#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuq n SER 2 N 0.00 -0.90 -4.83 1.61 7.64 -1.26 -4.87 113.62 111.01 2cuq n SER 2 Ca 0.00 -0.92 -0.25 0.00 1.01 0.00 0.00 58.87 58.71 2cuq n SER 2 Cb 0.00 -1.17 -0.05 0.00 -1.01 0.00 0.00 64.21 61.99 2cuq n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cuq s SER 3 N -2.94 5.70 0.17 6.43 0.15 -1.26 -5.13 113.70 116.82 2cuq s SER 3 Ca 0.48 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 57.09 2cuq s SER 3 Cb -0.28 -1.54 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 2cuq s SER 3 CO 0.75 0.05 0.14 0.61 1.20 0.00 0.00 173.24 175.98 2cuq n GLY 4 N -0.53 3.49 2.94 9.45 0.00 -1.26 -5.14 105.19 114.14 2cuq n GLY 4 Ca -0.08 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.15 4.37 -0.07 1.61 0.15 -1.26 -5.09 113.70 111.25 2cuq s SER 5 Ca 0.19 -1.75 0.02 0.00 0.70 0.00 0.00 55.95 55.12 2cuq s SER 5 Cb 0.01 -1.35 0.01 0.00 -1.71 0.00 0.00 66.02 62.98 2cuq s SER 5 CO 0.14 -0.34 -0.13 -0.94 1.20 0.00 0.00 173.24 173.17 2cuq s SER 6 N 1.19 1.92 0.00 5.45 1.04 -1.26 -5.06 113.70 116.98 2cuq s SER 6 Ca 0.05 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2cuq s SER 6 Cb -0.19 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.06 2cuq s SER 6 CO -0.11 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2cuq n GLY 7 N 3.91 -1.13 2.60 7.32 0.00 -1.26 -5.18 105.19 111.45 2cuq n GLY 7 Ca -0.22 0.80 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 -2.60 -4.17 1.61 -0.04 -1.26 -5.07 135.00 123.47 2cuq n PRO 8 Ca 0.00 -1.30 -0.26 0.00 -0.04 0.00 0.00 63.50 61.90 2cuq n PRO 8 Cb 0.00 -1.22 -0.17 0.00 -0.04 0.00 0.00 33.50 32.08 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 1.29 3.42 -0.01 0.00 2.02 -1.26 -5.05 117.35 117.76 2cuq s TYR 10 Ca -0.03 -1.84 -0.04 0.00 -0.37 0.00 0.00 57.07 54.79 2cuq s TYR 10 Cb -0.14 -3.39 -0.00 0.00 -0.40 0.00 0.00 41.96 38.03 2cuq s TYR 10 CO -0.04 -0.97 0.09 -1.21 -1.57 0.00 0.00 175.55 171.85 2cuq s GLU 11 N 1.36 0.34 0.06 -0.62 2.02 -1.26 -5.07 118.70 115.53 2cuq s GLU 11 Ca 0.05 -0.29 -0.27 0.00 0.02 0.00 0.00 54.97 54.48 2cuq s GLU 11 Cb -0.26 0.14 -0.17 0.00 0.10 0.00 0.00 34.13 33.94 2cuq s GLU 11 CO -0.00 -0.07 1.54 -2.95 0.02 0.00 0.00 175.26 173.80 2cuq h ASN 12 N 4.86 -0.38 -2.60 -0.19 7.08 -2.09 -3.45 115.58 118.81 2cuq h ASN 12 Ca -0.29 -0.06 -0.54 0.00 -3.08 0.00 0.00 56.30 52.33 2cuq h ASN 12 Cb 1.20 0.10 -0.14 0.00 -2.08 0.00 0.00 38.32 37.40 2cuq h ASN 12 CO 0.42 -0.17 -0.62 -1.59 -2.08 0.00 0.00 177.43 173.38 2cuq s LYS 13 N -5.64 1.74 0.00 4.14 -2.85 -1.26 -5.16 119.74 110.71 2cuq s LYS 13 Ca -0.15 -1.96 0.02 0.00 -1.00 0.00 0.00 55.97 52.88 2cuq s LYS 13 Cb 0.04 -1.21 -0.01 0.00 -2.06 0.00 0.00 37.83 34.59 2cuq s LYS 13 CO 0.62 -0.09 -0.05 -0.59 0.10 0.00 0.00 175.35 175.34 2cuq s PHE 14 N -3.02 0.45 -0.13 1.78 -0.71 -1.26 -5.15 117.98 109.93 2cuq s PHE 14 Ca 0.35 -0.14 -0.32 0.00 -1.04 0.00 0.00 56.93 55.77 2cuq s PHE 14 Cb 0.08 -0.29 0.13 0.00 -1.21 0.00 0.00 43.02 41.73 2cuq s PHE 14 CO 0.16 -0.02 1.09 0.00 -1.34 0.00 0.00 175.22 175.11 2cuq s ALA 15 N -0.29 -1.98 0.52 1.99 0.00 -1.26 -5.15 121.76 115.59 2cuq s ALA 15 Ca 0.00 1.43 -0.21 0.00 0.00 0.00 0.00 51.96 53.19 2cuq s ALA 15 Cb -0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 2cuq s ALA 15 CO -0.00 -0.57 1.14 -1.25 0.00 0.00 0.00 175.76 175.08 2cuq s PRO 16 N -2.41 3.49 -0.02 0.00 0.04 -1.26 -4.85 135.00 129.99 2cuq s PRO 16 Ca 0.07 1.67 0.06 0.00 0.04 0.00 0.00 61.00 62.83 2cuq s PRO 16 Cb -0.01 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2cuq s PRO 16 CO -0.05 -0.75 -0.19 1.03 0.04 0.00 0.00 177.00 177.08 2cuq s ARG 17 N -3.09 1.52 -0.13 4.56 0.52 -1.26 -1.17 118.95 119.91 2cuq s ARG 17 Ca 0.70 -0.67 -0.40 0.00 -0.52 0.00 0.00 55.73 54.84 2cuq s ARG 17 Cb -0.25 -1.47 -0.18 0.00 0.52 0.00 0.00 34.95 33.57 2cuq s ARG 17 CO 0.29 0.40 1.40 0.00 0.02 0.00 0.00 175.30 177.41 2cuq h ALA 19 N 4.76 1.00 0.00 0.00 0.00 -0.36 2.40 119.26 127.07 2cuq h ALA 19 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 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 0.82 0.00 -0.63 -0.09 0.00 0.00 0.00 179.25 179.35 2cuq h ARG 20 N 0.00 0.00 0.07 0.00 9.65 -1.86 -3.43 114.38 118.81 2cuq h ARG 20 Ca 0.00 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.51 2cuq h ARG 20 Cb 0.11 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 2cuq h ARG 20 CO 0.00 0.18 -2.19 0.00 2.80 0.00 0.00 179.97 180.76 2cuq n SER 22 N -3.38 -2.46 0.00 0.00 2.88 0.81 -4.92 113.62 106.55 2cuq n SER 22 Ca -0.37 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 2cuq n SER 22 Cb 1.03 -2.99 0.00 0.00 -0.75 0.00 0.00 64.21 61.50 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 -2.74 0.00 -3.59 -1.46 4.76 -1.26 -4.75 118.16 109.12 2cuq n LYS 23 Ca -0.13 0.07 -0.10 0.00 -2.87 0.00 0.00 58.31 55.29 2cuq n LYS 23 Cb 0.58 -0.39 -0.05 0.00 -1.84 0.00 0.00 35.03 33.32 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 -0.51 0.00 -0.47 -0.18 -4.23 -1.26 -4.86 115.64 104.13 2cuq s THR 24 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 2cuq s THR 24 Cb 0.00 -1.00 0.16 0.00 1.34 0.00 0.00 72.50 73.00 2cuq s THR 24 CO 0.00 0.00 0.35 -0.76 -0.54 0.00 0.00 174.62 173.67 2cuq s LEU 25 N -0.88 2.18 -0.15 4.79 1.43 -0.31 -4.64 118.68 121.10 2cuq s LEU 25 Ca -0.00 -3.12 -0.20 0.00 -1.03 0.00 0.00 54.13 49.78 2cuq s LEU 25 Cb -0.01 -0.73 -0.24 0.00 0.03 0.00 0.00 46.19 45.24 2cuq s LEU 25 CO -0.01 -0.17 0.48 0.71 0.23 0.00 0.00 176.35 177.59 2cuq h THR 26 N 4.67 1.14 -3.11 5.49 1.35 -1.99 -3.41 112.91 117.04 2cuq h THR 26 Ca 0.20 -2.31 -0.39 0.00 -0.55 0.00 0.00 66.41 63.36 2cuq h THR 26 Cb 0.88 2.68 0.21 0.00 -1.73 0.00 0.00 68.15 70.20 2cuq h THR 26 CO 0.44 0.56 -0.08 -1.10 -0.25 0.00 0.00 175.52 175.09 2cuq s GLN 27 N -2.39 -2.63 0.29 4.72 -1.52 -1.26 -4.81 119.66 112.06 2cuq s GLN 27 Ca -0.23 0.15 0.07 0.00 -1.95 0.00 0.00 55.36 53.40 2cuq s GLN 27 Cb 0.03 -1.41 0.83 0.00 -0.22 0.00 0.00 33.01 32.24 2cuq s GLN 27 CO 0.69 -4.68 1.39 0.41 -0.25 0.00 0.00 175.29 172.85 2cuq n GLY 28 N 1.06 -1.05 1.26 3.09 0.00 -1.26 -4.87 105.19 103.41 2cuq n GLY 28 Ca 0.12 0.83 0.15 0.00 0.00 0.00 0.00 46.02 47.11 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 -1.38 -2.06 3.35 -0.02 0.00 -1.26 -5.01 105.19 98.80 2cuq n GLY 29 Ca 0.25 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.19 0.35 -0.04 1.61 -7.23 -1.18 -4.97 120.40 105.76 2cuq s VAL 30 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2cuq s VAL 30 Cb 0.00 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.46 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 -3.57 0.01 -0.24 5.32 -1.32 -1.26 -1.09 115.64 113.49 2cuq s THR 31 Ca 0.35 0.27 0.01 0.00 -1.21 0.00 0.00 61.69 61.11 2cuq s THR 31 Cb 0.05 -0.20 0.04 0.00 -1.51 0.00 0.00 72.50 70.88 2cuq s THR 31 CO 0.18 0.16 -0.11 -0.47 -2.21 0.00 0.00 174.62 172.16 2cuq s TYR 32 N 1.61 3.08 -0.73 9.09 5.04 0.32 -4.71 117.35 131.06 2cuq s TYR 32 Ca -0.02 -1.89 -0.01 0.00 -2.44 0.00 0.00 57.07 52.71 2cuq s TYR 32 Cb -0.13 -1.98 -0.01 0.00 0.35 0.00 0.00 41.96 40.20 2cuq s TYR 32 CO -0.03 -0.81 0.61 0.54 -1.34 0.00 0.00 175.55 174.52 2cuq n ARG 33 N 4.56 -3.56 -3.19 4.97 1.74 -1.26 -3.03 116.66 116.89 2cuq n ARG 33 Ca -0.16 0.53 -0.23 0.00 -0.77 0.00 0.00 57.85 57.22 2cuq n ARG 33 Cb 0.46 -4.52 0.02 0.00 -1.02 0.00 0.00 32.46 27.39 2cuq n ARG 33 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2cuq n ASP 34 N -2.39 -5.23 -3.78 0.55 9.92 -1.26 -4.97 116.55 109.39 2cuq n ASP 34 Ca -0.15 -0.35 -0.13 0.00 -0.53 0.00 0.00 54.79 53.63 2cuq n ASP 34 Cb 0.60 -4.24 -0.11 0.00 -0.64 0.00 0.00 41.12 36.73 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 -5.87 0.37 0.07 -1.24 -0.21 -1.17 -5.14 119.66 106.47 2cuq s GLN 35 Ca 0.36 0.26 -0.31 0.00 0.02 0.00 0.00 55.36 55.69 2cuq s GLN 35 Cb -0.17 0.17 -0.07 0.00 1.00 0.00 0.00 33.01 33.94 2cuq s GLN 35 CO 0.45 -0.06 1.39 -1.25 -2.12 0.00 0.00 175.29 173.70 2cuq s PRO 36 N -0.13 4.31 0.09 2.91 0.04 -1.26 0.12 135.00 141.08 2cuq s PRO 36 Ca -0.03 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.09 2cuq s PRO 36 Cb -0.03 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 2cuq s PRO 36 CO 0.01 -0.49 -0.12 -1.58 0.04 0.00 0.00 177.00 174.86 2cuq s TRP 37 N 1.65 1.16 -0.27 0.56 0.52 -0.25 0.45 118.94 122.76 2cuq s TRP 37 Ca 0.64 -0.58 -0.29 0.00 0.02 0.00 0.00 56.10 55.90 2cuq s TRP 37 Cb -0.35 -0.63 0.01 0.00 -1.15 0.00 0.00 33.47 31.35 2cuq s TRP 37 CO 0.29 0.05 1.07 -1.01 0.02 0.00 0.00 176.95 177.37 2cuq s HIS 38 N -2.05 3.22 0.47 -1.98 3.76 -1.26 -3.07 115.29 114.38 2cuq s HIS 38 Ca 0.04 1.32 0.38 0.00 -0.15 0.00 0.00 55.06 56.65 2cuq s HIS 38 Cb -0.05 -3.48 1.54 0.00 1.11 0.00 0.00 32.58 31.70 2cuq s HIS 38 CO 0.01 -0.70 1.52 0.54 -0.85 0.00 0.00 174.74 175.26 2cuq n ARG 39 N 6.59 -0.02 0.10 1.40 1.74 -1.26 0.17 116.66 125.38 2cuq n ARG 39 Ca 0.12 1.15 -0.23 0.00 -0.77 0.00 0.00 57.85 58.13 2cuq n ARG 39 Cb 0.46 -2.41 -0.15 0.00 -1.02 0.00 0.00 32.46 29.34 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 0.44 0.10 5.56 4.11 -2.02 -3.36 114.58 119.40 2cuq h GLU 40 Ca 0.88 -0.75 -0.00 0.00 0.07 0.00 0.00 59.36 59.56 2cuq h GLU 40 Cb 3.12 0.28 0.00 0.00 0.50 0.00 0.00 28.75 32.65 2cuq h GLU 40 CO -0.28 1.36 -0.05 0.00 0.07 0.00 0.00 179.01 180.11 2cuq n LEU 42 N -5.00 0.69 -3.99 0.00 7.94 0.12 -4.85 117.00 111.90 2cuq n LEU 42 Ca -0.08 -0.70 -0.08 0.00 -1.11 0.00 0.00 56.01 54.03 2cuq n LEU 42 Cb 0.21 -1.18 -0.10 0.00 0.53 0.00 0.00 43.42 42.87 2cuq n LEU 42 CO 0.32 -1.72 -0.30 0.68 -1.11 0.00 0.00 177.39 175.27 2cuq s VAL 43 N 8.98 0.16 0.58 1.96 -7.23 -1.26 -2.83 120.40 120.76 2cuq s VAL 43 Ca 1.13 -1.30 -0.19 0.00 -1.81 0.00 0.00 61.98 59.82 2cuq s VAL 43 Cb -0.56 -0.97 -0.06 0.00 0.56 0.00 0.00 36.38 35.35 2cuq s VAL 43 CO 0.34 -0.72 0.83 0.00 -0.31 0.00 0.00 175.10 175.24 2cuq n THR 45 N -1.63 1.85 0.00 0.00 -1.04 -0.66 -2.69 114.28 110.11 2cuq n THR 45 Ca 0.13 -0.93 0.00 0.00 -2.04 0.00 0.00 64.05 61.20 2cuq n THR 45 Cb 0.47 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 0.40 0.00 0.00 3.41 0.00 -1.26 -4.89 105.19 102.85 2cuq n GLY 46 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.47 -5.31 -4.14 0.00 1.13 -1.09 -4.96 117.38 101.53 2cuq n GLN 48 Ca 0.02 0.65 -0.35 0.00 -1.94 0.00 0.00 57.00 55.38 2cuq n GLN 48 Cb 0.28 -5.11 -0.08 0.00 0.11 0.00 0.00 30.24 25.44 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 -3.27 4.86 -0.43 5.09 -1.32 -1.26 -4.71 115.64 114.59 2cuq s THR 49 Ca 0.08 -0.09 -0.28 0.00 -1.21 0.00 0.00 61.69 60.19 2cuq s THR 49 Cb -0.04 -3.10 -0.01 0.00 -1.51 0.00 0.00 72.50 67.84 2cuq s THR 49 CO 0.56 0.57 1.75 -2.16 -2.21 0.00 0.00 174.62 173.14 2cuq s PRO 50 N -1.08 3.15 -0.05 7.08 0.04 -1.26 -0.65 135.00 142.23 2cuq s PRO 50 Ca 0.16 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.35 2cuq s PRO 50 Cb -0.12 -4.23 0.29 0.00 0.04 0.00 0.00 34.50 30.49 2cuq s PRO 50 CO 0.05 -2.08 1.10 1.28 0.04 0.00 0.00 177.00 177.38 2cuq n LEU 51 N 10.81 2.25 -4.51 -3.56 4.77 -1.13 -4.87 117.00 120.76 2cuq n LEU 51 Ca 0.21 -1.13 -0.36 0.00 -0.03 0.00 0.00 56.01 54.69 2cuq n LEU 51 Cb 0.49 -0.39 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 2cuq n LEU 51 CO 0.70 0.39 2.13 0.00 -1.33 0.00 0.00 177.39 179.28 2cuq n ALA 52 N 0.30 0.50 -3.04 -1.18 0.00 -1.26 0.68 120.51 116.50 2cuq n ALA 52 Ca 0.10 -0.54 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 2cuq n ALA 52 Cb 0.44 -2.53 0.04 0.00 0.00 0.00 0.00 19.45 17.40 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 6.29 -0.16 3.57 0.00 0.00 -1.26 -5.02 105.19 108.60 2cuq n GLY 53 Ca 0.59 -0.06 -0.24 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 -5.66 2.02 -0.52 1.61 0.74 0.21 -5.08 119.66 112.99 2cuq s GLN 54 Ca 0.32 -1.54 -0.28 0.00 0.05 0.00 0.00 55.36 53.91 2cuq s GLN 54 Cb -0.14 -2.01 0.02 0.00 1.10 0.00 0.00 33.01 31.98 2cuq s GLN 54 CO 0.40 0.36 1.38 1.14 -0.55 0.00 0.00 175.29 178.01 2cuq s GLN 55 N -3.52 3.41 0.34 1.67 -2.07 -1.26 -4.95 119.66 113.28 2cuq s GLN 55 Ca 0.30 0.55 -0.01 0.00 -1.82 0.00 0.00 55.36 54.38 2cuq s GLN 55 Cb -0.06 -4.08 -0.00 0.00 -1.09 0.00 0.00 33.01 27.78 2cuq s GLN 55 CO 0.17 -1.79 0.44 -0.59 -1.32 0.00 0.00 175.29 172.20 2cuq s PHE 56 N 5.71 1.15 0.02 9.60 -0.12 -1.26 -4.08 117.98 129.01 2cuq s PHE 56 Ca 0.53 -1.34 -0.00 0.00 -0.05 0.00 0.00 56.93 56.07 2cuq s PHE 56 Cb -0.11 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 2cuq s PHE 56 CO 0.27 -1.09 -0.03 -0.08 -0.05 0.00 0.00 175.22 174.24 2cuq s THR 57 N -3.13 0.13 0.03 -4.49 -1.32 -0.73 -4.95 115.64 101.18 2cuq s THR 57 Ca 0.32 -1.04 -0.10 0.00 -1.21 0.00 0.00 61.69 59.66 2cuq s THR 57 Cb 0.00 -0.45 -0.05 0.00 -1.51 0.00 0.00 72.50 70.49 2cuq s THR 57 CO 0.21 -0.57 0.35 -0.94 -2.21 0.00 0.00 174.62 171.46 2cuq s SER 58 N -1.67 6.63 -0.03 8.08 1.04 -1.26 -1.02 113.70 125.46 2cuq s SER 58 Ca -0.13 0.75 -0.01 0.00 0.48 0.00 0.00 55.95 57.05 2cuq s SER 58 Cb -0.07 -2.16 0.03 0.00 0.10 0.00 0.00 66.02 63.91 2cuq s SER 58 CO -0.02 0.25 0.05 -0.60 0.98 0.00 0.00 173.24 173.89 2cuq s ARG 59 N -1.61 -0.01 -1.63 4.02 6.06 0.85 -4.85 118.95 121.78 2cuq s ARG 59 Ca 0.28 0.19 -0.17 0.00 -2.50 0.00 0.00 55.73 53.53 2cuq s ARG 59 Cb -0.14 -0.20 0.14 0.00 0.06 0.00 0.00 34.95 34.81 2cuq s ARG 59 CO 0.15 -0.14 0.81 -0.25 -2.50 0.00 0.00 175.30 173.37 2cuq n ASP 60 N 4.01 -3.69 -2.68 -2.12 9.92 -1.26 -0.51 116.55 120.21 2cuq n ASP 60 Ca -0.25 -0.90 -0.14 0.00 -0.53 0.00 0.00 54.79 52.96 2cuq n ASP 60 Cb 0.52 -3.00 0.06 0.00 -0.64 0.00 0.00 41.12 38.06 2cuq n ASP 60 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2cuq n GLU 61 N -4.38 -5.07 -3.67 -1.24 1.02 -1.26 -5.03 120.64 101.01 2cuq n GLU 61 Ca 0.07 0.59 -0.09 0.00 -0.02 0.00 0.00 57.16 57.71 2cuq n GLU 61 Cb 0.50 -4.86 -0.09 0.00 -0.02 0.00 0.00 31.44 26.97 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 -3.62 -0.63 -0.21 1.62 1.01 0.33 -5.13 116.67 110.03 2cuq s ASP 62 Ca 0.19 1.12 -0.29 0.00 0.71 0.00 0.00 52.55 54.28 2cuq s ASP 62 Cb -0.08 1.14 -0.03 0.00 1.01 0.00 0.00 42.92 44.96 2cuq s ASP 62 CO 0.51 -0.21 1.61 -2.16 0.21 0.00 0.00 175.17 175.12 2cuq s PRO 63 N 1.77 3.82 -0.07 8.23 0.04 -1.26 -0.10 135.00 147.42 2cuq s PRO 63 Ca -0.08 1.68 0.04 0.00 0.04 0.00 0.00 61.00 62.68 2cuq s PRO 63 Cb -0.08 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2cuq s PRO 63 CO -0.15 -1.26 -0.20 0.71 0.04 0.00 0.00 177.00 176.14 2cuq s TYR 64 N 5.10 2.11 0.45 0.56 2.02 -0.19 -1.65 117.35 125.75 2cuq s TYR 64 Ca 0.71 -0.77 -0.22 0.00 -0.37 0.00 0.00 57.07 56.42 2cuq s TYR 64 Cb -0.25 -1.43 -0.09 0.00 -0.40 0.00 0.00 41.96 39.79 2cuq s TYR 64 CO 0.29 -0.31 1.05 0.00 -1.57 0.00 0.00 175.55 175.02 2cuq h VAL 66 N 1.84 0.16 -0.59 0.00 2.07 -1.92 1.08 116.25 118.90 2cuq h VAL 66 Ca -0.49 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 2cuq h VAL 66 Cb 1.22 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2cuq h VAL 66 CO 0.60 0.01 0.07 0.00 0.02 0.00 0.00 177.57 178.27 2cuq h ALA 67 N 1.27 0.78 0.17 1.67 0.00 -1.92 -2.19 119.26 119.04 2cuq h ALA 67 Ca 0.80 -0.27 -0.33 0.00 0.00 0.00 0.00 54.91 55.10 2cuq h ALA 67 Cb 3.02 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 20.60 2cuq h ALA 67 CO -0.10 0.56 -1.63 0.00 0.00 0.00 0.00 179.25 178.08 2cuq h PHE 69 N 0.10 0.43 -0.63 0.00 3.57 -0.49 0.36 116.94 120.28 2cuq h PHE 69 Ca -0.29 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 60.96 2cuq h PHE 69 Cb 2.08 -0.11 -0.16 0.00 2.79 0.00 0.00 35.95 40.55 2cuq h PHE 69 CO 0.09 0.16 0.34 0.41 -2.23 0.00 0.00 178.31 177.08 2cuq n GLY 70 N -1.27 3.44 0.00 2.40 0.00 -0.83 -3.10 105.19 105.83 2cuq n GLY 70 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.08 0.00 1.61 4.07 -0.41 -4.73 120.64 120.90 2cuq n GLU 71 Ca 0.36 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.46 2cuq n GLU 71 Cb 1.22 -0.63 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 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 -1.68 0.07 -0.25 4.31 4.32 0.11 -4.31 117.00 119.57 2cuq n LEU 72 Ca 0.00 0.27 -0.05 0.00 -0.02 0.00 0.00 56.01 56.21 2cuq n LEU 72 Cb 0.13 -0.48 0.05 0.00 -1.62 0.00 0.00 43.42 41.50 2cuq n LEU 72 CO 0.00 -0.48 1.14 -0.26 -1.22 0.00 0.00 177.39 176.57 2cuq h PHE 73 N 0.00 0.89 -3.72 -1.77 0.04 -1.71 -3.34 116.94 107.33 2cuq h PHE 73 Ca 0.00 0.01 -0.77 0.00 2.80 0.00 0.00 57.97 60.01 2cuq h PHE 73 Cb 0.00 -0.29 -0.28 0.00 2.20 0.00 0.00 35.95 37.58 2cuq h PHE 73 CO 0.00 0.58 -0.01 0.00 -0.60 0.00 0.00 178.31 178.28 2cuq s ALA 74 N -6.04 3.96 -0.22 2.45 0.00 -1.18 -4.82 121.76 115.91 2cuq s ALA 74 Ca -0.13 -3.25 -0.10 0.00 0.00 0.00 0.00 51.96 48.48 2cuq s ALA 74 Cb 0.14 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.82 2cuq s ALA 74 CO 0.77 -2.22 -0.28 0.43 0.00 0.00 0.00 175.76 174.46 2cuq n SER 75 N 3.99 1.60 0.00 0.00 7.64 -1.26 -3.53 113.62 122.06 2cuq n SER 75 Ca 0.11 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2cuq n SER 75 Cb 0.45 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 1.67 6.61 3.76 0.23 0.00 -1.26 -5.08 105.19 111.12 2cuq n GLY 76 Ca -0.43 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 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 1.27 2.13 -0.27 1.61 0.04 -1.26 -5.00 135.00 133.51 2cuq s PRO 77 Ca 0.00 1.13 -0.21 0.00 0.04 0.00 0.00 61.00 61.96 2cuq s PRO 77 Cb 0.00 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2cuq s PRO 77 CO 0.00 -1.72 0.67 -1.12 0.04 0.00 0.00 177.00 174.87 2cuq s SER 78 N -3.39 6.59 -0.02 6.66 0.01 -1.26 -5.05 113.70 117.23 2cuq s SER 78 Ca 0.61 0.65 0.05 0.00 1.31 0.00 0.00 55.95 58.57 2cuq s SER 78 Cb -0.17 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 2cuq s SER 78 CO 0.56 -0.45 -0.16 -0.44 0.41 0.00 0.00 173.24 173.16 2cuq s SER 79 N 1.53 1.98 0.00 2.44 0.01 -1.26 -5.30 113.70 113.10 2cuq s SER 79 Ca 0.27 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2cuq s SER 79 Cb -0.15 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2cuq s SER 79 CO 0.10 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.54