#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b22 n GLU 17 N 0.00 0.00 -0.98 5.31 0.28 -1.26 -4.44 120.64 119.56 1b22 n GLU 17 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 1b22 n GLU 17 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1b22 n GLU 17 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1b22 n GLU 18 N 0.00 -1.97 -3.81 3.44 2.13 -1.26 -4.65 120.64 114.51 1b22 n GLU 18 Ca 0.00 1.31 -0.34 0.00 0.66 0.00 0.00 57.16 58.79 1b22 n GLU 18 Cb 0.00 -2.40 -0.11 0.00 0.27 0.00 0.00 31.44 29.19 1b22 n GLU 18 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1b22 s SER 19 N -5.55 4.93 -1.27 4.31 0.01 -1.26 -4.92 113.70 109.95 1b22 s SER 19 Ca 0.00 -2.78 -0.07 0.00 1.31 0.00 0.00 55.95 54.40 1b22 s SER 19 Cb 0.00 -1.77 0.17 0.00 0.21 0.00 0.00 66.02 64.63 1b22 s SER 19 CO 0.00 -0.34 1.99 0.33 0.41 0.00 0.00 173.24 175.63 1b22 n PHE 20 N 3.52 2.75 -3.40 2.43 -0.00 -1.26 -4.55 117.46 116.95 1b22 n PHE 20 Ca 0.06 -2.77 -0.19 0.00 -0.00 0.00 0.00 57.45 54.55 1b22 n PHE 20 Cb 0.37 -1.83 0.08 0.00 -0.00 0.00 0.00 39.48 38.09 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1b22 n GLY 21 N 2.27 -0.35 3.61 7.13 0.00 -1.26 -3.72 105.19 112.88 1b22 n GLY 21 Ca 0.45 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 46.15 1b22 n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b22 s PRO 22 N -5.75 3.71 0.02 1.61 0.04 -1.26 -4.20 135.00 129.17 1b22 s PRO 22 Ca 0.29 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1b22 s PRO 22 Cb -0.13 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1b22 s PRO 22 CO 0.66 -1.39 0.00 1.04 0.04 0.00 0.00 177.00 177.35 1b22 n GLN 23 N 7.77 0.00 -0.76 4.56 3.00 -1.26 -4.64 117.38 126.05 1b22 n GLN 23 Ca 0.16 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.96 1b22 n GLN 23 Cb 0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 30.24 30.65 1b22 n GLN 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1b22 n PRO 24 N -2.59 2.01 0.08 -1.09 -0.04 -1.26 0.22 135.00 132.33 1b22 n PRO 24 Ca 0.00 -1.30 0.13 0.00 -0.04 0.00 0.00 63.50 62.29 1b22 n PRO 24 Cb 0.00 -2.31 0.45 0.00 -0.04 0.00 0.00 33.50 31.60 1b22 n PRO 24 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1b22 n ILE 25 N 3.75 0.47 0.34 0.52 -0.00 -1.26 -3.97 119.36 119.21 1b22 n ILE 25 Ca 0.43 -0.21 -0.13 0.00 -0.00 0.00 0.00 62.75 62.84 1b22 n ILE 25 Cb 0.25 -0.58 -0.06 0.00 -0.00 0.00 0.00 39.64 39.25 1b22 n ILE 25 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1b22 h SER 26 N 0.00 -0.72 -1.47 4.38 4.64 -1.76 -2.63 113.55 115.99 1b22 h SER 26 Ca 0.00 0.02 0.48 0.00 -0.47 0.00 0.00 61.79 61.82 1b22 h SER 26 Cb 0.68 0.19 -0.11 0.00 -0.31 0.00 0.00 62.40 62.84 1b22 h SER 26 CO 0.00 -0.51 0.99 -1.14 -0.87 0.00 0.00 176.83 175.30 1b22 n ARG 27 N -4.30 -0.02 0.00 4.77 0.63 -1.25 0.18 116.66 116.66 1b22 n ARG 27 Ca -0.11 1.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.96 1b22 n ARG 27 Cb 0.34 -2.34 0.00 0.00 0.45 0.00 0.00 32.46 30.90 1b22 n ARG 27 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1b22 n LEU 28 N -4.36 0.52 0.09 6.15 7.99 -1.00 -2.59 117.00 123.80 1b22 n LEU 28 Ca 0.39 0.53 -0.12 0.00 -0.01 0.00 0.00 56.01 56.80 1b22 n LEU 28 Cb 1.61 -0.15 -0.10 0.00 -0.11 0.00 0.00 43.42 44.67 1b22 n LEU 28 CO 0.25 -0.15 0.08 1.05 -1.51 0.00 0.00 177.39 177.10 1b22 h GLU 29 N 0.00 0.22 -0.11 3.23 -0.00 -1.38 -2.98 114.58 113.56 1b22 h GLU 29 Ca 0.00 -0.32 -0.01 0.00 -0.00 0.00 0.00 59.36 59.03 1b22 h GLU 29 Cb 0.00 0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 28.86 1b22 h GLU 29 CO 0.00 1.11 0.03 -0.56 -0.00 0.00 0.00 179.01 179.59 1b22 h GLN 30 N 0.08 0.15 0.00 1.06 3.07 0.17 0.25 115.11 119.88 1b22 h GLN 30 Ca -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.64 1b22 h GLN 30 Cb 1.79 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 29.32 1b22 h GLN 30 CO 0.17 0.14 0.00 0.00 0.09 0.00 0.00 178.83 179.24 1b22 n GLY 32 N 1.15 0.80 0.00 0.00 0.00 0.86 -5.07 105.19 102.92 1b22 n GLY 32 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1b22 n GLY 32 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1b22 n ILE 33 N 0.00 0.00 -0.21 -0.61 3.06 -1.13 -4.96 119.36 115.51 1b22 n ILE 33 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1b22 n ILE 33 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1b22 n ILE 33 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1b22 n ASN 34 N 0.00 -0.14 -0.40 9.51 5.03 -1.26 -4.73 115.26 123.27 1b22 n ASN 34 Ca 0.00 -0.21 0.39 0.00 0.87 0.00 0.00 54.58 55.63 1b22 n ASN 34 Cb 0.00 0.00 0.65 0.00 -1.02 0.00 0.00 39.78 39.41 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1b22 h ALA 35 N -2.00 3.29 -2.17 5.41 0.00 -1.96 -2.95 119.26 118.88 1b22 h ALA 35 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b22 h ALA 35 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1b22 h ALA 35 CO 0.00 -1.92 0.00 0.09 0.00 0.00 0.00 179.25 177.42 1b22 n ASN 36 N -3.66 0.00 -0.11 0.00 3.02 -1.26 -1.14 115.26 112.12 1b22 n ASN 36 Ca 0.31 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 1b22 n ASN 36 Cb 1.63 -0.11 0.02 0.00 -0.61 0.00 0.00 39.78 40.71 1b22 n ASN 36 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1b22 n ASP 37 N -1.44 -0.16 0.00 6.41 -0.08 -1.12 0.25 116.55 120.42 1b22 n ASP 37 Ca 0.00 0.51 0.00 0.00 -1.51 0.00 0.00 54.79 53.79 1b22 n ASP 37 Cb 0.00 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1b22 n ASP 37 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1b22 n VAL 38 N -4.45 0.00 0.35 5.18 0.31 -0.29 -2.73 118.33 116.70 1b22 n VAL 38 Ca 0.04 1.31 0.12 0.00 -0.01 0.00 0.00 64.34 65.79 1b22 n VAL 38 Cb 0.13 -2.27 0.10 0.00 -0.91 0.00 0.00 33.84 30.90 1b22 n VAL 38 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1b22 h LYS 39 N 0.00 0.00 0.04 5.55 5.09 -0.63 -2.87 116.57 123.76 1b22 h LYS 39 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 1b22 h LYS 39 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1b22 h LYS 39 CO 0.00 0.00 -0.02 -0.22 -2.09 0.00 0.00 179.45 177.12 1b22 h LYS 40 N 0.00 -0.05 0.00 0.07 3.64 0.33 -3.01 116.57 117.55 1b22 h LYS 40 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1b22 h LYS 40 Cb 0.87 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1b22 h LYS 40 CO 0.00 -0.03 -0.03 1.37 -2.27 0.00 0.00 179.45 178.49 1b22 h LEU 41 N -0.73 0.00 0.13 5.20 8.10 -1.45 -2.93 115.31 123.62 1b22 h LEU 41 Ca -0.01 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 57.64 1b22 h LEU 41 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.25 1b22 h LEU 41 CO 0.01 0.03 -1.80 -0.08 -4.11 0.00 0.00 178.44 172.49 1b22 h GLU 42 N 0.00 0.28 0.00 0.17 4.81 -1.30 0.31 114.58 118.85 1b22 h GLU 42 Ca -0.00 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1b22 h GLU 42 Cb 0.91 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1b22 h GLU 42 CO 0.00 1.15 0.00 0.39 -0.73 0.00 0.00 179.01 179.83 1b22 n GLU 43 N -3.46 0.77 0.00 1.92 -0.58 -1.14 -4.48 120.64 113.67 1b22 n GLU 43 Ca -0.25 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 1b22 n GLU 43 Cb 1.06 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 1b22 n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b22 n ALA 44 N -0.81 0.00 -0.26 0.62 0.00 -1.23 -5.05 120.51 113.77 1b22 n ALA 44 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1b22 n ALA 44 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1b22 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b22 n GLY 45 N -1.00 0.61 0.46 0.00 0.00 0.11 -4.96 105.19 100.40 1b22 n GLY 45 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1b22 n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b22 n PHE 46 N -0.16 0.00 -0.93 1.61 3.72 -1.24 -4.69 117.46 115.77 1b22 n PHE 46 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1b22 n PHE 46 Cb 0.07 -0.08 -0.10 0.00 -0.94 0.00 0.00 39.48 38.43 1b22 n PHE 46 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1b22 n HIS 47 N 0.01 0.72 0.00 1.38 1.44 -1.26 -4.21 115.22 113.30 1b22 n HIS 47 Ca 0.00 -0.76 0.00 0.00 -2.01 0.00 0.00 57.72 54.95 1b22 n HIS 47 Cb 0.20 -1.41 0.00 0.00 0.12 0.00 0.00 29.99 28.90 1b22 n HIS 47 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 1b22 n THR 48 N 7.25 0.00 -0.18 0.61 5.66 -1.26 -4.01 114.28 122.35 1b22 n THR 48 Ca 0.46 0.00 0.27 0.00 -3.05 0.00 0.00 64.05 61.74 1b22 n THR 48 Cb 0.43 0.00 0.47 0.00 -1.55 0.00 0.00 70.33 69.68 1b22 n THR 48 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 1b22 h VAL 49 N 2.06 0.04 -1.44 1.08 3.04 0.24 -1.72 116.25 119.56 1b22 h VAL 49 Ca 0.00 0.00 0.44 0.00 -1.01 0.00 0.00 66.70 66.13 1b22 h VAL 49 Cb 0.00 0.08 -0.08 0.00 -2.01 0.00 0.00 31.29 29.28 1b22 h VAL 49 CO 0.00 0.00 1.01 -0.62 -1.01 0.00 0.00 177.57 176.95 1b22 n GLU 50 N -3.30 -0.01 0.33 4.17 1.02 -1.26 0.15 120.64 121.74 1b22 n GLU 50 Ca 0.22 0.91 0.14 0.00 -0.02 0.00 0.00 57.16 58.41 1b22 n GLU 50 Cb 1.44 -2.00 0.71 0.00 -0.02 0.00 0.00 31.44 31.57 1b22 n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b22 h ALA 51 N 0.95 1.44 -4.17 0.62 0.00 -1.48 -3.36 119.26 113.27 1b22 h ALA 51 Ca 0.74 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 55.17 1b22 h ALA 51 Cb 2.79 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 20.30 1b22 h ALA 51 CO -0.13 -0.43 -0.81 0.54 0.00 0.00 0.00 179.25 178.42 1b22 s VAL 52 N -4.10 1.11 -0.81 0.00 0.11 0.40 -4.80 120.40 112.31 1b22 s VAL 52 Ca -0.03 -0.63 -0.02 0.00 -2.93 0.00 0.00 61.98 58.37 1b22 s VAL 52 Cb 0.08 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1b22 s VAL 52 CO 0.25 0.29 0.69 0.00 -3.33 0.00 0.00 175.10 172.99 1b22 n ALA 53 N 2.66 -1.16 0.02 1.54 0.00 -1.26 -4.87 120.51 117.44 1b22 n ALA 53 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1b22 n ALA 53 Cb 0.55 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1b22 n ALA 53 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1b22 n TYR 54 N -3.39 -2.44 -4.14 0.00 9.36 -1.26 -4.99 117.16 110.29 1b22 n TYR 54 Ca -0.12 0.13 -0.15 0.00 3.32 0.00 0.00 57.90 61.08 1b22 n TYR 54 Cb 0.59 0.78 -0.12 0.00 -0.63 0.00 0.00 39.34 39.95 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1b22 s ALA 55 N -1.18 0.67 -0.09 2.98 0.00 -1.26 -5.11 121.76 117.77 1b22 s ALA 55 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 1b22 s ALA 55 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1b22 s ALA 55 CO 0.00 0.06 1.45 -1.25 0.00 0.00 0.00 175.76 176.02 1b22 s PRO 56 N -1.16 4.22 0.49 0.00 0.04 -1.26 -4.86 135.00 132.47 1b22 s PRO 56 Ca -0.05 1.93 0.42 0.00 0.04 0.00 0.00 61.00 63.34 1b22 s PRO 56 Cb -0.08 -3.83 1.57 0.00 0.04 0.00 0.00 34.50 32.20 1b22 s PRO 56 CO 0.01 -0.75 1.49 0.36 0.04 0.00 0.00 177.00 178.15 1b22 n LYS 57 N 6.65 -0.01 0.19 4.56 2.85 -1.26 0.22 118.16 131.36 1b22 n LYS 57 Ca 0.15 1.09 0.06 0.00 -1.05 0.00 0.00 58.31 58.56 1b22 n LYS 57 Cb 0.44 -2.38 0.38 0.00 -0.65 0.00 0.00 35.03 32.82 1b22 n LYS 57 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1b22 h LYS 58 N 0.00 0.00 0.00 -1.58 1.57 -1.89 -2.75 116.57 111.92 1b22 h LYS 58 Ca 0.88 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.63 1b22 h LYS 58 Cb 3.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 35.59 1b22 h LYS 58 CO -0.17 0.35 -0.17 1.49 -0.57 0.00 0.00 179.45 180.38 1b22 h GLU 59 N 0.00 0.00 0.36 3.15 4.81 0.23 -2.72 114.58 120.40 1b22 h GLU 59 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1b22 h GLU 59 Cb 0.80 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1b22 h GLU 59 CO 0.05 0.91 -0.45 1.25 -0.73 0.00 0.00 179.01 180.04 1b22 h LEU 60 N -1.00 -1.26 -1.91 1.64 5.85 -1.58 0.13 115.31 117.17 1b22 h LEU 60 Ca -0.05 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1b22 h LEU 60 Cb 0.96 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1b22 h LEU 60 CO -0.03 -0.56 0.47 0.16 -0.34 0.00 0.00 178.44 178.14 1b22 h ILE 61 N -0.83 0.29 0.00 4.05 -0.00 -1.64 0.46 117.51 119.84 1b22 h ILE 61 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.82 1b22 h ILE 61 Cb 0.74 0.61 0.00 0.00 -0.00 0.00 0.00 36.82 38.17 1b22 h ILE 61 CO -0.10 0.00 0.34 -3.20 -0.00 0.00 0.00 178.15 175.19 1b22 n ASN 62 N -3.55 0.28 0.00 2.16 5.15 0.44 -1.09 115.26 118.65 1b22 n ASN 62 Ca 0.07 0.50 0.00 0.00 -0.60 0.00 0.00 54.58 54.55 1b22 n ASN 62 Cb 0.63 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 1b22 n ASN 62 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1b22 n ILE 63 N -1.96 0.00 0.25 -1.44 5.41 0.16 -3.20 119.36 118.58 1b22 n ILE 63 Ca -0.01 0.42 0.15 0.00 1.00 0.00 0.00 62.75 64.31 1b22 n ILE 63 Cb 0.36 -1.40 0.80 0.00 -0.71 0.00 0.00 39.64 38.69 1b22 n ILE 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1b22 h LYS 64 N 0.00 0.00 0.00 0.38 3.11 -1.80 -3.44 116.57 114.82 1b22 h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1b22 h LYS 64 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1b22 h LYS 64 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.05 1b22 n GLY 65 N -1.21 1.58 0.00 5.01 0.00 -0.47 -5.11 105.19 104.99 1b22 n GLY 65 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1b22 n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1b22 n ILE 66 N -1.21 0.00 0.00 -0.61 -0.00 -0.25 -4.91 119.36 112.38 1b22 n ILE 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1b22 n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1b22 n ILE 66 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1b22 n SER 67 N 0.00 0.00 0.21 4.38 2.88 -1.26 -4.54 113.62 115.28 1b22 n SER 67 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1b22 n SER 67 Cb 0.00 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.20 1b22 n SER 67 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1b22 h GLU 68 N 0.00 0.00 0.00 -1.46 5.08 -1.96 -3.01 114.58 113.23 1b22 h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b22 h GLU 68 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1b22 h GLU 68 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1b22 n ALA 69 N -1.84 0.00 0.05 3.43 0.00 -1.26 -0.86 120.51 120.03 1b22 n ALA 69 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 1b22 n ALA 69 Cb 0.05 0.22 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 1b22 n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1b22 h LYS 70 N 0.00 0.29 0.12 0.00 1.79 -1.97 -2.93 116.57 113.86 1b22 h LYS 70 Ca 0.00 -0.49 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1b22 h LYS 70 Cb 0.00 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1b22 h LYS 70 CO 0.00 1.16 -0.11 0.00 -1.08 0.00 0.00 179.45 179.42 1b22 h ALA 71 N 0.32 -0.87 -0.92 3.86 0.00 -1.55 -2.42 119.26 117.68 1b22 h ALA 71 Ca -0.32 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.68 1b22 h ALA 71 Cb 2.05 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 20.09 1b22 h ALA 71 CO 0.15 -0.87 0.59 0.22 0.00 0.00 0.00 179.25 179.34 1b22 h ASP 72 N -0.23 0.76 -1.22 0.00 3.58 -1.17 0.26 116.42 118.40 1b22 h ASP 72 Ca -0.02 0.04 0.35 0.00 0.42 0.00 0.00 57.03 57.83 1b22 h ASP 72 Cb 0.19 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.07 1b22 h ASP 72 CO -0.01 0.40 0.86 0.50 -2.88 0.00 0.00 179.24 178.11 1b22 h LYS 73 N 0.81 0.06 0.14 0.28 1.63 -1.06 0.70 116.57 119.13 1b22 h LYS 73 Ca 0.46 -0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.92 1b22 h LYS 73 Cb 0.60 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1b22 h LYS 73 CO -0.22 0.04 -1.76 0.97 -3.45 0.00 0.00 179.45 175.03 1b22 h ILE 74 N 0.06 0.82 0.00 2.00 -0.00 -0.63 -3.03 117.51 116.74 1b22 h ILE 74 Ca 0.60 -2.40 -0.00 0.00 -0.00 0.00 0.00 64.86 63.06 1b22 h ILE 74 Cb 2.26 2.62 -0.00 0.00 -0.00 0.00 0.00 36.82 41.70 1b22 h ILE 74 CO -0.07 0.81 -0.01 0.25 -0.00 0.00 0.00 178.15 179.14 1b22 h LEU 75 N -0.06 0.00 0.00 2.19 5.85 -0.86 0.15 115.31 122.59 1b22 h LEU 75 Ca -0.37 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.17 1b22 h LEU 75 Cb 1.96 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.96 1b22 h LEU 75 CO 0.10 0.01 -0.99 0.00 -0.34 0.00 0.00 178.44 177.22 1b22 h ALA 76 N 1.99 0.21 0.00 1.25 0.00 -1.05 -2.89 119.26 118.76 1b22 h ALA 76 Ca -0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 54.91 53.77 1b22 h ALA 76 Cb 0.19 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1b22 h ALA 76 CO 0.00 0.55 -0.38 1.05 0.00 0.00 0.00 179.25 180.48 1b22 h GLU 77 N -1.00 0.00 0.18 0.00 -0.00 -1.39 -2.00 114.58 110.37 1b22 h GLU 77 Ca -0.27 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 58.78 1b22 h GLU 77 Cb 1.24 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 30.01 1b22 h GLU 77 CO -0.17 0.38 -1.41 0.00 -0.00 0.00 0.00 179.01 177.81 1b22 h ALA 78 N 1.62 0.03 0.00 1.06 0.00 -0.86 -0.28 119.26 120.83 1b22 h ALA 78 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1b22 h ALA 78 Cb 0.76 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1b22 h ALA 78 CO 0.05 0.89 0.00 0.00 0.00 0.00 0.00 179.25 180.19 1b22 h ALA 79 N 0.37 1.00 0.00 0.00 0.00 -1.41 1.03 119.26 120.25 1b22 h ALA 79 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 1b22 h ALA 79 Cb 2.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 1b22 h ALA 79 CO 0.22 0.00 -2.09 1.63 0.00 0.00 0.00 179.25 179.02 1b22 n LYS 80 N -2.53 0.88 -0.02 0.00 4.76 -0.76 -4.17 118.16 116.32 1b22 n LYS 80 Ca 0.03 -0.08 -0.01 0.00 -2.87 0.00 0.00 58.31 55.39 1b22 n LYS 80 Cb 0.37 -1.46 -0.06 0.00 -1.84 0.00 0.00 35.03 32.04 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1b22 n LEU 81 N -2.47 0.00 -2.44 -0.35 0.00 -0.12 -4.69 117.00 106.94 1b22 n LEU 81 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.57 1b22 n LEU 81 Cb 0.85 0.12 0.01 0.00 0.00 0.00 0.00 43.42 44.39 1b22 n LEU 81 CO 0.39 0.12 0.16 0.52 0.00 0.00 0.00 177.39 178.58 1b22 n VAL 82 N -2.09 2.26 -1.41 1.96 0.31 0.35 -5.01 118.33 114.70 1b22 n VAL 82 Ca -0.08 -4.66 -0.29 0.00 -0.01 0.00 0.00 64.34 59.30 1b22 n VAL 82 Cb 0.55 -1.06 0.14 0.00 -0.91 0.00 0.00 33.84 32.56 1b22 n VAL 82 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1b22 s PRO 83 N -3.52 1.11 -0.24 5.55 0.04 -1.00 -4.61 135.00 132.33 1b22 s PRO 83 Ca 0.46 0.46 -0.41 0.00 0.04 0.00 0.00 61.00 61.56 1b22 s PRO 83 Cb 0.41 -1.82 -0.17 0.00 0.04 0.00 0.00 34.50 32.96 1b22 s PRO 83 CO -0.14 -2.25 1.63 -1.33 0.04 0.00 0.00 177.00 174.95 1b22 n MET 84 N -3.83 0.94 0.00 4.56 2.81 -1.24 -5.06 117.12 115.29 1b22 n MET 84 Ca 0.06 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 1b22 n MET 84 Cb 0.58 -1.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89