#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1boc s LYS 1 N 0.00 0.08 0.00 2.12 2.36 -1.26 -3.38 119.74 119.65 1boc s LYS 1 Ca 0.00 0.12 0.00 0.00 -2.55 0.00 0.00 55.97 53.54 1boc s LYS 1 Cb 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 37.83 36.81 1boc s LYS 1 CO 0.00 -0.01 0.00 -1.13 1.55 0.00 0.00 175.35 175.76 1boc n SER 2 N 2.43 0.00 -0.02 1.43 3.41 -1.26 -3.12 113.62 116.49 1boc n SER 2 Ca -0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.46 1boc n SER 2 Cb 0.57 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1boc n SER 2 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1boc h PRO 3 N 0.00 0.00 0.00 4.33 0.13 -2.04 -3.47 132.00 130.95 1boc h PRO 3 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1boc h PRO 3 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1boc h PRO 3 CO 0.00 0.00 0.06 -0.85 -0.23 0.00 0.00 178.00 176.98 1boc n GLU 4 N -2.94 0.30 0.00 0.86 0.28 -1.26 -4.97 120.64 112.91 1boc n GLU 4 Ca -0.01 -0.87 0.00 0.00 -0.16 0.00 0.00 57.16 56.12 1boc n GLU 4 Cb 0.04 -0.15 0.00 0.00 1.43 0.00 0.00 31.44 32.76 1boc n GLU 4 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1boc n GLU 5 N -0.02 -0.63 0.03 3.44 4.07 -1.26 -4.68 120.64 121.58 1boc n GLU 5 Ca -0.14 -0.35 -0.18 0.00 -0.06 0.00 0.00 57.16 56.43 1boc n GLU 5 Cb 0.71 -0.85 -0.08 0.00 -0.06 0.00 0.00 31.44 31.17 1boc n GLU 5 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1boc h LEU 6 N 0.00 0.86 0.00 4.31 5.85 -1.91 -2.25 115.31 122.16 1boc h LEU 6 Ca 0.00 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1boc h LEU 6 Cb 0.14 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1boc h LEU 6 CO 0.00 1.44 0.00 1.17 -0.34 0.00 0.00 178.44 180.71 1boc n LYS 7 N -3.86 0.47 -0.04 1.25 4.81 -1.26 -3.03 118.16 116.49 1boc n LYS 7 Ca -0.09 0.04 -0.22 0.00 -0.87 0.00 0.00 58.31 57.18 1boc n LYS 7 Cb 0.83 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 34.25 1boc n LYS 7 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1boc n GLY 8 N 0.67 -0.69 0.30 3.14 0.00 -0.91 -4.00 105.19 103.70 1boc n GLY 8 Ca 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1boc n GLY 8 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1boc h ILE 9 N -0.43 0.25 0.00 -0.61 6.09 -1.34 -0.22 117.51 121.25 1boc h ILE 9 Ca -0.39 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 1boc h ILE 9 Cb 1.70 0.25 0.00 0.00 0.47 0.00 0.00 36.82 39.24 1boc h ILE 9 CO -0.05 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.52 1boc n PHE 10 N -5.44 0.00 0.25 2.19 3.01 -1.25 -0.27 117.46 115.96 1boc n PHE 10 Ca 0.05 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.58 1boc n PHE 10 Cb 0.35 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 40.00 1boc n PHE 10 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1boc h GLU 11 N 0.00 0.00 0.00 -1.08 5.08 -1.08 1.35 114.58 118.85 1boc h GLU 11 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1boc h GLU 11 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1boc h GLU 11 CO 0.00 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.18 1boc n LYS 12 N -2.68 0.00 0.10 2.33 3.00 -0.11 -3.66 118.16 117.14 1boc n LYS 12 Ca 0.03 0.05 -0.19 0.00 -0.00 0.00 0.00 58.31 58.20 1boc n LYS 12 Cb 0.98 -0.48 -0.12 0.00 0.00 0.00 0.00 35.03 35.41 1boc n LYS 12 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1boc h TYR 13 N 0.00 0.77 0.00 5.64 -1.99 -0.26 -2.24 116.97 118.89 1boc h TYR 13 Ca 0.00 -0.50 0.00 0.00 2.00 0.00 0.00 58.73 60.23 1boc h TYR 13 Cb 0.00 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 38.68 1boc h TYR 13 CO 0.00 1.36 0.10 0.00 -0.00 0.00 0.00 178.16 179.62 1boc h ALA 14 N 0.46 1.10 0.00 3.88 0.00 0.18 0.17 119.26 125.05 1boc h ALA 14 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1boc h ALA 14 Cb 1.90 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1boc h ALA 14 CO 0.22 -0.10 -1.58 -3.47 0.00 0.00 0.00 179.25 174.32 1boc n ASP 15 N -3.02 0.59 -0.32 0.00 2.03 -0.93 0.15 116.55 115.05 1boc n ASP 15 Ca -0.03 0.25 0.18 0.00 0.52 0.00 0.00 54.79 55.71 1boc n ASP 15 Cb 0.16 0.66 0.36 0.00 -0.72 0.00 0.00 41.12 41.58 1boc n ASP 15 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1boc h LYS 16 N 0.00 0.09 0.00 -0.67 1.63 -0.05 -3.29 116.57 114.29 1boc h LYS 16 Ca -0.16 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.61 1boc h LYS 16 Cb 1.46 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 33.04 1boc h LYS 16 CO 0.03 0.06 -0.09 0.39 -3.45 0.00 0.00 179.45 176.39 1boc n GLU 17 N -5.32 0.00 -0.61 1.90 1.02 -1.25 -4.92 120.64 111.46 1boc n GLU 17 Ca 0.26 -0.26 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1boc n GLU 17 Cb 0.85 0.08 0.04 0.00 -0.02 0.00 0.00 31.44 32.40 1boc n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1boc n GLY 18 N 0.01 1.72 3.82 0.62 0.00 -0.39 -4.99 105.19 105.96 1boc n GLY 18 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1boc n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1boc n ASP 19 N -0.25 0.00 0.00 1.61 -0.08 -0.55 -2.91 116.55 114.36 1boc n ASP 19 Ca 0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1boc n ASP 19 Cb 0.77 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.23 1boc n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1boc n GLY 20 N 0.00 2.05 0.89 0.27 0.00 0.40 -4.28 105.19 104.51 1boc n GLY 20 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1boc n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1boc n ASN 21 N 0.00 2.86 -3.89 1.61 3.02 -1.23 -1.50 115.26 116.12 1boc n ASN 21 Ca 0.00 -1.93 -0.09 0.00 -0.03 0.00 0.00 54.58 52.53 1boc n ASN 21 Cb 0.00 0.07 -0.07 0.00 -0.61 0.00 0.00 39.78 39.16 1boc n ASN 21 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1boc s GLN 22 N -2.07 0.86 0.05 3.52 1.11 -1.15 -3.53 119.66 118.45 1boc s GLN 22 Ca 0.27 -1.01 0.01 0.00 0.01 0.00 0.00 55.36 54.63 1boc s GLN 22 Cb 0.20 0.33 -0.00 0.00 -1.01 0.00 0.00 33.01 32.53 1boc s GLN 22 CO 0.34 -0.27 0.02 1.28 0.01 0.00 0.00 175.29 176.67 1boc n LEU 23 N -0.06 0.00 -3.72 2.90 4.77 0.84 -4.31 117.00 117.42 1boc n LEU 23 Ca -0.14 -0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 55.34 1boc n LEU 23 Cb 0.62 0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 1boc n LEU 23 CO 0.23 -0.06 0.34 -0.44 -1.33 0.00 0.00 177.39 176.13 1boc s SER 24 N -1.33 -0.31 0.51 -1.43 0.01 -1.25 -0.70 113.70 109.19 1boc s SER 24 Ca 0.03 -0.44 0.27 0.00 1.31 0.00 0.00 55.95 57.12 1boc s SER 24 Cb 0.00 0.62 1.36 0.00 0.21 0.00 0.00 66.02 68.21 1boc s SER 24 CO 0.02 -1.11 2.02 0.50 0.41 0.00 0.00 173.24 175.08 1boc h LYS 25 N 2.11 0.00 0.00 12.44 3.64 -1.93 -1.57 116.57 131.26 1boc h LYS 25 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1boc h LYS 25 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1boc h LYS 25 CO 0.34 0.13 0.00 0.39 -2.27 0.00 0.00 179.45 178.04 1boc n GLU 26 N -3.54 0.72 0.00 1.90 4.71 -1.26 -3.09 120.64 120.08 1boc n GLU 26 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1boc n GLU 26 Cb 0.28 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 1boc n GLU 26 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1boc n GLU 27 N -1.02 0.81 0.00 3.49 1.02 -0.61 -4.71 120.64 119.62 1boc n GLU 27 Ca 0.18 -0.73 -0.16 0.00 -0.02 0.00 0.00 57.16 56.43 1boc n GLU 27 Cb 0.09 -0.68 -0.14 0.00 -0.02 0.00 0.00 31.44 30.69 1boc n GLU 27 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1boc h LEU 28 N 0.00 0.26 -0.13 -4.62 5.85 -1.44 -3.33 115.31 111.90 1boc h LEU 28 Ca 0.00 -0.54 0.04 0.00 0.84 0.00 0.00 57.88 58.21 1boc h LEU 28 Cb 0.72 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1boc h LEU 28 CO 0.00 1.48 -0.10 0.50 -0.34 0.00 0.00 178.44 179.99 1boc h LYS 29 N 0.04 -0.10 -0.04 1.25 3.64 -1.85 0.17 116.57 119.69 1boc h LYS 29 Ca -0.35 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1boc h LYS 29 Cb 2.03 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1boc h LYS 29 CO 0.10 -0.07 0.07 -0.07 -2.27 0.00 0.00 179.45 177.21 1boc h LEU 30 N -0.10 0.00 0.32 5.20 4.07 -1.85 -1.84 115.31 121.11 1boc h LEU 30 Ca 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1boc h LEU 30 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1boc h LEU 30 CO -0.20 0.00 -0.16 -0.07 -1.08 0.00 0.00 178.44 176.94 1boc h LEU 31 N 0.00 -0.37 -0.17 1.67 3.38 -1.06 -2.19 115.31 116.57 1boc h LEU 31 Ca 0.02 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1boc h LEU 31 Cb 0.16 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1boc h LEU 31 CO -0.00 -0.24 -0.04 -0.07 0.09 0.00 0.00 178.44 178.19 1boc h LEU 32 N -0.49 -0.14 -1.90 1.67 4.07 -1.41 0.11 115.31 117.22 1boc h LEU 32 Ca -0.04 0.05 0.39 0.00 0.08 0.00 0.00 57.88 58.35 1boc h LEU 32 Cb 0.33 0.10 -0.06 0.00 1.08 0.00 0.00 40.66 42.11 1boc h LEU 32 CO 0.07 -0.05 0.95 1.56 -1.08 0.00 0.00 178.44 179.89 1boc h GLN 33 N 0.01 0.04 0.14 1.13 4.20 -1.36 3.97 115.11 123.24 1boc h GLN 33 Ca 0.08 -0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.50 1boc h GLN 33 Cb 0.12 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.90 1boc h GLN 33 CO -0.17 0.03 -1.34 1.15 -0.67 0.00 0.00 178.83 177.83 1boc h THR 34 N 0.04 1.40 0.00 -0.54 2.02 -0.34 -3.38 112.91 112.11 1boc h THR 34 Ca 0.66 -2.97 -0.05 0.00 0.77 0.00 0.00 66.41 64.82 1boc h THR 34 Cb 2.51 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 71.83 1boc h THR 34 CO -0.06 0.87 -0.72 -0.62 0.37 0.00 0.00 175.52 175.35 1boc n GLU 35 N -3.53 0.17 -3.34 6.66 -0.58 0.40 -4.91 120.64 115.50 1boc n GLU 35 Ca -0.11 0.07 -0.26 0.00 -0.42 0.00 0.00 57.16 56.44 1boc n GLU 35 Cb 1.04 -0.80 -0.08 0.00 -0.57 0.00 0.00 31.44 31.03 1boc n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1boc n PHE 36 N -3.66 1.82 0.22 -0.32 3.72 1.22 -4.93 117.46 115.52 1boc n PHE 36 Ca -0.09 -3.89 0.17 0.00 -0.05 0.00 0.00 57.45 53.60 1boc n PHE 36 Cb 0.32 -0.45 0.75 0.00 -0.94 0.00 0.00 39.48 39.17 1boc n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1boc h PRO 37 N 4.20 0.00 -0.02 -1.08 0.11 -0.38 -1.32 132.00 133.50 1boc h PRO 37 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1boc h PRO 37 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1boc h PRO 37 CO 0.66 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 1boc n SER 38 N -3.26 0.17 -0.03 -2.05 3.41 -1.26 -3.51 113.62 107.09 1boc n SER 38 Ca 0.03 -1.61 0.12 0.00 -0.26 0.00 0.00 58.87 57.14 1boc n SER 38 Cb 0.53 -0.01 0.68 0.00 -0.26 0.00 0.00 64.21 65.14 1boc n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1boc n LEU 39 N -0.60 0.09 0.00 1.04 4.32 -0.50 -4.81 117.00 116.55 1boc n LEU 39 Ca 0.10 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1boc n LEU 39 Cb 0.07 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1boc n LEU 39 CO 0.08 0.02 0.00 0.18 -1.22 0.00 0.00 177.39 176.45 1boc n LEU 40 N -0.80 0.00 -1.40 2.23 4.77 -1.23 -1.75 117.00 118.82 1boc n LEU 40 Ca 0.17 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1boc n LEU 40 Cb 0.09 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1boc n LEU 40 CO 0.13 0.00 -0.14 0.29 -1.33 0.00 0.00 177.39 176.34 1boc n LYS 41 N 0.00 -1.48 -0.92 3.23 4.76 -1.26 -4.61 118.16 117.88 1boc n LYS 41 Ca 0.00 1.43 0.00 0.00 -2.87 0.00 0.00 58.31 56.87 1boc n LYS 41 Cb 0.00 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 1boc n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1boc n GLY 42 N 0.52 0.94 0.00 0.72 0.00 -1.26 -4.57 105.19 101.55 1boc n GLY 42 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1boc n GLY 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1boc n MET 43 N -2.04 0.00 -3.37 1.61 2.81 -1.26 -5.04 117.12 109.82 1boc n MET 43 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.72 1boc n MET 43 Cb 0.00 -0.22 0.08 0.00 -0.71 0.00 0.00 33.22 32.37 1boc n MET 43 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1boc n SER 44 N -1.31 -3.02 0.00 7.83 3.41 -1.26 -4.64 113.62 114.64 1boc n SER 44 Ca 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 1boc n SER 44 Cb 0.00 -4.78 0.00 0.00 -0.26 0.00 0.00 64.21 59.17 1boc n SER 44 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1boc n THR 45 N -4.13 0.00 0.00 6.66 5.66 -1.26 -4.99 114.28 116.22 1boc n THR 45 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1boc n THR 45 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1boc n THR 45 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1boc n LEU 46 N 0.00 0.00 0.00 1.09 -0.00 -0.71 -4.04 117.00 113.34 1boc n LEU 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1boc n LEU 46 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1boc n LEU 46 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.86 1boc n ASP 47 N 1.91 0.00 -1.65 1.96 8.00 -1.26 -4.99 116.55 120.51 1boc n ASP 47 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1boc n ASP 47 Cb 0.00 0.13 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1boc n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1boc n GLU 48 N -1.64 0.41 0.20 -1.24 1.02 -1.26 -4.87 120.64 113.25 1boc n GLU 48 Ca 0.00 -1.73 0.06 0.00 -0.02 0.00 0.00 57.16 55.48 1boc n GLU 48 Cb 0.00 0.03 0.38 0.00 -0.02 0.00 0.00 31.44 31.82 1boc n GLU 48 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1boc h LEU 49 N 0.85 0.00 0.11 -4.62 7.12 -1.95 -1.74 115.31 115.08 1boc h LEU 49 Ca -0.37 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.45 1boc h LEU 49 Cb 1.56 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.70 1boc h LEU 49 CO -0.07 0.34 -0.87 0.15 -0.13 0.00 0.00 178.44 177.86 1boc h PHE 50 N 0.00 0.41 -0.56 1.25 3.57 -1.89 -3.31 116.94 116.40 1boc h PHE 50 Ca -0.00 -0.30 -0.06 0.00 3.53 0.00 0.00 57.97 61.13 1boc h PHE 50 Cb 0.83 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1boc h PHE 50 CO 0.00 1.34 0.10 1.49 -2.23 0.00 0.00 178.31 179.01 1boc h GLU 51 N -0.48 0.89 0.00 1.11 4.81 -1.89 -1.07 114.58 117.95 1boc h GLU 51 Ca -0.17 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1boc h GLU 51 Cb 1.56 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.82 1boc h GLU 51 CO 0.09 0.83 0.00 -1.91 -0.73 0.00 0.00 179.01 177.28 1boc n GLU 52 N -4.25 0.13 -0.00 1.92 2.13 -0.66 -1.69 120.64 118.22 1boc n GLU 52 Ca 0.04 0.21 0.01 0.00 0.66 0.00 0.00 57.16 58.08 1boc n GLU 52 Cb 0.26 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.48 1boc n GLU 52 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1boc n LEU 53 N -1.32 1.22 -4.78 4.31 4.77 -0.47 -4.89 117.00 115.84 1boc n LEU 53 Ca 0.05 -1.00 -0.37 0.00 -0.03 0.00 0.00 56.01 54.65 1boc n LEU 53 Cb 0.09 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1boc n LEU 53 CO 0.08 0.28 0.78 -0.62 -1.33 0.00 0.00 177.39 176.58 1boc s ASP 54 N -0.22 6.59 0.00 -1.43 2.15 -0.68 -4.60 116.67 118.49 1boc s ASP 54 Ca 0.03 2.17 -0.00 0.00 0.43 0.00 0.00 52.55 55.18 1boc s ASP 54 Cb 0.02 -2.60 -0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1boc s ASP 54 CO 0.03 -0.61 -0.00 0.29 -0.17 0.00 0.00 175.17 174.71 1boc n LYS 55 N -0.09 0.00 0.00 4.34 5.02 -1.26 -4.91 118.16 121.26 1boc n LYS 55 Ca 0.05 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.35 1boc n LYS 55 Cb 0.48 -0.01 -0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1boc n LYS 55 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1boc n ASN 56 N -2.51 0.61 -0.20 4.39 2.04 -1.26 -5.01 115.26 113.31 1boc n ASN 56 Ca -0.00 -0.81 0.00 0.00 -0.44 0.00 0.00 54.58 53.33 1boc n ASN 56 Cb 0.00 0.49 0.00 0.00 -2.53 0.00 0.00 39.78 37.74 1boc n ASN 56 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1boc n GLY 57 N 0.55 0.81 0.00 4.83 0.00 -1.26 -5.02 105.19 105.10 1boc n GLY 57 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1boc n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1boc n ASP 58 N -0.20 0.91 -0.79 1.61 5.75 -1.26 -4.99 116.55 117.58 1boc n ASP 58 Ca 0.00 -1.22 -0.08 0.00 -0.01 0.00 0.00 54.79 53.48 1boc n ASP 58 Cb 0.07 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.15 1boc n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1boc n GLY 59 N -0.11 0.29 3.45 6.12 0.00 -1.26 -5.03 105.19 108.65 1boc n GLY 59 Ca 0.00 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 1boc n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1boc s GLU 60 N -3.93 1.61 -0.27 1.61 2.12 -1.26 -3.52 118.70 115.06 1boc s GLU 60 Ca 0.00 -1.74 -0.02 0.00 0.36 0.00 0.00 54.97 53.57 1boc s GLU 60 Cb 0.00 -1.60 0.12 0.00 0.26 0.00 0.00 34.13 32.91 1boc s GLU 60 CO 0.00 0.27 0.28 0.08 -0.54 0.00 0.00 175.26 175.35 1boc s VAL 61 N -2.64 -0.38 0.95 3.70 1.01 0.12 -4.61 120.40 118.55 1boc s VAL 61 Ca 0.29 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1boc s VAL 61 Cb -0.03 -0.90 0.16 0.00 0.00 0.00 0.00 36.38 35.61 1boc s VAL 61 CO 0.13 -0.39 1.16 -0.94 0.00 0.00 0.00 175.10 175.06 1boc s SER 62 N 2.35 3.12 0.00 3.32 1.04 -1.26 -0.11 113.70 122.16 1boc s SER 62 Ca 0.09 0.84 0.07 0.00 0.48 0.00 0.00 55.95 57.43 1boc s SER 62 Cb -0.15 -1.31 0.31 0.00 0.10 0.00 0.00 66.02 64.98 1boc s SER 62 CO -0.27 -2.78 1.22 0.33 0.98 0.00 0.00 173.24 172.72 1boc n PHE 63 N -3.90 0.00 -0.01 5.02 7.35 -1.23 -1.51 117.46 123.18 1boc n PHE 63 Ca 0.08 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.66 1boc n PHE 63 Cb 0.59 -0.48 0.01 0.00 0.35 0.00 0.00 39.48 39.95 1boc n PHE 63 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1boc h GLU 64 N 0.00 0.63 0.00 -4.13 4.57 -1.92 -3.23 114.58 110.51 1boc h GLU 64 Ca 0.00 -0.43 -0.17 0.00 -1.18 0.00 0.00 59.36 57.57 1boc h GLU 64 Cb 0.12 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1boc h GLU 64 CO 0.00 1.05 -1.86 0.39 -1.18 0.00 0.00 179.01 177.41 1boc n GLU 65 N -3.94 0.65 0.00 1.92 4.71 -0.85 -3.98 120.64 119.15 1boc n GLU 65 Ca -0.04 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1boc n GLU 65 Cb 0.65 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 29.44 1boc n GLU 65 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1boc n PHE 66 N -2.66 0.00 0.10 -0.32 7.35 -0.57 -2.48 117.46 118.88 1boc n PHE 66 Ca -0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 1boc n PHE 66 Cb 0.85 -0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.65 1boc n PHE 66 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1boc h GLN 67 N 0.03 0.00 -1.20 -4.13 1.08 -1.68 -3.18 115.11 106.02 1boc h GLN 67 Ca 0.00 0.00 0.35 0.00 -1.45 0.00 0.00 58.65 57.55 1boc h GLN 67 Cb 0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1boc h GLN 67 CO 0.00 0.50 0.96 0.28 -0.95 0.00 0.00 178.83 179.62 1boc h VAL 68 N 0.00 0.26 -0.05 -0.54 2.07 -1.79 2.32 116.25 118.51 1boc h VAL 68 Ca -0.05 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 1boc h VAL 68 Cb 1.50 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1boc h VAL 68 CO 0.07 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 177.44 1boc h LEU 69 N 0.00 0.23 -0.04 2.57 -0.00 -1.82 -1.59 115.31 114.66 1boc h LEU 69 Ca 0.57 -0.60 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1boc h LEU 69 Cb 2.49 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 43.08 1boc h LEU 69 CO -0.01 0.79 0.00 1.33 -0.00 0.00 0.00 178.44 180.55 1boc n VAL 70 N -4.61 1.48 -0.15 1.22 0.24 0.74 -1.29 118.33 115.96 1boc n VAL 70 Ca -0.08 0.38 0.29 0.00 -2.04 0.00 0.00 64.34 62.89 1boc n VAL 70 Cb 0.39 -1.26 0.68 0.00 -1.47 0.00 0.00 33.84 32.18 1boc n VAL 70 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1boc h LYS 71 N 0.00 0.00 0.00 7.34 2.10 0.80 -3.43 116.57 123.38 1boc h LYS 71 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1boc h LYS 71 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1boc h LYS 71 CO 0.00 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.08 1boc n LYS 72 N -3.78 0.00 0.09 0.07 4.01 -0.41 -5.00 118.16 113.15 1boc n LYS 72 Ca 0.19 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.94 1boc n LYS 72 Cb 1.10 0.00 0.13 0.00 -0.51 0.00 0.00 35.03 35.74 1boc n LYS 72 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1boc h ILE 73 N 0.00 1.40 0.00 -0.18 1.08 -1.71 -3.35 117.51 114.76 1boc h ILE 73 Ca 0.00 -2.03 0.00 0.00 -0.39 0.00 0.00 64.86 62.44 1boc h ILE 73 Cb 0.00 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 1boc h ILE 73 CO 0.00 0.60 0.00 -1.20 -0.69 0.00 0.00 178.15 176.86 1boc n SER 74 N -3.85 0.00 0.00 1.72 7.64 -1.18 -5.04 113.62 112.91 1boc n SER 74 Ca -0.02 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1boc n SER 74 Cb 0.62 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1boc n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70