#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug2 h PRO 2 N 0.00 0.34 -3.11 1.61 0.13 -2.15 -3.50 132.00 125.32 1ug2 h PRO 2 Ca 0.00 -0.33 0.32 0.00 -0.87 0.00 0.00 66.00 65.12 1ug2 h PRO 2 Cb 0.00 0.09 -0.14 0.00 0.13 0.00 0.00 31.00 31.08 1ug2 h PRO 2 CO 0.00 1.00 -0.88 0.43 -0.23 0.00 0.00 178.00 178.32 1ug2 n SER 3 N -4.35 -7.33 -1.53 1.44 7.64 -1.26 -5.02 113.62 103.22 1ug2 n SER 3 Ca -0.09 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1ug2 n SER 3 Cb 0.58 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.42 1ug2 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug2 n GLY 4 N -4.05 4.15 3.30 0.23 0.00 -1.26 -5.18 105.19 102.38 1ug2 n GLY 4 Ca -0.05 -1.96 -0.16 0.00 0.00 0.00 0.00 46.02 43.86 1ug2 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug2 s SER 5 N -0.98 1.09 0.73 1.61 0.01 -1.26 -5.16 113.70 109.73 1ug2 s SER 5 Ca 0.00 -1.41 -0.08 0.00 1.31 0.00 0.00 55.95 55.77 1ug2 s SER 5 Cb 0.00 0.22 0.06 0.00 0.21 0.00 0.00 66.02 66.51 1ug2 s SER 5 CO 0.00 -0.77 1.05 -0.44 0.41 0.00 0.00 173.24 173.50 1ug2 s SER 6 N -3.30 4.78 0.00 2.44 0.01 -1.26 -5.10 113.70 111.27 1ug2 s SER 6 Ca 0.38 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1ug2 s SER 6 Cb 0.07 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.12 1ug2 s SER 6 CO 0.14 -1.65 0.00 0.61 0.41 0.00 0.00 173.24 172.75 1ug2 n GLY 7 N -3.01 3.27 3.63 3.44 0.00 -1.26 -5.18 105.19 106.08 1ug2 n GLY 7 Ca 0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 1ug2 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 s ALA 8 N -2.00 -2.15 0.46 4.61 0.00 -1.26 -5.19 121.76 116.23 1ug2 s ALA 8 Ca 0.00 1.85 0.04 0.00 0.00 0.00 0.00 51.96 53.85 1ug2 s ALA 8 Cb 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 1ug2 s ALA 8 CO 0.00 -0.46 0.02 0.20 0.00 0.00 0.00 175.76 175.51 1ug2 s GLY 9 N -1.74 2.75 -0.38 0.00 0.00 -1.26 -5.09 107.32 101.59 1ug2 s GLY 9 Ca 0.10 -1.37 0.10 0.00 0.00 0.00 0.00 44.72 43.56 1ug2 s GLY 9 CO -0.04 -2.14 0.70 0.00 0.00 0.00 0.00 173.10 171.62 1ug2 n ALA 10 N -1.13 1.83 -2.96 3.20 0.00 -1.26 -5.10 120.51 115.10 1ug2 n ALA 10 Ca -0.12 -3.22 -0.10 0.00 0.00 0.00 0.00 53.44 50.01 1ug2 n ALA 10 Cb 0.67 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 1ug2 n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ug2 s LEU 11 N -2.04 0.57 0.22 0.00 1.02 -1.26 -4.56 118.68 112.62 1ug2 s LEU 11 Ca 0.37 -0.50 0.09 0.00 0.02 0.00 0.00 54.13 54.10 1ug2 s LEU 11 Cb 0.29 1.68 0.15 0.00 0.02 0.00 0.00 46.19 48.33 1ug2 s LEU 11 CO -0.09 -0.89 1.49 1.55 0.02 0.00 0.00 176.35 178.43 1ug2 h PRO 12 N 2.41 0.02 -4.46 1.29 0.13 -2.09 -3.51 132.00 125.80 1ug2 h PRO 12 Ca -0.32 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1ug2 h PRO 12 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ug2 h PRO 12 CO 0.46 0.77 -0.97 1.17 -0.23 0.00 0.00 178.00 179.20 1ug2 n LYS 13 N -3.65 -5.54 -4.11 0.86 3.00 -1.26 -5.06 118.16 102.40 1ug2 n LYS 13 Ca -0.01 3.94 -0.13 0.00 -0.00 0.00 0.00 58.31 62.11 1ug2 n LYS 13 Cb 0.73 -4.42 -0.11 0.00 0.00 0.00 0.00 35.03 31.23 1ug2 n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ug2 s ALA 14 N -0.54 0.79 0.26 3.14 0.00 -1.26 -5.16 121.76 118.98 1ug2 s ALA 14 Ca 0.00 -1.00 0.12 0.00 0.00 0.00 0.00 51.96 51.08 1ug2 s ALA 14 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1ug2 s ALA 14 CO 0.00 -0.07 -0.19 0.45 0.00 0.00 0.00 175.76 175.94 1ug2 s SER 15 N -2.12 3.65 0.12 0.00 0.15 -1.26 -5.15 113.70 109.09 1ug2 s SER 15 Ca -0.01 -0.96 0.06 0.00 0.70 0.00 0.00 55.95 55.73 1ug2 s SER 15 Cb -0.05 -0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 1ug2 s SER 15 CO -0.01 0.05 0.01 -1.61 1.20 0.00 0.00 173.24 172.89 1ug2 s GLU 16 N -3.35 2.54 -0.15 5.44 2.02 -1.26 -5.05 118.70 118.89 1ug2 s GLU 16 Ca 0.28 -0.91 -0.15 0.00 0.02 0.00 0.00 54.97 54.21 1ug2 s GLU 16 Cb -0.06 -2.50 -0.06 0.00 0.10 0.00 0.00 34.13 31.61 1ug2 s GLU 16 CO 0.14 0.51 -0.30 0.00 0.02 0.00 0.00 175.26 175.64 1ug2 n ALA 17 N 0.29 1.23 -1.62 5.21 0.00 -1.26 -5.12 120.51 119.24 1ug2 n ALA 17 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1ug2 n ALA 17 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1ug2 n ALA 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ug2 n THR 18 N -4.29 -3.76 -3.61 0.00 -1.04 -1.26 -5.07 114.28 95.26 1ug2 n THR 18 Ca -0.16 1.81 -0.10 0.00 -2.04 0.00 0.00 64.05 63.55 1ug2 n THR 18 Cb 0.49 -2.78 -0.06 0.00 -1.82 0.00 0.00 70.33 66.16 1ug2 n THR 18 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ug2 s VAL 19 N -4.85 0.00 0.36 12.58 0.11 -1.26 -5.14 120.40 122.20 1ug2 s VAL 19 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1ug2 s VAL 19 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1ug2 s VAL 19 CO 0.00 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.77 1ug2 s ALA 21 N -4.41 -1.09 0.34 0.00 0.00 -1.26 -5.18 121.76 110.16 1ug2 s ALA 21 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.10 1ug2 s ALA 21 Cb 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1ug2 s ALA 21 CO 0.00 -0.68 0.44 1.21 0.00 0.00 0.00 175.76 176.73 1ug2 s ASN 22 N -2.79 5.83 0.50 0.00 3.84 -1.26 -5.13 114.94 115.93 1ug2 s ASN 22 Ca 0.03 -0.25 0.03 0.00 0.21 0.00 0.00 52.86 52.87 1ug2 s ASN 22 Cb 0.01 -1.17 -0.01 0.00 -0.55 0.00 0.00 41.25 39.53 1ug2 s ASN 22 CO -0.12 -0.43 0.10 0.20 -2.79 0.00 0.00 177.10 174.07 1ug2 s ASN 23 N -4.14 4.24 0.15 -4.21 -0.87 -1.26 -5.15 114.94 103.69 1ug2 s ASN 23 Ca 0.44 -1.49 0.11 0.00 -1.57 0.00 0.00 52.86 50.35 1ug2 s ASN 23 Cb -0.09 0.33 -0.04 0.00 -0.02 0.00 0.00 41.25 41.43 1ug2 s ASN 23 CO 0.30 -0.84 -0.26 -0.94 -2.57 0.00 0.00 177.10 172.79 1ug2 s SER 24 N -3.95 3.29 0.23 -1.22 1.04 -1.26 -5.14 113.70 106.69 1ug2 s SER 24 Ca 0.17 -0.78 -0.12 0.00 0.48 0.00 0.00 55.95 55.71 1ug2 s SER 24 Cb 0.02 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.91 1ug2 s SER 24 CO 0.10 0.15 0.44 -0.75 0.98 0.00 0.00 173.24 174.16 1ug2 s LYS 25 N -2.22 1.47 -0.28 4.02 2.47 -1.26 -5.14 119.74 118.79 1ug2 s LYS 25 Ca 0.15 -1.23 0.00 0.00 -1.56 0.00 0.00 55.97 53.33 1ug2 s LYS 25 Cb -0.09 0.45 0.15 0.00 -1.46 0.00 0.00 37.83 36.88 1ug2 s LYS 25 CO 0.07 -0.60 0.37 0.08 0.16 0.00 0.00 175.35 175.44 1ug2 s VAL 26 N -4.01 -0.57 -0.08 4.02 1.01 -1.26 -5.13 120.40 114.38 1ug2 s VAL 26 Ca 0.22 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1ug2 s VAL 26 Cb 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1ug2 s VAL 26 CO 0.07 -0.29 0.20 -0.55 0.00 0.00 0.00 175.10 174.53 1ug2 s SER 27 N 2.50 -0.20 0.99 3.32 0.15 -1.26 -5.15 113.70 114.05 1ug2 s SER 27 Ca 0.10 0.40 -0.15 0.00 0.70 0.00 0.00 55.95 57.00 1ug2 s SER 27 Cb -0.13 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.53 1ug2 s SER 27 CO -0.27 -0.10 -0.02 -0.24 1.20 0.00 0.00 173.24 173.80 1ug2 n SER 28 N 3.49 -3.07 0.03 5.45 2.88 -1.26 -4.97 113.62 116.17 1ug2 n SER 28 Ca -0.18 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1ug2 n SER 28 Cb 0.56 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1ug2 n SER 28 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ug2 n THR 29 N -3.47 0.28 0.00 2.46 -2.24 -1.26 -4.76 114.28 105.28 1ug2 n THR 29 Ca 0.03 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1ug2 n THR 29 Cb 0.56 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1ug2 n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ug2 n GLY 30 N 2.53 1.78 3.79 3.38 0.00 -1.03 -0.18 105.19 115.46 1ug2 n GLY 30 Ca 0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1ug2 n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ug2 s GLU 31 N 0.00 2.92 0.55 1.61 2.02 -1.26 -4.79 118.70 119.74 1ug2 s GLU 31 Ca 0.00 1.23 -0.00 0.00 0.02 0.00 0.00 54.97 56.22 1ug2 s GLU 31 Cb 0.00 -1.98 0.03 0.00 0.10 0.00 0.00 34.13 32.28 1ug2 s GLU 31 CO 0.00 -1.14 0.79 0.15 0.02 0.00 0.00 175.26 175.08 1ug2 s LYS 32 N -4.34 2.64 -0.17 1.61 1.02 -1.26 -5.10 119.74 114.14 1ug2 s LYS 32 Ca 0.64 -0.61 -0.04 0.00 0.02 0.00 0.00 55.97 55.97 1ug2 s LYS 32 Cb -0.18 -2.45 0.06 0.00 -0.52 0.00 0.00 37.83 34.74 1ug2 s LYS 32 CO 0.44 -0.68 0.08 0.54 -0.92 0.00 0.00 175.35 174.81 1ug2 s VAL 33 N -2.79 0.05 0.00 3.17 0.11 -1.26 -4.97 120.40 114.72 1ug2 s VAL 33 Ca 0.55 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1ug2 s VAL 33 Cb -0.10 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1ug2 s VAL 33 CO 0.39 -0.25 0.00 1.33 -3.33 0.00 0.00 175.10 173.25 1ug2 n VAL 34 N 5.23 0.00 0.02 2.04 0.24 -1.26 -4.84 118.33 119.75 1ug2 n VAL 34 Ca -0.07 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.20 1ug2 n VAL 34 Cb 0.49 -1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 31.81 1ug2 n VAL 34 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1ug2 h LEU 35 N 0.00 -0.31-10.38 1.34 6.46 -2.07 -3.41 115.31 106.93 1ug2 h LEU 35 Ca 0.00 0.03 -0.49 0.00 -0.12 0.00 0.00 57.88 57.30 1ug2 h LEU 35 Cb 0.88 0.12 0.12 0.00 -0.73 0.00 0.00 40.66 41.04 1ug2 h LEU 35 CO 0.00 -0.10 0.33 0.26 -0.62 0.00 0.00 178.44 178.30 1ug2 s TRP 36 N -3.52 2.78 0.26 1.25 0.52 -1.26 -5.08 118.94 113.89 1ug2 s TRP 36 Ca -0.03 1.23 0.00 0.00 0.02 0.00 0.00 56.10 57.32 1ug2 s TRP 36 Cb 0.01 -3.09 -0.00 0.00 -1.15 0.00 0.00 33.47 29.24 1ug2 s TRP 36 CO 0.12 -1.79 0.01 -2.37 0.02 0.00 0.00 176.95 172.94 1ug2 n THR 37 N -3.46 0.00 -0.03 2.01 5.66 -1.26 -4.97 114.28 112.22 1ug2 n THR 37 Ca 0.07 -1.25 -0.01 0.00 -3.05 0.00 0.00 64.05 59.80 1ug2 n THR 37 Cb 0.56 0.28 -0.00 0.00 -1.55 0.00 0.00 70.33 69.61 1ug2 n THR 37 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1ug2 h ARG 38 N 0.00 0.00 -0.95 1.09 9.65 -1.97 -3.09 114.38 119.10 1ug2 h ARG 38 Ca -0.21 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.75 1ug2 h ARG 38 Cb 0.66 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.13 1ug2 h ARG 38 CO 0.35 0.00 -0.56 0.39 2.80 0.00 0.00 179.97 182.95 1ug2 n GLU 39 N -3.37 -0.42 -0.31 0.20 1.02 -1.26 0.19 120.64 116.70 1ug2 n GLU 39 Ca -0.02 1.45 0.05 0.00 -0.02 0.00 0.00 57.16 58.61 1ug2 n GLU 39 Cb 0.08 -2.13 0.19 0.00 -0.02 0.00 0.00 31.44 29.57 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ug2 h ALA 40 N 0.47 1.28 -0.82 0.62 0.00 -1.99 1.51 119.26 120.33 1ug2 h ALA 40 Ca 0.15 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1ug2 h ALA 40 Cb 0.39 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ug2 h ALA 40 CO -0.90 0.09 0.37 -0.44 0.00 0.00 0.00 179.25 178.38 1ug2 h ASP 41 N 0.81 1.10 -0.01 0.00 3.32 0.15 -2.17 116.42 119.62 1ug2 h ASP 41 Ca 0.43 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1ug2 h ASP 41 Cb 0.45 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1ug2 h ASP 41 CO -0.27 0.94 -0.03 0.03 -1.72 0.00 0.00 179.24 178.19 1ug2 h ARG 42 N 1.18 0.03 -0.81 3.56 3.08 0.48 -3.11 114.38 118.78 1ug2 h ARG 42 Ca 0.28 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.46 1ug2 h ARG 42 Cb 0.15 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.06 1ug2 h ARG 42 CO -0.03 0.65 -0.27 0.28 -1.07 0.00 0.00 179.97 179.53 1ug2 h VAL 43 N -0.58 0.14 -0.82 2.04 2.07 0.21 1.32 116.25 120.63 1ug2 h VAL 43 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1ug2 h VAL 43 Cb 0.65 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.47 1ug2 h VAL 43 CO 0.01 0.00 0.42 0.40 0.02 0.00 0.00 177.57 178.41 1ug2 h ILE 44 N -0.03 0.75 -0.61 4.57 2.04 -1.43 1.54 117.51 124.34 1ug2 h ILE 44 Ca 0.36 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 1ug2 h ILE 44 Cb 0.60 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1ug2 h ILE 44 CO -0.85 0.11 0.11 -0.07 0.00 0.00 0.00 178.15 177.46 1ug2 h LEU 45 N 0.62 0.92 -0.01 1.44 3.38 0.15 0.39 115.31 122.20 1ug2 h LEU 45 Ca 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1ug2 h LEU 45 Cb 0.59 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ug2 h LEU 45 CO -0.34 0.91 -0.02 0.74 0.09 0.00 0.00 178.44 179.81 1ug2 h THR 46 N 0.92 1.45 0.91 0.22 2.02 0.33 -1.62 112.91 117.13 1ug2 h THR 46 Ca 0.19 -1.35 -0.04 0.00 0.77 0.00 0.00 66.41 65.98 1ug2 h THR 46 Cb 0.38 2.33 0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1ug2 h THR 46 CO 0.01 0.36 -0.44 0.24 0.37 0.00 0.00 175.52 176.05 1ug2 h MET 47 N -0.51 -1.18 0.00 6.66 2.86 0.21 1.05 114.93 124.02 1ug2 h MET 47 Ca 0.00 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1ug2 h MET 47 Cb 0.59 0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1ug2 h MET 47 CO 0.01 -0.78 0.18 0.00 1.06 0.00 0.00 176.91 177.37 1ug2 h GLN 49 N 0.00 0.00 0.58 0.00 4.15 -0.33 1.49 115.11 121.00 1ug2 h GLN 49 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1ug2 h GLN 49 Cb 0.36 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.05 1ug2 h GLN 49 CO 0.00 0.00 -0.28 1.49 -1.93 0.00 0.00 178.83 178.11 1ug2 h GLU 50 N -0.61 -0.75 -0.27 1.69 4.22 0.16 -3.23 114.58 115.80 1ug2 h GLU 50 Ca 0.00 0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.45 1ug2 h GLU 50 Cb 0.10 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1ug2 h GLU 50 CO 0.00 -0.50 -0.01 1.96 -2.18 0.00 0.00 179.01 178.28 1ug2 h GLN 51 N -1.21 0.41 -0.20 1.92 1.08 0.14 -3.49 115.11 113.76 1ug2 h GLN 51 Ca -0.08 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1ug2 h GLN 51 Cb 0.60 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1ug2 h GLN 51 CO 0.13 0.45 0.00 0.41 -0.95 0.00 0.00 178.83 178.87 1ug2 n GLY 52 N -0.98 0.41 3.37 3.46 0.00 -0.23 -4.90 105.19 106.31 1ug2 n GLY 52 Ca 0.01 -1.10 -0.54 0.00 0.00 0.00 0.00 46.02 44.39 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 2.47 0.67 -2.14 4.61 0.00 0.51 -4.70 120.51 121.92 1ug2 n ALA 53 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1ug2 n ALA 53 Cb 0.00 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.00 1ug2 n ALA 53 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ug2 s GLN 54 N 6.32 0.87 0.37 0.00 -1.52 -1.26 -5.03 119.66 119.40 1ug2 s GLN 54 Ca 1.15 -1.40 0.20 0.00 -1.95 0.00 0.00 55.36 53.36 1ug2 s GLN 54 Cb -1.14 0.20 0.54 0.00 -0.22 0.00 0.00 33.01 32.39 1ug2 s GLN 54 CO 0.56 -0.22 1.66 -1.00 -0.25 0.00 0.00 175.29 176.04 1ug2 h PRO 55 N 2.92 0.00 0.06 2.91 0.13 -1.98 -3.21 132.00 132.83 1ug2 h PRO 55 Ca -0.35 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.42 1ug2 h PRO 55 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1ug2 h PRO 55 CO 0.61 0.35 -2.06 0.72 -0.23 0.00 0.00 178.00 177.39 1ug2 n HIS 56 N -3.35 0.77 -0.32 1.56 8.25 -1.26 -4.27 115.22 116.60 1ug2 n HIS 56 Ca 0.01 0.20 0.16 0.00 -0.26 0.00 0.00 57.72 57.83 1ug2 n HIS 56 Cb 0.56 -1.10 0.32 0.00 1.12 0.00 0.00 29.99 30.90 1ug2 n HIS 56 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1ug2 h THR 57 N -0.23 0.15 -1.19 1.59 2.02 -1.87 1.52 112.91 114.89 1ug2 h THR 57 Ca -0.48 -0.03 0.35 0.00 0.77 0.00 0.00 66.41 67.01 1ug2 h THR 57 Cb 1.84 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 1ug2 h THR 57 CO -0.06 0.02 0.88 -0.26 0.37 0.00 0.00 175.52 176.47 1ug2 h PHE 58 N 0.09 0.00 0.00 3.16 0.04 -1.73 1.52 116.94 120.01 1ug2 h PHE 58 Ca 0.61 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.38 1ug2 h PHE 58 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1ug2 h PHE 58 CO -0.34 0.00 0.00 0.77 -0.60 0.00 0.00 178.31 178.14 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.02 0.19 0.24 113.55 116.17 1ug2 h SER 59 Ca 0.57 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.34 1ug2 h SER 59 Cb 2.33 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.84 1ug2 h SER 59 CO -0.01 0.00 -1.03 0.58 -1.14 0.00 0.00 176.83 175.24 1ug2 h VAL 60 N 0.00 0.94 -0.12 2.27 2.07 0.20 -3.30 116.25 118.32 1ug2 h VAL 60 Ca 0.00 -2.09 0.02 0.00 0.82 0.00 0.00 66.70 65.45 1ug2 h VAL 60 Cb 0.02 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1ug2 h VAL 60 CO 0.00 0.32 -0.04 0.40 0.02 0.00 0.00 177.57 178.27 1ug2 h ILE 61 N -1.00 0.86 -0.84 4.57 2.04 -1.31 0.31 117.51 122.14 1ug2 h ILE 61 Ca -0.27 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.80 1ug2 h ILE 61 Cb 1.19 0.86 -0.14 0.00 -0.74 0.00 0.00 36.82 37.99 1ug2 h ILE 61 CO -0.17 0.00 0.17 -1.28 0.00 0.00 0.00 178.15 176.88 1ug2 h SER 62 N -0.02 -0.08 -0.11 1.72 0.87 -0.74 1.57 113.55 116.76 1ug2 h SER 62 Ca 0.06 0.19 -0.19 0.00 -1.23 0.00 0.00 61.79 60.62 1ug2 h SER 62 Cb 0.11 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1ug2 h SER 62 CO -0.13 -0.14 -0.65 1.56 -0.53 0.00 0.00 176.83 176.94 1ug2 h GLN 63 N 0.19 0.73 0.00 2.24 4.20 -1.40 -2.43 115.11 118.63 1ug2 h GLN 63 Ca 0.50 -0.52 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1ug2 h GLN 63 Cb 0.97 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1ug2 h GLN 63 CO -0.64 1.14 -0.24 1.96 -0.67 0.00 0.00 178.83 180.37 1ug2 h GLN 64 N 0.53 0.00 0.10 1.46 4.20 0.36 -3.01 115.11 118.76 1ug2 h GLN 64 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ug2 h GLN 64 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1ug2 h GLN 64 CO 0.13 0.24 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.42 1ug2 h LEU 65 N 0.00 -0.11 0.00 1.46 3.38 0.22 -3.50 115.31 116.76 1ug2 h LEU 65 Ca -0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1ug2 h LEU 65 Cb 0.57 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1ug2 h LEU 65 CO 0.03 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1ug2 n GLY 66 N 0.59 1.55 0.00 0.83 0.00 -0.93 -4.79 105.19 102.44 1ug2 n GLY 66 Ca -0.08 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.66 1ug2 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ug2 n ASN 67 N 0.00 1.84 -4.25 1.61 4.13 -1.26 -4.81 115.26 112.53 1ug2 n ASN 67 Ca 0.00 -0.22 -0.36 0.00 1.68 0.00 0.00 54.58 55.68 1ug2 n ASN 67 Cb 0.00 1.38 0.06 0.00 -1.54 0.00 0.00 39.78 39.67 1ug2 n ASN 67 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1ug2 n LYS 68 N -1.72 0.03 -4.18 3.52 3.00 -1.25 -4.98 118.16 112.57 1ug2 n LYS 68 Ca -0.01 0.03 -0.22 0.00 -0.00 0.00 0.00 58.31 58.11 1ug2 n LYS 68 Cb 0.26 -1.37 -0.06 0.00 0.00 0.00 0.00 35.03 33.87 1ug2 n LYS 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1ug2 s THR 69 N -2.05 3.89 -0.46 3.15 -4.23 -1.26 -4.60 115.64 110.09 1ug2 s THR 69 Ca 0.53 -1.64 0.26 0.00 -1.18 0.00 0.00 61.69 59.66 1ug2 s THR 69 Cb -0.29 -3.13 0.30 0.00 1.34 0.00 0.00 72.50 70.72 1ug2 s THR 69 CO 0.70 -0.34 1.77 1.55 -0.54 0.00 0.00 174.62 177.75 1ug2 h PRO 70 N 1.65 0.00 0.05 3.99 0.13 -1.93 -1.12 132.00 134.77 1ug2 h PRO 70 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 1ug2 h PRO 70 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1ug2 h PRO 70 CO 0.61 0.00 -1.57 -0.24 -0.23 0.00 0.00 178.00 176.57 1ug2 h VAL 71 N 0.00 1.06 0.01 1.56 3.04 -1.94 -3.32 116.25 116.65 1ug2 h VAL 71 Ca 0.00 -2.81 -0.02 0.00 -1.01 0.00 0.00 66.70 62.85 1ug2 h VAL 71 Cb 0.62 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.50 1ug2 h VAL 71 CO 0.00 0.71 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.85 1ug2 h GLU 72 N 0.03 0.05 -0.96 4.17 4.39 -1.93 -3.10 114.58 117.23 1ug2 h GLU 72 Ca -0.24 -0.06 0.31 0.00 0.34 0.00 0.00 59.36 59.71 1ug2 h GLU 72 Cb 1.97 0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 30.48 1ug2 h GLU 72 CO 0.11 0.89 0.38 0.28 -1.16 0.00 0.00 179.01 179.51 1ug2 h VAL 73 N -0.75 0.19 -0.07 3.13 2.07 -1.37 0.81 116.25 120.26 1ug2 h VAL 73 Ca -0.01 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1ug2 h VAL 73 Cb 0.92 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1ug2 h VAL 73 CO 0.02 0.03 0.03 -1.28 0.02 0.00 0.00 177.57 176.38 1ug2 h SER 74 N 0.16 0.09 -0.42 0.57 0.87 -1.65 0.38 113.55 113.54 1ug2 h SER 74 Ca 0.69 -0.17 0.12 0.00 -1.23 0.00 0.00 61.79 61.20 1ug2 h SER 74 Cb 1.58 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.50 1ug2 h SER 74 CO -0.71 0.24 0.37 0.45 -0.53 0.00 0.00 176.83 176.64 1ug2 h HIS 75 N -0.06 0.00 0.18 2.24 -0.00 0.62 0.30 115.15 118.42 1ug2 h HIS 75 Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 60.37 60.08 1ug2 h HIS 75 Cb 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1ug2 h HIS 75 CO -0.02 0.00 -1.42 -0.09 -0.00 0.00 0.00 177.93 176.40 1ug2 h ARG 76 N 0.00 0.38 -0.30 2.45 9.65 -0.14 -2.83 114.38 123.58 1ug2 h ARG 76 Ca 0.20 -0.64 -0.07 0.00 -1.10 0.00 0.00 59.98 58.37 1ug2 h ARG 76 Cb 0.93 0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.74 1ug2 h ARG 76 CO -0.00 1.29 -0.07 0.35 2.80 0.00 0.00 179.97 184.34 1ug2 h PHE 77 N 0.10 0.66 0.00 2.20 3.57 0.16 0.40 116.94 124.03 1ug2 h PHE 77 Ca -0.21 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.11 1ug2 h PHE 77 Cb 2.06 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.64 1ug2 h PHE 77 CO 0.09 0.77 -0.18 0.07 -2.23 0.00 0.00 178.31 176.83 1ug2 h ARG 78 N 0.36 0.00 0.01 1.11 -0.00 -0.72 -2.54 114.38 112.60 1ug2 h ARG 78 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.03 1ug2 h ARG 78 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.53 1ug2 h ARG 78 CO 0.03 0.18 -0.10 0.93 -0.00 0.00 0.00 179.97 181.01 1ug2 h GLU 79 N 0.00 0.05 0.01 0.08 4.39 -1.21 -2.87 114.58 115.02 1ug2 h GLU 79 Ca -0.00 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.66 1ug2 h GLU 79 Cb 0.55 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 1ug2 h GLU 79 CO 0.02 0.96 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.34 1ug2 h LEU 80 N -0.83 -1.30 -0.71 1.33 3.38 -0.80 0.52 115.31 116.90 1ug2 h LEU 80 Ca -0.02 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ug2 h LEU 80 Cb 1.01 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1ug2 h LEU 80 CO 0.02 -0.46 0.00 0.23 0.09 0.00 0.00 178.44 178.31 1ug2 n MET 81 N -5.45 0.08 -0.02 1.13 2.81 -0.97 -2.03 117.12 112.67 1ug2 n MET 81 Ca -0.06 0.53 -0.12 0.00 -1.81 0.00 0.00 57.70 56.24 1ug2 n MET 81 Cb 0.37 -1.74 -0.10 0.00 -0.71 0.00 0.00 33.22 31.04 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 -0.06 -0.41 0.03 4.15 0.24 -1.53 115.11 117.54 1ug2 h GLN 82 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1ug2 h GLN 82 Cb 0.06 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1ug2 h GLN 82 CO 0.00 0.58 0.18 1.37 -1.93 0.00 0.00 178.83 179.03 1ug2 h LEU 83 N -0.83 0.55 -0.24 -2.39 8.10 -0.71 0.16 115.31 119.95 1ug2 h LEU 83 Ca -0.01 -0.15 0.02 0.00 0.11 0.00 0.00 57.88 57.85 1ug2 h LEU 83 Cb 0.67 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.73 1ug2 h LEU 83 CO 0.01 0.55 0.11 -0.26 -4.11 0.00 0.00 178.44 174.73 1ug2 h PHE 84 N 0.51 0.19 0.90 0.17 0.04 -1.53 -2.24 116.94 114.99 1ug2 h PHE 84 Ca 0.14 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 1ug2 h PHE 84 Cb 0.16 -0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.27 1ug2 h PHE 84 CO -0.01 0.10 -0.43 0.45 -0.60 0.00 0.00 178.31 177.83 1ug2 h HIS 85 N 0.23 -1.12 -3.14 -0.55 3.86 -1.05 -3.42 115.15 109.96 1ug2 h HIS 85 Ca 0.10 -0.03 -0.48 0.00 -1.16 0.00 0.00 60.37 58.81 1ug2 h HIS 85 Cb 0.05 0.37 -0.41 0.00 1.06 0.00 0.00 27.41 28.48 1ug2 h HIS 85 CO -0.11 -0.70 -0.76 0.99 0.86 0.00 0.00 177.93 178.22 1ug2 s THR 86 N -5.47 0.14 0.44 2.45 2.01 0.54 -5.09 115.64 110.68 1ug2 s THR 86 Ca -0.18 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1ug2 s THR 86 Cb 0.02 -0.74 -0.00 0.00 0.01 0.00 0.00 72.50 71.79 1ug2 s THR 86 CO 0.53 -0.25 0.02 0.00 -0.69 0.00 0.00 174.62 174.23 1ug2 n ALA 87 N 5.19 0.40 -3.60 7.40 0.00 -0.85 -4.16 120.51 124.89 1ug2 n ALA 87 Ca -0.08 -2.01 -0.08 0.00 0.00 0.00 0.00 53.44 51.27 1ug2 n ALA 87 Cb 0.48 1.13 -0.05 0.00 0.00 0.00 0.00 19.45 21.00 1ug2 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug2 s GLU 89 N -0.74 4.27 0.09 0.00 2.12 -1.26 -4.82 118.70 118.35 1ug2 s GLU 89 Ca 0.02 1.29 -0.26 0.00 0.36 0.00 0.00 54.97 56.38 1ug2 s GLU 89 Cb -0.02 -2.42 0.08 0.00 0.26 0.00 0.00 34.13 32.03 1ug2 s GLU 89 CO -0.03 -0.01 0.75 0.45 -0.54 0.00 0.00 175.26 175.88 1ug2 s SER 90 N -1.86 -0.46 -0.39 -1.70 0.15 0.75 -5.02 113.70 105.17 1ug2 s SER 90 Ca 0.58 -0.03 -0.00 0.00 0.70 0.00 0.00 55.95 57.20 1ug2 s SER 90 Cb -0.15 0.50 -0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1ug2 s SER 90 CO 0.20 -0.82 0.36 0.61 1.20 0.00 0.00 173.24 174.80 1ug2 n GLY 91 N -0.32 -0.71 0.12 9.45 0.00 -1.26 -2.48 105.19 109.99 1ug2 n GLY 91 Ca -0.13 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1ug2 n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug2 h PRO 92 N 0.16 -0.17 -3.71 1.61 0.13 -1.95 -3.44 132.00 124.63 1ug2 h PRO 92 Ca -0.03 0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.94 1ug2 h PRO 92 Cb 1.01 0.04 -0.22 0.00 0.13 0.00 0.00 31.00 31.96 1ug2 h PRO 92 CO 0.16 0.24 -0.61 -1.54 -0.23 0.00 0.00 178.00 176.02 1ug2 s SER 93 N -5.54 0.09 -0.01 1.44 1.04 -1.26 -5.07 113.70 104.38 1ug2 s SER 93 Ca -0.11 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.02 1ug2 s SER 93 Cb -0.00 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1ug2 s SER 93 CO 0.41 -0.26 -0.12 -0.24 0.98 0.00 0.00 173.24 174.00 1ug2 n SER 94 N 1.88 1.32 0.00 7.02 2.88 -1.26 -5.26 113.62 120.20 1ug2 n SER 94 Ca -0.21 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1ug2 n SER 94 Cb 0.56 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1ug2 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42