#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 -0.25 0.89 1.61 1.04 -1.26 -5.17 113.70 110.57 2cuq s SER 2 Ca 0.00 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 2cuq s SER 2 Cb 0.00 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.71 2cuq s SER 2 CO 0.00 -0.83 1.10 -0.44 0.98 0.00 0.00 173.24 174.06 2cuq s SER 3 N -2.80 3.40 -0.05 7.02 0.01 -1.26 -5.02 113.70 115.00 2cuq s SER 3 Ca 0.10 1.84 -0.06 0.00 1.31 0.00 0.00 55.95 59.13 2cuq s SER 3 Cb -0.01 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2cuq s SER 3 CO -0.01 -2.74 0.21 -0.83 0.41 0.00 0.00 173.24 170.27 2cuq s GLY 4 N -3.08 2.21 -0.06 3.44 0.00 -1.26 -5.10 107.32 103.48 2cuq s GLY 4 Ca 0.64 -0.62 0.05 0.00 0.00 0.00 0.00 44.72 44.80 2cuq s GLY 4 CO 0.58 -0.41 -0.23 -0.45 0.00 0.00 0.00 173.10 172.59 2cuq s SER 5 N -1.44 2.83 0.26 1.64 0.15 -1.26 -5.13 113.70 110.74 2cuq s SER 5 Ca 0.22 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.41 2cuq s SER 5 Cb -0.13 -0.83 -0.05 0.00 -1.71 0.00 0.00 66.02 63.31 2cuq s SER 5 CO 0.12 0.21 0.12 -0.55 1.20 0.00 0.00 173.24 174.34 2cuq s SER 6 N -0.06 1.06 -0.58 5.45 0.15 -1.26 -5.10 113.70 113.35 2cuq s SER 6 Ca -0.05 -1.43 0.06 0.00 0.70 0.00 0.00 55.95 55.23 2cuq s SER 6 Cb -0.14 0.27 0.26 0.00 -1.71 0.00 0.00 66.02 64.70 2cuq s SER 6 CO 0.04 -0.80 0.73 0.61 1.20 0.00 0.00 173.24 175.02 2cuq n GLY 7 N -0.45 4.53 3.56 9.45 0.00 -1.26 -5.04 105.19 115.98 2cuq n GLY 7 Ca 0.01 -2.54 -0.27 0.00 0.00 0.00 0.00 46.02 43.22 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 -2.36 2.56 -0.30 1.61 0.04 -1.26 -4.81 135.00 130.47 2cuq s PRO 8 Ca 0.40 -0.37 -0.14 0.00 0.04 0.00 0.00 61.00 60.93 2cuq s PRO 8 Cb 0.17 -5.08 0.17 0.00 0.04 0.00 0.00 34.50 29.81 2cuq s PRO 8 CO -0.04 -3.42 1.03 0.00 0.04 0.00 0.00 177.00 174.61 2cuq s TYR 10 N 2.61 3.72 -0.70 0.00 1.13 -1.26 -4.97 117.35 117.88 2cuq s TYR 10 Ca -0.00 -2.92 -0.02 0.00 -1.41 0.00 0.00 57.07 52.71 2cuq s TYR 10 Cb -0.07 -2.97 0.41 0.00 -1.10 0.00 0.00 41.96 38.22 2cuq s TYR 10 CO -0.15 -0.95 2.05 -1.91 -2.51 0.00 0.00 175.55 172.08 2cuq n GLU 11 N 4.26 2.67 -0.33 -3.49 4.07 -1.26 -4.78 120.64 121.79 2cuq n GLU 11 Ca 0.03 -3.28 -0.03 0.00 -0.06 0.00 0.00 57.16 53.81 2cuq n GLU 11 Cb 0.42 -2.26 -0.00 0.00 -0.06 0.00 0.00 31.44 29.53 2cuq n GLU 11 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2cuq n ASN 12 N -0.76 -0.64 -4.57 4.31 5.15 -1.26 -4.07 115.26 113.42 2cuq n ASN 12 Ca 0.60 1.46 -0.34 0.00 -0.60 0.00 0.00 54.58 55.69 2cuq n ASN 12 Cb 0.55 -0.29 -0.11 0.00 -0.53 0.00 0.00 39.78 39.40 2cuq n ASN 12 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2cuq s LYS 13 N -5.68 3.83 -0.24 1.20 2.20 -1.26 -5.09 119.74 114.70 2cuq s LYS 13 Ca -0.11 -0.43 -0.04 0.00 -0.36 0.00 0.00 55.97 55.03 2cuq s LYS 13 Cb 0.15 -3.08 -0.00 0.00 -1.51 0.00 0.00 37.83 33.38 2cuq s LYS 13 CO 0.57 0.24 -0.02 -0.59 -0.36 0.00 0.00 175.35 175.19 2cuq s PHE 14 N 0.41 3.00 0.15 4.03 -0.71 -1.26 -5.08 117.98 118.52 2cuq s PHE 14 Ca -0.00 -0.96 -0.22 0.00 -1.04 0.00 0.00 56.93 54.71 2cuq s PHE 14 Cb -0.13 -2.13 0.06 0.00 -1.21 0.00 0.00 43.02 39.61 2cuq s PHE 14 CO 0.02 -0.55 0.57 0.00 -1.34 0.00 0.00 175.22 173.91 2cuq s ALA 15 N 1.48 -1.50 0.68 1.99 0.00 -1.26 -5.14 121.76 118.01 2cuq s ALA 15 Ca 0.05 0.42 -0.14 0.00 0.00 0.00 0.00 51.96 52.28 2cuq s ALA 15 Cb -0.15 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2cuq s ALA 15 CO -0.02 -0.75 1.11 -1.25 0.00 0.00 0.00 175.76 174.85 2cuq s PRO 16 N -3.73 2.70 -0.01 0.00 0.04 -1.26 -4.88 135.00 127.85 2cuq s PRO 16 Ca 0.01 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.42 2cuq s PRO 16 Cb -0.01 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 2cuq s PRO 16 CO -0.13 -1.33 -0.07 1.03 0.04 0.00 0.00 177.00 176.55 2cuq s ARG 17 N -4.25 0.67 -0.10 4.56 0.52 -1.26 -1.52 118.95 117.57 2cuq s ARG 17 Ca 0.66 -0.25 -0.40 0.00 -0.52 0.00 0.00 55.73 55.21 2cuq s ARG 17 Cb -0.20 -0.65 -0.18 0.00 0.52 0.00 0.00 34.95 34.44 2cuq s ARG 17 CO 0.44 0.13 1.36 0.00 0.02 0.00 0.00 175.30 177.25 2cuq h ALA 19 N 4.54 1.00 0.00 0.00 0.00 -0.35 2.07 119.26 126.53 2cuq h ALA 19 Ca -0.48 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 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 0.80 0.00 -0.85 -2.13 0.00 0.00 0.00 179.25 177.06 2cuq n ARG 20 N -2.41 0.49 -0.03 0.00 3.00 -1.26 -4.70 116.66 111.76 2cuq n ARG 20 Ca -0.00 0.49 -0.21 0.00 -0.00 0.00 0.00 57.85 58.13 2cuq n ARG 20 Cb 0.12 -1.67 -0.13 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 -3.51 -2.15 0.00 0.00 2.88 0.70 -4.93 113.62 106.61 2cuq n SER 22 Ca -0.35 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 2cuq n SER 22 Cb 1.02 -3.14 0.00 0.00 -0.75 0.00 0.00 64.21 61.34 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 -2.80 0.00 -3.59 -1.46 5.02 -1.26 -4.79 118.16 109.29 2cuq n LYS 23 Ca -0.16 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.04 2cuq n LYS 23 Cb 0.59 -0.31 -0.05 0.00 -0.02 0.00 0.00 35.03 35.25 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 -0.61 0.00 -0.30 -0.18 -4.23 -1.26 -4.85 115.64 104.20 2cuq s THR 24 Ca 0.00 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.68 2cuq s THR 24 Cb 0.00 -1.00 0.48 0.00 1.34 0.00 0.00 72.50 73.32 2cuq s THR 24 CO 0.00 0.00 1.07 0.18 -0.54 0.00 0.00 174.62 175.33 2cuq n LEU 25 N 0.71 2.38 -0.12 4.79 4.77 -0.58 -4.61 117.00 124.34 2cuq n LEU 25 Ca -0.09 -3.73 -0.09 0.00 -0.03 0.00 0.00 56.01 52.07 2cuq n LEU 25 Cb 0.58 0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.90 2cuq n LEU 25 CO 0.15 1.49 0.97 0.71 -1.33 0.00 0.00 177.39 179.38 2cuq h THR 26 N 3.95 1.15 -2.59 -5.08 1.35 -1.98 -3.38 112.91 106.33 2cuq h THR 26 Ca -0.00 -0.39 -0.57 0.00 -0.55 0.00 0.00 66.41 64.89 2cuq h THR 26 Cb 1.24 0.72 -0.10 0.00 -1.73 0.00 0.00 68.15 68.28 2cuq h THR 26 CO 0.44 0.15 0.85 -1.10 -0.25 0.00 0.00 175.52 175.62 2cuq s GLN 27 N -5.84 3.21 0.67 4.72 -0.21 -1.26 -4.94 119.66 116.01 2cuq s GLN 27 Ca -0.13 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 54.87 2cuq s GLN 27 Cb 0.10 -4.17 0.00 0.00 1.00 0.00 0.00 33.01 29.94 2cuq s GLN 27 CO 0.73 -1.95 0.00 0.41 -2.12 0.00 0.00 175.29 172.36 2cuq n GLY 28 N 5.31 1.50 0.00 3.09 0.00 -1.26 -4.98 105.19 108.86 2cuq n GLY 28 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.46 3.30 -0.02 0.00 -1.26 -4.87 105.19 102.80 2cuq n GLY 29 Ca 0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.56 0.04 -0.16 1.61 -7.23 -1.13 -4.91 120.40 108.06 2cuq s VAL 30 Ca 0.00 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2cuq s VAL 30 Cb 0.00 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.80 2cuq s VAL 30 CO 0.00 -0.16 0.02 0.28 -0.31 0.00 0.00 175.10 174.93 2cuq s THR 31 N -4.06 0.54 -0.07 5.32 -1.32 -1.26 -0.76 115.64 114.03 2cuq s THR 31 Ca 0.27 -0.37 -0.01 0.00 -1.21 0.00 0.00 61.69 60.37 2cuq s THR 31 Cb 0.05 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 2cuq s THR 31 CO 0.07 -0.04 -0.01 -0.47 -2.21 0.00 0.00 174.62 171.95 2cuq s TYR 32 N 1.87 3.11 -1.51 9.09 5.04 0.50 -4.52 117.35 130.93 2cuq s TYR 32 Ca 0.01 0.15 -0.15 0.00 -2.44 0.00 0.00 57.07 54.64 2cuq s TYR 32 Cb -0.15 -1.76 0.12 0.00 0.35 0.00 0.00 41.96 40.52 2cuq s TYR 32 CO -0.07 0.44 0.68 2.89 -1.34 0.00 0.00 175.55 178.16 2cuq n ARG 33 N 2.03 -3.36 -2.05 4.97 1.85 -1.26 0.12 116.66 118.97 2cuq n ARG 33 Ca -0.18 0.41 -0.13 0.00 -1.00 0.00 0.00 57.85 56.95 2cuq n ARG 33 Cb 0.53 -5.14 -0.02 0.00 -1.05 0.00 0.00 32.46 26.79 2cuq n ARG 33 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2cuq n ASP 34 N -2.51 -4.10 -3.97 2.89 9.92 -1.26 -5.01 116.55 112.51 2cuq n ASP 34 Ca 0.05 0.06 -0.13 0.00 -0.53 0.00 0.00 54.79 54.24 2cuq n ASP 34 Cb 0.51 -3.17 -0.13 0.00 -0.64 0.00 0.00 41.12 37.69 2cuq n ASP 34 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2cuq s GLN 35 N -4.29 0.34 0.05 -1.24 -0.21 0.33 -5.12 119.66 109.52 2cuq s GLN 35 Ca 0.00 -0.41 -0.31 0.00 0.02 0.00 0.00 55.36 54.66 2cuq s GLN 35 Cb 0.00 -0.16 -0.07 0.00 1.00 0.00 0.00 33.01 33.78 2cuq s GLN 35 CO 0.00 0.03 1.41 -1.25 -2.12 0.00 0.00 175.29 173.36 2cuq s PRO 36 N -0.84 4.30 0.04 2.91 0.04 -1.26 0.19 135.00 140.38 2cuq s PRO 36 Ca -0.06 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.05 2cuq s PRO 36 Cb -0.06 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 2cuq s PRO 36 CO -0.00 -0.52 -0.12 -1.58 0.04 0.00 0.00 177.00 174.82 2cuq s TRP 37 N 1.83 1.03 -0.24 0.56 0.52 0.06 0.47 118.94 123.16 2cuq s TRP 37 Ca 0.65 -0.38 -0.29 0.00 0.02 0.00 0.00 56.10 56.10 2cuq s TRP 37 Cb -0.34 -0.61 -0.00 0.00 -1.15 0.00 0.00 33.47 31.37 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 -0.97 2.76 0.23 -1.98 3.76 -1.26 -2.82 115.29 115.01 2cuq s HIS 38 Ca -0.02 0.94 0.09 0.00 -0.15 0.00 0.00 55.06 55.92 2cuq s HIS 38 Cb -0.08 -3.73 0.74 0.00 1.11 0.00 0.00 32.58 30.62 2cuq s HIS 38 CO 0.01 -1.68 1.05 0.54 -0.85 0.00 0.00 174.74 173.81 2cuq n ARG 39 N 7.01 -0.05 -0.03 1.40 1.74 -1.26 0.17 116.66 125.63 2cuq n ARG 39 Ca 0.14 0.95 -0.14 0.00 -0.77 0.00 0.00 57.85 58.03 2cuq n ARG 39 Cb 0.46 -1.62 -0.11 0.00 -1.02 0.00 0.00 32.46 30.17 2cuq n ARG 39 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 2cuq h GLU 40 N 0.00 0.10 0.29 5.56 4.11 -2.02 -3.34 114.58 119.28 2cuq h GLU 40 Ca 0.50 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.84 2cuq h GLU 40 Cb 1.22 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2cuq h GLU 40 CO -0.56 0.77 -0.22 0.00 0.07 0.00 0.00 179.01 179.07 2cuq n LEU 42 N -5.35 0.90 -3.77 0.00 7.94 0.13 -4.86 117.00 112.00 2cuq n LEU 42 Ca -0.09 -0.10 -0.13 0.00 -1.11 0.00 0.00 56.01 54.58 2cuq n LEU 42 Cb 0.26 -1.13 -0.08 0.00 0.53 0.00 0.00 43.42 42.99 2cuq n LEU 42 CO 0.32 -1.06 0.00 0.68 -1.11 0.00 0.00 177.39 176.22 2cuq s VAL 43 N 9.84 0.07 0.72 1.96 -7.23 -1.26 -3.56 120.40 120.94 2cuq s VAL 43 Ca 1.23 -0.56 -0.16 0.00 -1.81 0.00 0.00 61.98 60.67 2cuq s VAL 43 Cb -0.88 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.32 2cuq s VAL 43 CO 0.41 -0.31 0.44 0.00 -0.31 0.00 0.00 175.10 175.33 2cuq n THR 45 N -2.35 2.24 0.09 0.00 -1.04 -0.24 -3.10 114.28 109.88 2cuq n THR 45 Ca 0.09 -1.14 0.00 0.00 -2.04 0.00 0.00 64.05 60.96 2cuq n THR 45 Cb 0.50 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 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 0.42 -0.17 0.02 3.41 0.00 -1.26 -4.89 105.19 102.72 2cuq n GLY 46 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.41 -3.66 -4.51 0.00 1.13 -1.18 -4.98 117.38 102.78 2cuq n GLN 48 Ca 0.04 0.69 -0.34 0.00 -1.94 0.00 0.00 57.00 55.45 2cuq n GLN 48 Cb 0.32 -5.11 -0.10 0.00 0.11 0.00 0.00 30.24 25.46 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 3.92 -0.48 5.09 -1.32 -1.26 -4.73 115.64 113.56 2cuq s THR 49 Ca 0.18 -0.44 -0.27 0.00 -1.21 0.00 0.00 61.69 59.94 2cuq s THR 49 Cb -0.02 -2.64 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 2cuq s THR 49 CO 0.59 0.57 1.78 -2.16 -2.21 0.00 0.00 174.62 173.19 2cuq s PRO 50 N -0.94 3.02 -0.02 7.08 0.04 -1.26 -0.97 135.00 141.95 2cuq s PRO 50 Ca 0.14 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.17 2cuq s PRO 50 Cb -0.11 -4.27 0.13 0.00 0.04 0.00 0.00 34.50 30.29 2cuq s PRO 50 CO 0.03 -2.25 0.94 1.28 0.04 0.00 0.00 177.00 177.04 2cuq n LEU 51 N 11.31 1.22 -4.52 -3.56 4.77 -1.23 -4.86 117.00 120.12 2cuq n LEU 51 Ca 0.21 -0.61 -0.36 0.00 -0.03 0.00 0.00 56.01 55.21 2cuq n LEU 51 Cb 0.50 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 2cuq n LEU 51 CO 0.70 0.24 2.09 0.00 -1.33 0.00 0.00 177.39 179.09 2cuq n ALA 52 N -0.01 0.54 -2.50 -1.18 0.00 -1.26 0.44 120.51 116.54 2cuq n ALA 52 Ca 0.05 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 2cuq n ALA 52 Cb 0.25 -2.69 0.01 0.00 0.00 0.00 0.00 19.45 17.02 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 6.26 0.10 3.41 0.00 0.00 -1.26 -5.04 105.19 108.66 2cuq n GLY 53 Ca 0.54 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.91 1.47 -0.33 1.61 0.74 0.17 -5.09 119.66 113.31 2cuq s GLN 54 Ca 0.10 -1.39 -0.29 0.00 0.05 0.00 0.00 55.36 53.84 2cuq s GLN 54 Cb -0.05 -1.90 0.00 0.00 1.10 0.00 0.00 33.01 32.17 2cuq s GLN 54 CO 0.13 0.44 1.35 -1.14 -0.55 0.00 0.00 175.29 175.52 2cuq s GLN 55 N -2.25 3.80 0.32 1.67 2.00 -1.26 -4.97 119.66 118.97 2cuq s GLN 55 Ca 0.16 1.16 -0.01 0.00 -2.00 0.00 0.00 55.36 54.67 2cuq s GLN 55 Cb -0.09 -3.93 0.01 0.00 0.80 0.00 0.00 33.01 29.79 2cuq s GLN 55 CO 0.08 -1.28 0.44 1.97 -0.50 0.00 0.00 175.29 176.00 2cuq n PHE 56 N 8.05 -1.34 -4.22 1.67 1.16 -1.26 -4.28 117.46 117.25 2cuq n PHE 56 Ca 0.15 -2.16 -0.13 0.00 -1.87 0.00 0.00 57.45 53.45 2cuq n PHE 56 Cb 0.47 0.49 -0.10 0.00 -1.61 0.00 0.00 39.48 38.73 2cuq n PHE 56 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 2cuq s THR 57 N -2.80 0.67 -0.02 1.97 -1.32 -0.71 -4.96 115.64 108.47 2cuq s THR 57 Ca 0.27 -1.97 0.05 0.00 -1.21 0.00 0.00 61.69 58.83 2cuq s THR 57 Cb -0.01 -2.02 -0.03 0.00 -1.51 0.00 0.00 72.50 68.94 2cuq s THR 57 CO 0.19 -0.57 -0.15 -0.94 -2.21 0.00 0.00 174.62 170.95 2cuq s SER 58 N -3.14 4.01 -0.03 8.08 1.04 -1.26 -0.08 113.70 122.32 2cuq s SER 58 Ca 0.21 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 2cuq s SER 58 Cb 0.06 -0.79 0.03 0.00 0.10 0.00 0.00 66.02 65.41 2cuq s SER 58 CO 0.02 0.31 0.05 -0.60 0.98 0.00 0.00 173.24 174.00 2cuq s ARG 59 N -1.02 -0.03 -1.48 4.02 6.06 0.14 -4.85 118.95 121.79 2cuq s ARG 59 Ca 0.13 0.23 -0.12 0.00 -2.50 0.00 0.00 55.73 53.47 2cuq s ARG 59 Cb -0.11 -0.27 0.08 0.00 0.06 0.00 0.00 34.95 34.71 2cuq s ARG 59 CO 0.03 -0.19 0.80 -0.25 -2.50 0.00 0.00 175.30 173.19 2cuq n ASP 60 N 4.33 -4.57 -2.66 -2.12 8.00 -1.26 -1.44 116.55 116.82 2cuq n ASP 60 Ca -0.25 -0.64 -0.12 0.00 0.71 0.00 0.00 54.79 54.49 2cuq n ASP 60 Cb 0.50 -3.69 0.06 0.00 -0.02 0.00 0.00 41.12 37.97 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 -4.34 -4.70 -3.66 -1.24 1.02 -1.26 -5.04 120.64 101.42 2cuq n GLU 61 Ca 0.02 0.58 -0.08 0.00 -0.02 0.00 0.00 57.16 57.66 2cuq n GLU 61 Cb 0.54 -4.82 -0.08 0.00 -0.02 0.00 0.00 31.44 27.05 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 -3.83 -0.68 -0.14 1.62 1.01 -0.52 -5.13 116.67 109.00 2cuq s ASP 62 Ca 0.06 1.19 -0.29 0.00 0.71 0.00 0.00 52.55 54.22 2cuq s ASP 62 Cb -0.03 1.29 -0.04 0.00 1.01 0.00 0.00 42.92 45.16 2cuq s ASP 62 CO 0.50 -0.22 1.55 -2.16 0.21 0.00 0.00 175.17 175.06 2cuq s PRO 63 N 1.94 4.05 -0.09 8.23 0.04 -1.26 -0.69 135.00 147.23 2cuq s PRO 63 Ca -0.08 1.88 0.03 0.00 0.04 0.00 0.00 61.00 62.87 2cuq s PRO 63 Cb -0.09 -3.96 0.01 0.00 0.04 0.00 0.00 34.50 30.51 2cuq s PRO 63 CO -0.16 -0.98 -0.16 0.71 0.04 0.00 0.00 177.00 176.45 2cuq s TYR 64 N 4.35 1.91 0.54 0.56 2.02 0.88 -1.08 117.35 126.53 2cuq s TYR 64 Ca 0.69 -0.79 -0.19 0.00 -0.37 0.00 0.00 57.07 56.40 2cuq s TYR 64 Cb -0.28 -1.35 -0.06 0.00 -0.40 0.00 0.00 41.96 39.88 2cuq s TYR 64 CO 0.26 -0.37 1.12 0.00 -1.57 0.00 0.00 175.55 174.99 2cuq h VAL 66 N 1.22 0.42 -0.10 0.00 2.07 -1.93 0.94 116.25 118.87 2cuq h VAL 66 Ca -0.50 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2cuq h VAL 66 Cb 1.26 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2cuq h VAL 66 CO 0.57 0.07 -0.10 0.00 0.02 0.00 0.00 177.57 178.12 2cuq h ALA 67 N 1.67 1.64 0.00 1.67 0.00 -1.93 -2.48 119.26 119.83 2cuq h ALA 67 Ca 0.66 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 55.22 2cuq h ALA 67 Cb 1.66 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 2cuq h ALA 67 CO -0.39 0.27 -1.11 0.00 0.00 0.00 0.00 179.25 178.01 2cuq h PHE 69 N -1.00 -0.20 -0.52 0.00 3.57 -0.41 0.78 116.94 119.17 2cuq h PHE 69 Ca -0.30 0.06 -0.25 0.00 3.53 0.00 0.00 57.97 61.01 2cuq h PHE 69 Cb 1.24 0.21 -0.15 0.00 2.79 0.00 0.00 35.95 40.04 2cuq h PHE 69 CO 0.10 -0.30 0.32 0.41 -2.23 0.00 0.00 178.31 176.62 2cuq n GLY 70 N -1.46 3.25 0.47 2.40 0.00 -0.94 -3.15 105.19 105.76 2cuq n GLY 70 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.32 0.00 -0.06 1.61 4.07 0.24 -4.52 120.64 121.65 2cuq n GLU 71 Ca 0.31 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.36 2cuq n GLU 71 Cb 1.10 -0.49 -0.04 0.00 -0.06 0.00 0.00 31.44 31.95 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 0.14 4.31 4.07 -0.63 -3.40 115.31 119.80 2cuq h LEU 72 Ca 0.00 -0.28 -0.19 0.00 0.08 0.00 0.00 57.88 57.49 2cuq h LEU 72 Cb 0.25 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.02 2cuq h LEU 72 CO 0.00 0.67 -0.84 -0.26 -1.08 0.00 0.00 178.44 176.93 2cuq h PHE 73 N -1.00 0.57 -3.15 1.13 0.04 -1.74 -3.46 116.94 109.33 2cuq h PHE 73 Ca -0.01 -0.41 -0.52 0.00 2.80 0.00 0.00 57.97 59.83 2cuq h PHE 73 Cb 0.32 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2cuq h PHE 73 CO 0.07 1.32 -0.17 0.00 -0.60 0.00 0.00 178.31 178.93 2cuq s ALA 74 N -2.47 3.65 -0.19 2.45 0.00 -1.19 -4.02 121.76 119.99 2cuq s ALA 74 Ca -0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 2cuq s ALA 74 Cb 0.01 -2.26 -0.20 0.00 0.00 0.00 0.00 23.12 20.67 2cuq s ALA 74 CO 0.84 0.27 0.11 0.43 0.00 0.00 0.00 175.76 177.41 2cuq n SER 75 N -0.90 2.00 0.00 0.00 7.64 -1.24 -3.42 113.62 117.69 2cuq n SER 75 Ca -0.02 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2cuq n SER 75 Cb 0.54 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2cuq n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cuq n GLY 76 N 1.77 -1.19 0.00 0.23 0.00 -1.26 -4.89 105.19 99.84 2cuq n GLY 76 Ca -0.38 0.44 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.60 1.61 -0.04 -1.26 -4.57 135.00 127.63 2cuq n PRO 77 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2cuq n PRO 77 Cb 0.00 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 2cuq n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cuq s SER 78 N -1.93 -0.92 0.19 3.54 0.15 -1.26 -5.14 113.70 108.33 2cuq s SER 78 Ca 0.20 1.34 -0.33 0.00 0.70 0.00 0.00 55.95 57.86 2cuq s SER 78 Cb 0.09 1.82 -0.13 0.00 -1.71 0.00 0.00 66.02 66.09 2cuq s SER 78 CO 0.15 -0.20 1.65 -1.20 1.20 0.00 0.00 173.24 174.85 2cuq n SER 79 N 4.86 3.56 0.00 5.45 7.64 -1.26 -3.69 113.62 130.18 2cuq n SER 79 Ca -0.14 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2cuq n SER 79 Cb 0.53 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2cuq n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64