#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 -2.14 -3.76 1.61 -0.04 -1.26 -5.10 135.00 124.32 1ug2 n PRO 2 Ca 0.00 -1.83 -0.05 0.00 -0.04 0.00 0.00 63.50 61.58 1ug2 n PRO 2 Cb 0.00 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.00 1ug2 n PRO 2 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ug2 s SER 3 N -5.03 -0.22 0.30 3.54 1.04 -1.26 -5.19 113.70 106.88 1ug2 s SER 3 Ca 0.70 -0.42 -0.18 0.00 0.48 0.00 0.00 55.95 56.53 1ug2 s SER 3 Cb -0.04 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.69 1ug2 s SER 3 CO 0.52 -1.01 0.92 -0.83 0.98 0.00 0.00 173.24 173.82 1ug2 s GLY 4 N -2.90 0.29 0.00 7.32 0.00 -1.26 -5.19 107.32 105.58 1ug2 s GLY 4 Ca 0.11 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1ug2 s GLY 4 CO 0.02 1.15 0.00 -1.26 0.00 0.00 0.00 173.10 173.01 1ug2 n SER 5 N -1.42 0.00 -3.63 1.64 2.88 -1.26 -5.19 113.62 106.65 1ug2 n SER 5 Ca -0.06 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.50 1ug2 n SER 5 Cb 0.60 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1ug2 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ug2 s SER 6 N 0.00 -0.05 0.00 -3.46 1.04 -1.26 -5.19 113.70 104.78 1ug2 s SER 6 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1ug2 s SER 6 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1ug2 s SER 6 CO 0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1ug2 n GLY 7 N -0.52 2.23 3.83 7.32 0.00 -1.26 -5.19 105.19 111.60 1ug2 n GLY 7 Ca -0.08 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.83 -2.17 0.00 4.61 0.00 -1.26 -5.19 121.76 115.92 1ug2 s ALA 8 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1ug2 s ALA 8 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1ug2 s ALA 8 CO 0.00 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1ug2 n GLY 9 N -0.70 1.79 2.75 0.00 0.00 -1.26 -5.11 105.19 102.66 1ug2 n GLY 9 Ca -0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.40 -2.05 -3.50 4.61 0.00 -1.26 -5.15 120.51 112.76 1ug2 n ALA 10 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 53.44 52.39 1ug2 n ALA 10 Cb 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 1ug2 n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ug2 s LEU 11 N 0.80 -0.50 0.17 0.00 1.02 -1.26 -4.03 118.68 114.88 1ug2 s LEU 11 Ca 0.29 -0.10 -0.30 0.00 0.02 0.00 0.00 54.13 54.05 1ug2 s LEU 11 Cb 0.02 2.56 -0.07 0.00 0.02 0.00 0.00 46.19 48.72 1ug2 s LEU 11 CO -0.06 -0.99 1.12 -2.16 0.02 0.00 0.00 176.35 174.28 1ug2 s PRO 12 N -3.71 4.56 -0.36 1.29 0.04 -1.26 -5.13 135.00 130.43 1ug2 s PRO 12 Ca 0.03 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.84 1ug2 s PRO 12 Cb -0.02 -3.28 0.29 0.00 0.04 0.00 0.00 34.50 31.54 1ug2 s PRO 12 CO -0.09 0.02 1.24 1.63 0.04 0.00 0.00 177.00 179.84 1ug2 n LYS 13 N 2.54 0.31 -3.51 4.56 4.76 -1.26 -5.13 118.16 120.43 1ug2 n LYS 13 Ca 0.04 -0.96 0.02 0.00 -2.87 0.00 0.00 58.31 54.53 1ug2 n LYS 13 Cb 0.46 -0.44 -0.05 0.00 -1.84 0.00 0.00 35.03 33.15 1ug2 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ug2 s ALA 14 N 0.17 -2.73 -0.37 7.82 0.00 -1.26 -5.08 121.76 120.31 1ug2 s ALA 14 Ca 0.24 1.99 0.02 0.00 0.00 0.00 0.00 51.96 54.21 1ug2 s ALA 14 Cb 0.25 -2.01 0.15 0.00 0.00 0.00 0.00 23.12 21.51 1ug2 s ALA 14 CO -0.14 -0.56 0.28 0.45 0.00 0.00 0.00 175.76 175.79 1ug2 s SER 15 N 1.53 2.20 0.13 0.00 0.15 -1.26 -4.91 113.70 111.54 1ug2 s SER 15 Ca -0.06 -2.16 0.00 0.00 0.70 0.00 0.00 55.95 54.43 1ug2 s SER 15 Cb -0.03 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1ug2 s SER 15 CO -0.13 -0.27 0.00 -0.62 1.20 0.00 0.00 173.24 173.42 1ug2 n GLU 16 N 3.89 0.00 -3.05 5.44 -0.58 -1.26 -5.06 120.64 120.02 1ug2 n GLU 16 Ca 0.15 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.76 1ug2 n GLU 16 Cb 0.41 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.34 1ug2 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ug2 n ALA 17 N -3.11 -2.28 -3.38 0.62 0.00 -1.26 -5.03 120.51 106.06 1ug2 n ALA 17 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.37 1ug2 n ALA 17 Cb 0.00 -5.02 -0.16 0.00 0.00 0.00 0.00 19.45 14.27 1ug2 n ALA 17 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ug2 s THR 18 N -3.33 0.54 -0.47 0.00 -4.23 -1.26 -5.11 115.64 101.78 1ug2 s THR 18 Ca 0.39 -0.17 -0.25 0.00 -1.18 0.00 0.00 61.69 60.47 1ug2 s THR 18 Cb -0.05 -0.53 0.03 0.00 1.34 0.00 0.00 72.50 73.28 1ug2 s THR 18 CO 0.66 0.21 0.90 -0.69 -0.54 0.00 0.00 174.62 175.16 1ug2 s VAL 19 N 0.60 4.49 -0.51 2.29 1.01 -1.26 -4.99 120.40 122.02 1ug2 s VAL 19 Ca -0.08 0.62 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 1ug2 s VAL 19 Cb -0.11 -4.43 0.06 0.00 0.00 0.00 0.00 36.38 31.90 1ug2 s VAL 19 CO 0.00 -0.86 0.61 0.00 0.00 0.00 0.00 175.10 174.85 1ug2 n ALA 21 N 6.10 4.18 -2.27 0.00 0.00 -1.26 -5.00 120.51 122.26 1ug2 n ALA 21 Ca -0.07 -4.35 -0.31 0.00 0.00 0.00 0.00 53.44 48.71 1ug2 n ALA 21 Cb 0.45 -2.91 -0.04 0.00 0.00 0.00 0.00 19.45 16.95 1ug2 n ALA 21 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ug2 s ASN 22 N 2.13 6.58 -0.70 0.00 -0.87 -1.26 -5.01 114.94 115.81 1ug2 s ASN 22 Ca 0.40 1.05 -0.24 0.00 -1.57 0.00 0.00 52.86 52.50 1ug2 s ASN 22 Cb -0.02 -2.29 0.06 0.00 -0.02 0.00 0.00 41.25 38.98 1ug2 s ASN 22 CO -0.01 -0.27 1.09 0.20 -2.57 0.00 0.00 177.10 175.54 1ug2 s ASN 23 N -2.85 6.17 0.46 -1.22 0.01 -1.26 -4.87 114.94 111.39 1ug2 s ASN 23 Ca 0.50 -0.80 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 1ug2 s ASN 23 Cb -0.10 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.08 1ug2 s ASN 23 CO 0.27 -1.59 0.00 -1.20 -1.51 0.00 0.00 177.10 173.06 1ug2 n SER 24 N 8.34 -7.18 -2.67 -1.22 7.64 -1.26 -4.96 113.62 112.31 1ug2 n SER 24 Ca -0.01 1.01 -0.04 0.00 1.01 0.00 0.00 58.87 60.85 1ug2 n SER 24 Cb 0.47 -4.34 0.06 0.00 -1.01 0.00 0.00 64.21 59.39 1ug2 n SER 24 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ug2 n LYS 25 N -4.04 0.32 -4.67 1.43 2.85 -1.26 -5.15 118.16 107.64 1ug2 n LYS 25 Ca -0.05 -0.90 -0.31 0.00 -1.05 0.00 0.00 58.31 56.00 1ug2 n LYS 25 Cb 0.64 -0.16 -0.12 0.00 -0.65 0.00 0.00 35.03 34.73 1ug2 n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1ug2 s VAL 26 N 0.07 2.91 0.14 0.58 1.01 -1.26 -5.13 120.40 118.72 1ug2 s VAL 26 Ca 0.14 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.10 1ug2 s VAL 26 Cb 0.21 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1ug2 s VAL 26 CO -0.10 0.37 -0.16 -0.94 0.00 0.00 0.00 175.10 174.27 1ug2 s SER 27 N -1.35 2.35 0.00 3.32 1.04 -1.26 -4.97 113.70 112.83 1ug2 s SER 27 Ca 0.15 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1ug2 s SER 27 Cb -0.11 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1ug2 s SER 27 CO 0.05 -0.08 0.00 -0.24 0.98 0.00 0.00 173.24 173.95 1ug2 n SER 28 N 0.46 0.00 -1.48 7.02 2.88 -1.26 -5.16 113.62 116.08 1ug2 n SER 28 Ca -0.15 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.46 1ug2 n SER 28 Cb 0.57 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 1ug2 n SER 28 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ug2 n THR 29 N -0.21 -2.13 0.00 2.46 -1.04 -1.26 -5.02 114.28 107.08 1ug2 n THR 29 Ca 0.00 1.24 0.00 0.00 -2.04 0.00 0.00 64.05 63.25 1ug2 n THR 29 Cb 0.00 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 66.50 1ug2 n THR 29 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ug2 n GLY 30 N -3.21 3.72 3.62 3.41 0.00 -1.26 -5.02 105.19 106.45 1ug2 n GLY 30 Ca -0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 4.29 1.52 -0.52 1.61 0.41 -1.26 -5.03 118.70 119.72 1ug2 s GLU 31 Ca 0.00 -1.03 -0.34 0.00 -0.41 0.00 0.00 54.97 53.19 1ug2 s GLU 31 Cb 0.00 0.52 -0.14 0.00 -1.78 0.00 0.00 34.13 32.73 1ug2 s GLU 31 CO 0.00 -0.65 2.32 1.63 -0.49 0.00 0.00 175.26 178.07 1ug2 n LYS 32 N -0.38 0.73 -3.67 1.61 5.02 -1.26 -4.87 118.16 115.34 1ug2 n LYS 32 Ca -0.06 0.15 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 1ug2 n LYS 32 Cb 0.61 -2.32 -0.11 0.00 -0.02 0.00 0.00 35.03 33.19 1ug2 n LYS 32 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ug2 s VAL 33 N 8.31 4.06 -0.36 -0.18 0.11 -1.26 -4.92 120.40 126.16 1ug2 s VAL 33 Ca 1.14 -1.25 0.14 0.00 -2.93 0.00 0.00 61.98 59.08 1ug2 s VAL 33 Cb -0.90 -3.39 0.41 0.00 -1.53 0.00 0.00 36.38 30.96 1ug2 s VAL 33 CO 0.47 -0.35 0.97 0.55 -3.33 0.00 0.00 175.10 173.42 1ug2 n VAL 34 N 4.87 0.43 0.04 2.04 3.14 -1.26 -4.90 118.33 122.70 1ug2 n VAL 34 Ca -0.11 -3.07 0.00 0.00 -2.96 0.00 0.00 64.34 58.20 1ug2 n VAL 34 Cb 0.44 0.55 0.00 0.00 -1.06 0.00 0.00 33.84 33.77 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 -0.02 -0.73 -4.73 6.55 0.00 -1.26 -5.11 117.00 111.69 1ug2 n LEU 35 Ca 0.11 0.27 -0.38 0.00 0.00 0.00 0.00 56.01 56.01 1ug2 n LEU 35 Cb 0.77 0.91 -0.06 0.00 0.00 0.00 0.00 43.42 45.05 1ug2 n LEU 35 CO 0.18 -0.07 0.21 0.26 0.00 0.00 0.00 177.39 177.97 1ug2 s TRP 36 N -2.00 3.56 0.04 1.96 0.52 -1.26 -5.07 118.94 116.69 1ug2 s TRP 36 Ca 0.00 0.98 -0.00 0.00 0.02 0.00 0.00 56.10 57.10 1ug2 s TRP 36 Cb 0.00 -2.57 -0.04 0.00 -1.15 0.00 0.00 33.47 29.71 1ug2 s TRP 36 CO 0.00 0.21 0.18 -0.08 0.02 0.00 0.00 176.95 177.28 1ug2 s THR 37 N 0.43 5.25 0.10 2.01 -1.32 -1.26 -4.98 115.64 115.88 1ug2 s THR 37 Ca 0.28 -0.38 -0.20 0.00 -1.21 0.00 0.00 61.69 60.17 1ug2 s THR 37 Cb -0.16 -3.53 -0.05 0.00 -1.51 0.00 0.00 72.50 67.26 1ug2 s THR 37 CO 0.12 0.19 1.35 -0.09 -2.21 0.00 0.00 174.62 173.99 1ug2 h ARG 38 N 3.34 -0.03 -0.88 7.08 9.65 -1.98 0.74 114.38 132.30 1ug2 h ARG 38 Ca -0.46 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.51 1ug2 h ARG 38 Cb 1.17 0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.64 1ug2 h ARG 38 CO 0.72 -0.02 -0.48 0.39 2.80 0.00 0.00 179.97 183.38 1ug2 n GLU 39 N -4.47 -0.35 -0.26 0.20 -0.58 -1.26 0.19 120.64 114.12 1ug2 n GLU 39 Ca 0.01 1.34 0.06 0.00 -0.42 0.00 0.00 57.16 58.15 1ug2 n GLU 39 Cb 0.18 -1.97 0.20 0.00 -0.57 0.00 0.00 31.44 29.27 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ug2 h ALA 40 N 0.61 1.04 -0.42 0.62 0.00 -1.33 1.36 119.26 121.13 1ug2 h ALA 40 Ca 0.18 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1ug2 h ALA 40 Cb 0.40 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ug2 h ALA 40 CO -0.84 -0.31 -0.13 -0.44 0.00 0.00 0.00 179.25 177.53 1ug2 h ASP 41 N 0.32 0.77 0.57 0.00 5.19 0.38 -2.46 116.42 121.19 1ug2 h ASP 41 Ca 0.43 -0.24 -0.03 0.00 -0.62 0.00 0.00 57.03 56.58 1ug2 h ASP 41 Cb 0.74 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1ug2 h ASP 41 CO -0.49 0.91 -0.27 0.03 -3.12 0.00 0.00 179.24 176.30 1ug2 h ARG 42 N 0.70 -0.74 -1.00 3.56 2.47 0.69 -2.81 114.38 117.26 1ug2 h ARG 42 Ca 0.12 0.05 0.35 0.00 -1.26 0.00 0.00 59.98 59.23 1ug2 h ARG 42 Cb 0.61 0.17 -0.16 0.00 -1.65 0.00 0.00 29.97 28.94 1ug2 h ARG 42 CO 0.04 -0.45 0.53 0.28 0.56 0.00 0.00 179.97 180.93 1ug2 h VAL 43 N -1.14 0.21 0.50 2.04 2.07 0.15 0.79 116.25 120.87 1ug2 h VAL 43 Ca -0.08 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1ug2 h VAL 43 Cb 0.63 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1ug2 h VAL 43 CO 0.13 0.04 -0.43 0.40 0.02 0.00 0.00 177.57 177.73 1ug2 h ILE 44 N 0.22 0.14 0.59 4.57 2.04 -1.33 1.12 117.51 124.85 1ug2 h ILE 44 Ca 0.76 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.59 1ug2 h ILE 44 Cb 1.81 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1ug2 h ILE 44 CO -0.66 0.00 -0.28 -0.07 0.00 0.00 0.00 178.15 177.13 1ug2 h LEU 45 N -0.93 -0.67 -0.29 1.44 3.38 0.09 1.47 115.31 119.80 1ug2 h LEU 45 Ca -0.05 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1ug2 h LEU 45 Cb 0.80 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 1ug2 h LEU 45 CO -0.02 -0.47 -0.45 0.74 0.09 0.00 0.00 178.44 178.33 1ug2 h THR 46 N -0.81 0.10 -0.29 0.22 2.02 0.43 1.15 112.91 115.73 1ug2 h THR 46 Ca -0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1ug2 h THR 46 Cb 0.62 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1ug2 h THR 46 CO 0.13 0.00 0.12 0.24 0.37 0.00 0.00 175.52 176.38 1ug2 h MET 47 N -0.42 0.43 0.00 6.66 2.86 0.14 0.50 114.93 125.10 1ug2 h MET 47 Ca 0.10 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ug2 h MET 47 Cb 0.61 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1ug2 h MET 47 CO -0.50 0.45 0.00 0.00 1.06 0.00 0.00 176.91 177.92 1ug2 n GLN 49 N -2.64 0.24 0.39 0.00 7.27 0.39 -0.01 117.38 123.03 1ug2 n GLN 49 Ca -0.02 0.39 -0.19 0.00 0.07 0.00 0.00 57.00 57.25 1ug2 n GLN 49 Cb 0.08 -1.24 -0.10 0.00 2.41 0.00 0.00 30.24 31.39 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 -0.54 -1.11 -0.06 3.69 4.81 0.06 -2.99 114.58 118.44 1ug2 h GLU 50 Ca 0.00 0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 1ug2 h GLU 50 Cb 0.28 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1ug2 h GLU 50 CO 0.00 -0.74 -0.72 1.96 -0.73 0.00 0.00 179.01 178.78 1ug2 h GLN 51 N -1.15 0.30 0.00 1.92 4.20 -0.49 -3.50 115.11 116.40 1ug2 h GLN 51 Ca -0.09 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1ug2 h GLN 51 Cb 0.94 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1ug2 h GLN 51 CO 0.06 0.90 0.00 0.41 -0.67 0.00 0.00 178.83 179.52 1ug2 n GLY 52 N 0.53 2.74 3.17 3.46 0.00 -0.47 -4.84 105.19 109.77 1ug2 n GLY 52 Ca -0.03 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 0.45 4.54 -2.44 4.61 0.00 0.99 -4.11 120.51 124.55 1ug2 n ALA 53 Ca 0.00 -4.00 -0.24 0.00 0.00 0.00 0.00 53.44 49.20 1ug2 n ALA 53 Cb 0.00 -3.39 -0.11 0.00 0.00 0.00 0.00 19.45 15.95 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 2.81 1.53 0.00 0.00 -2.07 -1.26 -5.01 119.66 115.65 1ug2 s GLN 54 Ca 0.47 -1.62 0.22 0.00 -1.82 0.00 0.00 55.36 52.62 1ug2 s GLN 54 Cb 0.07 -1.65 1.03 0.00 -1.09 0.00 0.00 33.01 31.36 1ug2 s GLN 54 CO 0.00 0.33 1.72 -0.35 -1.32 0.00 0.00 175.29 175.66 1ug2 n PRO 55 N -0.17 0.14 0.10 9.60 -0.04 -1.26 -2.28 135.00 141.09 1ug2 n PRO 55 Ca -0.09 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 1ug2 n PRO 55 Cb 0.58 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1ug2 n PRO 55 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1ug2 h HIS 56 N 0.00 0.00 0.25 0.54 2.76 -1.95 -3.34 115.15 113.41 1ug2 h HIS 56 Ca 0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.84 1ug2 h HIS 56 Cb 0.30 0.00 0.04 0.00 1.55 0.00 0.00 27.41 29.30 1ug2 h HIS 56 CO 0.00 0.24 -1.46 1.15 -1.30 0.00 0.00 177.93 176.57 1ug2 h THR 57 N 0.00 1.29 -0.91 6.26 2.02 -1.77 -3.25 112.91 116.54 1ug2 h THR 57 Ca -0.05 -2.68 0.26 0.00 0.77 0.00 0.00 66.41 64.71 1ug2 h THR 57 Cb 1.23 3.03 -0.04 0.00 -1.74 0.00 0.00 68.15 70.63 1ug2 h THR 57 CO 0.02 0.80 0.67 -0.26 0.37 0.00 0.00 175.52 177.13 1ug2 h PHE 58 N 0.15 0.00 0.00 3.16 0.04 -1.66 1.48 116.94 120.10 1ug2 h PHE 58 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1ug2 h PHE 58 Cb 2.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.30 1ug2 h PHE 58 CO 0.13 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.87 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.87 -1.71 0.29 113.55 115.17 1ug2 h SER 59 Ca 0.43 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.86 1ug2 h SER 59 Cb 1.77 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.71 1ug2 h SER 59 CO -0.00 0.00 -1.00 0.52 -0.53 0.00 0.00 176.83 175.82 1ug2 n VAL 60 N -2.91 1.48 -0.15 2.23 0.31 0.50 -4.02 118.33 115.76 1ug2 n VAL 60 Ca -0.00 0.07 -0.04 0.00 -0.01 0.00 0.00 64.34 64.35 1ug2 n VAL 60 Cb 0.23 -2.21 0.05 0.00 -0.91 0.00 0.00 33.84 30.99 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 -1.00 0.92 -1.18 2.52 2.04 -1.29 0.21 117.51 119.73 1ug2 h ILE 61 Ca -0.20 -0.15 0.35 0.00 1.00 0.00 0.00 64.86 65.87 1ug2 h ILE 61 Cb 0.95 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 37.38 1ug2 h ILE 61 CO -0.12 0.08 0.76 -1.28 0.00 0.00 0.00 178.15 177.59 1ug2 h SER 62 N 0.43 0.33 0.16 1.72 0.87 -0.62 0.64 113.55 117.08 1ug2 h SER 62 Ca 0.21 0.10 -0.32 0.00 -1.23 0.00 0.00 61.79 60.56 1ug2 h SER 62 Cb 0.16 0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1ug2 h SER 62 CO -0.17 -0.04 -1.57 1.56 -0.53 0.00 0.00 176.83 176.07 1ug2 h GLN 63 N 0.23 0.35 -0.66 2.24 4.20 -1.18 -2.77 115.11 117.51 1ug2 h GLN 63 Ca 0.70 -0.59 0.09 0.00 0.06 0.00 0.00 58.65 58.91 1ug2 h GLN 63 Cb 2.04 0.22 -0.04 0.00 0.30 0.00 0.00 27.48 30.00 1ug2 h GLN 63 CO -0.34 1.28 0.44 1.96 -0.67 0.00 0.00 178.83 181.50 1ug2 h GLN 64 N -0.06 0.51 -0.02 1.46 1.08 0.27 -1.34 115.11 117.01 1ug2 h GLN 64 Ca -0.32 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 56.86 1ug2 h GLN 64 Cb 1.96 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 29.26 1ug2 h GLN 64 CO 0.14 0.34 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.24 1ug2 h LEU 65 N 0.53 -0.14 0.00 1.46 3.38 -0.06 -3.48 115.31 117.00 1ug2 h LEU 65 Ca 0.30 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1ug2 h LEU 65 Cb 0.49 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ug2 h LEU 65 CO -0.10 -0.07 0.00 0.61 0.09 0.00 0.00 178.44 178.97 1ug2 n GLY 66 N -1.16 3.08 0.29 0.83 0.00 -0.51 -4.82 105.19 102.91 1ug2 n GLY 66 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.83 1.61 5.15 -1.26 -4.93 115.26 111.01 1ug2 n ASN 67 Ca 0.00 -1.58 -0.31 0.00 -0.60 0.00 0.00 54.58 52.09 1ug2 n ASN 67 Cb 0.00 -0.12 0.04 0.00 -0.53 0.00 0.00 39.78 39.17 1ug2 n ASN 67 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1ug2 s LYS 68 N 0.00 3.14 0.30 1.20 2.47 -1.05 -5.06 119.74 120.74 1ug2 s LYS 68 Ca 0.00 0.95 0.07 0.00 -1.56 0.00 0.00 55.97 55.43 1ug2 s LYS 68 Cb 0.00 -2.02 -0.03 0.00 -1.46 0.00 0.00 37.83 34.32 1ug2 s LYS 68 CO 0.00 -0.94 0.24 0.95 0.16 0.00 0.00 175.35 175.76 1ug2 s THR 69 N -2.98 3.83 -0.50 3.43 -4.23 -1.26 -4.29 115.64 109.63 1ug2 s THR 69 Ca 0.58 -1.41 0.26 0.00 -1.18 0.00 0.00 61.69 59.93 1ug2 s THR 69 Cb -0.14 -3.24 0.29 0.00 1.34 0.00 0.00 72.50 70.76 1ug2 s THR 69 CO 0.52 -0.24 1.76 1.55 -0.54 0.00 0.00 174.62 177.67 1ug2 h PRO 70 N 1.37 0.00 0.01 3.99 0.13 -1.90 -2.45 132.00 133.16 1ug2 h PRO 70 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1ug2 h PRO 70 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1ug2 h PRO 70 CO 0.59 0.00 -0.55 -0.24 -0.23 0.00 0.00 178.00 177.57 1ug2 h VAL 71 N 0.00 1.44 0.34 1.56 3.04 -1.95 -3.27 116.25 117.42 1ug2 h VAL 71 Ca 0.00 -2.30 -0.01 0.00 -1.01 0.00 0.00 66.70 63.38 1ug2 h VAL 71 Cb 0.60 2.95 -0.01 0.00 -2.01 0.00 0.00 31.29 32.82 1ug2 h VAL 71 CO 0.00 0.52 -0.23 -0.33 -1.01 0.00 0.00 177.57 176.52 1ug2 h GLU 72 N -0.92 -0.55 -0.89 4.17 4.39 -1.97 -1.26 114.58 117.55 1ug2 h GLU 72 Ca -0.14 0.04 0.18 0.00 0.34 0.00 0.00 59.36 59.77 1ug2 h GLU 72 Cb 1.18 0.12 -0.17 0.00 -0.10 0.00 0.00 28.75 29.79 1ug2 h GLU 72 CO -0.06 -0.36 -0.23 0.28 -1.16 0.00 0.00 179.01 177.48 1ug2 h VAL 73 N -0.57 0.11 -0.68 3.13 2.07 -1.61 1.24 116.25 119.94 1ug2 h VAL 73 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1ug2 h VAL 73 Cb 0.48 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1ug2 h VAL 73 CO 0.02 0.00 0.44 -1.28 0.02 0.00 0.00 177.57 176.76 1ug2 h SER 74 N -0.00 0.73 -0.03 0.57 0.87 -1.50 0.56 113.55 114.75 1ug2 h SER 74 Ca 0.42 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.94 1ug2 h SER 74 Cb 0.64 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1ug2 h SER 74 CO -0.91 0.52 -0.05 0.45 -0.53 0.00 0.00 176.83 176.30 1ug2 h HIS 75 N 0.87 0.23 0.09 2.24 -0.00 0.24 0.50 115.15 119.31 1ug2 h HIS 75 Ca 0.26 -0.02 -0.29 0.00 -0.00 0.00 0.00 60.37 60.33 1ug2 h HIS 75 Cb -0.03 -0.07 0.03 0.00 -0.00 0.00 0.00 27.41 27.34 1ug2 h HIS 75 CO -0.04 0.29 -1.19 -0.09 -0.00 0.00 0.00 177.93 176.90 1ug2 h ARG 76 N 0.22 0.64 -0.07 2.45 9.65 0.18 -2.26 114.38 125.20 1ug2 h ARG 76 Ca 0.05 -0.82 -0.00 0.00 -1.10 0.00 0.00 59.98 58.11 1ug2 h ARG 76 Cb 0.25 0.26 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1ug2 h ARG 76 CO 0.01 1.37 0.03 0.35 2.80 0.00 0.00 179.97 184.52 1ug2 h PHE 77 N 0.29 0.10 0.00 2.20 3.57 0.61 0.42 116.94 124.13 1ug2 h PHE 77 Ca -0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 1ug2 h PHE 77 Cb 1.86 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.57 1ug2 h PHE 77 CO 0.11 0.23 -0.16 0.07 -2.23 0.00 0.00 178.31 176.33 1ug2 h ARG 78 N -0.06 0.00 0.22 1.11 -0.00 -1.02 -2.71 114.38 111.93 1ug2 h ARG 78 Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 59.98 59.69 1ug2 h ARG 78 Cb 0.17 0.00 0.04 0.00 -0.00 0.00 0.00 29.97 30.18 1ug2 h ARG 78 CO -0.00 0.16 -1.36 0.93 -0.00 0.00 0.00 179.97 179.70 1ug2 h GLU 79 N 0.00 0.53 0.00 0.08 4.39 -0.89 -3.14 114.58 115.54 1ug2 h GLU 79 Ca -0.00 -0.87 0.00 0.00 0.34 0.00 0.00 59.36 58.83 1ug2 h GLU 79 Cb 0.49 0.32 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1ug2 h GLU 79 CO 0.02 1.41 0.00 1.28 -1.16 0.00 0.00 179.01 180.56 1ug2 n LEU 80 N -3.78 0.00 -0.34 1.33 4.77 0.14 0.18 117.00 119.30 1ug2 n LEU 80 Ca -0.16 0.99 0.15 0.00 -0.03 0.00 0.00 56.01 56.95 1ug2 n LEU 80 Cb 1.05 -0.49 0.34 0.00 -2.33 0.00 0.00 43.42 42.00 1ug2 n LEU 80 CO 0.59 -0.49 1.16 0.24 -1.33 0.00 0.00 177.39 177.57 1ug2 h MET 81 N 0.00 0.64 -0.24 3.23 2.86 -1.72 0.90 114.93 120.60 1ug2 h MET 81 Ca 0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ug2 h MET 81 Cb 0.00 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1ug2 h MET 81 CO 0.00 0.42 0.15 1.96 1.06 0.00 0.00 176.91 180.50 1ug2 h GLN 82 N 0.65 0.33 -0.38 1.72 1.08 -0.79 0.79 115.11 118.51 1ug2 h GLN 82 Ca 0.60 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.63 1ug2 h GLN 82 Cb 1.03 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.38 1ug2 h GLN 82 CO -0.43 0.26 -0.33 1.37 -0.95 0.00 0.00 178.83 178.75 1ug2 h LEU 83 N 0.30 0.88 -0.22 1.46 8.10 0.44 0.12 115.31 126.39 1ug2 h LEU 83 Ca 0.09 -0.37 -0.02 0.00 0.11 0.00 0.00 57.88 57.68 1ug2 h LEU 83 Cb 0.02 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 39.98 1ug2 h LEU 83 CO -0.02 1.13 0.06 -0.26 -4.11 0.00 0.00 178.44 175.24 1ug2 h PHE 84 N 0.71 0.36 0.36 0.17 0.04 0.11 -3.31 116.94 115.38 1ug2 h PHE 84 Ca 0.07 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1ug2 h PHE 84 Cb 0.88 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1ug2 h PHE 84 CO 0.05 0.45 -0.17 0.45 -0.60 0.00 0.00 178.31 178.49 1ug2 h HIS 85 N 0.17 -0.45 -3.45 -0.55 3.86 0.66 -3.42 115.15 111.97 1ug2 h HIS 85 Ca 0.07 -0.01 -0.60 0.00 -1.16 0.00 0.00 60.37 58.67 1ug2 h HIS 85 Cb 0.27 0.15 -0.11 0.00 1.06 0.00 0.00 27.41 28.78 1ug2 h HIS 85 CO 0.01 -0.28 0.13 0.99 0.86 0.00 0.00 177.93 179.64 1ug2 s THR 86 N -3.41 5.01 -0.26 2.45 2.01 0.41 -5.02 115.64 116.83 1ug2 s THR 86 Ca -0.07 1.14 -0.05 0.00 0.31 0.00 0.00 61.69 63.02 1ug2 s THR 86 Cb 0.01 -3.93 0.13 0.00 0.01 0.00 0.00 72.50 68.72 1ug2 s THR 86 CO 0.21 0.07 0.51 0.00 -0.69 0.00 0.00 174.62 174.72 1ug2 s ALA 87 N 2.19 -1.61 -0.44 7.40 0.00 -1.26 -4.23 121.76 123.82 1ug2 s ALA 87 Ca 0.27 1.64 -0.42 0.00 0.00 0.00 0.00 51.96 53.45 1ug2 s ALA 87 Cb -0.16 -1.71 -0.17 0.00 0.00 0.00 0.00 23.12 21.08 1ug2 s ALA 87 CO 0.09 -1.05 2.04 0.00 0.00 0.00 0.00 175.76 176.84 1ug2 s GLU 89 N 5.42 2.84 0.27 0.00 2.12 -1.26 -4.76 118.70 123.33 1ug2 s GLU 89 Ca 1.13 -1.39 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1ug2 s GLU 89 Cb -1.28 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 29.11 1ug2 s GLU 89 CO 0.64 -1.00 0.00 0.45 -0.54 0.00 0.00 175.26 174.81 1ug2 n SER 90 N 5.09 -1.09 -3.85 -1.70 2.88 -1.26 -5.16 113.62 108.53 1ug2 n SER 90 Ca -0.12 0.49 -0.09 0.00 -1.33 0.00 0.00 58.87 57.82 1ug2 n SER 90 Cb 0.43 1.18 -0.07 0.00 -0.75 0.00 0.00 64.21 65.00 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 -3.91 0.07 0.61 0.46 0.00 -1.26 -5.16 107.32 98.13 1ug2 s GLY 91 Ca 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 44.72 44.04 1ug2 s GLY 91 CO 0.00 -0.72 1.05 2.56 0.00 0.00 0.00 173.10 175.99 1ug2 s PRO 92 N -3.57 3.30 -0.20 2.90 0.04 -1.26 -5.06 135.00 131.15 1ug2 s PRO 92 Ca 0.03 1.12 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 1ug2 s PRO 92 Cb 0.04 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.60 1ug2 s PRO 92 CO -0.09 -0.82 0.03 0.45 0.04 0.00 0.00 177.00 176.61 1ug2 s SER 93 N -3.05 3.04 0.11 6.66 0.15 -1.26 -5.13 113.70 114.23 1ug2 s SER 93 Ca 0.62 -0.88 0.10 0.00 0.70 0.00 0.00 55.95 56.49 1ug2 s SER 93 Cb -0.15 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.47 1ug2 s SER 93 CO 0.40 -0.30 -0.26 -0.44 1.20 0.00 0.00 173.24 173.84 1ug2 s SER 94 N 1.81 3.13 0.00 5.45 0.01 -1.26 -4.99 113.70 117.85 1ug2 s SER 94 Ca -0.01 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.53 1ug2 s SER 94 Cb -0.17 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1ug2 s SER 94 CO -0.08 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.34