#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 -0.36 0.42 1.61 0.04 -1.26 -5.09 135.00 130.36 1ug2 s PRO 2 Ca 0.00 -0.27 0.07 0.00 0.04 0.00 0.00 61.00 60.84 1ug2 s PRO 2 Cb 0.00 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.76 1ug2 s PRO 2 CO 0.00 -3.10 0.09 -1.54 0.04 0.00 0.00 177.00 172.49 1ug2 s SER 3 N -4.42 4.14 0.04 6.66 1.04 -1.26 -5.16 113.70 114.75 1ug2 s SER 3 Ca 0.73 -1.26 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 1ug2 s SER 3 Cb -0.06 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.65 1ug2 s SER 3 CO 0.55 -0.52 0.02 -0.83 0.98 0.00 0.00 173.24 173.43 1ug2 s GLY 4 N -3.81 0.32 -0.17 7.32 0.00 -1.26 -5.16 107.32 104.56 1ug2 s GLY 4 Ca 0.36 -0.88 -0.35 0.00 0.00 0.00 0.00 44.72 43.85 1ug2 s GLY 4 CO 0.19 -1.00 1.40 -0.45 0.00 0.00 0.00 173.10 173.25 1ug2 s SER 5 N -2.44 -0.02 0.29 1.64 0.15 -1.26 -5.18 113.70 106.88 1ug2 s SER 5 Ca -0.01 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 56.72 1ug2 s SER 5 Cb 0.02 0.03 -0.06 0.00 -1.71 0.00 0.00 66.02 64.30 1ug2 s SER 5 CO -0.07 -0.05 -0.12 -0.55 1.20 0.00 0.00 173.24 173.65 1ug2 s SER 6 N -2.59 3.23 0.00 5.45 0.15 -1.26 -5.14 113.70 113.54 1ug2 s SER 6 Ca 0.13 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1ug2 s SER 6 Cb 0.04 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1ug2 s SER 6 CO -0.05 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1ug2 n GLY 7 N -0.62 4.64 3.14 9.45 0.00 -1.26 -5.17 105.19 115.37 1ug2 n GLY 7 Ca -0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.58 -0.76 0.00 4.61 0.00 -1.26 -5.11 121.76 117.66 1ug2 s ALA 8 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1ug2 s ALA 8 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1ug2 s ALA 8 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1ug2 n GLY 9 N 4.35 1.44 3.48 0.00 0.00 -1.26 -4.90 105.19 108.31 1ug2 n GLY 9 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.00 -1.09 -0.77 4.61 0.00 -1.26 -4.67 120.51 114.33 1ug2 n ALA 10 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1ug2 n ALA 10 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 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 0.25 -0.71 -4.78 0.00 -0.00 -1.26 -5.01 117.00 105.49 1ug2 n LEU 11 Ca 0.12 1.36 -0.29 0.00 -0.00 0.00 0.00 56.01 57.19 1ug2 n LEU 11 Cb 0.48 -1.31 0.17 0.00 -0.00 0.00 0.00 43.42 42.75 1ug2 n LEU 11 CO 0.51 -0.72 0.73 -2.16 -0.00 0.00 0.00 177.39 175.74 1ug2 s PRO 12 N -4.25 0.55 0.86 1.47 0.04 -1.26 -5.00 135.00 127.41 1ug2 s PRO 12 Ca 0.00 0.07 -0.12 0.00 0.04 0.00 0.00 61.00 60.99 1ug2 s PRO 12 Cb 0.00 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 32.86 1ug2 s PRO 12 CO 0.00 -2.55 1.17 0.15 0.04 0.00 0.00 177.00 175.81 1ug2 s LYS 13 N -5.44 1.35 0.44 4.56 -0.14 -1.26 -5.04 119.74 114.21 1ug2 s LYS 13 Ca 0.67 1.63 0.03 0.00 -1.36 0.00 0.00 55.97 56.95 1ug2 s LYS 13 Cb -0.11 -1.76 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 1ug2 s LYS 13 CO 0.54 -2.40 0.04 0.00 -0.76 0.00 0.00 175.35 172.76 1ug2 s ALA 14 N -2.43 3.36 0.18 5.17 0.00 -1.26 -5.17 121.76 121.61 1ug2 s ALA 14 Ca 0.69 -1.28 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 1ug2 s ALA 14 Cb -0.25 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.24 1ug2 s ALA 14 CO 0.54 -0.16 0.60 -1.54 0.00 0.00 0.00 175.76 175.20 1ug2 s SER 15 N -3.72 -0.47 0.26 0.00 1.04 -1.26 -5.19 113.70 104.36 1ug2 s SER 15 Ca 0.21 -0.15 -0.15 0.00 0.48 0.00 0.00 55.95 56.34 1ug2 s SER 15 Cb 0.05 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1ug2 s SER 15 CO 0.11 -1.02 0.55 -1.61 0.98 0.00 0.00 173.24 172.24 1ug2 s GLU 16 N -3.79 1.63 0.72 4.02 2.02 -1.26 -5.17 118.70 116.86 1ug2 s GLU 16 Ca 0.03 -1.20 -0.06 0.00 0.02 0.00 0.00 54.97 53.77 1ug2 s GLU 16 Cb -0.02 0.51 0.08 0.00 0.10 0.00 0.00 34.13 34.81 1ug2 s GLU 16 CO -0.09 -0.70 1.02 0.00 0.02 0.00 0.00 175.26 175.50 1ug2 s ALA 17 N -3.94 3.23 -0.13 5.21 0.00 -1.26 -5.11 121.76 119.77 1ug2 s ALA 17 Ca 0.20 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 1ug2 s ALA 17 Cb -0.02 -2.47 0.06 0.00 0.00 0.00 0.00 23.12 20.69 1ug2 s ALA 17 CO 0.09 -1.38 0.29 -0.08 0.00 0.00 0.00 175.76 174.68 1ug2 s THR 18 N -3.24 -0.18 -0.59 0.00 -1.32 -1.26 -5.09 115.64 103.96 1ug2 s THR 18 Ca 0.62 0.18 0.05 0.00 -1.21 0.00 0.00 61.69 61.33 1ug2 s THR 18 Cb -0.09 -0.46 0.19 0.00 -1.51 0.00 0.00 72.50 70.63 1ug2 s THR 18 CO 0.45 0.07 0.49 0.52 -2.21 0.00 0.00 174.62 173.94 1ug2 n VAL 19 N 4.62 0.75 -1.63 5.08 0.31 -1.26 -5.08 118.33 121.12 1ug2 n VAL 19 Ca -0.19 -4.45 -0.52 0.00 -0.01 0.00 0.00 64.34 59.18 1ug2 n VAL 19 Cb 0.52 -2.01 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 1ug2 n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ug2 n ALA 21 N 3.42 -2.60 -1.61 0.00 0.00 -1.26 -5.15 120.51 113.30 1ug2 n ALA 21 Ca 0.20 -0.64 -0.32 0.00 0.00 0.00 0.00 53.44 52.68 1ug2 n ALA 21 Cb 0.20 -2.21 0.03 0.00 0.00 0.00 0.00 19.45 17.46 1ug2 n ALA 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ug2 s ASN 22 N 0.57 5.59 0.10 0.00 4.22 -1.26 -5.06 114.94 119.10 1ug2 s ASN 22 Ca 0.28 1.78 0.10 0.00 -2.14 0.00 0.00 52.86 52.88 1ug2 s ASN 22 Cb 0.08 -2.53 -0.04 0.00 1.28 0.00 0.00 41.25 40.05 1ug2 s ASN 22 CO -0.09 -1.30 -0.25 0.21 -2.04 0.00 0.00 177.10 173.63 1ug2 s ASN 23 N -3.03 3.05 -0.02 3.54 3.84 -1.26 -5.13 114.94 115.93 1ug2 s ASN 23 Ca 0.62 -0.69 -0.00 0.00 0.21 0.00 0.00 52.86 53.00 1ug2 s ASN 23 Cb -0.16 -0.21 0.03 0.00 -0.55 0.00 0.00 41.25 40.36 1ug2 s ASN 23 CO 0.42 0.17 0.04 -0.55 -2.79 0.00 0.00 177.10 174.39 1ug2 s SER 24 N -1.80 0.13 0.17 -4.21 0.15 -1.26 -5.14 113.70 101.74 1ug2 s SER 24 Ca 0.11 0.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.58 1ug2 s SER 24 Cb -0.10 -0.06 0.07 0.00 -1.71 0.00 0.00 66.02 64.21 1ug2 s SER 24 CO 0.05 -0.14 0.97 -0.75 1.20 0.00 0.00 173.24 174.57 1ug2 s LYS 25 N 1.15 1.25 0.09 5.44 2.20 -1.26 -5.17 119.74 123.44 1ug2 s LYS 25 Ca -0.08 -0.72 0.09 0.00 -0.36 0.00 0.00 55.97 54.90 1ug2 s LYS 25 Cb -0.13 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 1ug2 s LYS 25 CO -0.03 -0.58 -0.22 0.54 -0.36 0.00 0.00 175.35 174.70 1ug2 s VAL 26 N -3.04 2.56 -0.23 4.02 0.11 -1.26 -5.12 120.40 117.44 1ug2 s VAL 26 Ca 0.14 -1.48 -0.10 0.00 -2.93 0.00 0.00 61.98 57.61 1ug2 s VAL 26 Cb -0.02 -2.12 0.09 0.00 -1.53 0.00 0.00 36.38 32.81 1ug2 s VAL 26 CO 0.03 0.20 0.51 -0.94 -3.33 0.00 0.00 175.10 171.57 1ug2 s SER 27 N -1.81 -0.62 -0.29 3.54 1.04 -1.26 -5.15 113.70 109.15 1ug2 s SER 27 Ca 0.15 1.18 -0.16 0.00 0.48 0.00 0.00 55.95 57.60 1ug2 s SER 27 Cb -0.10 1.41 0.15 0.00 0.10 0.00 0.00 66.02 67.58 1ug2 s SER 27 CO 0.07 -0.22 1.00 -0.55 0.98 0.00 0.00 173.24 174.51 1ug2 s SER 28 N 2.21 -0.48 -0.44 7.02 0.15 -1.26 -5.08 113.70 115.82 1ug2 s SER 28 Ca -0.06 0.75 0.08 0.00 0.70 0.00 0.00 55.95 57.42 1ug2 s SER 28 Cb -0.10 1.25 0.33 0.00 -1.71 0.00 0.00 66.02 65.80 1ug2 s SER 28 CO -0.15 -0.12 1.05 1.07 1.20 0.00 0.00 173.24 176.29 1ug2 n THR 29 N 3.83 -0.02 0.00 6.45 5.66 -1.26 -5.13 114.28 123.81 1ug2 n THR 29 Ca -0.17 -2.16 0.00 0.00 -3.05 0.00 0.00 64.05 58.67 1ug2 n THR 29 Cb 0.57 1.10 0.00 0.00 -1.55 0.00 0.00 70.33 70.45 1ug2 n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ug2 n GLY 30 N 0.29 4.25 3.15 1.09 0.00 -1.26 -5.03 105.19 107.68 1ug2 n GLY 30 Ca 0.10 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 1ug2 n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ug2 s GLU 31 N -3.08 0.77 -0.24 1.61 2.02 -1.26 -5.14 118.70 113.38 1ug2 s GLU 31 Ca 0.00 -1.14 -0.18 0.00 0.02 0.00 0.00 54.97 53.67 1ug2 s GLU 31 Cb 0.00 -0.35 0.07 0.00 0.10 0.00 0.00 34.13 33.95 1ug2 s GLU 31 CO 0.00 0.03 0.62 0.21 0.02 0.00 0.00 175.26 176.14 1ug2 s LYS 32 N -2.93 0.68 0.02 1.61 2.36 -1.26 -5.04 119.74 115.18 1ug2 s LYS 32 Ca 0.04 0.97 0.03 0.00 -2.55 0.00 0.00 55.97 54.46 1ug2 s LYS 32 Cb -0.01 0.24 -0.02 0.00 -1.05 0.00 0.00 37.83 36.99 1ug2 s LYS 32 CO -0.02 -0.12 -0.09 0.54 1.55 0.00 0.00 175.35 177.21 1ug2 s VAL 33 N 0.87 0.71 0.00 4.02 0.11 -1.26 -4.94 120.40 119.91 1ug2 s VAL 33 Ca -0.04 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1ug2 s VAL 33 Cb -0.05 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1ug2 s VAL 33 CO -0.07 -0.04 0.00 0.55 -3.33 0.00 0.00 175.10 172.21 1ug2 n VAL 34 N 2.21 0.00 0.00 2.04 3.14 -1.26 -5.05 118.33 119.41 1ug2 n VAL 34 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1ug2 n VAL 34 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 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 -1.75 0.00 -4.85 6.55 0.00 -1.26 -5.07 117.00 110.62 1ug2 n LEU 35 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 56.01 55.70 1ug2 n LEU 35 Cb 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 43.42 43.41 1ug2 n LEU 35 CO 0.00 -0.19 0.71 0.26 0.00 0.00 0.00 177.39 178.17 1ug2 s TRP 36 N -0.39 3.45 0.23 1.96 0.52 -1.26 -5.08 118.94 118.37 1ug2 s TRP 36 Ca 0.00 1.35 0.09 0.00 0.02 0.00 0.00 56.10 57.56 1ug2 s TRP 36 Cb 0.00 -2.78 -0.05 0.00 -1.15 0.00 0.00 33.47 29.49 1ug2 s TRP 36 CO 0.00 -0.81 -0.16 -0.08 0.02 0.00 0.00 176.95 175.92 1ug2 s THR 37 N -3.05 1.97 0.10 2.01 -1.32 -1.26 -4.78 115.64 109.30 1ug2 s THR 37 Ca 0.57 -2.27 -0.26 0.00 -1.21 0.00 0.00 61.69 58.52 1ug2 s THR 37 Cb -0.12 -2.13 -0.09 0.00 -1.51 0.00 0.00 72.50 68.65 1ug2 s THR 37 CO 0.51 -0.53 1.42 -0.09 -2.21 0.00 0.00 174.62 173.72 1ug2 h ARG 38 N 2.46 -0.36 0.00 7.08 9.65 -1.97 0.72 114.38 131.97 1ug2 h ARG 38 Ca -0.39 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 1ug2 h ARG 38 Cb 1.23 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1ug2 h ARG 38 CO 0.61 -0.24 0.00 -1.91 2.80 0.00 0.00 179.97 181.23 1ug2 n GLU 39 N -4.76 0.00 -0.20 0.20 2.13 -1.26 0.20 120.64 116.95 1ug2 n GLU 39 Ca -0.04 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1ug2 n GLU 39 Cb 0.28 -1.26 0.09 0.00 0.27 0.00 0.00 31.44 30.82 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ug2 h ALA 40 N -1.07 0.53 -0.86 4.31 0.00 -1.92 1.37 119.26 121.63 1ug2 h ALA 40 Ca 0.00 0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.28 1ug2 h ALA 40 Cb 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 1ug2 h ALA 40 CO 0.00 -0.41 0.42 -0.44 0.00 0.00 0.00 179.25 178.82 1ug2 h ASP 41 N 0.07 0.46 0.14 0.00 5.19 0.40 0.11 116.42 122.80 1ug2 h ASP 41 Ca 0.31 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.82 1ug2 h ASP 41 Cb 0.50 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1ug2 h ASP 41 CO -0.56 0.15 -0.07 0.03 -3.12 0.00 0.00 179.24 175.68 1ug2 h ARG 42 N 0.55 -0.18 -0.98 3.56 3.08 0.69 -3.16 114.38 117.94 1ug2 h ARG 42 Ca 0.49 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.79 1ug2 h ARG 42 Cb 0.76 0.04 -0.18 0.00 0.08 0.00 0.00 29.97 30.67 1ug2 h ARG 42 CO -0.41 0.23 -0.06 0.28 -1.07 0.00 0.00 179.97 178.94 1ug2 h VAL 43 N -0.92 0.02 0.20 2.04 2.07 0.21 1.50 116.25 121.38 1ug2 h VAL 43 Ca -0.02 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1ug2 h VAL 43 Cb 0.50 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1ug2 h VAL 43 CO 0.03 0.00 -0.49 0.40 0.02 0.00 0.00 177.57 177.53 1ug2 h ILE 44 N 0.01 0.00 -0.35 4.57 2.04 -0.85 1.15 117.51 124.08 1ug2 h ILE 44 Ca 0.55 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.44 1ug2 h ILE 44 Cb 1.05 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1ug2 h ILE 44 CO -0.95 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 177.31 1ug2 h LEU 45 N -0.76 0.26 0.16 1.44 3.38 -0.20 1.30 115.31 120.89 1ug2 h LEU 45 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ug2 h LEU 45 Cb 0.74 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1ug2 h LEU 45 CO -0.22 0.19 -0.33 0.74 0.09 0.00 0.00 178.44 178.91 1ug2 h THR 46 N 0.36 0.00 -0.51 0.22 2.02 0.25 1.44 112.91 116.70 1ug2 h THR 46 Ca 0.15 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1ug2 h THR 46 Cb 0.05 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 1ug2 h THR 46 CO -0.10 0.00 0.30 0.24 0.37 0.00 0.00 175.52 176.33 1ug2 h MET 47 N -0.54 0.69 0.00 6.66 2.86 0.15 0.79 114.93 125.55 1ug2 h MET 47 Ca -0.02 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1ug2 h MET 47 Cb 0.51 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1ug2 h MET 47 CO -0.14 0.51 0.00 0.00 1.06 0.00 0.00 176.91 178.34 1ug2 h GLN 49 N 0.00 0.00 1.02 0.00 5.75 0.41 0.86 115.11 123.15 1ug2 h GLN 49 Ca 0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1ug2 h GLN 49 Cb 0.17 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.73 1ug2 h GLN 49 CO 0.00 0.00 -0.49 1.49 -2.65 0.00 0.00 178.83 177.18 1ug2 h GLU 50 N -0.68 -1.32 -0.02 1.69 4.22 0.58 -3.07 114.58 115.98 1ug2 h GLU 50 Ca 0.00 0.09 -0.14 0.00 0.08 0.00 0.00 59.36 59.39 1ug2 h GLU 50 Cb 0.34 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1ug2 h GLU 50 CO 0.00 -0.88 -0.65 1.96 -2.18 0.00 0.00 179.01 177.26 1ug2 h GLN 51 N -1.37 0.09 0.00 1.92 1.08 -0.23 -3.50 115.11 113.10 1ug2 h GLN 51 Ca -0.14 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1ug2 h GLN 51 Cb 1.05 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 1ug2 h GLN 51 CO 0.23 0.71 0.00 0.41 -0.95 0.00 0.00 178.83 179.23 1ug2 n GLY 52 N 0.36 2.63 3.41 3.46 0.00 -0.17 -4.84 105.19 110.04 1ug2 n GLY 52 Ca -0.02 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 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 0.87 3.62 -2.43 4.61 0.00 0.29 -4.18 120.51 123.30 1ug2 n ALA 53 Ca 0.00 -3.70 -0.22 0.00 0.00 0.00 0.00 53.44 49.52 1ug2 n ALA 53 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 19.45 15.76 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 4.44 1.40 0.00 0.00 -2.07 -1.26 -5.02 119.66 117.15 1ug2 s GLN 54 Ca 0.55 -1.54 0.23 0.00 -1.82 0.00 0.00 55.36 52.78 1ug2 s GLN 54 Cb 0.06 -1.43 1.09 0.00 -1.09 0.00 0.00 33.01 31.63 1ug2 s GLN 54 CO 0.06 0.28 1.73 -0.35 -1.32 0.00 0.00 175.29 175.69 1ug2 n PRO 55 N -0.06 0.24 0.05 9.60 -0.04 -1.26 -2.10 135.00 141.43 1ug2 n PRO 55 Ca -0.10 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1ug2 n PRO 55 Cb 0.58 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1ug2 n PRO 55 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ug2 n HIS 56 N -1.34 0.47 0.04 0.54 8.25 -1.26 -4.03 115.22 117.89 1ug2 n HIS 56 Ca 0.09 0.14 -0.22 0.00 -0.26 0.00 0.00 57.72 57.47 1ug2 n HIS 56 Cb 0.20 -0.59 -0.14 0.00 1.12 0.00 0.00 29.99 30.57 1ug2 n HIS 56 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1ug2 h THR 57 N 0.00 0.78 -1.02 1.59 2.02 -1.73 -3.34 112.91 111.21 1ug2 h THR 57 Ca 0.00 -2.43 0.29 0.00 0.77 0.00 0.00 66.41 65.05 1ug2 h THR 57 Cb 0.76 2.64 -0.05 0.00 -1.74 0.00 0.00 68.15 69.76 1ug2 h THR 57 CO 0.00 0.88 0.73 -0.26 0.37 0.00 0.00 175.52 177.24 1ug2 h PHE 58 N 0.09 0.08 0.00 3.16 0.04 -1.68 1.48 116.94 120.10 1ug2 h PHE 58 Ca -0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1ug2 h PHE 58 Cb 2.07 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.19 1ug2 h PHE 58 CO 0.09 0.01 0.00 1.03 -0.60 0.00 0.00 178.31 178.84 1ug2 h SER 59 N 0.05 0.00 0.00 2.17 0.87 -1.73 0.67 113.55 115.58 1ug2 h SER 59 Ca 0.50 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.78 1ug2 h SER 59 Cb 1.89 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.80 1ug2 h SER 59 CO -0.04 0.00 -1.53 0.52 -0.53 0.00 0.00 176.83 175.25 1ug2 n VAL 60 N -2.97 1.53 -0.33 2.23 0.31 0.50 -3.90 118.33 115.70 1ug2 n VAL 60 Ca -0.01 -0.10 -0.04 0.00 -0.01 0.00 0.00 64.34 64.18 1ug2 n VAL 60 Cb 0.17 -2.02 0.09 0.00 -0.91 0.00 0.00 33.84 31.17 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 1.26 -0.88 2.52 2.04 -1.15 0.92 117.51 121.23 1ug2 h ILE 61 Ca -0.42 -0.62 0.16 0.00 1.00 0.00 0.00 64.86 64.99 1ug2 h ILE 61 Cb 1.35 0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 1ug2 h ILE 61 CO -0.25 0.28 0.57 0.77 0.00 0.00 0.00 178.15 179.52 1ug2 h SER 62 N 1.24 0.54 0.30 1.72 4.64 0.17 0.45 113.55 122.61 1ug2 h SER 62 Ca 0.31 0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 61.34 1ug2 h SER 62 Cb 0.01 -0.06 0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1ug2 h SER 62 CO -0.05 0.25 -1.53 1.56 -0.87 0.00 0.00 176.83 176.19 1ug2 h GLN 63 N 0.56 0.46 -0.95 4.77 4.20 -1.38 -3.07 115.11 119.70 1ug2 h GLN 63 Ca 0.45 -0.79 0.01 0.00 0.06 0.00 0.00 58.65 58.37 1ug2 h GLN 63 Cb 0.89 0.30 -0.05 0.00 0.30 0.00 0.00 27.48 28.92 1ug2 h GLN 63 CO -0.19 1.37 0.62 1.96 -0.67 0.00 0.00 178.83 181.92 1ug2 h GLN 64 N 0.13 1.27 -0.17 1.46 4.20 0.82 -2.40 115.11 120.42 1ug2 h GLN 64 Ca -0.27 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.39 1ug2 h GLN 64 Cb 2.13 -0.28 -0.04 0.00 0.30 0.00 0.00 27.48 29.59 1ug2 h GLN 64 CO 0.24 0.85 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.11 1ug2 h LEU 65 N 1.30 -0.24 0.00 1.46 3.38 -0.26 -3.48 115.31 117.47 1ug2 h LEU 65 Ca 0.35 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1ug2 h LEU 65 Cb -0.13 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ug2 h LEU 65 CO -0.07 -0.09 0.00 0.61 0.09 0.00 0.00 178.44 178.97 1ug2 n GLY 66 N -1.22 2.99 0.24 0.83 0.00 -0.90 -4.79 105.19 102.34 1ug2 n GLY 66 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 0.47 -4.78 1.61 4.13 -1.26 -4.90 115.26 110.54 1ug2 n ASN 67 Ca 0.00 -1.81 -0.38 0.00 1.68 0.00 0.00 54.58 54.07 1ug2 n ASN 67 Cb 0.00 -0.15 -0.06 0.00 -1.54 0.00 0.00 39.78 38.03 1ug2 n ASN 67 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1ug2 s LYS 68 N -0.45 4.63 0.46 3.52 2.47 -1.16 -5.06 119.74 124.16 1ug2 s LYS 68 Ca 0.04 1.34 -0.03 0.00 -1.56 0.00 0.00 55.97 55.75 1ug2 s LYS 68 Cb 0.04 -2.93 -0.02 0.00 -1.46 0.00 0.00 37.83 33.45 1ug2 s LYS 68 CO 0.00 0.35 0.74 0.95 0.16 0.00 0.00 175.35 177.55 1ug2 s THR 69 N -1.50 4.65 -0.48 3.43 -4.23 -1.26 -4.22 115.64 112.02 1ug2 s THR 69 Ca 0.47 -0.07 0.26 0.00 -1.18 0.00 0.00 61.69 61.18 1ug2 s THR 69 Cb -0.20 -3.75 0.30 0.00 1.34 0.00 0.00 72.50 70.18 1ug2 s THR 69 CO 0.26 -0.66 1.76 1.55 -0.54 0.00 0.00 174.62 176.98 1ug2 h PRO 70 N 0.30 0.00 0.00 3.99 0.13 -1.90 -2.35 132.00 132.18 1ug2 h PRO 70 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1ug2 h PRO 70 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1ug2 h PRO 70 CO 0.61 0.00 -1.14 -0.24 -0.23 0.00 0.00 178.00 177.00 1ug2 h VAL 71 N 0.00 1.55 0.03 1.56 3.04 -1.93 -3.27 116.25 117.22 1ug2 h VAL 71 Ca 0.00 -3.28 -0.08 0.00 -1.01 0.00 0.00 66.70 62.33 1ug2 h VAL 71 Cb 0.61 2.77 0.01 0.00 -2.01 0.00 0.00 31.29 32.67 1ug2 h VAL 71 CO 0.00 0.89 -0.33 -0.33 -1.01 0.00 0.00 177.57 176.78 1ug2 h GLU 72 N 0.00 0.18 -1.14 4.17 4.39 -1.90 -2.47 114.58 117.82 1ug2 h GLU 72 Ca -0.06 -0.23 0.33 0.00 0.34 0.00 0.00 59.36 59.73 1ug2 h GLU 72 Cb 1.82 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 30.44 1ug2 h GLU 72 CO 0.12 1.01 0.74 0.28 -1.16 0.00 0.00 179.01 180.00 1ug2 h VAL 73 N -0.56 0.38 0.03 3.13 2.07 -1.54 1.57 116.25 121.33 1ug2 h VAL 73 Ca -0.05 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 1ug2 h VAL 73 Cb 1.15 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1ug2 h VAL 73 CO 0.06 0.05 -0.53 -1.28 0.02 0.00 0.00 177.57 175.90 1ug2 h SER 74 N 0.27 0.41 -0.41 0.57 0.87 -1.61 -0.45 113.55 113.20 1ug2 h SER 74 Ca 0.67 -0.82 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1ug2 h SER 74 Cb 1.90 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.71 1ug2 h SER 74 CO -0.33 1.18 0.19 0.45 -0.53 0.00 0.00 176.83 177.80 1ug2 h HIS 75 N -0.31 0.64 -0.05 2.24 -0.00 0.35 -0.47 115.15 117.55 1ug2 h HIS 75 Ca -0.07 -0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 60.10 1ug2 h HIS 75 Cb 1.29 -0.20 0.01 0.00 -0.00 0.00 0.00 27.41 28.51 1ug2 h HIS 75 CO 0.17 0.49 -0.67 -0.09 -0.00 0.00 0.00 177.93 177.84 1ug2 h ARG 76 N 0.64 0.54 0.09 2.45 9.65 0.19 -2.84 114.38 125.10 1ug2 h ARG 76 Ca 0.16 -0.51 0.01 0.00 -1.10 0.00 0.00 59.98 58.54 1ug2 h ARG 76 Cb 0.11 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1ug2 h ARG 76 CO -0.02 1.14 -0.14 0.35 2.80 0.00 0.00 179.97 184.10 1ug2 h PHE 77 N 0.12 -0.37 0.00 2.20 3.57 -0.59 0.45 116.94 122.31 1ug2 h PHE 77 Ca -0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1ug2 h PHE 77 Cb 1.34 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.24 1ug2 h PHE 77 CO 0.12 -0.22 -0.01 0.07 -2.23 0.00 0.00 178.31 176.05 1ug2 h ARG 78 N -0.29 0.00 0.19 1.11 -0.00 -1.19 -1.48 114.38 112.73 1ug2 h ARG 78 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.66 1ug2 h ARG 78 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.29 1ug2 h ARG 78 CO -0.08 0.01 -1.67 0.93 -0.00 0.00 0.00 179.97 179.16 1ug2 h GLU 79 N 0.00 0.41 -0.90 0.08 4.39 -0.84 -2.83 114.58 114.90 1ug2 h GLU 79 Ca -0.00 -0.70 0.26 0.00 0.34 0.00 0.00 59.36 59.25 1ug2 h GLU 79 Cb 0.08 0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1ug2 h GLU 79 CO 0.00 1.32 0.64 -0.07 -1.16 0.00 0.00 179.01 179.75 1ug2 h LEU 80 N 0.11 0.03 0.02 1.33 3.38 0.92 1.30 115.31 122.39 1ug2 h LEU 80 Ca -0.31 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.37 1ug2 h LEU 80 Cb 2.11 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.81 1ug2 h LEU 80 CO 0.20 0.01 -1.67 0.24 0.09 0.00 0.00 178.44 177.31 1ug2 h MET 81 N 0.03 0.04 -0.14 1.13 2.86 -1.60 -3.25 114.93 114.00 1ug2 h MET 81 Ca 0.43 -0.06 -0.21 0.00 -2.06 0.00 0.00 59.70 57.79 1ug2 h MET 81 Cb 1.68 0.02 0.01 0.00 0.06 0.00 0.00 31.60 33.37 1ug2 h MET 81 CO -0.02 0.63 -0.77 1.96 1.06 0.00 0.00 176.91 179.77 1ug2 h GLN 82 N 0.01 0.71 0.29 1.72 1.08 0.08 -2.99 115.11 116.00 1ug2 h GLN 82 Ca -0.27 -0.58 -0.01 0.00 -1.45 0.00 0.00 58.65 56.34 1ug2 h GLN 82 Cb 2.00 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.55 1ug2 h GLN 82 CO 0.09 1.19 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.95 1ug2 h LEU 83 N 0.48 -0.33 -0.39 1.46 3.38 0.12 -2.37 115.31 117.67 1ug2 h LEU 83 Ca -0.05 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ug2 h LEU 83 Cb 1.39 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.13 1ug2 h LEU 83 CO 0.15 -0.19 -0.43 -0.26 0.09 0.00 0.00 178.44 177.80 1ug2 h PHE 84 N -0.43 -1.24 -0.24 1.13 0.04 -1.60 -2.00 116.94 112.60 1ug2 h PHE 84 Ca -0.04 0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.83 1ug2 h PHE 84 Cb 0.33 0.60 -0.05 0.00 2.20 0.00 0.00 35.95 39.02 1ug2 h PHE 84 CO -0.04 -0.44 -0.39 1.25 -0.60 0.00 0.00 178.31 178.08 1ug2 h HIS 85 N -0.34 -1.20 -2.87 -0.55 2.76 -1.41 -3.40 115.15 108.14 1ug2 h HIS 85 Ca 0.13 0.06 -0.30 0.00 -2.20 0.00 0.00 60.37 58.06 1ug2 h HIS 85 Cb 0.58 0.55 -0.35 0.00 1.55 0.00 0.00 27.41 29.74 1ug2 h HIS 85 CO -0.61 -0.36 -0.62 0.99 -1.30 0.00 0.00 177.93 176.03 1ug2 s THR 86 N -4.88 -0.30 0.23 6.26 2.01 -0.81 -5.01 115.64 113.15 1ug2 s THR 86 Ca -0.10 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.06 1ug2 s THR 86 Cb 0.06 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1ug2 s THR 86 CO 0.43 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.37 1ug2 n ALA 87 N 5.33 3.00 -2.99 7.40 0.00 -0.82 -4.39 120.51 128.03 1ug2 n ALA 87 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1ug2 n ALA 87 Cb 0.50 0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1ug2 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug2 s GLU 89 N -1.88 2.80 -0.47 0.00 2.02 -1.26 -5.03 118.70 114.89 1ug2 s GLU 89 Ca 0.13 -1.06 0.03 0.00 0.02 0.00 0.00 54.97 54.08 1ug2 s GLU 89 Cb -0.02 -3.48 0.14 0.00 0.10 0.00 0.00 34.13 30.86 1ug2 s GLU 89 CO 0.62 -0.60 0.26 -1.12 0.02 0.00 0.00 175.26 174.44 1ug2 s SER 90 N 1.46 3.79 -0.99 -0.19 0.01 -1.26 -4.96 113.70 111.55 1ug2 s SER 90 Ca 0.00 -2.77 -0.31 0.00 1.31 0.00 0.00 55.95 54.19 1ug2 s SER 90 Cb -0.19 -1.17 -0.22 0.00 0.21 0.00 0.00 66.02 64.65 1ug2 s SER 90 CO 0.03 -0.25 2.67 0.61 0.41 0.00 0.00 173.24 176.72 1ug2 n GLY 91 N 3.37 -0.49 2.37 3.44 0.00 -1.26 -4.70 105.19 107.92 1ug2 n GLY 91 Ca 0.09 1.14 -0.23 0.00 0.00 0.00 0.00 46.02 47.02 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 8.40 2.39 0.00 1.61 -0.04 -1.26 -4.49 135.00 141.62 1ug2 n PRO 92 Ca 0.65 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1ug2 n PRO 92 Cb 0.03 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1ug2 n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ug2 n SER 93 N 3.53 0.00 -4.73 3.54 7.64 -1.26 -5.14 113.62 117.19 1ug2 n SER 93 Ca 0.51 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.98 1ug2 n SER 93 Cb 0.33 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 1ug2 n SER 93 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ug2 s SER 94 N 0.00 6.87 0.00 6.43 1.04 -1.26 -5.23 113.70 121.54 1ug2 s SER 94 Ca 0.00 2.41 0.28 0.00 0.48 0.00 0.00 55.95 59.12 1ug2 s SER 94 Cb 0.00 -2.61 1.08 0.00 0.10 0.00 0.00 66.02 64.60 1ug2 s SER 94 CO 0.00 -0.56 1.76 0.61 0.98 0.00 0.00 173.24 176.03