#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug2 n PRO 2 N 0.00 -2.21 0.00 1.61 -0.04 -1.26 -5.09 135.00 128.00 1ug2 n PRO 2 Ca 0.00 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1ug2 n PRO 2 Cb 0.00 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 1ug2 n PRO 2 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug2 n SER 3 N -4.36 0.00 0.00 3.54 2.88 -1.26 -5.18 113.62 109.24 1ug2 n SER 3 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1ug2 n SER 3 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1ug2 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug2 n GLY 4 N -0.01 3.48 1.02 0.46 0.00 -1.26 -5.16 105.19 103.72 1ug2 n GLY 4 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.93 1ug2 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ug2 n SER 5 N 0.00 -5.53 -3.62 1.61 2.88 -1.26 -5.09 113.62 102.62 1ug2 n SER 5 Ca 0.00 1.13 0.02 0.00 -1.33 0.00 0.00 58.87 58.69 1ug2 n SER 5 Cb 0.00 -3.27 -0.00 0.00 -0.75 0.00 0.00 64.21 60.19 1ug2 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ug2 s SER 6 N -5.47 -0.04 0.00 -3.46 0.15 -1.26 -5.19 113.70 98.42 1ug2 s SER 6 Ca 0.00 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1ug2 s SER 6 Cb 0.00 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1ug2 s SER 6 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1ug2 n GLY 7 N -0.52 3.74 3.84 9.45 0.00 -1.26 -5.19 105.19 115.25 1ug2 n GLY 7 Ca -0.08 -1.35 0.02 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.66 -2.29 0.00 4.61 0.00 -1.26 -5.19 121.76 115.97 1ug2 s ALA 8 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1ug2 s ALA 8 Cb 0.00 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1ug2 s ALA 8 CO 0.00 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1ug2 n GLY 9 N -0.73 3.21 3.61 0.00 0.00 -1.26 -5.19 105.19 104.84 1ug2 n GLY 9 Ca -0.02 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 1ug2 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 s ALA 10 N -2.00 -2.03 0.15 4.61 0.00 -1.26 -5.16 121.76 116.07 1ug2 s ALA 10 Ca 0.00 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1ug2 s ALA 10 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1ug2 s ALA 10 CO 0.00 -0.30 0.00 1.47 0.00 0.00 0.00 175.76 176.93 1ug2 n LEU 11 N 0.56 -0.27 -4.79 0.00 -0.00 -1.26 -5.00 117.00 106.25 1ug2 n LEU 11 Ca -0.05 0.60 -0.29 0.00 -0.00 0.00 0.00 56.01 56.28 1ug2 n LEU 11 Cb 0.58 -0.68 0.13 0.00 -0.00 0.00 0.00 43.42 43.46 1ug2 n LEU 11 CO 0.11 -0.49 0.71 -2.16 -0.00 0.00 0.00 177.39 175.57 1ug2 s PRO 12 N -3.41 1.19 0.06 1.47 0.04 -1.26 -5.20 135.00 127.89 1ug2 s PRO 12 Ca 0.00 0.31 -0.17 0.00 0.04 0.00 0.00 61.00 61.18 1ug2 s PRO 12 Cb 0.00 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1ug2 s PRO 12 CO 0.00 -2.17 0.39 0.21 0.04 0.00 0.00 177.00 175.47 1ug2 s LYS 13 N -5.27 0.93 -0.30 4.56 2.20 -1.26 -5.17 119.74 115.44 1ug2 s LYS 13 Ca 0.64 -0.48 -0.21 0.00 -0.36 0.00 0.00 55.97 55.56 1ug2 s LYS 13 Cb -0.15 0.41 0.20 0.00 -1.51 0.00 0.00 37.83 36.79 1ug2 s LYS 13 CO 0.53 -0.33 1.39 0.00 -0.36 0.00 0.00 175.35 176.58 1ug2 s ALA 14 N -2.81 -2.45 0.09 3.13 0.00 -1.26 -5.17 121.76 113.28 1ug2 s ALA 14 Ca -0.03 1.80 0.09 0.00 0.00 0.00 0.00 51.96 53.82 1ug2 s ALA 14 Cb -0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1ug2 s ALA 14 CO -0.05 -0.19 -0.21 0.45 0.00 0.00 0.00 175.76 175.76 1ug2 s SER 15 N 0.47 3.65 -0.81 0.00 0.15 -1.26 -5.07 113.70 110.82 1ug2 s SER 15 Ca 0.01 -0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.11 1ug2 s SER 15 Cb -0.04 -0.46 0.26 0.00 -1.71 0.00 0.00 66.02 64.07 1ug2 s SER 15 CO -0.13 0.21 0.94 -0.62 1.20 0.00 0.00 173.24 174.84 1ug2 n GLU 16 N 1.19 3.05 -3.61 5.44 -0.58 -1.26 -5.00 120.64 119.87 1ug2 n GLU 16 Ca -0.16 -4.60 -0.02 0.00 -0.42 0.00 0.00 57.16 51.95 1ug2 n GLU 16 Cb 0.52 -2.36 -0.01 0.00 -0.57 0.00 0.00 31.44 29.02 1ug2 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ug2 s ALA 17 N -2.32 -2.07 0.05 0.62 0.00 -1.26 -5.12 121.76 111.66 1ug2 s ALA 17 Ca 0.34 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 1ug2 s ALA 17 Cb 0.07 0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.31 1ug2 s ALA 17 CO -0.01 -0.83 1.83 -0.08 0.00 0.00 0.00 175.76 176.67 1ug2 s THR 18 N -2.58 2.97 0.31 0.00 -1.32 -1.26 -4.94 115.64 108.82 1ug2 s THR 18 Ca 0.11 0.21 -0.14 0.00 -1.21 0.00 0.00 61.69 60.66 1ug2 s THR 18 Cb 0.01 -3.13 0.02 0.00 -1.51 0.00 0.00 72.50 67.89 1ug2 s THR 18 CO -0.04 -0.01 0.64 0.68 -2.21 0.00 0.00 174.62 173.68 1ug2 s VAL 19 N 3.61 0.00 -0.60 5.08 -7.23 -1.26 -5.11 120.40 114.90 1ug2 s VAL 19 Ca 0.82 -1.21 0.04 0.00 -1.81 0.00 0.00 61.98 59.83 1ug2 s VAL 19 Cb -0.42 -2.43 0.16 0.00 0.56 0.00 0.00 36.38 34.25 1ug2 s VAL 19 CO 0.37 0.00 0.41 0.00 -0.31 0.00 0.00 175.10 175.57 1ug2 n ALA 21 N 2.44 -2.39 0.00 0.00 0.00 -1.26 -5.12 120.51 114.18 1ug2 n ALA 21 Ca 0.19 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1ug2 n ALA 21 Cb 0.37 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 1.84 0.00 -4.50 0.00 2.85 -1.26 -5.10 115.26 109.09 1ug2 n ASN 22 Ca 0.08 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.13 1ug2 n ASN 22 Cb 0.65 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.63 1ug2 n ASN 22 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1ug2 s ASN 23 N 0.00 6.19 -0.45 1.20 2.47 -1.26 -4.83 114.94 118.25 1ug2 s ASN 23 Ca 0.00 -0.81 0.03 0.00 0.42 0.00 0.00 52.86 52.50 1ug2 s ASN 23 Cb 0.00 -2.48 0.19 0.00 -1.45 0.00 0.00 41.25 37.51 1ug2 s ASN 23 CO 0.00 -1.60 0.83 -0.55 -3.72 0.00 0.00 177.10 172.06 1ug2 s SER 24 N 3.74 -1.11 0.10 -4.21 0.15 -1.26 -5.00 113.70 106.10 1ug2 s SER 24 Ca 0.28 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.72 1ug2 s SER 24 Cb -0.12 1.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 1ug2 s SER 24 CO 0.11 -0.05 0.00 1.17 1.20 0.00 0.00 173.24 175.67 1ug2 n LYS 25 N 3.04 0.00 -3.41 5.44 0.00 -1.26 -5.11 118.16 116.86 1ug2 n LYS 25 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.40 1ug2 n LYS 25 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.55 1ug2 n LYS 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ug2 s VAL 26 N -1.84 -0.70 0.08 3.15 0.11 -1.26 -5.05 120.40 114.89 1ug2 s VAL 26 Ca 0.00 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1ug2 s VAL 26 Cb 0.00 -0.81 -0.17 0.00 -1.53 0.00 0.00 36.38 33.87 1ug2 s VAL 26 CO 0.00 -0.05 1.66 -1.28 -3.33 0.00 0.00 175.10 172.10 1ug2 h SER 27 N 8.14 -0.42 -2.58 3.54 0.87 -1.98 -3.43 113.55 117.69 1ug2 h SER 27 Ca -0.19 0.01 -0.48 0.00 -1.23 0.00 0.00 61.79 59.89 1ug2 h SER 27 Cb 1.14 0.11 0.23 0.00 -0.44 0.00 0.00 62.40 63.44 1ug2 h SER 27 CO 0.22 -0.29 -1.02 -1.20 -0.53 0.00 0.00 176.83 174.02 1ug2 n SER 28 N -5.30 -2.40 -4.10 6.23 7.64 -1.26 -4.98 113.62 109.44 1ug2 n SER 28 Ca -0.11 0.02 -0.16 0.00 1.01 0.00 0.00 58.87 59.63 1ug2 n SER 28 Cb 0.22 -1.01 -0.12 0.00 -1.01 0.00 0.00 64.21 62.29 1ug2 n SER 28 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ug2 s THR 29 N -2.27 0.83 -0.49 0.44 -1.32 -1.26 -5.07 115.64 106.50 1ug2 s THR 29 Ca 0.55 -1.04 -0.43 0.00 -1.21 0.00 0.00 61.69 59.55 1ug2 s THR 29 Cb -0.14 -0.81 -0.19 0.00 -1.51 0.00 0.00 72.50 69.85 1ug2 s THR 29 CO 0.67 -0.20 1.95 0.61 -2.21 0.00 0.00 174.62 175.44 1ug2 n GLY 30 N 1.65 -0.07 0.41 6.08 0.00 -1.26 -4.78 105.19 107.23 1ug2 n GLY 30 Ca -0.20 1.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.79 1ug2 n GLY 30 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ug2 h GLU 31 N 7.80 -0.12 -1.79 1.61 5.08 -2.04 -3.41 114.58 121.71 1ug2 h GLU 31 Ca -0.18 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1ug2 h GLU 31 Cb 1.37 0.03 -0.22 0.00 0.50 0.00 0.00 28.75 30.42 1ug2 h GLU 31 CO 1.03 -0.08 0.08 0.21 -1.00 0.00 0.00 179.01 179.26 1ug2 s LYS 32 N -5.72 0.56 -0.12 2.33 2.47 -1.26 -5.16 119.74 112.84 1ug2 s LYS 32 Ca -0.13 1.11 -0.02 0.00 -1.56 0.00 0.00 55.97 55.36 1ug2 s LYS 32 Cb 0.13 0.34 -0.03 0.00 -1.46 0.00 0.00 37.83 36.82 1ug2 s LYS 32 CO 0.65 -0.14 -0.04 0.54 0.16 0.00 0.00 175.35 176.52 1ug2 s VAL 33 N 1.98 3.86 0.00 4.02 0.11 -1.26 -4.83 120.40 124.28 1ug2 s VAL 33 Ca -0.08 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1ug2 s VAL 33 Cb -0.07 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 1ug2 s VAL 33 CO -0.18 0.54 0.00 0.55 -3.33 0.00 0.00 175.10 172.67 1ug2 n VAL 34 N 3.03 0.00 -0.02 2.04 3.14 -1.26 -4.97 118.33 120.29 1ug2 n VAL 34 Ca -0.18 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.00 1ug2 n VAL 34 Cb 0.53 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.17 1ug2 n VAL 34 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1ug2 h LEU 35 N 0.00 0.25 -9.81 6.55 3.38 -2.08 -3.46 115.31 110.13 1ug2 h LEU 35 Ca 0.00 -0.83 -0.55 0.00 0.09 0.00 0.00 57.88 56.59 1ug2 h LEU 35 Cb 0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1ug2 h LEU 35 CO 0.00 1.44 -0.55 0.26 0.09 0.00 0.00 178.44 179.68 1ug2 s TRP 36 N -2.40 3.15 0.00 1.13 0.52 -1.26 -5.13 118.94 114.95 1ug2 s TRP 36 Ca -0.20 -0.04 0.00 0.00 0.02 0.00 0.00 56.10 55.88 1ug2 s TRP 36 Cb 0.03 -1.49 0.00 0.00 -1.15 0.00 0.00 33.47 30.86 1ug2 s TRP 36 CO 0.73 0.52 0.00 0.25 0.02 0.00 0.00 176.95 178.47 1ug2 n THR 37 N -0.59 0.00 -0.05 2.01 -2.24 -1.26 -4.80 114.28 107.35 1ug2 n THR 37 Ca -0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 1ug2 n THR 37 Cb 0.56 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1ug2 n THR 37 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ug2 h ARG 38 N 0.00 0.00 -0.95 -0.78 9.65 -2.00 -3.19 114.38 117.11 1ug2 h ARG 38 Ca 0.00 0.00 0.18 0.00 -1.10 0.00 0.00 59.98 59.06 1ug2 h ARG 38 Cb 0.00 0.00 -0.18 0.00 -1.39 0.00 0.00 29.97 28.40 1ug2 h ARG 38 CO 0.00 0.00 -0.26 -1.91 2.80 0.00 0.00 179.97 180.60 1ug2 n GLU 39 N -4.02 -0.11 -0.15 0.20 2.13 -1.26 0.19 120.64 117.61 1ug2 n GLU 39 Ca -0.04 1.48 -0.05 0.00 0.66 0.00 0.00 57.16 59.21 1ug2 n GLU 39 Cb 0.14 -2.21 0.04 0.00 0.27 0.00 0.00 31.44 29.68 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ug2 h ALA 40 N 1.80 0.60 -0.50 4.31 0.00 -1.99 0.85 119.26 124.34 1ug2 h ALA 40 Ca 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1ug2 h ALA 40 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ug2 h ALA 40 CO -0.97 -0.08 0.23 0.22 0.00 0.00 0.00 179.25 178.64 1ug2 h ASP 41 N 0.50 0.66 0.30 0.00 3.58 0.21 -2.49 116.42 119.19 1ug2 h ASP 41 Ca 0.20 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1ug2 h ASP 41 Cb 0.08 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1ug2 h ASP 41 CO -0.12 0.62 -0.15 0.03 -2.88 0.00 0.00 179.24 176.74 1ug2 h ARG 42 N 0.66 -0.39 -0.90 0.28 3.08 0.22 -1.84 114.38 115.49 1ug2 h ARG 42 Ca 0.17 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.43 1ug2 h ARG 42 Cb 0.14 0.09 -0.17 0.00 0.08 0.00 0.00 29.97 30.11 1ug2 h ARG 42 CO -0.02 -0.17 -0.22 0.28 -1.07 0.00 0.00 179.97 178.76 1ug2 h VAL 43 N -0.54 0.10 0.34 2.04 2.07 0.83 0.61 116.25 121.71 1ug2 h VAL 43 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1ug2 h VAL 43 Cb 0.40 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1ug2 h VAL 43 CO 0.07 0.00 -0.25 0.40 0.02 0.00 0.00 177.57 177.80 1ug2 h ILE 44 N -0.00 0.46 -0.41 4.57 2.04 -1.23 1.49 117.51 124.43 1ug2 h ILE 44 Ca 0.43 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.41 1ug2 h ILE 44 Cb 0.65 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1ug2 h ILE 44 CO -0.92 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 177.61 1ug2 h LEU 45 N -0.59 0.00 0.00 1.44 3.38 0.60 1.33 115.31 121.47 1ug2 h LEU 45 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1ug2 h LEU 45 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1ug2 h LEU 45 CO 0.00 0.00 -0.66 0.74 0.09 0.00 0.00 178.44 178.61 1ug2 h THR 46 N 0.00 0.96 0.46 0.22 2.02 0.20 -3.21 112.91 113.56 1ug2 h THR 46 Ca 0.19 -1.95 -0.02 0.00 0.77 0.00 0.00 66.41 65.40 1ug2 h THR 46 Cb 1.10 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1ug2 h THR 46 CO -0.00 0.33 -0.22 0.24 0.37 0.00 0.00 175.52 176.24 1ug2 h MET 47 N -1.00 -0.59 -0.12 6.66 2.86 0.33 0.91 114.93 123.98 1ug2 h MET 47 Ca -0.16 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1ug2 h MET 47 Cb 0.98 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1ug2 h MET 47 CO -0.10 -0.31 0.34 0.00 1.06 0.00 0.00 176.91 177.90 1ug2 h GLN 49 N 0.00 0.00 1.00 0.00 5.75 -1.36 1.06 115.11 121.55 1ug2 h GLN 49 Ca 0.06 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1ug2 h GLN 49 Cb 0.73 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.29 1ug2 h GLN 49 CO -0.00 0.00 -0.49 1.49 -2.65 0.00 0.00 178.83 177.18 1ug2 h GLU 50 N -0.52 -1.30 -0.11 1.69 4.57 0.14 -3.04 114.58 116.00 1ug2 h GLU 50 Ca 0.00 0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.14 1ug2 h GLU 50 Cb 0.18 0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1ug2 h GLU 50 CO 0.00 -0.87 -0.50 1.96 -1.18 0.00 0.00 179.01 178.42 1ug2 h GLN 51 N -1.35 0.29 0.00 1.92 1.08 0.11 -3.49 115.11 113.66 1ug2 h GLN 51 Ca -0.14 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 1ug2 h GLN 51 Cb 1.04 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1ug2 h GLN 51 CO 0.22 0.73 0.00 0.41 -0.95 0.00 0.00 178.83 179.24 1ug2 n GLY 52 N 0.05 2.66 3.52 3.46 0.00 -0.09 -4.84 105.19 109.94 1ug2 n GLY 52 Ca -0.02 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 0.91 2.41 -2.41 4.61 0.00 0.36 -4.28 120.51 122.10 1ug2 n ALA 53 Ca 0.00 -3.24 -0.20 0.00 0.00 0.00 0.00 53.44 50.00 1ug2 n ALA 53 Cb 0.00 -3.52 -0.11 0.00 0.00 0.00 0.00 19.45 15.82 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 5.78 1.26 0.00 0.00 -2.07 -1.26 -5.01 119.66 118.36 1ug2 s GLN 54 Ca 0.64 -1.46 0.23 0.00 -1.82 0.00 0.00 55.36 52.95 1ug2 s GLN 54 Cb 0.02 -1.17 1.29 0.00 -1.09 0.00 0.00 33.01 32.06 1ug2 s GLN 54 CO 0.12 0.22 1.76 -0.35 -1.32 0.00 0.00 175.29 175.72 1ug2 n PRO 55 N 0.02 0.54 0.04 9.60 -0.04 -1.26 -2.07 135.00 141.83 1ug2 n PRO 55 Ca -0.11 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1ug2 n PRO 55 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1ug2 n PRO 55 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ug2 n HIS 56 N -1.14 0.40 0.04 0.54 8.25 -1.26 -4.13 115.22 117.93 1ug2 n HIS 56 Ca 0.14 0.12 -0.21 0.00 -0.26 0.00 0.00 57.72 57.51 1ug2 n HIS 56 Cb 0.13 -0.57 -0.14 0.00 1.12 0.00 0.00 29.99 30.53 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 0.00 0.83 -0.85 1.59 2.02 -1.71 -3.34 112.91 111.45 1ug2 h THR 57 Ca 0.00 -2.49 0.24 0.00 0.77 0.00 0.00 66.41 64.94 1ug2 h THR 57 Cb 0.82 2.64 -0.03 0.00 -1.74 0.00 0.00 68.15 69.83 1ug2 h THR 57 CO 0.00 0.85 0.61 -0.26 0.37 0.00 0.00 175.52 177.09 1ug2 h PHE 58 N 0.08 0.01 0.00 3.16 0.04 -1.70 1.47 116.94 120.00 1ug2 h PHE 58 Ca -0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.41 1ug2 h PHE 58 Cb 2.06 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.21 1ug2 h PHE 58 CO 0.08 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.82 1ug2 h SER 59 N 0.00 0.00 0.01 2.17 0.87 -1.74 -0.09 113.55 114.77 1ug2 h SER 59 Ca 0.40 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.67 1ug2 h SER 59 Cb 1.61 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.53 1ug2 h SER 59 CO -0.01 0.00 -1.61 0.52 -0.53 0.00 0.00 176.83 175.21 1ug2 n VAL 60 N -2.65 1.55 -0.30 2.23 0.31 0.49 -3.93 118.33 116.02 1ug2 n VAL 60 Ca 0.02 -0.15 -0.03 0.00 -0.01 0.00 0.00 64.34 64.18 1ug2 n VAL 60 Cb 0.30 -1.98 0.09 0.00 -0.91 0.00 0.00 33.84 31.34 1ug2 n VAL 60 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ug2 h ILE 61 N -0.93 1.17 -0.66 2.52 2.04 -1.11 -0.15 117.51 120.39 1ug2 h ILE 61 Ca -0.44 -0.37 0.14 0.00 1.00 0.00 0.00 64.86 65.19 1ug2 h ILE 61 Cb 1.42 -0.01 -0.10 0.00 -0.74 0.00 0.00 36.82 37.39 1ug2 h ILE 61 CO -0.24 0.20 0.10 -1.28 0.00 0.00 0.00 178.15 176.92 1ug2 h SER 62 N 1.08 -0.09 0.08 1.72 0.87 -1.19 0.70 113.55 116.72 1ug2 h SER 62 Ca 0.32 0.14 -0.15 0.00 -1.23 0.00 0.00 61.79 60.87 1ug2 h SER 62 Cb -0.05 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1ug2 h SER 62 CO -0.09 -0.05 -0.52 1.56 -0.53 0.00 0.00 176.83 177.19 1ug2 h GLN 63 N 0.21 0.48 -0.42 2.24 4.20 -1.47 -2.91 115.11 117.43 1ug2 h GLN 63 Ca 0.35 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1ug2 h GLN 63 Cb 0.58 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1ug2 h GLN 63 CO -0.49 0.89 0.17 1.96 -0.67 0.00 0.00 178.83 180.69 1ug2 h GLN 64 N 0.38 0.64 -0.35 1.46 1.08 0.11 -2.83 115.11 115.59 1ug2 h GLN 64 Ca 0.01 -0.12 0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1ug2 h GLN 64 Cb 1.04 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 28.31 1ug2 h GLN 64 CO 0.09 0.59 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.48 1ug2 h LEU 65 N 0.54 -0.18 0.00 1.46 3.38 0.32 -3.47 115.31 117.36 1ug2 h LEU 65 Ca 0.14 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ug2 h LEU 65 Cb 0.20 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ug2 h LEU 65 CO -0.01 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.07 1ug2 n GLY 66 N -1.26 2.87 0.47 0.83 0.00 -1.07 -4.83 105.19 102.21 1ug2 n GLY 66 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.81 1.61 2.85 -1.25 -4.86 115.26 108.79 1ug2 n ASN 67 Ca 0.00 -1.66 -0.33 0.00 -0.11 0.00 0.00 54.58 52.49 1ug2 n ASN 67 Cb 0.00 -0.13 0.00 0.00 1.24 0.00 0.00 39.78 40.89 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 3.46 0.25 1.20 2.47 -1.11 -5.05 119.74 120.95 1ug2 s LYS 68 Ca 0.00 1.16 0.01 0.00 -1.56 0.00 0.00 55.97 55.58 1ug2 s LYS 68 Cb 0.00 -2.05 -0.04 0.00 -1.46 0.00 0.00 37.83 34.28 1ug2 s LYS 68 CO 0.00 -0.69 0.42 0.95 0.16 0.00 0.00 175.35 176.19 1ug2 s THR 69 N -2.47 5.20 -0.55 3.43 -4.23 -1.26 -4.36 115.64 111.39 1ug2 s THR 69 Ca 0.63 -0.58 0.25 0.00 -1.18 0.00 0.00 61.69 60.82 1ug2 s THR 69 Cb -0.15 -3.81 0.28 0.00 1.34 0.00 0.00 72.50 70.17 1ug2 s THR 69 CO 0.35 -0.33 1.75 1.55 -0.54 0.00 0.00 174.62 177.41 1ug2 h PRO 70 N 1.42 0.00 0.13 3.99 0.13 -1.94 -1.70 132.00 134.03 1ug2 h PRO 70 Ca -0.50 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.42 1ug2 h PRO 70 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1ug2 h PRO 70 CO 0.64 0.00 -0.98 -0.24 -0.23 0.00 0.00 178.00 177.19 1ug2 h VAL 71 N 0.00 1.37 -0.25 1.56 3.04 -1.94 -3.21 116.25 116.83 1ug2 h VAL 71 Ca 0.00 -2.49 -0.08 0.00 -1.01 0.00 0.00 66.70 63.12 1ug2 h VAL 71 Cb 0.58 3.05 -0.01 0.00 -2.01 0.00 0.00 31.29 32.90 1ug2 h VAL 71 CO 0.00 0.71 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.78 1ug2 h GLU 72 N -0.37 0.54 -0.90 4.17 4.39 -1.95 -1.51 114.58 118.94 1ug2 h GLU 72 Ca -0.19 -0.25 0.20 0.00 0.34 0.00 0.00 59.36 59.46 1ug2 h GLU 72 Cb 1.67 -0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 30.19 1ug2 h GLU 72 CO 0.12 0.82 0.44 0.28 -1.16 0.00 0.00 179.01 179.50 1ug2 h VAL 73 N 0.25 0.56 -0.07 3.13 2.07 -1.44 0.57 116.25 121.32 1ug2 h VAL 73 Ca 0.05 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1ug2 h VAL 73 Cb 0.67 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1ug2 h VAL 73 CO 0.04 0.09 -0.10 -1.28 0.02 0.00 0.00 177.57 176.35 1ug2 h SER 74 N 0.50 0.21 -0.26 0.57 0.87 -1.52 -2.25 113.55 111.67 1ug2 h SER 74 Ca 0.55 -0.52 0.08 0.00 -1.23 0.00 0.00 61.79 60.66 1ug2 h SER 74 Cb 0.97 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 1ug2 h SER 74 CO -0.47 0.69 0.24 0.45 -0.53 0.00 0.00 176.83 177.20 1ug2 h HIS 75 N -0.26 0.00 0.02 2.24 -0.00 0.13 0.19 115.15 117.47 1ug2 h HIS 75 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.13 1ug2 h HIS 75 Cb 0.64 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.06 1ug2 h HIS 75 CO 0.10 0.00 -1.02 -0.09 -0.00 0.00 0.00 177.93 176.92 1ug2 h ARG 76 N 0.00 0.48 0.23 2.45 9.65 0.26 -2.95 114.38 124.50 1ug2 h ARG 76 Ca 0.12 -0.54 -0.01 0.00 -1.10 0.00 0.00 59.98 58.45 1ug2 h ARG 76 Cb 0.60 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1ug2 h ARG 76 CO -0.00 1.19 -0.11 0.35 2.80 0.00 0.00 179.97 184.19 1ug2 h PHE 77 N 0.25 -0.29 -0.05 2.20 3.57 -0.09 0.57 116.94 123.10 1ug2 h PHE 77 Ca -0.10 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.40 1ug2 h PHE 77 Cb 1.67 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.50 1ug2 h PHE 77 CO 0.07 0.04 0.14 0.07 -2.23 0.00 0.00 178.31 176.41 1ug2 h ARG 78 N -0.65 0.00 0.00 1.11 -0.00 -1.26 -1.77 114.38 111.82 1ug2 h ARG 78 Ca -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.89 1ug2 h ARG 78 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.42 1ug2 h ARG 78 CO 0.05 0.00 -0.33 0.93 -0.00 0.00 0.00 179.97 180.62 1ug2 h GLU 79 N 0.00 0.00 -1.30 0.08 4.39 -1.30 -2.10 114.58 114.36 1ug2 h GLU 79 Ca 0.02 0.00 0.40 0.00 0.34 0.00 0.00 59.36 60.12 1ug2 h GLU 79 Cb 0.30 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.85 1ug2 h GLU 79 CO -0.00 0.90 0.86 -0.07 -1.16 0.00 0.00 179.01 179.54 1ug2 h LEU 80 N -1.00 0.24 0.01 1.33 3.38 0.00 1.50 115.31 120.77 1ug2 h LEU 80 Ca -0.09 0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 1ug2 h LEU 80 Cb 0.99 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1ug2 h LEU 80 CO -0.05 -0.08 -1.51 0.24 0.09 0.00 0.00 178.44 177.12 1ug2 h MET 81 N 0.14 0.02 -0.69 1.13 2.86 -1.57 -3.15 114.93 113.67 1ug2 h MET 81 Ca 0.75 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 58.33 1ug2 h MET 81 Cb 2.40 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 34.04 1ug2 h MET 81 CO -0.31 0.68 0.34 0.37 1.06 0.00 0.00 176.91 179.06 1ug2 h GLN 82 N 0.01 0.99 -0.11 1.72 4.15 0.27 0.72 115.11 122.85 1ug2 h GLN 82 Ca -0.21 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.04 1ug2 h GLN 82 Cb 1.95 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 29.45 1ug2 h GLN 82 CO 0.10 0.78 -0.05 1.37 -1.93 0.00 0.00 178.83 179.09 1ug2 h LEU 83 N 0.96 0.24 -0.15 -2.39 8.10 -0.80 -2.41 115.31 118.87 1ug2 h LEU 83 Ca 0.24 -0.41 0.04 0.00 0.11 0.00 0.00 57.88 57.86 1ug2 h LEU 83 Cb 0.11 -0.07 -0.05 0.00 -0.44 0.00 0.00 40.66 40.21 1ug2 h LEU 83 CO -0.03 0.60 -0.16 -0.26 -4.11 0.00 0.00 178.44 174.48 1ug2 h PHE 84 N -0.11 -0.40 0.18 0.17 0.04 -1.45 -1.19 116.94 114.18 1ug2 h PHE 84 Ca 0.03 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.82 1ug2 h PHE 84 Cb 0.51 0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.82 1ug2 h PHE 84 CO 0.07 -0.23 -0.46 0.45 -0.60 0.00 0.00 178.31 177.54 1ug2 h HIS 85 N -0.19 -1.33 -0.44 -0.55 3.86 -0.86 -2.86 115.15 112.79 1ug2 h HIS 85 Ca 0.10 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.38 1ug2 h HIS 85 Cb 0.33 0.56 -0.06 0.00 1.06 0.00 0.00 27.41 29.30 1ug2 h HIS 85 CO -0.28 -0.54 -0.34 1.15 0.86 0.00 0.00 177.93 178.78 1ug2 h THR 86 N -0.71 0.00 -5.33 2.45 2.02 -1.16 -3.46 112.91 106.70 1ug2 h THR 86 Ca -0.02 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 1ug2 h THR 86 Cb 0.69 0.00 0.06 0.00 -1.74 0.00 0.00 68.15 67.16 1ug2 h THR 86 CO -0.21 0.00 -0.27 0.00 0.37 0.00 0.00 175.52 175.41 1ug2 n ALA 87 N -3.05 -2.46 -3.72 6.16 0.00 -0.47 -5.03 120.51 111.93 1ug2 n ALA 87 Ca -0.00 0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 1ug2 n ALA 87 Cb 0.17 -2.80 -0.17 0.00 0.00 0.00 0.00 19.45 16.65 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 1.81 4.16 0.73 0.00 2.12 -1.26 -4.66 118.70 121.60 1ug2 s GLU 89 Ca 0.01 1.03 -0.09 0.00 0.36 0.00 0.00 54.97 56.29 1ug2 s GLU 89 Cb -0.12 -2.22 0.06 0.00 0.26 0.00 0.00 34.13 32.11 1ug2 s GLU 89 CO -0.04 -0.03 1.06 -1.54 -0.54 0.00 0.00 175.26 174.18 1ug2 s SER 90 N -2.29 4.85 0.19 -1.70 1.04 -1.26 -5.06 113.70 109.47 1ug2 s SER 90 Ca 0.60 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.67 1ug2 s SER 90 Cb -0.09 -1.28 0.01 0.00 0.10 0.00 0.00 66.02 64.75 1ug2 s SER 90 CO 0.16 -1.62 0.04 0.61 0.98 0.00 0.00 173.24 173.41 1ug2 n GLY 91 N -3.02 3.68 3.76 7.32 0.00 -1.26 -5.13 105.19 110.54 1ug2 n GLY 91 Ca 0.08 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.73 -0.56 -0.19 1.61 0.04 -1.26 -5.05 135.00 126.86 1ug2 s PRO 92 Ca 0.03 -0.34 -0.17 0.00 0.04 0.00 0.00 61.00 60.56 1ug2 s PRO 92 Cb -0.00 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.77 1ug2 s PRO 92 CO 0.02 -3.23 -0.35 0.43 0.04 0.00 0.00 177.00 173.92 1ug2 n SER 93 N -4.36 1.93 -3.66 6.66 7.64 -1.26 -5.03 113.62 115.54 1ug2 n SER 93 Ca 0.16 0.33 -0.07 0.00 1.01 0.00 0.00 58.87 60.30 1ug2 n SER 93 Cb 0.59 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 62.98 1ug2 n SER 93 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ug2 s SER 94 N -6.13 -0.81 0.00 6.43 0.15 -1.26 -5.36 113.70 106.72 1ug2 s SER 94 Ca -0.30 1.32 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1ug2 s SER 94 Cb 0.05 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.77 1ug2 s SER 94 CO 0.43 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.26