#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 -0.49 0.26 1.61 0.04 -1.26 -5.10 135.00 130.06 1ug2 s PRO 2 Ca 0.00 -0.32 0.02 0.00 0.04 0.00 0.00 61.00 60.73 1ug2 s PRO 2 Cb 0.00 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1ug2 s PRO 2 CO 0.00 -3.18 0.16 0.45 0.04 0.00 0.00 177.00 174.47 1ug2 s SER 3 N -4.46 0.88 0.00 6.66 0.15 -1.26 -5.18 113.70 110.49 1ug2 s SER 3 Ca 0.74 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1ug2 s SER 3 Cb -0.05 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1ug2 s SER 3 CO 0.55 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1ug2 n GLY 4 N -0.43 4.86 3.51 9.45 0.00 -1.26 -5.19 105.19 116.13 1ug2 n GLY 4 Ca 0.03 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 1ug2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ug2 s SER 5 N 0.05 -0.15 0.18 1.61 0.15 -1.26 -5.18 113.70 109.10 1ug2 s SER 5 Ca 0.00 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1ug2 s SER 5 Cb 0.00 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 1ug2 s SER 5 CO 0.00 -1.05 0.06 -0.94 1.20 0.00 0.00 173.24 172.51 1ug2 s SER 6 N -2.93 0.70 0.40 5.45 1.04 -1.26 -5.18 113.70 111.93 1ug2 s SER 6 Ca 0.14 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.32 1ug2 s SER 6 Cb -0.00 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 1ug2 s SER 6 CO 0.01 -0.71 0.06 0.61 0.98 0.00 0.00 173.24 174.19 1ug2 n GLY 7 N -0.24 3.52 3.42 7.32 0.00 -1.26 -5.17 105.19 112.78 1ug2 n GLY 7 Ca -0.03 -2.23 -0.14 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.84 -1.30 0.29 4.61 0.00 -1.26 -5.18 121.76 116.08 1ug2 s ALA 8 Ca 0.08 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.44 1ug2 s ALA 8 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1ug2 s ALA 8 CO 0.06 -0.26 0.17 0.41 0.00 0.00 0.00 175.76 176.13 1ug2 n GLY 9 N 2.44 3.29 3.58 0.00 0.00 -1.26 -5.18 105.19 108.06 1ug2 n GLY 9 Ca -0.15 -1.97 -0.06 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.97 -2.01 0.56 4.61 0.00 -1.26 -5.16 121.76 115.53 1ug2 s ALA 10 Ca 0.23 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1ug2 s ALA 10 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1ug2 s ALA 10 CO 0.17 -0.57 0.00 1.28 0.00 0.00 0.00 175.76 176.64 1ug2 n LEU 11 N -0.02 -0.95 0.00 0.00 4.32 -1.26 -5.02 117.00 114.08 1ug2 n LEU 11 Ca -0.02 2.20 -0.19 0.00 -0.02 0.00 0.00 56.01 57.97 1ug2 n LEU 11 Cb 0.59 -3.16 0.15 0.00 -1.62 0.00 0.00 43.42 39.37 1ug2 n LEU 11 CO 0.10 -2.17 0.49 -0.81 -1.22 0.00 0.00 177.39 173.78 1ug2 n PRO 12 N -4.19 -1.61 -3.79 3.23 -0.04 -1.26 -5.16 135.00 122.18 1ug2 n PRO 12 Ca -0.08 -1.24 -0.24 0.00 -0.04 0.00 0.00 63.50 61.90 1ug2 n PRO 12 Cb 0.64 -0.98 -0.17 0.00 -0.04 0.00 0.00 33.50 32.95 1ug2 n PRO 12 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ug2 s LYS 13 N -4.76 0.78 -0.28 0.54 1.02 -1.26 -5.11 119.74 110.67 1ug2 s LYS 13 Ca 0.48 -0.01 -0.18 0.00 0.02 0.00 0.00 55.97 56.28 1ug2 s LYS 13 Cb -0.03 -1.19 0.10 0.00 -0.52 0.00 0.00 37.83 36.20 1ug2 s LYS 13 CO 0.35 -0.33 0.82 0.00 -0.92 0.00 0.00 175.35 175.27 1ug2 s ALA 14 N 1.91 -2.00 -0.10 5.17 0.00 -1.26 -5.17 121.76 120.31 1ug2 s ALA 14 Ca 0.04 2.25 -0.25 0.00 0.00 0.00 0.00 51.96 54.01 1ug2 s ALA 14 Cb -0.13 -1.49 0.06 0.00 0.00 0.00 0.00 23.12 21.56 1ug2 s ALA 14 CO -0.06 -0.35 0.58 -1.54 0.00 0.00 0.00 175.76 174.39 1ug2 s SER 15 N 1.24 -0.56 0.78 0.00 1.04 -1.26 -5.17 113.70 109.77 1ug2 s SER 15 Ca -0.07 0.74 -0.12 0.00 0.48 0.00 0.00 55.95 56.98 1ug2 s SER 15 Cb -0.05 0.70 0.06 0.00 0.10 0.00 0.00 66.02 66.84 1ug2 s SER 15 CO -0.14 -0.46 1.13 -1.83 0.98 0.00 0.00 173.24 172.91 1ug2 s GLU 16 N -0.77 2.25 -0.19 4.02 1.03 -1.26 -5.08 118.70 118.71 1ug2 s GLU 16 Ca -0.08 0.38 -0.04 0.00 0.03 0.00 0.00 54.97 55.25 1ug2 s GLU 16 Cb -0.02 -1.96 0.09 0.00 -0.80 0.00 0.00 34.13 31.43 1ug2 s GLU 16 CO 0.06 -1.45 0.21 0.00 -1.33 0.00 0.00 175.26 172.76 1ug2 s ALA 17 N -3.37 -0.25 -0.27 -0.84 0.00 -1.26 -5.12 121.76 110.65 1ug2 s ALA 17 Ca 0.60 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.63 1ug2 s ALA 17 Cb -0.12 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1ug2 s ALA 17 CO 0.52 -1.13 0.70 0.95 0.00 0.00 0.00 175.76 176.79 1ug2 s THR 18 N 2.32 4.91 -0.22 0.00 -4.23 -1.26 -5.02 115.64 112.14 1ug2 s THR 18 Ca 0.06 1.17 -0.02 0.00 -1.18 0.00 0.00 61.69 61.73 1ug2 s THR 18 Cb -0.15 -4.02 0.07 0.00 1.34 0.00 0.00 72.50 69.73 1ug2 s THR 18 CO -0.11 -0.08 0.03 -0.69 -0.54 0.00 0.00 174.62 173.22 1ug2 s VAL 19 N 2.68 0.79 -0.20 2.29 1.01 -1.26 -5.10 120.40 120.61 1ug2 s VAL 19 Ca 0.29 -0.83 -0.36 0.00 0.00 0.00 0.00 61.98 61.08 1ug2 s VAL 19 Cb -0.15 -1.29 0.15 0.00 0.00 0.00 0.00 36.38 35.09 1ug2 s VAL 19 CO 0.10 -0.26 1.41 0.00 0.00 0.00 0.00 175.10 176.35 1ug2 s ALA 21 N -2.03 -1.99 -0.30 0.00 0.00 -1.26 -5.14 121.76 111.04 1ug2 s ALA 21 Ca 0.13 1.57 -0.19 0.00 0.00 0.00 0.00 51.96 53.48 1ug2 s ALA 21 Cb 0.03 -2.08 0.20 0.00 0.00 0.00 0.00 23.12 21.27 1ug2 s ALA 21 CO -0.04 -1.35 1.28 1.21 0.00 0.00 0.00 175.76 176.86 1ug2 s ASN 22 N 2.78 -0.11 -0.20 0.00 2.47 -1.26 -5.18 114.94 113.44 1ug2 s ASN 22 Ca 0.18 0.18 -0.36 0.00 0.42 0.00 0.00 52.86 53.29 1ug2 s ASN 22 Cb -0.15 0.79 0.15 0.00 -1.45 0.00 0.00 41.25 40.59 1ug2 s ASN 22 CO -0.20 -0.03 1.40 0.21 -3.72 0.00 0.00 177.10 174.76 1ug2 s ASN 23 N 0.77 -0.01 -0.12 -4.21 3.84 -1.26 -5.19 114.94 108.75 1ug2 s ASN 23 Ca -0.04 -0.01 -0.33 0.00 0.21 0.00 0.00 52.86 52.69 1ug2 s ASN 23 Cb -0.03 0.02 0.13 0.00 -0.55 0.00 0.00 41.25 40.82 1ug2 s ASN 23 CO -0.12 -0.03 1.28 -0.55 -2.79 0.00 0.00 177.10 174.89 1ug2 s SER 24 N -2.44 -0.08 -0.29 -4.21 0.15 -1.26 -5.15 113.70 100.42 1ug2 s SER 24 Ca 0.13 -0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.72 1ug2 s SER 24 Cb 0.03 0.13 0.18 0.00 -1.71 0.00 0.00 66.02 64.65 1ug2 s SER 24 CO -0.04 -0.22 0.57 -0.75 1.20 0.00 0.00 173.24 173.99 1ug2 s LYS 25 N -2.35 0.54 -0.36 5.44 2.36 -1.26 -5.11 119.74 119.00 1ug2 s LYS 25 Ca 0.12 0.86 -0.00 0.00 -2.55 0.00 0.00 55.97 54.40 1ug2 s LYS 25 Cb 0.02 0.37 0.12 0.00 -1.05 0.00 0.00 37.83 37.29 1ug2 s LYS 25 CO -0.04 -0.70 0.18 0.08 1.55 0.00 0.00 175.35 176.42 1ug2 s VAL 26 N 2.81 0.60 -0.30 4.02 1.01 -1.26 -5.07 120.40 122.21 1ug2 s VAL 26 Ca 0.18 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.25 1ug2 s VAL 26 Cb -0.14 -1.44 0.19 0.00 0.00 0.00 0.00 36.38 34.98 1ug2 s VAL 26 CO -0.21 -0.86 1.17 -0.94 0.00 0.00 0.00 175.10 174.25 1ug2 s SER 27 N 1.14 -0.25 -0.30 3.32 1.04 -1.26 -5.17 113.70 112.23 1ug2 s SER 27 Ca 0.15 0.35 -0.25 0.00 0.48 0.00 0.00 55.95 56.69 1ug2 s SER 27 Cb -0.21 1.23 0.18 0.00 0.10 0.00 0.00 66.02 67.32 1ug2 s SER 27 CO -0.10 -0.05 1.38 -0.94 0.98 0.00 0.00 173.24 174.51 1ug2 s SER 28 N 1.84 -0.10 -1.55 7.02 1.04 -1.26 -4.98 113.70 115.70 1ug2 s SER 28 Ca -0.03 0.20 -0.03 0.00 0.48 0.00 0.00 55.95 56.57 1ug2 s SER 28 Cb -0.03 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.36 1ug2 s SER 28 CO -0.15 -0.03 0.19 1.07 0.98 0.00 0.00 173.24 175.30 1ug2 n THR 29 N 1.73 -1.42 -0.59 2.02 5.66 -1.26 -4.86 114.28 115.56 1ug2 n THR 29 Ca -0.11 -0.43 -0.20 0.00 -3.05 0.00 0.00 64.05 60.26 1ug2 n THR 29 Cb 0.57 -1.39 0.13 0.00 -1.55 0.00 0.00 70.33 68.09 1ug2 n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ug2 n GLY 30 N -2.26 -2.43 3.39 1.09 0.00 -1.26 -5.01 105.19 98.72 1ug2 n GLY 30 Ca -0.27 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.29 1.43 -0.48 1.61 2.02 -1.26 -4.85 118.70 113.88 1ug2 s GLU 31 Ca 0.37 -1.33 -0.14 0.00 0.02 0.00 0.00 54.97 53.88 1ug2 s GLU 31 Cb -0.05 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 32.28 1ug2 s GLU 31 CO 0.38 0.45 0.62 1.17 0.02 0.00 0.00 175.26 177.90 1ug2 n LYS 32 N 0.94 -2.23 -3.74 1.61 4.81 -1.26 -5.01 118.16 113.29 1ug2 n LYS 32 Ca -0.18 2.02 -0.16 0.00 -0.87 0.00 0.00 58.31 59.12 1ug2 n LYS 32 Cb 0.53 -5.60 -0.16 0.00 0.02 0.00 0.00 35.03 29.82 1ug2 n LYS 32 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ug2 s VAL 33 N -2.64 -0.08 0.00 3.15 0.11 -1.26 -4.94 120.40 114.74 1ug2 s VAL 33 Ca 0.22 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 1ug2 s VAL 33 Cb -0.06 -0.13 0.00 0.00 -1.53 0.00 0.00 36.38 34.66 1ug2 s VAL 33 CO 0.77 0.11 0.00 0.55 -3.33 0.00 0.00 175.10 173.20 1ug2 n VAL 34 N 4.52 0.00 0.22 2.04 3.14 -1.26 -4.98 118.33 122.01 1ug2 n VAL 34 Ca -0.21 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.03 1ug2 n VAL 34 Cb 0.50 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.20 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 -0.48-10.06 6.55 3.38 -2.04 -3.43 115.31 109.23 1ug2 h LEU 35 Ca 0.00 -0.10 -0.52 0.00 0.09 0.00 0.00 57.88 57.35 1ug2 h LEU 35 Cb 0.00 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ug2 h LEU 35 CO 0.00 -0.16 -0.05 0.26 0.09 0.00 0.00 178.44 178.58 1ug2 s TRP 36 N -4.97 3.44 0.03 1.13 0.52 -1.26 -5.06 118.94 112.77 1ug2 s TRP 36 Ca -0.15 0.87 -0.20 0.00 0.02 0.00 0.00 56.10 56.64 1ug2 s TRP 36 Cb 0.02 -2.27 -0.06 0.00 -1.15 0.00 0.00 33.47 30.01 1ug2 s TRP 36 CO 0.54 0.14 0.59 0.99 0.02 0.00 0.00 176.95 179.23 1ug2 s THR 37 N -2.03 4.83 0.03 2.01 2.01 -1.26 -4.95 115.64 116.28 1ug2 s THR 37 Ca 0.48 1.25 -0.07 0.00 0.31 0.00 0.00 61.69 63.66 1ug2 s THR 37 Cb -0.11 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 1ug2 s THR 37 CO 0.26 0.47 1.11 -0.09 -0.69 0.00 0.00 174.62 175.67 1ug2 h ARG 38 N 5.21 -0.07 -0.98 4.92 9.65 -1.97 0.80 114.38 131.93 1ug2 h ARG 38 Ca -0.47 0.01 0.17 0.00 -1.10 0.00 0.00 59.98 58.59 1ug2 h ARG 38 Cb 1.21 0.02 -0.17 0.00 -1.39 0.00 0.00 29.97 29.63 1ug2 h ARG 38 CO 0.67 -0.05 -0.32 1.49 2.80 0.00 0.00 179.97 184.57 1ug2 h GLU 39 N -0.08 -0.00 -0.81 0.20 4.57 -1.98 1.75 114.58 118.23 1ug2 h GLU 39 Ca 0.01 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1ug2 h GLU 39 Cb 0.12 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 1ug2 h GLU 39 CO -0.12 -0.00 0.51 0.00 -1.18 0.00 0.00 179.01 178.22 1ug2 h ALA 40 N 1.68 1.08 -0.16 2.92 0.00 -1.61 0.64 119.26 123.81 1ug2 h ALA 40 Ca 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1ug2 h ALA 40 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ug2 h ALA 40 CO -1.00 0.30 0.06 -0.44 0.00 0.00 0.00 179.25 178.17 1ug2 h ASP 41 N 0.97 0.23 -0.42 0.00 3.32 0.89 -2.72 116.42 118.70 1ug2 h ASP 41 Ca 0.33 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ug2 h ASP 41 Cb 0.07 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1ug2 h ASP 41 CO -0.13 0.36 0.26 0.03 -1.72 0.00 0.00 179.24 178.03 1ug2 h ARG 42 N 0.09 0.56 -0.72 3.56 3.08 0.19 -2.49 114.38 118.65 1ug2 h ARG 42 Ca 0.05 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.20 1ug2 h ARG 42 Cb 0.20 -0.12 -0.14 0.00 0.08 0.00 0.00 29.97 30.00 1ug2 h ARG 42 CO -0.00 0.40 -0.20 0.28 -1.07 0.00 0.00 179.97 179.38 1ug2 h VAL 43 N 0.55 0.26 0.21 2.04 2.07 0.46 0.27 116.25 122.10 1ug2 h VAL 43 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 1ug2 h VAL 43 Cb -0.02 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 1ug2 h VAL 43 CO -0.03 0.00 -0.33 0.40 0.02 0.00 0.00 177.57 177.63 1ug2 h ILE 44 N -0.02 0.31 -0.90 4.57 2.04 -1.14 1.54 117.51 123.91 1ug2 h ILE 44 Ca 0.34 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.46 1ug2 h ILE 44 Cb 0.53 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1ug2 h ILE 44 CO -0.75 0.00 0.68 -0.07 0.00 0.00 0.00 178.15 178.01 1ug2 h LEU 45 N -0.61 0.00 0.00 1.44 3.38 -0.47 1.41 115.31 120.46 1ug2 h LEU 45 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ug2 h LEU 45 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1ug2 h LEU 45 CO -0.14 0.00 -0.22 0.74 0.09 0.00 0.00 178.44 178.91 1ug2 h THR 46 N 0.00 0.68 0.63 0.22 2.02 0.21 -3.10 112.91 113.57 1ug2 h THR 46 Ca 0.43 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 1ug2 h THR 46 Cb 1.78 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 69.54 1ug2 h THR 46 CO -0.00 0.23 -0.30 0.24 0.37 0.00 0.00 175.52 176.05 1ug2 h MET 47 N -1.00 -0.82 -0.09 6.66 2.86 0.33 1.50 114.93 124.37 1ug2 h MET 47 Ca -0.04 0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1ug2 h MET 47 Cb 0.55 0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 1ug2 h MET 47 CO -0.02 -0.55 0.31 0.00 1.06 0.00 0.00 176.91 177.71 1ug2 h GLN 49 N 0.00 0.00 0.81 0.00 5.75 -1.09 1.29 115.11 121.87 1ug2 h GLN 49 Ca 0.04 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 1ug2 h GLN 49 Cb 0.67 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.22 1ug2 h GLN 49 CO -0.00 0.00 -0.50 1.49 -2.65 0.00 0.00 178.83 177.17 1ug2 h GLU 50 N -0.57 -1.18 -0.06 1.69 4.22 0.26 -2.93 114.58 116.00 1ug2 h GLU 50 Ca 0.00 0.08 -0.14 0.00 0.08 0.00 0.00 59.36 59.38 1ug2 h GLU 50 Cb 0.22 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ug2 h GLU 50 CO 0.00 -0.79 -0.58 1.96 -2.18 0.00 0.00 179.01 177.42 1ug2 h GLN 51 N -1.22 0.18 0.00 1.92 4.20 0.68 -3.50 115.11 117.36 1ug2 h GLN 51 Ca -0.11 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1ug2 h GLN 51 Cb 0.98 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1ug2 h GLN 51 CO 0.11 0.71 0.00 0.41 -0.67 0.00 0.00 178.83 179.39 1ug2 n GLY 52 N 0.19 2.52 3.42 3.46 0.00 -0.39 -4.82 105.19 109.58 1ug2 n GLY 52 Ca -0.02 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 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 1.27 2.08 -2.43 4.61 0.00 0.44 -4.40 120.51 122.08 1ug2 n ALA 53 Ca 0.00 -3.02 -0.23 0.00 0.00 0.00 0.00 53.44 50.19 1ug2 n ALA 53 Cb 0.00 -3.54 -0.11 0.00 0.00 0.00 0.00 19.45 15.80 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 6.22 1.47 0.00 0.00 -2.07 -1.26 -5.01 119.66 119.01 1ug2 s GLN 54 Ca 0.66 -1.58 0.23 0.00 -1.82 0.00 0.00 55.36 52.85 1ug2 s GLN 54 Cb 0.05 -1.55 1.25 0.00 -1.09 0.00 0.00 33.01 31.66 1ug2 s GLN 54 CO 0.15 0.30 1.76 -0.35 -1.32 0.00 0.00 175.29 175.84 1ug2 n PRO 55 N -0.11 0.46 0.04 9.60 -0.04 -1.26 -2.06 135.00 141.62 1ug2 n PRO 55 Ca -0.10 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1ug2 n PRO 55 Cb 0.58 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.19 0.36 0.01 0.54 8.25 -1.26 -4.07 115.22 117.86 1ug2 n HIS 56 Ca 0.13 0.11 -0.17 0.00 -0.26 0.00 0.00 57.72 57.53 1ug2 n HIS 56 Cb 0.15 -0.52 -0.14 0.00 1.12 0.00 0.00 29.99 30.60 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 0.79 -0.41 1.59 2.02 -1.71 -3.34 112.91 111.87 1ug2 h THR 57 Ca 0.00 -2.53 0.12 0.00 0.77 0.00 0.00 66.41 64.77 1ug2 h THR 57 Cb 0.77 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.70 1ug2 h THR 57 CO 0.00 0.77 0.42 -0.26 0.37 0.00 0.00 175.52 176.82 1ug2 h PHE 58 N 0.05 0.00 0.00 3.16 0.04 -1.69 1.29 116.94 119.80 1ug2 h PHE 58 Ca -0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.42 1ug2 h PHE 58 Cb 2.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.18 1ug2 h PHE 58 CO 0.05 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.79 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.87 -1.74 -2.52 113.55 112.32 1ug2 h SER 59 Ca 0.19 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 1ug2 h SER 59 Cb 1.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1ug2 h SER 59 CO -0.00 0.00 -0.65 0.58 -0.53 0.00 0.00 176.83 176.22 1ug2 h VAL 60 N 0.00 0.39 -0.99 2.23 2.07 0.15 -3.34 116.25 116.75 1ug2 h VAL 60 Ca 0.00 -1.45 0.18 0.00 0.82 0.00 0.00 66.70 66.25 1ug2 h VAL 60 Cb 0.74 0.89 -0.10 0.00 -1.52 0.00 0.00 31.29 31.30 1ug2 h VAL 60 CO 0.00 0.13 0.59 0.40 0.02 0.00 0.00 177.57 178.72 1ug2 h ILE 61 N -1.00 0.73 -0.73 4.57 2.04 -1.35 0.15 117.51 121.91 1ug2 h ILE 61 Ca -0.11 -0.26 0.16 0.00 1.00 0.00 0.00 64.86 65.65 1ug2 h ILE 61 Cb 0.73 -0.11 -0.11 0.00 -0.74 0.00 0.00 36.82 36.58 1ug2 h ILE 61 CO -0.07 0.14 0.13 -1.28 0.00 0.00 0.00 178.15 177.08 1ug2 h SER 62 N 0.77 -0.08 0.49 1.72 0.87 -1.61 0.83 113.55 116.55 1ug2 h SER 62 Ca 0.56 0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 61.15 1ug2 h SER 62 Cb 0.83 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1ug2 h SER 62 CO -0.37 -0.08 -0.59 1.56 -0.53 0.00 0.00 176.83 176.82 1ug2 h GLN 63 N 0.22 0.09 -0.20 2.24 4.20 -0.88 -2.88 115.11 117.90 1ug2 h GLN 63 Ca 0.41 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 59.01 1ug2 h GLN 63 Cb 0.72 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1ug2 h GLN 63 CO -0.54 0.65 -0.06 1.96 -0.67 0.00 0.00 178.83 180.17 1ug2 h GLN 64 N 0.07 0.40 -0.34 1.46 1.08 0.11 -3.11 115.11 114.78 1ug2 h GLN 64 Ca -0.01 -0.16 0.06 0.00 -1.45 0.00 0.00 58.65 57.10 1ug2 h GLN 64 Cb 1.06 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.41 1ug2 h GLN 64 CO 0.08 0.65 0.01 -0.07 -0.95 0.00 0.00 178.83 178.55 1ug2 h LEU 65 N 0.11 -0.12 0.00 1.46 3.38 0.44 -3.47 115.31 117.11 1ug2 h LEU 65 Ca 0.05 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ug2 h LEU 65 Cb 0.51 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ug2 h LEU 65 CO 0.02 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1ug2 n GLY 66 N -1.24 2.97 0.32 0.83 0.00 -1.10 -4.82 105.19 102.14 1ug2 n GLY 66 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 -4.80 1.61 3.02 -1.25 -4.84 115.26 109.00 1ug2 n ASN 67 Ca 0.00 -1.59 -0.34 0.00 -0.03 0.00 0.00 54.58 52.62 1ug2 n ASN 67 Cb 0.00 -0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.02 1ug2 n ASN 67 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ug2 s LYS 68 N 0.00 3.86 0.28 3.52 2.47 -1.13 -5.05 119.74 123.68 1ug2 s LYS 68 Ca 0.00 1.37 0.06 0.00 -1.56 0.00 0.00 55.97 55.83 1ug2 s LYS 68 Cb 0.00 -2.15 -0.02 0.00 -1.46 0.00 0.00 37.83 34.20 1ug2 s LYS 68 CO 0.00 -0.38 0.37 0.95 0.16 0.00 0.00 175.35 176.45 1ug2 s THR 69 N -1.95 4.68 -0.43 3.43 -4.23 -1.26 -4.28 115.64 111.59 1ug2 s THR 69 Ca 0.66 -1.06 0.26 0.00 -1.18 0.00 0.00 61.69 60.37 1ug2 s THR 69 Cb -0.17 -3.62 0.31 0.00 1.34 0.00 0.00 72.50 70.36 1ug2 s THR 69 CO 0.20 -0.27 1.77 1.55 -0.54 0.00 0.00 174.62 177.34 1ug2 h PRO 70 N 1.12 0.00 0.00 3.99 0.13 -1.93 -0.96 132.00 134.35 1ug2 h PRO 70 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 1ug2 h PRO 70 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1ug2 h PRO 70 CO 0.58 0.00 -0.47 -0.24 -0.23 0.00 0.00 178.00 177.64 1ug2 h VAL 71 N 0.00 0.81 0.04 1.56 3.04 -1.95 -2.98 116.25 116.78 1ug2 h VAL 71 Ca 0.00 -2.13 -0.30 0.00 -1.01 0.00 0.00 66.70 63.26 1ug2 h VAL 71 Cb 0.63 2.40 -0.03 0.00 -2.01 0.00 0.00 31.29 32.28 1ug2 h VAL 71 CO 0.00 0.46 -1.65 -0.62 -1.01 0.00 0.00 177.57 174.75 1ug2 n GLU 72 N -3.22 0.64 -0.24 4.17 -0.58 -1.03 -3.25 120.64 117.13 1ug2 n GLU 72 Ca 0.02 0.44 0.16 0.00 -0.42 0.00 0.00 57.16 57.36 1ug2 n GLU 72 Cb 0.72 -1.71 0.46 0.00 -0.57 0.00 0.00 31.44 30.34 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 -0.61 0.75 -0.18 2.62 2.07 -1.29 0.70 116.25 120.31 1ug2 h VAL 73 Ca -0.41 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 1ug2 h VAL 73 Cb 1.59 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1ug2 h VAL 73 CO -0.12 0.09 -0.40 -1.28 0.02 0.00 0.00 177.57 175.88 1ug2 h SER 74 N 0.51 0.66 0.37 0.57 0.87 -1.67 -0.97 113.55 113.88 1ug2 h SER 74 Ca 0.45 -0.56 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1ug2 h SER 74 Cb 0.97 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1ug2 h SER 74 CO -0.19 1.10 -0.27 0.45 -0.53 0.00 0.00 176.83 177.39 1ug2 h HIS 75 N 0.24 0.00 0.01 2.24 -0.00 -0.80 -1.63 115.15 115.21 1ug2 h HIS 75 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.13 1ug2 h HIS 75 Cb 1.00 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.42 1ug2 h HIS 75 CO 0.09 0.27 -0.99 -0.09 -0.00 0.00 0.00 177.93 177.22 1ug2 h ARG 76 N 0.00 0.44 0.23 2.45 9.65 0.44 -2.44 114.38 125.15 1ug2 h ARG 76 Ca -0.00 -0.49 -0.01 0.00 -1.10 0.00 0.00 59.98 58.37 1ug2 h ARG 76 Cb 0.53 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 1ug2 h ARG 76 CO 0.03 1.15 -0.11 0.35 2.80 0.00 0.00 179.97 184.19 1ug2 h PHE 77 N 0.24 -0.29 0.00 2.20 3.57 -0.64 -0.40 116.94 121.62 1ug2 h PHE 77 Ca -0.09 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1ug2 h PHE 77 Cb 1.63 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.46 1ug2 h PHE 77 CO 0.07 0.02 -0.03 0.07 -2.23 0.00 0.00 178.31 176.21 1ug2 h ARG 78 N -0.61 0.00 0.04 1.11 -0.00 -1.41 -2.67 114.38 110.84 1ug2 h ARG 78 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.95 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 0.05 0.03 -0.02 0.93 -0.00 0.00 0.00 179.97 180.96 1ug2 h GLU 79 N 0.00 -0.05 -0.68 0.08 4.39 -1.12 -2.28 114.58 114.92 1ug2 h GLU 79 Ca -0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1ug2 h GLU 79 Cb 0.21 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.76 1ug2 h GLU 79 CO 0.00 0.60 -0.44 -0.07 -1.16 0.00 0.00 179.01 177.95 1ug2 h LEU 80 N -0.86 -1.53 -1.55 1.33 3.38 -0.72 1.07 115.31 116.43 1ug2 h LEU 80 Ca -0.01 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1ug2 h LEU 80 Cb 0.68 0.71 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1ug2 h LEU 80 CO 0.01 -0.32 0.04 0.24 0.09 0.00 0.00 178.44 178.51 1ug2 h MET 81 N -0.17 0.34 -0.51 1.13 2.86 -1.64 -0.72 114.93 116.22 1ug2 h MET 81 Ca 0.20 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.68 1ug2 h MET 81 Cb 0.55 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1ug2 h MET 81 CO -0.75 0.33 -0.13 1.96 1.06 0.00 0.00 176.91 179.37 1ug2 h GLN 82 N 0.33 0.98 -0.50 1.72 7.50 0.12 -2.54 115.11 122.73 1ug2 h GLN 82 Ca 0.08 -0.38 -0.12 0.00 0.50 0.00 0.00 58.65 58.73 1ug2 h GLN 82 Cb 0.16 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 1ug2 h GLN 82 CO -0.00 1.05 -0.17 1.37 -1.50 0.00 0.00 178.83 179.59 1ug2 h LEU 83 N 0.84 1.01 0.16 1.46 8.10 0.14 -0.57 115.31 126.45 1ug2 h LEU 83 Ca 0.13 -0.38 0.02 0.00 0.11 0.00 0.00 57.88 57.76 1ug2 h LEU 83 Cb 0.70 -0.28 -0.04 0.00 -0.44 0.00 0.00 40.66 40.60 1ug2 h LEU 83 CO 0.05 1.16 -0.42 -0.26 -4.11 0.00 0.00 178.44 174.86 1ug2 h PHE 84 N 0.85 -1.17 0.76 0.17 0.04 -0.97 0.19 116.94 116.81 1ug2 h PHE 84 Ca 0.12 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.88 1ug2 h PHE 84 Cb 0.74 0.49 0.01 0.00 2.20 0.00 0.00 35.95 39.39 1ug2 h PHE 84 CO 0.05 -0.52 -0.36 0.45 -0.60 0.00 0.00 178.31 177.32 1ug2 h HIS 85 N -0.68 -0.94 -3.37 -0.55 3.86 -1.45 -3.33 115.15 108.69 1ug2 h HIS 85 Ca 0.01 -0.02 -0.79 0.00 -1.16 0.00 0.00 60.37 58.41 1ug2 h HIS 85 Cb 0.69 0.31 -0.29 0.00 1.06 0.00 0.00 27.41 29.18 1ug2 h HIS 85 CO -0.35 -0.59 0.45 2.41 0.86 0.00 0.00 177.93 180.71 1ug2 n THR 86 N -5.05 4.52 -1.87 2.45 -1.04 -0.23 -5.03 114.28 108.04 1ug2 n THR 86 Ca -0.13 -5.47 -0.29 0.00 -2.04 0.00 0.00 64.05 56.12 1ug2 n THR 86 Cb 0.40 -2.45 0.15 0.00 -1.82 0.00 0.00 70.33 66.61 1ug2 n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug2 s ALA 87 N -1.65 2.31 -0.44 2.41 0.00 0.65 -4.40 121.76 120.65 1ug2 s ALA 87 Ca 0.31 -0.95 -0.24 0.00 0.00 0.00 0.00 51.96 51.08 1ug2 s ALA 87 Cb -0.06 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.23 1ug2 s ALA 87 CO -0.04 -2.18 0.62 0.00 0.00 0.00 0.00 175.76 174.16 1ug2 s GLU 89 N -2.57 0.81 -0.07 0.00 -6.30 -1.26 -5.00 118.70 104.31 1ug2 s GLU 89 Ca 0.29 -1.41 -0.06 0.00 -2.50 0.00 0.00 54.97 51.30 1ug2 s GLU 89 Cb -0.06 -1.82 0.02 0.00 0.00 0.00 0.00 34.13 32.27 1ug2 s GLU 89 CO 0.81 -1.12 0.11 0.45 0.02 0.00 0.00 175.26 175.53 1ug2 n SER 90 N 4.20 -5.26 -4.81 -1.70 2.88 -1.26 -5.03 113.62 102.64 1ug2 n SER 90 Ca 0.05 1.57 -0.24 0.00 -1.33 0.00 0.00 58.87 58.92 1ug2 n SER 90 Cb 0.38 -5.07 -0.05 0.00 -0.75 0.00 0.00 64.21 58.72 1ug2 n SER 90 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ug2 s GLY 91 N -0.60 1.57 -0.72 0.46 0.00 -1.26 -4.99 107.32 101.77 1ug2 s GLY 91 Ca -0.13 -1.32 -0.06 0.00 0.00 0.00 0.00 44.72 43.21 1ug2 s GLY 91 CO 0.34 -1.35 2.63 -1.55 0.00 0.00 0.00 173.10 173.18 1ug2 n PRO 92 N -0.75 2.26 -1.33 2.90 -0.04 -1.26 -4.76 135.00 132.03 1ug2 n PRO 92 Ca -0.08 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1ug2 n PRO 92 Cb 0.56 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1ug2 n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug2 n SER 93 N 3.40 -7.22 -4.55 3.54 2.88 -1.26 -4.64 113.62 105.76 1ug2 n SER 93 Ca 0.48 0.95 -0.29 0.00 -1.33 0.00 0.00 58.87 58.68 1ug2 n SER 93 Cb 0.39 -3.29 -0.05 0.00 -0.75 0.00 0.00 64.21 60.51 1ug2 n SER 93 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ug2 s SER 94 N -1.61 4.67 0.00 -3.46 0.01 -1.26 -5.27 113.70 106.78 1ug2 s SER 94 Ca 0.00 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.48 1ug2 s SER 94 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1ug2 s SER 94 CO 0.00 -2.98 0.56 0.61 0.41 0.00 0.00 173.24 171.84