#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug2 s PRO 2 N 0.00 -0.14 0.19 1.61 0.04 -1.26 -5.10 135.00 130.35 1ug2 s PRO 2 Ca 0.00 -0.19 -0.11 0.00 0.04 0.00 0.00 61.00 60.74 1ug2 s PRO 2 Cb 0.00 -1.73 -0.00 0.00 0.04 0.00 0.00 34.50 32.80 1ug2 s PRO 2 CO 0.00 -2.97 0.36 -1.54 0.04 0.00 0.00 177.00 172.89 1ug2 s SER 3 N -4.37 -0.03 0.00 6.66 1.04 -1.26 -5.11 113.70 110.64 1ug2 s SER 3 Ca 0.72 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1ug2 s SER 3 Cb -0.07 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1ug2 s SER 3 CO 0.54 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1ug2 n GLY 4 N -0.27 0.42 1.66 7.32 0.00 -1.26 -5.13 105.19 107.92 1ug2 n GLY 4 Ca -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1ug2 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ug2 n SER 5 N 0.00 -8.76 -3.15 1.61 7.64 -1.26 -5.05 113.62 104.64 1ug2 n SER 5 Ca 0.00 1.24 0.05 0.00 1.01 0.00 0.00 58.87 61.17 1ug2 n SER 5 Cb 0.00 -4.68 -0.00 0.00 -1.01 0.00 0.00 64.21 58.52 1ug2 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ug2 s SER 6 N -2.60 -0.84 -0.21 6.43 0.15 -1.26 -5.17 113.70 110.21 1ug2 s SER 6 Ca 0.00 0.16 -0.36 0.00 0.70 0.00 0.00 55.95 56.44 1ug2 s SER 6 Cb 0.00 1.55 0.15 0.00 -1.71 0.00 0.00 66.02 66.01 1ug2 s SER 6 CO 0.00 -0.15 1.33 -0.83 1.20 0.00 0.00 173.24 174.79 1ug2 s GLY 7 N 2.91 -0.29 0.18 9.45 0.00 -1.26 -5.19 107.32 113.13 1ug2 s GLY 7 Ca 0.19 1.58 -0.14 0.00 0.00 0.00 0.00 44.72 46.35 1ug2 s GLY 7 CO -0.22 0.50 0.42 0.00 0.00 0.00 0.00 173.10 173.79 1ug2 s ALA 8 N -2.18 -0.54 0.10 3.20 0.00 -1.26 -5.18 121.76 115.90 1ug2 s ALA 8 Ca 0.12 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.66 1ug2 s ALA 8 Cb 0.01 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1ug2 s ALA 8 CO -0.04 -0.74 -0.21 0.20 0.00 0.00 0.00 175.76 174.97 1ug2 s GLY 9 N -2.91 1.25 -0.18 0.00 0.00 -1.26 -5.14 107.32 99.07 1ug2 s GLY 9 Ca 0.12 -1.24 -0.22 0.00 0.00 0.00 0.00 44.72 43.38 1ug2 s GLY 9 CO -0.02 -1.23 0.60 0.00 0.00 0.00 0.00 173.10 172.45 1ug2 s ALA 10 N -1.11 -1.49 0.50 3.20 0.00 -1.26 -5.13 121.76 116.48 1ug2 s ALA 10 Ca 0.07 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1ug2 s ALA 10 Cb -0.10 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1ug2 s ALA 10 CO 0.04 -0.30 0.00 1.28 0.00 0.00 0.00 175.76 176.78 1ug2 n LEU 11 N 2.35 -1.55 -4.81 0.00 7.99 -1.26 -4.99 117.00 114.73 1ug2 n LEU 11 Ca -0.15 2.48 -0.30 0.00 -0.01 0.00 0.00 56.01 58.03 1ug2 n LEU 11 Cb 0.56 -2.52 0.08 0.00 -0.11 0.00 0.00 43.42 41.43 1ug2 n LEU 11 CO 0.11 -0.49 0.71 -2.16 -1.51 0.00 0.00 177.39 174.05 1ug2 s PRO 12 N -4.98 2.29 0.00 3.23 0.04 -1.26 -5.16 135.00 129.16 1ug2 s PRO 12 Ca 0.00 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1ug2 s PRO 12 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1ug2 s PRO 12 CO 0.00 -1.49 0.00 1.17 0.04 0.00 0.00 177.00 176.72 1ug2 n LYS 13 N -3.36 0.00 -4.34 4.56 4.81 -1.26 -5.07 118.16 113.50 1ug2 n LYS 13 Ca 0.07 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.31 1ug2 n LYS 13 Cb 0.56 -0.29 -0.11 0.00 0.02 0.00 0.00 35.03 35.21 1ug2 n LYS 13 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ug2 s ALA 14 N -3.23 2.02 0.12 3.14 0.00 -1.26 -5.06 121.76 117.49 1ug2 s ALA 14 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1ug2 s ALA 14 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1ug2 s ALA 14 CO 0.00 0.15 0.00 0.43 0.00 0.00 0.00 175.76 176.34 1ug2 n SER 15 N -0.05 0.33 -1.32 0.00 7.64 -1.26 -5.16 113.62 113.81 1ug2 n SER 15 Ca -0.10 0.20 0.17 0.00 1.01 0.00 0.00 58.87 60.14 1ug2 n SER 15 Cb 0.59 0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.73 1ug2 n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ug2 n GLU 16 N -3.24 -2.88 -4.21 1.43 1.02 -1.26 -5.02 120.64 106.48 1ug2 n GLU 16 Ca 0.00 2.18 -0.14 0.00 -0.02 0.00 0.00 57.16 59.18 1ug2 n GLU 16 Cb 0.10 -3.43 -0.09 0.00 -0.02 0.00 0.00 31.44 28.00 1ug2 n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ug2 s ALA 17 N -3.26 1.30 0.16 0.62 0.00 -1.26 -5.18 121.76 114.13 1ug2 s ALA 17 Ca 0.00 -1.77 -0.08 0.00 0.00 0.00 0.00 51.96 50.11 1ug2 s ALA 17 Cb 0.00 1.39 -0.01 0.00 0.00 0.00 0.00 23.12 24.50 1ug2 s ALA 17 CO 0.00 -0.63 0.26 0.95 0.00 0.00 0.00 175.76 176.34 1ug2 s THR 18 N -3.91 0.07 -0.16 0.00 -4.23 -1.26 -5.15 115.64 101.00 1ug2 s THR 18 Ca 0.39 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 1ug2 s THR 18 Cb 0.05 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 72.07 1ug2 s THR 18 CO 0.17 -0.32 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.08 1ug2 s VAL 19 N -3.97 1.73 0.28 2.29 1.01 -1.26 -5.12 120.40 115.37 1ug2 s VAL 19 Ca 0.17 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1ug2 s VAL 19 Cb 0.04 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 1ug2 s VAL 19 CO -0.00 0.46 -0.07 0.00 0.00 0.00 0.00 175.10 175.48 1ug2 n ALA 21 N -0.60 -2.30 0.00 0.00 0.00 -1.26 -5.02 120.51 111.33 1ug2 n ALA 21 Ca -0.05 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1ug2 n ALA 21 Cb 0.63 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1ug2 n ALA 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ug2 n ASN 22 N 1.74 0.00 0.04 0.00 2.85 -1.26 -5.06 115.26 113.57 1ug2 n ASN 22 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1ug2 n ASN 22 Cb 0.10 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.12 1ug2 n ASN 22 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1ug2 n ASN 23 N 0.00 -0.78 -4.60 1.20 2.85 -1.26 -5.13 115.26 107.54 1ug2 n ASN 23 Ca 0.00 0.43 -0.46 0.00 -0.11 0.00 0.00 54.58 54.44 1ug2 n ASN 23 Cb 0.00 1.02 -0.03 0.00 1.24 0.00 0.00 39.78 42.01 1ug2 n ASN 23 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1ug2 n SER 24 N -2.82 1.59 0.02 1.20 3.41 -1.26 -4.63 113.62 111.14 1ug2 n SER 24 Ca 0.00 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 1ug2 n SER 24 Cb 0.00 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.66 1ug2 n SER 24 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ug2 n LYS 25 N 1.27 0.00 -1.69 4.33 4.81 -1.26 -5.14 118.16 120.48 1ug2 n LYS 25 Ca 0.12 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.24 1ug2 n LYS 25 Cb 0.30 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.39 1ug2 n LYS 25 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ug2 s VAL 26 N -1.67 3.81 0.34 3.15 0.11 -1.26 -4.83 120.40 120.05 1ug2 s VAL 26 Ca 0.00 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 1ug2 s VAL 26 Cb 0.00 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1ug2 s VAL 26 CO 0.00 -0.67 0.00 -1.20 -3.33 0.00 0.00 175.10 169.90 1ug2 n SER 27 N -2.79 -5.85 -3.65 3.54 7.64 -1.26 -5.09 113.62 106.15 1ug2 n SER 27 Ca 0.08 0.84 -0.03 0.00 1.01 0.00 0.00 58.87 60.77 1ug2 n SER 27 Cb 0.53 -2.75 -0.07 0.00 -1.01 0.00 0.00 64.21 60.91 1ug2 n SER 27 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ug2 s SER 28 N -3.08 -0.08 -0.26 6.43 0.15 -1.26 -5.16 113.70 110.45 1ug2 s SER 28 Ca 0.00 0.15 -0.25 0.00 0.70 0.00 0.00 55.95 56.54 1ug2 s SER 28 Cb 0.00 0.16 0.07 0.00 -1.71 0.00 0.00 66.02 64.54 1ug2 s SER 28 CO 0.00 -0.03 0.72 0.28 1.20 0.00 0.00 173.24 175.41 1ug2 s THR 29 N 0.05 0.00 0.00 6.45 -1.32 -1.26 -5.16 115.64 114.40 1ug2 s THR 29 Ca 0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1ug2 s THR 29 Cb -0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 1ug2 s THR 29 CO -0.15 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 1ug2 n GLY 30 N 2.57 4.59 2.57 6.08 0.00 -1.26 -4.90 105.19 114.84 1ug2 n GLY 30 Ca -0.14 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1ug2 n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ug2 s GLU 31 N -3.46 0.20 -0.36 1.61 2.12 -1.26 -4.98 118.70 112.58 1ug2 s GLU 31 Ca 0.00 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 54.90 1ug2 s GLU 31 Cb 0.00 -1.12 0.32 0.00 0.26 0.00 0.00 34.13 33.59 1ug2 s GLU 31 CO 0.00 -1.01 1.32 1.17 -0.54 0.00 0.00 175.26 176.20 1ug2 n LYS 32 N 5.26 0.34 -3.63 4.30 4.81 -1.26 -4.88 118.16 123.10 1ug2 n LYS 32 Ca -0.06 -0.98 -0.28 0.00 -0.87 0.00 0.00 58.31 56.12 1ug2 n LYS 32 Cb 0.43 -0.37 -0.12 0.00 0.02 0.00 0.00 35.03 34.99 1ug2 n LYS 32 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1ug2 s VAL 33 N 0.11 1.35 -0.61 3.15 1.01 -1.26 -4.97 120.40 119.18 1ug2 s VAL 33 Ca 0.21 -3.03 0.04 0.00 0.00 0.00 0.00 61.98 59.21 1ug2 s VAL 33 Cb 0.29 -1.92 0.36 0.00 0.00 0.00 0.00 36.38 35.11 1ug2 s VAL 33 CO -0.16 -1.06 1.13 0.52 0.00 0.00 0.00 175.10 175.53 1ug2 n VAL 34 N 2.87 3.30 0.00 2.92 0.31 -1.26 -4.76 118.33 121.71 1ug2 n VAL 34 Ca 0.20 -5.44 0.00 0.00 -0.01 0.00 0.00 64.34 59.09 1ug2 n VAL 34 Cb 0.40 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 1ug2 n VAL 34 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ug2 n LEU 35 N -0.29 0.00 -4.80 7.52 -0.00 -1.26 -5.14 117.00 113.04 1ug2 n LEU 35 Ca 0.36 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 56.05 1ug2 n LEU 35 Cb 0.43 0.18 0.05 0.00 -0.00 0.00 0.00 43.42 44.08 1ug2 n LEU 35 CO 0.37 -0.18 0.71 0.26 -0.00 0.00 0.00 177.39 178.55 1ug2 s TRP 36 N -0.47 2.89 0.31 1.96 0.52 -1.26 -5.05 118.94 117.83 1ug2 s TRP 36 Ca 0.00 1.49 0.06 0.00 0.02 0.00 0.00 56.10 57.67 1ug2 s TRP 36 Cb 0.00 -2.99 -0.02 0.00 -1.15 0.00 0.00 33.47 29.32 1ug2 s TRP 36 CO 0.00 -1.41 0.45 0.95 0.02 0.00 0.00 176.95 176.96 1ug2 s THR 37 N -2.79 4.44 0.07 2.01 -4.23 -1.26 -4.94 115.64 108.93 1ug2 s THR 37 Ca 0.61 -0.97 -0.32 0.00 -1.18 0.00 0.00 61.69 59.83 1ug2 s THR 37 Cb -0.16 -3.55 -0.17 0.00 1.34 0.00 0.00 72.50 69.96 1ug2 s THR 37 CO 0.50 -0.22 1.50 -0.09 -0.54 0.00 0.00 174.62 175.76 1ug2 h ARG 38 N 0.96 -0.98 -0.99 3.99 2.43 -1.97 0.40 114.38 118.22 1ug2 h ARG 38 Ca -0.48 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 58.85 1ug2 h ARG 38 Cb 1.25 0.22 -0.12 0.00 -0.42 0.00 0.00 29.97 30.90 1ug2 h ARG 38 CO 0.55 -0.65 -0.57 0.39 -1.51 0.00 0.00 179.97 178.18 1ug2 n GLU 39 N -5.20 -0.42 0.14 0.20 4.71 -1.26 0.19 120.64 118.99 1ug2 n GLU 39 Ca -0.12 1.50 -0.13 0.00 -0.01 0.00 0.00 57.16 58.39 1ug2 n GLU 39 Cb 0.44 -2.21 -0.06 0.00 -1.01 0.00 0.00 31.44 28.60 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ug2 h ALA 40 N 0.56 -0.46 -1.01 0.62 0.00 -1.94 1.46 119.26 118.49 1ug2 h ALA 40 Ca 0.17 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.26 1ug2 h ALA 40 Cb 0.42 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1ug2 h ALA 40 CO -0.94 -0.80 0.63 0.22 0.00 0.00 0.00 179.25 178.36 1ug2 h ASP 41 N -0.49 0.59 0.14 0.00 3.58 0.28 0.35 116.42 120.87 1ug2 h ASP 41 Ca 0.01 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1ug2 h ASP 41 Cb 0.48 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1ug2 h ASP 41 CO -0.10 0.15 -0.07 0.03 -2.88 0.00 0.00 179.24 176.37 1ug2 h ARG 42 N 0.54 -0.18 -0.99 0.28 3.08 0.35 -3.17 114.38 114.29 1ug2 h ARG 42 Ca 0.59 0.01 0.34 0.00 0.07 0.00 0.00 59.98 60.99 1ug2 h ARG 42 Cb 1.25 0.04 -0.18 0.00 0.08 0.00 0.00 29.97 31.16 1ug2 h ARG 42 CO -0.36 0.21 0.30 0.28 -1.07 0.00 0.00 179.97 179.33 1ug2 h VAL 43 N -0.95 0.04 0.55 2.04 2.07 0.30 1.14 116.25 121.44 1ug2 h VAL 43 Ca -0.02 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1ug2 h VAL 43 Cb 0.47 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1ug2 h VAL 43 CO 0.03 0.01 -0.51 0.40 0.02 0.00 0.00 177.57 177.52 1ug2 h ILE 44 N 0.03 0.00 0.48 4.57 2.04 -1.02 0.60 117.51 124.21 1ug2 h ILE 44 Ca 0.72 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.55 1ug2 h ILE 44 Cb 1.70 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1ug2 h ILE 44 CO -0.82 0.00 -0.25 -0.07 0.00 0.00 0.00 178.15 177.00 1ug2 h LEU 45 N -1.05 -0.62 -0.34 1.44 3.38 0.03 0.66 115.31 118.81 1ug2 h LEU 45 Ca -0.07 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1ug2 h LEU 45 Cb 0.90 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 1ug2 h LEU 45 CO -0.04 -0.42 -0.39 0.74 0.09 0.00 0.00 178.44 178.43 1ug2 h THR 46 N -0.68 0.00 -0.62 0.22 2.02 0.12 1.21 112.91 115.18 1ug2 h THR 46 Ca -0.06 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.15 1ug2 h THR 46 Cb 0.54 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1ug2 h THR 46 CO 0.09 0.00 0.37 0.24 0.37 0.00 0.00 175.52 176.59 1ug2 h MET 47 N -0.23 0.69 0.00 6.66 2.86 0.27 0.93 114.93 126.11 1ug2 h MET 47 Ca 0.06 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1ug2 h MET 47 Cb 0.39 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1ug2 h MET 47 CO -0.44 0.46 -0.01 0.00 1.06 0.00 0.00 176.91 177.98 1ug2 n GLN 49 N -3.22 0.40 0.51 0.00 7.27 0.40 0.90 117.38 123.64 1ug2 n GLN 49 Ca -0.03 0.48 -0.20 0.00 0.07 0.00 0.00 57.00 57.33 1ug2 n GLN 49 Cb 0.10 -1.57 -0.10 0.00 2.41 0.00 0.00 30.24 31.09 1ug2 n GLN 49 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1ug2 h GLU 50 N -0.87 -1.26 0.00 3.69 4.39 0.85 -3.10 114.58 118.28 1ug2 h GLU 50 Ca 0.00 0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.64 1ug2 h GLU 50 Cb 0.46 0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1ug2 h GLU 50 CO 0.00 -0.84 -0.68 1.96 -1.16 0.00 0.00 179.01 178.29 1ug2 h GLN 51 N -1.35 0.00 0.00 2.33 1.08 0.34 -3.50 115.11 114.01 1ug2 h GLN 51 Ca -0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1ug2 h GLN 51 Cb 1.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1ug2 h GLN 51 CO 0.22 0.68 0.00 0.41 -0.95 0.00 0.00 178.83 179.19 1ug2 n GLY 52 N 0.50 2.57 2.94 3.46 0.00 0.28 -4.81 105.19 110.13 1ug2 n GLY 52 Ca -0.01 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1ug2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 n ALA 53 N 1.04 4.96 -2.49 4.61 0.00 0.26 -4.14 120.51 124.75 1ug2 n ALA 53 Ca 0.00 -3.83 -0.25 0.00 0.00 0.00 0.00 53.44 49.36 1ug2 n ALA 53 Cb 0.00 -3.56 -0.10 0.00 0.00 0.00 0.00 19.45 15.79 1ug2 n ALA 53 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ug2 s GLN 54 N 3.56 1.76 0.00 0.00 -2.07 -1.26 -5.01 119.66 116.64 1ug2 s GLN 54 Ca 0.49 -1.58 0.22 0.00 -1.82 0.00 0.00 55.36 52.67 1ug2 s GLN 54 Cb 0.12 -1.90 0.93 0.00 -1.09 0.00 0.00 33.01 31.07 1ug2 s GLN 54 CO -0.04 0.37 1.70 -0.35 -1.32 0.00 0.00 175.29 175.65 1ug2 n PRO 55 N -0.28 0.00 0.06 9.60 -0.04 -1.26 -2.15 135.00 140.93 1ug2 n PRO 55 Ca -0.08 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 1ug2 n PRO 55 Cb 0.58 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.70 1ug2 n PRO 55 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1ug2 h HIS 56 N 0.00 0.00 0.08 0.54 2.76 -1.95 -3.33 115.15 113.25 1ug2 h HIS 56 Ca 0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.84 1ug2 h HIS 56 Cb 0.37 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1ug2 h HIS 56 CO 0.00 0.00 -1.81 1.15 -1.30 0.00 0.00 177.93 175.97 1ug2 h THR 57 N 0.00 0.80 -0.33 6.26 2.02 -1.74 -3.34 112.91 116.58 1ug2 h THR 57 Ca 0.00 -2.56 0.10 0.00 0.77 0.00 0.00 66.41 64.72 1ug2 h THR 57 Cb 0.75 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 1ug2 h THR 57 CO 0.00 0.73 0.44 -0.26 0.37 0.00 0.00 175.52 176.79 1ug2 h PHE 58 N 0.04 0.00 0.00 3.16 0.04 -1.64 1.41 116.94 119.95 1ug2 h PHE 58 Ca -0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.43 1ug2 h PHE 58 Cb 2.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.17 1ug2 h PHE 58 CO 0.04 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.78 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.87 -1.73 -1.91 113.55 112.95 1ug2 h SER 59 Ca 0.16 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.61 1ug2 h SER 59 Cb 1.03 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1ug2 h SER 59 CO -0.00 0.00 -0.79 0.58 -0.53 0.00 0.00 176.83 176.09 1ug2 h VAL 60 N 0.00 0.62 -0.76 2.23 2.07 0.17 -3.34 116.25 117.24 1ug2 h VAL 60 Ca 0.00 -1.71 0.08 0.00 0.82 0.00 0.00 66.70 65.89 1ug2 h VAL 60 Cb 0.72 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 1ug2 h VAL 60 CO 0.00 0.21 0.50 0.40 0.02 0.00 0.00 177.57 178.70 1ug2 h ILE 61 N -1.00 0.99 -0.56 4.57 2.04 -1.43 -1.02 117.51 121.09 1ug2 h ILE 61 Ca -0.17 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.55 1ug2 h ILE 61 Cb 0.91 0.17 -0.10 0.00 -0.74 0.00 0.00 36.82 37.06 1ug2 h ILE 61 CO -0.10 0.14 -0.02 -1.28 0.00 0.00 0.00 178.15 176.88 1ug2 h SER 62 N 0.75 -0.28 -0.32 1.72 0.87 -1.50 0.28 113.55 115.08 1ug2 h SER 62 Ca 0.34 0.14 -0.18 0.00 -1.23 0.00 0.00 61.79 60.86 1ug2 h SER 62 Cb 0.34 0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1ug2 h SER 62 CO -0.12 -0.11 -0.48 1.56 -0.53 0.00 0.00 176.83 177.15 1ug2 h GLN 63 N 0.10 0.90 -0.98 2.24 4.20 -1.36 -2.74 115.11 117.47 1ug2 h GLN 63 Ca 0.29 -0.53 0.11 0.00 0.06 0.00 0.00 58.65 58.58 1ug2 h GLN 63 Cb 0.45 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.20 1ug2 h GLN 63 CO -0.49 1.17 0.62 1.96 -0.67 0.00 0.00 178.83 181.43 1ug2 h GLN 64 N 0.71 0.97 0.18 1.46 1.08 0.13 -1.61 115.11 118.02 1ug2 h GLN 64 Ca 0.03 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1ug2 h GLN 64 Cb 1.09 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1ug2 h GLN 64 CO 0.11 0.64 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.45 1ug2 h LEU 65 N 1.00 -0.29 0.00 1.46 3.38 -0.40 -3.48 115.31 116.98 1ug2 h LEU 65 Ca 0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1ug2 h LEU 65 Cb 0.43 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ug2 h LEU 65 CO -0.23 -0.19 0.00 0.61 0.09 0.00 0.00 178.44 178.72 1ug2 n GLY 66 N -1.23 3.31 0.49 0.83 0.00 -0.61 -4.84 105.19 103.14 1ug2 n GLY 66 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ug2 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ug2 n ASN 67 N 0.00 0.00 -4.84 1.61 2.85 -1.26 -4.90 115.26 108.72 1ug2 n ASN 67 Ca 0.00 -1.64 -0.32 0.00 -0.11 0.00 0.00 54.58 52.51 1ug2 n ASN 67 Cb 0.00 -0.13 -0.04 0.00 1.24 0.00 0.00 39.78 40.85 1ug2 n ASN 67 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1ug2 s LYS 68 N 0.00 4.01 0.30 1.20 2.47 -1.04 -5.05 119.74 121.62 1ug2 s LYS 68 Ca 0.00 0.97 0.07 0.00 -1.56 0.00 0.00 55.97 55.46 1ug2 s LYS 68 Cb 0.00 -2.16 -0.03 0.00 -1.46 0.00 0.00 37.83 34.18 1ug2 s LYS 68 CO 0.00 -0.20 0.24 0.95 0.16 0.00 0.00 175.35 176.49 1ug2 s THR 69 N -2.51 3.90 -0.43 3.43 -4.23 -1.26 -4.17 115.64 110.38 1ug2 s THR 69 Ca 0.59 -1.42 0.26 0.00 -1.18 0.00 0.00 61.69 59.95 1ug2 s THR 69 Cb -0.10 -3.26 0.31 0.00 1.34 0.00 0.00 72.50 70.79 1ug2 s THR 69 CO 0.27 -0.26 1.77 1.55 -0.54 0.00 0.00 174.62 177.41 1ug2 h PRO 70 N 1.38 0.00 0.00 3.99 0.13 -1.92 -0.37 132.00 135.22 1ug2 h PRO 70 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1ug2 h PRO 70 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1ug2 h PRO 70 CO 0.60 0.00 -0.63 -0.24 -0.23 0.00 0.00 178.00 177.49 1ug2 h VAL 71 N 0.00 0.84 0.10 1.56 3.04 -1.95 -2.97 116.25 116.87 1ug2 h VAL 71 Ca 0.00 -2.22 -0.36 0.00 -1.01 0.00 0.00 66.70 63.11 1ug2 h VAL 71 Cb 0.63 2.38 -0.02 0.00 -2.01 0.00 0.00 31.29 32.27 1ug2 h VAL 71 CO 0.00 0.48 -1.99 -0.62 -1.01 0.00 0.00 177.57 174.43 1ug2 n GLU 72 N -3.18 0.73 0.17 4.17 -0.58 -1.03 -3.33 120.64 117.58 1ug2 n GLU 72 Ca 0.01 0.28 0.10 0.00 -0.42 0.00 0.00 57.16 57.12 1ug2 n GLU 72 Cb 0.75 -1.69 0.61 0.00 -0.57 0.00 0.00 31.44 30.55 1ug2 n GLU 72 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ug2 h VAL 73 N -0.06 0.97 0.02 2.62 2.07 -1.18 0.23 116.25 120.92 1ug2 h VAL 73 Ca -0.44 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ug2 h VAL 73 Cb 1.94 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1ug2 h VAL 73 CO 0.03 0.02 -0.01 -1.28 0.02 0.00 0.00 177.57 176.35 1ug2 h SER 74 N 0.09 -0.02 0.07 0.57 0.87 -1.66 -0.24 113.55 113.24 1ug2 h SER 74 Ca 0.07 -0.62 -0.01 0.00 -1.23 0.00 0.00 61.79 60.00 1ug2 h SER 74 Cb 0.18 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1ug2 h SER 74 CO -0.01 0.63 -0.04 0.45 -0.53 0.00 0.00 176.83 177.32 1ug2 h HIS 75 N -0.68 0.00 0.09 2.24 -0.00 -1.38 -0.33 115.15 115.10 1ug2 h HIS 75 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 60.11 1ug2 h HIS 75 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.05 1ug2 h HIS 75 CO 0.15 0.04 -1.17 -0.09 -0.00 0.00 0.00 177.93 176.86 1ug2 h ARG 76 N 0.00 0.22 -0.05 2.45 9.65 -0.50 -2.67 114.38 123.49 1ug2 h ARG 76 Ca -0.00 -0.36 -0.01 0.00 -1.10 0.00 0.00 59.98 58.50 1ug2 h ARG 76 Cb 0.09 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1ug2 h ARG 76 CO 0.01 1.16 -0.02 0.35 2.80 0.00 0.00 179.97 184.27 1ug2 h PHE 77 N 0.07 0.11 0.00 2.20 3.57 0.43 -0.22 116.94 123.09 1ug2 h PHE 77 Ca -0.10 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1ug2 h PHE 77 Cb 1.90 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.62 1ug2 h PHE 77 CO 0.05 0.47 0.00 0.07 -2.23 0.00 0.00 178.31 176.67 1ug2 h ARG 78 N -0.29 0.00 0.00 1.11 -0.00 -1.23 -2.97 114.38 111.00 1ug2 h ARG 78 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.99 1ug2 h ARG 78 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 1ug2 h ARG 78 CO 0.01 0.00 -0.00 0.93 -0.00 0.00 0.00 179.97 180.91 1ug2 h GLU 79 N 0.00 -0.00 -1.36 0.08 4.39 -1.22 -0.88 114.58 115.59 1ug2 h GLU 79 Ca 0.00 0.00 0.41 0.00 0.34 0.00 0.00 59.36 60.11 1ug2 h GLU 79 Cb 0.40 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.96 1ug2 h GLU 79 CO 0.00 0.92 0.93 -0.07 -1.16 0.00 0.00 179.01 179.63 1ug2 h LEU 80 N -0.97 0.18 0.00 1.33 3.38 -0.88 1.53 115.31 119.88 1ug2 h LEU 80 Ca -0.00 0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.79 1ug2 h LEU 80 Cb 0.92 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1ug2 h LEU 80 CO 0.00 -0.06 -1.68 0.23 0.09 0.00 0.00 178.44 177.03 1ug2 n MET 81 N -4.42 0.63 0.10 1.13 2.81 -1.21 -3.43 117.12 112.74 1ug2 n MET 81 Ca 0.34 0.22 -0.01 0.00 -1.81 0.00 0.00 57.70 56.43 1ug2 n MET 81 Cb 1.40 -1.76 0.25 0.00 -0.71 0.00 0.00 33.22 32.40 1ug2 n MET 81 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 1ug2 h GLN 82 N 0.00 0.23 -0.02 0.03 5.75 0.34 -0.28 115.11 121.16 1ug2 h GLN 82 Ca -0.26 -0.10 -0.26 0.00 -0.15 0.00 0.00 58.65 57.88 1ug2 h GLN 82 Cb 1.84 -0.01 0.02 0.00 1.07 0.00 0.00 27.48 30.41 1ug2 h GLN 82 CO 0.06 0.58 -1.00 1.37 -2.65 0.00 0.00 178.83 177.19 1ug2 h LEU 83 N 0.20 0.86 0.09 -2.39 8.10 -0.12 -3.13 115.31 118.91 1ug2 h LEU 83 Ca 0.02 -0.68 -0.00 0.00 0.11 0.00 0.00 57.88 57.33 1ug2 h LEU 83 Cb 0.76 -0.26 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 1ug2 h LEU 83 CO 0.06 1.48 -0.04 -0.26 -4.11 0.00 0.00 178.44 175.56 1ug2 h PHE 84 N 0.39 -0.11 -0.36 0.17 0.04 -1.53 -2.95 116.94 112.60 1ug2 h PHE 84 Ca -0.11 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.70 1ug2 h PHE 84 Cb 1.65 0.04 -0.07 0.00 2.20 0.00 0.00 35.95 39.76 1ug2 h PHE 84 CO 0.09 0.14 -0.47 0.45 -0.60 0.00 0.00 178.31 177.93 1ug2 h HIS 85 N -0.35 -1.43 -3.31 -0.55 3.86 -1.14 -3.38 115.15 108.85 1ug2 h HIS 85 Ca -0.01 0.07 -0.52 0.00 -1.16 0.00 0.00 60.37 58.75 1ug2 h HIS 85 Cb 0.30 0.67 -0.39 0.00 1.06 0.00 0.00 27.41 29.05 1ug2 h HIS 85 CO 0.00 -0.41 -0.78 0.99 0.86 0.00 0.00 177.93 178.60 1ug2 s THR 86 N -5.19 0.76 0.17 2.45 2.01 -1.18 -5.12 115.64 109.54 1ug2 s THR 86 Ca -0.12 -0.51 0.09 0.00 0.31 0.00 0.00 61.69 61.46 1ug2 s THR 86 Cb 0.07 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1ug2 s THR 86 CO 0.51 -0.01 -0.12 0.00 -0.69 0.00 0.00 174.62 174.31 1ug2 s ALA 87 N 1.77 2.87 0.20 7.40 0.00 -1.12 -4.53 121.76 128.36 1ug2 s ALA 87 Ca 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.36 1ug2 s ALA 87 Cb -0.16 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1ug2 s ALA 87 CO -0.07 0.50 0.48 0.00 0.00 0.00 0.00 175.76 176.66 1ug2 n GLU 89 N -0.33 -4.71 -3.12 0.00 2.13 -1.26 -5.04 120.64 108.31 1ug2 n GLU 89 Ca -0.08 3.46 0.03 0.00 0.66 0.00 0.00 57.16 61.23 1ug2 n GLU 89 Cb 0.62 -3.85 -0.00 0.00 0.27 0.00 0.00 31.44 28.48 1ug2 n GLU 89 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1ug2 s SER 90 N -2.71 -1.24 0.00 4.31 1.04 -1.26 -4.91 113.70 108.94 1ug2 s SER 90 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1ug2 s SER 90 Cb 0.00 1.69 0.00 0.00 0.10 0.00 0.00 66.02 67.81 1ug2 s SER 90 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1ug2 n GLY 91 N 4.88 0.99 3.81 7.32 0.00 -1.26 -5.16 105.19 115.78 1ug2 n GLY 91 Ca 0.08 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1ug2 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug2 s PRO 92 N -2.00 3.40 -0.24 1.61 0.04 -1.26 -5.07 135.00 131.48 1ug2 s PRO 92 Ca 0.00 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 62.11 1ug2 s PRO 92 Cb 0.00 -2.05 0.10 0.00 0.04 0.00 0.00 34.50 32.59 1ug2 s PRO 92 CO 0.00 -0.74 0.54 -1.54 0.04 0.00 0.00 177.00 175.29 1ug2 s SER 93 N -2.82 -0.70 0.60 6.66 1.04 -1.26 -5.16 113.70 112.06 1ug2 s SER 93 Ca 0.63 1.25 -0.07 0.00 0.48 0.00 0.00 55.95 58.23 1ug2 s SER 93 Cb -0.15 1.55 -0.00 0.00 0.10 0.00 0.00 66.02 67.51 1ug2 s SER 93 CO 0.36 -0.22 0.94 -0.44 0.98 0.00 0.00 173.24 174.86 1ug2 s SER 94 N 2.31 5.71 0.00 7.02 0.01 -1.26 -5.31 113.70 122.18 1ug2 s SER 94 Ca -0.06 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1ug2 s SER 94 Cb -0.10 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.23 1ug2 s SER 94 CO -0.16 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.06