#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s ILE 8 N 0.00 4.61 -0.25 -0.18 -4.36 -1.26 -4.94 121.20 114.83 2occ s ILE 8 Ca 0.00 -0.08 0.14 0.00 -0.26 0.00 0.00 60.65 60.45 2occ s ILE 8 Cb 0.00 -3.14 0.82 0.00 1.25 0.00 0.00 42.46 41.39 2occ s ILE 8 CO 0.00 0.36 1.75 0.29 0.24 0.00 0.00 174.94 177.58 2occ n LYS 9 N 4.58 4.91 -4.62 0.37 5.02 -1.26 -4.81 118.16 122.36 2occ n LYS 9 Ca -0.16 -3.16 -0.22 0.00 -2.02 0.00 0.00 58.31 52.75 2occ n LYS 9 Cb 0.52 -2.27 -0.15 0.00 -0.02 0.00 0.00 35.03 33.10 2occ n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2occ s ASN 10 N -0.78 1.59 0.00 4.39 4.22 -1.26 -4.95 114.94 118.15 2occ s ASN 10 Ca 0.55 -0.25 0.00 0.00 -2.14 0.00 0.00 52.86 51.02 2occ s ASN 10 Cb 0.42 -0.18 0.00 0.00 1.28 0.00 0.00 41.25 42.77 2occ s ASN 10 CO 0.16 0.16 0.00 0.00 -2.04 0.00 0.00 177.10 175.38 2occ n TYR 11 N 2.73 -0.24 -0.09 1.54 0.18 -1.26 -5.09 117.16 114.93 2occ n TYR 11 Ca -0.14 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.53 2occ n TYR 11 Cb 0.55 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.48 2occ n TYR 11 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 2occ n GLN 12 N 0.00 0.53 -3.58 -3.48 1.13 -1.26 -5.10 117.38 105.62 2occ n GLN 12 Ca 0.00 0.25 -0.06 0.00 -1.94 0.00 0.00 57.00 55.25 2occ n GLN 12 Cb 0.00 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 28.87 2occ n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2occ s THR 13 N -2.79 0.00 -0.24 5.09 -1.32 -1.26 -5.12 115.64 110.00 2occ s THR 13 Ca -0.29 -0.18 -0.38 0.00 -1.21 0.00 0.00 61.69 59.63 2occ s THR 13 Cb 0.05 -1.30 -0.14 0.00 -1.51 0.00 0.00 72.50 69.60 2occ s THR 13 CO 0.42 0.00 1.80 0.00 -2.21 0.00 0.00 174.62 174.63 2occ n ALA 14 N -0.30 0.14 -1.54 11.08 0.00 -1.26 -4.94 120.51 123.69 2occ n ALA 14 Ca -0.07 0.34 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 2occ n ALA 14 Cb 0.61 -2.31 0.16 0.00 0.00 0.00 0.00 19.45 17.92 2occ n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2occ s PRO 15 N 3.81 0.64 0.15 0.00 0.04 -1.26 -4.97 135.00 133.42 2occ s PRO 15 Ca 0.97 0.09 -0.31 0.00 0.04 0.00 0.00 61.00 61.79 2occ s PRO 15 Cb -0.97 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 31.67 2occ s PRO 15 CO 0.62 -2.50 1.60 0.12 0.04 0.00 0.00 177.00 176.88 2occ s PHE 16 N -3.35 2.92 -0.30 0.56 5.36 -1.26 -4.98 117.98 116.93 2occ s PHE 16 Ca 0.67 0.53 -0.02 0.00 -0.96 0.00 0.00 56.93 57.15 2occ s PHE 16 Cb -0.12 -3.96 0.05 0.00 -0.34 0.00 0.00 43.02 38.65 2occ s PHE 16 CO 0.54 -3.62 0.00 0.34 -1.46 0.00 0.00 175.22 171.02 2occ s ASP 17 N 1.38 4.91 0.32 6.13 -1.08 -1.26 -4.98 116.67 122.09 2occ s ASP 17 Ca 0.71 -1.26 0.17 0.00 -0.52 0.00 0.00 52.55 51.66 2occ s ASP 17 Cb -0.44 -1.72 0.94 0.00 -1.46 0.00 0.00 42.92 40.25 2occ s ASP 17 CO 0.32 -0.26 1.48 -1.54 0.52 0.00 0.00 175.17 175.69 2occ n SER 18 N 4.63 0.45 0.24 -0.34 3.41 -1.26 -0.02 113.62 120.73 2occ n SER 18 Ca -0.13 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.28 2occ n SER 18 Cb 0.43 -0.68 0.36 0.00 -0.26 0.00 0.00 64.21 64.07 2occ n SER 18 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2occ h ARG 19 N 0.00 0.00 -2.17 4.33 3.08 -2.02 -3.34 114.38 114.25 2occ h ARG 19 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2occ h ARG 19 Cb 0.28 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.93 2occ h ARG 19 CO 0.00 0.00 -0.96 1.19 -1.07 0.00 0.00 179.97 179.13 2occ n PHE 20 N -3.07 0.49 1.67 3.04 3.72 0.97 -4.97 117.46 119.30 2occ n PHE 20 Ca 0.03 -3.67 0.15 0.00 -0.05 0.00 0.00 57.45 53.91 2occ n PHE 20 Cb 0.45 -0.29 0.72 0.00 -0.94 0.00 0.00 39.48 39.42 2occ n PHE 20 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2occ n PRO 21 N 1.62 1.11 -3.67 -1.08 -0.04 -1.24 -4.67 135.00 127.02 2occ n PRO 21 Ca 0.24 -0.36 -0.25 0.00 -0.04 0.00 0.00 63.50 63.09 2occ n PRO 21 Cb 0.49 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2occ n PRO 21 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2occ s ASN 22 N -2.14 4.74 0.54 3.54 0.01 -1.26 -5.01 114.94 115.35 2occ s ASN 22 Ca 0.39 -1.16 0.20 0.00 -0.71 0.00 0.00 52.86 51.59 2occ s ASN 22 Cb 0.21 0.41 1.42 0.00 0.41 0.00 0.00 41.25 43.70 2occ s ASN 22 CO 0.39 -1.18 2.16 1.56 -1.51 0.00 0.00 177.10 178.53 2occ h GLN 23 N 0.60 0.00 -6.16 -0.60 4.20 -2.06 -3.38 115.11 107.71 2occ h GLN 23 Ca -0.35 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.77 2occ h GLN 23 Cb 1.30 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.98 2occ h GLN 23 CO 0.53 0.00 0.71 1.21 -0.67 0.00 0.00 178.83 180.61 2occ s ASN 24 N -6.77 6.40 0.00 1.46 3.84 -1.26 -4.85 114.94 113.76 2occ s ASN 24 Ca -0.05 -0.12 0.21 0.00 0.21 0.00 0.00 52.86 53.11 2occ s ASN 24 Cb 0.17 -2.48 0.57 0.00 -0.55 0.00 0.00 41.25 38.96 2occ s ASN 24 CO 0.64 -1.29 1.48 0.00 -2.79 0.00 0.00 177.10 175.14 2occ n GLN 25 N 7.76 2.70 -0.20 0.43 1.13 -1.26 -4.63 117.38 123.30 2occ n GLN 25 Ca 0.05 -2.53 0.01 0.00 -1.94 0.00 0.00 57.00 52.58 2occ n GLN 25 Cb 0.48 -1.52 0.10 0.00 0.11 0.00 0.00 30.24 29.41 2occ n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2occ h THR 26 N 4.03 0.51 0.00 5.09 2.02 -1.96 -0.32 112.91 122.28 2occ h THR 26 Ca 0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 2occ h THR 26 Cb 0.96 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2occ h THR 26 CO 0.00 0.02 -0.18 0.03 0.37 0.00 0.00 175.52 175.76 2occ h ARG 27 N 0.13 0.00 -0.10 6.66 3.08 -1.99 -2.57 114.38 119.59 2occ h ARG 27 Ca 0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 2occ h ARG 27 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 2occ h ARG 27 CO -0.51 0.18 0.03 -0.97 -1.07 0.00 0.00 179.97 177.63 2occ h ASN 28 N 0.00 0.15 0.29 7.04 -0.73 -1.39 0.54 115.58 121.48 2occ h ASN 28 Ca -0.00 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 57.95 2occ h ASN 28 Cb 0.71 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.27 2occ h ASN 28 CO 0.02 0.32 -0.14 0.00 -0.37 0.00 0.00 177.43 177.26 2occ h TRP 30 N -0.42 -0.31 0.29 0.00 2.91 -1.23 -0.38 115.95 116.80 2occ h TRP 30 Ca -0.04 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 2occ h TRP 30 Cb 0.32 0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 2occ h TRP 30 CO -0.05 -0.18 -0.25 0.37 -1.03 0.00 0.00 178.44 177.30 2occ h GLN 31 N -0.19 -0.54 -0.18 2.65 5.75 0.10 -1.38 115.11 121.32 2occ h GLN 31 Ca 0.05 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2occ h GLN 31 Cb 0.26 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2occ h GLN 31 CO -0.14 -0.36 0.12 -0.91 -2.65 0.00 0.00 178.83 174.89 2occ h ASN 32 N -0.56 0.11 0.02 -0.69 2.35 -1.28 0.19 115.58 115.73 2occ h ASN 32 Ca -0.01 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 2occ h ASN 32 Cb 0.50 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2occ h ASN 32 CO -0.03 0.08 -0.40 0.22 -1.65 0.00 0.00 177.43 175.65 2occ h TYR 33 N 0.13 0.58 0.08 1.19 5.03 -0.40 -2.48 116.97 121.11 2occ h TYR 33 Ca 0.08 -0.16 -0.00 0.00 2.58 0.00 0.00 58.73 61.22 2occ h TYR 33 Cb 0.14 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.30 2occ h TYR 33 CO -0.00 0.81 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.55 2occ h LEU 34 N 0.41 -0.09 -1.00 2.82 3.38 0.17 -3.19 115.31 117.79 2occ h LEU 34 Ca 0.04 -0.51 0.28 0.00 0.09 0.00 0.00 57.88 57.78 2occ h LEU 34 Cb 0.88 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 2occ h LEU 34 CO 0.07 0.55 0.58 0.44 0.09 0.00 0.00 178.44 180.17 2occ h ASP 35 N -0.83 0.59 0.58 -0.43 3.32 -0.74 -0.35 116.42 118.56 2occ h ASP 35 Ca -0.01 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 2occ h ASP 35 Cb 0.60 0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.24 2occ h ASP 35 CO 0.02 -0.01 -0.28 0.15 -1.72 0.00 0.00 179.24 177.40 2occ h PHE 36 N 0.46 -0.73 -0.10 4.55 3.57 -1.52 -0.11 116.94 123.05 2occ h PHE 36 Ca 0.69 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 62.20 2occ h PHE 36 Cb 1.43 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 40.41 2occ h PHE 36 CO -0.01 -0.45 0.16 0.45 -2.23 0.00 0.00 178.31 176.23 2occ h HIS 37 N -0.86 0.00 -0.00 0.41 3.86 -1.38 0.74 115.15 117.91 2occ h HIS 37 Ca -0.08 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.94 2occ h HIS 37 Cb 0.60 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.09 2occ h HIS 37 CO 0.07 0.00 -0.74 0.00 0.86 0.00 0.00 177.93 178.12 2occ h ARG 38 N 0.00 0.51 -0.32 2.45 3.08 -0.96 -2.51 114.38 116.62 2occ h ARG 38 Ca 0.05 -0.54 -0.15 0.00 0.07 0.00 0.00 59.98 59.41 2occ h ARG 38 Cb 0.37 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2occ h ARG 38 CO -0.00 1.17 -0.40 0.00 -1.07 0.00 0.00 179.97 179.67 2occ h GLU 40 N 0.64 0.68 0.31 0.00 4.81 0.32 -1.95 114.58 119.40 2occ h GLU 40 Ca 0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2occ h GLU 40 Cb 0.96 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 2occ h GLU 40 CO 0.09 0.45 -0.20 0.87 -0.73 0.00 0.00 179.01 179.49 2occ h LYS 41 N 0.70 -0.47 -0.57 1.92 1.79 -1.33 -0.30 116.57 118.32 2occ h LYS 41 Ca 0.21 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.79 2occ h LYS 41 Cb -0.03 0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 30.62 2occ h LYS 41 CO -0.07 -0.31 -0.49 0.00 -1.08 0.00 0.00 179.45 177.50 2occ h ALA 42 N -1.59 -0.50 -0.60 3.86 0.00 -1.43 0.48 119.26 119.48 2occ h ALA 42 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2occ h ALA 42 Cb 0.39 1.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 2occ h ALA 42 CO 0.04 -0.92 0.38 0.52 0.00 0.00 0.00 179.25 179.27 2occ h MET 43 N -0.26 0.79 -0.00 0.00 2.86 -1.39 0.13 114.93 117.06 2occ h MET 43 Ca 0.14 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2occ h MET 43 Cb 0.56 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2occ h MET 43 CO -0.69 0.54 -0.27 -2.37 1.06 0.00 0.00 176.91 175.18 2occ n THR 44 N -4.43 0.00 -0.13 2.22 5.66 -0.12 0.06 114.28 117.54 2occ n THR 44 Ca 0.06 -0.01 -0.25 0.00 -3.05 0.00 0.00 64.05 60.80 2occ n THR 44 Cb 0.05 -0.07 -0.08 0.00 -1.55 0.00 0.00 70.33 68.67 2occ n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2occ n ALA 45 N -1.45 1.16 0.95 1.79 0.00 0.15 -4.45 120.51 118.66 2occ n ALA 45 Ca 0.07 -1.03 -0.01 0.00 0.00 0.00 0.00 53.44 52.47 2occ n ALA 45 Cb 0.33 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2occ n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2occ n LYS 46 N -4.27 1.03 -4.00 0.00 5.02 0.37 -4.80 118.16 111.51 2occ n LYS 46 Ca -0.46 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.44 2occ n LYS 46 Cb 0.81 -1.06 0.01 0.00 -0.02 0.00 0.00 35.03 34.77 2occ n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2occ n GLY 47 N 0.43 -0.45 0.00 0.72 0.00 -1.25 -4.96 105.19 99.67 2occ n GLY 47 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2occ n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2occ n GLY 48 N -1.62 2.80 3.56 -0.02 0.00 0.11 -5.04 105.19 104.98 2occ n GLY 48 Ca 0.01 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2occ n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2occ s ASP 49 N -0.80 6.41 0.41 1.61 2.15 -1.26 -4.61 116.67 120.59 2occ s ASP 49 Ca 0.00 0.03 0.27 0.00 0.43 0.00 0.00 52.55 53.28 2occ s ASP 49 Cb 0.00 -2.33 0.78 0.00 -0.30 0.00 0.00 42.92 41.06 2occ s ASP 49 CO 0.00 -0.67 1.76 0.58 -0.17 0.00 0.00 175.17 176.66 2occ h VAL 50 N 5.75 0.00 0.00 1.11 2.07 -1.94 -3.22 116.25 120.03 2occ h VAL 50 Ca -0.26 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2occ h VAL 50 Cb 1.10 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2occ h VAL 50 CO 0.86 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.25 2occ n SER 51 N -2.86 0.27 0.15 0.57 7.64 -1.26 -1.30 113.62 116.83 2occ n SER 51 Ca 0.03 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2occ n SER 51 Cb 0.42 -0.64 0.21 0.00 -1.01 0.00 0.00 64.21 63.20 2occ n SER 51 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2occ h VAL 52 N 0.00 1.33 0.00 0.44 -1.51 -1.98 -2.91 116.25 111.62 2occ h VAL 52 Ca 0.00 -1.96 0.00 0.00 -1.23 0.00 0.00 66.70 63.51 2occ h VAL 52 Cb 0.20 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 2occ h VAL 52 CO 0.00 0.55 0.00 0.00 -1.23 0.00 0.00 177.57 176.89 2occ h GLU 54 N 0.00 0.45 -0.54 0.00 4.57 -1.61 -3.11 114.58 114.34 2occ h GLU 54 Ca 0.00 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.24 2occ h GLU 54 Cb 0.19 -0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 28.57 2occ h GLU 54 CO 0.00 0.30 -0.40 2.35 -1.18 0.00 0.00 179.01 180.08 2occ h TRP 55 N 0.46 -1.14 -0.82 0.92 2.91 -1.82 -1.39 115.95 115.07 2occ h TRP 55 Ca 0.19 0.08 0.09 0.00 1.13 0.00 0.00 58.89 60.37 2occ h TRP 55 Cb 0.08 0.58 -0.06 0.00 -0.51 0.00 0.00 29.16 29.25 2occ h TRP 55 CO -0.09 -0.41 0.54 1.88 -1.03 0.00 0.00 178.44 179.32 2occ h TYR 56 N -0.22 0.85 -0.17 2.65 0.05 -1.84 -1.66 116.97 116.63 2occ h TYR 56 Ca 0.19 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.85 2occ h TYR 56 Cb 0.56 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2occ h TYR 56 CO -0.66 0.41 -0.50 -0.09 -1.05 0.00 0.00 178.16 176.27 2occ h ARG 57 N 0.81 0.47 0.29 4.88 2.43 -1.28 0.59 114.38 122.58 2occ h ARG 57 Ca 0.37 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2occ h ARG 57 Cb 0.38 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2occ h ARG 57 CO -0.14 0.86 -0.14 0.00 -1.51 0.00 0.00 179.97 179.04 2occ h ARG 58 N 0.37 -0.38 0.08 0.20 2.47 -0.60 -1.10 114.38 115.42 2occ h ARG 58 Ca 0.02 0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 2occ h ARG 58 Cb 1.01 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.38 2occ h ARG 58 CO 0.09 -0.10 -0.22 0.28 0.56 0.00 0.00 179.97 180.58 2occ h VAL 59 N -0.64 0.51 0.00 2.04 2.07 -1.25 0.19 116.25 119.16 2occ h VAL 59 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2occ h VAL 59 Cb 0.46 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2occ h VAL 59 CO 0.07 0.00 -0.20 0.10 0.02 0.00 0.00 177.57 177.55 2occ h TYR 60 N -0.39 0.00 -0.34 1.57 -0.00 -0.93 -1.69 116.97 115.20 2occ h TYR 60 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.60 2occ h TYR 60 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.15 2occ h TYR 60 CO -0.22 0.20 -0.43 0.87 -0.00 0.00 0.00 178.16 178.58 2occ h LYS 61 N 0.00 0.87 0.10 0.10 1.79 -0.13 -0.57 116.57 118.72 2occ h LYS 61 Ca -0.00 -0.48 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2occ h LYS 61 Cb 0.41 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2occ h LYS 61 CO 0.03 1.12 -0.05 0.77 -1.08 0.00 0.00 179.45 180.24 2occ h SER 62 N 0.70 -0.11 0.51 0.86 0.02 -0.34 -3.36 113.55 111.83 2occ h SER 62 Ca 0.05 -0.15 -0.30 0.00 -0.84 0.00 0.00 61.79 60.55 2occ h SER 62 Cb 1.02 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2occ h SER 62 CO 0.10 0.09 -1.40 -0.07 -1.14 0.00 0.00 176.83 174.41 2occ h LEU 63 N -0.31 0.47 -9.59 5.07 3.38 -1.36 -3.47 115.31 109.50 2occ h LEU 63 Ca -0.01 -0.56 -0.52 0.00 0.09 0.00 0.00 57.88 56.88 2occ h LEU 63 Cb 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2occ h LEU 63 CO 0.02 1.45 0.43 0.00 0.09 0.00 0.00 178.44 180.43 2occ s PRO 65 N -0.02 3.47 0.24 0.00 0.02 -1.26 -4.87 135.00 132.59 2occ s PRO 65 Ca 0.49 1.95 -0.04 0.00 0.02 0.00 0.00 61.00 63.42 2occ s PRO 65 Cb -0.26 -2.32 0.44 0.00 0.02 0.00 0.00 34.50 32.38 2occ s PRO 65 CO 0.32 -0.84 1.75 0.82 -0.33 0.00 0.00 177.00 178.72 2occ h ILE 66 N 1.65 0.72 -0.51 2.83 2.04 -1.94 -1.98 117.51 120.31 2occ h ILE 66 Ca -0.50 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.20 2occ h ILE 66 Cb 1.27 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2occ h ILE 66 CO 0.59 0.09 0.34 0.28 0.00 0.00 0.00 178.15 179.45 2occ h SER 67 N 0.52 0.55 -0.03 1.72 0.02 -1.99 0.54 113.55 114.88 2occ h SER 67 Ca 0.41 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.32 2occ h SER 67 Cb 0.57 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2occ h SER 67 CO -0.36 0.39 -0.10 -0.50 -1.14 0.00 0.00 176.83 175.12 2occ h TRP 68 N 0.64 0.15 -0.25 3.45 4.06 -1.74 -2.25 115.95 120.01 2occ h TRP 68 Ca 0.19 -0.06 0.02 0.00 2.06 0.00 0.00 58.89 61.10 2occ h TRP 68 Cb -0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.10 2occ h TRP 68 CO -0.00 0.72 0.13 0.28 -3.56 0.00 0.00 178.44 176.01 2occ h VAL 69 N -0.46 1.00 -0.05 1.49 2.07 -1.21 0.09 116.25 119.17 2occ h VAL 69 Ca -0.00 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2occ h VAL 69 Cb 0.73 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2occ h VAL 69 CO 0.02 0.05 -0.12 0.28 0.02 0.00 0.00 177.57 177.82 2occ h SER 70 N 0.27 -0.35 -0.68 0.57 0.02 -0.94 -0.31 113.55 112.14 2occ h SER 70 Ca 0.10 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 2occ h SER 70 Cb 0.03 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2occ h SER 70 CO -0.07 -0.16 0.14 0.71 -1.14 0.00 0.00 176.83 176.31 2occ h THR 71 N -0.17 1.26 -0.76 -2.27 1.35 -1.22 -0.58 112.91 110.52 2occ h THR 71 Ca 0.06 -0.99 -0.05 0.00 -0.55 0.00 0.00 66.41 64.88 2occ h THR 71 Cb 0.26 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 2occ h THR 71 CO -0.15 0.37 0.28 -0.50 -0.25 0.00 0.00 175.52 175.27 2occ h TRP 72 N 1.02 1.17 -0.20 4.73 6.55 -0.70 -0.93 115.95 127.60 2occ h TRP 72 Ca 0.21 -0.10 -0.02 0.00 0.95 0.00 0.00 58.89 59.94 2occ h TRP 72 Cb 0.40 -0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 28.34 2occ h TRP 72 CO 0.03 0.90 0.06 -0.44 -1.05 0.00 0.00 178.44 177.94 2occ h ASP 73 N 1.11 0.29 -0.64 -3.49 3.32 -0.84 0.20 116.42 116.36 2occ h ASP 73 Ca 0.25 -0.20 0.07 0.00 0.02 0.00 0.00 57.03 57.17 2occ h ASP 73 Cb 0.24 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2occ h ASP 73 CO -0.02 0.41 0.42 0.44 -1.72 0.00 0.00 179.24 178.78 2occ h ASP 74 N 0.14 0.52 0.22 6.45 5.19 -0.90 -2.04 116.42 126.00 2occ h ASP 74 Ca 0.06 0.01 -0.26 0.00 -0.62 0.00 0.00 57.03 56.21 2occ h ASP 74 Cb 0.23 -0.11 0.02 0.00 0.18 0.00 0.00 39.33 39.65 2occ h ASP 74 CO -0.00 0.33 -1.09 0.03 -3.12 0.00 0.00 179.24 175.38 2occ h ARG 75 N 0.59 0.53 -0.46 3.56 3.08 -0.77 -1.94 114.38 118.97 2occ h ARG 75 Ca 0.28 -0.64 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 2occ h ARG 75 Cb 0.35 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2occ h ARG 75 CO -0.09 1.26 0.18 0.00 -1.07 0.00 0.00 179.97 180.25 2occ h ARG 76 N 0.27 0.66 -0.26 0.04 3.08 -0.40 0.91 114.38 118.68 2occ h ARG 76 Ca -0.13 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.63 2occ h ARG 76 Cb 1.75 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.68 2occ h ARG 76 CO 0.20 0.55 -0.59 0.00 -1.07 0.00 0.00 179.97 179.07 2occ h ALA 77 N 1.54 0.42 0.00 0.04 0.00 -1.40 -3.12 119.26 116.75 2occ h ALA 77 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2occ h ALA 77 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2occ h ALA 77 CO -0.01 0.67 0.00 1.49 0.00 0.00 0.00 179.25 181.40 2occ h GLU 78 N 0.64 0.00 0.00 0.00 4.81 -0.86 -3.47 114.58 115.69 2occ h GLU 78 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2occ h GLU 78 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2occ h GLU 78 CO 0.13 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.82 2occ n GLY 79 N 0.40 0.74 1.38 1.92 0.00 0.21 -4.95 105.19 104.89 2occ n GLY 79 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2occ n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2occ n THR 80 N -2.13 2.28 -2.32 2.61 -2.24 -0.59 -4.96 114.28 106.94 2occ n THR 80 Ca 0.00 -1.51 -0.43 0.00 -2.27 0.00 0.00 64.05 59.84 2occ n THR 80 Cb 0.00 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 2occ n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2occ s PHE 81 N -2.48 2.48 0.45 4.78 5.36 -1.12 -4.89 117.98 122.56 2occ s PHE 81 Ca 0.47 0.75 0.39 0.00 -0.96 0.00 0.00 56.93 57.59 2occ s PHE 81 Cb 0.35 -3.96 1.97 0.00 -0.34 0.00 0.00 43.02 41.05 2occ s PHE 81 CO 0.15 -2.12 2.21 -1.00 -1.46 0.00 0.00 175.22 173.00 2occ h PRO 82 N 9.86 0.00 -7.35 10.12 0.13 -1.93 -3.44 132.00 139.38 2occ h PRO 82 Ca -0.29 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.34 2occ h PRO 82 Cb 1.12 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.30 2occ h PRO 82 CO 1.03 0.01 0.42 0.20 -0.23 0.00 0.00 178.00 179.43 2occ s GLY 83 N -4.16 1.68 -0.40 1.56 0.00 -1.26 -5.01 107.32 99.72 2occ s GLY 83 Ca -0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 44.72 44.42 2occ s GLY 83 CO 0.48 0.20 0.59 0.54 0.00 0.00 0.00 173.10 174.90 2occ s LYS 84 N -5.13 3.40 0.00 2.90 3.01 -1.26 -5.16 119.74 117.50 2occ s LYS 84 Ca 0.55 -0.29 0.07 0.00 -1.01 0.00 0.00 55.97 55.28 2occ s LYS 84 Cb -0.11 -3.90 0.05 0.00 -1.01 0.00 0.00 37.83 32.87 2occ s LYS 84 CO 0.53 -0.87 0.71 -0.89 0.51 0.00 0.00 175.35 175.34