#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g74 h ASP 2 N 0.00 0.00 0.91 0.00 3.32 -2.01 0.31 116.42 118.96 1g74 h ASP 2 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1g74 h ASP 2 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1g74 h ASP 2 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1g74 h ALA 3 N 1.74 1.00 0.00 3.45 0.00 -2.02 -2.69 119.26 120.74 1g74 h ALA 3 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1g74 h ALA 3 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1g74 h ALA 3 CO -0.00 0.00 -1.15 1.19 0.00 0.00 0.00 179.25 179.29 1g74 n PHE 4 N -2.69 0.88 -1.69 0.00 3.72 0.11 -4.95 117.46 112.84 1g74 n PHE 4 Ca 0.01 0.26 -0.44 0.00 -0.05 0.00 0.00 57.45 57.23 1g74 n PHE 4 Cb 0.28 -0.93 -0.03 0.00 -0.94 0.00 0.00 39.48 37.86 1g74 n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1g74 n VAL 5 N -2.66 0.78 0.00 -4.37 0.31 -1.02 -4.56 118.33 106.81 1g74 n VAL 5 Ca -0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1g74 n VAL 5 Cb 0.59 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1g74 n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1g74 n GLY 6 N 2.43 0.90 3.54 2.92 0.00 -0.07 -4.96 105.19 109.95 1g74 n GLY 6 Ca 0.12 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1g74 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g74 s THR 7 N -1.19 4.04 0.14 2.61 2.01 -1.26 -1.13 115.64 120.85 1g74 s THR 7 Ca 0.00 -0.31 0.10 0.00 0.31 0.00 0.00 61.69 61.79 1g74 s THR 7 Cb 0.00 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1g74 s THR 7 CO 0.00 0.51 -0.25 0.26 -0.69 0.00 0.00 174.62 174.45 1g74 s TRP 8 N 0.15 2.16 -0.07 4.92 0.52 0.12 -0.57 118.94 126.16 1g74 s TRP 8 Ca -0.00 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.76 1g74 s TRP 8 Cb -0.13 -1.15 0.00 0.00 -1.15 0.00 0.00 33.47 31.04 1g74 s TRP 8 CO 0.02 0.34 -0.18 0.21 0.02 0.00 0.00 176.95 177.36 1g74 s LYS 9 N -2.17 2.19 0.22 4.98 2.36 0.76 -0.64 119.74 127.44 1g74 s LYS 9 Ca 0.14 -0.65 -0.31 0.00 -2.55 0.00 0.00 55.97 52.59 1g74 s LYS 9 Cb -0.09 -1.78 -0.11 0.00 -1.05 0.00 0.00 37.83 34.80 1g74 s LYS 9 CO 0.06 0.17 1.59 -1.17 1.55 0.00 0.00 175.35 177.56 1g74 s LEU 10 N 0.30 4.37 -0.00 5.43 2.96 -1.04 -1.35 118.68 129.34 1g74 s LEU 10 Ca -0.11 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 1g74 s LEU 10 Cb -0.15 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1g74 s LEU 10 CO 0.05 -0.86 0.01 1.33 -1.32 0.00 0.00 176.35 175.55 1g74 n VAL 11 N 3.27 0.01 -3.57 1.68 0.24 0.05 -4.91 118.33 115.10 1g74 n VAL 11 Ca 0.12 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.34 62.24 1g74 n VAL 11 Cb 0.38 -0.04 -0.07 0.00 -1.47 0.00 0.00 33.84 32.64 1g74 n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1g74 s SER 12 N -2.40 -0.65 -0.00 -1.34 1.04 -1.14 -5.00 113.70 104.20 1g74 s SER 12 Ca -0.00 0.90 0.01 0.00 0.48 0.00 0.00 55.95 57.34 1g74 s SER 12 Cb 0.00 0.81 -0.00 0.00 0.10 0.00 0.00 66.02 66.93 1g74 s SER 12 CO 0.01 -0.48 -0.05 -0.55 0.98 0.00 0.00 173.24 173.16 1g74 s SER 13 N -0.69 0.53 -0.06 7.02 0.15 -1.26 -1.13 113.70 118.26 1g74 s SER 13 Ca -0.08 -0.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.45 1g74 s SER 13 Cb -0.02 -0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1g74 s SER 13 CO 0.07 0.03 0.01 -0.70 1.20 0.00 0.00 173.24 173.85 1g74 s GLU 14 N -0.21 0.46 -1.85 5.44 2.12 -0.25 -4.84 118.70 119.57 1g74 s GLU 14 Ca 0.01 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.47 1g74 s GLU 14 Cb -0.02 -0.81 0.00 0.00 0.26 0.00 0.00 34.13 33.56 1g74 s GLU 14 CO -0.00 -0.27 0.00 0.09 -0.54 0.00 0.00 175.26 174.54 1g74 n ASN 15 N 4.94 -5.18 -0.23 -1.70 3.02 -1.26 -1.36 115.26 113.49 1g74 n ASN 15 Ca -0.11 0.37 -0.07 0.00 -0.03 0.00 0.00 54.58 54.74 1g74 n ASN 15 Cb 0.50 -4.26 0.06 0.00 -0.61 0.00 0.00 39.78 35.47 1g74 n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1g74 h PHE 16 N 0.00 1.15 -0.21 3.10 3.57 -1.88 -1.45 116.94 121.22 1g74 h PHE 16 Ca -0.38 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 60.90 1g74 h PHE 16 Cb 1.20 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1g74 h PHE 16 CO 0.50 0.96 -0.18 0.22 -2.23 0.00 0.00 178.31 177.58 1g74 h ASP 17 N 1.02 0.35 -0.45 0.41 1.82 -1.94 -0.62 116.42 117.01 1g74 h ASP 17 Ca 0.21 -0.09 -0.11 0.00 -0.39 0.00 0.00 57.03 56.64 1g74 h ASP 17 Cb 0.42 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 1g74 h ASP 17 CO 0.01 0.55 -0.17 0.44 -1.61 0.00 0.00 179.24 178.46 1g74 h ASP 18 N 0.33 0.92 0.01 2.28 3.32 -1.87 -1.47 116.42 119.94 1g74 h ASP 18 Ca 0.06 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1g74 h ASP 18 Cb 0.51 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1g74 h ASP 18 CO 0.03 1.10 -0.02 0.22 -1.72 0.00 0.00 179.24 178.86 1g74 h TYR 19 N 0.74 -0.04 -0.65 4.55 3.20 -0.73 -2.15 116.97 121.88 1g74 h TYR 19 Ca 0.11 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1g74 h TYR 19 Cb 0.73 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.98 1g74 h TYR 19 CO 0.05 -0.03 0.43 0.52 -1.64 0.00 0.00 178.16 177.50 1g74 h MET 20 N -0.03 0.71 0.24 1.82 2.86 -1.01 -0.41 114.93 119.10 1g74 h MET 20 Ca 0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1g74 h MET 20 Cb 0.04 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1g74 h MET 20 CO -0.01 0.47 -0.19 0.87 1.06 0.00 0.00 176.91 179.11 1g74 h LYS 21 N 0.73 -0.42 -0.61 1.72 1.57 -0.73 0.14 116.57 118.96 1g74 h LYS 21 Ca 0.27 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1g74 h LYS 21 Cb 0.15 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1g74 h LYS 21 CO -0.08 -0.28 0.25 0.93 -0.57 0.00 0.00 179.45 179.70 1g74 h GLU 22 N -0.44 0.89 0.00 3.15 4.39 -1.03 -0.68 114.58 120.87 1g74 h GLU 22 Ca -0.01 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1g74 h GLU 22 Cb 0.39 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1g74 h GLU 22 CO -0.01 0.73 -0.16 0.28 -1.16 0.00 0.00 179.01 178.69 1g74 h VAL 23 N 0.88 0.88 0.00 3.13 2.07 -0.46 -3.46 116.25 119.29 1g74 h VAL 23 Ca 0.21 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1g74 h VAL 23 Cb 0.16 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1g74 h VAL 23 CO -0.02 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.34 1g74 n GLY 24 N -0.86 1.14 3.77 2.17 0.00 0.18 -5.08 105.19 106.51 1g74 n GLY 24 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1g74 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g74 s VAL 25 N -2.00 2.47 0.62 1.61 1.01 0.24 -4.98 120.40 119.36 1g74 s VAL 25 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 1g74 s VAL 25 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1g74 s VAL 25 CO 0.00 0.11 1.10 -0.83 0.00 0.00 0.00 175.10 175.48 1g74 s GLY 26 N -0.34 2.24 0.18 4.51 0.00 -1.26 -4.66 107.32 107.98 1g74 s GLY 26 Ca 0.51 0.56 -0.21 0.00 0.00 0.00 0.00 44.72 45.57 1g74 s GLY 26 CO 0.57 0.90 1.60 -2.75 0.00 0.00 0.00 173.10 173.41 1g74 h PHE 27 N 0.37 -0.82 0.11 1.90 3.57 -1.99 -0.07 116.94 120.01 1g74 h PHE 27 Ca -0.47 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.11 1g74 h PHE 27 Cb 1.24 0.43 -0.04 0.00 2.79 0.00 0.00 35.95 40.37 1g74 h PHE 27 CO 0.55 -0.36 -0.36 0.00 -2.23 0.00 0.00 178.31 175.90 1g74 h ALA 28 N 0.95 -0.63 -0.43 2.41 0.00 -2.00 -0.50 119.26 119.07 1g74 h ALA 28 Ca 0.21 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1g74 h ALA 28 Cb 0.53 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1g74 h ALA 28 CO -0.59 -0.91 0.17 1.15 0.00 0.00 0.00 179.25 179.06 1g74 h THR 29 N -0.59 0.88 -0.71 0.00 2.02 -1.86 -0.72 112.91 111.94 1g74 h THR 29 Ca 0.03 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.19 1g74 h THR 29 Cb 0.62 0.51 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 1g74 h THR 29 CO -0.22 0.06 0.34 0.03 0.37 0.00 0.00 175.52 176.11 1g74 h ARG 30 N 0.34 0.56 0.22 6.66 3.08 -0.53 1.08 114.38 125.79 1g74 h ARG 30 Ca 0.20 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1g74 h ARG 30 Cb 0.18 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1g74 h ARG 30 CO -0.19 0.37 -0.10 0.87 -1.07 0.00 0.00 179.97 179.84 1g74 h LYS 31 N 0.57 -0.28 -0.35 0.04 1.79 -0.29 0.13 116.57 118.18 1g74 h LYS 31 Ca 0.36 0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.76 1g74 h LYS 31 Cb 0.40 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1g74 h LYS 31 CO -0.29 -0.02 -0.12 -0.24 -1.08 0.00 0.00 179.45 177.70 1g74 h VAL 32 N -0.52 1.28 -0.41 0.50 3.04 -0.76 -0.78 116.25 118.60 1g74 h VAL 32 Ca -0.03 -1.20 -0.04 0.00 -1.01 0.00 0.00 66.70 64.41 1g74 h VAL 32 Cb 0.39 1.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.99 1g74 h VAL 32 CO 0.05 0.39 0.07 0.00 -1.01 0.00 0.00 177.57 177.07 1g74 h ALA 33 N 0.80 1.36 0.00 3.17 0.00 0.12 -2.04 119.26 122.67 1g74 h ALA 33 Ca 0.08 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1g74 h ALA 33 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1g74 h ALA 33 CO 0.04 0.45 -0.50 0.78 0.00 0.00 0.00 179.25 180.03 1g74 h GLY 34 N 0.85 0.00 1.44 0.00 0.00 -0.60 -3.21 103.07 101.55 1g74 h GLY 34 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.52 1g74 h GLY 34 CO 0.00 0.00 0.25 1.98 0.00 0.00 0.00 176.54 178.77 1g74 h MET 35 N 0.00 0.26 -7.22 4.80 4.05 -0.37 -3.45 114.93 112.99 1g74 h MET 35 Ca -0.00 -0.02 -0.51 0.00 -0.28 0.00 0.00 59.70 58.89 1g74 h MET 35 Cb 1.35 -0.06 0.11 0.00 -0.80 0.00 0.00 31.60 32.20 1g74 h MET 35 CO 0.06 0.17 0.36 0.00 0.23 0.00 0.00 176.91 177.74 1g74 s ALA 36 N -5.27 2.41 -0.51 0.39 0.00 -1.21 -5.02 121.76 112.54 1g74 s ALA 36 Ca -0.07 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.48 1g74 s ALA 36 Cb 0.18 -3.32 0.31 0.00 0.00 0.00 0.00 23.12 20.30 1g74 s ALA 36 CO 0.72 -1.41 0.80 1.17 0.00 0.00 0.00 175.76 177.04 1g74 n LYS 37 N -2.65 2.15 -1.03 0.00 4.81 -1.26 -5.07 118.16 115.11 1g74 n LYS 37 Ca 0.10 -4.20 -0.33 0.00 -0.87 0.00 0.00 58.31 53.01 1g74 n LYS 37 Cb 0.52 -1.96 0.13 0.00 0.02 0.00 0.00 35.03 33.74 1g74 n LYS 37 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1g74 n PRO 38 N 0.31 0.07 -4.37 1.64 -0.02 -1.26 -4.55 135.00 126.81 1g74 n PRO 38 Ca 0.28 0.10 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 1g74 n PRO 38 Cb 0.49 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 1g74 n PRO 38 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1g74 s ASN 39 N -2.18 4.97 -0.16 2.55 0.02 -0.33 -2.49 114.94 117.32 1g74 s ASN 39 Ca 0.72 -0.02 0.01 0.00 -1.02 0.00 0.00 52.86 52.54 1g74 s ASN 39 Cb -0.28 -1.27 0.00 0.00 0.02 0.00 0.00 41.25 39.72 1g74 s ASN 39 CO 0.53 0.30 -0.17 -0.32 0.02 0.00 0.00 177.10 177.46 1g74 s MET 40 N -1.36 3.15 -0.27 -0.60 1.75 0.18 -0.66 119.30 121.49 1g74 s MET 40 Ca 0.17 -0.78 -0.02 0.00 -1.25 0.00 0.00 55.69 53.81 1g74 s MET 40 Cb -0.11 -2.60 0.03 0.00 2.84 0.00 0.00 34.83 34.99 1g74 s MET 40 CO 0.08 -0.04 -0.03 0.42 -0.65 0.00 0.00 175.02 174.80 1g74 s ILE 41 N 0.93 3.03 -0.11 10.11 1.01 0.19 0.10 121.20 136.46 1g74 s ILE 41 Ca -0.03 -1.08 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 1g74 s ILE 41 Cb -0.15 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1g74 s ILE 41 CO -0.03 0.11 -0.08 -0.63 0.00 0.00 0.00 174.94 174.31 1g74 s ILE 42 N 1.33 3.56 0.05 2.92 1.01 -0.28 -0.47 121.20 129.31 1g74 s ILE 42 Ca -0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 1g74 s ILE 42 Cb -0.17 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 1g74 s ILE 42 CO -0.03 0.55 0.12 -0.94 0.00 0.00 0.00 174.94 174.64 1g74 s SER 43 N -0.20 0.16 -0.06 3.58 1.04 -0.58 -0.90 113.70 116.75 1g74 s SER 43 Ca 0.02 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 55.93 1g74 s SER 43 Cb -0.13 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1g74 s SER 43 CO 0.03 -0.56 -0.12 -0.69 0.98 0.00 0.00 173.24 172.88 1g74 s VAL 44 N -2.87 1.10 -0.29 5.02 1.01 -1.26 -0.80 120.40 122.30 1g74 s VAL 44 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1g74 s VAL 44 Cb 0.00 -1.01 0.09 0.00 0.00 0.00 0.00 36.38 35.47 1g74 s VAL 44 CO -0.06 0.35 0.08 0.21 0.00 0.00 0.00 175.10 175.68 1g74 s ASN 45 N 0.63 3.93 1.67 3.32 3.84 0.15 -5.00 114.94 123.46 1g74 s ASN 45 Ca -0.14 -1.54 0.00 0.00 0.21 0.00 0.00 52.86 51.40 1g74 s ASN 45 Cb -0.15 -0.89 0.00 0.00 -0.55 0.00 0.00 41.25 39.65 1g74 s ASN 45 CO 0.03 -0.39 0.00 0.61 -2.79 0.00 0.00 177.10 174.57 1g74 n GLY 46 N 4.83 2.67 1.54 1.21 0.00 -1.26 -1.41 105.19 112.76 1g74 n GLY 46 Ca -0.03 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1g74 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1g74 n ASP 47 N 6.12 4.54 -4.48 1.61 5.68 -1.26 -4.86 116.55 123.90 1g74 n ASP 47 Ca 0.00 -2.31 -0.37 0.00 -0.50 0.00 0.00 54.79 51.61 1g74 n ASP 47 Cb 0.00 -0.56 -0.12 0.00 -1.14 0.00 0.00 41.12 39.30 1g74 n ASP 47 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1g74 s LEU 48 N -1.58 3.58 -0.10 -2.12 2.96 -0.50 -4.18 118.68 116.74 1g74 s LEU 48 Ca 0.51 -0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.23 1g74 s LEU 48 Cb 0.31 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1g74 s LEU 48 CO 0.28 -0.03 0.06 -0.69 -1.32 0.00 0.00 176.35 174.65 1g74 s VAL 49 N 1.59 4.78 -0.08 1.68 1.01 0.64 -0.68 120.40 129.34 1g74 s VAL 49 Ca 0.06 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1g74 s VAL 49 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1g74 s VAL 49 CO 0.05 0.60 -0.19 -0.89 0.00 0.00 0.00 175.10 174.67 1g74 s THR 50 N -0.95 1.64 -0.18 3.92 2.01 0.02 -0.59 115.64 121.51 1g74 s THR 50 Ca 0.14 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1g74 s THR 50 Cb -0.12 -1.44 0.04 0.00 0.01 0.00 0.00 72.50 70.99 1g74 s THR 50 CO 0.03 0.47 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.69 1g74 s ILE 51 N 0.38 1.58 0.02 1.82 1.01 -0.15 -1.52 121.20 124.34 1g74 s ILE 51 Ca -0.14 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.72 1g74 s ILE 51 Cb -0.16 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1g74 s ILE 51 CO 0.06 0.27 -0.17 -0.60 0.00 0.00 0.00 174.94 174.50 1g74 s ARG 52 N 1.44 2.18 -0.07 2.79 3.52 0.38 -1.96 118.95 127.23 1g74 s ARG 52 Ca 0.01 -0.91 0.02 0.00 -0.13 0.00 0.00 55.73 54.72 1g74 s ARG 52 Cb -0.15 -2.23 0.01 0.00 -1.56 0.00 0.00 34.95 31.02 1g74 s ARG 52 CO -0.09 0.56 -0.12 0.45 -0.81 0.00 0.00 175.30 175.29 1g74 s SER 53 N -1.26 1.81 -0.02 -2.12 0.15 -0.25 0.55 113.70 112.55 1g74 s SER 53 Ca 0.14 -0.30 0.06 0.00 0.70 0.00 0.00 55.95 56.55 1g74 s SER 53 Cb -0.11 -0.83 -0.01 0.00 -1.71 0.00 0.00 66.02 63.36 1g74 s SER 53 CO 0.04 0.02 -0.22 -1.61 1.20 0.00 0.00 173.24 172.67 1g74 s GLU 54 N 0.76 1.86 0.30 5.44 2.02 0.16 -0.53 118.70 128.71 1g74 s GLU 54 Ca -0.13 -0.78 -0.20 0.00 0.02 0.00 0.00 54.97 53.88 1g74 s GLU 54 Cb -0.16 -1.75 0.03 0.00 0.10 0.00 0.00 34.13 32.35 1g74 s GLU 54 CO 0.03 0.44 0.75 -1.54 0.02 0.00 0.00 175.26 174.95 1g74 s SER 55 N -0.42 -0.20 0.46 -0.19 1.04 -1.24 -1.19 113.70 111.96 1g74 s SER 55 Ca 0.06 -0.72 0.25 0.00 0.48 0.00 0.00 55.95 56.02 1g74 s SER 55 Cb -0.09 0.75 1.07 0.00 0.10 0.00 0.00 66.02 67.85 1g74 s SER 55 CO -0.00 -1.40 1.90 0.71 0.98 0.00 0.00 173.24 175.42 1g74 h THR 56 N 2.00 0.57 0.00 2.02 1.35 -1.99 -3.33 112.91 113.53 1g74 h THR 56 Ca -0.22 -0.96 -0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1g74 h THR 56 Cb 1.25 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1g74 h THR 56 CO 0.27 0.20 -0.00 0.15 -0.25 0.00 0.00 175.52 175.89 1g74 h PHE 57 N 0.00 -0.00 -3.10 4.73 3.57 -1.96 -3.48 116.94 116.69 1g74 h PHE 57 Ca -0.00 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1g74 h PHE 57 Cb 0.63 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 39.16 1g74 h PHE 57 CO 0.00 -0.00 -0.32 0.15 -2.23 0.00 0.00 178.31 175.91 1g74 s LYS 58 N -1.46 0.61 0.05 1.11 1.02 -1.25 -5.16 119.74 114.66 1g74 s LYS 58 Ca -0.00 -0.17 0.01 0.00 0.02 0.00 0.00 55.97 55.83 1g74 s LYS 58 Cb 0.00 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.54 1g74 s LYS 58 CO 0.00 -0.16 0.13 -0.80 -0.92 0.00 0.00 175.35 173.60 1g74 s ASN 59 N -1.20 5.88 0.11 2.83 0.02 -1.26 -3.68 114.94 117.64 1g74 s ASN 59 Ca -0.13 0.14 0.05 0.00 -1.02 0.00 0.00 52.86 51.90 1g74 s ASN 59 Cb -0.05 -1.70 -0.04 0.00 0.02 0.00 0.00 41.25 39.48 1g74 s ASN 59 CO 0.03 0.20 -0.12 0.42 0.02 0.00 0.00 177.10 177.66 1g74 s THR 60 N -1.38 1.11 -0.23 1.60 -4.23 0.31 -4.97 115.64 107.85 1g74 s THR 60 Ca 0.30 -1.66 -0.12 0.00 -1.18 0.00 0.00 61.69 59.03 1g74 s THR 60 Cb -0.12 -1.42 0.08 0.00 1.34 0.00 0.00 72.50 72.37 1g74 s THR 60 CO 0.22 -0.49 0.55 -0.70 -0.54 0.00 0.00 174.62 173.66 1g74 s GLU 61 N -2.70 0.53 -0.02 3.99 2.12 -1.26 -1.10 118.70 120.26 1g74 s GLU 61 Ca 0.07 1.06 0.03 0.00 0.36 0.00 0.00 54.97 56.48 1g74 s GLU 61 Cb -0.04 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.51 1g74 s GLU 61 CO 0.01 -0.17 -0.09 0.96 -0.54 0.00 0.00 175.26 175.44 1g74 s ILE 62 N 1.76 0.74 -0.06 -3.70 -4.36 -0.83 -4.98 121.20 109.78 1g74 s ILE 62 Ca -0.09 -0.36 0.05 0.00 -0.26 0.00 0.00 60.65 59.99 1g74 s ILE 62 Cb -0.08 -0.65 -0.00 0.00 1.25 0.00 0.00 42.46 42.98 1g74 s ILE 62 CO -0.16 0.23 -0.20 -0.44 0.24 0.00 0.00 174.94 174.60 1g74 s SER 63 N 0.07 2.57 0.20 4.36 0.01 -1.26 -0.98 113.70 118.67 1g74 s SER 63 Ca -0.01 -0.43 -0.17 0.00 1.31 0.00 0.00 55.95 56.64 1g74 s SER 63 Cb -0.07 -0.83 0.03 0.00 0.21 0.00 0.00 66.02 65.36 1g74 s SER 63 CO 0.00 0.17 0.53 0.72 0.41 0.00 0.00 173.24 175.08 1g74 s PHE 64 N 0.08 -0.09 -0.16 2.43 -0.71 0.24 -4.96 117.98 114.81 1g74 s PHE 64 Ca -0.07 -0.26 -0.07 0.00 -1.04 0.00 0.00 56.93 55.48 1g74 s PHE 64 Cb -0.14 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.03 1g74 s PHE 64 CO 0.04 -0.94 0.08 0.21 -1.34 0.00 0.00 175.22 173.27 1g74 s LYS 65 N -3.89 3.80 -0.02 1.99 2.20 -1.26 -0.26 119.74 122.30 1g74 s LYS 65 Ca 0.10 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 1g74 s LYS 65 Cb -0.01 -3.20 -0.07 0.00 -1.51 0.00 0.00 37.83 33.04 1g74 s LYS 65 CO -0.01 0.42 1.82 -0.51 -0.36 0.00 0.00 175.35 176.71 1g74 s LEU 66 N -0.04 4.33 0.00 5.43 1.43 -1.26 -2.11 118.68 126.46 1g74 s LEU 66 Ca 0.07 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1g74 s LEU 66 Cb -0.12 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1g74 s LEU 66 CO 0.01 -1.04 0.00 0.61 0.23 0.00 0.00 176.35 176.16 1g74 n GLY 67 N 4.40 1.15 3.45 -3.19 0.00 -0.15 -4.96 105.19 105.89 1g74 n GLY 67 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1g74 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g74 s VAL 68 N -2.17 4.15 0.37 1.61 1.01 -0.90 -4.95 120.40 119.52 1g74 s VAL 68 Ca 0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 1g74 s VAL 68 Cb 0.00 -2.91 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 1g74 s VAL 68 CO 0.00 0.38 1.41 -0.70 0.00 0.00 0.00 175.10 176.20 1g74 s GLU 69 N 1.33 4.15 0.19 2.72 2.12 -1.26 -4.62 118.70 123.33 1g74 s GLU 69 Ca 0.05 2.42 -0.08 0.00 0.36 0.00 0.00 54.97 57.72 1g74 s GLU 69 Cb -0.15 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 1g74 s GLU 69 CO 0.02 -0.44 0.29 -0.59 -0.54 0.00 0.00 175.26 174.00 1g74 s PHE 70 N -1.14 0.60 0.05 5.30 -0.71 -0.05 -4.96 117.98 117.07 1g74 s PHE 70 Ca 0.52 -0.93 -0.22 0.00 -1.04 0.00 0.00 56.93 55.26 1g74 s PHE 70 Cb -0.44 -0.13 -0.06 0.00 -1.21 0.00 0.00 43.02 41.18 1g74 s PHE 70 CO 0.59 -0.76 0.66 -0.51 -1.34 0.00 0.00 175.22 173.86 1g74 s ASP 71 N -3.03 7.12 -0.01 1.98 1.01 -1.26 -0.77 116.67 121.70 1g74 s ASP 71 Ca 0.24 1.33 0.00 0.00 0.71 0.00 0.00 52.55 54.84 1g74 s ASP 71 Cb 0.03 -2.41 0.01 0.00 1.01 0.00 0.00 42.92 41.56 1g74 s ASP 71 CO 0.05 0.13 0.00 -0.70 0.21 0.00 0.00 175.17 174.86 1g74 s GLU 72 N -0.47 0.08 -0.38 8.23 2.12 -0.55 -4.93 118.70 122.80 1g74 s GLU 72 Ca 0.33 0.04 -0.10 0.00 0.36 0.00 0.00 54.97 55.60 1g74 s GLU 72 Cb -0.20 -0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.05 1g74 s GLU 72 CO 0.20 -0.05 0.20 -2.00 -0.54 0.00 0.00 175.26 173.07 1g74 s GLU 73 N 0.42 2.74 0.78 4.30 2.12 -1.26 -0.83 118.70 126.98 1g74 s GLU 73 Ca -0.04 -1.16 -0.11 0.00 0.36 0.00 0.00 54.97 54.02 1g74 s GLU 73 Cb -0.06 -3.69 0.06 0.00 0.26 0.00 0.00 34.13 30.71 1g74 s GLU 73 CO -0.01 -0.74 1.09 0.99 -0.54 0.00 0.00 175.26 176.06 1g74 s THR 74 N 1.50 3.25 0.59 -1.70 2.01 0.04 -4.90 115.64 116.44 1g74 s THR 74 Ca 0.01 0.41 0.29 0.00 0.31 0.00 0.00 61.69 62.71 1g74 s THR 74 Cb -0.20 -2.87 0.35 0.00 0.01 0.00 0.00 72.50 69.79 1g74 s THR 74 CO 0.05 -0.53 2.19 1.62 -0.69 0.00 0.00 174.62 177.26 1g74 h VAL 75 N -1.18 0.53 -0.09 3.82 3.04 -1.94 0.15 116.25 120.58 1g74 h VAL 75 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1g74 h VAL 75 Cb 1.23 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 1g74 h VAL 75 CO 0.51 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.17 1g74 n ASP 76 N -3.86 1.75 0.00 3.17 5.75 -1.26 -4.94 116.55 117.15 1g74 n ASP 76 Ca -0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1g74 n ASP 76 Cb 0.18 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1g74 n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g74 n GLY 77 N 1.18 0.56 3.82 6.12 0.00 0.04 -4.93 105.19 111.98 1g74 n GLY 77 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1g74 n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g74 s ARG 78 N -0.96 4.12 -0.36 1.61 0.52 -1.26 -4.80 118.95 117.83 1g74 s ARG 78 Ca 0.00 1.13 -0.05 0.00 -0.52 0.00 0.00 55.73 56.29 1g74 s ARG 78 Cb 0.00 -2.16 0.07 0.00 0.52 0.00 0.00 34.95 33.38 1g74 s ARG 78 CO 0.00 -0.13 0.12 0.15 0.02 0.00 0.00 175.30 175.46 1g74 s LYS 79 N -3.34 2.41 0.42 3.54 1.02 -1.26 -0.78 119.74 121.76 1g74 s LYS 79 Ca 0.62 -1.40 0.07 0.00 0.02 0.00 0.00 55.97 55.28 1g74 s LYS 79 Cb -0.10 -3.45 -0.07 0.00 -0.52 0.00 0.00 37.83 33.68 1g74 s LYS 79 CO 0.17 -0.79 0.01 0.14 -0.92 0.00 0.00 175.35 173.96 1g74 s VAL 80 N 1.30 1.94 -0.25 3.17 -7.23 -0.01 -4.84 120.40 114.48 1g74 s VAL 80 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 1g74 s VAL 80 Cb -0.21 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.78 1g74 s VAL 80 CO -0.00 0.00 0.04 -0.54 -0.31 0.00 0.00 175.10 174.28 1g74 s LYS 81 N -3.73 3.49 0.07 4.82 -0.14 -0.11 -1.49 119.74 122.66 1g74 s LYS 81 Ca 0.33 -0.58 0.08 0.00 -1.36 0.00 0.00 55.97 54.44 1g74 s LYS 81 Cb 0.09 -3.23 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 1g74 s LYS 81 CO 0.17 -0.23 -0.19 -1.12 -0.76 0.00 0.00 175.35 173.22 1g74 s SER 82 N 1.56 3.77 -0.05 2.83 0.01 0.05 -0.75 113.70 121.13 1g74 s SER 82 Ca 0.06 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1g74 s SER 82 Cb -0.15 -0.55 0.02 0.00 0.21 0.00 0.00 66.02 65.56 1g74 s SER 82 CO 0.01 0.22 -0.02 -0.63 0.41 0.00 0.00 173.24 173.24 1g74 s ILE 83 N -1.01 0.38 -0.11 1.44 1.01 -0.82 -0.87 121.20 121.23 1g74 s ILE 83 Ca 0.16 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.84 1g74 s ILE 83 Cb -0.10 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 41.92 1g74 s ILE 83 CO 0.07 0.21 -0.17 -0.63 0.00 0.00 0.00 174.94 174.41 1g74 s ILE 84 N 1.21 1.66 0.33 2.92 1.01 -1.26 -1.32 121.20 125.76 1g74 s ILE 84 Ca -0.07 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 59.90 1g74 s ILE 84 Cb -0.14 -1.49 -0.07 0.00 0.01 0.00 0.00 42.46 40.78 1g74 s ILE 84 CO -0.02 0.47 -0.01 0.42 0.00 0.00 0.00 174.94 175.80 1g74 s THR 85 N 0.86 1.67 -0.35 2.92 -4.23 -0.35 -0.98 115.64 115.18 1g74 s THR 85 Ca -0.08 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.29 1g74 s THR 85 Cb -0.15 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 71.02 1g74 s THR 85 CO -0.00 -0.13 0.12 -0.22 -0.54 0.00 0.00 174.62 173.85 1g74 s LEU 86 N -3.54 4.40 -0.11 4.79 2.96 -1.26 -0.59 118.68 125.33 1g74 s LEU 86 Ca 0.33 -1.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.05 1g74 s LEU 86 Cb 0.07 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.90 1g74 s LEU 86 CO 0.15 -0.35 -0.06 -1.81 -1.32 0.00 0.00 176.35 172.96 1g74 s ASP 87 N 1.46 2.11 -1.59 3.68 1.01 0.11 -4.82 116.67 118.63 1g74 s ASP 87 Ca -0.01 -0.28 0.00 0.00 0.71 0.00 0.00 52.55 52.97 1g74 s ASP 87 Cb -0.20 -0.79 0.00 0.00 1.01 0.00 0.00 42.92 42.95 1g74 s ASP 87 CO 0.03 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 175.89 1g74 n GLY 88 N 4.97 -0.38 1.39 0.21 0.00 -1.26 -1.41 105.19 108.72 1g74 n GLY 88 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1g74 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g74 n GLY 89 N -0.92 0.88 3.55 -0.02 0.00 -1.26 -5.05 105.19 102.37 1g74 n GLY 89 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1g74 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g74 s ALA 90 N -2.82 2.88 -0.39 4.61 0.00 -0.50 -4.59 121.76 120.94 1g74 s ALA 90 Ca 0.00 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 50.49 1g74 s ALA 90 Cb 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1g74 s ALA 90 CO 0.00 0.63 0.62 -0.51 0.00 0.00 0.00 175.76 176.50 1g74 s LEU 91 N -2.15 4.38 -0.29 0.00 1.43 -0.25 -0.71 118.68 121.09 1g74 s LEU 91 Ca 0.20 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.11 1g74 s LEU 91 Cb -0.11 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1g74 s LEU 91 CO 0.12 -0.66 0.13 -0.69 0.23 0.00 0.00 176.35 175.48 1g74 s VAL 92 N 2.72 4.58 -0.10 -1.59 1.01 0.24 -0.75 120.40 126.50 1g74 s VAL 92 Ca 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1g74 s VAL 92 Cb -0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1g74 s VAL 92 CO 0.17 0.18 -0.09 -1.58 0.00 0.00 0.00 175.10 173.77 1g74 s GLN 93 N 1.63 3.13 -0.12 2.72 0.74 0.59 -1.21 119.66 127.13 1g74 s GLN 93 Ca 0.05 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 54.88 1g74 s GLN 93 Cb -0.16 -2.65 0.01 0.00 1.10 0.00 0.00 33.01 31.31 1g74 s GLN 93 CO 0.06 0.42 -0.19 0.08 -0.55 0.00 0.00 175.29 175.11 1g74 s VAL 94 N -0.17 1.82 -0.10 1.34 1.01 -0.43 0.11 120.40 123.98 1g74 s VAL 94 Ca 0.01 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1g74 s VAL 94 Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1g74 s VAL 94 CO 0.03 0.50 -0.07 -1.10 0.00 0.00 0.00 175.10 174.46 1g74 s GLN 95 N 0.84 3.06 -0.04 2.72 -0.21 -0.19 -1.94 119.66 123.90 1g74 s GLN 95 Ca -0.08 -0.57 0.04 0.00 0.02 0.00 0.00 55.36 54.77 1g74 s GLN 95 Cb -0.15 -2.66 -0.00 0.00 1.00 0.00 0.00 33.01 31.19 1g74 s GLN 95 CO -0.01 0.49 -0.14 0.15 -2.12 0.00 0.00 175.29 173.67 1g74 s LYS 96 N -0.35 1.43 -0.13 2.91 1.02 0.08 -1.50 119.74 123.19 1g74 s LYS 96 Ca 0.05 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1g74 s LYS 96 Cb -0.12 -1.27 0.10 0.00 -0.52 0.00 0.00 37.83 36.01 1g74 s LYS 96 CO 0.02 0.19 0.86 1.67 -0.92 0.00 0.00 175.35 177.18 1g74 s TRP 97 N 0.10 -0.51 -1.56 3.18 -2.14 -0.59 -0.93 118.94 116.48 1g74 s TRP 97 Ca -0.03 0.92 -0.08 0.00 2.66 0.00 0.00 56.10 59.57 1g74 s TRP 97 Cb -0.10 0.42 0.08 0.00 -3.10 0.00 0.00 33.47 30.77 1g74 s TRP 97 CO 0.01 -0.44 0.21 -0.25 -2.66 0.00 0.00 176.95 173.83 1g74 n ASP 98 N 1.00 -0.08 -0.10 -2.66 8.00 -1.26 0.13 116.55 121.58 1g74 n ASP 98 Ca -0.14 -1.18 -0.01 0.00 0.71 0.00 0.00 54.79 54.17 1g74 n ASP 98 Cb 0.57 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.18 1g74 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g74 n GLY 99 N -1.93 0.29 3.74 0.44 0.00 -1.26 -4.99 105.19 101.48 1g74 n GLY 99 Ca -0.15 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1g74 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g74 s LYS 100 N -1.48 2.40 -0.09 1.61 1.02 0.34 -5.15 119.74 118.40 1g74 s LYS 100 Ca 0.00 -1.52 -0.16 0.00 0.02 0.00 0.00 55.97 54.31 1g74 s LYS 100 Cb 0.00 -2.20 0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1g74 s LYS 100 CO 0.00 0.13 0.41 -1.54 -0.92 0.00 0.00 175.35 173.42 1g74 s SER 101 N -3.85 -0.37 0.01 2.83 1.04 -1.26 -1.55 113.70 110.55 1g74 s SER 101 Ca 0.37 0.54 -0.04 0.00 0.48 0.00 0.00 55.95 57.30 1g74 s SER 101 Cb -0.03 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 1g74 s SER 101 CO 0.23 -0.31 0.07 0.28 0.98 0.00 0.00 173.24 174.49 1g74 s THR 102 N -0.53 0.09 -0.07 2.02 -1.32 -0.56 -4.71 115.64 110.56 1g74 s THR 102 Ca -0.06 -0.71 0.02 0.00 -1.21 0.00 0.00 61.69 59.72 1g74 s THR 102 Cb -0.04 -0.34 -0.02 0.00 -1.51 0.00 0.00 72.50 70.59 1g74 s THR 102 CO 0.03 -0.39 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.03 1g74 s THR 103 N -1.29 3.16 -0.18 5.08 2.01 -0.82 -1.02 115.64 122.58 1g74 s THR 103 Ca -0.14 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1g74 s THR 103 Cb -0.08 -2.27 0.05 0.00 0.01 0.00 0.00 72.50 70.21 1g74 s THR 103 CO 0.00 0.58 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.84 1g74 s ILE 104 N -0.50 1.11 -0.12 1.82 1.01 0.12 -0.54 121.20 124.11 1g74 s ILE 104 Ca 0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 1g74 s ILE 104 Cb -0.12 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1g74 s ILE 104 CO 0.02 0.06 -0.04 -0.54 0.00 0.00 0.00 174.94 174.44 1g74 s LYS 105 N 1.62 3.28 -0.20 2.79 1.02 0.83 -0.30 119.74 128.79 1g74 s LYS 105 Ca -0.00 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 1g74 s LYS 105 Cb -0.16 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1g74 s LYS 105 CO -0.07 0.46 -0.13 1.03 -0.92 0.00 0.00 175.35 175.71 1g74 s ARG 106 N -0.23 3.17 0.11 1.68 0.52 0.07 -0.35 118.95 123.92 1g74 s ARG 106 Ca 0.04 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.53 1g74 s ARG 106 Cb -0.13 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 1g74 s ARG 106 CO 0.02 -0.19 -0.05 -1.59 0.02 0.00 0.00 175.30 173.51 1g74 s LYS 107 N 1.35 0.87 -0.02 3.54 -2.85 0.33 -1.09 119.74 121.87 1g74 s LYS 107 Ca 0.05 -1.36 -0.18 0.00 -1.00 0.00 0.00 55.97 53.48 1g74 s LYS 107 Cb -0.14 -0.18 -0.05 0.00 -2.06 0.00 0.00 37.83 35.40 1g74 s LYS 107 CO -0.08 -0.05 0.50 1.03 0.10 0.00 0.00 175.35 176.85 1g74 s ARG 108 N -3.86 4.18 -0.31 1.78 1.81 -1.26 0.56 118.95 121.85 1g74 s ARG 108 Ca 0.14 0.56 -0.02 0.00 -1.72 0.00 0.00 55.73 54.69 1g74 s ARG 108 Cb 0.06 -3.31 0.12 0.00 -0.45 0.00 0.00 34.95 31.36 1g74 s ARG 108 CO -0.03 0.46 0.16 0.34 -0.68 0.00 0.00 175.30 175.55 1g74 s ASP 109 N -0.42 3.30 1.24 0.23 -1.08 -0.32 -4.90 116.67 114.73 1g74 s ASP 109 Ca 0.27 -1.66 0.00 0.00 -0.52 0.00 0.00 52.55 50.64 1g74 s ASP 109 Cb -0.17 -0.37 0.00 0.00 -1.46 0.00 0.00 42.92 40.92 1g74 s ASP 109 CO 0.15 -0.39 0.00 0.61 0.52 0.00 0.00 175.17 176.06 1g74 n GLY 110 N 4.76 1.78 1.12 2.66 0.00 -1.26 -1.86 105.19 112.38 1g74 n GLY 110 Ca 0.01 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.64 1g74 n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1g74 n ASP 111 N 5.30 3.25 -4.83 1.61 5.68 -1.26 -4.93 116.55 121.37 1g74 n ASP 111 Ca 0.00 -2.15 -0.22 0.00 -0.50 0.00 0.00 54.79 51.92 1g74 n ASP 111 Cb 0.00 -0.42 -0.04 0.00 -1.14 0.00 0.00 41.12 39.51 1g74 n ASP 111 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1g74 s LYS 112 N -1.50 2.53 -0.19 0.11 -0.14 -0.78 -4.40 119.74 115.37 1g74 s LYS 112 Ca 0.37 -1.51 -0.01 0.00 -1.36 0.00 0.00 55.97 53.47 1g74 s LYS 112 Cb 0.21 -2.33 0.01 0.00 -1.68 0.00 0.00 37.83 34.05 1g74 s LYS 112 CO 0.22 -0.06 -0.15 -1.17 -0.76 0.00 0.00 175.35 173.43 1g74 s LEU 113 N -4.02 2.39 -0.16 3.17 0.20 0.18 -1.17 118.68 119.26 1g74 s LEU 113 Ca 0.44 -0.56 -0.04 0.00 0.69 0.00 0.00 54.13 54.66 1g74 s LEU 113 Cb -0.03 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 1g74 s LEU 113 CO 0.26 -0.00 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.59 1g74 s VAL 114 N 1.32 3.87 -0.26 1.68 1.01 0.19 -0.30 120.40 127.91 1g74 s VAL 114 Ca 0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1g74 s VAL 114 Cb -0.14 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1g74 s VAL 114 CO -0.09 0.49 0.02 -0.69 0.00 0.00 0.00 175.10 174.83 1g74 s VAL 115 N 0.39 3.66 -0.24 2.92 1.01 0.88 -0.51 120.40 128.50 1g74 s VAL 115 Ca -0.04 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1g74 s VAL 115 Cb -0.14 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1g74 s VAL 115 CO 0.03 0.23 0.01 -0.70 0.00 0.00 0.00 175.10 174.67 1g74 s GLU 116 N 1.48 3.44 -0.03 2.72 2.56 0.53 -0.87 118.70 128.53 1g74 s GLU 116 Ca 0.04 -0.60 0.03 0.00 0.00 0.00 0.00 54.97 54.44 1g74 s GLU 116 Cb -0.16 -3.15 -0.03 0.00 2.00 0.00 0.00 34.13 32.79 1g74 s GLU 116 CO -0.00 -0.22 -0.10 0.00 -0.56 0.00 0.00 175.26 174.38 1g74 s VAL 118 N -0.87 0.12 -0.17 0.00 1.01 0.30 -1.32 120.40 119.48 1g74 s VAL 118 Ca 0.14 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 1g74 s VAL 118 Cb -0.11 -0.21 0.08 0.00 0.00 0.00 0.00 36.38 36.14 1g74 s VAL 118 CO 0.04 0.12 0.20 -0.32 0.00 0.00 0.00 175.10 175.14 1g74 s MET 119 N 0.89 0.14 -1.46 2.72 -2.45 -0.02 -1.95 119.30 117.18 1g74 s MET 119 Ca -0.09 0.32 -0.11 0.00 -1.25 0.00 0.00 55.69 54.57 1g74 s MET 119 Cb -0.12 -0.92 0.07 0.00 1.25 0.00 0.00 34.83 35.11 1g74 s MET 119 CO -0.02 -0.54 0.75 1.63 1.05 0.00 0.00 175.02 177.90 1g74 n LYS 120 N 5.32 -4.70 0.00 4.11 5.02 -1.26 -1.04 118.16 125.61 1g74 n LYS 120 Ca -0.05 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1g74 n LYS 120 Cb 0.50 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 30.07 1g74 n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g74 n GLY 121 N -1.49 2.95 3.69 0.72 0.00 -1.26 -5.00 105.19 104.79 1g74 n GLY 121 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1g74 n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g74 s VAL 122 N -1.87 4.27 0.02 1.61 1.01 -0.21 -5.01 120.40 120.21 1g74 s VAL 122 Ca 0.00 1.59 0.07 0.00 0.00 0.00 0.00 61.98 63.64 1g74 s VAL 122 Cb 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1g74 s VAL 122 CO 0.00 0.01 -0.21 0.42 0.00 0.00 0.00 175.10 175.32 1g74 s THR 123 N 2.10 1.67 0.04 3.92 -4.23 -1.26 -0.84 115.64 117.04 1g74 s THR 123 Ca 0.56 -1.09 0.06 0.00 -1.18 0.00 0.00 61.69 60.04 1g74 s THR 123 Cb -0.25 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.14 1g74 s THR 123 CO 0.22 0.30 -0.17 -0.94 -0.54 0.00 0.00 174.62 173.50 1g74 s SER 124 N -0.93 2.04 -0.12 3.99 1.04 -0.44 -4.73 113.70 114.56 1g74 s SER 124 Ca 0.08 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.02 1g74 s SER 124 Cb -0.09 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.90 1g74 s SER 124 CO 0.01 0.09 -0.12 -0.89 0.98 0.00 0.00 173.24 173.31 1g74 s THR 125 N -0.83 1.31 -0.10 2.02 2.01 -0.46 -1.23 115.64 118.35 1g74 s THR 125 Ca 0.04 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1g74 s THR 125 Cb -0.08 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1g74 s THR 125 CO 0.02 0.41 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.01 1g74 s ARG 126 N 1.34 2.83 -0.14 4.92 0.52 -0.05 -1.09 118.95 127.28 1g74 s ARG 126 Ca -0.00 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 54.37 1g74 s ARG 126 Cb -0.14 -2.19 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 1g74 s ARG 126 CO -0.06 0.10 0.02 0.08 0.02 0.00 0.00 175.30 175.47 1g74 s VAL 127 N 0.52 4.43 0.04 3.52 1.01 -0.28 -0.08 120.40 129.56 1g74 s VAL 127 Ca -0.15 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1g74 s VAL 127 Cb -0.17 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1g74 s VAL 127 CO 0.05 0.53 -0.24 -0.31 0.00 0.00 0.00 175.10 175.13 1g74 s TYR 128 N -0.15 2.15 0.18 5.22 1.51 0.59 -0.77 117.35 126.07 1g74 s TYR 128 Ca 0.05 -0.40 0.10 0.00 -1.01 0.00 0.00 57.07 55.82 1g74 s TYR 128 Cb -0.12 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1g74 s TYR 128 CO 0.02 0.10 -0.19 -1.83 -1.11 0.00 0.00 175.55 172.54 1g74 s GLU 129 N -1.17 1.72 0.23 -0.62 -1.05 -0.46 -0.65 118.70 116.71 1g74 s GLU 129 Ca 0.10 -1.39 -0.32 0.00 -0.15 0.00 0.00 54.97 53.22 1g74 s GLU 129 Cb -0.10 -1.98 -0.12 0.00 -0.44 0.00 0.00 34.13 31.49 1g74 s GLU 129 CO 0.02 0.42 1.63 0.54 0.95 0.00 0.00 175.26 178.82 1g74 n ARG 130 N 0.29 2.57 0.00 -4.83 1.74 -1.26 -0.17 116.66 115.00 1g74 n ARG 130 Ca -0.13 0.92 0.08 0.00 -0.77 0.00 0.00 57.85 57.96 1g74 n ARG 130 Cb 0.55 -2.72 0.50 0.00 -1.02 0.00 0.00 32.46 29.77 1g74 n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11