#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 4.17 -0.11 1.61 0.01 -1.26 -5.10 113.70 113.02 2cuq s SER 2 Ca 0.00 0.67 -0.13 0.00 1.31 0.00 0.00 55.95 57.80 2cuq s SER 2 Cb 0.00 -1.06 0.03 0.00 0.21 0.00 0.00 66.02 65.20 2cuq s SER 2 CO 0.00 -2.11 0.34 -0.94 0.41 0.00 0.00 173.24 170.94 2cuq s SER 3 N -4.64 -0.33 0.00 2.44 1.04 -1.26 -5.12 113.70 105.84 2cuq s SER 3 Ca 0.65 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.65 2cuq s SER 3 Cb -0.09 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2cuq s SER 3 CO 0.50 -0.18 0.06 0.61 0.98 0.00 0.00 173.24 175.21 2cuq n GLY 4 N 2.58 -2.40 3.03 7.32 0.00 -1.26 -4.91 105.19 109.55 2cuq n GLY 4 Ca -0.15 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2cuq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cuq n SER 5 N -0.07 -4.29 -1.68 1.61 2.88 -1.26 -4.87 113.62 105.94 2cuq n SER 5 Ca 0.00 -0.43 -0.05 0.00 -1.33 0.00 0.00 58.87 57.06 2cuq n SER 5 Cb 0.00 -4.01 -0.05 0.00 -0.75 0.00 0.00 64.21 59.41 2cuq n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cuq n SER 6 N -2.18 5.40 -3.96 -3.46 7.64 -1.26 -4.64 113.62 111.16 2cuq n SER 6 Ca -0.07 -2.48 -0.31 0.00 1.01 0.00 0.00 58.87 57.02 2cuq n SER 6 Cb 0.57 -1.21 -0.10 0.00 -1.01 0.00 0.00 64.21 62.47 2cuq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cuq n GLY 7 N 1.70 4.11 0.00 0.23 0.00 -1.26 -4.89 105.19 105.09 2cuq n GLY 7 Ca 0.14 -2.61 0.07 0.00 0.00 0.00 0.00 46.02 43.63 2cuq n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuq n PRO 8 N 2.01 0.22 -1.80 1.61 -0.04 -1.26 -2.90 135.00 132.84 2cuq n PRO 8 Ca 0.21 0.14 -0.30 0.00 -0.04 0.00 0.00 63.50 63.51 2cuq n PRO 8 Cb 0.36 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.36 2cuq n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cuq s TYR 10 N -3.73 0.81 -0.41 0.00 1.51 -1.14 -5.08 117.35 109.31 2cuq s TYR 10 Ca 0.56 -0.17 -0.27 0.00 -1.01 0.00 0.00 57.07 56.18 2cuq s TYR 10 Cb 0.45 -0.55 -0.06 0.00 -0.11 0.00 0.00 41.96 41.69 2cuq s TYR 10 CO -0.05 -0.04 2.36 -1.21 -1.11 0.00 0.00 175.55 175.49 2cuq s GLU 11 N -0.04 2.41 -0.24 -0.62 2.02 -1.26 -4.86 118.70 116.11 2cuq s GLU 11 Ca 0.01 1.60 -0.28 0.00 0.02 0.00 0.00 54.97 56.32 2cuq s GLU 11 Cb -0.05 -4.52 0.15 0.00 0.10 0.00 0.00 34.13 29.81 2cuq s GLU 11 CO -0.00 -2.93 1.18 0.54 0.02 0.00 0.00 175.26 174.07 2cuq s ASN 12 N 11.04 -0.24 -1.40 -0.19 2.20 -1.26 -4.98 114.94 120.12 2cuq s ASN 12 Ca 0.99 0.33 -0.08 0.00 -0.94 0.00 0.00 52.86 53.16 2cuq s ASN 12 Cb -0.22 0.29 0.01 0.00 -2.00 0.00 0.00 41.25 39.33 2cuq s ASN 12 CO 0.29 -0.17 1.00 0.29 -2.94 0.00 0.00 177.10 175.56 2cuq n LYS 13 N 1.06 -6.94 0.00 3.55 5.02 -1.26 -4.86 118.16 114.73 2cuq n LYS 13 Ca -0.08 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 2cuq n LYS 13 Cb 0.58 -5.80 0.00 0.00 -0.02 0.00 0.00 35.03 29.79 2cuq n LYS 13 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2cuq n PHE 14 N -4.83 0.00 -3.62 2.13 -0.00 -1.26 -5.10 117.46 104.78 2cuq n PHE 14 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.37 2cuq n PHE 14 Cb 0.58 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 40.01 2cuq n PHE 14 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2cuq s ALA 15 N -1.48 -2.06 0.77 3.13 0.00 -1.26 -5.14 121.76 115.72 2cuq s ALA 15 Ca 0.00 1.77 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 2cuq s ALA 15 Cb 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 23.12 21.89 2cuq s ALA 15 CO 0.00 -0.25 1.09 -1.25 0.00 0.00 0.00 175.76 175.36 2cuq s PRO 16 N -0.86 2.26 -0.11 0.00 0.04 -1.26 -4.92 135.00 130.15 2cuq s PRO 16 Ca 0.05 1.17 -0.09 0.00 0.04 0.00 0.00 61.00 62.17 2cuq s PRO 16 Cb -0.01 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.66 2cuq s PRO 16 CO -0.06 -1.64 0.28 1.03 0.04 0.00 0.00 177.00 176.65 2cuq s ARG 17 N -4.90 0.32 0.03 4.56 0.52 -1.26 -1.34 118.95 116.88 2cuq s ARG 17 Ca 0.61 0.42 -0.37 0.00 -0.52 0.00 0.00 55.73 55.88 2cuq s ARG 17 Cb -0.17 0.12 -0.16 0.00 0.52 0.00 0.00 34.95 35.27 2cuq s ARG 17 CO 0.56 -0.06 1.49 0.00 0.02 0.00 0.00 175.30 177.31 2cuq h ALA 19 N 5.56 1.00 0.00 0.00 0.00 -0.21 2.10 119.26 127.71 2cuq h ALA 19 Ca -0.47 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 2cuq h ALA 19 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2cuq h ALA 19 CO 0.84 0.00 -1.14 -2.13 0.00 0.00 0.00 179.25 176.82 2cuq n ARG 20 N -2.31 0.52 -0.05 0.00 3.00 -1.26 -4.70 116.66 111.86 2cuq n ARG 20 Ca 0.00 0.46 -0.21 0.00 -0.00 0.00 0.00 57.85 58.10 2cuq n ARG 20 Cb 0.13 -1.64 -0.13 0.00 0.00 0.00 0.00 32.46 30.81 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 -3.50 -2.92 0.00 0.00 2.88 0.71 -4.92 113.62 105.86 2cuq n SER 22 Ca -0.37 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 2cuq n SER 22 Cb 1.00 -2.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.15 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 -2.26 0.00 -3.62 -1.46 5.02 -1.26 -4.76 118.16 109.82 2cuq n LYS 23 Ca -0.05 0.07 -0.06 0.00 -2.02 0.00 0.00 58.31 56.25 2cuq n LYS 23 Cb 0.54 -0.38 -0.05 0.00 -0.02 0.00 0.00 35.03 35.12 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 -0.48 0.00 -0.30 -0.18 -4.23 -1.26 -4.82 115.64 104.37 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 1.08 0.18 -0.54 0.00 0.00 174.62 175.34 2cuq n LEU 25 N 0.84 2.42 -0.14 4.79 4.77 -0.45 -4.62 117.00 124.63 2cuq n LEU 25 Ca -0.06 -3.71 -0.04 0.00 -0.03 0.00 0.00 56.01 52.18 2cuq n LEU 25 Cb 0.58 0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.95 2cuq n LEU 25 CO 0.09 1.47 0.88 0.71 -1.33 0.00 0.00 177.39 179.22 2cuq h THR 26 N 4.05 0.72 -4.50 -5.08 1.35 -1.98 -3.43 112.91 104.04 2cuq h THR 26 Ca 0.00 -0.06 -0.48 0.00 -0.55 0.00 0.00 66.41 65.32 2cuq h THR 26 Cb 1.26 0.53 0.09 0.00 -1.73 0.00 0.00 68.15 68.30 2cuq h THR 26 CO 0.43 0.03 0.40 -1.10 -0.25 0.00 0.00 175.52 175.03 2cuq s GLN 27 N -6.16 2.44 -0.15 4.72 -1.52 -1.26 -4.91 119.66 112.81 2cuq s GLN 27 Ca -0.13 0.35 -0.39 0.00 -1.95 0.00 0.00 55.36 53.24 2cuq s GLN 27 Cb 0.14 -1.98 -0.18 0.00 -0.22 0.00 0.00 33.01 30.77 2cuq s GLN 27 CO 0.72 -1.31 1.15 0.41 -0.25 0.00 0.00 175.29 176.00 2cuq n GLY 28 N -3.01 -0.12 0.03 3.09 0.00 -1.26 -4.93 105.19 98.98 2cuq n GLY 28 Ca 0.07 0.78 -0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 2.14 4.04 3.45 -0.02 0.00 -1.26 -4.89 105.19 108.64 2cuq n GLY 29 Ca 0.22 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.92 0.71 -0.03 1.61 -7.23 -1.12 -4.95 120.40 107.48 2cuq s VAL 30 Ca 0.00 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2cuq s VAL 30 Cb 0.00 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.45 2cuq s VAL 30 CO 0.00 0.00 0.05 0.28 -0.31 0.00 0.00 175.10 175.12 2cuq s THR 31 N -3.35 -0.06 -0.17 5.32 -1.32 -1.26 -0.45 115.64 114.35 2cuq s THR 31 Ca 0.31 0.22 0.01 0.00 -1.21 0.00 0.00 61.69 61.01 2cuq s THR 31 Cb 0.05 -0.10 0.02 0.00 -1.51 0.00 0.00 72.50 70.96 2cuq s THR 31 CO 0.15 0.09 -0.17 -0.47 -2.21 0.00 0.00 174.62 172.01 2cuq s TYR 32 N 1.11 2.50 -0.90 9.09 5.04 0.37 -4.76 117.35 129.80 2cuq s TYR 32 Ca -0.09 -1.46 -0.02 0.00 -2.44 0.00 0.00 57.07 53.06 2cuq s TYR 32 Cb -0.13 -1.77 -0.02 0.00 0.35 0.00 0.00 41.96 40.39 2cuq s TYR 32 CO -0.03 -0.75 0.76 0.54 -1.34 0.00 0.00 175.55 174.73 2cuq n ARG 33 N 4.69 -3.75 -3.70 4.97 1.74 -1.26 -2.86 116.66 116.49 2cuq n ARG 33 Ca -0.19 0.68 -0.28 0.00 -0.77 0.00 0.00 57.85 57.29 2cuq n ARG 33 Cb 0.50 -5.06 0.02 0.00 -1.02 0.00 0.00 32.46 26.90 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 -2.76 -4.80 -3.74 0.55 -0.08 -1.26 -4.96 116.55 99.50 2cuq n ASP 34 Ca -0.15 -0.64 -0.13 0.00 -1.51 0.00 0.00 54.79 52.35 2cuq n ASP 34 Cb 0.62 -3.86 -0.09 0.00 2.34 0.00 0.00 41.12 40.13 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 -6.40 0.56 0.07 -0.67 -0.21 -1.13 -5.14 119.66 106.74 2cuq s GLN 35 Ca 0.58 0.25 -0.31 0.00 0.02 0.00 0.00 55.36 55.90 2cuq s GLN 35 Cb -0.29 0.26 -0.07 0.00 1.00 0.00 0.00 33.01 33.91 2cuq s GLN 35 CO 0.71 -0.11 1.39 -1.25 -2.12 0.00 0.00 175.29 173.91 2cuq s PRO 36 N -0.43 4.31 0.06 2.91 0.04 -1.26 0.14 135.00 140.77 2cuq s PRO 36 Ca -0.06 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.06 2cuq s PRO 36 Cb -0.04 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 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 1.56 1.07 -0.22 0.56 0.52 0.40 0.59 118.94 123.42 2cuq s TRP 37 Ca 0.64 -0.45 -0.29 0.00 0.02 0.00 0.00 56.10 56.03 2cuq s TRP 37 Cb -0.35 -0.61 -0.01 0.00 -1.15 0.00 0.00 33.47 31.35 2cuq s TRP 37 CO 0.29 0.02 1.36 -1.01 0.02 0.00 0.00 176.95 177.63 2cuq s HIS 38 N -1.21 2.60 0.36 -1.98 3.76 -1.26 -2.80 115.29 114.75 2cuq s HIS 38 Ca -0.03 0.82 0.27 0.00 -0.15 0.00 0.00 55.06 55.97 2cuq s HIS 38 Cb -0.10 -3.77 1.19 0.00 1.11 0.00 0.00 32.58 31.02 2cuq s HIS 38 CO 0.02 -2.06 1.23 0.54 -0.85 0.00 0.00 174.74 173.61 2cuq n ARG 39 N 7.10 -0.03 -0.01 1.40 1.74 -1.26 0.17 116.66 125.78 2cuq n ARG 39 Ca 0.15 0.97 -0.17 0.00 -0.77 0.00 0.00 57.85 58.03 2cuq n ARG 39 Cb 0.45 -1.94 -0.14 0.00 -1.02 0.00 0.00 32.46 29.82 2cuq n ARG 39 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2cuq h GLU 40 N 0.00 0.16 0.12 5.56 5.08 -2.00 -3.36 114.58 120.15 2cuq h GLU 40 Ca 0.70 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2cuq h GLU 40 Cb 2.31 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.64 2cuq h GLU 40 CO -0.33 1.11 -0.11 0.00 -1.00 0.00 0.00 179.01 178.68 2cuq n LEU 42 N -5.23 1.09 -3.72 0.00 7.94 0.52 -4.85 117.00 112.75 2cuq n LEU 42 Ca -0.08 -0.48 -0.14 0.00 -1.11 0.00 0.00 56.01 54.20 2cuq n LEU 42 Cb 0.15 -1.25 -0.08 0.00 0.53 0.00 0.00 43.42 42.77 2cuq n LEU 42 CO 0.32 -1.49 0.10 0.68 -1.11 0.00 0.00 177.39 175.88 2cuq s VAL 43 N 10.05 0.05 0.95 1.96 -7.23 -1.26 -3.46 120.40 121.46 2cuq s VAL 43 Ca 1.13 -0.42 -0.15 0.00 -1.81 0.00 0.00 61.98 60.73 2cuq s VAL 43 Cb -0.59 -0.72 -0.08 0.00 0.56 0.00 0.00 36.38 35.55 2cuq s VAL 43 CO 0.34 -0.23 -0.28 0.00 -0.31 0.00 0.00 175.10 174.62 2cuq n THR 45 N -2.86 0.00 -0.06 0.00 -1.04 -1.04 -3.08 114.28 106.20 2cuq n THR 45 Ca 0.02 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.05 61.91 2cuq n THR 45 Cb 0.54 0.78 -0.03 0.00 -1.82 0.00 0.00 70.33 69.81 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 1.48 -0.37 0.06 3.41 0.00 -1.26 -4.74 105.19 103.77 2cuq n GLY 46 Ca 0.05 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.27 -3.57 -4.15 0.00 1.13 -1.18 -4.95 117.38 102.39 2cuq n GLN 48 Ca -0.00 0.55 -0.35 0.00 -1.94 0.00 0.00 57.00 55.26 2cuq n GLN 48 Cb 0.50 -4.58 -0.08 0.00 0.11 0.00 0.00 30.24 26.19 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 -3.24 4.78 -0.52 5.09 -1.32 -1.26 -4.63 115.64 114.54 2cuq s THR 49 Ca 0.08 -0.17 -0.27 0.00 -1.21 0.00 0.00 61.69 60.11 2cuq s THR 49 Cb -0.01 -3.09 -0.02 0.00 -1.51 0.00 0.00 72.50 67.87 2cuq s THR 49 CO 0.47 0.53 1.81 -2.16 -2.21 0.00 0.00 174.62 173.06 2cuq s PRO 50 N -1.20 2.90 -0.02 7.08 0.04 -1.26 -0.71 135.00 141.83 2cuq s PRO 50 Ca 0.17 0.86 0.03 0.00 0.04 0.00 0.00 61.00 62.10 2cuq s PRO 50 Cb -0.12 -4.31 0.12 0.00 0.04 0.00 0.00 34.50 30.24 2cuq s PRO 50 CO 0.07 -2.40 0.89 1.28 0.04 0.00 0.00 177.00 176.88 2cuq n LEU 51 N 11.75 1.23 -4.51 -3.56 4.77 -1.22 -4.87 117.00 120.58 2cuq n LEU 51 Ca 0.21 -0.62 -0.36 0.00 -0.03 0.00 0.00 56.01 55.20 2cuq n LEU 51 Cb 0.50 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.14 2cuq n LEU 51 CO 0.70 0.24 2.14 0.00 -1.33 0.00 0.00 177.39 179.14 2cuq n ALA 52 N -0.02 0.50 -3.11 -1.18 0.00 -1.26 0.86 120.51 116.30 2cuq n ALA 52 Ca 0.04 -0.51 -0.17 0.00 0.00 0.00 0.00 53.44 52.80 2cuq n ALA 52 Cb 0.26 -2.48 0.05 0.00 0.00 0.00 0.00 19.45 17.27 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 6.28 -0.14 3.46 0.00 0.00 -1.26 -5.02 105.19 108.51 2cuq n GLY 53 Ca 0.61 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 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 -5.74 1.65 -0.48 1.61 0.74 0.25 -5.08 119.66 112.61 2cuq s GLN 54 Ca 0.35 -1.53 -0.28 0.00 0.05 0.00 0.00 55.36 53.95 2cuq s GLN 54 Cb -0.15 -1.89 0.01 0.00 1.10 0.00 0.00 33.01 32.08 2cuq s GLN 54 CO 0.43 0.39 1.49 1.14 -0.55 0.00 0.00 175.29 178.20 2cuq s GLN 55 N -2.87 3.37 0.35 1.67 -2.07 -1.26 -4.95 119.66 113.90 2cuq s GLN 55 Ca 0.23 0.78 -0.00 0.00 -1.82 0.00 0.00 55.36 54.55 2cuq s GLN 55 Cb -0.07 -4.11 -0.00 0.00 -1.09 0.00 0.00 33.01 27.73 2cuq s GLN 55 CO 0.12 -1.84 0.45 -0.59 -1.32 0.00 0.00 175.29 172.12 2cuq s PHE 56 N 6.13 1.23 0.17 9.60 -0.12 -1.26 -4.21 117.98 129.52 2cuq s PHE 56 Ca 0.60 -1.39 0.02 0.00 -0.05 0.00 0.00 56.93 56.11 2cuq s PHE 56 Cb -0.13 -0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 42.01 2cuq s PHE 56 CO 0.29 -1.12 -0.00 -0.08 -0.05 0.00 0.00 175.22 174.26 2cuq s THR 57 N -3.01 0.71 0.07 -4.49 -1.32 -0.69 -4.96 115.64 101.94 2cuq s THR 57 Ca 0.32 -1.98 0.07 0.00 -1.21 0.00 0.00 61.69 58.89 2cuq s THR 57 Cb -0.00 -2.11 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 2cuq s THR 57 CO 0.23 -0.49 -0.15 -0.94 -2.21 0.00 0.00 174.62 171.06 2cuq s SER 58 N -3.18 4.06 -0.03 8.08 1.04 -1.26 0.05 113.70 122.47 2cuq s SER 58 Ca 0.24 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2cuq s SER 58 Cb 0.06 -0.71 0.03 0.00 0.10 0.00 0.00 66.02 65.50 2cuq s SER 58 CO 0.04 0.23 0.02 -0.60 0.98 0.00 0.00 173.24 173.90 2cuq s ARG 59 N -1.76 0.14 -1.63 4.02 6.06 0.12 -4.85 118.95 121.05 2cuq s ARG 59 Ca 0.17 0.15 -0.19 0.00 -2.50 0.00 0.00 55.73 53.36 2cuq s ARG 59 Cb -0.11 -0.40 0.17 0.00 0.06 0.00 0.00 34.95 34.67 2cuq s ARG 59 CO 0.08 -0.17 0.66 -3.47 -2.50 0.00 0.00 175.30 169.90 2cuq n ASP 60 N 4.27 -2.78 -1.75 -2.12 2.03 -1.26 0.61 116.55 115.56 2cuq n ASP 60 Ca -0.25 -0.94 -0.09 0.00 0.52 0.00 0.00 54.79 54.02 2cuq n ASP 60 Cb 0.50 -2.32 0.03 0.00 -0.72 0.00 0.00 41.12 38.62 2cuq n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2cuq n GLU 61 N -4.11 -3.18 -3.67 -0.67 1.02 -1.26 -5.04 120.64 103.73 2cuq n GLU 61 Ca 0.08 0.33 -0.16 0.00 -0.02 0.00 0.00 57.16 57.39 2cuq n GLU 61 Cb 0.48 -3.85 -0.15 0.00 -0.02 0.00 0.00 31.44 27.89 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 -3.15 0.66 -0.28 1.62 1.11 0.20 -5.12 116.67 111.72 2cuq s ASP 62 Ca 0.23 0.35 -0.29 0.00 0.18 0.00 0.00 52.55 53.02 2cuq s ASP 62 Cb -0.10 0.30 -0.02 0.00 1.07 0.00 0.00 42.92 44.17 2cuq s ASP 62 CO 0.29 -0.24 1.65 -2.16 1.18 0.00 0.00 175.17 175.89 2cuq s PRO 63 N 2.22 3.63 -0.11 8.23 0.04 -1.26 0.14 135.00 147.88 2cuq s PRO 63 Ca 0.02 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.61 2cuq s PRO 63 Cb -0.12 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2cuq s PRO 63 CO -0.06 -1.50 -0.23 0.71 0.04 0.00 0.00 177.00 175.96 2cuq s TYR 64 N 5.75 2.60 0.49 0.56 2.02 0.11 -2.49 117.35 126.39 2cuq s TYR 64 Ca 0.73 -1.07 -0.20 0.00 -0.37 0.00 0.00 57.07 56.15 2cuq s TYR 64 Cb -0.23 -1.74 -0.08 0.00 -0.40 0.00 0.00 41.96 39.51 2cuq s TYR 64 CO 0.31 -0.44 1.06 0.00 -1.57 0.00 0.00 175.55 174.91 2cuq h VAL 66 N 1.51 0.30 -0.68 0.00 2.07 -1.93 0.86 116.25 118.37 2cuq h VAL 66 Ca -0.50 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 2cuq h VAL 66 Cb 1.23 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2cuq h VAL 66 CO 0.59 0.03 0.26 0.00 0.02 0.00 0.00 177.57 178.47 2cuq h ALA 67 N 1.55 1.17 0.05 1.67 0.00 -1.93 -2.43 119.26 119.35 2cuq h ALA 67 Ca 0.71 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 55.28 2cuq h ALA 67 Cb 2.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2cuq h ALA 67 CO -0.30 0.60 -0.80 0.00 0.00 0.00 0.00 179.25 178.74 2cuq h PHE 69 N -0.71 -0.87 -0.27 0.00 3.57 -0.52 0.66 116.94 118.81 2cuq h PHE 69 Ca -0.19 0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.34 2cuq h PHE 69 Cb 1.38 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 40.56 2cuq h PHE 69 CO 0.18 -0.37 0.06 0.41 -2.23 0.00 0.00 178.31 176.36 2cuq n GLY 70 N -1.43 2.30 0.00 2.40 0.00 -0.92 -3.12 105.19 104.42 2cuq n GLY 70 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.15 2.46 -0.08 1.61 2.13 0.18 -4.53 120.64 122.58 2cuq n GLU 71 Ca 0.14 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.90 2cuq n GLU 71 Cb 0.71 -0.85 -0.02 0.00 0.27 0.00 0.00 31.44 31.54 2cuq n GLU 71 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2cuq n LEU 72 N -1.64 1.83 0.00 4.31 4.32 0.16 -4.64 117.00 121.33 2cuq n LEU 72 Ca 0.00 0.52 -0.18 0.00 -0.02 0.00 0.00 56.01 56.33 2cuq n LEU 72 Cb 0.35 -0.82 -0.11 0.00 -1.62 0.00 0.00 43.42 41.23 2cuq n LEU 72 CO 0.00 -0.40 0.25 -0.26 -1.22 0.00 0.00 177.39 175.76 2cuq h PHE 73 N -0.98 0.67 -1.35 -1.77 0.04 -1.73 -3.38 116.94 108.44 2cuq h PHE 73 Ca 0.00 -0.36 -0.70 0.00 2.80 0.00 0.00 57.97 59.71 2cuq h PHE 73 Cb 0.68 -0.08 -0.12 0.00 2.20 0.00 0.00 35.95 38.63 2cuq h PHE 73 CO -0.29 1.17 1.89 0.00 -0.60 0.00 0.00 178.31 180.48 2cuq s ALA 74 N -3.28 3.57 -0.24 2.45 0.00 -1.18 -4.88 121.76 118.20 2cuq s ALA 74 Ca -0.13 -3.08 -0.26 0.00 0.00 0.00 0.00 51.96 48.49 2cuq s ALA 74 Cb 0.04 -4.45 0.10 0.00 0.00 0.00 0.00 23.12 18.81 2cuq s ALA 74 CO 0.83 -3.10 0.89 -1.54 0.00 0.00 0.00 175.76 172.84 2cuq s SER 75 N 3.71 -0.56 0.00 0.00 1.04 -1.26 -4.16 113.70 112.47 2cuq s SER 75 Ca 0.50 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.92 2cuq s SER 75 Cb 0.01 0.97 0.00 0.00 0.10 0.00 0.00 66.02 67.11 2cuq s SER 75 CO 0.05 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2cuq n GLY 76 N 2.06 0.78 0.00 7.32 0.00 -1.26 -4.96 105.19 109.13 2cuq n GLY 76 Ca -0.13 0.43 0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 0.43 -3.96 1.61 -0.04 -1.26 -4.76 135.00 127.02 2cuq n PRO 77 Ca 0.00 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.40 2cuq n PRO 77 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2cuq n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cuq s SER 78 N -2.12 -0.06 -0.11 3.54 0.01 -1.26 -5.16 113.70 108.53 2cuq s SER 78 Ca 0.21 -0.87 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 2cuq s SER 78 Cb 0.11 0.53 -0.03 0.00 0.21 0.00 0.00 66.02 66.83 2cuq s SER 78 CO 0.19 -1.04 -0.03 -0.44 0.41 0.00 0.00 173.24 172.33 2cuq s SER 79 N -2.99 4.92 0.00 2.44 0.01 -1.26 -4.78 113.70 112.04 2cuq s SER 79 Ca 0.20 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2cuq s SER 79 Cb 0.01 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2cuq s SER 79 CO 0.05 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.60