#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 -0.58 0.29 1.61 0.04 -1.26 -5.10 135.00 130.00 1ug2 s PRO 2 Ca 0.00 -0.36 0.03 0.00 0.04 0.00 0.00 61.00 60.71 1ug2 s PRO 2 Cb 0.00 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.78 1ug2 s PRO 2 CO 0.00 -3.24 0.06 0.45 0.04 0.00 0.00 177.00 174.31 1ug2 s SER 3 N -4.48 1.92 0.13 6.66 0.15 -1.26 -5.17 113.70 111.66 1ug2 s SER 3 Ca 0.74 -1.36 0.02 0.00 0.70 0.00 0.00 55.95 56.05 1ug2 s SER 3 Cb -0.05 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 1ug2 s SER 3 CO 0.55 -0.64 0.13 0.61 1.20 0.00 0.00 173.24 175.09 1ug2 n GLY 4 N -0.58 3.39 3.66 9.45 0.00 -1.26 -5.19 105.19 114.67 1ug2 n GLY 4 Ca -0.02 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.92 -0.37 0.29 1.61 0.01 -1.26 -5.19 113.70 106.88 1ug2 s SER 5 Ca 0.15 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.05 1ug2 s SER 5 Cb 0.01 0.67 -0.06 0.00 0.21 0.00 0.00 66.02 66.84 1ug2 s SER 5 CO 0.11 -1.18 0.08 -0.55 0.41 0.00 0.00 173.24 172.10 1ug2 s SER 6 N -2.86 1.74 0.00 2.44 0.15 -1.26 -5.16 113.70 108.75 1ug2 s SER 6 Ca 0.08 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1ug2 s SER 6 Cb -0.04 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1ug2 s SER 6 CO -0.01 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1ug2 n GLY 7 N -0.57 4.86 3.63 9.45 0.00 -1.26 -5.19 105.19 116.11 1ug2 n GLY 7 Ca -0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.64 -2.04 0.00 4.61 0.00 -1.26 -5.19 121.76 116.23 1ug2 s ALA 8 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1ug2 s ALA 8 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1ug2 s ALA 8 CO 0.00 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.24 1ug2 n GLY 9 N -0.39 -0.02 2.23 0.00 0.00 -1.26 -5.10 105.19 100.66 1ug2 n GLY 9 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1ug2 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 n ALA 10 N -0.14 0.24 -1.09 4.61 0.00 -1.26 -5.13 120.51 117.74 1ug2 n ALA 10 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1ug2 n ALA 10 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1ug2 n ALA 10 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1ug2 n LEU 11 N -3.49 -3.44 0.00 0.00 -0.00 -1.26 -4.72 117.00 104.10 1ug2 n LEU 11 Ca 0.00 0.40 -0.13 0.00 -0.00 0.00 0.00 56.01 56.28 1ug2 n LEU 11 Cb 0.00 -0.92 0.10 0.00 -0.00 0.00 0.00 43.42 42.59 1ug2 n LEU 11 CO 0.00 -4.88 0.32 -0.81 -0.00 0.00 0.00 177.39 172.02 1ug2 n PRO 12 N 1.13 -1.23 -3.15 1.47 -0.04 -1.26 -5.18 135.00 126.74 1ug2 n PRO 12 Ca 0.04 -0.81 0.04 0.00 -0.04 0.00 0.00 63.50 62.73 1ug2 n PRO 12 Cb 0.52 -0.64 -0.01 0.00 -0.04 0.00 0.00 33.50 33.33 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 -4.15 0.51 -0.06 0.54 1.02 -1.26 -5.16 119.74 111.18 1ug2 s LYS 13 Ca 0.31 0.79 -0.29 0.00 0.02 0.00 0.00 55.97 56.80 1ug2 s LYS 13 Cb -0.02 0.43 0.10 0.00 -0.52 0.00 0.00 37.83 37.82 1ug2 s LYS 13 CO 0.23 -0.66 0.85 0.00 -0.92 0.00 0.00 175.35 174.85 1ug2 s ALA 14 N 2.87 -1.83 -0.30 5.17 0.00 -1.26 -5.17 121.76 121.24 1ug2 s ALA 14 Ca 0.16 1.25 -0.18 0.00 0.00 0.00 0.00 51.96 53.19 1ug2 s ALA 14 Cb -0.13 -0.05 0.19 0.00 0.00 0.00 0.00 23.12 23.13 1ug2 s ALA 14 CO -0.21 -0.48 1.22 0.45 0.00 0.00 0.00 175.76 176.74 1ug2 s SER 15 N -1.70 -0.17 -0.21 0.00 0.15 -1.26 -5.07 113.70 105.44 1ug2 s SER 15 Ca -0.02 0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.67 1ug2 s SER 15 Cb -0.01 1.16 0.06 0.00 -1.71 0.00 0.00 66.02 65.52 1ug2 s SER 15 CO -0.01 -0.03 0.58 -1.61 1.20 0.00 0.00 173.24 173.36 1ug2 s GLU 16 N 1.80 0.67 -0.22 5.44 2.02 -1.26 -5.17 118.70 121.99 1ug2 s GLU 16 Ca -0.03 0.80 -0.32 0.00 0.02 0.00 0.00 54.97 55.43 1ug2 s GLU 16 Cb -0.02 0.33 0.16 0.00 0.10 0.00 0.00 34.13 34.69 1ug2 s GLU 16 CO -0.15 -0.08 1.23 0.00 0.02 0.00 0.00 175.26 176.28 1ug2 s ALA 17 N 0.29 -2.07 0.03 5.21 0.00 -1.26 -5.17 121.76 118.80 1ug2 s ALA 17 Ca -0.00 1.71 0.09 0.00 0.00 0.00 0.00 51.96 53.76 1ug2 s ALA 17 Cb -0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1ug2 s ALA 17 CO 0.01 -0.42 -0.26 0.99 0.00 0.00 0.00 175.76 176.08 1ug2 s THR 18 N -1.70 2.18 0.27 0.00 2.01 -1.26 -5.14 115.64 112.00 1ug2 s THR 18 Ca 0.07 -1.33 0.02 0.00 0.31 0.00 0.00 61.69 60.76 1ug2 s THR 18 Cb -0.01 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1ug2 s THR 18 CO -0.05 0.40 0.11 0.68 -0.69 0.00 0.00 174.62 175.07 1ug2 s VAL 19 N -0.79 0.50 0.22 3.82 -7.23 -1.26 -5.04 120.40 110.63 1ug2 s VAL 19 Ca 0.12 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 1ug2 s VAL 19 Cb -0.10 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.15 1ug2 s VAL 19 CO 0.02 0.00 1.19 0.00 -0.31 0.00 0.00 175.10 176.00 1ug2 h ALA 21 N 4.78 -1.12 -3.09 0.00 0.00 -2.06 -3.45 119.26 114.32 1ug2 h ALA 21 Ca -0.45 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.11 1ug2 h ALA 21 Cb 1.21 0.60 -0.23 0.00 0.00 0.00 0.00 17.79 19.37 1ug2 h ALA 21 CO 0.72 -1.12 -0.58 -0.80 0.00 0.00 0.00 179.25 177.46 1ug2 s ASN 22 N -3.87 0.03 0.21 0.00 0.01 -1.26 -5.03 114.94 105.03 1ug2 s ASN 22 Ca -0.15 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 1ug2 s ASN 22 Cb 0.03 0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.87 1ug2 s ASN 22 CO 0.48 -0.22 0.00 -3.20 -1.51 0.00 0.00 177.10 172.65 1ug2 n ASN 23 N 2.09 -1.54 -1.22 -1.22 2.85 -1.26 -5.17 115.26 109.80 1ug2 n ASN 23 Ca -0.19 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 1ug2 n ASN 23 Cb 0.57 1.64 0.00 0.00 1.24 0.00 0.00 39.78 43.22 1ug2 n ASN 23 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ug2 n SER 24 N -2.98 -6.61 -3.56 1.20 2.88 -1.26 -5.07 113.62 98.22 1ug2 n SER 24 Ca 0.00 1.33 -0.17 0.00 -1.33 0.00 0.00 58.87 58.69 1ug2 n SER 24 Cb 0.00 -3.64 -0.06 0.00 -0.75 0.00 0.00 64.21 59.75 1ug2 n SER 24 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1ug2 s LYS 25 N -4.87 1.00 0.84 -1.46 -2.85 -1.26 -5.15 119.74 105.98 1ug2 s LYS 25 Ca 0.00 0.18 -0.14 0.00 -1.00 0.00 0.00 55.97 55.01 1ug2 s LYS 25 Cb 0.00 0.47 0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1ug2 s LYS 25 CO 0.00 -0.31 0.62 1.33 0.10 0.00 0.00 175.35 177.09 1ug2 n VAL 26 N 0.96 1.09 -4.42 1.79 0.24 -1.26 -5.01 118.33 111.71 1ug2 n VAL 26 Ca -0.19 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.34 61.64 1ug2 n VAL 26 Cb 0.57 -0.79 -0.15 0.00 -1.47 0.00 0.00 33.84 32.01 1ug2 n VAL 26 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ug2 s SER 27 N -1.84 1.20 -0.50 -1.34 0.01 -1.26 -5.11 113.70 104.87 1ug2 s SER 27 Ca 0.64 -0.19 -0.26 0.00 1.31 0.00 0.00 55.95 57.45 1ug2 s SER 27 Cb -0.28 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 65.85 1ug2 s SER 27 CO 0.60 0.12 0.97 -0.44 0.41 0.00 0.00 173.24 174.91 1ug2 s SER 28 N -0.27 6.46 0.43 2.44 0.01 -1.26 -4.99 113.70 116.52 1ug2 s SER 28 Ca 0.04 0.03 -0.22 0.00 1.31 0.00 0.00 55.95 57.11 1ug2 s SER 28 Cb -0.04 -2.47 -0.13 0.00 0.21 0.00 0.00 66.02 63.59 1ug2 s SER 28 CO -0.00 -1.16 0.39 0.35 0.41 0.00 0.00 173.24 173.23 1ug2 n THR 29 N 6.43 1.42 0.00 1.44 -2.24 -1.26 -4.10 114.28 115.96 1ug2 n THR 29 Ca 0.06 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1ug2 n THR 29 Cb 0.48 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.98 1.70 2.89 3.38 0.00 -1.26 -4.07 105.19 109.81 1ug2 n GLY 30 Ca 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 1ug2 n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ug2 n GLU 31 N 4.20 -2.55 -2.81 1.61 2.13 -1.26 -4.77 120.64 117.20 1ug2 n GLU 31 Ca 0.00 2.18 -0.43 0.00 0.66 0.00 0.00 57.16 59.57 1ug2 n GLU 31 Cb 0.00 -4.24 -0.02 0.00 0.27 0.00 0.00 31.44 27.45 1ug2 n GLU 31 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ug2 s LYS 32 N -1.65 3.75 -0.26 5.31 2.20 -1.26 -4.87 119.74 122.95 1ug2 s LYS 32 Ca 0.05 -1.83 -0.02 0.00 -0.36 0.00 0.00 55.97 53.82 1ug2 s LYS 32 Cb -0.01 -5.12 0.15 0.00 -1.51 0.00 0.00 37.83 31.34 1ug2 s LYS 32 CO 0.61 -1.93 0.44 0.54 -0.36 0.00 0.00 175.35 174.65 1ug2 s VAL 33 N 3.15 -0.72 -0.30 4.02 0.11 -1.26 -5.02 120.40 120.37 1ug2 s VAL 33 Ca 0.40 -0.07 0.20 0.00 -2.93 0.00 0.00 61.98 59.59 1ug2 s VAL 33 Cb -0.02 -0.88 0.48 0.00 -1.53 0.00 0.00 36.38 34.43 1ug2 s VAL 33 CO -0.05 -0.10 1.02 0.55 -3.33 0.00 0.00 175.10 173.19 1ug2 n VAL 34 N 5.38 1.08 -0.10 2.04 3.14 -1.26 -4.89 118.33 123.72 1ug2 n VAL 34 Ca -0.02 -2.96 -0.18 0.00 -2.96 0.00 0.00 64.34 58.21 1ug2 n VAL 34 Cb 0.50 0.93 -0.08 0.00 -1.06 0.00 0.00 33.84 34.13 1ug2 n VAL 34 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1ug2 n LEU 35 N -0.29 1.87 -4.93 6.55 0.00 -1.26 -4.96 117.00 113.97 1ug2 n LEU 35 Ca 0.08 0.45 -0.26 0.00 0.00 0.00 0.00 56.01 56.29 1ug2 n LEU 35 Cb 0.81 -0.90 0.07 0.00 0.00 0.00 0.00 43.42 43.40 1ug2 n LEU 35 CO 0.18 0.11 0.62 0.26 0.00 0.00 0.00 177.39 178.56 1ug2 s TRP 36 N -2.40 2.78 0.11 1.96 0.52 -1.26 -5.09 118.94 115.57 1ug2 s TRP 36 Ca -0.27 0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.27 1ug2 s TRP 36 Cb 0.06 -3.22 -0.04 0.00 -1.15 0.00 0.00 33.47 29.13 1ug2 s TRP 36 CO 0.47 -1.47 0.08 -0.08 0.02 0.00 0.00 176.95 175.97 1ug2 s THR 37 N -3.26 4.38 0.09 2.01 -1.32 -1.26 -5.01 115.64 111.28 1ug2 s THR 37 Ca 0.61 -0.94 -0.35 0.00 -1.21 0.00 0.00 61.69 59.80 1ug2 s THR 37 Cb -0.10 -3.15 -0.16 0.00 -1.51 0.00 0.00 72.50 67.58 1ug2 s THR 37 CO 0.45 0.04 1.55 -0.09 -2.21 0.00 0.00 174.62 174.36 1ug2 h ARG 38 N 3.02 -0.87 -0.36 7.08 9.65 -1.98 0.23 114.38 131.14 1ug2 h ARG 38 Ca -0.47 0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.50 1ug2 h ARG 38 Cb 1.18 0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 29.91 1ug2 h ARG 38 CO 0.63 -0.58 -0.22 0.39 2.80 0.00 0.00 179.97 183.00 1ug2 n GLU 39 N -5.47 -0.16 -0.08 0.20 1.02 -1.26 0.20 120.64 115.08 1ug2 n GLU 39 Ca -0.11 1.10 -0.07 0.00 -0.02 0.00 0.00 57.16 58.07 1ug2 n GLU 39 Cb 0.44 -1.64 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 -0.37 0.01 -0.97 0.62 0.00 -1.95 1.55 119.26 118.16 1ug2 h ALA 40 Ca 0.06 0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.28 1ug2 h ALA 40 Cb 0.15 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1ug2 h ALA 40 CO -0.34 -0.59 0.61 0.22 0.00 0.00 0.00 179.25 179.15 1ug2 h ASP 41 N -0.16 0.62 0.02 0.00 1.82 0.29 -0.78 116.42 118.23 1ug2 h ASP 41 Ca 0.16 0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1ug2 h ASP 41 Cb 0.42 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1ug2 h ASP 41 CO -0.42 0.23 -0.01 0.03 -1.61 0.00 0.00 179.24 177.46 1ug2 h ARG 42 N 0.61 -0.03 -0.75 0.28 3.08 0.61 -3.13 114.38 115.06 1ug2 h ARG 42 Ca 0.54 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.66 1ug2 h ARG 42 Cb 1.04 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.00 1ug2 h ARG 42 CO -0.29 0.70 -0.52 0.28 -1.07 0.00 0.00 179.97 179.07 1ug2 h VAL 43 N -0.83 0.00 -0.57 2.04 2.07 0.31 0.41 116.25 119.69 1ug2 h VAL 43 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1ug2 h VAL 43 Cb 0.74 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.40 1ug2 h VAL 43 CO 0.00 0.00 -0.35 0.40 0.02 0.00 0.00 177.57 177.64 1ug2 h ILE 44 N -0.10 0.16 -1.00 4.57 2.04 -1.31 1.61 117.51 123.48 1ug2 h ILE 44 Ca 0.12 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.19 1ug2 h ILE 44 Cb 0.41 0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 36.54 1ug2 h ILE 44 CO -0.75 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 177.94 1ug2 h LEU 45 N -0.19 0.72 0.09 1.44 3.38 -0.43 1.47 115.31 121.79 1ug2 h LEU 45 Ca 0.22 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1ug2 h LEU 45 Cb 0.55 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ug2 h LEU 45 CO -0.67 0.21 -0.04 0.74 0.09 0.00 0.00 178.44 178.77 1ug2 h THR 46 N 0.67 1.14 0.37 0.22 2.02 0.46 -2.65 112.91 115.14 1ug2 h THR 46 Ca 0.60 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1ug2 h THR 46 Cb 1.05 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1ug2 h THR 46 CO -0.40 0.30 -0.18 0.24 0.37 0.00 0.00 175.52 175.86 1ug2 h MET 47 N -0.78 -0.48 -1.43 6.66 2.86 0.31 0.30 114.93 122.37 1ug2 h MET 47 Ca -0.01 0.03 0.44 0.00 -2.06 0.00 0.00 59.70 58.10 1ug2 h MET 47 Cb 0.59 0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.25 1ug2 h MET 47 CO 0.02 -0.32 0.97 0.00 1.06 0.00 0.00 176.91 178.64 1ug2 h GLN 49 N 0.08 -0.63 0.89 0.00 4.15 -1.08 1.72 115.11 120.24 1ug2 h GLN 49 Ca 0.80 0.04 -0.04 0.00 0.77 0.00 0.00 58.65 60.22 1ug2 h GLN 49 Cb 2.73 0.14 0.00 0.00 0.21 0.00 0.00 27.48 30.56 1ug2 h GLN 49 CO -0.27 -0.41 -0.49 1.49 -1.93 0.00 0.00 178.83 177.22 1ug2 h GLU 50 N -1.17 -1.23 -0.44 1.69 4.81 0.35 -2.83 114.58 115.76 1ug2 h GLU 50 Ca -0.07 0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1ug2 h GLU 50 Cb 0.52 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1ug2 h GLU 50 CO 0.11 -0.82 0.09 1.96 -0.73 0.00 0.00 179.01 179.62 1ug2 h GLN 51 N -1.28 0.66 -0.98 1.92 1.08 0.75 -3.47 115.11 113.79 1ug2 h GLN 51 Ca -0.12 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1ug2 h GLN 51 Cb 1.00 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1ug2 h GLN 51 CO 0.16 0.61 0.00 0.41 -0.95 0.00 0.00 178.83 179.06 1ug2 n GLY 52 N -0.94 0.58 3.92 3.46 0.00 0.36 -4.39 105.19 108.19 1ug2 n GLY 52 Ca 0.03 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.75 -2.67 -1.91 4.61 0.00 0.50 -4.93 120.51 115.36 1ug2 n ALA 53 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 53.44 52.73 1ug2 n ALA 53 Cb 0.28 -2.19 0.08 0.00 0.00 0.00 0.00 19.45 17.62 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 -6.38 2.09 0.07 0.00 1.11 -1.26 -5.01 119.66 110.28 1ug2 s GLN 54 Ca 0.33 -0.01 -0.15 0.00 0.01 0.00 0.00 55.36 55.54 1ug2 s GLN 54 Cb -0.17 -2.04 -0.21 0.00 -1.01 0.00 0.00 33.01 29.59 1ug2 s GLN 54 CO 0.93 -1.44 1.21 -1.00 0.01 0.00 0.00 175.29 175.01 1ug2 h PRO 55 N -0.87 0.68 0.06 2.91 0.13 -1.97 -3.23 132.00 129.72 1ug2 h PRO 55 Ca -0.45 -0.66 -0.25 0.00 -0.87 0.00 0.00 66.00 63.77 1ug2 h PRO 55 Cb 1.32 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.61 1ug2 h PRO 55 CO 0.64 1.26 -1.17 1.25 -0.23 0.00 0.00 178.00 179.75 1ug2 h HIS 56 N 0.35 0.23 -1.01 1.56 2.76 -2.01 -3.27 115.15 113.76 1ug2 h HIS 56 Ca -0.09 -0.17 0.22 0.00 -2.20 0.00 0.00 60.37 58.13 1ug2 h HIS 56 Cb 1.52 -0.01 -0.11 0.00 1.55 0.00 0.00 27.41 30.36 1ug2 h HIS 56 CO 0.11 1.14 0.61 1.15 -1.30 0.00 0.00 177.93 179.64 1ug2 h THR 57 N 0.03 0.61 -0.31 6.26 2.02 -1.95 0.69 112.91 120.26 1ug2 h THR 57 Ca -0.09 -0.22 0.09 0.00 0.77 0.00 0.00 66.41 66.96 1ug2 h THR 57 Cb 1.88 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1ug2 h THR 57 CO 0.16 0.11 0.45 -0.26 0.37 0.00 0.00 175.52 176.36 1ug2 h PHE 58 N 0.63 0.00 0.00 3.16 0.04 -1.61 1.45 116.94 120.61 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 1.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.28 1ug2 h PHE 58 CO -0.00 0.00 -0.75 1.03 -0.60 0.00 0.00 178.31 177.98 1ug2 h SER 59 N 0.00 0.00 0.24 2.17 0.87 0.18 -3.07 113.55 113.95 1ug2 h SER 59 Ca 0.15 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1ug2 h SER 59 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1ug2 h SER 59 CO -0.00 0.03 -0.12 0.58 -0.53 0.00 0.00 176.83 176.79 1ug2 h VAL 60 N 0.00 0.00 -0.71 2.23 2.07 0.21 -3.08 116.25 116.97 1ug2 h VAL 60 Ca 0.00 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 66.87 1ug2 h VAL 60 Cb 0.94 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1ug2 h VAL 60 CO 0.00 0.00 0.37 0.40 0.02 0.00 0.00 177.57 178.36 1ug2 h ILE 61 N -1.06 0.90 -0.89 4.57 2.04 -1.53 0.93 117.51 122.46 1ug2 h ILE 61 Ca -0.03 -0.22 0.23 0.00 1.00 0.00 0.00 64.86 65.83 1ug2 h ILE 61 Cb 0.25 0.19 -0.13 0.00 -0.74 0.00 0.00 36.82 36.39 1ug2 h ILE 61 CO 0.05 0.12 0.36 -1.28 0.00 0.00 0.00 178.15 177.40 1ug2 h SER 62 N 0.65 0.25 0.08 1.72 0.87 -1.63 0.82 113.55 116.31 1ug2 h SER 62 Ca 0.34 0.17 -0.27 0.00 -1.23 0.00 0.00 61.79 60.79 1ug2 h SER 62 Cb 0.30 0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1ug2 h SER 62 CO -0.24 -0.05 -1.09 1.56 -0.53 0.00 0.00 176.83 176.48 1ug2 h GLN 63 N 0.34 0.65 0.00 2.24 4.20 -0.98 -2.91 115.11 118.65 1ug2 h GLN 63 Ca 0.57 -0.74 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1ug2 h GLN 63 Cb 1.11 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 1ug2 h GLN 63 CO -0.57 1.32 -0.07 1.96 -0.67 0.00 0.00 178.83 180.81 1ug2 h GLN 64 N 0.34 0.00 -0.03 1.46 1.08 0.18 -2.23 115.11 115.90 1ug2 h GLN 64 Ca -0.14 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1ug2 h GLN 64 Cb 1.75 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.18 1ug2 h GLN 64 CO 0.21 0.07 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.05 1ug2 h LEU 65 N 0.00 0.09 0.00 1.46 3.38 0.51 -3.49 115.31 117.27 1ug2 h LEU 65 Ca -0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1ug2 h LEU 65 Cb 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ug2 h LEU 65 CO 0.01 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1ug2 n GLY 66 N 0.28 2.82 0.23 0.83 0.00 -0.84 -4.81 105.19 103.70 1ug2 n GLY 66 Ca -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.06 -4.78 1.61 3.02 -1.26 -4.87 115.26 109.04 1ug2 n ASN 67 Ca 0.00 -1.50 -0.31 0.00 -0.03 0.00 0.00 54.58 52.73 1ug2 n ASN 67 Cb 0.00 -0.10 0.07 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.06 2.54 0.26 3.52 2.47 -1.11 -5.06 119.74 122.31 1ug2 s LYS 68 Ca 0.00 1.15 0.07 0.00 -1.56 0.00 0.00 55.97 55.64 1ug2 s LYS 68 Cb 0.00 -1.93 -0.04 0.00 -1.46 0.00 0.00 37.83 34.41 1ug2 s LYS 68 CO 0.00 -1.42 0.20 0.95 0.16 0.00 0.00 175.35 175.24 1ug2 s THR 69 N -2.84 4.36 -0.47 3.43 -4.23 -1.26 -4.43 115.64 110.20 1ug2 s THR 69 Ca 0.61 -1.41 0.26 0.00 -1.18 0.00 0.00 61.69 59.98 1ug2 s THR 69 Cb -0.17 -3.38 0.30 0.00 1.34 0.00 0.00 72.50 70.59 1ug2 s THR 69 CO 0.53 -0.34 1.76 1.55 -0.54 0.00 0.00 174.62 177.59 1ug2 h PRO 70 N 1.47 0.00 0.13 3.99 0.13 -1.92 -1.51 132.00 134.29 1ug2 h PRO 70 Ca -0.48 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.31 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 0.60 0.00 -1.74 -0.24 -0.23 0.00 0.00 178.00 176.40 1ug2 h VAL 71 N 0.00 0.92 -0.22 1.56 3.04 -1.95 -3.11 116.25 116.49 1ug2 h VAL 71 Ca 0.00 -2.58 -0.20 0.00 -1.01 0.00 0.00 66.70 62.91 1ug2 h VAL 71 Cb 0.61 2.67 0.00 0.00 -2.01 0.00 0.00 31.29 32.56 1ug2 h VAL 71 CO 0.00 0.82 -0.64 -0.33 -1.01 0.00 0.00 177.57 176.41 1ug2 h GLU 72 N 0.08 0.80 -0.22 4.17 4.39 -1.93 -2.26 114.58 119.61 1ug2 h GLU 72 Ca -0.33 -0.57 -0.00 0.00 0.34 0.00 0.00 59.36 58.81 1ug2 h GLU 72 Cb 2.05 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.78 1ug2 h GLU 72 CO 0.14 1.19 0.13 0.28 -1.16 0.00 0.00 179.01 179.59 1ug2 h VAL 73 N 0.59 1.09 0.00 3.13 2.07 -1.42 0.88 116.25 122.60 1ug2 h VAL 73 Ca -0.01 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1ug2 h VAL 73 Cb 1.25 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1ug2 h VAL 73 CO 0.14 0.09 -0.09 -1.28 0.02 0.00 0.00 177.57 176.45 1ug2 h SER 74 N 0.26 0.00 0.96 0.57 0.87 -1.53 0.35 113.55 115.04 1ug2 h SER 74 Ca 0.08 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.46 1ug2 h SER 74 Cb 0.03 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1ug2 h SER 74 CO -0.01 0.09 -0.86 0.45 -0.53 0.00 0.00 176.83 175.97 1ug2 h HIS 75 N 0.00 0.00 0.06 2.24 -0.00 -0.61 -2.16 115.15 114.68 1ug2 h HIS 75 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 60.10 1ug2 h HIS 75 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1ug2 h HIS 75 CO 0.00 0.86 -1.33 -0.09 -0.00 0.00 0.00 177.93 177.36 1ug2 h ARG 76 N 0.00 0.12 -0.14 2.45 9.65 0.82 -2.68 114.38 124.60 1ug2 h ARG 76 Ca -0.01 -0.20 -0.17 0.00 -1.10 0.00 0.00 59.98 58.50 1ug2 h ARG 76 Cb 1.57 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 30.22 1ug2 h ARG 76 CO 0.11 0.98 -0.62 0.35 2.80 0.00 0.00 179.97 183.59 1ug2 h PHE 77 N 0.03 0.64 0.00 2.20 3.57 -0.40 -1.00 116.94 121.98 1ug2 h PHE 77 Ca -0.15 -0.25 -0.06 0.00 3.53 0.00 0.00 57.97 61.04 1ug2 h PHE 77 Cb 1.92 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.54 1ug2 h PHE 77 CO 0.03 0.98 -0.29 0.07 -2.23 0.00 0.00 178.31 176.88 1ug2 h ARG 78 N 0.36 0.00 0.07 1.11 -0.00 -1.48 -3.12 114.38 111.32 1ug2 h ARG 78 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.86 1ug2 h ARG 78 Cb 1.18 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.16 1ug2 h ARG 78 CO 0.11 0.29 -0.49 0.93 -0.00 0.00 0.00 179.97 180.81 1ug2 h GLU 79 N 0.00 0.22 0.08 0.08 4.39 -1.31 -2.94 114.58 115.10 1ug2 h GLU 79 Ca -0.00 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.40 1ug2 h GLU 79 Cb 1.16 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.87 1ug2 h GLU 79 CO 0.04 1.11 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.52 1ug2 h LEU 80 N -0.52 -1.22 -0.70 1.33 3.38 -1.24 0.39 115.31 116.73 1ug2 h LEU 80 Ca -0.08 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ug2 h LEU 80 Cb 1.34 0.46 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1ug2 h LEU 80 CO 0.09 -0.47 0.00 0.23 0.09 0.00 0.00 178.44 178.38 1ug2 n MET 81 N -5.46 0.08 0.04 1.13 2.81 -1.18 -2.26 117.12 112.29 1ug2 n MET 81 Ca -0.07 0.53 -0.09 0.00 -1.81 0.00 0.00 57.70 56.27 1ug2 n MET 81 Cb 0.37 -1.74 -0.06 0.00 -0.71 0.00 0.00 33.22 31.08 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 -0.19 -0.16 0.03 -0.00 -0.06 -2.68 115.11 112.05 1ug2 h GLN 82 Ca 0.00 0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.69 1ug2 h GLN 82 Cb 0.06 0.04 -0.06 0.00 0.00 0.00 0.00 27.48 27.53 1ug2 h GLN 82 CO 0.00 0.19 -0.48 -0.07 0.00 0.00 0.00 178.83 178.47 1ug2 h LEU 83 N -0.95 -1.55 -0.53 -2.39 3.38 -0.88 -1.25 115.31 111.13 1ug2 h LEU 83 Ca -0.02 0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1ug2 h LEU 83 Cb 0.47 0.61 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 1ug2 h LEU 83 CO 0.03 -0.42 -0.36 -0.26 0.09 0.00 0.00 178.44 177.53 1ug2 h PHE 84 N -0.49 -1.02 -0.26 1.13 0.04 -1.68 -1.68 116.94 112.99 1ug2 h PHE 84 Ca 0.03 0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.90 1ug2 h PHE 84 Cb 0.59 0.52 -0.04 0.00 2.20 0.00 0.00 35.95 39.22 1ug2 h PHE 84 CO -0.60 -0.40 -0.22 0.45 -0.60 0.00 0.00 178.31 176.95 1ug2 h HIS 85 N -0.21 -0.69 -2.89 -0.55 3.86 -0.95 -3.38 115.15 110.33 1ug2 h HIS 85 Ca 0.20 0.04 -0.44 0.00 -1.16 0.00 0.00 60.37 59.01 1ug2 h HIS 85 Cb 0.55 0.33 -0.40 0.00 1.06 0.00 0.00 27.41 28.96 1ug2 h HIS 85 CO -0.63 -0.17 -0.73 0.95 0.86 0.00 0.00 177.93 178.21 1ug2 s THR 86 N -3.99 -0.14 0.13 2.45 -4.23 -0.56 -5.11 115.64 104.19 1ug2 s THR 86 Ca -0.05 -0.25 -0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1ug2 s THR 86 Cb 0.04 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 1ug2 s THR 86 CO 0.24 -0.34 0.03 0.00 -0.54 0.00 0.00 174.62 174.01 1ug2 s ALA 87 N 2.17 0.91 0.05 3.99 0.00 -0.70 -4.54 121.76 123.65 1ug2 s ALA 87 Ca 0.04 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.50 1ug2 s ALA 87 Cb -0.16 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 1ug2 s ALA 87 CO -0.14 -0.44 0.05 0.00 0.00 0.00 0.00 175.76 175.23 1ug2 s GLU 89 N -3.22 3.63 0.11 0.00 2.12 -1.26 -4.98 118.70 115.10 1ug2 s GLU 89 Ca 0.00 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.31 1ug2 s GLU 89 Cb 0.03 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.33 1ug2 s GLU 89 CO -0.07 -0.54 0.00 0.43 -0.54 0.00 0.00 175.26 174.54 1ug2 n SER 90 N -2.07 -0.02 0.00 -1.70 7.64 -1.26 -5.12 113.62 111.10 1ug2 n SER 90 Ca 0.07 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1ug2 n SER 90 Cb 0.54 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1ug2 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug2 n GLY 91 N 1.69 2.97 2.43 0.23 0.00 -1.26 -5.03 105.19 106.23 1ug2 n GLY 91 Ca 0.00 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 43.92 1ug2 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug2 n PRO 92 N -0.12 -1.63 0.16 1.61 -0.04 -1.26 -4.41 135.00 129.31 1ug2 n PRO 92 Ca 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1ug2 n PRO 92 Cb 0.00 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -3.90 -1.65 -4.63 3.54 2.88 -1.26 -5.02 113.62 103.58 1ug2 n SER 93 Ca 0.11 0.58 -0.45 0.00 -1.33 0.00 0.00 58.87 57.78 1ug2 n SER 93 Cb 0.38 1.68 -0.02 0.00 -0.75 0.00 0.00 64.21 65.50 1ug2 n SER 93 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ug2 n SER 94 N -3.33 1.94 0.00 -3.46 7.64 -1.26 -5.28 113.62 109.87 1ug2 n SER 94 Ca 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1ug2 n SER 94 Cb 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 1ug2 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64