#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 0.42 -0.07 6.55 3.58 -2.03 -3.32 116.42 121.56 1g5w h ASP 2 Ca 0.00 -0.62 0.02 0.00 0.42 0.00 0.00 57.03 56.85 1g5w h ASP 2 Cb 0.00 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.91 1g5w h ASP 2 CO 0.00 1.52 0.09 0.00 -2.88 0.00 0.00 179.24 177.97 1g5w h ALA 3 N 0.41 1.58 0.00 -0.78 0.00 -2.04 -2.47 119.26 115.97 1g5w h ALA 3 Ca -0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1g5w h ALA 3 Cb 2.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1g5w h ALA 3 CO 0.16 -0.13 -0.01 0.74 0.00 0.00 0.00 179.25 180.01 1g5w h PHE 4 N 0.00 0.00 -3.31 0.00 0.04 -1.99 -3.47 116.94 108.21 1g5w h PHE 4 Ca 0.03 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.25 1g5w h PHE 4 Cb 0.21 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 1g5w h PHE 4 CO 0.00 0.01 0.49 -0.51 -0.60 0.00 0.00 178.31 177.69 1g5w s LEU 5 N -6.21 4.28 0.00 1.54 1.43 -0.93 -4.69 118.68 114.10 1g5w s LEU 5 Ca 0.00 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1g5w s LEU 5 Cb 0.10 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1g5w s LEU 5 CO 0.53 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1g5w n GLY 6 N 3.06 -0.01 3.79 -3.19 0.00 -0.91 -4.99 105.19 102.93 1g5w n GLY 6 Ca 0.07 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.83 5.10 -0.14 2.61 2.01 -1.02 -1.71 115.64 120.66 1g5w s THR 7 Ca 0.00 0.86 -0.03 0.00 0.31 0.00 0.00 61.69 62.83 1g5w s THR 7 Cb 0.00 -3.75 0.05 0.00 0.01 0.00 0.00 72.50 68.81 1g5w s THR 7 CO 0.00 0.48 0.05 0.26 -0.69 0.00 0.00 174.62 174.71 1g5w s TRP 8 N -0.36 0.55 0.16 4.92 0.52 -0.67 -0.94 118.94 123.12 1g5w s TRP 8 Ca 0.24 -0.37 -0.08 0.00 0.02 0.00 0.00 56.10 55.91 1g5w s TRP 8 Cb -0.16 -0.79 -0.06 0.00 -1.15 0.00 0.00 33.47 31.31 1g5w s TRP 8 CO 0.12 -0.45 0.44 0.15 0.02 0.00 0.00 176.95 177.23 1g5w s LYS 9 N 2.01 3.72 0.21 4.98 1.02 -1.04 -1.45 119.74 129.19 1g5w s LYS 9 Ca 0.02 0.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 1g5w s LYS 9 Cb -0.15 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.26 1g5w s LYS 9 CO -0.07 0.44 1.23 -1.17 -0.92 0.00 0.00 175.35 174.87 1g5w s LEU 10 N -2.51 4.45 -0.07 3.17 2.96 -1.26 -2.87 118.68 122.54 1g5w s LEU 10 Ca 0.41 2.33 -0.01 0.00 -0.22 0.00 0.00 54.13 56.64 1g5w s LEU 10 Cb -0.12 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1g5w s LEU 10 CO 0.22 -0.42 -0.08 0.52 -1.32 0.00 0.00 176.35 175.28 1g5w n VAL 11 N 2.31 0.41 -4.25 1.68 0.31 -0.23 -4.91 118.33 113.65 1g5w n VAL 11 Ca 0.04 -0.14 -0.21 0.00 -0.01 0.00 0.00 64.34 64.02 1g5w n VAL 11 Cb 0.44 -1.07 -0.12 0.00 -0.91 0.00 0.00 33.84 32.18 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 -5.06 2.22 -0.37 4.52 -1.08 -1.04 -4.96 116.67 110.89 1g5w s ASP 12 Ca -0.10 -0.69 0.02 0.00 -0.52 0.00 0.00 52.55 51.27 1g5w s ASP 12 Cb 0.03 -0.10 0.15 0.00 -1.46 0.00 0.00 42.92 41.54 1g5w s ASP 12 CO 0.15 -0.01 0.33 -0.94 0.52 0.00 0.00 175.17 175.23 1g5w s SER 13 N -1.96 1.64 -0.23 -0.34 1.04 -1.26 -3.27 113.70 109.33 1g5w s SER 13 Ca 0.05 -1.93 -0.09 0.00 0.48 0.00 0.00 55.95 54.45 1g5w s SER 13 Cb -0.09 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 1g5w s SER 13 CO 0.04 -0.26 0.12 -0.54 0.98 0.00 0.00 173.24 173.58 1g5w s LYS 14 N 1.15 3.96 -0.59 4.02 1.02 -1.11 -4.54 119.74 123.66 1g5w s LYS 14 Ca 0.19 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.85 1g5w s LYS 14 Cb -0.15 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1g5w s LYS 14 CO -0.03 0.06 0.00 0.09 -0.92 0.00 0.00 175.35 174.55 1g5w n ASN 15 N 4.23 -3.99 -0.12 2.83 3.02 -1.26 -2.64 115.26 117.32 1g5w n ASN 15 Ca -0.16 0.14 -0.12 0.00 -0.03 0.00 0.00 54.58 54.41 1g5w n ASN 15 Cb 0.52 -1.98 -0.03 0.00 -0.61 0.00 0.00 39.78 37.69 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 0.93 -0.57 3.10 3.57 -1.92 -2.57 116.94 119.48 1g5w h PHE 16 Ca -0.11 -0.25 0.12 0.00 3.53 0.00 0.00 57.97 61.26 1g5w h PHE 16 Cb 0.47 -0.21 -0.10 0.00 2.79 0.00 0.00 35.95 38.90 1g5w h PHE 16 CO 0.22 1.00 -0.06 0.22 -2.23 0.00 0.00 178.31 177.47 1g5w h ASP 17 N 0.59 -0.36 0.02 0.41 3.58 -1.94 -1.42 116.42 117.29 1g5w h ASP 17 Ca 0.08 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1g5w h ASP 17 Cb 0.79 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 1g5w h ASP 17 CO 0.06 -0.14 -0.04 -0.78 -2.88 0.00 0.00 179.24 175.47 1g5w h ASP 18 N 0.07 -0.11 -0.25 2.28 3.58 -1.97 -1.92 116.42 118.10 1g5w h ASP 18 Ca 0.29 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.81 1g5w h ASP 18 Cb 0.45 0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.48 1g5w h ASP 18 CO -0.53 -0.06 -0.17 0.22 -2.88 0.00 0.00 179.24 175.82 1g5w h TYR 19 N -0.08 -0.43 -0.70 0.28 3.20 -1.40 -2.30 116.97 115.55 1g5w h TYR 19 Ca 0.01 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1g5w h TYR 19 Cb 0.09 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1g5w h TYR 19 CO -0.10 -0.24 0.15 0.52 -1.64 0.00 0.00 178.16 176.85 1g5w h MET 20 N -0.16 1.14 -0.58 1.82 2.86 -1.28 -2.55 114.93 116.18 1g5w h MET 20 Ca 0.14 -0.28 0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1g5w h MET 20 Cb 0.37 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 1g5w h MET 20 CO -0.35 1.01 0.28 -0.22 1.06 0.00 0.00 176.91 178.69 1g5w h LYS 21 N 1.07 0.50 -0.85 1.72 3.64 -1.34 -2.68 116.57 118.62 1g5w h LYS 21 Ca 0.22 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1g5w h LYS 21 Cb 0.40 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1g5w h LYS 21 CO 0.01 0.33 0.57 1.03 -2.27 0.00 0.00 179.45 179.11 1g5w h SER 22 N 0.51 0.97 0.38 4.20 0.87 -1.30 -2.88 113.55 116.30 1g5w h SER 22 Ca 0.27 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1g5w h SER 22 Cb 0.23 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1g5w h SER 22 CO -0.21 0.69 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.57 1g5w h LEU 23 N 1.14 0.00 -0.19 2.23 3.38 -1.35 -3.47 115.31 117.05 1g5w h LEU 23 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1g5w h LEU 23 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1g5w h LEU 23 CO -0.07 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1g5w n GLY 24 N -0.67 0.75 2.78 0.83 0.00 -1.08 -5.12 105.19 102.68 1g5w n GLY 24 Ca -0.02 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.99 -0.21 0.00 1.61 1.01 -1.03 -5.01 120.40 114.78 1g5w s VAL 25 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1g5w s VAL 25 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1g5w s VAL 25 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1g5w n GLY 26 N 5.30 -0.21 3.76 4.51 0.00 -1.26 -4.24 105.19 113.06 1g5w n GLY 26 Ca -0.04 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 1g5w n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1g5w s PHE 27 N 0.12 2.56 0.00 1.61 -0.71 -1.26 -3.34 117.98 116.97 1g5w s PHE 27 Ca 0.00 1.51 0.00 0.00 -1.04 0.00 0.00 56.93 57.40 1g5w s PHE 27 Cb 0.00 -3.06 0.00 0.00 -1.21 0.00 0.00 43.02 38.75 1g5w s PHE 27 CO 0.00 -1.86 0.00 0.00 -1.34 0.00 0.00 175.22 172.02 1g5w n ALA 28 N -3.56 0.00 -0.04 1.99 0.00 -1.26 -4.54 120.51 113.11 1g5w n ALA 28 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 1g5w n ALA 28 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.02 1g5w n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1g5w h THR 29 N 0.00 1.30 -0.59 0.00 2.02 -1.98 -1.36 112.91 112.30 1g5w h THR 29 Ca 0.00 -1.68 0.04 0.00 0.77 0.00 0.00 66.41 65.54 1g5w h THR 29 Cb 0.00 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1g5w h THR 29 CO 0.00 0.54 0.34 0.03 0.37 0.00 0.00 175.52 176.80 1g5w h ARG 30 N 0.55 0.64 0.16 6.66 3.08 -1.79 -2.64 114.38 121.04 1g5w h ARG 30 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1g5w h ARG 30 Cb 1.03 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1g5w h ARG 30 CO 0.10 0.43 -0.08 0.37 -1.07 0.00 0.00 179.97 179.72 1g5w h GLN 31 N 0.66 -0.21 -0.57 0.04 -0.00 -1.87 -3.09 115.11 110.08 1g5w h GLN 31 Ca 0.25 0.01 -0.10 0.00 -0.00 0.00 0.00 58.65 58.82 1g5w h GLN 31 Cb 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.59 1g5w h GLN 31 CO -0.13 0.17 -0.02 0.28 0.00 0.00 0.00 178.83 179.13 1g5w h VAL 32 N -0.65 1.27 0.00 2.39 2.07 -1.36 -2.65 116.25 117.31 1g5w h VAL 32 Ca -0.02 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 1g5w h VAL 32 Cb 0.48 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1g5w h VAL 32 CO 0.04 0.41 -0.39 0.00 0.02 0.00 0.00 177.57 177.66 1g5w h ALA 33 N 0.96 1.05 -0.12 1.67 0.00 -1.62 -0.89 119.26 120.32 1g5w h ALA 33 Ca 0.16 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1g5w h ALA 33 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1g5w h ALA 33 CO 0.03 0.48 -0.08 0.66 0.00 0.00 0.00 179.25 180.35 1g5w h SER 34 N 0.00 0.27 -0.85 0.00 4.64 -1.55 -3.35 113.55 112.71 1g5w h SER 34 Ca -0.00 -0.44 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1g5w h SER 34 Cb 0.86 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.83 1g5w h SER 34 CO 0.05 0.65 0.44 -0.03 -0.87 0.00 0.00 176.83 177.07 1g5w h MET 35 N -0.11 1.21 -7.03 4.77 -1.53 -1.46 -3.46 114.93 107.32 1g5w h MET 35 Ca 0.02 -0.16 -0.52 0.00 -3.44 0.00 0.00 59.70 55.61 1g5w h MET 35 Cb 0.56 -0.23 0.08 0.00 -0.55 0.00 0.00 31.60 31.47 1g5w h MET 35 CO 0.02 0.90 0.51 0.99 0.14 0.00 0.00 176.91 179.47 1g5w s THR 36 N -5.75 2.84 -0.51 -0.77 2.01 -0.34 -5.04 115.64 108.08 1g5w s THR 36 Ca -0.12 0.61 -0.14 0.00 0.31 0.00 0.00 61.69 62.35 1g5w s THR 36 Cb 0.17 -3.30 0.12 0.00 0.01 0.00 0.00 72.50 69.50 1g5w s THR 36 CO 0.83 -0.03 0.44 -0.54 -0.69 0.00 0.00 174.62 174.63 1g5w s LYS 37 N -2.84 2.82 -0.61 4.92 3.01 -1.26 -4.94 119.74 120.84 1g5w s LYS 37 Ca 0.67 -1.70 -0.28 0.00 -1.01 0.00 0.00 55.97 53.65 1g5w s LYS 37 Cb -0.31 -4.17 0.03 0.00 -1.01 0.00 0.00 37.83 32.37 1g5w s LYS 37 CO 0.37 -1.27 1.27 -1.25 0.51 0.00 0.00 175.35 174.98 1g5w s PRO 38 N 1.53 3.38 -0.52 -1.68 0.04 -1.26 -4.78 135.00 131.70 1g5w s PRO 38 Ca 0.04 0.18 -0.29 0.00 0.04 0.00 0.00 61.00 60.97 1g5w s PRO 38 Cb -0.28 -4.08 0.03 0.00 0.04 0.00 0.00 34.50 30.21 1g5w s PRO 38 CO 0.02 -1.86 1.16 0.99 0.04 0.00 0.00 177.00 177.35 1g5w s THR 39 N 5.42 4.13 -0.44 1.26 2.01 -0.60 -4.61 115.64 122.80 1g5w s THR 39 Ca 0.43 1.07 -0.21 0.00 0.31 0.00 0.00 61.69 63.29 1g5w s THR 39 Cb -0.08 -4.66 0.03 0.00 0.01 0.00 0.00 72.50 67.80 1g5w s THR 39 CO 0.23 -1.15 0.67 -0.89 -0.69 0.00 0.00 174.62 172.78 1g5w s THR 40 N 4.66 4.80 -0.41 -0.82 2.01 -0.53 -1.61 115.64 123.74 1g5w s THR 40 Ca 0.45 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.44 1g5w s THR 40 Cb -0.07 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.23 1g5w s THR 40 CO 0.29 -0.63 0.30 -0.63 -0.69 0.00 0.00 174.62 173.26 1g5w s ILE 41 N 2.89 5.17 -0.28 1.82 1.01 -0.41 -1.67 121.20 129.74 1g5w s ILE 41 Ca 0.23 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 1g5w s ILE 41 Cb -0.14 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 1g5w s ILE 41 CO 0.19 -0.34 0.11 -0.63 0.00 0.00 0.00 174.94 174.28 1g5w s ILE 42 N 1.66 4.53 -0.09 2.92 1.01 -0.70 -1.61 121.20 128.92 1g5w s ILE 42 Ca 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 1g5w s ILE 42 Cb -0.20 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.11 1g5w s ILE 42 CO 0.09 0.22 0.04 -0.70 0.00 0.00 0.00 174.94 174.60 1g5w s GLU 43 N 1.63 0.27 -0.33 2.79 -6.30 -0.96 -2.14 118.70 113.66 1g5w s GLU 43 Ca 0.06 0.12 -0.20 0.00 -2.50 0.00 0.00 54.97 52.45 1g5w s GLU 43 Cb -0.16 -1.07 -0.01 0.00 0.00 0.00 0.00 34.13 32.89 1g5w s GLU 43 CO 0.05 -0.41 0.59 0.21 0.02 0.00 0.00 175.26 175.72 1g5w s LYS 44 N 2.06 3.79 -0.04 4.30 2.20 -1.26 -1.62 119.74 129.16 1g5w s LYS 44 Ca 0.04 0.12 -0.26 0.00 -0.36 0.00 0.00 55.97 55.51 1g5w s LYS 44 Cb -0.13 -3.76 -0.21 0.00 -1.51 0.00 0.00 37.83 32.22 1g5w s LYS 44 CO -0.05 -0.61 1.15 -0.97 -0.36 0.00 0.00 175.35 174.50 1g5w h ASN 45 N 8.32 -0.03 0.00 1.43 -0.73 -1.82 -3.50 115.58 119.26 1g5w h ASN 45 Ca -0.27 -0.55 0.00 0.00 1.87 0.00 0.00 56.30 57.35 1g5w h ASN 45 Cb 1.12 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.72 1g5w h ASN 45 CO 0.80 0.55 0.00 0.61 -0.37 0.00 0.00 177.43 179.01 1g5w n GLY 46 N 0.47 -2.16 0.22 1.57 0.00 -1.26 -4.94 105.19 99.09 1g5w n GLY 46 Ca -0.09 0.72 -0.13 0.00 0.00 0.00 0.00 46.02 46.53 1g5w n GLY 46 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1g5w h ASP 47 N 0.00 0.75 -3.53 1.61 -0.00 -1.96 -3.45 116.42 109.84 1g5w h ASP 47 Ca 0.00 -0.44 -0.61 0.00 -0.00 0.00 0.00 57.03 55.98 1g5w h ASP 47 Cb 0.00 -0.22 -0.12 0.00 -0.00 0.00 0.00 39.33 38.99 1g5w h ASP 47 CO 0.00 1.20 0.06 -0.63 -0.00 0.00 0.00 179.24 179.87 1g5w s ILE 48 N -3.90 5.03 -0.14 2.25 -1.09 -1.26 -4.44 121.20 117.65 1g5w s ILE 48 Ca -0.08 1.00 -0.23 0.00 -2.23 0.00 0.00 60.65 59.10 1g5w s ILE 48 Cb 0.10 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1g5w s ILE 48 CO 0.87 0.07 0.73 -0.76 -1.23 0.00 0.00 174.94 174.62 1g5w s LEU 49 N 2.34 4.22 -0.36 2.97 1.43 -0.54 -2.02 118.68 126.71 1g5w s LEU 49 Ca 0.24 1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 54.41 1g5w s LEU 49 Cb -0.16 -3.09 0.09 0.00 0.03 0.00 0.00 46.19 43.06 1g5w s LEU 49 CO 0.09 -0.27 0.12 -0.89 0.23 0.00 0.00 176.35 175.64 1g5w s THR 50 N 1.60 3.15 -0.41 5.49 2.01 -0.64 -1.50 115.64 125.34 1g5w s THR 50 Ca 0.36 -1.81 -0.13 0.00 0.31 0.00 0.00 61.69 60.42 1g5w s THR 50 Cb -0.17 -3.04 0.04 0.00 0.01 0.00 0.00 72.50 69.34 1g5w s THR 50 CO 0.14 -0.47 0.28 -0.22 -0.69 0.00 0.00 174.62 173.66 1g5w s LEU 51 N 1.18 5.06 -0.35 4.42 0.20 -0.78 -2.26 118.68 126.15 1g5w s LEU 51 Ca 0.04 -1.09 -0.10 0.00 0.69 0.00 0.00 54.13 53.66 1g5w s LEU 51 Cb -0.21 -2.09 0.02 0.00 -0.43 0.00 0.00 46.19 43.47 1g5w s LEU 51 CO -0.03 -0.47 0.18 -0.54 -0.29 0.00 0.00 176.35 175.20 1g5w s LYS 52 N 1.59 2.96 -0.56 1.98 1.02 -0.63 -2.27 119.74 123.84 1g5w s LYS 52 Ca 0.03 -0.98 -0.17 0.00 0.02 0.00 0.00 55.97 54.88 1g5w s LYS 52 Cb -0.21 -3.66 0.12 0.00 -0.52 0.00 0.00 37.83 33.56 1g5w s LYS 52 CO 0.07 -0.61 0.56 0.99 -0.92 0.00 0.00 175.35 175.44 1g5w s THR 53 N 1.56 5.10 -0.75 2.17 2.01 -0.35 -1.29 115.64 124.09 1g5w s THR 53 Ca 0.03 -1.36 -0.20 0.00 0.31 0.00 0.00 61.69 60.46 1g5w s THR 53 Cb -0.19 -4.38 0.11 0.00 0.01 0.00 0.00 72.50 68.05 1g5w s THR 53 CO 0.06 -0.94 0.96 -1.00 -0.69 0.00 0.00 174.62 173.01 1g5w s HIS 54 N 1.90 2.95 0.10 4.92 3.76 -0.63 -2.42 115.29 125.87 1g5w s HIS 54 Ca 0.05 -1.00 0.05 0.00 -0.15 0.00 0.00 55.06 54.02 1g5w s HIS 54 Cb -0.28 -4.21 -0.04 0.00 1.11 0.00 0.00 32.58 29.15 1g5w s HIS 54 CO 0.04 -1.49 -0.01 0.45 -0.85 0.00 0.00 174.74 172.87 1g5w s SER 55 N 3.60 4.92 0.61 1.40 0.15 -1.25 -1.56 113.70 121.57 1g5w s SER 55 Ca 0.24 -0.23 0.30 0.00 0.70 0.00 0.00 55.95 56.96 1g5w s SER 55 Cb -0.14 -1.13 1.66 0.00 -1.71 0.00 0.00 66.02 64.70 1g5w s SER 55 CO 0.01 0.17 2.03 0.74 1.20 0.00 0.00 173.24 177.39 1g5w h THR 56 N 2.88 0.30 0.05 6.45 2.02 -1.96 -3.23 112.91 119.43 1g5w h THR 56 Ca -0.48 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1g5w h THR 56 Cb 1.17 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1g5w h THR 56 CO 0.58 0.00 -0.02 0.15 0.37 0.00 0.00 175.52 176.60 1g5w h PHE 57 N 0.00 -0.06 -2.51 3.16 3.57 -1.95 -3.49 116.94 115.66 1g5w h PHE 57 Ca 0.09 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1g5w h PHE 57 Cb 0.67 0.02 -0.22 0.00 2.79 0.00 0.00 35.95 39.21 1g5w h PHE 57 CO 0.00 -0.04 -0.10 0.21 -2.23 0.00 0.00 178.31 176.15 1g5w s LYS 58 N -1.61 0.66 -0.44 1.11 2.20 -1.22 -5.13 119.74 115.32 1g5w s LYS 58 Ca -0.01 0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 55.87 1g5w s LYS 58 Cb 0.00 0.32 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1g5w s LYS 58 CO 0.03 -0.12 0.95 -0.80 -0.36 0.00 0.00 175.35 175.05 1g5w s ASN 59 N -0.14 6.57 -0.15 1.43 0.01 -1.26 -3.80 114.94 117.59 1g5w s ASN 59 Ca -0.03 0.30 -0.05 0.00 -0.71 0.00 0.00 52.86 52.36 1g5w s ASN 59 Cb -0.03 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1g5w s ASN 59 CO 0.02 -1.02 0.03 0.42 -1.51 0.00 0.00 177.10 175.04 1g5w s THR 60 N 3.76 4.49 -0.18 1.60 -4.23 -1.02 -4.98 115.64 115.08 1g5w s THR 60 Ca 0.39 -0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 1g5w s THR 60 Cb -0.10 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.78 1g5w s THR 60 CO 0.25 0.51 -0.17 -0.70 -0.54 0.00 0.00 174.62 173.97 1g5w s GLU 61 N 0.05 2.65 -0.15 3.99 -6.30 -1.26 -1.21 118.70 116.47 1g5w s GLU 61 Ca 0.04 -0.83 -0.03 0.00 -2.50 0.00 0.00 54.97 51.65 1g5w s GLU 61 Cb -0.13 -2.49 -0.02 0.00 0.00 0.00 0.00 34.13 31.49 1g5w s GLU 61 CO 0.01 -0.28 -0.06 0.96 0.02 0.00 0.00 175.26 175.92 1g5w s ILE 62 N 1.32 3.67 -0.25 -3.70 -4.36 -0.96 -5.01 121.20 111.91 1g5w s ILE 62 Ca 0.03 -0.43 -0.01 0.00 -0.26 0.00 0.00 60.65 59.97 1g5w s ILE 62 Cb -0.14 -2.60 0.03 0.00 1.25 0.00 0.00 42.46 41.00 1g5w s ILE 62 CO -0.11 0.50 -0.06 -0.94 0.24 0.00 0.00 174.94 174.56 1g5w s SER 63 N 0.40 4.35 -0.01 4.36 1.04 -1.26 -1.86 113.70 120.72 1g5w s SER 63 Ca -0.05 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.37 1g5w s SER 63 Cb -0.15 -1.65 -0.00 0.00 0.10 0.00 0.00 66.02 64.32 1g5w s SER 63 CO 0.03 -0.15 0.08 0.72 0.98 0.00 0.00 173.24 174.91 1g5w s PHE 64 N 1.29 0.05 -0.24 5.02 -0.71 -0.56 -4.97 117.98 117.86 1g5w s PHE 64 Ca -0.01 -0.11 0.11 0.00 -1.04 0.00 0.00 56.93 55.88 1g5w s PHE 64 Cb -0.17 -0.06 0.46 0.00 -1.21 0.00 0.00 43.02 42.04 1g5w s PHE 64 CO -0.04 -0.18 1.36 1.63 -1.34 0.00 0.00 175.22 176.65 1g5w n LYS 65 N 2.03 1.81 -3.04 1.99 5.02 -1.26 -1.46 118.16 123.25 1g5w n LYS 65 Ca -0.20 -3.14 -0.14 0.00 -2.02 0.00 0.00 58.31 52.81 1g5w n LYS 65 Cb 0.57 -1.73 0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1g5w n LYS 65 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1g5w n LEU 66 N -1.10 -6.12 0.00 -0.35 4.32 -1.24 -4.67 117.00 107.84 1g5w n LEU 66 Ca 0.26 0.50 0.00 0.00 -0.02 0.00 0.00 56.01 56.75 1g5w n LEU 66 Cb 0.89 -2.75 0.00 0.00 -1.62 0.00 0.00 43.42 39.94 1g5w n LEU 66 CO 0.10 -1.81 0.00 0.61 -1.22 0.00 0.00 177.39 175.07 1g5w n GLY 67 N 0.06 1.08 2.75 -0.72 0.00 -0.49 -4.90 105.19 102.97 1g5w n GLY 67 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 -0.04 -0.11 1.61 1.01 -1.26 -5.03 120.40 114.57 1g5w s VAL 68 Ca 0.00 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 1g5w s VAL 68 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 1g5w s VAL 68 CO 0.00 0.12 0.60 -0.70 0.00 0.00 0.00 175.10 175.12 1g5w s GLU 69 N 1.34 4.36 -0.04 2.72 2.12 -1.26 -4.09 118.70 123.85 1g5w s GLU 69 Ca -0.06 0.67 -0.01 0.00 0.36 0.00 0.00 54.97 55.93 1g5w s GLU 69 Cb -0.13 -3.46 0.03 0.00 0.26 0.00 0.00 34.13 30.83 1g5w s GLU 69 CO -0.03 0.05 0.04 -0.59 -0.54 0.00 0.00 175.26 174.19 1g5w s PHE 70 N 0.91 0.20 -0.31 5.30 -0.71 -0.95 -4.89 117.98 117.53 1g5w s PHE 70 Ca 0.32 0.13 -0.29 0.00 -1.04 0.00 0.00 56.93 56.05 1g5w s PHE 70 Cb -0.16 -0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 41.15 1g5w s PHE 70 CO 0.14 -0.19 1.51 0.16 -1.34 0.00 0.00 175.22 175.50 1g5w s ASP 71 N 1.78 6.36 -0.08 1.98 1.47 -1.26 -1.40 116.67 125.53 1g5w s ASP 71 Ca 0.00 1.25 0.03 0.00 1.18 0.00 0.00 52.55 55.02 1g5w s ASP 71 Cb -0.12 -2.54 -0.02 0.00 -0.34 0.00 0.00 42.92 39.90 1g5w s ASP 71 CO -0.03 -1.33 -0.16 -0.70 0.68 0.00 0.00 175.17 173.63 1g5w s GLU 72 N 4.77 2.79 -0.20 2.11 2.56 -0.58 -4.87 118.70 125.28 1g5w s GLU 72 Ca 0.66 -0.74 -0.23 0.00 0.00 0.00 0.00 54.97 54.67 1g5w s GLU 72 Cb -0.19 -2.41 -0.02 0.00 2.00 0.00 0.00 34.13 33.51 1g5w s GLU 72 CO 0.29 0.45 0.73 0.99 -0.56 0.00 0.00 175.26 177.16 1g5w s THR 73 N -0.28 4.94 0.91 -1.70 2.01 -1.26 -2.01 115.64 118.26 1g5w s THR 73 Ca 0.01 1.39 -0.13 0.00 0.31 0.00 0.00 61.69 63.28 1g5w s THR 73 Cb -0.13 -4.03 0.18 0.00 0.01 0.00 0.00 72.50 68.53 1g5w s THR 73 CO 0.03 0.05 1.25 0.42 -0.69 0.00 0.00 174.62 175.68 1g5w s THR 74 N 2.17 2.03 0.38 -0.82 -4.23 -1.06 -4.86 115.64 109.25 1g5w s THR 74 Ca 0.33 -0.12 0.10 0.00 -1.18 0.00 0.00 61.69 60.81 1g5w s THR 74 Cb -0.16 -2.91 0.32 0.00 1.34 0.00 0.00 72.50 71.09 1g5w s THR 74 CO 0.10 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.12 1g5w h ALA 75 N -1.40 1.86 -0.39 3.99 0.00 -1.94 -2.52 119.26 118.86 1g5w h ALA 75 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1g5w h ALA 75 Cb 1.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1g5w h ALA 75 CO 0.39 -0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 1g5w n ASP 76 N -4.50 3.57 -2.64 0.00 9.92 -1.26 -4.90 116.55 116.73 1g5w n ASP 76 Ca 0.13 -2.42 -0.07 0.00 -0.53 0.00 0.00 54.79 51.90 1g5w n ASP 76 Cb 0.37 -0.53 0.01 0.00 -0.64 0.00 0.00 41.12 40.32 1g5w n ASP 76 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1g5w n ASP 77 N 0.53 -7.07 -3.70 -2.24 8.00 -0.95 -5.09 116.55 106.02 1g5w n ASP 77 Ca 0.17 0.47 -0.13 0.00 0.71 0.00 0.00 54.79 56.01 1g5w n ASP 77 Cb 0.72 -4.74 -0.13 0.00 -0.02 0.00 0.00 41.12 36.94 1g5w n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1g5w s ARG 78 N -2.35 0.16 -0.08 -1.24 3.52 -1.26 -4.88 118.95 112.82 1g5w s ARG 78 Ca 0.21 0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 56.10 1g5w s ARG 78 Cb -0.06 -0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.17 1g5w s ARG 78 CO 0.65 -0.21 1.51 -1.59 -0.81 0.00 0.00 175.30 174.85 1g5w s LYS 79 N 1.69 4.21 -0.05 5.12 0.00 -1.26 -2.55 119.74 126.90 1g5w s LYS 79 Ca -0.05 2.01 -0.02 0.00 0.00 0.00 0.00 55.97 57.92 1g5w s LYS 79 Cb -0.11 -3.88 0.03 0.00 0.00 0.00 0.00 37.83 33.87 1g5w s LYS 79 CO -0.08 -0.78 0.04 0.14 0.00 0.00 0.00 175.35 174.67 1g5w s VAL 80 N 3.72 0.04 -0.59 1.79 -7.23 -0.85 -4.73 120.40 112.54 1g5w s VAL 80 Ca 0.67 0.31 -0.28 0.00 -1.81 0.00 0.00 61.98 60.87 1g5w s VAL 80 Cb -0.30 -0.25 0.02 0.00 0.56 0.00 0.00 36.38 36.41 1g5w s VAL 80 CO 0.25 0.19 1.40 -0.54 -0.31 0.00 0.00 175.10 176.09 1g5w s LYS 81 N 1.96 3.26 -0.65 4.82 3.01 -0.59 -1.53 119.74 130.02 1g5w s LYS 81 Ca 0.03 0.35 -0.16 0.00 -1.01 0.00 0.00 55.97 55.18 1g5w s LYS 81 Cb -0.12 -4.14 0.16 0.00 -1.01 0.00 0.00 37.83 32.71 1g5w s LYS 81 CO -0.03 -2.00 0.64 -1.12 0.51 0.00 0.00 175.35 173.35 1g5w s SER 82 N 4.43 6.39 -0.38 2.83 0.01 -0.50 -2.54 113.70 123.94 1g5w s SER 82 Ca 0.50 -2.05 -0.09 0.00 1.31 0.00 0.00 55.95 55.62 1g5w s SER 82 Cb -0.10 -2.23 0.05 0.00 0.21 0.00 0.00 66.02 63.95 1g5w s SER 82 CO 0.23 -0.81 0.20 -0.51 0.41 0.00 0.00 173.24 172.77 1g5w s ILE 83 N 1.31 4.27 -0.12 1.44 -1.16 -0.51 -2.24 121.20 124.19 1g5w s ILE 83 Ca 0.10 -1.11 0.03 0.00 -0.51 0.00 0.00 60.65 59.16 1g5w s ILE 83 Cb -0.22 -3.47 0.01 0.00 0.61 0.00 0.00 42.46 39.39 1g5w s ILE 83 CO -0.01 -0.32 -0.20 0.54 -2.81 0.00 0.00 174.94 172.14 1g5w s VAL 84 N 1.47 1.86 0.02 4.00 0.11 -1.26 -1.57 120.40 125.03 1g5w s VAL 84 Ca 0.01 -0.87 -0.09 0.00 -2.93 0.00 0.00 61.98 58.10 1g5w s VAL 84 Cb -0.21 -1.65 0.01 0.00 -1.53 0.00 0.00 36.38 33.00 1g5w s VAL 84 CO 0.04 0.51 0.19 0.28 -3.33 0.00 0.00 175.10 172.79 1g5w s THR 85 N 0.72 0.09 -0.59 5.04 -1.32 -0.97 -1.39 115.64 117.22 1g5w s THR 85 Ca -0.11 -0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 59.39 1g5w s THR 85 Cb -0.16 -0.68 0.05 0.00 -1.51 0.00 0.00 72.50 70.21 1g5w s THR 85 CO 0.01 -0.41 0.92 -0.22 -2.21 0.00 0.00 174.62 172.71 1g5w s LEU 86 N -1.69 4.29 -0.63 9.08 2.96 -1.26 -1.41 118.68 130.02 1g5w s LEU 86 Ca -0.10 -0.65 -0.08 0.00 -0.22 0.00 0.00 54.13 53.07 1g5w s LEU 86 Cb -0.04 -2.63 0.16 0.00 0.50 0.00 0.00 46.19 44.18 1g5w s LEU 86 CO -0.00 -1.28 0.50 -0.62 -1.32 0.00 0.00 176.35 173.63 1g5w s ASP 87 N 3.16 5.83 -1.23 3.68 2.15 -0.33 -4.73 116.67 125.20 1g5w s ASP 87 Ca 0.26 -2.49 -0.01 0.00 0.43 0.00 0.00 52.55 50.73 1g5w s ASP 87 Cb -0.15 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1g5w s ASP 87 CO 0.15 -0.54 0.98 0.61 -0.17 0.00 0.00 175.17 176.21 1g5w n GLY 88 N 4.10 -0.37 1.68 2.66 0.00 -1.26 -2.93 105.19 109.08 1g5w n GLY 88 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.25 2.37 3.66 -0.02 0.00 -1.26 -5.04 105.19 103.64 1g5w n GLY 89 Ca -0.26 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1g5w n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g5w s LYS 90 N 0.00 4.24 -0.80 1.61 3.01 -1.15 -4.80 119.74 121.85 1g5w s LYS 90 Ca 0.00 0.90 -0.22 0.00 -1.01 0.00 0.00 55.97 55.63 1g5w s LYS 90 Cb 0.00 -3.60 0.08 0.00 -1.01 0.00 0.00 37.83 33.30 1g5w s LYS 90 CO 0.00 -0.37 1.13 -1.17 0.51 0.00 0.00 175.35 175.45 1g5w s LEU 91 N 2.33 4.24 -0.45 3.17 0.20 -0.38 -1.19 118.68 126.61 1g5w s LEU 91 Ca 0.35 -1.25 -0.17 0.00 0.69 0.00 0.00 54.13 53.75 1g5w s LEU 91 Cb -0.16 -2.46 0.04 0.00 -0.43 0.00 0.00 46.19 43.18 1g5w s LEU 91 CO 0.10 -1.42 0.44 -0.69 -0.29 0.00 0.00 176.35 174.49 1g5w s VAL 92 N 4.10 5.11 -0.41 1.68 1.01 -0.50 -1.80 120.40 129.59 1g5w s VAL 92 Ca 0.30 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1g5w s VAL 92 Cb -0.10 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.23 1g5w s VAL 92 CO 0.03 -0.51 0.29 -2.28 0.00 0.00 0.00 175.10 172.63 1g5w s HIS 93 N 2.03 3.25 -0.33 5.22 5.04 -1.05 -2.29 115.29 127.16 1g5w s HIS 93 Ca 0.10 -0.85 -0.14 0.00 -1.54 0.00 0.00 55.06 52.62 1g5w s HIS 93 Cb -0.19 -2.69 -0.02 0.00 0.04 0.00 0.00 32.58 29.72 1g5w s HIS 93 CO 0.11 -0.67 0.32 -1.17 -2.34 0.00 0.00 174.74 170.98 1g5w s LEU 94 N 1.61 4.37 -0.20 8.88 2.96 -0.61 -0.81 118.68 134.89 1g5w s LEU 94 Ca 0.04 -0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 53.65 1g5w s LEU 94 Cb -0.20 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 1g5w s LEU 94 CO 0.08 -0.27 0.13 -1.10 -1.32 0.00 0.00 176.35 173.87 1g5w s GLN 95 N 1.92 4.16 -0.02 1.98 -0.21 -0.71 -1.43 119.66 125.35 1g5w s GLN 95 Ca 0.10 -0.23 -0.00 0.00 0.02 0.00 0.00 55.36 55.25 1g5w s GLN 95 Cb -0.17 -3.42 0.03 0.00 1.00 0.00 0.00 33.01 30.45 1g5w s GLN 95 CO 0.11 0.27 0.04 -1.59 -2.12 0.00 0.00 175.29 172.00 1g5w s LYS 96 N 0.44 -0.04 -0.23 2.91 -2.85 -1.05 -1.69 119.74 117.22 1g5w s LYS 96 Ca 0.08 0.22 -0.07 0.00 -1.00 0.00 0.00 55.97 55.19 1g5w s LYS 96 Cb -0.11 -0.28 0.11 0.00 -2.06 0.00 0.00 37.83 35.48 1g5w s LYS 96 CO -0.01 -0.19 0.48 1.67 0.10 0.00 0.00 175.35 177.40 1g5w s TRP 97 N 1.23 -0.97 -1.19 1.78 -2.14 -0.36 -1.54 118.94 115.76 1g5w s TRP 97 Ca -0.07 1.71 -0.27 0.00 2.66 0.00 0.00 56.10 60.13 1g5w s TRP 97 Cb -0.13 0.43 0.02 0.00 -3.10 0.00 0.00 33.47 30.69 1g5w s TRP 97 CO -0.03 -0.56 0.72 -3.47 -2.66 0.00 0.00 176.95 170.96 1g5w n ASP 98 N 5.41 -4.57 -2.06 -2.66 2.03 -1.26 -1.78 116.55 111.66 1g5w n ASP 98 Ca -0.09 -1.15 -0.17 0.00 0.52 0.00 0.00 54.79 53.89 1g5w n ASP 98 Cb 0.49 -2.55 -0.00 0.00 -0.72 0.00 0.00 41.12 38.34 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 -1.90 -0.33 3.29 0.27 0.00 -1.26 -5.03 105.19 100.24 1g5w n GLY 99 Ca -0.11 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.98 0.37 -0.02 1.61 -0.21 -0.73 -5.17 119.66 110.52 1g5w s GLN 100 Ca 0.05 0.97 0.00 0.00 0.02 0.00 0.00 55.36 56.41 1g5w s GLN 100 Cb -0.02 0.22 0.02 0.00 1.00 0.00 0.00 33.01 34.23 1g5w s GLN 100 CO 0.06 -0.22 0.00 -1.83 -2.12 0.00 0.00 175.29 171.19 1g5w s GLU 101 N 2.19 0.18 -0.09 2.91 -1.05 -1.26 -1.22 118.70 120.36 1g5w s GLU 101 Ca -0.05 0.07 0.03 0.00 -0.15 0.00 0.00 54.97 54.87 1g5w s GLU 101 Cb -0.11 -0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.23 1g5w s GLU 101 CO -0.13 -0.10 -0.18 -0.08 0.95 0.00 0.00 175.26 175.72 1g5w s THR 102 N 0.76 2.68 -0.19 1.83 -1.32 -0.68 -4.65 115.64 114.07 1g5w s THR 102 Ca -0.07 -0.83 -0.09 0.00 -1.21 0.00 0.00 61.69 59.49 1g5w s THR 102 Cb -0.10 -2.06 -0.05 0.00 -1.51 0.00 0.00 72.50 68.78 1g5w s THR 102 CO -0.02 0.56 0.12 0.42 -2.21 0.00 0.00 174.62 173.49 1g5w s THR 103 N -0.07 5.29 -0.70 5.08 -4.23 -1.02 -1.74 115.64 118.24 1g5w s THR 103 Ca -0.04 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1g5w s THR 103 Cb -0.14 -3.40 0.18 0.00 1.34 0.00 0.00 72.50 70.48 1g5w s THR 103 CO 0.04 0.46 0.54 -0.76 -0.54 0.00 0.00 174.62 174.36 1g5w s LEU 104 N 0.21 5.29 -0.61 4.79 1.02 0.01 -2.29 118.68 127.10 1g5w s LEU 104 Ca 0.08 -3.16 -0.20 0.00 0.02 0.00 0.00 54.13 50.87 1g5w s LEU 104 Cb -0.11 -1.85 0.10 0.00 0.02 0.00 0.00 46.19 44.34 1g5w s LEU 104 CO -0.01 -0.30 0.78 -0.69 0.02 0.00 0.00 176.35 176.15 1g5w s VAL 105 N -0.52 4.68 -0.15 -1.59 1.01 -0.78 -2.52 120.40 120.54 1g5w s VAL 105 Ca 0.20 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 1g5w s VAL 105 Cb -0.16 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.65 1g5w s VAL 105 CO -0.06 -1.22 0.74 -0.13 0.00 0.00 0.00 175.10 174.42 1g5w s ARG 106 N 3.06 4.31 -0.17 2.72 1.81 -0.75 -1.82 118.95 128.12 1g5w s ARG 106 Ca 0.15 0.87 -0.10 0.00 -1.72 0.00 0.00 55.73 54.92 1g5w s ARG 106 Cb -0.22 -3.54 0.06 0.00 -0.45 0.00 0.00 34.95 30.80 1g5w s ARG 106 CO 0.07 -0.20 0.42 -1.83 -0.68 0.00 0.00 175.30 173.08 1g5w s GLU 107 N 1.73 0.42 -0.21 3.54 -1.05 -0.93 -1.25 118.70 120.95 1g5w s GLU 107 Ca 0.35 0.77 -0.29 0.00 -0.15 0.00 0.00 54.97 55.65 1g5w s GLU 107 Cb -0.17 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.55 1g5w s GLU 107 CO 0.13 -0.14 1.10 -0.51 0.95 0.00 0.00 175.26 176.79 1g5w s LEU 108 N 1.21 4.13 -0.26 1.83 2.01 -1.26 -1.47 118.68 124.86 1g5w s LEU 108 Ca -0.08 1.47 -0.00 0.00 0.01 0.00 0.00 54.13 55.53 1g5w s LEU 108 Cb -0.07 -3.54 0.08 0.00 0.01 0.00 0.00 46.19 42.66 1g5w s LEU 108 CO -0.11 -0.69 0.03 -0.63 1.01 0.00 0.00 176.35 175.96 1g5w s ILE 109 N 3.23 1.16 -1.20 -0.59 1.01 -0.76 -4.90 121.20 119.15 1g5w s ILE 109 Ca 0.47 -1.24 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1g5w s ILE 109 Cb -0.17 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 1g5w s ILE 109 CO 0.09 -0.37 0.89 0.47 0.00 0.00 0.00 174.94 176.02 1g5w n ASP 110 N 4.77 -2.78 -0.20 3.58 9.92 -1.26 -2.59 116.55 127.98 1g5w n ASP 110 Ca -0.06 -0.71 -0.03 0.00 -0.53 0.00 0.00 54.79 53.46 1g5w n ASP 110 Cb 0.44 -4.75 -0.01 0.00 -0.64 0.00 0.00 41.12 36.16 1g5w n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1g5w n GLY 111 N -1.30 0.44 3.08 0.44 0.00 -1.26 -5.03 105.19 101.56 1g5w n GLY 111 Ca -0.24 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.60 2.30 -0.50 1.61 1.02 -1.07 -4.69 119.74 116.81 1g5w s LYS 112 Ca 0.00 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.13 1g5w s LYS 112 Cb 0.00 -1.91 0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1g5w s LYS 112 CO 0.00 -0.02 1.00 -1.17 -0.92 0.00 0.00 175.35 174.24 1g5w s LEU 113 N 0.85 3.90 -0.47 3.17 2.96 -0.82 -1.83 118.68 126.45 1g5w s LEU 113 Ca -0.09 0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 53.71 1g5w s LEU 113 Cb -0.15 -3.16 0.05 0.00 0.50 0.00 0.00 46.19 43.43 1g5w s LEU 113 CO 0.00 -1.18 0.47 -0.63 -1.32 0.00 0.00 176.35 173.69 1g5w s ILE 114 N 4.06 5.09 -0.42 6.68 -1.09 -0.54 -1.90 121.20 133.09 1g5w s ILE 114 Ca 0.38 -0.69 -0.25 0.00 -2.23 0.00 0.00 60.65 57.86 1g5w s ILE 114 Cb -0.10 -4.14 0.02 0.00 -1.58 0.00 0.00 42.46 36.66 1g5w s ILE 114 CO 0.25 -0.59 0.87 -0.22 -1.23 0.00 0.00 174.94 174.02 1g5w s LEU 115 N 2.06 4.08 -0.41 2.97 2.96 -0.65 -2.20 118.68 127.48 1g5w s LEU 115 Ca 0.09 0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 54.12 1g5w s LEU 115 Cb -0.21 -3.13 0.07 0.00 0.50 0.00 0.00 46.19 43.43 1g5w s LEU 115 CO 0.10 -0.92 0.26 -0.89 -1.32 0.00 0.00 176.35 173.58 1g5w s THR 116 N 3.47 4.38 -0.52 3.68 2.01 -0.75 -1.69 115.64 126.22 1g5w s THR 116 Ca 0.35 -1.27 -0.15 0.00 0.31 0.00 0.00 61.69 60.93 1g5w s THR 116 Cb -0.11 -3.63 0.12 0.00 0.01 0.00 0.00 72.50 68.89 1g5w s THR 116 CO 0.22 -0.46 0.46 -0.76 -0.69 0.00 0.00 174.62 173.39 1g5w s LEU 117 N 1.47 6.03 -0.19 4.42 1.43 -0.83 -1.87 118.68 129.14 1g5w s LEU 117 Ca 0.03 -1.76 -0.01 0.00 -1.03 0.00 0.00 54.13 51.36 1g5w s LEU 117 Cb -0.22 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1g5w s LEU 117 CO 0.03 -0.80 -0.13 -0.89 0.23 0.00 0.00 176.35 174.79 1g5w s THR 118 N 1.56 2.65 0.00 5.49 2.01 -0.97 -1.62 115.64 124.76 1g5w s THR 118 Ca 0.04 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1g5w s THR 118 Cb -0.29 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.07 1g5w s THR 118 CO 0.03 0.49 0.00 1.57 -0.69 0.00 0.00 174.62 176.02 1g5w n HIS 119 N 4.57 0.00 -3.68 4.92 -0.00 -1.25 -2.43 115.22 117.35 1g5w n HIS 119 Ca -0.20 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.15 1g5w n HIS 119 Cb 0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.41 1g5w n HIS 119 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1g5w s GLY 120 N 0.00 2.40 -1.64 1.57 0.00 -1.26 -4.73 107.32 103.66 1g5w s GLY 120 Ca 0.00 -3.10 -0.17 0.00 0.00 0.00 0.00 44.72 41.46 1g5w s GLY 120 CO 0.00 1.10 0.85 -0.37 0.00 0.00 0.00 173.10 174.69 1g5w n THR 121 N 3.82 -1.43 -3.26 0.90 5.66 -1.26 -4.91 114.28 113.81 1g5w n THR 121 Ca 0.05 -0.02 -0.05 0.00 -3.05 0.00 0.00 64.05 60.99 1g5w n THR 121 Cb 0.39 -2.11 -0.03 0.00 -1.55 0.00 0.00 70.33 67.03 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 -3.31 -1.67 -0.23 1.79 0.00 -1.26 -5.01 121.76 112.07 1g5w s ALA 122 Ca 0.70 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 1g5w s ALA 122 Cb -0.37 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 1g5w s ALA 122 CO 0.89 -2.05 0.63 0.54 0.00 0.00 0.00 175.76 175.78 1g5w s VAL 123 N 2.04 4.99 -0.25 0.00 0.11 -1.26 -3.81 120.40 122.22 1g5w s VAL 123 Ca 0.14 1.16 -0.08 0.00 -2.93 0.00 0.00 61.98 60.27 1g5w s VAL 123 Cb -0.09 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.78 1g5w s VAL 123 CO -0.14 0.06 0.08 0.00 -3.33 0.00 0.00 175.10 171.77 1g5w s THR 125 N 1.58 4.60 -0.48 0.00 2.01 -1.08 -1.96 115.64 120.31 1g5w s THR 125 Ca 0.06 0.59 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 1g5w s THR 125 Cb -0.15 -4.34 0.13 0.00 0.01 0.00 0.00 72.50 68.14 1g5w s THR 125 CO 0.04 -0.72 0.25 -0.13 -0.69 0.00 0.00 174.62 173.38 1g5w s ARG 126 N 3.42 2.07 0.26 4.92 1.81 -0.68 -2.76 118.95 127.99 1g5w s ARG 126 Ca 0.32 -2.15 -0.24 0.00 -1.72 0.00 0.00 55.73 51.95 1g5w s ARG 126 Cb -0.12 -3.53 -0.09 0.00 -0.45 0.00 0.00 34.95 30.77 1g5w s ARG 126 CO 0.23 -1.09 0.84 0.99 -0.68 0.00 0.00 175.30 175.59 1g5w s THR 127 N 0.55 4.36 -0.07 0.02 2.01 -1.20 -1.64 115.64 119.68 1g5w s THR 127 Ca 0.12 1.62 0.01 0.00 0.31 0.00 0.00 61.69 63.76 1g5w s THR 127 Cb -0.22 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.32 1g5w s THR 127 CO -0.04 0.24 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.75 1g5w s TYR 128 N -1.49 1.15 0.26 4.92 1.51 -0.80 -1.07 117.35 121.84 1g5w s TYR 128 Ca 0.45 -0.43 -0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1g5w s TYR 128 Cb -0.19 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1g5w s TYR 128 CO 0.24 -0.29 0.46 -1.21 -1.11 0.00 0.00 175.55 173.64 1g5w s GLU 129 N 1.00 3.52 -0.36 -0.62 0.41 -1.14 -1.94 118.70 119.58 1g5w s GLU 129 Ca -0.09 -0.34 -0.21 0.00 -0.41 0.00 0.00 54.97 53.93 1g5w s GLU 129 Cb -0.15 -2.76 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 1g5w s GLU 129 CO -0.00 0.30 0.65 0.21 -0.49 0.00 0.00 175.26 175.93 1g5w s LYS 130 N -3.74 3.67 0.18 1.61 2.20 -1.26 -2.50 119.74 119.90 1g5w s LYS 130 Ca 0.39 0.07 0.01 0.00 -0.36 0.00 0.00 55.97 56.08 1g5w s LYS 130 Cb -0.10 -3.81 0.07 0.00 -1.51 0.00 0.00 37.83 32.47 1g5w s LYS 130 CO 0.31 -0.76 1.43 1.49 -0.36 0.00 0.00 175.35 177.47 1g5w h GLU 131 N 8.48 0.31 0.00 4.03 4.57 -1.40 -3.48 114.58 127.09 1g5w h GLU 131 Ca -0.26 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 1g5w h GLU 131 Cb 1.11 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1g5w h GLU 131 CO 0.85 0.94 0.00 0.00 -1.18 0.00 0.00 179.01 179.61