#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 -0.22 0.00 1.61 0.04 -1.26 -5.09 135.00 130.09 1ug2 s PRO 2 Ca 0.00 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1ug2 s PRO 2 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1ug2 s PRO 2 CO 0.00 -3.02 0.00 0.43 0.04 0.00 0.00 177.00 174.45 1ug2 n SER 3 N -4.24 0.00 -3.65 6.66 7.64 -1.26 -5.19 113.62 113.58 1ug2 n SER 3 Ca 0.14 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.01 1ug2 n SER 3 Cb 0.59 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 1ug2 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ug2 s GLY 4 N 0.00 -0.36 -0.10 0.23 0.00 -1.26 -5.19 107.32 100.64 1ug2 s GLY 4 Ca 0.00 0.60 -0.33 0.00 0.00 0.00 0.00 44.72 44.99 1ug2 s GLY 4 CO 0.00 0.12 1.44 -0.45 0.00 0.00 0.00 173.10 174.20 1ug2 s SER 5 N -2.91 -0.00 0.00 1.64 0.15 -1.26 -5.19 113.70 106.12 1ug2 s SER 5 Ca 0.13 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1ug2 s SER 5 Cb 0.03 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1ug2 s SER 5 CO -0.02 -0.02 0.00 -1.54 1.20 0.00 0.00 173.24 172.85 1ug2 n SER 6 N -0.49 0.00 -3.65 5.45 3.41 -1.26 -5.19 113.62 111.89 1ug2 n SER 6 Ca -0.10 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.50 1ug2 n SER 6 Cb 0.64 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 1ug2 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ug2 s GLY 7 N 0.00 0.13 -0.27 5.00 0.00 -1.26 -5.18 107.32 105.74 1ug2 s GLY 7 Ca 0.00 2.93 -0.26 0.00 0.00 0.00 0.00 44.72 47.39 1ug2 s GLY 7 CO 0.00 1.16 1.19 0.00 0.00 0.00 0.00 173.10 175.45 1ug2 s ALA 8 N -0.95 -2.06 -0.22 3.20 0.00 -1.26 -5.18 121.76 115.29 1ug2 s ALA 8 Ca 0.09 1.77 -0.30 0.00 0.00 0.00 0.00 51.96 53.53 1ug2 s ALA 8 Cb -0.01 -1.45 0.16 0.00 0.00 0.00 0.00 23.12 21.81 1ug2 s ALA 8 CO -0.09 -0.20 1.17 0.20 0.00 0.00 0.00 175.76 176.84 1ug2 s GLY 9 N -0.14 -0.11 -0.33 0.00 0.00 -1.26 -5.13 107.32 100.36 1ug2 s GLY 9 Ca 0.04 2.38 -0.09 0.00 0.00 0.00 0.00 44.72 47.06 1ug2 s GLY 9 CO -0.08 1.05 1.07 0.00 0.00 0.00 0.00 173.10 175.13 1ug2 s ALA 10 N -1.12 -4.46 0.10 3.20 0.00 -1.26 -5.17 121.76 113.05 1ug2 s ALA 10 Ca 0.03 1.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.80 1ug2 s ALA 10 Cb -0.01 -3.01 0.08 0.00 0.00 0.00 0.00 23.12 20.19 1ug2 s ALA 10 CO -0.03 -2.51 0.73 -0.48 0.00 0.00 0.00 175.76 173.47 1ug2 s LEU 11 N 1.65 -0.46 0.04 0.00 0.05 -1.26 -4.73 118.68 113.96 1ug2 s LEU 11 Ca 0.17 -0.04 -0.17 0.00 0.05 0.00 0.00 54.13 54.14 1ug2 s LEU 11 Cb 0.06 2.36 -0.21 0.00 -2.05 0.00 0.00 46.19 46.35 1ug2 s LEU 11 CO -0.14 -0.84 1.17 1.55 -0.55 0.00 0.00 176.35 177.54 1ug2 h PRO 12 N 2.00 0.54 0.00 1.48 0.13 -2.08 -3.48 132.00 130.59 1ug2 h PRO 12 Ca -0.28 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1ug2 h PRO 12 Cb 1.28 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1ug2 h PRO 12 CO 0.34 1.16 0.00 1.63 -0.23 0.00 0.00 178.00 180.90 1ug2 n LYS 13 N -4.11 0.00 -1.49 0.86 5.02 -1.26 -5.16 118.16 112.02 1ug2 n LYS 13 Ca -0.10 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1ug2 n LYS 13 Cb 0.71 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.65 1ug2 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ug2 n ALA 14 N 0.00 -3.25 -3.21 7.82 0.00 -1.26 -5.05 120.51 115.56 1ug2 n ALA 14 Ca 0.00 0.80 -0.09 0.00 0.00 0.00 0.00 53.44 54.15 1ug2 n ALA 14 Cb 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 19.45 17.85 1ug2 n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ug2 s SER 15 N -6.72 -0.03 0.49 0.00 0.01 -1.26 -5.18 113.70 101.02 1ug2 s SER 15 Ca 0.00 -0.96 0.01 0.00 1.31 0.00 0.00 55.95 56.31 1ug2 s SER 15 Cb 0.00 0.60 0.01 0.00 0.21 0.00 0.00 66.02 66.85 1ug2 s SER 15 CO 0.00 -1.17 0.71 -1.61 0.41 0.00 0.00 173.24 171.58 1ug2 s GLU 16 N -3.91 2.85 -0.12 12.44 8.01 -1.26 -5.11 118.70 131.60 1ug2 s GLU 16 Ca 0.22 -0.62 -0.07 0.00 0.01 0.00 0.00 54.97 54.51 1ug2 s GLU 16 Cb -0.01 -2.53 0.05 0.00 -4.31 0.00 0.00 34.13 27.32 1ug2 s GLU 16 CO 0.10 -0.45 0.30 0.00 0.01 0.00 0.00 175.26 175.22 1ug2 s ALA 17 N -2.64 -0.72 -0.04 5.21 0.00 -1.26 -5.15 121.76 117.16 1ug2 s ALA 17 Ca 0.52 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.62 1ug2 s ALA 17 Cb -0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 1ug2 s ALA 17 CO 0.38 -0.20 -0.17 0.95 0.00 0.00 0.00 175.76 176.72 1ug2 s THR 18 N 1.02 1.40 0.24 0.00 -4.23 -1.26 -5.13 115.64 107.67 1ug2 s THR 18 Ca -0.07 -0.71 -0.12 0.00 -1.18 0.00 0.00 61.69 59.61 1ug2 s THR 18 Cb -0.08 -1.20 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 1ug2 s THR 18 CO -0.07 0.40 0.44 0.68 -0.54 0.00 0.00 174.62 175.53 1ug2 s VAL 19 N -0.02 0.01 0.44 2.29 -7.23 -1.26 -5.13 120.40 109.49 1ug2 s VAL 19 Ca -0.02 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1ug2 s VAL 19 Cb -0.11 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1ug2 s VAL 19 CO 0.02 -0.03 0.00 0.00 -0.31 0.00 0.00 175.10 174.78 1ug2 s ALA 21 N -3.90 -0.96 0.58 0.00 0.00 -1.26 -5.17 121.76 111.05 1ug2 s ALA 21 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 1ug2 s ALA 21 Cb 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 1ug2 s ALA 21 CO 0.00 -0.74 0.99 1.21 0.00 0.00 0.00 175.76 177.22 1ug2 s ASN 22 N -2.84 6.34 0.46 0.00 3.84 -1.26 -5.07 114.94 116.41 1ug2 s ASN 22 Ca 0.07 1.41 0.03 0.00 0.21 0.00 0.00 52.86 54.58 1ug2 s ASN 22 Cb 0.00 -2.46 0.01 0.00 -0.55 0.00 0.00 41.25 38.25 1ug2 s ASN 22 CO -0.07 -0.76 0.66 0.21 -2.79 0.00 0.00 177.10 174.35 1ug2 s ASN 23 N -3.86 5.65 0.78 -4.21 3.84 -1.26 -5.09 114.94 110.80 1ug2 s ASN 23 Ca 0.55 0.02 -0.11 0.00 0.21 0.00 0.00 52.86 53.53 1ug2 s ASN 23 Cb -0.11 -1.15 0.06 0.00 -0.55 0.00 0.00 41.25 39.50 1ug2 s ASN 23 CO 0.47 -0.81 1.09 -0.44 -2.79 0.00 0.00 177.10 174.62 1ug2 s SER 24 N -4.29 4.49 0.18 -4.21 0.01 -1.26 -5.07 113.70 103.55 1ug2 s SER 24 Ca 0.52 1.66 0.08 0.00 1.31 0.00 0.00 55.95 59.51 1ug2 s SER 24 Cb -0.10 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1ug2 s SER 24 CO 0.36 -2.02 -0.16 -0.54 0.41 0.00 0.00 173.24 171.30 1ug2 s LYS 25 N -4.97 1.25 0.39 12.44 3.01 -1.26 -5.16 119.74 125.44 1ug2 s LYS 25 Ca 0.61 -1.46 0.08 0.00 -1.01 0.00 0.00 55.97 54.18 1ug2 s LYS 25 Cb -0.16 -1.15 -0.07 0.00 -1.01 0.00 0.00 37.83 35.44 1ug2 s LYS 25 CO 0.56 0.21 -0.02 0.14 0.51 0.00 0.00 175.35 176.74 1ug2 s VAL 26 N -2.52 2.06 0.39 3.17 -7.23 -1.26 -5.05 120.40 109.96 1ug2 s VAL 26 Ca 0.18 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1ug2 s VAL 26 Cb -0.03 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1ug2 s VAL 26 CO 0.06 -0.07 0.00 -1.20 -0.31 0.00 0.00 175.10 173.58 1ug2 n SER 27 N -0.91 -7.30 -3.17 4.85 7.64 -1.26 -5.00 113.62 108.48 1ug2 n SER 27 Ca -0.05 1.01 -0.14 0.00 1.01 0.00 0.00 58.87 60.70 1ug2 n SER 27 Cb 0.66 -3.67 -0.05 0.00 -1.01 0.00 0.00 64.21 60.14 1ug2 n SER 27 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ug2 s SER 28 N -2.79 0.13 -0.38 6.43 0.01 -1.26 -5.11 113.70 110.73 1ug2 s SER 28 Ca 0.00 -1.95 -0.13 0.00 1.31 0.00 0.00 55.95 55.18 1ug2 s SER 28 Cb 0.00 0.86 0.02 0.00 0.21 0.00 0.00 66.02 67.11 1ug2 s SER 28 CO 0.00 -0.16 0.25 -0.89 0.41 0.00 0.00 173.24 172.85 1ug2 s THR 29 N 0.92 4.94 -0.08 1.44 2.01 -1.26 -5.05 115.64 118.57 1ug2 s THR 29 Ca 0.25 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 1ug2 s THR 29 Cb -0.04 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1ug2 s THR 29 CO -0.08 -0.23 0.20 -0.83 -0.69 0.00 0.00 174.62 172.99 1ug2 s GLY 30 N 1.63 -0.14 -0.29 4.40 0.00 -1.26 -5.00 107.32 106.66 1ug2 s GLY 30 Ca 0.04 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.41 1ug2 s GLY 30 CO 0.08 0.66 0.55 1.85 0.00 0.00 0.00 173.10 176.25 1ug2 s GLU 31 N 0.40 0.52 -0.30 2.90 2.12 -1.26 -5.12 118.70 117.96 1ug2 s GLU 31 Ca -0.02 0.80 -0.13 0.00 0.36 0.00 0.00 54.97 55.98 1ug2 s GLU 31 Cb -0.04 0.29 0.18 0.00 0.26 0.00 0.00 34.13 34.81 1ug2 s GLU 31 CO -0.02 -0.72 1.03 0.21 -0.54 0.00 0.00 175.26 175.22 1ug2 s LYS 32 N 2.79 0.22 -0.04 4.30 2.20 -1.26 -4.93 119.74 123.02 1ug2 s LYS 32 Ca 0.17 0.42 0.02 0.00 -0.36 0.00 0.00 55.97 56.22 1ug2 s LYS 32 Cb -0.14 0.24 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1ug2 s LYS 32 CO -0.22 -0.20 -0.07 0.54 -0.36 0.00 0.00 175.35 175.05 1ug2 s VAL 33 N 2.81 0.65 0.00 4.02 0.11 -1.26 -4.88 120.40 121.85 1ug2 s VAL 33 Ca 0.00 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1ug2 s VAL 33 Cb -0.09 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1ug2 s VAL 33 CO -0.13 0.23 0.00 0.55 -3.33 0.00 0.00 175.10 172.42 1ug2 n VAL 34 N 3.70 0.00 0.00 2.04 3.14 -1.26 -5.01 118.33 120.95 1ug2 n VAL 34 Ca -0.22 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1ug2 n VAL 34 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 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 -1.83 0.16 -4.89 6.55 0.00 -1.26 -5.09 117.00 110.65 1ug2 n LEU 35 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.71 1ug2 n LEU 35 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 43.42 43.48 1ug2 n LEU 35 CO 0.00 -0.22 0.76 0.26 0.00 0.00 0.00 177.39 178.19 1ug2 s TRP 36 N -1.93 3.23 0.01 1.96 0.52 -1.26 -5.08 118.94 116.39 1ug2 s TRP 36 Ca 0.00 0.98 0.07 0.00 0.02 0.00 0.00 56.10 57.17 1ug2 s TRP 36 Cb 0.00 -3.17 -0.02 0.00 -1.15 0.00 0.00 33.47 29.13 1ug2 s TRP 36 CO 0.00 -1.32 -0.21 0.95 0.02 0.00 0.00 176.95 176.39 1ug2 s THR 37 N -3.41 1.64 0.08 2.01 -4.23 -1.26 -4.80 115.64 105.68 1ug2 s THR 37 Ca 0.59 -1.04 -0.15 0.00 -1.18 0.00 0.00 61.69 59.92 1ug2 s THR 37 Cb -0.11 -1.40 -0.03 0.00 1.34 0.00 0.00 72.50 72.30 1ug2 s THR 37 CO 0.51 0.33 1.26 -1.14 -0.54 0.00 0.00 174.62 175.04 1ug2 n ARG 38 N 2.21 -0.21 -0.36 3.99 3.00 -1.26 0.26 116.66 124.30 1ug2 n ARG 38 Ca -0.16 1.24 0.08 0.00 -0.00 0.00 0.00 57.85 59.01 1ug2 n ARG 38 Cb 0.53 -1.84 0.18 0.00 0.00 0.00 0.00 32.46 31.33 1ug2 n ARG 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ug2 n GLU 39 N -4.08 -0.09 -0.17 -0.14 1.02 -1.26 0.18 120.64 116.10 1ug2 n GLU 39 Ca 0.01 1.54 -0.07 0.00 -0.02 0.00 0.00 57.16 58.62 1ug2 n GLU 39 Cb 0.13 -2.33 0.02 0.00 -0.02 0.00 0.00 31.44 29.23 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 1.99 0.65 0.15 0.62 0.00 -0.60 1.19 119.26 123.26 1ug2 h ALA 40 Ca 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1ug2 h ALA 40 Cb 0.85 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ug2 h ALA 40 CO -1.01 0.15 -0.07 0.22 0.00 0.00 0.00 179.25 178.55 1ug2 h ASP 41 N 0.67 -0.17 -0.59 0.00 1.82 0.64 -1.81 116.42 116.98 1ug2 h ASP 41 Ca 0.18 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.79 1ug2 h ASP 41 Cb 0.03 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.06 1ug2 h ASP 41 CO -0.03 -0.12 0.23 0.03 -1.61 0.00 0.00 179.24 177.74 1ug2 h ARG 42 N -0.21 0.89 -0.21 0.28 3.08 0.11 -2.84 114.38 115.48 1ug2 h ARG 42 Ca -0.02 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.90 1ug2 h ARG 42 Cb 0.16 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1ug2 h ARG 42 CO 0.03 0.76 -0.49 0.28 -1.07 0.00 0.00 179.97 179.49 1ug2 h VAL 43 N 0.82 0.00 -0.66 2.04 2.07 0.18 0.28 116.25 120.97 1ug2 h VAL 43 Ca 0.20 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.84 1ug2 h VAL 43 Cb 0.21 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.86 1ug2 h VAL 43 CO -0.02 0.00 -0.27 0.40 0.02 0.00 0.00 177.57 177.70 1ug2 h ILE 44 N -0.46 0.21 -0.80 4.57 2.04 -1.24 1.78 117.51 123.61 1ug2 h ILE 44 Ca 0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.07 1ug2 h ILE 44 Cb 0.58 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1ug2 h ILE 44 CO -0.44 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.17 1ug2 h LEU 45 N -0.09 0.39 0.02 1.44 3.38 -0.84 1.41 115.31 121.02 1ug2 h LEU 45 Ca 0.29 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ug2 h LEU 45 Cb 0.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ug2 h LEU 45 CO -0.72 0.19 -0.01 0.74 0.09 0.00 0.00 178.44 178.73 1ug2 h THR 46 N 0.41 1.29 0.72 0.22 2.02 0.54 -2.77 112.91 115.33 1ug2 h THR 46 Ca 0.40 -1.82 -0.04 0.00 0.77 0.00 0.00 66.41 65.72 1ug2 h THR 46 Cb 0.95 2.37 0.01 0.00 -1.74 0.00 0.00 68.15 69.74 1ug2 h THR 46 CO -0.13 0.41 -0.35 0.24 0.37 0.00 0.00 175.52 176.06 1ug2 h MET 47 N -0.94 -0.93 -0.01 6.66 2.86 0.28 1.48 114.93 124.32 1ug2 h MET 47 Ca -0.00 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ug2 h MET 47 Cb 0.70 0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 1ug2 h MET 47 CO 0.01 -0.61 0.21 0.00 1.06 0.00 0.00 176.91 177.58 1ug2 h GLN 49 N 0.00 0.00 0.78 0.00 5.75 -0.93 1.13 115.11 121.84 1ug2 h GLN 49 Ca 0.01 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1ug2 h GLN 49 Cb 0.44 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.99 1ug2 h GLN 49 CO -0.00 0.00 -0.37 1.49 -2.65 0.00 0.00 178.83 177.30 1ug2 h GLU 50 N -0.68 -1.01 -0.10 1.69 4.57 0.25 -3.20 114.58 116.10 1ug2 h GLU 50 Ca 0.00 0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.13 1ug2 h GLU 50 Cb 0.23 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1ug2 h GLU 50 CO 0.00 -0.67 -0.48 1.96 -1.18 0.00 0.00 179.01 178.64 1ug2 h GLN 51 N -1.28 0.26 0.00 1.92 1.08 0.13 -3.49 115.11 113.73 1ug2 h GLN 51 Ca -0.11 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1ug2 h GLN 51 Cb 0.80 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1ug2 h GLN 51 CO 0.18 0.69 0.00 0.41 -0.95 0.00 0.00 178.83 179.15 1ug2 n GLY 52 N -0.01 2.79 2.19 3.46 0.00 0.43 -4.79 105.19 109.24 1ug2 n GLY 52 Ca -0.02 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.04 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 0.62 6.78 -1.95 4.61 0.00 0.38 -4.10 120.51 126.85 1ug2 n ALA 53 Ca 0.00 -2.62 -0.26 0.00 0.00 0.00 0.00 53.44 50.56 1ug2 n ALA 53 Cb 0.00 -2.86 0.06 0.00 0.00 0.00 0.00 19.45 16.65 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 1.71 2.33 0.07 0.00 1.11 -1.26 -5.01 119.66 118.60 1ug2 s GLN 54 Ca 0.66 -0.23 -0.15 0.00 0.01 0.00 0.00 55.36 55.65 1ug2 s GLN 54 Cb 0.24 -2.20 -0.21 0.00 -1.01 0.00 0.00 33.01 29.84 1ug2 s GLN 54 CO -0.03 -1.14 1.22 -1.00 0.01 0.00 0.00 175.29 174.35 1ug2 h PRO 55 N -0.51 0.68 -0.01 2.91 0.13 -2.00 -3.25 132.00 129.95 1ug2 h PRO 55 Ca -0.44 -0.66 -0.25 0.00 -0.87 0.00 0.00 66.00 63.78 1ug2 h PRO 55 Cb 1.31 0.17 0.01 0.00 0.13 0.00 0.00 31.00 32.62 1ug2 h PRO 55 CO 0.60 1.26 -0.99 0.45 -0.23 0.00 0.00 178.00 179.09 1ug2 h HIS 56 N 0.35 0.88 -0.91 1.56 3.86 -1.96 -3.23 115.15 115.70 1ug2 h HIS 56 Ca -0.09 -0.47 0.26 0.00 -1.16 0.00 0.00 60.37 58.91 1ug2 h HIS 56 Cb 1.52 -0.10 -0.15 0.00 1.06 0.00 0.00 27.41 29.74 1ug2 h HIS 56 CO 0.11 1.30 0.29 1.15 0.86 0.00 0.00 177.93 181.64 1ug2 h THR 57 N 0.34 0.28 -0.46 2.45 2.02 -1.86 1.45 112.91 117.12 1ug2 h THR 57 Ca -0.11 -0.07 0.13 0.00 0.77 0.00 0.00 66.41 67.14 1ug2 h THR 57 Cb 1.63 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1ug2 h THR 57 CO 0.19 0.04 0.58 -0.26 0.37 0.00 0.00 175.52 176.43 1ug2 h PHE 58 N 0.20 0.00 0.00 3.16 0.04 -1.58 1.51 116.94 120.27 1ug2 h PHE 58 Ca 0.60 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.37 1ug2 h PHE 58 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1ug2 h PHE 58 CO -0.23 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.51 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.87 0.18 -1.29 113.55 115.49 1ug2 h SER 59 Ca 0.22 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1ug2 h SER 59 Cb 1.37 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1ug2 h SER 59 CO -0.00 0.00 -0.18 0.58 -0.53 0.00 0.00 176.83 176.70 1ug2 h VAL 60 N 0.00 0.03 -0.87 2.23 2.07 0.21 -3.29 116.25 116.62 1ug2 h VAL 60 Ca 0.00 -1.02 0.16 0.00 0.82 0.00 0.00 66.70 66.66 1ug2 h VAL 60 Cb 0.41 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 1ug2 h VAL 60 CO 0.00 0.01 0.44 0.40 0.02 0.00 0.00 177.57 178.44 1ug2 h ILE 61 N -1.00 0.68 -0.98 4.57 2.04 -1.51 0.33 117.51 121.63 1ug2 h ILE 61 Ca -0.00 -0.20 0.23 0.00 1.00 0.00 0.00 64.86 65.88 1ug2 h ILE 61 Cb 0.19 0.03 -0.12 0.00 -0.74 0.00 0.00 36.82 36.19 1ug2 h ILE 61 CO -0.00 0.11 0.57 -1.28 0.00 0.00 0.00 178.15 177.54 1ug2 h SER 62 N 0.59 0.65 0.20 1.72 0.87 -1.38 0.73 113.55 116.93 1ug2 h SER 62 Ca 0.49 0.13 -0.25 0.00 -1.23 0.00 0.00 61.79 60.93 1ug2 h SER 62 Cb 0.75 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1ug2 h SER 62 CO -0.39 0.12 -1.00 1.56 -0.53 0.00 0.00 176.83 176.59 1ug2 h GLN 63 N 0.59 0.54 -0.73 2.24 4.20 -0.49 -2.93 115.11 118.52 1ug2 h GLN 63 Ca 0.62 -0.59 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1ug2 h GLN 63 Cb 1.13 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.04 1ug2 h GLN 63 CO -0.46 1.21 0.33 1.96 -0.67 0.00 0.00 178.83 181.19 1ug2 h GLN 64 N 0.30 1.07 -0.15 1.46 4.20 0.11 -2.76 115.11 119.34 1ug2 h GLN 64 Ca -0.10 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.47 1ug2 h GLN 64 Cb 1.64 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 29.20 1ug2 h GLN 64 CO 0.18 0.86 -0.09 -0.07 -0.67 0.00 0.00 178.83 179.04 1ug2 h LEU 65 N 1.04 -0.30 0.00 1.46 3.38 0.24 -3.48 115.31 117.65 1ug2 h LEU 65 Ca 0.25 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1ug2 h LEU 65 Cb 0.16 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ug2 h LEU 65 CO -0.03 -0.12 0.00 0.61 0.09 0.00 0.00 178.44 178.99 1ug2 n GLY 66 N -1.24 3.16 0.39 0.83 0.00 -1.04 -4.82 105.19 102.46 1ug2 n GLY 66 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1ug2 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ug2 n ASN 67 N 0.00 0.00 -4.81 1.61 2.85 -1.26 -4.88 115.26 108.77 1ug2 n ASN 67 Ca 0.00 -1.71 -0.34 0.00 -0.11 0.00 0.00 54.58 52.42 1ug2 n ASN 67 Cb 0.00 -0.14 -0.07 0.00 1.24 0.00 0.00 39.78 40.81 1ug2 n ASN 67 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1ug2 s LYS 68 N 0.00 4.32 0.31 1.20 2.47 -1.11 -5.07 119.74 121.86 1ug2 s LYS 68 Ca 0.00 1.18 0.05 0.00 -1.56 0.00 0.00 55.97 55.64 1ug2 s LYS 68 Cb 0.00 -2.35 -0.02 0.00 -1.46 0.00 0.00 37.83 34.01 1ug2 s LYS 68 CO 0.00 0.05 0.46 0.95 0.16 0.00 0.00 175.35 176.96 1ug2 s THR 69 N -2.02 4.50 -0.26 3.43 -4.23 -1.26 -4.23 115.64 111.57 1ug2 s THR 69 Ca 0.59 -0.93 0.28 0.00 -1.18 0.00 0.00 61.69 60.45 1ug2 s THR 69 Cb -0.12 -3.58 0.35 0.00 1.34 0.00 0.00 72.50 70.49 1ug2 s THR 69 CO 0.16 -0.25 1.79 1.55 -0.54 0.00 0.00 174.62 177.33 1ug2 h PRO 70 N 0.93 0.00 0.00 3.99 0.13 -1.92 -1.45 132.00 133.67 1ug2 h PRO 70 Ca -0.48 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.46 1ug2 h PRO 70 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1ug2 h PRO 70 CO 0.56 0.00 -0.92 -0.24 -0.23 0.00 0.00 178.00 177.18 1ug2 h VAL 71 N 0.00 1.65 0.19 1.56 3.04 -1.94 -2.68 116.25 118.07 1ug2 h VAL 71 Ca 0.00 -3.15 -0.32 0.00 -1.01 0.00 0.00 66.70 62.22 1ug2 h VAL 71 Cb 0.71 2.70 0.02 0.00 -2.01 0.00 0.00 31.29 32.71 1ug2 h VAL 71 CO 0.00 0.90 -1.51 -0.33 -1.01 0.00 0.00 177.57 175.61 1ug2 h GLU 72 N 0.00 0.40 -0.30 4.17 4.39 -1.91 -3.16 114.58 118.16 1ug2 h GLU 72 Ca -0.01 -0.68 -0.00 0.00 0.34 0.00 0.00 59.36 59.01 1ug2 h GLU 72 Cb 1.63 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 30.52 1ug2 h GLU 72 CO 0.12 1.32 0.17 0.28 -1.16 0.00 0.00 179.01 179.74 1ug2 h VAL 73 N -0.02 1.09 0.00 3.13 2.07 -1.34 0.29 116.25 121.47 1ug2 h VAL 73 Ca -0.29 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ug2 h VAL 73 Cb 2.00 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1ug2 h VAL 73 CO 0.18 0.10 0.00 -1.28 0.02 0.00 0.00 177.57 176.59 1ug2 h SER 74 N 0.41 0.00 0.65 0.57 0.87 -1.55 -1.51 113.55 112.99 1ug2 h SER 74 Ca 0.11 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.52 1ug2 h SER 74 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1ug2 h SER 74 CO -0.02 0.00 -1.46 1.41 -0.53 0.00 0.00 176.83 176.23 1ug2 n HIS 75 N -2.51 0.85 0.05 2.24 -0.00 0.80 -3.12 115.22 113.53 1ug2 n HIS 75 Ca 0.04 0.28 -0.12 0.00 -0.00 0.00 0.00 57.72 57.91 1ug2 n HIS 75 Cb 0.37 -1.03 -0.13 0.00 -0.00 0.00 0.00 29.99 29.20 1ug2 n HIS 75 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1ug2 h ARG 76 N 0.00 0.13 -0.07 -0.41 9.65 -0.67 -3.05 114.38 119.95 1ug2 h ARG 76 Ca -0.15 -0.22 -0.06 0.00 -1.10 0.00 0.00 59.98 58.44 1ug2 h ARG 76 Cb 1.51 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 30.17 1ug2 h ARG 76 CO 0.04 0.99 -0.20 0.35 2.80 0.00 0.00 179.97 183.95 1ug2 h PHE 77 N 0.04 0.35 0.00 2.20 3.57 -1.42 -1.15 116.94 120.52 1ug2 h PHE 77 Ca -0.16 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 1ug2 h PHE 77 Cb 1.93 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.60 1ug2 h PHE 77 CO 0.03 0.82 -0.10 0.07 -2.23 0.00 0.00 178.31 176.90 1ug2 h ARG 78 N -0.22 0.00 0.03 1.11 -0.00 -1.68 -2.05 114.38 111.57 1ug2 h ARG 78 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.92 1ug2 h ARG 78 Cb 0.82 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.79 1ug2 h ARG 78 CO 0.04 0.10 -0.24 0.93 -0.00 0.00 0.00 179.97 180.80 1ug2 h GLU 79 N 0.00 0.11 -0.00 0.08 4.39 -1.44 -2.90 114.58 114.82 1ug2 h GLU 79 Ca -0.00 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.58 1ug2 h GLU 79 Cb 0.25 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1ug2 h GLU 79 CO 0.01 1.01 -0.37 -0.07 -1.16 0.00 0.00 179.01 178.43 1ug2 h LEU 80 N -0.71 -1.12 -0.70 1.33 3.38 -0.84 0.56 115.31 117.21 1ug2 h LEU 80 Ca -0.04 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ug2 h LEU 80 Cb 1.11 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1ug2 h LEU 80 CO 0.05 -0.42 0.00 0.23 0.09 0.00 0.00 178.44 178.38 1ug2 n MET 81 N -5.43 0.08 -0.09 1.13 2.81 -0.80 -2.15 117.12 112.67 1ug2 n MET 81 Ca -0.05 0.52 -0.16 0.00 -1.81 0.00 0.00 57.70 56.20 1ug2 n MET 81 Cb 0.35 -1.74 -0.10 0.00 -0.71 0.00 0.00 33.22 31.01 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 0.00 -0.34 0.03 4.15 0.12 -3.14 115.11 115.93 1ug2 h GLN 82 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1ug2 h GLN 82 Cb 0.07 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.70 1ug2 h GLN 82 CO 0.00 0.84 -0.42 -0.07 -1.93 0.00 0.00 178.83 177.25 1ug2 h LEU 83 N -1.00 -1.42 -0.39 -2.39 3.38 0.12 -0.50 115.31 113.11 1ug2 h LEU 83 Ca -0.18 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1ug2 h LEU 83 Cb 1.04 0.59 -0.08 0.00 0.09 0.00 0.00 40.66 42.30 1ug2 h LEU 83 CO -0.11 -0.29 -0.19 -0.26 0.09 0.00 0.00 178.44 177.68 1ug2 h PHE 84 N -0.27 -0.47 -0.43 1.13 0.04 -1.72 0.59 116.94 115.81 1ug2 h PHE 84 Ca 0.06 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.91 1ug2 h PHE 84 Cb 0.43 0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.79 1ug2 h PHE 84 CO -0.72 -0.27 -0.32 1.25 -0.60 0.00 0.00 178.31 177.65 1ug2 h HIS 85 N -0.12 -1.02 0.53 -0.55 2.76 -1.11 -1.93 115.15 113.72 1ug2 h HIS 85 Ca 0.19 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.40 1ug2 h HIS 85 Cb 0.41 0.50 0.01 0.00 1.55 0.00 0.00 27.41 29.88 1ug2 h HIS 85 CO -0.42 -0.23 -0.25 1.79 -1.30 0.00 0.00 177.93 177.52 1ug2 h THR 86 N -0.09 0.48 -4.81 6.26 1.35 -0.65 -3.49 112.91 111.96 1ug2 h THR 86 Ca 0.07 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1ug2 h THR 86 Cb 0.27 0.48 -0.04 0.00 -1.73 0.00 0.00 68.15 67.13 1ug2 h THR 86 CO -0.45 0.00 -1.18 0.00 -0.25 0.00 0.00 175.52 173.64 1ug2 n ALA 87 N -2.40 -2.52 0.18 6.62 0.00 0.20 -5.03 120.51 117.56 1ug2 n ALA 87 Ca -0.12 1.09 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1ug2 n ALA 87 Cb 0.29 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.25 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 -3.23 -3.07 -3.03 0.00 1.02 -1.26 -4.94 120.64 106.12 1ug2 n GLU 89 Ca 0.00 2.48 -0.06 0.00 -0.02 0.00 0.00 57.16 59.56 1ug2 n GLU 89 Cb 0.00 -3.43 0.01 0.00 -0.02 0.00 0.00 31.44 27.99 1ug2 n GLU 89 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ug2 n SER 90 N -3.71 -7.62 -0.32 1.62 2.88 -1.26 -5.05 113.62 100.16 1ug2 n SER 90 Ca -0.07 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1ug2 n SER 90 Cb 0.56 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 59.01 1ug2 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug2 n GLY 91 N -1.11 1.73 0.08 0.46 0.00 -1.26 -5.03 105.19 100.06 1ug2 n GLY 91 Ca 0.03 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 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 0.09 -5.30 1.61 0.13 -2.05 -3.45 132.00 123.03 1ug2 h PRO 92 Ca 0.00 -0.08 -0.55 0.00 -0.87 0.00 0.00 66.00 64.50 1ug2 h PRO 92 Cb 0.00 0.02 -0.31 0.00 0.13 0.00 0.00 31.00 30.84 1ug2 h PRO 92 CO 0.00 0.81 -0.83 -1.12 -0.23 0.00 0.00 178.00 176.63 1ug2 s SER 93 N -6.11 2.07 0.15 1.44 0.01 -1.26 -5.13 113.70 104.87 1ug2 s SER 93 Ca -0.17 -0.33 -0.25 0.00 1.31 0.00 0.00 55.95 56.51 1ug2 s SER 93 Cb 0.00 -0.52 0.07 0.00 0.21 0.00 0.00 66.02 65.78 1ug2 s SER 93 CO 0.71 0.16 1.01 -0.44 0.41 0.00 0.00 173.24 175.09 1ug2 s SER 94 N -0.01 -0.11 0.00 2.44 0.01 -1.26 -5.05 113.70 109.72 1ug2 s SER 94 Ca -0.02 -0.46 0.31 0.00 1.31 0.00 0.00 55.95 57.09 1ug2 s SER 94 Cb -0.11 0.46 1.76 0.00 0.21 0.00 0.00 66.02 68.35 1ug2 s SER 94 CO 0.02 -0.88 2.15 0.61 0.41 0.00 0.00 173.24 175.55