#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b22 s GLU 17 N 0.00 0.50 -0.01 5.31 2.02 -1.26 -5.01 118.70 120.25 1b22 s GLU 17 Ca 0.00 0.84 0.04 0.00 0.02 0.00 0.00 54.97 55.87 1b22 s GLU 17 Cb 0.00 0.11 0.13 0.00 0.10 0.00 0.00 34.13 34.47 1b22 s GLU 17 CO 0.00 -0.10 1.01 -0.85 0.02 0.00 0.00 175.26 175.33 1b22 n GLU 18 N 3.82 1.42 -4.37 1.61 0.28 -1.26 -4.76 120.64 117.38 1b22 n GLU 18 Ca -0.19 -0.51 -0.34 0.00 -0.16 0.00 0.00 57.16 55.96 1b22 n GLU 18 Cb 0.58 -1.24 -0.14 0.00 1.43 0.00 0.00 31.44 32.06 1b22 n GLU 18 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1b22 s SER 19 N -0.78 4.00 0.01 -1.84 1.04 -1.26 -3.91 113.70 110.95 1b22 s SER 19 Ca 0.09 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1b22 s SER 19 Cb 0.06 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1b22 s SER 19 CO 0.05 0.08 0.00 0.33 0.98 0.00 0.00 173.24 174.68 1b22 n PHE 20 N 4.14 -0.03 0.00 5.02 7.35 -1.26 -5.12 117.46 127.55 1b22 n PHE 20 Ca -0.19 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 1b22 n PHE 20 Cb 0.52 0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.47 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1b22 n GLY 21 N 3.01 3.42 0.00 7.13 0.00 -1.26 -5.13 105.19 112.36 1b22 n GLY 21 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1b22 n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b22 n PRO 22 N 0.00 -0.41 -2.75 1.61 -0.04 -1.26 -5.03 135.00 127.13 1b22 n PRO 22 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1b22 n PRO 22 Cb 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.48 1b22 n PRO 22 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1b22 n GLN 23 N -1.10 1.22 -0.44 0.54 3.00 -1.26 -4.80 117.38 114.54 1b22 n GLN 23 Ca 0.00 -3.34 -0.12 0.00 -0.01 0.00 0.00 57.00 53.53 1b22 n GLN 23 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 30.24 28.85 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 -0.02 1.20 0.00 -1.09 -0.04 -1.26 0.82 135.00 134.60 1b22 n PRO 24 Ca 0.13 -0.97 0.12 0.00 -0.04 0.00 0.00 63.50 62.74 1b22 n PRO 24 Cb 0.78 -2.18 0.69 0.00 -0.04 0.00 0.00 33.50 32.75 1b22 n PRO 24 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1b22 n ILE 25 N 4.24 0.00 -0.16 0.52 -5.35 -1.26 -4.20 119.36 113.16 1b22 n ILE 25 Ca 0.25 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.68 1b22 n ILE 25 Cb 0.12 -0.46 -0.04 0.00 -1.74 0.00 0.00 39.64 37.52 1b22 n ILE 25 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1b22 h SER 26 N 0.00 -0.92 0.35 7.28 0.02 -1.76 0.28 113.55 118.80 1b22 h SER 26 Ca 0.00 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1b22 h SER 26 Cb 0.00 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1b22 h SER 26 CO 0.00 -0.12 -0.25 -0.09 -1.14 0.00 0.00 176.83 175.23 1b22 h ARG 27 N -0.04 0.00 0.00 3.45 2.43 -1.85 -2.33 114.38 116.04 1b22 h ARG 27 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1b22 h ARG 27 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1b22 h ARG 27 CO -0.38 0.25 0.00 1.28 -1.51 0.00 0.00 179.97 179.61 1b22 n LEU 28 N -4.01 0.00 0.05 3.80 7.99 0.92 -2.74 117.00 123.01 1b22 n LEU 28 Ca -0.02 0.68 -0.20 0.00 -0.01 0.00 0.00 56.01 56.46 1b22 n LEU 28 Cb 0.32 -0.18 -0.14 0.00 -0.11 0.00 0.00 43.42 43.32 1b22 n LEU 28 CO 0.36 -0.18 0.06 1.05 -1.51 0.00 0.00 177.39 177.17 1b22 h GLU 29 N 0.00 0.38 -0.65 3.23 4.11 -1.51 -2.61 114.58 117.52 1b22 h GLU 29 Ca 0.00 -0.57 0.14 0.00 0.07 0.00 0.00 59.36 59.00 1b22 h GLU 29 Cb 0.00 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1b22 h GLU 29 CO 0.00 1.24 0.44 -0.56 0.07 0.00 0.00 179.01 180.21 1b22 h GLN 30 N -0.20 0.30 0.00 1.06 3.07 -1.55 0.67 115.11 118.46 1b22 h GLN 30 Ca -0.14 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.58 1b22 h GLN 30 Cb 1.64 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 29.13 1b22 h GLN 30 CO 0.16 0.20 0.00 0.00 0.09 0.00 0.00 178.83 179.28 1b22 n GLY 32 N 1.18 0.60 0.00 0.00 0.00 0.23 -5.09 105.19 102.12 1b22 n GLY 32 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 -0.61 3.06 -0.99 -4.93 119.36 115.90 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 -3.20 -2.50 0.00 0.00 176.55 170.85 1b22 n ASN 34 N 0.00 0.00 0.17 9.51 2.85 -1.26 -4.81 115.26 121.72 1b22 n ASN 34 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 1b22 n ASN 34 Cb 0.00 0.00 0.47 0.00 1.24 0.00 0.00 39.78 41.49 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1b22 h ALA 35 N -1.91 1.00 0.02 5.20 0.00 -1.95 -3.33 119.26 118.29 1b22 h ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b22 h ALA 35 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1b22 h ALA 35 CO 0.00 0.00 -0.13 -0.91 0.00 0.00 0.00 179.25 178.21 1b22 h ASN 36 N 0.00 -0.41 0.00 0.00 2.35 -1.88 -2.23 115.58 113.42 1b22 h ASN 36 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1b22 h ASN 36 Cb 0.58 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1b22 h ASN 36 CO 0.00 -0.14 0.00 -0.67 -1.65 0.00 0.00 177.43 174.97 1b22 n ASP 37 N -3.22 0.00 0.06 5.81 2.03 -1.25 0.18 116.55 120.16 1b22 n ASP 37 Ca -0.02 0.19 -0.16 0.00 0.52 0.00 0.00 54.79 55.33 1b22 n ASP 37 Cb 0.10 -0.05 -0.09 0.00 -0.72 0.00 0.00 41.12 40.36 1b22 n ASP 37 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1b22 h VAL 38 N 0.00 0.02 0.00 5.18 2.07 -1.81 -3.09 116.25 118.62 1b22 h VAL 38 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1b22 h VAL 38 Cb 0.00 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1b22 h VAL 38 CO 0.00 0.00 -0.13 0.11 0.02 0.00 0.00 177.57 177.57 1b22 h LYS 39 N -0.67 0.00 -0.74 1.57 6.56 -0.22 -2.92 116.57 120.15 1b22 h LYS 39 Ca 0.02 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.67 1b22 h LYS 39 Cb 0.72 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.29 1b22 h LYS 39 CO -0.35 0.00 -0.44 1.63 -2.06 0.00 0.00 179.45 178.24 1b22 n LYS 40 N -4.21 -0.33 0.10 3.15 4.76 0.47 -1.67 118.16 120.43 1b22 n LYS 40 Ca -0.02 1.29 0.12 0.00 -2.87 0.00 0.00 58.31 56.83 1b22 n LYS 40 Cb 0.07 -1.90 0.22 0.00 -1.84 0.00 0.00 35.03 31.58 1b22 n LYS 40 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 1b22 h LEU 41 N 0.00 0.00 0.22 -0.35 8.10 -1.48 -3.31 115.31 118.50 1b22 h LEU 41 Ca 0.12 -0.10 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 1b22 h LEU 41 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1b22 h LEU 41 CO -0.69 0.05 -0.11 -0.08 -4.11 0.00 0.00 178.44 173.50 1b22 h GLU 42 N 0.00 -0.29 0.00 0.17 4.57 -1.11 0.23 114.58 118.15 1b22 h GLU 42 Ca 0.00 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1b22 h GLU 42 Cb 0.81 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1b22 h GLU 42 CO 0.00 0.09 -0.16 1.49 -1.18 0.00 0.00 179.01 179.25 1b22 h GLU 43 N -0.81 0.00 0.00 1.92 4.57 -1.74 -3.41 114.58 115.12 1b22 h GLU 43 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1b22 h GLU 43 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1b22 h GLU 43 CO 0.05 0.16 0.00 0.00 -1.18 0.00 0.00 179.01 178.04 1b22 n ALA 44 N -2.34 2.46 0.00 2.92 0.00 -1.19 -5.10 120.51 117.26 1b22 n ALA 44 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1b22 n ALA 44 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 2.84 0.41 0.86 0.00 0.00 0.81 -4.96 105.19 105.15 1b22 n GLY 45 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.09 -0.55 1.61 3.01 -1.26 -4.70 117.46 115.67 1b22 n PHE 46 Ca 0.00 -0.36 -0.25 0.00 1.01 0.00 0.00 57.45 57.86 1b22 n PHE 46 Cb 0.00 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.21 1b22 n PHE 46 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1b22 n HIS 47 N 0.29 0.77 -0.52 1.38 1.44 -1.26 -4.00 115.22 113.32 1b22 n HIS 47 Ca 0.02 -1.18 0.00 0.00 -2.01 0.00 0.00 57.72 54.55 1b22 n HIS 47 Cb 0.45 -1.16 0.00 0.00 0.12 0.00 0.00 29.99 29.40 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 5.42 0.00 -0.45 0.61 5.66 -1.26 -3.60 114.28 120.65 1b22 n THR 48 Ca 0.33 0.00 0.37 0.00 -3.05 0.00 0.00 64.05 61.70 1b22 n THR 48 Cb 0.21 0.00 0.57 0.00 -1.55 0.00 0.00 70.33 69.56 1b22 n THR 48 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1b22 n VAL 49 N 0.29 0.00 -0.01 1.08 3.14 0.24 -0.22 118.33 122.86 1b22 n VAL 49 Ca 0.00 1.15 0.20 0.00 -2.96 0.00 0.00 64.34 62.73 1b22 n VAL 49 Cb 0.00 -1.95 0.44 0.00 -1.06 0.00 0.00 33.84 31.27 1b22 n VAL 49 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1b22 h GLU 50 N 0.00 0.00 -1.11 1.45 4.57 -1.79 -0.03 114.58 117.67 1b22 h GLU 50 Ca 0.65 0.00 0.32 0.00 -1.18 0.00 0.00 59.36 59.15 1b22 h GLU 50 Cb 2.86 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 31.40 1b22 h GLU 50 CO -0.01 0.00 1.05 0.00 -1.18 0.00 0.00 179.01 178.87 1b22 h ALA 51 N 0.67 3.00 -2.57 2.92 0.00 -0.73 -2.92 119.26 119.64 1b22 h ALA 51 Ca 0.30 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.57 1b22 h ALA 51 Cb 2.22 0.08 -0.39 0.00 0.00 0.00 0.00 17.79 19.70 1b22 h ALA 51 CO -0.00 -1.62 -0.86 0.54 0.00 0.00 0.00 179.25 177.30 1b22 s VAL 52 N -4.63 1.01 0.00 0.00 0.11 -0.02 -4.73 120.40 112.13 1b22 s VAL 52 Ca -0.04 -3.04 0.00 0.00 -2.93 0.00 0.00 61.98 55.98 1b22 s VAL 52 Cb 0.18 -1.69 0.00 0.00 -1.53 0.00 0.00 36.38 33.34 1b22 s VAL 52 CO 0.62 -1.16 0.00 0.00 -3.33 0.00 0.00 175.10 171.23 1b22 n ALA 53 N 2.67 0.00 -0.07 1.54 0.00 -1.10 -5.03 120.51 118.53 1b22 n ALA 53 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1b22 n ALA 53 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1b22 n ALA 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b22 n TYR 54 N -0.33 0.00 -4.41 0.00 4.01 -1.26 -4.66 117.16 110.51 1b22 n TYR 54 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 1b22 n TYR 54 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b22 s ALA 55 N -0.07 2.77 0.02 -0.72 0.00 -1.26 -5.09 121.76 117.41 1b22 s ALA 55 Ca 0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 49.93 1b22 s ALA 55 Cb 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 1b22 s ALA 55 CO 0.00 0.34 1.33 -1.25 0.00 0.00 0.00 175.76 176.18 1b22 s PRO 56 N -3.21 4.33 0.52 0.00 0.04 -1.26 -4.87 135.00 130.54 1b22 s PRO 56 Ca 0.27 1.90 0.41 0.00 0.04 0.00 0.00 61.00 63.62 1b22 s PRO 56 Cb -0.06 -3.47 1.60 0.00 0.04 0.00 0.00 34.50 32.61 1b22 s PRO 56 CO 0.14 -0.47 1.63 1.57 0.04 0.00 0.00 177.00 179.91 1b22 h LYS 57 N 7.40 0.03 0.00 4.56 2.10 -1.92 1.85 116.57 130.58 1b22 h LYS 57 Ca -0.39 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.21 1b22 h LYS 57 Cb 1.19 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 1b22 h LYS 57 CO 0.87 0.02 -0.26 -0.22 -2.00 0.00 0.00 179.45 177.87 1b22 h LYS 58 N 0.03 0.00 0.06 0.07 3.64 -1.93 -1.62 116.57 116.82 1b22 h LYS 58 Ca 0.84 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 60.11 1b22 h LYS 58 Cb 3.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.94 1b22 h LYS 58 CO -0.15 0.26 -0.48 1.49 -2.27 0.00 0.00 179.45 178.30 1b22 h GLU 59 N 0.00 0.12 0.70 1.90 4.81 0.25 -2.82 114.58 119.54 1b22 h GLU 59 Ca -0.00 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1b22 h GLU 59 Cb 0.54 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1b22 h GLU 59 CO 0.03 1.10 -0.49 1.25 -0.73 0.00 0.00 179.01 180.18 1b22 h LEU 60 N -0.73 -1.26 -1.79 1.64 5.85 -1.39 0.76 115.31 118.39 1b22 h LEU 60 Ca -0.10 0.08 0.20 0.00 0.84 0.00 0.00 57.88 58.91 1b22 h LEU 60 Cb 1.31 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 42.69 1b22 h LEU 60 CO 0.04 -0.72 0.69 0.16 -0.34 0.00 0.00 178.44 178.27 1b22 h ILE 61 N -1.13 0.30 0.00 4.05 -0.00 -1.44 0.75 117.51 120.05 1b22 h ILE 61 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.77 1b22 h ILE 61 Cb 0.93 0.46 0.00 0.00 -0.00 0.00 0.00 36.82 38.21 1b22 h ILE 61 CO 0.05 0.00 0.23 -3.20 -0.00 0.00 0.00 178.15 175.23 1b22 n ASN 62 N -3.71 0.19 0.00 2.16 4.05 0.26 -1.50 115.26 116.71 1b22 n ASN 62 Ca 0.14 0.46 0.00 0.00 0.45 0.00 0.00 54.58 55.63 1b22 n ASN 62 Cb 0.94 -0.43 0.00 0.00 1.23 0.00 0.00 39.78 41.52 1b22 n ASN 62 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1b22 n ILE 63 N -1.71 0.00 0.34 -1.44 5.41 0.26 -2.27 119.36 119.94 1b22 n ILE 63 Ca -0.00 0.78 0.13 0.00 1.00 0.00 0.00 62.75 64.66 1b22 n ILE 63 Cb 0.24 -1.32 0.37 0.00 -0.71 0.00 0.00 39.64 38.22 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 1.63 -1.84 -3.46 116.57 113.29 1b22 h LYS 64 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1b22 h LYS 64 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1b22 h LYS 64 CO 0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 1b22 n GLY 65 N 0.79 1.91 0.00 5.01 0.00 -0.96 -5.13 105.19 106.81 1b22 n GLY 65 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.28 0.00 0.00 -0.61 5.41 -0.56 -4.90 119.36 118.41 1b22 n ILE 66 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1b22 n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.22 4.38 2.88 -1.26 -4.54 113.62 115.30 1b22 n SER 67 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 1b22 n SER 67 Cb 0.00 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.08 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 -2.94 114.58 113.31 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 -1.96 0.00 0.06 3.43 0.00 -1.26 0.15 120.51 120.93 1b22 n ALA 69 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.27 1b22 n ALA 69 Cb 0.66 0.27 -0.14 0.00 0.00 0.00 0.00 19.45 20.24 1b22 n ALA 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1b22 h LYS 70 N 0.00 0.36 0.00 0.00 2.10 -1.95 -2.99 116.57 114.09 1b22 h LYS 70 Ca 0.00 -0.58 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 1b22 h LYS 70 Cb 0.00 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1b22 h LYS 70 CO 0.00 1.27 0.00 0.00 -2.00 0.00 0.00 179.45 178.72 1b22 n ALA 71 N -2.67 -0.27 -0.22 0.07 0.00 -1.12 -2.32 120.51 113.98 1b22 n ALA 71 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1b22 n ALA 71 Cb 0.86 0.22 0.07 0.00 0.00 0.00 0.00 19.45 20.60 1b22 n ALA 71 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1b22 h ASP 72 N 0.00 -0.60 -1.77 0.00 1.82 -0.47 0.47 116.42 115.88 1b22 h ASP 72 Ca 0.00 0.20 0.51 0.00 -0.39 0.00 0.00 57.03 57.35 1b22 h ASP 72 Cb 0.00 0.40 -0.07 0.00 0.68 0.00 0.00 39.33 40.34 1b22 h ASP 72 CO 0.00 -0.21 1.29 0.50 -1.61 0.00 0.00 179.24 179.21 1b22 h LYS 73 N 0.01 0.00 0.00 0.28 1.63 -1.30 -0.40 116.57 116.78 1b22 h LYS 73 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1b22 h LYS 73 Cb 0.49 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1b22 h LYS 73 CO -0.68 0.00 -0.24 0.82 -3.45 0.00 0.00 179.45 175.90 1b22 h ILE 74 N 0.00 0.00 -0.84 2.00 2.04 0.24 -3.01 117.51 117.94 1b22 h ILE 74 Ca 0.84 -0.94 0.24 0.00 1.00 0.00 0.00 64.86 66.00 1b22 h ILE 74 Cb 3.41 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 39.46 1b22 h ILE 74 CO -0.01 0.00 0.94 -0.07 0.00 0.00 0.00 178.15 179.01 1b22 h LEU 75 N -0.94 0.00 0.01 1.44 3.38 -0.94 0.50 115.31 118.75 1b22 h LEU 75 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b22 h LEU 75 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1b22 h LEU 75 CO 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.53 1b22 h ALA 76 N 0.91 -0.01 -0.70 1.53 0.00 -1.24 -2.16 119.26 117.59 1b22 h ALA 76 Ca 0.40 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1b22 h ALA 76 Cb 2.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 20.04 1b22 h ALA 76 CO -0.00 -0.01 0.33 0.93 0.00 0.00 0.00 179.25 180.49 1b22 h GLU 77 N -0.99 1.01 -0.48 0.00 5.08 -0.53 -2.35 114.58 116.33 1b22 h GLU 77 Ca -0.00 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1b22 h GLU 77 Cb 0.59 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1b22 h GLU 77 CO 0.00 0.81 -0.00 0.00 -1.00 0.00 0.00 179.01 178.82 1b22 h ALA 78 N 1.16 1.10 0.00 3.43 0.00 -0.30 0.48 119.26 125.13 1b22 h ALA 78 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b22 h ALA 78 Cb 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1b22 h ALA 78 CO -0.03 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1b22 h ALA 79 N 1.26 1.00 0.00 0.00 0.00 -0.89 -2.94 119.26 117.69 1b22 h ALA 79 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1b22 h ALA 79 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1b22 h ALA 79 CO 0.02 0.00 -0.44 0.36 0.00 0.00 0.00 179.25 179.19 1b22 n LYS 80 N -2.66 0.69 0.00 0.00 2.85 -0.69 -4.63 118.16 113.71 1b22 n LYS 80 Ca 0.01 -2.09 0.00 0.00 -1.05 0.00 0.00 58.31 55.17 1b22 n LYS 80 Cb 0.23 -0.92 0.00 0.00 -0.65 0.00 0.00 35.03 33.69 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1b22 n LEU 81 N -0.56 1.64 -2.88 -5.58 0.00 0.16 -4.94 117.00 104.84 1b22 n LEU 81 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.98 1b22 n LEU 81 Cb 0.76 0.00 0.04 0.00 0.00 0.00 0.00 43.42 44.22 1b22 n LEU 81 CO -0.01 0.27 0.08 0.55 0.00 0.00 0.00 177.39 178.28 1b22 n VAL 82 N -2.05 0.09 -1.35 1.96 3.14 -1.12 -5.05 118.33 113.96 1b22 n VAL 82 Ca 0.00 -2.88 -0.27 0.00 -2.96 0.00 0.00 64.34 58.23 1b22 n VAL 82 Cb 0.28 0.65 0.21 0.00 -1.06 0.00 0.00 33.84 33.91 1b22 n VAL 82 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1b22 n PRO 83 N 0.13 -2.20 -3.71 1.45 -0.04 -1.23 -4.08 135.00 125.32 1b22 n PRO 83 Ca 0.12 -1.69 -0.28 0.00 -0.04 0.00 0.00 63.50 61.60 1b22 n PRO 83 Cb 0.73 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.81 1b22 n PRO 83 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1b22 n MET 84 N -4.11 -4.30 0.00 0.54 0.00 -1.26 -5.04 117.12 102.95 1b22 n MET 84 Ca 0.14 0.53 0.12 0.00 0.00 0.00 0.00 57.70 58.50 1b22 n MET 84 Cb 0.53 -5.33 0.74 0.00 0.00 0.00 0.00 33.22 29.15 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38