#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 -0.22 -0.06 1.61 0.01 -1.26 -5.19 113.70 108.59 2cuq s SER 2 Ca 0.00 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.34 2cuq s SER 2 Cb 0.00 0.62 0.11 0.00 0.21 0.00 0.00 66.02 66.96 2cuq s SER 2 CO 0.00 -1.15 0.95 -0.55 0.41 0.00 0.00 173.24 172.90 2cuq s SER 3 N -2.92 -0.34 0.00 2.44 0.15 -1.26 -5.10 113.70 106.68 2cuq s SER 3 Ca 0.13 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2cuq s SER 3 Cb -0.02 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2cuq s SER 3 CO 0.02 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2cuq n GLY 4 N -0.02 0.61 2.97 9.45 0.00 -1.26 -5.15 105.19 111.79 2cuq n GLY 4 Ca -0.08 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 2cuq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cuq s SER 5 N 0.00 2.30 -0.29 1.61 0.15 -1.26 -5.10 113.70 111.10 2cuq s SER 5 Ca 0.00 -0.37 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 2cuq s SER 5 Cb 0.00 -0.96 0.15 0.00 -1.71 0.00 0.00 66.02 63.50 2cuq s SER 5 CO 0.00 -0.07 0.93 -0.55 1.20 0.00 0.00 173.24 174.75 2cuq s SER 6 N 1.43 -0.63 0.00 5.45 0.15 -1.26 -5.10 113.70 113.75 2cuq s SER 6 Ca 0.01 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.59 2cuq s SER 6 Cb -0.13 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 2cuq s SER 6 CO -0.07 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2cuq n GLY 7 N 4.43 -0.13 3.68 9.45 0.00 -1.26 -5.17 105.19 116.20 2cuq n GLY 7 Ca -0.14 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.53 -0.23 1.61 0.04 -1.26 -5.03 135.00 130.65 2cuq s PRO 8 Ca 0.00 0.56 -0.08 0.00 0.04 0.00 0.00 61.00 61.53 2cuq s PRO 8 Cb 0.00 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 2cuq s PRO 8 CO 0.00 -2.68 0.08 0.00 0.04 0.00 0.00 177.00 174.44 2cuq s TYR 10 N 1.22 3.33 0.18 0.00 1.13 -1.26 -5.07 117.35 116.88 2cuq s TYR 10 Ca 0.05 1.53 0.04 0.00 -1.41 0.00 0.00 57.07 57.28 2cuq s TYR 10 Cb -0.14 -2.79 -0.04 0.00 -1.10 0.00 0.00 41.96 37.89 2cuq s TYR 10 CO 0.04 -0.08 0.23 -2.00 -2.51 0.00 0.00 175.55 171.23 2cuq s GLU 11 N -3.18 3.19 0.00 -3.49 2.12 -1.26 -4.99 118.70 111.09 2cuq s GLU 11 Ca 0.60 -0.78 -0.04 0.00 0.36 0.00 0.00 54.97 55.11 2cuq s GLU 11 Cb -0.09 -2.79 -0.18 0.00 0.26 0.00 0.00 34.13 31.33 2cuq s GLU 11 CO 0.15 0.48 2.81 0.09 -0.54 0.00 0.00 175.26 178.24 2cuq n ASN 12 N -0.71 4.32 -4.57 -1.70 4.13 -1.26 -4.81 115.26 110.66 2cuq n ASN 12 Ca -0.08 -2.28 -0.34 0.00 1.68 0.00 0.00 54.58 53.57 2cuq n ASN 12 Cb 0.55 -1.12 -0.04 0.00 -1.54 0.00 0.00 39.78 37.63 2cuq n ASN 12 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2cuq s LYS 13 N 1.18 3.06 -0.01 3.52 -0.14 -1.26 -4.62 119.74 121.46 2cuq s LYS 13 Ca 0.45 -1.11 0.21 0.00 -1.36 0.00 0.00 55.97 54.16 2cuq s LYS 13 Cb 0.22 -5.28 -0.27 0.00 -1.68 0.00 0.00 37.83 30.81 2cuq s LYS 13 CO 0.00 -3.09 0.68 1.19 -0.76 0.00 0.00 175.35 173.37 2cuq n PHE 14 N 11.86 0.00 -3.58 3.18 3.01 -1.26 -5.00 117.46 125.67 2cuq n PHE 14 Ca 0.42 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.79 2cuq n PHE 14 Cb 0.47 -0.22 -0.05 0.00 -0.01 0.00 0.00 39.48 39.68 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 -3.17 -1.95 0.86 4.37 0.00 -1.26 -5.13 121.76 115.49 2cuq s ALA 15 Ca 0.01 1.57 -0.11 0.00 0.00 0.00 0.00 51.96 53.43 2cuq s ALA 15 Cb 0.14 -0.68 0.11 0.00 0.00 0.00 0.00 23.12 22.70 2cuq s ALA 15 CO 0.85 -0.34 1.09 -1.25 0.00 0.00 0.00 175.76 176.11 2cuq s PRO 16 N -1.31 1.54 -0.01 0.00 0.04 -1.26 -4.83 135.00 129.16 2cuq s PRO 16 Ca 0.00 0.91 0.02 0.00 0.04 0.00 0.00 61.00 61.98 2cuq s PRO 16 Cb -0.01 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.70 2cuq s PRO 16 CO -0.00 -2.07 -0.08 1.03 0.04 0.00 0.00 177.00 175.91 2cuq s ARG 17 N -4.93 0.76 -0.09 4.56 0.52 -1.26 -1.57 118.95 116.94 2cuq s ARG 17 Ca 0.63 -0.29 -0.40 0.00 -0.52 0.00 0.00 55.73 55.15 2cuq s ARG 17 Cb -0.18 -0.73 -0.18 0.00 0.52 0.00 0.00 34.95 34.39 2cuq s ARG 17 CO 0.57 0.15 1.34 0.00 0.02 0.00 0.00 175.30 177.38 2cuq h ALA 19 N 4.48 1.00 0.00 0.00 0.00 -0.06 2.04 119.26 126.71 2cuq h ALA 19 Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2cuq h ALA 19 Cb 1.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2cuq h ALA 19 CO 0.79 0.00 -0.76 -2.13 0.00 0.00 0.00 179.25 177.15 2cuq n ARG 20 N -2.48 0.48 0.00 0.00 3.00 -1.26 -4.69 116.66 111.72 2cuq n ARG 20 Ca -0.01 0.48 -0.22 0.00 -0.00 0.00 0.00 57.85 58.11 2cuq n ARG 20 Cb 0.11 -1.66 -0.14 0.00 0.00 0.00 0.00 32.46 30.78 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 -3.57 -3.46 0.00 0.00 2.88 0.69 -4.93 113.62 105.23 2cuq n SER 22 Ca -0.31 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 2cuq n SER 22 Cb 1.02 -3.18 0.00 0.00 -0.75 0.00 0.00 64.21 61.30 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 -3.01 0.00 -3.57 -1.46 5.02 -1.26 -4.78 118.16 109.11 2cuq n LYS 23 Ca -0.07 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 2cuq n LYS 23 Cb 0.56 -0.36 -0.05 0.00 -0.02 0.00 0.00 35.03 35.16 2cuq n LYS 23 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2cuq s THR 24 N -0.50 0.00 -0.47 -0.18 -4.23 -1.26 -4.86 115.64 104.14 2cuq s THR 24 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 2cuq s THR 24 Cb 0.00 -1.00 0.21 0.00 1.34 0.00 0.00 72.50 73.05 2cuq s THR 24 CO 0.00 0.00 0.48 0.18 -0.54 0.00 0.00 174.62 174.74 2cuq n LEU 25 N 0.64 0.75 -4.38 4.79 4.77 -0.61 -4.59 117.00 118.37 2cuq n LEU 25 Ca -0.11 -4.74 -0.29 0.00 -0.03 0.00 0.00 56.01 50.84 2cuq n LEU 25 Cb 0.58 0.27 0.28 0.00 -2.33 0.00 0.00 43.42 42.21 2cuq n LEU 25 CO 0.16 1.96 0.45 0.42 -1.33 0.00 0.00 177.39 179.05 2cuq s THR 26 N -0.95 1.63 -0.36 -5.08 -4.23 -1.26 -4.57 115.64 100.81 2cuq s THR 26 Ca 0.34 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.57 2cuq s THR 26 Cb 0.10 -2.04 -0.13 0.00 1.34 0.00 0.00 72.50 71.77 2cuq s THR 26 CO -0.14 0.00 1.45 0.00 -0.54 0.00 0.00 174.62 175.39 2cuq n GLN 27 N -5.33 0.00 0.00 3.99 0.00 -1.26 -4.22 117.38 110.57 2cuq n GLN 27 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.07 2cuq n GLN 27 Cb 0.57 -0.99 0.00 0.00 0.00 0.00 0.00 30.24 29.82 2cuq n GLN 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cuq n GLY 28 N 4.88 1.08 3.77 2.61 0.00 -1.26 -5.18 105.19 111.09 2cuq n GLY 28 Ca 0.37 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 2cuq n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cuq s GLY 29 N 0.00 0.30 0.39 -0.02 0.00 -1.26 -4.94 107.32 101.80 2cuq s GLY 29 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.10 2cuq s GLY 29 CO 0.00 -0.32 0.07 -1.34 0.00 0.00 0.00 173.10 171.51 2cuq s VAL 30 N -3.22 1.03 -0.06 1.40 -7.23 -1.20 -5.01 120.40 106.12 2cuq s VAL 30 Ca 0.16 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2cuq s VAL 30 Cb -0.05 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.38 2cuq s VAL 30 CO 0.10 0.00 0.11 0.28 -0.31 0.00 0.00 175.10 175.28 2cuq s THR 31 N -3.15 -0.15 -0.16 5.32 -1.32 -1.26 -1.20 115.64 113.72 2cuq s THR 31 Ca 0.27 0.33 0.01 0.00 -1.21 0.00 0.00 61.69 61.09 2cuq s THR 31 Cb 0.05 -0.21 0.01 0.00 -1.51 0.00 0.00 72.50 70.84 2cuq s THR 31 CO 0.13 0.14 -0.17 -0.47 -2.21 0.00 0.00 174.62 172.04 2cuq s TYR 32 N 1.89 2.76 -1.02 9.09 5.04 0.38 -4.68 117.35 130.81 2cuq s TYR 32 Ca -0.00 -1.24 -0.02 0.00 -2.44 0.00 0.00 57.07 53.36 2cuq s TYR 32 Cb -0.12 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.30 2cuq s TYR 32 CO -0.05 -0.59 0.87 0.54 -1.34 0.00 0.00 175.55 174.98 2cuq n ARG 33 N 4.23 -5.77 -2.90 4.97 1.74 -1.26 -2.43 116.66 115.24 2cuq n ARG 33 Ca -0.20 0.69 -0.22 0.00 -0.77 0.00 0.00 57.85 57.35 2cuq n ARG 33 Cb 0.51 -5.26 0.02 0.00 -1.02 0.00 0.00 32.46 26.72 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 -2.57 -5.91 -3.81 0.55 2.03 -1.26 -4.98 116.55 100.60 2cuq n ASP 34 Ca -0.16 -0.22 -0.12 0.00 0.52 0.00 0.00 54.79 54.80 2cuq n ASP 34 Cb 0.61 -4.81 -0.11 0.00 -0.72 0.00 0.00 41.12 36.09 2cuq n ASP 34 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2cuq s GLN 35 N -5.57 0.41 0.11 -0.67 -1.52 -1.02 -5.14 119.66 106.26 2cuq s GLN 35 Ca 0.24 0.02 -0.31 0.00 -1.95 0.00 0.00 55.36 53.36 2cuq s GLN 35 Cb -0.11 0.18 -0.08 0.00 -0.22 0.00 0.00 33.01 32.79 2cuq s GLN 35 CO 0.30 -0.08 1.36 -1.25 -0.25 0.00 0.00 175.29 175.36 2cuq s PRO 36 N -0.57 4.34 0.09 2.91 0.04 -1.26 0.14 135.00 140.68 2cuq s PRO 36 Ca -0.07 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.05 2cuq s PRO 36 Cb -0.04 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 2cuq s PRO 36 CO 0.01 -0.40 -0.11 -1.58 0.04 0.00 0.00 177.00 174.96 2cuq s TRP 37 N 1.05 1.09 -0.29 0.56 0.52 -0.34 0.72 118.94 122.25 2cuq s TRP 37 Ca 0.63 -0.57 -0.27 0.00 0.02 0.00 0.00 56.10 55.91 2cuq s TRP 37 Cb -0.36 -0.60 0.01 0.00 -1.15 0.00 0.00 33.47 31.37 2cuq s TRP 37 CO 0.30 0.02 0.98 -1.01 0.02 0.00 0.00 176.95 177.27 2cuq s HIS 38 N -1.96 3.21 0.24 -1.98 3.76 -1.26 -3.22 115.29 114.09 2cuq s HIS 38 Ca 0.02 1.16 0.06 0.00 -0.15 0.00 0.00 55.06 56.15 2cuq s HIS 38 Cb -0.06 -3.45 0.71 0.00 1.11 0.00 0.00 32.58 30.89 2cuq s HIS 38 CO 0.01 -0.63 1.14 0.54 -0.85 0.00 0.00 174.74 174.95 2cuq n ARG 39 N 6.54 -0.05 -0.03 1.40 3.00 -1.26 0.13 116.66 126.39 2cuq n ARG 39 Ca 0.10 1.06 -0.13 0.00 -0.01 0.00 0.00 57.85 58.86 2cuq n ARG 39 Cb 0.47 -1.76 -0.10 0.00 0.00 0.00 0.00 32.46 31.07 2cuq n ARG 39 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 2cuq h GLU 40 N 0.00 0.04 0.18 5.56 4.11 -2.01 -3.31 114.58 119.15 2cuq h GLU 40 Ca 0.50 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.92 2cuq h GLU 40 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2cuq h GLU 40 CO -0.64 0.60 -0.22 0.00 0.07 0.00 0.00 179.01 178.82 2cuq n LEU 42 N -5.35 1.09 -3.84 0.00 7.94 0.12 -4.86 117.00 112.10 2cuq n LEU 42 Ca -0.08 -0.41 -0.11 0.00 -1.11 0.00 0.00 56.01 54.30 2cuq n LEU 42 Cb 0.26 -1.24 -0.09 0.00 0.53 0.00 0.00 43.42 42.88 2cuq n LEU 42 CO 0.29 -1.41 -0.11 0.68 -1.11 0.00 0.00 177.39 175.73 2cuq s VAL 43 N 10.03 0.09 0.45 1.96 -7.23 -1.26 -3.07 120.40 121.38 2cuq s VAL 43 Ca 1.15 -0.72 -0.23 0.00 -1.81 0.00 0.00 61.98 60.36 2cuq s VAL 43 Cb -0.63 -0.63 -0.10 0.00 0.56 0.00 0.00 36.38 35.58 2cuq s VAL 43 CO 0.35 -0.40 0.97 0.00 -0.31 0.00 0.00 175.10 175.71 2cuq n THR 45 N -0.72 1.28 0.05 0.00 -1.04 -0.75 -2.37 114.28 110.74 2cuq n THR 45 Ca 0.10 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 2cuq n THR 45 Cb 0.41 -0.41 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 0.28 -0.09 0.03 3.41 0.00 -1.26 -4.88 105.19 102.67 2cuq n GLY 46 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.35 -4.89 -4.27 0.00 1.13 -1.00 -4.97 117.38 102.03 2cuq n GLN 48 Ca 0.04 0.61 -0.35 0.00 -1.94 0.00 0.00 57.00 55.35 2cuq n GLN 48 Cb 0.29 -4.91 -0.09 0.00 0.11 0.00 0.00 30.24 25.64 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 -3.25 4.51 -0.28 5.09 -1.32 -1.26 -4.71 115.64 114.43 2cuq s THR 49 Ca 0.07 -0.23 -0.29 0.00 -1.21 0.00 0.00 61.69 60.03 2cuq s THR 49 Cb -0.03 -2.94 -0.02 0.00 -1.51 0.00 0.00 72.50 68.01 2cuq s THR 49 CO 0.52 0.56 1.65 -2.16 -2.21 0.00 0.00 174.62 172.98 2cuq s PRO 50 N -1.05 3.62 -0.11 7.08 0.04 -1.26 -0.20 135.00 143.11 2cuq s PRO 50 Ca 0.15 1.50 0.13 0.00 0.04 0.00 0.00 61.00 62.82 2cuq s PRO 50 Cb -0.11 -4.08 0.58 0.00 0.04 0.00 0.00 34.50 30.92 2cuq s PRO 50 CO 0.04 -1.50 1.44 1.28 0.04 0.00 0.00 177.00 178.31 2cuq n LEU 51 N 9.07 4.05 -4.51 -3.56 4.77 -1.17 -4.90 117.00 120.75 2cuq n LEU 51 Ca 0.20 -2.05 -0.40 0.00 -0.03 0.00 0.00 56.01 53.73 2cuq n LEU 51 Cb 0.46 -0.55 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 2cuq n LEU 51 CO 0.67 0.62 2.17 0.00 -1.33 0.00 0.00 177.39 179.52 2cuq n ALA 52 N 0.74 0.42 -3.15 -1.18 0.00 -1.26 0.59 120.51 116.67 2cuq n ALA 52 Ca 0.20 -0.44 -0.18 0.00 0.00 0.00 0.00 53.44 53.02 2cuq n ALA 52 Cb 0.80 -2.51 0.05 0.00 0.00 0.00 0.00 19.45 17.78 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 6.39 -0.25 3.51 0.00 0.00 -1.26 -5.02 105.19 108.56 2cuq n GLY 53 Ca 0.58 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 46.35 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 -5.79 1.83 -0.47 1.61 0.74 0.20 -5.08 119.66 112.70 2cuq s GLN 54 Ca 0.37 -1.43 -0.28 0.00 0.05 0.00 0.00 55.36 54.07 2cuq s GLN 54 Cb -0.16 -2.00 0.01 0.00 1.10 0.00 0.00 33.01 31.95 2cuq s GLN 54 CO 0.46 0.41 1.46 -1.14 -0.55 0.00 0.00 175.29 175.92 2cuq s GLN 55 N -2.90 3.41 0.35 1.67 0.74 -1.26 -4.95 119.66 116.72 2cuq s GLN 55 Ca 0.24 0.77 -0.03 0.00 0.05 0.00 0.00 55.36 56.39 2cuq s GLN 55 Cb -0.08 -4.09 0.00 0.00 1.10 0.00 0.00 33.01 29.95 2cuq s GLN 55 CO 0.13 -1.78 0.49 -0.59 -0.55 0.00 0.00 175.29 172.99 2cuq s PHE 56 N 5.93 1.03 0.05 1.67 -0.12 -1.26 -4.22 117.98 121.06 2cuq s PHE 56 Ca 0.59 -1.27 0.02 0.00 -0.05 0.00 0.00 56.93 56.22 2cuq s PHE 56 Cb -0.13 -0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.19 2cuq s PHE 56 CO 0.29 -1.15 -0.08 -0.08 -0.05 0.00 0.00 175.22 174.15 2cuq s THR 57 N -3.02 0.61 0.04 -4.49 -1.32 -0.41 -4.96 115.64 102.09 2cuq s THR 57 Ca 0.30 -1.21 0.01 0.00 -1.21 0.00 0.00 61.69 59.58 2cuq s THR 57 Cb -0.01 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 2cuq s THR 57 CO 0.20 -0.43 0.08 -0.94 -2.21 0.00 0.00 174.62 171.32 2cuq s SER 58 N -1.78 5.59 -0.03 8.08 1.04 -1.26 -0.22 113.70 125.12 2cuq s SER 58 Ca -0.06 0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 2cuq s SER 58 Cb -0.08 -1.55 0.03 0.00 0.10 0.00 0.00 66.02 64.52 2cuq s SER 58 CO -0.00 0.22 0.06 -0.60 0.98 0.00 0.00 173.24 173.90 2cuq s ARG 59 N -2.05 -0.02 -1.55 4.02 6.06 0.84 -4.85 118.95 121.39 2cuq s ARG 59 Ca 0.26 0.24 -0.14 0.00 -2.50 0.00 0.00 55.73 53.59 2cuq s ARG 59 Cb -0.12 -0.26 0.09 0.00 0.06 0.00 0.00 34.95 34.73 2cuq s ARG 59 CO 0.18 -0.18 0.96 -0.25 -2.50 0.00 0.00 175.30 173.50 2cuq n ASP 60 N 4.29 -4.55 -2.59 -2.12 8.00 -1.26 -1.35 116.55 116.97 2cuq n ASP 60 Ca -0.26 -0.81 -0.13 0.00 0.71 0.00 0.00 54.79 54.30 2cuq n ASP 60 Cb 0.50 -3.75 0.06 0.00 -0.02 0.00 0.00 41.12 37.91 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 -4.65 -4.84 -3.67 -1.24 1.02 -1.26 -5.03 120.64 100.97 2cuq n GLU 61 Ca 0.04 0.56 -0.10 0.00 -0.02 0.00 0.00 57.16 57.64 2cuq n GLU 61 Cb 0.52 -4.75 -0.11 0.00 -0.02 0.00 0.00 31.44 27.09 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 -3.58 -0.21 -0.18 1.62 1.11 -0.46 -5.13 116.67 109.84 2cuq s ASP 62 Ca 0.18 0.89 -0.29 0.00 0.18 0.00 0.00 52.55 53.51 2cuq s ASP 62 Cb -0.08 1.07 -0.03 0.00 1.07 0.00 0.00 42.92 44.95 2cuq s ASP 62 CO 0.49 -0.22 1.58 -2.16 1.18 0.00 0.00 175.17 176.04 2cuq s PRO 63 N 2.25 3.91 -0.07 8.23 0.04 -1.26 -0.12 135.00 147.99 2cuq s PRO 63 Ca -0.03 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.80 2cuq s PRO 63 Cb -0.11 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2cuq s PRO 63 CO -0.12 -1.15 -0.19 0.71 0.04 0.00 0.00 177.00 176.29 2cuq s TYR 64 N 4.80 1.99 0.63 0.56 2.02 0.69 -1.81 117.35 126.23 2cuq s TYR 64 Ca 0.70 -0.69 -0.15 0.00 -0.37 0.00 0.00 57.07 56.56 2cuq s TYR 64 Cb -0.26 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 2cuq s TYR 64 CO 0.28 -0.27 1.07 0.00 -1.57 0.00 0.00 175.55 175.06 2cuq h VAL 66 N 0.15 0.66 -0.61 0.00 2.07 -1.92 0.45 116.25 117.06 2cuq h VAL 66 Ca -0.46 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 66.85 2cuq h VAL 66 Cb 1.23 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2cuq h VAL 66 CO 0.56 0.12 0.40 0.00 0.02 0.00 0.00 177.57 178.67 2cuq h ALA 67 N 1.64 1.59 0.04 1.67 0.00 -1.93 -1.49 119.26 120.79 2cuq h ALA 67 Ca 0.57 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.26 2cuq h ALA 67 Cb 1.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2cuq h ALA 67 CO -0.35 0.37 -0.97 0.00 0.00 0.00 0.00 179.25 178.31 2cuq h PHE 69 N -0.74 -0.33 -0.46 0.00 3.57 -0.18 0.45 116.94 119.25 2cuq h PHE 69 Ca -0.24 0.05 -0.22 0.00 3.53 0.00 0.00 57.97 61.10 2cuq h PHE 69 Cb 1.39 0.23 -0.13 0.00 2.79 0.00 0.00 35.95 40.23 2cuq h PHE 69 CO 0.16 -0.24 0.28 0.41 -2.23 0.00 0.00 178.31 176.68 2cuq n GLY 70 N -1.38 3.08 0.00 2.40 0.00 -0.57 -2.79 105.19 105.93 2cuq n GLY 70 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.22 0.32 -0.04 1.61 4.07 0.67 -4.68 120.64 122.37 2cuq n GLU 71 Ca 0.27 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.34 2cuq n GLU 71 Cb 1.03 -0.62 -0.01 0.00 -0.06 0.00 0.00 31.44 31.77 2cuq n GLU 71 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2cuq n LEU 72 N -1.47 1.13 -0.05 4.31 4.32 0.13 -4.57 117.00 120.79 2cuq n LEU 72 Ca 0.00 0.50 -0.15 0.00 -0.02 0.00 0.00 56.01 56.34 2cuq n LEU 72 Cb 0.12 -0.74 -0.07 0.00 -1.62 0.00 0.00 43.42 41.12 2cuq n LEU 72 CO 0.00 -0.49 0.45 -0.26 -1.22 0.00 0.00 177.39 175.87 2cuq h PHE 73 N -0.63 0.74 -1.67 -1.77 0.04 -1.73 -3.37 116.94 108.55 2cuq h PHE 73 Ca 0.00 -0.28 -0.70 0.00 2.80 0.00 0.00 57.97 59.79 2cuq h PHE 73 Cb 0.31 -0.13 -0.14 0.00 2.20 0.00 0.00 35.95 38.19 2cuq h PHE 73 CO -0.14 1.03 1.61 0.00 -0.60 0.00 0.00 178.31 180.22 2cuq s ALA 74 N -3.96 3.62 -0.29 2.45 0.00 -1.12 -4.87 121.76 117.59 2cuq s ALA 74 Ca -0.13 -3.08 -0.25 0.00 0.00 0.00 0.00 51.96 48.50 2cuq s ALA 74 Cb 0.07 -4.33 0.17 0.00 0.00 0.00 0.00 23.12 19.02 2cuq s ALA 74 CO 0.82 -3.03 1.29 0.45 0.00 0.00 0.00 175.76 175.29 2cuq s SER 75 N 3.53 -0.20 0.00 0.00 0.15 -1.26 -4.00 113.70 111.92 2cuq s SER 75 Ca 0.46 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2cuq s SER 75 Cb -0.00 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2cuq s SER 75 CO 0.01 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2cuq n GLY 76 N 1.77 -1.77 0.32 9.45 0.00 -1.26 -5.00 105.19 108.70 2cuq n GLY 76 Ca -0.11 1.02 0.00 0.00 0.00 0.00 0.00 46.02 46.94 2cuq n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuq n PRO 77 N 0.00 0.49 -0.74 1.61 -0.04 -1.26 -4.30 135.00 130.76 2cuq n PRO 77 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2cuq n PRO 77 Cb 0.00 -1.16 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 2cuq n PRO 77 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cuq n SER 78 N -0.01 4.26 -0.08 3.54 3.41 -1.26 -4.59 113.62 118.89 2cuq n SER 78 Ca 0.00 -2.27 -0.11 0.00 -0.26 0.00 0.00 58.87 56.24 2cuq n SER 78 Cb 0.08 -1.11 -0.05 0.00 -0.26 0.00 0.00 64.21 62.87 2cuq n SER 78 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2cuq h SER 79 N 3.22 -1.36 0.00 4.04 0.87 -2.05 -3.57 113.55 114.70 2cuq h SER 79 Ca 0.13 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2cuq h SER 79 Cb 1.16 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 2cuq h SER 79 CO 0.23 -0.39 0.00 0.61 -0.53 0.00 0.00 176.83 176.76