#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 -0.15 -2.06 1.61 0.13 -2.13 -3.50 132.00 125.90 1ug2 h PRO 2 Ca 0.00 0.01 0.22 0.00 -0.87 0.00 0.00 66.00 65.36 1ug2 h PRO 2 Cb 0.00 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.07 1ug2 h PRO 2 CO 0.00 0.30 -0.60 0.45 -0.23 0.00 0.00 178.00 177.93 1ug2 n SER 3 N -4.86 -5.14 -1.69 1.44 2.88 -1.26 -4.99 113.62 100.00 1ug2 n SER 3 Ca -0.07 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1ug2 n SER 3 Cb 0.26 -2.87 0.00 0.00 -0.75 0.00 0.00 64.21 60.85 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 -3.56 1.77 3.73 0.46 0.00 -1.26 -5.15 105.19 101.18 1ug2 n GLY 4 Ca -0.03 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.00 -0.13 0.49 1.61 0.15 -1.26 -5.16 113.70 108.40 1ug2 s SER 5 Ca 0.00 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1ug2 s SER 5 Cb 0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1ug2 s SER 5 CO 0.00 -0.72 0.00 -1.20 1.20 0.00 0.00 173.24 172.52 1ug2 n SER 6 N -0.53 -6.23 0.00 5.45 7.64 -1.26 -5.08 113.62 113.61 1ug2 n SER 6 Ca -0.07 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1ug2 n SER 6 Cb 0.61 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.91 1ug2 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug2 n GLY 7 N -3.86 2.33 3.49 0.23 0.00 -1.26 -5.19 105.19 100.93 1ug2 n GLY 7 Ca -0.07 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -1.80 0.00 4.61 0.00 -1.26 -5.19 121.76 118.13 1ug2 s ALA 8 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1ug2 s ALA 8 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1ug2 s ALA 8 CO 0.00 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.48 1ug2 n GLY 9 N -0.24 1.38 3.77 0.00 0.00 -1.26 -5.19 105.19 103.65 1ug2 n GLY 9 Ca -0.10 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.63 0.58 4.61 0.00 -1.26 -5.16 121.76 116.90 1ug2 s ALA 10 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1ug2 s ALA 10 Cb 0.00 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1ug2 s ALA 10 CO 0.00 -1.05 0.00 1.28 0.00 0.00 0.00 175.76 175.99 1ug2 n LEU 11 N -0.49 -0.97 -4.77 0.00 4.32 -1.26 -5.01 117.00 108.82 1ug2 n LEU 11 Ca -0.06 2.26 -0.30 0.00 -0.02 0.00 0.00 56.01 57.89 1ug2 n LEU 11 Cb 0.61 -3.25 0.21 0.00 -1.62 0.00 0.00 43.42 39.37 1ug2 n LEU 11 CO 0.14 -2.22 0.75 -2.16 -1.22 0.00 0.00 177.39 172.68 1ug2 s PRO 12 N -4.06 -0.25 0.57 3.23 0.04 -1.26 -5.16 135.00 128.12 1ug2 s PRO 12 Ca 0.00 -0.23 -0.00 0.00 0.04 0.00 0.00 61.00 60.80 1ug2 s PRO 12 Cb 0.00 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.85 1ug2 s PRO 12 CO 0.00 -3.04 0.81 -1.59 0.04 0.00 0.00 177.00 173.22 1ug2 s LYS 13 N -5.65 2.54 0.54 4.56 0.00 -1.26 -5.03 119.74 115.44 1ug2 s LYS 13 Ca 0.72 -0.65 -0.19 0.00 0.00 0.00 0.00 55.97 55.85 1ug2 s LYS 13 Cb -0.07 -2.43 -0.09 0.00 0.00 0.00 0.00 37.83 35.23 1ug2 s LYS 13 CO 0.54 -0.77 0.54 0.00 0.00 0.00 0.00 175.35 175.67 1ug2 n ALA 14 N -2.42 -1.14 -2.42 0.59 0.00 -1.26 -4.99 120.51 108.86 1ug2 n ALA 14 Ca 0.07 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.29 1ug2 n ALA 14 Cb 0.60 -1.83 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 1ug2 n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ug2 s SER 15 N -1.11 4.49 0.64 0.00 0.15 -1.26 -5.14 113.70 111.47 1ug2 s SER 15 Ca 0.68 -1.06 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 1ug2 s SER 15 Cb -0.47 -0.43 0.05 0.00 -1.71 0.00 0.00 66.02 63.46 1ug2 s SER 15 CO 0.55 -0.59 0.92 -1.61 1.20 0.00 0.00 173.24 173.71 1ug2 s GLU 16 N -3.94 2.31 0.47 5.44 0.41 -1.26 -5.11 118.70 117.01 1ug2 s GLU 16 Ca 0.41 -0.50 0.06 0.00 -0.41 0.00 0.00 54.97 54.53 1ug2 s GLU 16 Cb 0.03 -2.30 -0.01 0.00 -1.78 0.00 0.00 34.13 30.07 1ug2 s GLU 16 CO 0.23 -1.04 0.30 0.00 -0.49 0.00 0.00 175.26 174.25 1ug2 s ALA 17 N -3.05 4.06 0.04 5.21 0.00 -1.26 -5.14 121.76 121.61 1ug2 s ALA 17 Ca 0.59 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 51.03 1ug2 s ALA 17 Cb -0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1ug2 s ALA 17 CO 0.42 -0.28 -0.23 0.99 0.00 0.00 0.00 175.76 176.66 1ug2 s THR 18 N -2.67 1.87 0.06 0.00 2.01 -1.26 -5.14 115.64 110.51 1ug2 s THR 18 Ca 0.37 -1.26 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1ug2 s THR 18 Cb -0.00 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1ug2 s THR 18 CO 0.22 0.29 0.13 0.54 -0.69 0.00 0.00 174.62 175.10 1ug2 s VAL 19 N -0.79 4.89 -0.06 3.82 0.11 -1.26 -5.11 120.40 122.01 1ug2 s VAL 19 Ca 0.09 -0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1ug2 s VAL 19 Cb -0.09 -3.34 -0.03 0.00 -1.53 0.00 0.00 36.38 31.38 1ug2 s VAL 19 CO 0.02 0.18 0.01 0.00 -3.33 0.00 0.00 175.10 171.98 1ug2 s ALA 21 N -0.97 0.76 0.35 0.00 0.00 -1.26 -5.07 121.76 115.56 1ug2 s ALA 21 Ca 0.16 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.42 1ug2 s ALA 21 Cb -0.11 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 1ug2 s ALA 21 CO 0.06 -3.33 0.01 0.54 0.00 0.00 0.00 175.76 173.03 1ug2 s ASN 22 N -3.80 4.13 0.04 0.00 2.20 -1.26 -5.15 114.94 111.09 1ug2 s ASN 22 Ca 0.69 -1.03 -0.08 0.00 -0.94 0.00 0.00 52.86 51.50 1ug2 s ASN 22 Cb -0.12 -0.50 0.00 0.00 -2.00 0.00 0.00 41.25 38.62 1ug2 s ASN 22 CO 0.56 -0.25 0.17 0.21 -2.94 0.00 0.00 177.10 174.85 1ug2 s ASN 23 N -3.71 0.07 0.60 3.54 3.84 -1.26 -5.14 114.94 112.88 1ug2 s ASN 23 Ca 0.35 -0.39 -0.18 0.00 0.21 0.00 0.00 52.86 52.84 1ug2 s ASN 23 Cb 0.01 0.27 -0.06 0.00 -0.55 0.00 0.00 41.25 40.92 1ug2 s ASN 23 CO 0.19 -0.53 0.78 -1.54 -2.79 0.00 0.00 177.10 173.21 1ug2 n SER 24 N 0.76 -0.03 0.00 -4.21 3.41 -1.26 -4.79 113.62 107.51 1ug2 n SER 24 Ca -0.19 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1ug2 n SER 24 Cb 0.59 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1ug2 n SER 24 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1ug2 n LYS 25 N -0.70 0.00 -1.61 4.33 -0.00 -1.26 -5.12 118.16 113.80 1ug2 n LYS 25 Ca 0.13 0.00 -0.56 0.00 -0.00 0.00 0.00 58.31 57.88 1ug2 n LYS 25 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.44 1ug2 n LYS 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1ug2 n VAL 26 N -0.97 0.07 -3.22 0.58 3.14 -1.26 -4.92 118.33 111.75 1ug2 n VAL 26 Ca 0.00 -0.01 0.04 0.00 -2.96 0.00 0.00 64.34 61.40 1ug2 n VAL 26 Cb 0.00 -0.75 -0.03 0.00 -1.06 0.00 0.00 33.84 31.99 1ug2 n VAL 26 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1ug2 s SER 27 N 1.28 -0.22 -0.66 6.55 0.15 -1.26 -5.10 113.70 114.43 1ug2 s SER 27 Ca 0.90 0.26 0.05 0.00 0.70 0.00 0.00 55.95 57.86 1ug2 s SER 27 Cb -1.07 1.24 0.16 0.00 -1.71 0.00 0.00 66.02 64.64 1ug2 s SER 27 CO 0.55 -0.04 0.45 -0.44 1.20 0.00 0.00 173.24 174.96 1ug2 s SER 28 N 2.36 4.54 0.07 5.45 0.01 -1.26 -5.03 113.70 119.84 1ug2 s SER 28 Ca -0.02 -3.67 -0.08 0.00 1.31 0.00 0.00 55.95 53.49 1ug2 s SER 28 Cb -0.04 -1.56 -0.00 0.00 0.21 0.00 0.00 66.02 64.63 1ug2 s SER 28 CO -0.15 -0.11 0.17 0.28 0.41 0.00 0.00 173.24 173.84 1ug2 s THR 29 N -1.17 0.14 0.00 1.44 -1.32 -1.26 -5.08 115.64 108.38 1ug2 s THR 29 Ca 0.24 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 1ug2 s THR 29 Cb -0.08 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 1ug2 s THR 29 CO -0.14 -0.62 0.00 0.61 -2.21 0.00 0.00 174.62 172.26 1ug2 n GLY 30 N 0.26 -1.18 2.02 6.08 0.00 -1.26 -5.03 105.19 106.08 1ug2 n GLY 30 Ca -0.17 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 -4.80 -3.50 1.61 2.13 -1.26 -4.99 120.64 109.83 1ug2 n GLU 31 Ca 0.00 3.49 -0.00 0.00 0.66 0.00 0.00 57.16 61.31 1ug2 n GLU 31 Cb 0.00 -3.98 -0.05 0.00 0.27 0.00 0.00 31.44 27.69 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 -0.86 0.37 -0.23 5.31 2.20 -1.26 -5.14 119.74 120.13 1ug2 s LYS 32 Ca 0.00 0.84 -0.19 0.00 -0.36 0.00 0.00 55.97 56.26 1ug2 s LYS 32 Cb 0.00 0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 36.71 1ug2 s LYS 32 CO 0.00 -0.11 0.55 0.54 -0.36 0.00 0.00 175.35 175.97 1ug2 s VAL 33 N 2.24 5.06 0.08 4.02 0.11 -1.26 -4.71 120.40 125.94 1ug2 s VAL 33 Ca -0.05 0.99 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1ug2 s VAL 33 Cb -0.06 -3.87 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 1ug2 s VAL 33 CO -0.17 0.10 0.00 0.55 -3.33 0.00 0.00 175.10 172.25 1ug2 n VAL 34 N 4.93 0.00 0.00 2.04 3.14 -1.26 -5.08 118.33 122.10 1ug2 n VAL 34 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1ug2 n VAL 34 Cb 0.50 -0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 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 -2.65 0.00 -4.70 6.55 0.00 -1.26 -5.09 117.00 109.85 1ug2 n LEU 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.59 1ug2 n LEU 35 Cb 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 43.42 43.66 1ug2 n LEU 35 CO 0.00 -0.43 1.04 0.26 0.00 0.00 0.00 177.39 178.26 1ug2 s TRP 36 N -0.86 3.06 0.21 1.96 0.52 -1.26 -4.99 118.94 117.58 1ug2 s TRP 36 Ca 0.00 0.99 -0.20 0.00 0.02 0.00 0.00 56.10 56.91 1ug2 s TRP 36 Cb 0.00 -3.58 -0.08 0.00 -1.15 0.00 0.00 33.47 28.66 1ug2 s TRP 36 CO 0.00 -2.03 0.72 0.99 0.02 0.00 0.00 176.95 176.66 1ug2 s THR 37 N 1.98 4.56 0.10 2.01 2.01 -1.26 -4.84 115.64 120.19 1ug2 s THR 37 Ca 0.61 1.31 -0.26 0.00 0.31 0.00 0.00 61.69 63.67 1ug2 s THR 37 Cb -0.30 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 1ug2 s THR 37 CO 0.26 0.24 1.43 -0.09 -0.69 0.00 0.00 174.62 175.77 1ug2 h ARG 38 N 3.52 -0.35 -0.97 4.92 9.65 -1.94 -0.37 114.38 128.84 1ug2 h ARG 38 Ca -0.48 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 58.56 1ug2 h ARG 38 Cb 1.19 0.08 -0.15 0.00 -1.39 0.00 0.00 29.97 29.71 1ug2 h ARG 38 CO 0.65 -0.23 -0.43 0.39 2.80 0.00 0.00 179.97 183.15 1ug2 n GLU 39 N -4.78 -0.28 -0.27 0.20 1.02 -1.26 0.19 120.64 115.46 1ug2 n GLU 39 Ca -0.03 1.48 0.06 0.00 -0.02 0.00 0.00 57.16 58.65 1ug2 n GLU 39 Cb 0.28 -2.19 0.20 0.00 -0.02 0.00 0.00 31.44 29.71 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 1.11 1.14 -0.31 0.62 0.00 -1.64 1.30 119.26 121.48 1ug2 h ALA 40 Ca 0.29 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 1ug2 h ALA 40 Cb 0.53 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ug2 h ALA 40 CO -0.95 -0.18 -0.35 -0.44 0.00 0.00 0.00 179.25 177.34 1ug2 h ASP 41 N 0.50 0.74 0.41 0.00 5.19 0.37 -2.87 116.42 120.76 1ug2 h ASP 41 Ca 0.43 -0.31 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1ug2 h ASP 41 Cb 0.65 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1ug2 h ASP 41 CO -0.39 1.02 -0.20 0.03 -3.12 0.00 0.00 179.24 176.58 1ug2 h ARG 42 N 0.59 -0.53 -0.93 3.56 2.47 0.57 -3.04 114.38 117.07 1ug2 h ARG 42 Ca 0.06 0.04 0.26 0.00 -1.26 0.00 0.00 59.98 59.08 1ug2 h ARG 42 Cb 0.88 0.12 -0.16 0.00 -1.65 0.00 0.00 29.97 29.15 1ug2 h ARG 42 CO 0.08 -0.23 0.14 0.28 0.56 0.00 0.00 179.97 180.80 1ug2 h VAL 43 N -0.87 0.15 -0.13 2.04 2.07 0.15 0.34 116.25 119.99 1ug2 h VAL 43 Ca -0.06 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1ug2 h VAL 43 Cb 0.55 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1ug2 h VAL 43 CO 0.09 0.02 -0.45 0.40 0.02 0.00 0.00 177.57 177.64 1ug2 h ILE 44 N 0.08 0.00 -0.27 4.57 2.04 -1.39 1.28 117.51 123.82 1ug2 h ILE 44 Ca 0.59 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.49 1ug2 h ILE 44 Cb 1.23 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1ug2 h ILE 44 CO -0.79 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 177.29 1ug2 h LEU 45 N -0.47 -0.09 0.10 1.44 3.38 -0.50 1.43 115.31 120.59 1ug2 h LEU 45 Ca 0.03 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ug2 h LEU 45 Cb 0.56 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1ug2 h LEU 45 CO -0.38 -0.01 -0.43 0.74 0.09 0.00 0.00 178.44 178.45 1ug2 h THR 46 N 0.09 0.00 0.07 0.22 2.02 0.63 1.45 112.91 117.39 1ug2 h THR 46 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1ug2 h THR 46 Cb 0.16 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1ug2 h THR 46 CO -0.21 0.00 -0.04 0.24 0.37 0.00 0.00 175.52 175.88 1ug2 h MET 47 N -0.61 -0.10 0.00 6.66 2.86 0.19 1.03 114.93 124.95 1ug2 h MET 47 Ca -0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ug2 h MET 47 Cb 0.61 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1ug2 h MET 47 CO -0.23 -0.01 0.02 0.00 1.06 0.00 0.00 176.91 177.75 1ug2 n GLN 49 N -2.70 0.35 0.46 0.00 7.27 0.49 0.19 117.38 123.44 1ug2 n GLN 49 Ca -0.02 0.45 -0.18 0.00 0.07 0.00 0.00 57.00 57.32 1ug2 n GLN 49 Cb 0.08 -1.46 -0.09 0.00 2.41 0.00 0.00 30.24 31.18 1ug2 n GLN 49 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1ug2 h GLU 50 N -0.76 -1.14 -0.07 3.69 4.81 0.13 -3.20 114.58 118.04 1ug2 h GLU 50 Ca 0.00 0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 1ug2 h GLU 50 Cb 0.40 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1ug2 h GLU 50 CO 0.00 -0.76 -0.69 1.96 -0.73 0.00 0.00 179.01 178.79 1ug2 h GLN 51 N -1.32 0.31 0.00 1.92 4.20 0.35 -3.50 115.11 117.07 1ug2 h GLN 51 Ca -0.12 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1ug2 h GLN 51 Cb 0.91 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1ug2 h GLN 51 CO 0.20 0.88 0.00 0.41 -0.67 0.00 0.00 178.83 179.65 1ug2 n GLY 52 N 0.46 2.91 2.43 3.46 0.00 0.45 -4.81 105.19 110.09 1ug2 n GLY 52 Ca -0.03 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 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 0.46 5.77 -1.93 4.61 0.00 0.49 -4.15 120.51 125.76 1ug2 n ALA 53 Ca 0.00 -2.42 -0.27 0.00 0.00 0.00 0.00 53.44 50.75 1ug2 n ALA 53 Cb 0.00 -3.02 0.07 0.00 0.00 0.00 0.00 19.45 16.50 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 2.66 2.23 -0.05 0.00 1.11 -1.26 -5.02 119.66 119.32 1ug2 s GLN 54 Ca 0.52 -0.12 -0.25 0.00 0.01 0.00 0.00 55.36 55.52 1ug2 s GLN 54 Cb 0.15 -2.12 -0.23 0.00 -1.01 0.00 0.00 33.01 29.81 1ug2 s GLN 54 CO -0.04 -1.27 1.06 -1.00 0.01 0.00 0.00 175.29 174.04 1ug2 h PRO 55 N -0.68 0.14 -0.26 2.91 0.13 -2.01 -3.26 132.00 128.97 1ug2 h PRO 55 Ca -0.45 -0.14 -0.13 0.00 -0.87 0.00 0.00 66.00 64.41 1ug2 h PRO 55 Cb 1.31 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1ug2 h PRO 55 CO 0.62 0.85 -0.38 1.25 -0.23 0.00 0.00 178.00 180.11 1ug2 h HIS 56 N -0.52 0.72 -0.90 1.56 2.76 -1.97 -3.01 115.15 113.80 1ug2 h HIS 56 Ca -0.02 -0.21 0.24 0.00 -2.20 0.00 0.00 60.37 58.19 1ug2 h HIS 56 Cb 0.90 -0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.57 1ug2 h HIS 56 CO 0.17 0.90 0.30 1.15 -1.30 0.00 0.00 177.93 179.15 1ug2 h THR 57 N 0.51 0.33 -0.01 6.26 2.02 -1.88 1.44 112.91 121.58 1ug2 h THR 57 Ca 0.05 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1ug2 h THR 57 Cb 0.89 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1ug2 h THR 57 CO 0.08 0.04 0.41 -0.26 0.37 0.00 0.00 175.52 176.16 1ug2 h PHE 58 N 0.25 0.00 0.00 3.16 0.04 -1.57 1.45 116.94 120.27 1ug2 h PHE 58 Ca 0.58 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.35 1ug2 h PHE 58 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1ug2 h PHE 58 CO -0.22 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.52 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.87 0.18 -2.17 113.55 114.60 1ug2 h SER 59 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1ug2 h SER 59 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1ug2 h SER 59 CO -0.00 0.00 -0.15 0.58 -0.53 0.00 0.00 176.83 176.73 1ug2 h VAL 60 N 0.00 0.00 -0.51 2.23 2.07 0.19 -3.33 116.25 116.91 1ug2 h VAL 60 Ca 0.00 -0.63 0.10 0.00 0.82 0.00 0.00 66.70 66.99 1ug2 h VAL 60 Cb 0.59 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.26 1ug2 h VAL 60 CO 0.00 0.00 -0.20 0.40 0.02 0.00 0.00 177.57 177.79 1ug2 h ILE 61 N -0.63 0.37 -1.00 4.57 2.04 -1.62 0.38 117.51 121.62 1ug2 h ILE 61 Ca 0.00 0.00 0.40 0.00 1.00 0.00 0.00 64.86 66.26 1ug2 h ILE 61 Cb 0.15 0.37 -0.18 0.00 -0.74 0.00 0.00 36.82 36.42 1ug2 h ILE 61 CO 0.00 0.00 0.48 -1.28 0.00 0.00 0.00 178.15 177.35 1ug2 h SER 62 N -0.08 0.23 0.24 1.72 0.87 -1.57 1.48 113.55 116.42 1ug2 h SER 62 Ca 0.24 0.26 -0.33 0.00 -1.23 0.00 0.00 61.79 60.73 1ug2 h SER 62 Cb 0.45 0.29 0.04 0.00 -0.44 0.00 0.00 62.40 62.74 1ug2 h SER 62 CO -0.57 -0.42 -1.44 1.56 -0.53 0.00 0.00 176.83 175.44 1ug2 h GLN 63 N 0.02 0.56 -0.95 2.24 4.20 -0.47 -2.58 115.11 118.12 1ug2 h GLN 63 Ca 0.81 -0.92 0.02 0.00 0.06 0.00 0.00 58.65 58.63 1ug2 h GLN 63 Cb 2.09 0.34 -0.05 0.00 0.30 0.00 0.00 27.48 30.16 1ug2 h GLN 63 CO -0.78 1.44 0.63 1.96 -0.67 0.00 0.00 178.83 181.40 1ug2 h GLN 64 N 0.17 1.21 0.03 1.46 1.08 0.39 -2.52 115.11 116.93 1ug2 h GLN 64 Ca -0.25 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 56.91 1ug2 h GLN 64 Cb 2.13 -0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 29.25 1ug2 h GLN 64 CO 0.27 0.80 -0.25 -0.07 -0.95 0.00 0.00 178.83 178.63 1ug2 h LEU 65 N 1.25 -0.75 0.00 1.46 3.38 0.77 -3.48 115.31 117.95 1ug2 h LEU 65 Ca 0.36 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1ug2 h LEU 65 Cb -0.08 0.30 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ug2 h LEU 65 CO -0.10 -0.33 0.00 0.61 0.09 0.00 0.00 178.44 178.71 1ug2 n GLY 66 N -1.37 0.69 0.45 0.83 0.00 -0.95 -4.88 105.19 99.96 1ug2 n GLY 66 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.60 1.61 3.02 -1.26 -4.86 115.26 110.17 1ug2 n ASN 67 Ca 0.00 -1.84 -0.30 0.00 -0.03 0.00 0.00 54.58 52.40 1ug2 n ASN 67 Cb 0.00 -0.17 0.25 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.60 0.18 3.52 2.47 -0.97 -5.04 119.74 118.29 1ug2 s LYS 68 Ca 0.00 -0.21 0.06 0.00 -1.56 0.00 0.00 55.97 54.26 1ug2 s LYS 68 Cb 0.00 -1.56 -0.05 0.00 -1.46 0.00 0.00 37.83 34.76 1ug2 s LYS 68 CO 0.00 -3.93 -0.12 0.95 0.16 0.00 0.00 175.35 172.41 1ug2 s THR 69 N -3.02 1.43 -0.44 3.43 -4.23 -1.26 -4.57 115.64 106.98 1ug2 s THR 69 Ca 0.72 -2.13 0.26 0.00 -1.18 0.00 0.00 61.69 59.37 1ug2 s THR 69 Cb -0.07 -1.96 0.31 0.00 1.34 0.00 0.00 72.50 72.11 1ug2 s THR 69 CO 0.56 -0.66 1.77 1.55 -0.54 0.00 0.00 174.62 177.29 1ug2 h PRO 70 N 2.66 0.00 0.01 3.99 0.13 -1.92 0.11 132.00 136.97 1ug2 h PRO 70 Ca -0.37 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.51 1ug2 h PRO 70 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1ug2 h PRO 70 CO 0.63 0.00 -1.28 -0.24 -0.23 0.00 0.00 178.00 176.88 1ug2 h VAL 71 N 0.00 1.38 0.06 1.56 3.04 -1.96 -3.19 116.25 117.15 1ug2 h VAL 71 Ca 0.00 -3.14 -0.23 0.00 -1.01 0.00 0.00 66.70 62.32 1ug2 h VAL 71 Cb 0.62 2.69 -0.01 0.00 -2.01 0.00 0.00 31.29 32.58 1ug2 h VAL 71 CO 0.00 0.80 -1.18 -0.33 -1.01 0.00 0.00 177.57 175.85 1ug2 h GLU 72 N 0.00 0.13 -0.95 4.17 4.39 -1.92 -3.02 114.58 117.38 1ug2 h GLU 72 Ca -0.12 -0.22 0.21 0.00 0.34 0.00 0.00 59.36 59.57 1ug2 h GLU 72 Cb 1.87 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 30.49 1ug2 h GLU 72 CO 0.11 1.11 0.51 0.28 -1.16 0.00 0.00 179.01 179.86 1ug2 h VAL 73 N -0.61 0.58 -0.22 3.13 2.07 -0.94 0.32 116.25 120.58 1ug2 h VAL 73 Ca -0.28 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1ug2 h VAL 73 Cb 1.52 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1ug2 h VAL 73 CO -0.03 0.10 -0.23 -1.28 0.02 0.00 0.00 177.57 176.15 1ug2 h SER 74 N 0.57 0.59 -0.57 0.57 0.87 -1.68 0.20 113.55 114.09 1ug2 h SER 74 Ca 0.58 -0.48 0.09 0.00 -1.23 0.00 0.00 61.79 60.75 1ug2 h SER 74 Cb 1.03 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 1ug2 h SER 74 CO -0.46 0.94 0.38 0.45 -0.53 0.00 0.00 176.83 177.62 1ug2 h HIS 75 N 0.24 0.42 0.08 2.24 -0.00 -0.49 0.56 115.15 118.19 1ug2 h HIS 75 Ca 0.03 0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 60.25 1ug2 h HIS 75 Cb 0.78 -0.14 0.02 0.00 -0.00 0.00 0.00 27.41 28.07 1ug2 h HIS 75 CO 0.08 0.21 -0.69 -0.09 -0.00 0.00 0.00 177.93 177.43 1ug2 h ARG 76 N 0.40 0.34 -0.18 2.45 9.65 -0.32 -2.71 114.38 124.01 1ug2 h ARG 76 Ca 0.26 -0.46 -0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1ug2 h ARG 76 Cb 0.50 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 1ug2 h ARG 76 CO -0.07 1.17 0.10 0.35 2.80 0.00 0.00 179.97 184.32 1ug2 h PHE 77 N -0.27 0.25 0.00 2.20 3.57 0.05 0.58 116.94 123.32 1ug2 h PHE 77 Ca -0.11 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 1ug2 h PHE 77 Cb 1.48 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 1ug2 h PHE 77 CO 0.18 0.23 -0.10 0.07 -2.23 0.00 0.00 178.31 176.46 1ug2 h ARG 78 N 0.19 0.00 0.20 1.11 -0.00 -0.04 -2.43 114.38 113.41 1ug2 h ARG 78 Ca 0.06 0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.73 1ug2 h ARG 78 Cb 0.06 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.05 1ug2 h ARG 78 CO -0.01 0.10 -1.51 0.93 -0.00 0.00 0.00 179.97 179.48 1ug2 h GLU 79 N 0.00 0.42 0.00 0.08 4.39 -0.99 -3.26 114.58 115.21 1ug2 h GLU 79 Ca -0.00 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1ug2 h GLU 79 Cb 0.27 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1ug2 h GLU 79 CO 0.01 1.34 0.00 1.28 -1.16 0.00 0.00 179.01 180.48 1ug2 n LEU 80 N -3.74 0.00 -0.34 1.33 4.77 0.20 0.19 117.00 119.40 1ug2 n LEU 80 Ca -0.21 0.98 0.18 0.00 -0.03 0.00 0.00 56.01 56.93 1ug2 n LEU 80 Cb 1.03 -0.48 0.40 0.00 -2.33 0.00 0.00 43.42 42.04 1ug2 n LEU 80 CO 0.53 -0.48 1.18 0.24 -1.33 0.00 0.00 177.39 177.52 1ug2 h MET 81 N 0.00 0.55 -0.63 3.23 2.86 -1.73 0.39 114.93 119.61 1ug2 h MET 81 Ca 0.00 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1ug2 h MET 81 Cb 0.00 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 1ug2 h MET 81 CO 0.00 0.36 0.23 1.96 1.06 0.00 0.00 176.91 180.52 1ug2 h GLN 82 N 0.57 0.95 0.72 1.72 1.08 -0.25 -0.44 115.11 119.46 1ug2 h GLN 82 Ca 0.63 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 57.60 1ug2 h GLN 82 Cb 1.24 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 28.53 1ug2 h GLN 82 CO -0.43 0.82 -0.35 -0.07 -0.95 0.00 0.00 178.83 177.86 1ug2 h LEU 83 N 0.88 -0.82 -0.66 1.46 3.38 0.61 -2.59 115.31 117.57 1ug2 h LEU 83 Ca 0.21 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.33 1ug2 h LEU 83 Cb 0.24 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.08 1ug2 h LEU 83 CO -0.01 -0.47 -0.23 -0.26 0.09 0.00 0.00 178.44 177.55 1ug2 h PHE 84 N -1.19 -0.57 -0.15 1.13 0.04 -0.86 0.59 116.94 115.93 1ug2 h PHE 84 Ca -0.10 0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.76 1ug2 h PHE 84 Cb 0.74 0.35 -0.03 0.00 2.20 0.00 0.00 35.95 39.21 1ug2 h PHE 84 CO 0.01 -0.33 -0.25 0.45 -0.60 0.00 0.00 178.31 177.60 1ug2 h HIS 85 N -0.06 -0.75 0.39 -0.55 3.86 -1.06 -2.66 115.15 114.32 1ug2 h HIS 85 Ca 0.30 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1ug2 h HIS 85 Cb 0.53 0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.31 1ug2 h HIS 85 CO -0.59 -0.22 -0.47 1.15 0.86 0.00 0.00 177.93 178.66 1ug2 h THR 86 N -0.20 0.08 0.00 2.45 2.02 -0.91 -3.44 112.91 112.91 1ug2 h THR 86 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1ug2 h THR 86 Cb 0.27 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1ug2 h THR 86 CO -0.24 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.65 1ug2 n ALA 87 N -2.80 0.00 -2.91 6.16 0.00 0.20 -4.72 120.51 116.45 1ug2 n ALA 87 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1ug2 n ALA 87 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1ug2 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug2 n GLU 89 N -1.46 -2.32 -2.46 0.00 2.13 -1.26 -4.87 120.64 110.41 1ug2 n GLU 89 Ca 0.02 1.99 -0.43 0.00 0.66 0.00 0.00 57.16 59.40 1ug2 n GLU 89 Cb 0.49 -4.67 -0.02 0.00 0.27 0.00 0.00 31.44 27.50 1ug2 n GLU 89 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ug2 s SER 90 N -2.21 6.77 0.00 4.31 0.15 -1.26 -4.39 113.70 117.08 1ug2 s SER 90 Ca 0.25 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1ug2 s SER 90 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1ug2 s SER 90 CO 0.77 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1ug2 n GLY 91 N 4.08 0.61 0.11 9.45 0.00 -1.26 -5.05 105.19 113.13 1ug2 n GLY 91 Ca 0.14 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.24 0.00 1.61 0.13 -1.96 -3.49 132.00 128.52 1ug2 h PRO 92 Ca 0.00 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1ug2 h PRO 92 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1ug2 h PRO 92 CO 0.00 0.93 0.00 0.45 -0.23 0.00 0.00 178.00 179.15 1ug2 n SER 93 N -4.46 0.00 -0.09 1.44 2.88 -1.26 -5.08 113.62 107.04 1ug2 n SER 93 Ca -0.09 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.35 1ug2 n SER 93 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1ug2 n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ug2 n SER 94 N 0.00 1.93 0.00 -3.46 2.88 -1.26 -5.21 113.62 108.50 1ug2 n SER 94 Ca 0.00 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1ug2 n SER 94 Cb 0.00 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1ug2 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42