#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuq s SER 2 N 0.00 0.64 -0.03 1.61 0.15 -1.26 -5.15 113.70 109.66 2cuq s SER 2 Ca 0.00 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.42 2cuq s SER 2 Cb 0.00 -0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.06 2cuq s SER 2 CO 0.00 -0.05 0.33 -0.55 1.20 0.00 0.00 173.24 174.17 2cuq s SER 3 N 0.73 -0.23 0.00 5.45 0.15 -1.26 -5.17 113.70 113.37 2cuq s SER 3 Ca -0.08 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2cuq s SER 3 Cb -0.12 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2cuq s SER 3 CO -0.01 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.63 2cuq n GLY 4 N 1.46 3.11 4.49 9.45 0.00 -1.26 -4.95 105.19 117.50 2cuq n GLY 4 Ca -0.20 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2cuq n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cuq n SER 5 N -0.70 -1.38 -4.05 1.61 3.41 -1.26 -4.90 113.62 106.36 2cuq n SER 5 Ca 0.00 -1.24 -0.08 0.00 -0.26 0.00 0.00 58.87 57.29 2cuq n SER 5 Cb 0.00 -1.67 -0.10 0.00 -0.26 0.00 0.00 64.21 62.18 2cuq n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cuq s SER 6 N -3.47 0.40 0.00 4.04 0.15 -1.26 -5.06 113.70 108.50 2cuq s SER 6 Ca 0.67 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2cuq s SER 6 Cb -0.39 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2cuq s SER 6 CO 1.02 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 175.53 2cuq n GLY 7 N 0.46 0.94 3.61 9.45 0.00 -1.26 -5.14 105.19 113.25 2cuq n GLY 7 Ca -0.16 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 2cuq n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuq s PRO 8 N -0.17 -0.88 -0.38 1.61 0.04 -1.26 -5.04 135.00 128.92 2cuq s PRO 8 Ca 0.00 0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.12 2cuq s PRO 8 Cb 0.00 -1.63 0.11 0.00 0.04 0.00 0.00 34.50 33.03 2cuq s PRO 8 CO 0.00 -3.51 0.14 0.00 0.04 0.00 0.00 177.00 173.68 2cuq s TYR 10 N 0.82 0.71 -0.29 0.00 2.02 -1.26 -5.12 117.35 114.22 2cuq s TYR 10 Ca 0.13 -0.20 -0.14 0.00 -0.37 0.00 0.00 57.07 56.49 2cuq s TYR 10 Cb -0.21 -0.78 0.14 0.00 -0.40 0.00 0.00 41.96 40.71 2cuq s TYR 10 CO -0.10 -0.30 0.86 -2.00 -1.57 0.00 0.00 175.55 172.44 2cuq s GLU 11 N 1.69 0.46 -0.16 -0.62 2.56 -1.26 -5.15 118.70 116.22 2cuq s GLU 11 Ca 0.01 0.96 -0.04 0.00 0.00 0.00 0.00 54.97 55.89 2cuq s GLU 11 Cb -0.13 0.37 0.08 0.00 2.00 0.00 0.00 34.13 36.45 2cuq s GLU 11 CO -0.04 -0.12 0.26 -0.80 -0.56 0.00 0.00 175.26 173.99 2cuq s ASN 12 N 2.06 0.67 -0.50 -1.70 -0.87 -1.26 -5.11 114.94 108.24 2cuq s ASN 12 Ca -0.07 0.29 -0.16 0.00 -1.57 0.00 0.00 52.86 51.36 2cuq s ASN 12 Cb -0.06 0.63 0.09 0.00 -0.02 0.00 0.00 41.25 41.89 2cuq s ASN 12 CO -0.17 -0.27 0.45 -0.54 -2.57 0.00 0.00 177.10 173.99 2cuq s LYS 13 N 2.40 2.99 -0.00 -0.60 1.02 -1.26 -4.83 119.74 119.46 2cuq s LYS 13 Ca 0.04 -1.41 0.07 0.00 0.02 0.00 0.00 55.97 54.69 2cuq s LYS 13 Cb -0.14 -4.18 -0.08 0.00 -0.52 0.00 0.00 37.83 32.92 2cuq s LYS 13 CO -0.10 -1.13 0.26 1.19 -0.92 0.00 0.00 175.35 174.64 2cuq n PHE 14 N 5.31 0.00 -3.49 3.18 3.01 -1.26 -5.05 117.46 119.17 2cuq n PHE 14 Ca -0.12 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.20 2cuq n PHE 14 Cb 0.43 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 2cuq n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cuq s ALA 15 N -1.75 -1.54 0.37 4.37 0.00 -1.26 -5.16 121.76 116.79 2cuq s ALA 15 Ca 0.02 0.65 -0.27 0.00 0.00 0.00 0.00 51.96 52.36 2cuq s ALA 15 Cb 0.05 0.59 -0.09 0.00 0.00 0.00 0.00 23.12 23.67 2cuq s ALA 15 CO 0.27 -0.63 1.20 -1.25 0.00 0.00 0.00 175.76 175.36 2cuq s PRO 16 N -2.97 4.21 0.05 0.00 0.04 -1.26 -4.85 135.00 130.21 2cuq s PRO 16 Ca -0.03 1.95 0.08 0.00 0.04 0.00 0.00 61.00 63.04 2cuq s PRO 16 Cb -0.01 -2.85 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 2cuq s PRO 16 CO -0.06 -0.22 -0.22 1.03 0.04 0.00 0.00 177.00 177.57 2cuq s ARG 17 N -2.04 1.47 -0.09 4.56 0.52 -1.26 -0.77 118.95 121.34 2cuq s ARG 17 Ca 0.53 -1.00 -0.39 0.00 -0.52 0.00 0.00 55.73 54.35 2cuq s ARG 17 Cb -0.34 -1.61 -0.18 0.00 0.52 0.00 0.00 34.95 33.34 2cuq s ARG 17 CO 0.43 0.41 1.40 0.00 0.02 0.00 0.00 175.30 177.57 2cuq n ALA 19 N 3.12 1.27 -0.08 0.00 0.00 0.16 0.25 120.51 125.23 2cuq n ALA 19 Ca 0.22 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.72 2cuq n ALA 19 Cb 0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 2cuq n ALA 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2cuq n ARG 20 N -2.22 0.49 -0.03 0.00 3.00 -1.26 -4.71 116.66 111.93 2cuq n ARG 20 Ca -0.00 0.45 -0.19 0.00 -0.00 0.00 0.00 57.85 58.11 2cuq n ARG 20 Cb 0.11 -1.63 -0.14 0.00 0.00 0.00 0.00 32.46 30.80 2cuq n ARG 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cuq n SER 22 N -3.38 -2.25 0.00 0.00 2.88 0.70 -4.92 113.62 106.65 2cuq n SER 22 Ca -0.34 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 2cuq n SER 22 Cb 1.04 -3.02 0.00 0.00 -0.75 0.00 0.00 64.21 61.48 2cuq n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2cuq n LYS 23 N -2.73 0.00 -3.62 -1.46 4.76 -1.26 -4.76 118.16 109.08 2cuq n LYS 23 Ca -0.14 0.06 -0.06 0.00 -2.87 0.00 0.00 58.31 55.30 2cuq n LYS 23 Cb 0.59 -0.37 -0.05 0.00 -1.84 0.00 0.00 35.03 33.35 2cuq n LYS 23 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2cuq s THR 24 N -0.48 0.00 -0.44 -0.18 -4.23 -1.26 -4.85 115.64 104.21 2cuq s THR 24 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 2cuq s THR 24 Cb 0.00 -1.00 0.15 0.00 1.34 0.00 0.00 72.50 72.99 2cuq s THR 24 CO 0.00 0.00 0.29 -0.76 -0.54 0.00 0.00 174.62 173.61 2cuq s LEU 25 N -0.63 2.04 -0.17 4.79 1.43 0.05 -4.66 118.68 121.52 2cuq s LEU 25 Ca 0.04 -2.79 0.12 0.00 -1.03 0.00 0.00 54.13 50.47 2cuq s LEU 25 Cb -0.02 -0.73 -0.19 0.00 0.03 0.00 0.00 46.19 45.28 2cuq s LEU 25 CO -0.06 -0.23 0.00 0.35 0.23 0.00 0.00 176.35 176.65 2cuq n THR 26 N 3.27 1.15 -1.02 5.49 -2.24 -1.26 -4.51 114.28 115.16 2cuq n THR 26 Ca 0.18 -0.65 -0.14 0.00 -2.27 0.00 0.00 64.05 61.17 2cuq n THR 26 Cb 0.40 -0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 2cuq n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cuq n GLN 27 N -2.72 1.92 0.00 -0.78 6.02 -1.26 -4.91 117.38 115.64 2cuq n GLN 27 Ca -0.29 -1.18 0.00 0.00 -0.01 0.00 0.00 57.00 55.51 2cuq n GLN 27 Cb 1.01 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 30.42 2cuq n GLN 27 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cuq n GLY 28 N 1.84 1.58 1.84 1.08 0.00 -1.26 -4.99 105.19 105.27 2cuq n GLY 28 Ca 0.37 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2cuq n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cuq n GLY 29 N 0.00 -0.98 3.36 -0.02 0.00 -1.26 -4.93 105.19 101.36 2cuq n GLY 29 Ca 0.00 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 2cuq n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cuq s VAL 30 N 0.00 0.00 -0.03 1.61 -7.23 -1.10 -4.90 120.40 108.75 2cuq s VAL 30 Ca 0.00 -1.82 -0.00 0.00 -1.81 0.00 0.00 61.98 58.35 2cuq s VAL 30 Cb 0.00 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.44 2cuq s VAL 30 CO 0.00 0.00 0.03 0.28 -0.31 0.00 0.00 175.10 175.10 2cuq s THR 31 N -3.49 -0.02 -0.17 5.32 -1.32 -1.26 -0.43 115.64 114.27 2cuq s THR 31 Ca 0.36 0.23 0.01 0.00 -1.21 0.00 0.00 61.69 61.07 2cuq s THR 31 Cb 0.02 -0.13 0.01 0.00 -1.51 0.00 0.00 72.50 70.89 2cuq s THR 31 CO 0.21 0.12 -0.19 -0.47 -2.21 0.00 0.00 174.62 172.07 2cuq s TYR 32 N 1.24 2.76 -0.99 9.09 5.04 0.37 -4.74 117.35 130.13 2cuq s TYR 32 Ca -0.07 -1.49 -0.03 0.00 -2.44 0.00 0.00 57.07 53.04 2cuq s TYR 32 Cb -0.13 -1.90 -0.03 0.00 0.35 0.00 0.00 41.96 40.25 2cuq s TYR 32 CO -0.03 -0.72 0.85 0.54 -1.34 0.00 0.00 175.55 174.84 2cuq n ARG 33 N 4.46 -3.93 -3.66 4.97 1.74 -1.26 -2.66 116.66 116.32 2cuq n ARG 33 Ca -0.20 0.76 -0.28 0.00 -0.77 0.00 0.00 57.85 57.36 2cuq n ARG 33 Cb 0.51 -5.40 0.02 0.00 -1.02 0.00 0.00 32.46 26.57 2cuq n ARG 33 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2cuq n ASP 34 N -2.95 -4.63 -3.76 0.55 -0.08 -1.26 -4.96 116.55 99.47 2cuq n ASP 34 Ca -0.16 -0.62 -0.13 0.00 -1.51 0.00 0.00 54.79 52.37 2cuq n ASP 34 Cb 0.63 -3.73 -0.10 0.00 2.34 0.00 0.00 41.12 40.26 2cuq n ASP 34 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2cuq s GLN 35 N -6.35 0.50 0.07 -0.67 -0.21 -1.09 -5.14 119.66 106.77 2cuq s GLN 35 Ca 0.55 0.21 -0.31 0.00 0.02 0.00 0.00 55.36 55.84 2cuq s GLN 35 Cb -0.28 0.23 -0.07 0.00 1.00 0.00 0.00 33.01 33.89 2cuq s GLN 35 CO 0.68 -0.10 1.39 -1.25 -2.12 0.00 0.00 175.29 173.89 2cuq s PRO 36 N -0.40 4.31 0.05 2.91 0.04 -1.26 0.14 135.00 140.79 2cuq s PRO 36 Ca -0.05 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.06 2cuq s PRO 36 Cb -0.03 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 2cuq s PRO 36 CO 0.02 -0.48 -0.12 -1.58 0.04 0.00 0.00 177.00 174.88 2cuq s TRP 37 N 1.59 1.04 -0.16 0.56 0.52 0.43 0.37 118.94 123.29 2cuq s TRP 37 Ca 0.64 -0.43 -0.29 0.00 0.02 0.00 0.00 56.10 56.04 2cuq s TRP 37 Cb -0.35 -0.60 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 2cuq s TRP 37 CO 0.29 0.01 1.28 -1.01 0.02 0.00 0.00 176.95 177.54 2cuq s HIS 38 N -1.15 2.82 0.29 -1.98 3.76 -1.26 -2.69 115.29 115.07 2cuq s HIS 38 Ca -0.03 0.98 0.12 0.00 -0.15 0.00 0.00 55.06 55.98 2cuq s HIS 38 Cb -0.09 -3.52 0.97 0.00 1.11 0.00 0.00 32.58 31.05 2cuq s HIS 38 CO 0.01 -1.78 1.33 0.54 -0.85 0.00 0.00 174.74 173.99 2cuq n ARG 39 N 6.61 -0.06 -0.03 1.40 5.12 -1.26 0.12 116.66 128.56 2cuq n ARG 39 Ca 0.14 1.19 -0.15 0.00 -1.93 0.00 0.00 57.85 57.11 2cuq n ARG 39 Cb 0.45 -2.06 -0.10 0.00 -1.16 0.00 0.00 32.46 29.59 2cuq n ARG 39 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 2cuq h GLU 40 N 0.00 0.24 0.29 5.56 4.11 -2.02 -3.33 114.58 119.44 2cuq h GLU 40 Ca 0.65 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.87 2cuq h GLU 40 Cb 1.61 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 2cuq h GLU 40 CO -0.70 0.85 -0.22 0.00 0.07 0.00 0.00 179.01 179.01 2cuq n LEU 42 N -5.35 0.26 -3.92 0.00 7.94 0.11 -4.84 117.00 111.20 2cuq n LEU 42 Ca -0.09 -0.62 -0.09 0.00 -1.11 0.00 0.00 56.01 54.09 2cuq n LEU 42 Cb 0.26 -1.05 -0.09 0.00 0.53 0.00 0.00 43.42 43.07 2cuq n LEU 42 CO 0.32 -1.60 -0.20 0.68 -1.11 0.00 0.00 177.39 175.47 2cuq s VAL 43 N 7.40 0.14 0.49 1.96 -7.23 -1.26 -3.23 120.40 118.66 2cuq s VAL 43 Ca 1.18 -1.12 -0.22 0.00 -1.81 0.00 0.00 61.98 60.02 2cuq s VAL 43 Cb -0.67 -0.96 -0.09 0.00 0.56 0.00 0.00 36.38 35.23 2cuq s VAL 43 CO 0.39 -0.62 0.92 0.00 -0.31 0.00 0.00 175.10 175.48 2cuq n THR 45 N -1.01 1.49 0.05 0.00 -1.04 -0.54 -2.53 114.28 110.69 2cuq n THR 45 Ca 0.11 -0.74 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 2cuq n THR 45 Cb 0.43 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2cuq n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cuq n GLY 46 N 0.24 -0.11 0.00 3.41 0.00 -1.26 -4.89 105.19 102.59 2cuq n GLY 46 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2cuq n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cuq n GLN 48 N -1.48 -4.17 -4.65 0.00 1.13 -1.05 -4.97 117.38 102.20 2cuq n GLN 48 Ca 0.04 0.69 -0.33 0.00 -1.94 0.00 0.00 57.00 55.45 2cuq n GLN 48 Cb 0.31 -5.13 -0.11 0.00 0.11 0.00 0.00 30.24 25.42 2cuq n GLN 48 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2cuq s THR 49 N -3.30 3.54 -0.35 5.09 -1.32 -1.26 -4.72 115.64 113.32 2cuq s THR 49 Ca 0.12 -0.60 -0.28 0.00 -1.21 0.00 0.00 61.69 59.72 2cuq s THR 49 Cb -0.02 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.51 2cuq s THR 49 CO 0.59 0.55 1.70 -2.16 -2.21 0.00 0.00 174.62 173.09 2cuq s PRO 50 N -0.92 3.40 -0.04 7.08 0.04 -1.26 -0.38 135.00 142.91 2cuq s PRO 50 Ca 0.13 1.30 0.08 0.00 0.04 0.00 0.00 61.00 62.56 2cuq s PRO 50 Cb -0.11 -4.15 0.32 0.00 0.04 0.00 0.00 34.50 30.60 2cuq s PRO 50 CO 0.02 -1.78 1.16 1.28 0.04 0.00 0.00 177.00 177.72 2cuq n LEU 51 N 9.91 2.32 -4.51 -3.56 4.77 -1.20 -4.88 117.00 119.85 2cuq n LEU 51 Ca 0.21 -1.17 -0.39 0.00 -0.03 0.00 0.00 56.01 54.63 2cuq n LEU 51 Cb 0.47 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 2cuq n LEU 51 CO 0.69 0.43 2.17 0.00 -1.33 0.00 0.00 177.39 179.35 2cuq n ALA 52 N 0.38 0.42 -2.98 -1.18 0.00 -1.26 0.84 120.51 116.74 2cuq n ALA 52 Ca 0.11 -0.46 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 2cuq n ALA 52 Cb 0.44 -2.50 0.04 0.00 0.00 0.00 0.00 19.45 17.43 2cuq n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cuq n GLY 53 N 6.36 -0.11 3.48 0.00 0.00 -1.26 -5.02 105.19 108.64 2cuq n GLY 53 Ca 0.59 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 2cuq n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cuq s GLN 54 N -5.57 1.73 -0.50 1.61 0.74 0.25 -5.08 119.66 112.83 2cuq s GLN 54 Ca 0.29 -1.54 -0.28 0.00 0.05 0.00 0.00 55.36 53.88 2cuq s GLN 54 Cb -0.13 -1.91 0.02 0.00 1.10 0.00 0.00 33.01 32.09 2cuq s GLN 54 CO 0.36 0.38 1.36 -1.14 -0.55 0.00 0.00 175.29 175.70 2cuq s GLN 55 N -3.01 3.47 0.36 1.67 0.74 -1.26 -4.96 119.66 116.68 2cuq s GLN 55 Ca 0.25 0.63 -0.00 0.00 0.05 0.00 0.00 55.36 56.28 2cuq s GLN 55 Cb -0.07 -4.05 0.00 0.00 1.10 0.00 0.00 33.01 29.99 2cuq s GLN 55 CO 0.13 -1.71 0.47 -0.59 -0.55 0.00 0.00 175.29 173.04 2cuq s PHE 56 N 5.53 1.23 0.07 1.67 -0.12 -1.26 -4.13 117.98 120.96 2cuq s PHE 56 Ca 0.54 -1.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.02 2cuq s PHE 56 Cb -0.11 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 2cuq s PHE 56 CO 0.29 -1.14 -0.04 -0.08 -0.05 0.00 0.00 175.22 174.19 2cuq s THR 57 N -2.95 0.39 -0.06 -4.49 -1.32 -0.43 -4.95 115.64 101.84 2cuq s THR 57 Ca 0.32 -1.83 -0.01 0.00 -1.21 0.00 0.00 61.69 58.97 2cuq s THR 57 Cb -0.00 -1.54 -0.03 0.00 -1.51 0.00 0.00 72.50 69.41 2cuq s THR 57 CO 0.23 -0.94 0.01 -0.44 -2.21 0.00 0.00 174.62 171.27 2cuq s SER 58 N -2.92 5.23 -0.02 8.08 0.01 -1.26 0.00 113.70 122.83 2cuq s SER 58 Ca 0.08 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2cuq s SER 58 Cb 0.06 -1.44 0.02 0.00 0.21 0.00 0.00 66.02 64.87 2cuq s SER 58 CO -0.08 0.34 0.02 -0.60 0.41 0.00 0.00 173.24 173.34 2cuq s ARG 59 N -1.12 -0.02 -1.52 12.44 6.06 0.65 -4.85 118.95 130.58 2cuq s ARG 59 Ca 0.16 0.14 -0.14 0.00 -2.50 0.00 0.00 55.73 53.39 2cuq s ARG 59 Cb -0.11 -0.20 0.10 0.00 0.06 0.00 0.00 34.95 34.80 2cuq s ARG 59 CO 0.05 -0.13 0.80 -0.25 -2.50 0.00 0.00 175.30 173.28 2cuq n ASP 60 N 3.93 -4.21 -2.72 -2.12 8.00 -1.26 -0.94 116.55 117.23 2cuq n ASP 60 Ca -0.24 -0.73 -0.14 0.00 0.71 0.00 0.00 54.79 54.38 2cuq n ASP 60 Cb 0.52 -3.41 0.06 0.00 -0.02 0.00 0.00 41.12 38.28 2cuq n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2cuq n GLU 61 N -4.35 -5.14 -3.68 -1.24 1.02 -1.26 -5.03 120.64 100.96 2cuq n GLU 61 Ca 0.04 0.60 -0.09 0.00 -0.02 0.00 0.00 57.16 57.68 2cuq n GLU 61 Cb 0.52 -4.90 -0.10 0.00 -0.02 0.00 0.00 31.44 26.94 2cuq n GLU 61 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cuq s ASP 62 N -3.65 -0.56 -0.24 1.62 1.01 -0.11 -5.13 116.67 109.61 2cuq s ASP 62 Ca 0.18 1.05 -0.29 0.00 0.71 0.00 0.00 52.55 54.20 2cuq s ASP 62 Cb -0.08 1.06 -0.02 0.00 1.01 0.00 0.00 42.92 44.88 2cuq s ASP 62 CO 0.52 -0.21 1.62 -2.16 0.21 0.00 0.00 175.17 175.15 2cuq s PRO 63 N 1.75 3.76 -0.07 8.23 0.04 -1.26 -0.26 135.00 147.19 2cuq s PRO 63 Ca -0.08 1.62 0.05 0.00 0.04 0.00 0.00 61.00 62.63 2cuq s PRO 63 Cb -0.09 -4.04 -0.00 0.00 0.04 0.00 0.00 34.50 30.40 2cuq s PRO 63 CO -0.14 -1.34 -0.22 0.71 0.04 0.00 0.00 177.00 176.04 2cuq s TYR 64 N 5.32 2.27 0.52 0.56 2.02 0.10 -1.47 117.35 126.67 2cuq s TYR 64 Ca 0.72 -0.78 -0.18 0.00 -0.37 0.00 0.00 57.07 56.46 2cuq s TYR 64 Cb -0.24 -1.51 -0.07 0.00 -0.40 0.00 0.00 41.96 39.73 2cuq s TYR 64 CO 0.30 -0.28 1.02 0.00 -1.57 0.00 0.00 175.55 175.02 2cuq h VAL 66 N 1.08 0.41 -0.60 0.00 2.07 -1.93 0.71 116.25 117.99 2cuq h VAL 66 Ca -0.48 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2cuq h VAL 66 Cb 1.21 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2cuq h VAL 66 CO 0.59 0.06 0.29 0.00 0.02 0.00 0.00 177.57 178.53 2cuq h ALA 67 N 1.63 1.39 0.05 1.67 0.00 -1.92 -1.93 119.26 120.15 2cuq h ALA 67 Ca 0.66 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 55.28 2cuq h ALA 67 Cb 1.78 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2cuq h ALA 67 CO -0.35 0.48 -0.92 0.00 0.00 0.00 0.00 179.25 178.46 2cuq h PHE 69 N -0.71 -0.19 -0.56 0.00 3.57 -0.43 0.47 116.94 119.08 2cuq h PHE 69 Ca -0.22 0.05 -0.27 0.00 3.53 0.00 0.00 57.97 61.06 2cuq h PHE 69 Cb 1.40 0.18 -0.16 0.00 2.79 0.00 0.00 35.95 40.16 2cuq h PHE 69 CO 0.17 -0.22 0.34 0.41 -2.23 0.00 0.00 178.31 176.78 2cuq n GLY 70 N -1.39 3.35 0.00 2.40 0.00 -0.73 -3.03 105.19 105.78 2cuq n GLY 70 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2cuq n GLY 70 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cuq n GLU 71 N -0.37 0.19 -0.06 1.61 4.07 0.85 -4.67 120.64 122.26 2cuq n GLU 71 Ca 0.33 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.39 2cuq n GLU 71 Cb 1.15 -0.63 -0.01 0.00 -0.06 0.00 0.00 31.44 31.89 2cuq n GLU 71 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2cuq h LEU 72 N 0.00 0.00 -0.18 4.31 4.07 -0.40 -3.35 115.31 119.77 2cuq h LEU 72 Ca 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 2cuq h LEU 72 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2cuq h LEU 72 CO 0.00 0.69 -0.50 -0.26 -1.08 0.00 0.00 178.44 177.29 2cuq h PHE 73 N -0.94 0.85 -0.37 1.13 0.04 -1.72 -3.19 116.94 112.75 2cuq h PHE 73 Ca 0.00 -0.33 -0.24 0.00 2.80 0.00 0.00 57.97 60.19 2cuq h PHE 73 Cb 0.44 -0.15 -0.10 0.00 2.20 0.00 0.00 35.95 38.34 2cuq h PHE 73 CO -0.19 1.12 0.27 0.00 -0.60 0.00 0.00 178.31 178.91 2cuq n ALA 74 N -2.55 4.95 -0.37 2.45 0.00 -1.17 -4.95 120.51 118.87 2cuq n ALA 74 Ca -0.06 -1.30 -0.29 0.00 0.00 0.00 0.00 53.44 51.78 2cuq n ALA 74 Cb 0.60 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 18.96 2cuq n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2cuq n SER 75 N 0.78 -3.03 -4.46 0.00 2.88 -1.21 -4.55 113.62 104.02 2cuq n SER 75 Ca 0.24 -0.52 -0.44 0.00 -1.33 0.00 0.00 58.87 56.82 2cuq n SER 75 Cb 0.57 -1.09 -0.01 0.00 -0.75 0.00 0.00 64.21 62.93 2cuq n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cuq n GLY 76 N 1.59 -1.35 3.65 0.46 0.00 -1.26 -4.83 105.19 103.44 2cuq n GLY 76 Ca 0.07 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2cuq n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuq s PRO 77 N -1.40 4.07 -1.47 1.61 0.04 -1.26 -3.11 135.00 133.48 2cuq s PRO 77 Ca 0.62 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 63.46 2cuq s PRO 77 Cb -0.70 -3.95 0.06 0.00 0.04 0.00 0.00 34.50 29.95 2cuq s PRO 77 CO 0.58 -0.96 0.93 0.43 0.04 0.00 0.00 177.00 178.03 2cuq n SER 78 N 7.43 -4.02 -4.88 6.66 7.64 -1.26 -4.96 113.62 120.22 2cuq n SER 78 Ca 0.17 -0.77 -0.33 0.00 1.01 0.00 0.00 58.87 58.95 2cuq n SER 78 Cb 0.44 -4.00 -0.05 0.00 -1.01 0.00 0.00 64.21 59.59 2cuq n SER 78 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cuq s SER 79 N -3.57 6.57 0.00 6.43 1.04 -1.18 -5.29 113.70 117.70 2cuq s SER 79 Ca 0.50 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2cuq s SER 79 Cb -0.25 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2cuq s SER 79 CO 0.82 0.08 0.11 0.61 0.98 0.00 0.00 173.24 175.84