#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g5w h ASP 2 N 0.00 1.06 -0.04 6.55 1.82 -2.01 -2.92 116.42 120.88 1g5w h ASP 2 Ca 0.00 -0.30 0.01 0.00 -0.39 0.00 0.00 57.03 56.35 1g5w h ASP 2 Cb 0.00 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 39.72 1g5w h ASP 2 CO 0.00 1.10 0.03 0.00 -1.61 0.00 0.00 179.24 178.77 1g5w h ALA 3 N 0.99 1.98 0.00 -0.78 0.00 -2.04 -2.66 119.26 116.75 1g5w h ALA 3 Ca 0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1g5w h ALA 3 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1g5w h ALA 3 CO 0.03 -0.06 -0.19 0.74 0.00 0.00 0.00 179.25 179.77 1g5w h PHE 4 N 0.00 0.00 -2.91 0.00 -1.00 -1.94 -3.46 116.94 107.64 1g5w h PHE 4 Ca 0.02 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.24 1g5w h PHE 4 Cb 0.09 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 1g5w h PHE 4 CO 0.00 0.19 0.90 -0.51 -1.61 0.00 0.00 178.31 177.28 1g5w s LEU 5 N -7.06 4.20 0.00 1.54 1.43 -1.00 -4.64 118.68 113.14 1g5w s LEU 5 Ca -0.01 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 1g5w s LEU 5 Cb 0.12 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1g5w s LEU 5 CO 0.62 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1g5w n GLY 6 N 3.62 1.93 3.77 -3.19 0.00 -0.90 -5.00 105.19 105.41 1g5w n GLY 6 Ca 0.14 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 1g5w n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g5w s THR 7 N -2.00 4.73 -0.15 2.61 2.01 -1.26 -2.11 115.64 119.47 1g5w s THR 7 Ca 0.00 1.45 -0.04 0.00 0.31 0.00 0.00 61.69 63.40 1g5w s THR 7 Cb 0.00 -4.02 0.06 0.00 0.01 0.00 0.00 72.50 68.55 1g5w s THR 7 CO 0.00 0.44 0.10 0.26 -0.69 0.00 0.00 174.62 174.73 1g5w s TRP 8 N -0.44 0.11 0.13 4.92 0.52 -0.63 -1.11 118.94 122.43 1g5w s TRP 8 Ca 0.34 -0.15 -0.12 0.00 0.02 0.00 0.00 56.10 56.19 1g5w s TRP 8 Cb -0.20 -0.61 -0.06 0.00 -1.15 0.00 0.00 33.47 31.44 1g5w s TRP 8 CO 0.21 -0.47 0.49 0.15 0.02 0.00 0.00 176.95 177.35 1g5w s LYS 9 N 2.17 3.87 0.02 4.98 1.02 -1.14 -1.02 119.74 129.63 1g5w s LYS 9 Ca 0.03 0.33 -0.30 0.00 0.02 0.00 0.00 55.97 56.05 1g5w s LYS 9 Cb -0.15 -2.93 -0.06 0.00 -0.52 0.00 0.00 37.83 34.16 1g5w s LYS 9 CO -0.08 0.49 1.52 -1.17 -0.92 0.00 0.00 175.35 175.19 1g5w s LEU 10 N -2.04 4.33 -0.24 3.17 2.96 -1.23 -3.07 118.68 122.57 1g5w s LEU 10 Ca 0.37 2.26 -0.10 0.00 -0.22 0.00 0.00 54.13 56.44 1g5w s LEU 10 Cb -0.14 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 42.83 1g5w s LEU 10 CO 0.19 -0.81 -0.12 0.52 -1.32 0.00 0.00 176.35 174.81 1g5w n VAL 11 N 4.79 1.55 -3.74 1.68 0.31 -0.58 -4.91 118.33 117.44 1g5w n VAL 11 Ca 0.15 -0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 63.93 1g5w n VAL 11 Cb 0.42 -1.76 -0.14 0.00 -0.91 0.00 0.00 33.84 31.45 1g5w n VAL 11 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1g5w s ASP 12 N -7.05 -0.09 -0.47 4.52 -1.08 -0.97 -5.01 116.67 106.53 1g5w s ASP 12 Ca -0.34 0.35 -0.11 0.00 -0.52 0.00 0.00 52.55 51.93 1g5w s ASP 12 Cb 0.11 0.24 0.10 0.00 -1.46 0.00 0.00 42.92 41.91 1g5w s ASP 12 CO 0.58 -0.16 0.35 -0.94 0.52 0.00 0.00 175.17 175.52 1g5w s SER 13 N 1.27 5.83 -0.38 -0.34 1.04 -1.26 -2.24 113.70 117.61 1g5w s SER 13 Ca -0.08 -1.68 -0.13 0.00 0.48 0.00 0.00 55.95 54.53 1g5w s SER 13 Cb -0.11 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 63.96 1g5w s SER 13 CO -0.07 -0.67 0.26 -0.54 0.98 0.00 0.00 173.24 173.21 1g5w s LYS 14 N 1.46 3.07 -0.97 4.02 1.02 -1.25 -4.47 119.74 122.62 1g5w s LYS 14 Ca 0.04 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1g5w s LYS 14 Cb -0.26 -3.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.18 1g5w s LYS 14 CO 0.02 -0.66 0.00 0.09 -0.92 0.00 0.00 175.35 173.88 1g5w n ASN 15 N 5.11 -4.02 -0.05 2.83 3.02 -1.26 -3.02 115.26 117.87 1g5w n ASN 15 Ca -0.12 0.20 -0.12 0.00 -0.03 0.00 0.00 54.58 54.52 1g5w n ASN 15 Cb 0.47 -2.45 -0.07 0.00 -0.61 0.00 0.00 39.78 37.13 1g5w n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1g5w h PHE 16 N 0.00 0.30 -0.96 3.10 3.57 -1.92 -2.75 116.94 118.28 1g5w h PHE 16 Ca -0.19 -0.06 0.22 0.00 3.53 0.00 0.00 57.97 61.46 1g5w h PHE 16 Cb 0.67 -0.07 -0.18 0.00 2.79 0.00 0.00 35.95 39.16 1g5w h PHE 16 CO 0.26 0.55 -0.13 0.38 -2.23 0.00 0.00 178.31 177.15 1g5w h ASP 17 N -0.03 -0.71 0.26 0.41 3.04 -1.94 -1.06 116.42 116.39 1g5w h ASP 17 Ca 0.04 0.28 -0.01 0.00 -3.24 0.00 0.00 57.03 54.10 1g5w h ASP 17 Cb 0.45 0.54 -0.00 0.00 -1.04 0.00 0.00 39.33 39.29 1g5w h ASP 17 CO 0.01 -0.33 -0.15 -0.78 -2.04 0.00 0.00 179.24 175.96 1g5w h ASP 18 N 0.01 -0.36 -0.37 4.15 3.58 -1.95 -2.49 116.42 118.99 1g5w h ASP 18 Ca 0.51 0.02 0.08 0.00 0.42 0.00 0.00 57.03 58.06 1g5w h ASP 18 Cb 0.91 0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.98 1g5w h ASP 18 CO -0.95 -0.24 -0.11 0.22 -2.88 0.00 0.00 179.24 175.28 1g5w h TYR 19 N -0.38 -0.25 0.16 0.28 3.20 -1.31 -2.71 116.97 115.95 1g5w h TYR 19 Ca -0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1g5w h TYR 19 Cb 0.31 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1g5w h TYR 19 CO -0.08 -0.18 -0.08 0.52 -1.64 0.00 0.00 178.16 176.71 1g5w h MET 20 N -0.02 -0.20 -0.70 1.82 2.86 -1.21 -2.75 114.93 114.72 1g5w h MET 20 Ca 0.18 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1g5w h MET 20 Cb 0.30 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1g5w h MET 20 CO -0.40 -0.03 0.44 -0.22 1.06 0.00 0.00 176.91 177.76 1g5w h LYS 21 N -0.34 0.94 -0.90 1.72 1.63 -1.52 -2.80 116.57 115.31 1g5w h LYS 21 Ca -0.02 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1g5w h LYS 21 Cb 0.26 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 1g5w h LYS 21 CO 0.04 0.64 0.48 1.03 -3.45 0.00 0.00 179.45 178.19 1g5w h SER 22 N 0.96 1.13 0.17 4.20 0.87 -1.47 -2.99 113.55 116.41 1g5w h SER 22 Ca 0.25 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1g5w h SER 22 Cb -0.07 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.60 1g5w h SER 22 CO -0.05 0.91 -0.04 -0.07 -0.53 0.00 0.00 176.83 177.05 1g5w h LEU 23 N 1.26 0.00 -0.34 2.23 3.38 -1.37 -3.48 115.31 116.98 1g5w h LEU 23 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1g5w h LEU 23 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1g5w h LEU 23 CO -0.05 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1g5w n GLY 24 N -0.99 0.74 2.71 0.83 0.00 -1.13 -5.13 105.19 102.21 1g5w n GLY 24 Ca -0.02 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 1g5w n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g5w s VAL 25 N -2.11 -0.26 1.00 1.61 1.01 -1.07 -5.00 120.40 115.58 1g5w s VAL 25 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1g5w s VAL 25 Cb 0.00 -0.65 0.19 0.00 0.00 0.00 0.00 36.38 35.92 1g5w s VAL 25 CO 0.00 -0.23 1.09 -0.83 0.00 0.00 0.00 175.10 175.13 1g5w s GLY 26 N 2.27 1.58 0.33 4.51 0.00 -1.26 -3.83 107.32 110.91 1g5w s GLY 26 Ca 0.05 -0.26 0.07 0.00 0.00 0.00 0.00 44.72 44.59 1g5w s GLY 26 CO -0.11 0.34 1.83 0.27 0.00 0.00 0.00 173.10 175.43 1g5w h PHE 27 N -1.92 0.96 -0.29 1.90 -0.00 -2.00 -1.88 116.94 113.71 1g5w h PHE 27 Ca -0.54 0.03 -0.05 0.00 -0.00 0.00 0.00 57.97 57.41 1g5w h PHE 27 Cb 1.32 -0.30 -0.01 0.00 -0.00 0.00 0.00 35.95 36.96 1g5w h PHE 27 CO 0.32 0.31 -0.01 0.00 -0.00 0.00 0.00 178.31 178.93 1g5w h ALA 28 N 1.60 0.40 -0.12 12.09 0.00 -2.00 -2.15 119.26 129.08 1g5w h ALA 28 Ca 0.51 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 1g5w h ALA 28 Cb 0.77 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1g5w h ALA 28 CO -0.27 0.15 -0.66 1.15 0.00 0.00 0.00 179.25 179.62 1g5w h THR 29 N 0.31 1.35 -0.32 0.00 2.02 -1.90 -2.78 112.91 111.59 1g5w h THR 29 Ca 0.08 -1.99 0.06 0.00 0.77 0.00 0.00 66.41 65.33 1g5w h THR 29 Cb 0.44 1.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.77 1g5w h THR 29 CO 0.02 0.61 -0.02 -0.09 0.37 0.00 0.00 175.52 176.40 1g5w h ARG 30 N 0.34 0.07 -0.10 6.66 2.43 -1.39 -2.28 114.38 120.11 1g5w h ARG 30 Ca -0.02 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.92 1g5w h ARG 30 Cb 1.22 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1g5w h ARG 30 CO 0.12 0.04 -0.86 1.96 -1.51 0.00 0.00 179.97 179.72 1g5w h GLN 31 N 0.07 0.73 -0.27 0.20 1.08 -1.47 -2.89 115.11 112.56 1g5w h GLN 31 Ca 0.16 -0.65 -0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1g5w h GLN 31 Cb 0.22 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1g5w h GLN 31 CO -0.28 1.25 0.15 0.28 -0.95 0.00 0.00 178.83 179.29 1g5w h VAL 32 N 0.47 1.11 -0.09 -0.54 2.07 -1.55 -2.37 116.25 115.36 1g5w h VAL 32 Ca -0.07 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 1g5w h VAL 32 Cb 1.49 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1g5w h VAL 32 CO 0.17 0.11 -0.40 0.00 0.02 0.00 0.00 177.57 177.48 1g5w h ALA 33 N 1.04 1.17 -0.30 1.67 0.00 -1.52 -1.56 119.26 119.76 1g5w h ALA 33 Ca 0.10 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1g5w h ALA 33 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1g5w h ALA 33 CO -0.02 0.56 -0.17 0.66 0.00 0.00 0.00 179.25 180.29 1g5w h SER 34 N 0.16 0.66 -0.82 0.00 4.64 -1.54 -3.31 113.55 113.34 1g5w h SER 34 Ca 0.02 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1g5w h SER 34 Cb 0.77 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1g5w h SER 34 CO 0.06 0.94 0.53 -0.03 -0.87 0.00 0.00 176.83 177.45 1g5w h MET 35 N 0.39 1.09 -6.75 4.77 -1.53 -1.44 -3.43 114.93 108.03 1g5w h MET 35 Ca 0.06 -0.08 -0.52 0.00 -3.44 0.00 0.00 59.70 55.72 1g5w h MET 35 Cb 0.70 -0.24 0.04 0.00 -0.55 0.00 0.00 31.60 31.55 1g5w h MET 35 CO 0.05 0.74 0.66 0.99 0.14 0.00 0.00 176.91 179.49 1g5w s THR 36 N -6.07 2.99 -0.58 -0.77 2.01 -0.59 -5.04 115.64 107.59 1g5w s THR 36 Ca -0.13 0.86 -0.09 0.00 0.31 0.00 0.00 61.69 62.64 1g5w s THR 36 Cb 0.16 -3.55 0.15 0.00 0.01 0.00 0.00 72.50 69.27 1g5w s THR 36 CO 0.79 0.15 0.45 -0.54 -0.69 0.00 0.00 174.62 174.79 1g5w s LYS 37 N -0.64 2.72 0.32 4.92 3.01 -1.26 -4.88 119.74 123.93 1g5w s LYS 37 Ca 0.55 -2.07 -0.20 0.00 -1.01 0.00 0.00 55.97 53.23 1g5w s LYS 37 Cb -0.38 -3.99 -0.09 0.00 -1.01 0.00 0.00 37.83 32.36 1g5w s LYS 37 CO 0.43 -1.21 0.83 -1.25 0.51 0.00 0.00 175.35 174.65 1g5w s PRO 38 N 0.81 4.26 -0.51 -1.68 0.04 -1.26 -4.55 135.00 132.10 1g5w s PRO 38 Ca 0.11 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 61.95 1g5w s PRO 38 Cb -0.22 -2.59 0.09 0.00 0.04 0.00 0.00 34.50 31.82 1g5w s PRO 38 CO -0.03 0.21 0.50 0.99 0.04 0.00 0.00 177.00 178.72 1g5w s THR 39 N -1.81 5.12 -0.39 1.26 2.01 -0.86 -3.47 115.64 117.49 1g5w s THR 39 Ca 0.52 -1.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 1g5w s THR 39 Cb -0.14 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.13 1g5w s THR 39 CO 0.19 -0.78 1.10 -0.89 -0.69 0.00 0.00 174.62 173.55 1g5w s THR 40 N 1.92 4.37 -0.31 -0.82 2.01 -0.19 -1.50 115.64 121.11 1g5w s THR 40 Ca 0.06 1.49 -0.01 0.00 0.31 0.00 0.00 61.69 63.54 1g5w s THR 40 Cb -0.25 -4.50 0.06 0.00 0.01 0.00 0.00 72.50 67.82 1g5w s THR 40 CO 0.06 -0.73 0.02 -0.63 -0.69 0.00 0.00 174.62 172.65 1g5w s ILE 41 N 4.03 2.87 -0.27 1.82 1.01 -0.40 -1.61 121.20 128.64 1g5w s ILE 41 Ca 0.46 -1.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.39 1g5w s ILE 41 Cb -0.10 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1g5w s ILE 41 CO 0.23 -0.22 0.29 -0.63 0.00 0.00 0.00 174.94 174.61 1g5w s ILE 42 N 1.19 5.24 -0.12 2.92 1.09 -0.90 -2.06 121.20 128.56 1g5w s ILE 42 Ca -0.02 0.39 -0.02 0.00 -1.10 0.00 0.00 60.65 59.89 1g5w s ILE 42 Cb -0.20 -3.62 0.04 0.00 -1.06 0.00 0.00 42.46 37.62 1g5w s ILE 42 CO -0.03 0.20 0.01 -0.70 -0.10 0.00 0.00 174.94 174.33 1g5w s GLU 43 N 1.89 0.66 -0.41 2.79 -6.30 -0.96 -2.11 118.70 114.25 1g5w s GLU 43 Ca 0.11 -0.10 -0.22 0.00 -2.50 0.00 0.00 54.97 52.26 1g5w s GLU 43 Cb -0.16 -1.43 0.02 0.00 0.00 0.00 0.00 34.13 32.56 1g5w s GLU 43 CO 0.10 -0.43 0.74 0.21 0.02 0.00 0.00 175.26 175.90 1g5w s LYS 44 N 1.92 3.52 -0.90 4.30 2.20 -1.26 -1.62 119.74 127.90 1g5w s LYS 44 Ca 0.03 -0.02 -0.13 0.00 -0.36 0.00 0.00 55.97 55.49 1g5w s LYS 44 Cb -0.14 -3.89 0.23 0.00 -1.51 0.00 0.00 37.83 32.52 1g5w s LYS 44 CO -0.06 -0.98 0.86 1.21 -0.36 0.00 0.00 175.35 176.02 1g5w s ASN 45 N 1.99 6.88 0.04 1.43 2.47 -0.72 -4.87 114.94 122.16 1g5w s ASN 45 Ca 0.28 -2.86 0.00 0.00 0.42 0.00 0.00 52.86 50.71 1g5w s ASN 45 Cb -0.13 -2.22 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 1g5w s ASN 45 CO 0.20 -0.54 0.00 0.61 -3.72 0.00 0.00 177.10 173.65 1g5w n GLY 46 N 3.77 2.05 0.00 1.21 0.00 -1.26 -3.03 105.19 107.95 1g5w n GLY 46 Ca 0.17 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1g5w n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g5w n ASP 47 N 6.61 1.80 -4.60 1.61 8.00 -1.26 -5.04 116.55 123.67 1g5w n ASP 47 Ca 0.00 -0.22 -0.40 0.00 0.71 0.00 0.00 54.79 54.88 1g5w n ASP 47 Cb 0.00 1.38 -0.08 0.00 -0.02 0.00 0.00 41.12 42.40 1g5w n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1g5w s ILE 48 N -2.60 5.07 -0.37 0.53 -1.09 -1.17 -4.72 121.20 116.85 1g5w s ILE 48 Ca -0.02 0.66 -0.25 0.00 -2.23 0.00 0.00 60.65 58.81 1g5w s ILE 48 Cb 0.08 -3.85 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1g5w s ILE 48 CO 0.48 0.01 0.89 -0.76 -1.23 0.00 0.00 174.94 174.33 1g5w s LEU 49 N 2.30 4.03 -0.49 2.97 1.43 -0.78 -1.76 118.68 126.39 1g5w s LEU 49 Ca 0.19 0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 53.68 1g5w s LEU 49 Cb -0.16 -3.20 0.10 0.00 0.03 0.00 0.00 46.19 42.96 1g5w s LEU 49 CO 0.11 -0.83 0.40 -0.89 0.23 0.00 0.00 176.35 175.37 1g5w s THR 50 N 3.38 4.89 -0.44 5.49 2.01 -0.64 -1.76 115.64 128.58 1g5w s THR 50 Ca 0.36 -1.41 -0.12 0.00 0.31 0.00 0.00 61.69 60.84 1g5w s THR 50 Cb -0.12 -4.06 0.07 0.00 0.01 0.00 0.00 72.50 68.40 1g5w s THR 50 CO 0.18 -0.71 0.31 -0.22 -0.69 0.00 0.00 174.62 173.49 1g5w s LEU 51 N 1.54 5.31 -0.22 4.42 0.20 -0.67 -2.26 118.68 126.99 1g5w s LEU 51 Ca 0.04 -1.42 -0.05 0.00 0.69 0.00 0.00 54.13 53.39 1g5w s LEU 51 Cb -0.27 -2.06 -0.02 0.00 -0.43 0.00 0.00 46.19 43.41 1g5w s LEU 51 CO 0.03 -0.57 0.01 -0.54 -0.29 0.00 0.00 176.35 174.99 1g5w s LYS 52 N 1.51 3.56 -0.66 1.98 1.02 -0.88 -2.56 119.74 123.71 1g5w s LYS 52 Ca 0.03 -0.54 -0.13 0.00 0.02 0.00 0.00 55.97 55.35 1g5w s LYS 52 Cb -0.23 -3.15 0.17 0.00 -0.52 0.00 0.00 37.83 34.10 1g5w s LYS 52 CO 0.04 -0.13 0.59 0.99 -0.92 0.00 0.00 175.35 175.92 1g5w s THR 53 N 1.38 5.16 -0.73 2.17 2.01 -0.96 -1.27 115.64 123.39 1g5w s THR 53 Ca 0.05 -2.05 -0.26 0.00 0.31 0.00 0.00 61.69 59.73 1g5w s THR 53 Cb -0.15 -4.26 0.04 0.00 0.01 0.00 0.00 72.50 68.14 1g5w s THR 53 CO 0.01 -0.93 1.23 -1.00 -0.69 0.00 0.00 174.62 173.25 1g5w s HIS 54 N 0.84 2.35 -0.11 4.92 3.76 -0.56 -3.57 115.29 122.91 1g5w s HIS 54 Ca 0.11 -0.14 0.20 0.00 -0.15 0.00 0.00 55.06 55.07 1g5w s HIS 54 Cb -0.20 -4.58 -0.30 0.00 1.11 0.00 0.00 32.58 28.61 1g5w s HIS 54 CO -0.03 -2.01 0.28 -1.13 -0.85 0.00 0.00 174.74 171.00 1g5w n SER 55 N 9.11 0.02 0.00 1.40 3.41 -1.26 -2.03 113.62 124.27 1g5w n SER 55 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1g5w n SER 55 Cb 0.48 1.52 0.00 0.00 -0.26 0.00 0.00 64.21 65.96 1g5w n SER 55 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1g5w n THR 56 N -2.49 0.00 0.00 6.66 -1.04 -1.26 -4.87 114.28 111.28 1g5w n THR 56 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1g5w n THR 56 Cb 0.85 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.36 1g5w n THR 56 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1g5w n PHE 57 N 0.00 0.00 -3.76 -1.42 7.35 -1.26 -4.92 117.46 113.46 1g5w n PHE 57 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1g5w n PHE 57 Cb 0.00 -0.10 -0.14 0.00 0.35 0.00 0.00 39.48 39.59 1g5w n PHE 57 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1g5w s LYS 58 N -1.25 0.13 -0.38 -4.13 3.01 -1.26 -5.14 119.74 110.72 1g5w s LYS 58 Ca 0.00 0.38 -0.29 0.00 -1.01 0.00 0.00 55.97 55.05 1g5w s LYS 58 Cb 0.00 -0.12 0.02 0.00 -1.01 0.00 0.00 37.83 36.72 1g5w s LYS 58 CO 0.00 -0.14 1.10 1.21 0.51 0.00 0.00 175.35 178.03 1g5w s ASN 59 N 0.99 6.81 -0.13 2.83 2.47 -1.26 -4.54 114.94 122.11 1g5w s ASN 59 Ca -0.08 0.80 -0.21 0.00 0.42 0.00 0.00 52.86 53.80 1g5w s ASN 59 Cb -0.09 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.13 1g5w s ASN 59 CO -0.05 -1.03 0.60 0.42 -3.72 0.00 0.00 177.10 173.32 1g5w s THR 60 N 3.97 5.09 -0.14 -5.21 -4.23 -1.23 -4.90 115.64 108.98 1g5w s THR 60 Ca 0.46 1.19 0.01 0.00 -1.18 0.00 0.00 61.69 62.17 1g5w s THR 60 Cb -0.10 -3.93 0.02 0.00 1.34 0.00 0.00 72.50 69.83 1g5w s THR 60 CO 0.22 0.23 -0.16 -0.70 -0.54 0.00 0.00 174.62 173.66 1g5w s GLU 61 N 1.14 2.46 -0.14 3.99 -6.30 -1.26 -2.27 118.70 116.31 1g5w s GLU 61 Ca 0.31 -0.63 0.01 0.00 -2.50 0.00 0.00 54.97 52.15 1g5w s GLU 61 Cb -0.16 -2.15 -0.00 0.00 0.00 0.00 0.00 34.13 31.82 1g5w s GLU 61 CO 0.13 -0.15 -0.16 0.96 0.02 0.00 0.00 175.26 176.05 1g5w s ILE 62 N 1.22 2.61 -0.36 -3.70 -4.36 -1.06 -5.00 121.20 110.55 1g5w s ILE 62 Ca -0.00 -0.80 -0.00 0.00 -0.26 0.00 0.00 60.65 59.59 1g5w s ILE 62 Cb -0.14 -2.09 0.10 0.00 1.25 0.00 0.00 42.46 41.58 1g5w s ILE 62 CO -0.07 0.52 0.11 -0.94 0.24 0.00 0.00 174.94 174.80 1g5w s SER 63 N 0.69 5.00 0.01 4.36 1.04 -1.26 -1.67 113.70 121.88 1g5w s SER 63 Ca -0.08 -1.95 0.03 0.00 0.48 0.00 0.00 55.95 54.43 1g5w s SER 63 Cb -0.16 -1.73 -0.01 0.00 0.10 0.00 0.00 66.02 64.22 1g5w s SER 63 CO 0.02 -0.43 -0.10 0.72 0.98 0.00 0.00 173.24 174.43 1g5w s PHE 64 N 1.07 0.87 0.03 5.02 -0.71 -0.72 -4.89 117.98 118.65 1g5w s PHE 64 Ca 0.07 -0.23 -0.04 0.00 -1.04 0.00 0.00 56.93 55.68 1g5w s PHE 64 Cb -0.21 -0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 41.01 1g5w s PHE 64 CO -0.05 -0.01 0.25 0.15 -1.34 0.00 0.00 175.22 174.22 1g5w s LYS 65 N -0.57 3.53 -0.32 1.99 1.02 -1.26 -1.86 119.74 122.27 1g5w s LYS 65 Ca 0.01 -0.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.52 1g5w s LYS 65 Cb -0.05 -3.04 -0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1g5w s LYS 65 CO 0.00 0.62 1.41 -0.51 -0.92 0.00 0.00 175.35 175.95 1g5w s LEU 66 N -2.07 3.78 0.00 3.17 2.01 -1.26 -3.00 118.68 121.31 1g5w s LEU 66 Ca 0.31 1.17 0.00 0.00 0.01 0.00 0.00 54.13 55.62 1g5w s LEU 66 Cb -0.13 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.53 1g5w s LEU 66 CO 0.20 -1.24 0.00 0.61 1.01 0.00 0.00 176.35 176.93 1g5w n GLY 67 N 4.64 0.69 2.77 -3.19 0.00 -0.42 -4.88 105.19 104.80 1g5w n GLY 67 Ca 0.16 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 1g5w n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g5w s VAL 68 N -2.49 -0.17 0.00 1.61 1.01 -1.16 -5.03 120.40 114.17 1g5w s VAL 68 Ca 0.00 0.36 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 1g5w s VAL 68 Cb 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 1g5w s VAL 68 CO 0.00 0.15 0.73 -0.70 0.00 0.00 0.00 175.10 175.28 1g5w s GLU 69 N 2.06 4.46 0.02 2.72 2.12 -1.26 -4.25 118.70 124.57 1g5w s GLU 69 Ca 0.02 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1g5w s GLU 69 Cb -0.12 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 1g5w s GLU 69 CO -0.04 0.22 -0.04 -0.59 -0.54 0.00 0.00 175.26 174.26 1g5w s PHE 70 N 0.23 0.33 0.13 5.30 -0.71 -0.94 -4.93 117.98 117.39 1g5w s PHE 70 Ca 0.38 -0.52 -0.30 0.00 -1.04 0.00 0.00 56.93 55.45 1g5w s PHE 70 Cb -0.19 -0.22 -0.07 0.00 -1.21 0.00 0.00 43.02 41.33 1g5w s PHE 70 CO 0.21 -0.17 1.15 0.16 -1.34 0.00 0.00 175.22 175.23 1g5w s ASP 71 N -1.46 7.17 -0.08 1.98 1.47 -1.26 -1.46 116.67 123.02 1g5w s ASP 71 Ca -0.15 2.08 -0.06 0.00 1.18 0.00 0.00 52.55 55.60 1g5w s ASP 71 Cb -0.10 -2.59 0.03 0.00 -0.34 0.00 0.00 42.92 39.92 1g5w s ASP 71 CO -0.01 -0.34 0.21 -0.70 0.68 0.00 0.00 175.17 175.02 1g5w s GLU 72 N 0.19 0.22 -0.16 2.11 2.56 -0.98 -4.98 118.70 117.66 1g5w s GLU 72 Ca 0.53 0.36 -0.03 0.00 0.00 0.00 0.00 54.97 55.83 1g5w s GLU 72 Cb -0.30 0.04 -0.02 0.00 2.00 0.00 0.00 34.13 35.85 1g5w s GLU 72 CO 0.33 -0.07 -0.07 0.99 -0.56 0.00 0.00 175.26 175.88 1g5w s THR 73 N 0.48 3.55 0.57 -1.70 2.01 -1.26 -1.16 115.64 118.13 1g5w s THR 73 Ca -0.03 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 1g5w s THR 73 Cb -0.04 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1g5w s THR 73 CO -0.02 0.49 0.88 0.42 -0.69 0.00 0.00 174.62 175.70 1g5w s THR 74 N 0.55 3.86 0.48 -0.82 -4.23 -0.94 -4.95 115.64 109.58 1g5w s THR 74 Ca -0.05 0.04 0.20 0.00 -1.18 0.00 0.00 61.69 60.70 1g5w s THR 74 Cb -0.15 -3.52 0.37 0.00 1.34 0.00 0.00 72.50 70.54 1g5w s THR 74 CO 0.03 -0.53 1.96 0.00 -0.54 0.00 0.00 174.62 175.54 1g5w h ALA 75 N -0.11 2.28 -3.00 3.99 0.00 -1.93 -3.34 119.26 117.15 1g5w h ALA 75 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1g5w h ALA 75 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1g5w h ALA 75 CO 0.61 -0.45 0.00 -0.25 0.00 0.00 0.00 179.25 179.16 1g5w n ASP 76 N -4.43 0.00 -2.72 0.00 9.92 -1.26 -5.01 116.55 113.04 1g5w n ASP 76 Ca 0.11 0.03 0.01 0.00 -0.53 0.00 0.00 54.79 54.41 1g5w n ASP 76 Cb 0.54 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.03 1g5w n ASP 76 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1g5w s ASP 77 N -1.13 -0.25 -0.10 -2.24 -4.77 -1.25 -5.16 116.67 101.76 1g5w s ASP 77 Ca 0.00 -0.17 -0.03 0.00 -3.30 0.00 0.00 52.55 49.05 1g5w s ASP 77 Cb 0.00 0.33 0.04 0.00 -1.09 0.00 0.00 42.92 42.20 1g5w s ASP 77 CO 0.00 -0.02 0.07 -0.13 0.70 0.00 0.00 175.17 175.79 1g5w s ARG 78 N 1.73 -0.00 -0.36 2.11 0.52 -1.26 -4.97 118.95 116.71 1g5w s ARG 78 Ca 0.17 0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.24 1g5w s ARG 78 Cb 0.06 -1.16 0.02 0.00 0.52 0.00 0.00 34.95 34.39 1g5w s ARG 78 CO -0.14 -0.50 1.10 -1.59 0.02 0.00 0.00 175.30 174.19 1g5w s LYS 79 N 2.15 3.98 -0.02 3.54 0.00 -1.26 -2.22 119.74 125.91 1g5w s LYS 79 Ca 0.04 0.96 0.05 0.00 0.00 0.00 0.00 55.97 57.02 1g5w s LYS 79 Cb -0.14 -3.78 -0.01 0.00 0.00 0.00 0.00 37.83 33.89 1g5w s LYS 79 CO -0.06 -1.03 -0.19 0.14 0.00 0.00 0.00 175.35 174.22 1g5w s VAL 80 N 3.88 1.49 -0.51 1.79 -7.23 -0.30 -4.72 120.40 114.80 1g5w s VAL 80 Ca 0.46 -0.79 -0.25 0.00 -1.81 0.00 0.00 61.98 59.59 1g5w s VAL 80 Cb -0.11 -1.25 0.03 0.00 0.56 0.00 0.00 36.38 35.61 1g5w s VAL 80 CO 0.20 0.42 0.97 -0.54 -0.31 0.00 0.00 175.10 175.83 1g5w s LYS 81 N -0.32 3.45 -0.46 4.82 -0.14 -0.51 -2.32 119.74 124.26 1g5w s LYS 81 Ca 0.04 0.01 -0.09 0.00 -1.36 0.00 0.00 55.97 54.58 1g5w s LYS 81 Cb -0.08 -3.98 0.11 0.00 -1.68 0.00 0.00 37.83 32.19 1g5w s LYS 81 CO 0.00 -1.38 0.33 0.45 -0.76 0.00 0.00 175.35 173.99 1g5w s SER 82 N 2.57 5.68 -0.26 2.83 0.15 -0.54 -2.14 113.70 122.00 1g5w s SER 82 Ca 0.35 -1.85 -0.03 0.00 0.70 0.00 0.00 55.95 55.12 1g5w s SER 82 Cb -0.11 -2.00 0.02 0.00 -1.71 0.00 0.00 66.02 62.22 1g5w s SER 82 CO 0.24 -0.67 -0.03 -0.51 1.20 0.00 0.00 173.24 173.48 1g5w s ILE 83 N 1.37 3.20 -0.05 6.45 1.10 -0.63 -2.20 121.20 130.43 1g5w s ILE 83 Ca 0.05 -0.87 0.00 0.00 -0.51 0.00 0.00 60.65 59.32 1g5w s ILE 83 Cb -0.26 -2.61 0.02 0.00 0.15 0.00 0.00 42.46 39.77 1g5w s ILE 83 CO -0.00 0.20 -0.04 0.54 -2.11 0.00 0.00 174.94 173.53 1g5w s VAL 84 N 1.39 0.54 0.11 4.00 0.11 -1.26 -1.30 120.40 123.98 1g5w s VAL 84 Ca 0.02 -0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.02 1g5w s VAL 84 Cb -0.16 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1g5w s VAL 84 CO -0.03 0.24 -0.10 0.28 -3.33 0.00 0.00 175.10 172.17 1g5w s THR 85 N 1.19 0.98 -0.37 5.04 -1.32 -0.95 -1.30 115.64 118.90 1g5w s THR 85 Ca -0.07 -1.83 -0.22 0.00 -1.21 0.00 0.00 61.69 58.36 1g5w s THR 85 Cb -0.14 -1.58 0.01 0.00 -1.51 0.00 0.00 72.50 69.28 1g5w s THR 85 CO -0.01 -0.68 0.74 -0.22 -2.21 0.00 0.00 174.62 172.24 1g5w s LEU 86 N -2.79 4.19 -0.79 9.08 2.96 -1.26 -1.19 118.68 128.87 1g5w s LEU 86 Ca 0.10 0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 54.17 1g5w s LEU 86 Cb 0.00 -2.95 0.20 0.00 0.50 0.00 0.00 46.19 43.95 1g5w s LEU 86 CO -0.01 -0.72 0.68 -0.62 -1.32 0.00 0.00 176.35 174.36 1g5w s ASP 87 N 1.87 6.06 -1.14 3.68 -1.08 -0.27 -4.67 116.67 121.12 1g5w s ASP 87 Ca 0.29 -3.06 -0.01 0.00 -0.52 0.00 0.00 52.55 49.25 1g5w s ASP 87 Cb -0.13 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.32 1g5w s ASP 87 CO 0.17 -0.38 0.96 0.61 0.52 0.00 0.00 175.17 177.05 1g5w n GLY 88 N 3.31 -0.33 2.25 2.66 0.00 -1.26 -3.12 105.19 108.71 1g5w n GLY 88 Ca 0.14 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1g5w n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g5w n GLY 89 N -1.26 0.38 2.67 -0.02 0.00 -1.26 -5.05 105.19 100.66 1g5w n GLY 89 Ca -0.22 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 1g5w n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g5w s LYS 90 N -3.98 0.12 -0.53 1.61 2.36 -1.18 -4.85 119.74 113.29 1g5w s LYS 90 Ca 0.00 0.03 -0.23 0.00 -2.55 0.00 0.00 55.97 53.23 1g5w s LYS 90 Cb 0.00 -1.56 0.04 0.00 -1.05 0.00 0.00 37.83 35.26 1g5w s LYS 90 CO 0.00 -0.67 0.84 -1.17 1.55 0.00 0.00 175.35 175.90 1g5w s LEU 91 N 2.22 4.34 -0.37 5.43 0.20 -1.02 -1.11 118.68 128.37 1g5w s LEU 91 Ca 0.04 -0.46 -0.11 0.00 0.69 0.00 0.00 54.13 54.28 1g5w s LEU 91 Cb -0.16 -2.75 0.02 0.00 -0.43 0.00 0.00 46.19 42.88 1g5w s LEU 91 CO -0.11 -1.10 0.22 -0.69 -0.29 0.00 0.00 176.35 174.38 1g5w s VAL 92 N 3.52 4.69 -0.11 1.68 1.01 -0.33 -1.91 120.40 128.94 1g5w s VAL 92 Ca 0.26 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1g5w s VAL 92 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1g5w s VAL 92 CO 0.18 -0.22 0.06 -2.28 0.00 0.00 0.00 175.10 172.84 1g5w s HIS 93 N 1.58 3.35 -0.09 5.22 5.04 -1.20 -2.23 115.29 126.96 1g5w s HIS 93 Ca 0.03 0.32 -0.01 0.00 -1.54 0.00 0.00 55.06 53.86 1g5w s HIS 93 Cb -0.19 -1.88 0.03 0.00 0.04 0.00 0.00 32.58 30.57 1g5w s HIS 93 CO 0.07 0.54 -0.04 -1.17 -2.34 0.00 0.00 174.74 171.80 1g5w s LEU 94 N -0.80 0.95 -0.17 8.88 2.96 -0.42 -1.26 118.68 128.81 1g5w s LEU 94 Ca 0.13 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1g5w s LEU 94 Cb -0.12 -0.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 1g5w s LEU 94 CO 0.03 -0.14 0.01 -1.10 -1.32 0.00 0.00 176.35 173.83 1g5w s GLN 95 N 1.73 3.81 -0.06 1.98 -0.21 -0.55 -1.61 119.66 124.75 1g5w s GLN 95 Ca 0.03 -0.44 0.02 0.00 0.02 0.00 0.00 55.36 54.99 1g5w s GLN 95 Cb -0.13 -3.07 0.01 0.00 1.00 0.00 0.00 33.01 30.83 1g5w s GLN 95 CO -0.06 0.24 -0.11 0.15 -2.12 0.00 0.00 175.29 173.39 1g5w s LYS 96 N 0.42 1.51 -0.26 2.91 1.02 -0.91 -1.37 119.74 123.06 1g5w s LYS 96 Ca -0.00 -0.36 -0.03 0.00 0.02 0.00 0.00 55.97 55.60 1g5w s LYS 96 Cb -0.13 -1.28 0.14 0.00 -0.52 0.00 0.00 37.83 36.04 1g5w s LYS 96 CO 0.02 0.02 0.46 1.67 -0.92 0.00 0.00 175.35 176.60 1g5w s TRP 97 N 0.67 -1.08 0.00 3.18 -2.14 -0.53 -1.42 118.94 117.63 1g5w s TRP 97 Ca -0.13 1.29 0.00 0.00 2.66 0.00 0.00 56.10 59.91 1g5w s TRP 97 Cb -0.15 0.27 0.00 0.00 -3.10 0.00 0.00 33.47 30.49 1g5w s TRP 97 CO 0.03 -0.73 0.00 -3.47 -2.66 0.00 0.00 176.95 170.12 1g5w n ASP 98 N 5.39 0.00 -2.31 -2.66 2.03 -1.26 -1.77 116.55 115.97 1g5w n ASP 98 Ca -0.04 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.99 1g5w n ASP 98 Cb 0.50 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.92 1g5w n ASP 98 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g5w n GLY 99 N 0.00 6.13 3.29 0.27 0.00 -1.26 -5.01 105.19 108.61 1g5w n GLY 99 Ca 0.00 -2.66 -0.09 0.00 0.00 0.00 0.00 46.02 43.27 1g5w n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g5w s GLN 100 N -3.64 0.39 -0.02 1.61 -0.21 -0.73 -5.17 119.66 111.89 1g5w s GLN 100 Ca 0.51 0.90 0.00 0.00 0.02 0.00 0.00 55.36 56.80 1g5w s GLN 100 Cb 0.42 0.11 0.03 0.00 1.00 0.00 0.00 33.01 34.57 1g5w s GLN 100 CO -0.10 -0.19 0.02 -1.21 -2.12 0.00 0.00 175.29 171.69 1g5w s GLU 101 N 1.84 0.05 -0.05 2.91 8.01 -1.26 -1.45 118.70 128.75 1g5w s GLU 101 Ca -0.07 0.14 0.04 0.00 0.01 0.00 0.00 54.97 55.10 1g5w s GLU 101 Cb -0.09 -0.29 -0.00 0.00 -4.31 0.00 0.00 34.13 29.43 1g5w s GLU 101 CO -0.13 -0.14 -0.18 -0.08 0.01 0.00 0.00 175.26 174.73 1g5w s THR 102 N 0.97 1.52 -0.06 3.63 -1.32 -0.47 -4.70 115.64 115.21 1g5w s THR 102 Ca -0.08 -0.75 -0.12 0.00 -1.21 0.00 0.00 61.69 59.52 1g5w s THR 102 Cb -0.12 -1.31 -0.05 0.00 -1.51 0.00 0.00 72.50 69.51 1g5w s THR 102 CO -0.02 0.44 0.32 0.42 -2.21 0.00 0.00 174.62 173.56 1g5w s THR 103 N 0.11 5.20 -0.79 5.08 -4.23 -0.69 -1.48 115.64 118.84 1g5w s THR 103 Ca -0.06 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1g5w s THR 103 Cb -0.13 -3.61 0.20 0.00 1.34 0.00 0.00 72.50 70.29 1g5w s THR 103 CO 0.03 0.56 0.64 -0.76 -0.54 0.00 0.00 174.62 174.55 1g5w s LEU 104 N -0.85 5.28 -0.39 4.79 1.02 -0.39 -2.02 118.68 126.12 1g5w s LEU 104 Ca 0.20 -3.61 -0.21 0.00 0.02 0.00 0.00 54.13 50.53 1g5w s LEU 104 Cb -0.15 -1.82 0.01 0.00 0.02 0.00 0.00 46.19 44.25 1g5w s LEU 104 CO 0.10 -0.19 0.66 -0.69 0.02 0.00 0.00 176.35 176.25 1g5w s VAL 105 N -1.16 4.83 -0.19 -1.59 1.01 -0.70 -3.26 120.40 119.34 1g5w s VAL 105 Ca 0.25 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 1g5w s VAL 105 Cb -0.09 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1g5w s VAL 105 CO -0.12 -0.46 0.03 -0.13 0.00 0.00 0.00 175.10 174.42 1g5w s ARG 106 N 2.83 3.80 -0.02 2.72 0.52 -0.80 -1.09 118.95 126.91 1g5w s ARG 106 Ca 0.25 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1g5w s ARG 106 Cb -0.14 -3.13 0.02 0.00 0.52 0.00 0.00 34.95 32.22 1g5w s ARG 106 CO 0.17 0.16 0.02 -1.83 0.02 0.00 0.00 175.30 173.84 1g5w s GLU 107 N 0.64 0.02 -0.41 3.54 1.03 -0.99 -2.43 118.70 120.11 1g5w s GLU 107 Ca 0.01 0.12 -0.29 0.00 0.03 0.00 0.00 54.97 54.84 1g5w s GLU 107 Cb -0.14 -0.22 0.02 0.00 -0.80 0.00 0.00 34.13 33.00 1g5w s GLU 107 CO 0.02 -0.11 1.10 -0.51 -1.33 0.00 0.00 175.26 174.43 1g5w s LEU 108 N 0.76 3.78 -0.29 1.83 2.01 -1.26 -1.80 118.68 123.70 1g5w s LEU 108 Ca -0.07 0.72 0.02 0.00 0.01 0.00 0.00 54.13 54.81 1g5w s LEU 108 Cb -0.09 -3.53 0.07 0.00 0.01 0.00 0.00 46.19 42.64 1g5w s LEU 108 CO -0.02 -1.08 -0.04 -0.63 1.01 0.00 0.00 176.35 175.59 1g5w s ILE 109 N 4.08 2.40 -1.21 -0.59 1.01 -0.88 -4.80 121.20 121.19 1g5w s ILE 109 Ca 0.46 -1.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.32 1g5w s ILE 109 Cb -0.09 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1g5w s ILE 109 CO 0.24 -0.22 0.97 0.47 0.00 0.00 0.00 174.94 176.40 1g5w n ASP 110 N 4.43 -2.00 -1.42 3.58 8.00 -1.26 -2.72 116.55 125.16 1g5w n ASP 110 Ca -0.09 -0.64 -0.18 0.00 0.71 0.00 0.00 54.79 54.59 1g5w n ASP 110 Cb 0.42 -5.00 -0.07 0.00 -0.02 0.00 0.00 41.12 36.45 1g5w n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g5w n GLY 111 N -1.19 1.48 2.99 0.44 0.00 -1.26 -5.03 105.19 102.62 1g5w n GLY 111 Ca -0.29 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1g5w n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g5w s LYS 112 N -3.65 1.30 -0.51 1.61 1.02 -1.10 -4.55 119.74 113.86 1g5w s LYS 112 Ca 0.00 -0.31 -0.27 0.00 0.02 0.00 0.00 55.97 55.40 1g5w s LYS 112 Cb 0.00 -1.14 0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1g5w s LYS 112 CO 0.00 0.03 1.08 -1.17 -0.92 0.00 0.00 175.35 174.37 1g5w s LEU 113 N 0.60 3.72 -0.49 3.17 2.96 -0.78 -2.08 118.68 125.79 1g5w s LEU 113 Ca -0.11 0.20 -0.15 0.00 -0.22 0.00 0.00 54.13 53.85 1g5w s LEU 113 Cb -0.14 -3.29 0.09 0.00 0.50 0.00 0.00 46.19 43.36 1g5w s LEU 113 CO 0.02 -1.27 0.42 -0.63 -1.32 0.00 0.00 176.35 173.58 1g5w s ILE 114 N 4.37 5.14 -0.67 6.68 -1.09 -0.74 -2.03 121.20 132.86 1g5w s ILE 114 Ca 0.42 -1.25 -0.20 0.00 -2.23 0.00 0.00 60.65 57.39 1g5w s ILE 114 Cb -0.08 -4.16 0.10 0.00 -1.58 0.00 0.00 42.46 36.74 1g5w s ILE 114 CO 0.28 -0.68 0.85 -0.22 -1.23 0.00 0.00 174.94 173.93 1g5w s LEU 115 N 1.61 5.07 -0.47 2.97 2.96 -0.51 -2.36 118.68 127.95 1g5w s LEU 115 Ca 0.04 -1.42 -0.23 0.00 -0.22 0.00 0.00 54.13 52.29 1g5w s LEU 115 Cb -0.26 -2.35 0.03 0.00 0.50 0.00 0.00 46.19 44.11 1g5w s LEU 115 CO 0.05 -1.20 0.81 -0.89 -1.32 0.00 0.00 176.35 173.80 1g5w s THR 116 N 3.05 4.60 -0.72 3.68 2.01 -0.25 -1.49 115.64 126.52 1g5w s THR 116 Ca 0.18 0.38 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 1g5w s THR 116 Cb -0.19 -4.36 0.19 0.00 0.01 0.00 0.00 72.50 68.14 1g5w s THR 116 CO 0.05 -0.80 0.66 -0.76 -0.69 0.00 0.00 174.62 173.08 1g5w s LEU 117 N 3.40 6.52 -0.33 4.42 1.43 -0.43 -1.73 118.68 131.96 1g5w s LEU 117 Ca 0.30 -2.36 -0.09 0.00 -1.03 0.00 0.00 54.13 50.95 1g5w s LEU 117 Cb -0.12 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1g5w s LEU 117 CO 0.22 -0.67 0.14 -0.89 0.23 0.00 0.00 176.35 175.38 1g5w s THR 118 N 0.69 4.27 0.00 5.49 2.01 -0.85 -1.86 115.64 125.39 1g5w s THR 118 Ca 0.12 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1g5w s THR 118 Cb -0.18 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1g5w s THR 118 CO -0.04 -0.08 0.00 1.57 -0.69 0.00 0.00 174.62 175.38 1g5w n HIS 119 N 4.92 0.00 0.00 4.92 -0.00 -1.24 -1.70 115.22 122.12 1g5w n HIS 119 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 1g5w n HIS 119 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 1g5w n HIS 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1g5w n GLY 120 N 2.08 1.44 1.58 1.57 0.00 -1.26 -4.82 105.19 105.79 1g5w n GLY 120 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1g5w n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1g5w n THR 121 N 0.00 2.06 -3.18 2.61 5.66 -1.26 -4.76 114.28 115.41 1g5w n THR 121 Ca 0.00 -0.93 0.02 0.00 -3.05 0.00 0.00 64.05 60.09 1g5w n THR 121 Cb 0.00 -0.80 -0.02 0.00 -1.55 0.00 0.00 70.33 67.96 1g5w n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1g5w s ALA 122 N -1.52 -2.08 -0.19 1.79 0.00 -1.26 -5.01 121.76 113.49 1g5w s ALA 122 Ca 0.26 1.50 -0.05 0.00 0.00 0.00 0.00 51.96 53.68 1g5w s ALA 122 Cb 0.22 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 1g5w s ALA 122 CO 0.05 -1.43 -0.01 0.54 0.00 0.00 0.00 175.76 174.90 1g5w s VAL 123 N 2.80 3.95 -0.37 0.00 0.11 -1.26 -3.65 120.40 121.98 1g5w s VAL 123 Ca 0.17 -0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1g5w s VAL 123 Cb -0.14 -2.77 0.06 0.00 -1.53 0.00 0.00 36.38 32.00 1g5w s VAL 123 CO -0.22 0.45 0.15 0.00 -3.33 0.00 0.00 175.10 172.16 1g5w s THR 125 N 1.35 4.49 -0.27 0.00 2.01 -1.17 -1.32 115.64 120.74 1g5w s THR 125 Ca 0.01 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1g5w s THR 125 Cb -0.21 -4.61 -0.05 0.00 0.01 0.00 0.00 72.50 67.64 1g5w s THR 125 CO 0.01 -1.32 0.21 -0.13 -0.69 0.00 0.00 174.62 172.70 1g5w s ARG 126 N 3.60 3.99 -0.08 4.92 0.52 -0.56 -3.88 118.95 127.46 1g5w s ARG 126 Ca 0.19 -0.26 -0.20 0.00 -0.52 0.00 0.00 55.73 54.94 1g5w s ARG 126 Cb -0.19 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 1g5w s ARG 126 CO 0.09 -0.14 0.56 0.99 0.02 0.00 0.00 175.30 176.83 1g5w s THR 127 N 1.64 5.09 -0.06 0.02 2.01 -0.95 -1.42 115.64 121.96 1g5w s THR 127 Ca 0.08 1.15 0.03 0.00 0.31 0.00 0.00 61.69 63.26 1g5w s THR 127 Cb -0.15 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.46 1g5w s THR 127 CO 0.10 0.33 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.90 1g5w s TYR 128 N 0.46 1.62 0.13 4.92 1.51 -0.86 -1.52 117.35 123.61 1g5w s TYR 128 Ca 0.30 -0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 1g5w s TYR 128 Cb -0.16 -1.15 -0.05 0.00 -0.11 0.00 0.00 41.96 40.48 1g5w s TYR 128 CO 0.14 -0.27 0.35 -2.00 -1.11 0.00 0.00 175.55 172.66 1g5w s GLU 129 N 0.50 3.58 -0.07 -0.62 2.12 -1.18 -1.86 118.70 121.17 1g5w s GLU 129 Ca -0.13 -0.16 -0.29 0.00 0.36 0.00 0.00 54.97 54.75 1g5w s GLU 129 Cb -0.15 -2.88 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 1g5w s GLU 129 CO 0.04 0.49 0.96 0.21 -0.54 0.00 0.00 175.26 176.42 1g5w s LYS 130 N -2.65 4.46 -0.44 4.30 2.20 -1.26 -2.89 119.74 123.45 1g5w s LYS 130 Ca 0.40 1.34 0.08 0.00 -0.36 0.00 0.00 55.97 57.43 1g5w s LYS 130 Cb -0.12 -3.51 0.41 0.00 -1.51 0.00 0.00 37.83 33.10 1g5w s LYS 130 CO 0.25 -0.21 1.03 0.39 -0.36 0.00 0.00 175.35 176.46 1g5w n GLU 131 N 4.58 2.81 0.00 4.03 -0.58 -0.27 -4.98 120.64 126.24 1g5w n GLU 131 Ca 0.07 -4.26 0.00 0.00 -0.42 0.00 0.00 57.16 52.55 1g5w n GLU 131 Cb 0.50 -2.02 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 1g5w n GLU 131 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65