 3ghw s LYS 176 CO -0.03 0.33 0.49 1.52 -0.92 0.00 0.00 175.35 176.74 3ghw s TYR 177 N -1.65 -0.17 0.04 3.18 -0.85 -0.28 -0.90 117.35 116.72 3ghw s TYR 177 Ca 0.46 -0.15 -0.05 0.00 -0.52 0.00 0.00 57.07 56.80 3ghw s TYR 177 Cb -0.15 0.36 -0.01 0.00 0.38 0.00 0.00 41.96 42.54 3ghw s TYR 177 CO 0.20 -0.84 0.09 -1.59 -1.52 0.00 0.00 175.55 171.89 3ghw s LYS 178 N -3.84 0.61 -0.13 -3.49 -2.85 -0.45 -0.60 119.74 108.99 3ghw s LYS 178 Ca 0.07 -0.80 -0.07 0.00 -1.00 0.00 0.00 55.97 54.17 3ghw s LYS 178 Cb -0.00 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 3ghw s LYS 178 CO -0.07 -0.15 0.12 -0.06 0.10 0.00 0.00 175.35 175.29 3ghw s PHE 179 N -2.79 3.51 0.06 1.78 2.99 -1.26 -0.52 117.98 121.75 3ghw s PHE 179 Ca -0.03 0.45 0.04 0.00 0.00 0.00 0.00 56.93 57.38 3ghw s PHE 179 Cb -0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 43.02 41.04 3ghw s PHE 179 CO -0.05 0.63 -0.11 -1.21 -0.00 0.00 0.00 175.22 174.48 3ghw s GLU 180 N -0.80 0.71 -0.09 0.44 2.02 0.12 -4.87 118.70 116.23 3ghw s GLU 180 Ca 0.13 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3ghw s GLU 180 Cb -0.12 -0.57 0.02 0.00 0.10 0.00 0.00 34.13 33.56 3ghw s GLU 180 CO 0.03 0.12 -0.11 0.08 0.02 0.00 0.00 175.26 175.40 3ghw s VAL 181 N -1.49 1.15 0.11 2.63 1.01 -1.26 -0.95 120.40 121.61 3ghw s VAL 181 Ca -0.04 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3ghw s VAL 181 Cb -0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3ghw s VAL 181 CO 0.01 0.37 -0.09 -0.31 0.00 0.00 0.00 175.10 175.08 3ghw s TYR 182 N 1.14 2.74 -0.02 5.22 1.51 0.31 -0.52 117.35 127.73 3ghw s TYR 182 Ca -0.05 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3ghw s TYR 182 Cb -0.14 -1.42 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 3ghw s TYR 182 CO -0.02 0.44 -0.02 -2.00 -1.11 0.00 0.00 175.55 172.83 3ghw s GLU 183 N -2.29 0.36 0.36 -0.62 2.12 -0.29 -0.79 118.70 117.55 3ghw s GLU 183 Ca 0.22 -0.05 0.09 0.00 0.36 0.00 0.00 54.97 55.59 3ghw s GLU 183 Cb -0.11 -0.42 -0.06 0.00 0.26 0.00 0.00 34.13 33.80 3ghw s GLU 183 CO 0.14 -0.02 -0.02 -1.59 -0.54 0.00 0.00 175.26 173.23 3ghw s LYS 184 N 0.44 1.95 -0.22 4.30 -2.85 -0.29 -1.26 119.74 121.81 3ghw s LYS 184 Ca -0.04 -1.92 -0.04 0.00 -1.00 0.00 0.00 55.97 52.96 3ghw s LYS 184 Cb -0.08 -1.77 0.12 0.00 -2.06 0.00 0.00 37.83 34.04 3ghw s LYS 184 CO -0.01 0.07 0.38 1.21 0.10 0.00 0.00 175.35 177.11 3ghw s ASN 185 N -3.68 0.14 0.00 0.03 3.84 -1.26 -1.78 114.94 112.23 3ghw s ASN 185 Ca 0.34 0.44 0.00 0.00 0.21 0.00 0.00 52.86 53.86 3ghw s ASN 185 Cb 0.04 1.14 0.00 0.00 -0.55 0.00 0.00 41.25 41.87 3ghw s ASN 185 CO 0.18 -0.28 0.00 -0.90 -2.79 0.00 0.00 177.10 173.31