#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm n GLN 12 N 0.00 0.46 -4.04 2.98 6.02 -1.26 -5.10 117.38 116.45 3abm n GLN 12 Ca 0.00 0.19 -0.12 0.00 -0.01 0.00 0.00 57.00 57.06 3abm n GLN 12 Cb 0.00 -1.31 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 3abm n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3abm s THR 13 N -2.71 0.00 0.16 5.09 -1.32 -1.26 -5.13 115.64 110.47 3abm s THR 13 Ca -0.27 -1.51 -0.31 0.00 -1.21 0.00 0.00 61.69 58.39 3abm s THR 13 Cb 0.05 -2.45 -0.09 0.00 -1.51 0.00 0.00 72.50 68.50 3abm s THR 13 CO 0.38 0.00 1.49 0.00 -2.21 0.00 0.00 174.62 174.28 3abm s ALA 14 N -3.52 3.69 0.81 11.08 0.00 -1.26 -5.00 121.76 127.56 3abm s ALA 14 Ca 0.27 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 3abm s ALA 14 Cb -0.00 -3.58 0.08 0.00 0.00 0.00 0.00 23.12 19.61 3abm s ALA 14 CO 0.14 -0.71 1.11 -1.25 0.00 0.00 0.00 175.76 175.05 3abm s PRO 15 N 0.96 2.00 0.24 0.00 0.04 -1.26 -4.99 135.00 131.99 3abm s PRO 15 Ca 0.67 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 3abm s PRO 15 Cb -0.41 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.06 3abm s PRO 15 CO 0.32 -1.65 0.94 0.34 0.04 0.00 0.00 177.00 176.98 3abm n PHE 16 N -3.44 0.88 -3.89 0.56 -0.00 -1.26 -4.95 117.46 105.36 3abm n PHE 16 Ca 0.07 0.76 -0.27 0.00 -0.00 0.00 0.00 57.45 58.01 3abm n PHE 16 Cb 0.57 -2.19 -0.17 0.00 -0.00 0.00 0.00 39.48 37.69 3abm n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3abm s ASP 17 N -0.53 2.38 0.02 -2.13 -1.08 -1.26 -5.01 116.67 109.06 3abm s ASP 17 Ca 0.63 -0.42 0.11 0.00 -0.52 0.00 0.00 52.55 52.36 3abm s ASP 17 Cb -0.79 -0.83 0.49 0.00 -1.46 0.00 0.00 42.92 40.33 3abm s ASP 17 CO 0.57 -0.15 1.36 -1.54 0.52 0.00 0.00 175.17 175.94 3abm n SER 18 N 4.94 0.05 0.10 -0.34 3.41 -1.26 -0.30 113.62 120.21 3abm n SER 18 Ca -0.12 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.13 3abm n SER 18 Cb 0.49 -0.52 0.43 0.00 -0.26 0.00 0.00 64.21 64.35 3abm n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3abm n ARG 19 N -1.56 0.23 -3.20 4.33 1.74 -1.26 -4.24 116.66 112.69 3abm n ARG 19 Ca 0.02 0.23 -0.24 0.00 -0.77 0.00 0.00 57.85 57.10 3abm n ARG 19 Cb 0.13 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 29.71 3abm n ARG 19 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3abm n PHE 20 N -2.19 -0.60 1.44 -1.55 3.01 0.59 -4.96 117.46 113.19 3abm n PHE 20 Ca 0.05 -3.43 0.14 0.00 1.01 0.00 0.00 57.45 55.22 3abm n PHE 20 Cb 0.39 -0.16 0.64 0.00 -0.01 0.00 0.00 39.48 40.34 3abm n PHE 20 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3abm n PRO 21 N 1.67 0.71 -3.56 -1.08 -0.04 -1.23 -4.59 135.00 126.87 3abm n PRO 21 Ca 0.22 -0.22 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 3abm n PRO 21 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3abm n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3abm n ASN 22 N -0.96 2.56 0.13 3.54 3.02 -1.26 -5.00 115.26 117.30 3abm n ASN 22 Ca 0.15 -2.67 0.02 0.00 -0.03 0.00 0.00 54.58 52.05 3abm n ASN 22 Cb 0.27 -0.03 0.37 0.00 -0.61 0.00 0.00 39.78 39.78 3abm n ASN 22 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3abm h GLN 23 N 0.00 0.19 -5.79 3.52 4.20 -2.06 -3.39 115.11 111.78 3abm h GLN 23 Ca -0.31 -0.05 -0.62 0.00 0.06 0.00 0.00 58.65 57.73 3abm h GLN 23 Cb 1.12 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.76 3abm h GLN 23 CO 0.48 0.39 0.37 1.21 -0.67 0.00 0.00 178.83 180.61 3abm s ASN 24 N -6.89 6.47 0.00 1.46 3.84 -1.26 -4.88 114.94 113.68 3abm s ASN 24 Ca -0.05 0.09 0.17 0.00 0.21 0.00 0.00 52.86 53.28 3abm s ASN 24 Cb 0.15 -2.39 0.34 0.00 -0.55 0.00 0.00 41.25 38.80 3abm s ASN 24 CO 0.73 -0.84 1.25 0.00 -2.79 0.00 0.00 177.10 175.45 3abm n GLN 25 N 6.60 2.23 -0.26 0.43 1.13 -1.26 -4.56 117.38 121.70 3abm n GLN 25 Ca 0.03 -2.02 0.01 0.00 -1.94 0.00 0.00 57.00 53.08 3abm n GLN 25 Cb 0.48 -1.38 0.14 0.00 0.11 0.00 0.00 30.24 29.59 3abm n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3abm h THR 26 N 3.22 0.89 0.00 5.09 2.02 -1.96 -1.56 112.91 120.61 3abm h THR 26 Ca 0.00 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 3abm h THR 26 Cb 0.80 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3abm h THR 26 CO 0.00 0.12 -0.44 -0.09 0.37 0.00 0.00 175.52 175.48 3abm h ARG 27 N 0.67 0.00 0.32 6.66 2.43 -1.99 -2.48 114.38 119.99 3abm h ARG 27 Ca 0.35 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 3abm h ARG 27 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3abm h ARG 27 CO -0.24 0.44 -0.20 -0.97 -1.51 0.00 0.00 179.97 177.48 3abm h ASN 28 N 0.00 -0.51 -0.37 -3.80 -0.73 -1.62 0.16 115.58 108.71 3abm h ASN 28 Ca -0.00 0.03 0.07 0.00 1.87 0.00 0.00 56.30 58.27 3abm h ASN 28 Cb 0.99 0.15 -0.07 0.00 0.27 0.00 0.00 38.32 39.66 3abm h ASN 28 CO 0.06 -0.33 -0.06 0.00 -0.37 0.00 0.00 177.43 176.73 3abm h TRP 30 N 0.03 1.05 0.16 0.00 2.91 -1.21 -1.19 115.95 117.69 3abm h TRP 30 Ca 0.18 -0.31 -0.01 0.00 1.13 0.00 0.00 58.89 59.88 3abm h TRP 30 Cb 0.27 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.70 3abm h TRP 30 CO -0.31 1.12 -0.07 0.37 -1.03 0.00 0.00 178.44 178.51 3abm h GLN 31 N 0.72 -0.20 -0.31 2.65 5.75 -0.54 0.17 115.11 123.34 3abm h GLN 31 Ca 0.06 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3abm h GLN 31 Cb 0.96 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.54 3abm h GLN 31 CO 0.09 0.02 0.11 -0.91 -2.65 0.00 0.00 178.83 175.49 3abm h ASN 32 N -0.40 0.39 -0.35 -0.69 2.35 -1.35 0.22 115.58 115.76 3abm h ASN 32 Ca -0.02 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3abm h ASN 32 Cb 0.32 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3abm h ASN 32 CO 0.04 0.37 0.04 0.22 -1.65 0.00 0.00 177.43 176.45 3abm h TYR 33 N 0.43 0.63 0.68 1.19 3.20 -0.86 -1.08 116.97 121.17 3abm h TYR 33 Ca 0.11 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3abm h TYR 33 Cb 0.12 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3abm h TYR 33 CO 0.00 0.67 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.72 3abm h LEU 34 N 0.41 -0.99 -0.86 2.82 3.38 0.29 -2.56 115.31 117.81 3abm h LEU 34 Ca 0.10 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.34 3abm h LEU 34 Cb 0.39 0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 3abm h LEU 34 CO 0.01 -0.63 0.23 0.44 0.09 0.00 0.00 178.44 178.58 3abm h ASP 35 N -1.01 0.02 -0.34 -0.43 3.45 -0.59 0.23 116.42 117.75 3abm h ASP 35 Ca -0.09 0.19 -0.04 0.00 0.43 0.00 0.00 57.03 57.52 3abm h ASP 35 Cb 0.81 0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 3abm h ASP 35 CO 0.10 -0.13 0.07 0.15 -1.57 0.00 0.00 179.24 177.87 3abm h PHE 36 N 0.23 0.58 0.00 4.55 3.57 -1.03 0.39 116.94 125.23 3abm h PHE 36 Ca 0.53 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.90 3abm h PHE 36 Cb 1.03 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3abm h PHE 36 CO -0.26 0.59 -0.24 0.45 -2.23 0.00 0.00 178.31 176.62 3abm h HIS 37 N 0.39 0.00 -0.02 0.41 3.86 -0.89 0.11 115.15 119.01 3abm h HIS 37 Ca 0.10 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3abm h HIS 37 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 3abm h HIS 37 CO 0.02 0.24 -0.10 0.00 0.86 0.00 0.00 177.93 178.95 3abm h ARG 38 N 0.00 0.11 -0.36 2.45 3.08 -0.41 -2.61 114.38 116.64 3abm h ARG 38 Ca -0.00 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.03 3abm h ARG 38 Cb 1.14 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.15 3abm h ARG 38 CO 0.03 0.73 -0.02 0.00 -1.07 0.00 0.00 179.97 179.65 3abm h GLU 40 N 0.08 0.92 -0.16 0.00 4.81 -0.75 -2.13 114.58 117.35 3abm h GLU 40 Ca 0.18 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3abm h GLU 40 Cb 0.25 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3abm h GLU 40 CO -0.31 0.61 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.32 3abm h LYS 41 N 0.95 0.30 -0.35 1.92 3.64 -0.78 -2.02 116.57 120.22 3abm h LYS 41 Ca 0.51 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3abm h LYS 41 Cb 0.55 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3abm h LYS 41 CO -0.29 0.56 0.22 0.00 -2.27 0.00 0.00 179.45 177.68 3abm h ALA 42 N 0.72 0.45 -0.64 5.00 0.00 -0.45 0.56 119.26 124.91 3abm h ALA 42 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3abm h ALA 42 Cb 0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3abm h ALA 42 CO 0.01 -0.06 0.41 0.52 0.00 0.00 0.00 179.25 180.13 3abm h MET 43 N 0.47 0.85 0.07 0.00 2.86 -1.47 -2.26 114.93 115.46 3abm h MET 43 Ca 0.13 -0.06 -0.25 0.00 -2.06 0.00 0.00 59.70 57.45 3abm h MET 43 Cb -0.01 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3abm h MET 43 CO -0.03 0.59 -1.20 1.15 1.06 0.00 0.00 176.91 178.48 3abm h THR 44 N 0.87 1.52 0.00 2.22 2.02 -0.73 -1.98 112.91 116.83 3abm h THR 44 Ca 0.23 -3.16 0.00 0.00 0.77 0.00 0.00 66.41 64.25 3abm h THR 44 Cb -0.06 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 3abm h THR 44 CO -0.05 0.90 0.00 0.00 0.37 0.00 0.00 175.52 176.74 3abm n ALA 45 N -2.48 0.00 0.00 6.16 0.00 0.19 -3.15 120.51 121.23 3abm n ALA 45 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3abm n ALA 45 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.45 3abm n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3abm n LYS 46 N 0.00 0.00 -1.70 0.00 4.76 -0.85 -4.71 118.16 115.66 3abm n LYS 46 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3abm n LYS 46 Cb 0.00 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 3abm n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3abm n GLY 47 N 0.73 0.00 0.00 0.72 0.00 -0.77 -4.93 105.19 100.95 3abm n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3abm n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abm n GLY 48 N 1.90 -0.64 3.34 -0.02 0.00 -1.05 -5.01 105.19 103.71 3abm n GLY 48 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3abm n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3abm s ASP 49 N -4.00 5.91 0.57 1.61 3.68 -1.26 -4.69 116.67 118.49 3abm s ASP 49 Ca 0.00 -1.36 0.26 0.00 2.13 0.00 0.00 52.55 53.58 3abm s ASP 49 Cb 0.00 -2.09 1.60 0.00 -1.45 0.00 0.00 42.92 40.98 3abm s ASP 49 CO 0.00 -0.58 2.13 0.58 0.13 0.00 0.00 175.17 177.44 3abm h VAL 50 N 5.89 0.60 0.00 1.11 2.07 -1.91 -1.70 116.25 122.30 3abm h VAL 50 Ca -0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3abm h VAL 50 Cb 1.10 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3abm h VAL 50 CO 0.81 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.86 3abm n SER 51 N -4.00 0.00 0.03 0.57 3.41 -1.26 -0.41 113.62 111.96 3abm n SER 51 Ca 0.01 0.47 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 3abm n SER 51 Cb 0.26 -0.48 0.39 0.00 -0.26 0.00 0.00 64.21 64.11 3abm n SER 51 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3abm n VAL 52 N -1.48 0.83 1.35 -3.33 0.24 -0.64 -3.10 118.33 112.19 3abm n VAL 52 Ca 0.02 0.20 0.13 0.00 -2.04 0.00 0.00 64.34 62.65 3abm n VAL 52 Cb 0.11 -0.95 0.47 0.00 -1.47 0.00 0.00 33.84 32.00 3abm n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3abm h GLU 54 N 1.34 1.12 -0.28 0.00 4.57 -1.69 -2.54 114.58 117.10 3abm h GLU 54 Ca 0.00 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.17 3abm h GLU 54 Cb 0.47 -0.25 -0.06 0.00 -0.16 0.00 0.00 28.75 28.74 3abm h GLU 54 CO 0.00 0.74 -0.12 2.35 -1.18 0.00 0.00 179.01 180.80 3abm h TRP 55 N 1.15 -0.28 -0.53 0.92 2.91 -1.87 -1.16 115.95 117.09 3abm h TRP 55 Ca 0.41 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.46 3abm h TRP 55 Cb 0.14 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.93 3abm h TRP 55 CO -0.00 -0.18 0.31 1.88 -1.03 0.00 0.00 178.44 179.42 3abm h TYR 56 N -0.07 0.69 -0.24 2.65 0.99 -1.79 -0.81 116.97 118.39 3abm h TYR 56 Ca 0.14 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.73 3abm h TYR 56 Cb 0.29 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.78 3abm h TYR 56 CO -0.31 0.47 -0.44 -0.09 -0.00 0.00 0.00 178.16 177.78 3abm h ARG 57 N 0.73 0.59 -0.17 4.88 2.43 -1.35 -1.16 114.38 120.33 3abm h ARG 57 Ca 0.19 -0.32 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 3abm h ARG 57 Cb -0.02 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3abm h ARG 57 CO -0.04 0.92 -0.12 0.00 -1.51 0.00 0.00 179.97 179.22 3abm h ARG 58 N 0.48 0.38 -0.14 0.20 2.47 -0.05 -1.61 114.38 116.11 3abm h ARG 58 Ca 0.03 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.57 3abm h ARG 58 Cb 0.96 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.27 3abm h ARG 58 CO 0.09 0.72 0.08 0.28 0.56 0.00 0.00 179.97 181.70 3abm h VAL 59 N 0.04 1.08 -0.01 2.04 2.07 -1.15 -0.18 116.25 120.15 3abm h VAL 59 Ca 0.03 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 3abm h VAL 59 Cb 0.63 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3abm h VAL 59 CO 0.03 0.08 -0.64 0.10 0.02 0.00 0.00 177.57 177.16 3abm h TYR 60 N 0.13 0.04 -0.30 1.57 -0.00 -1.23 -1.36 116.97 115.82 3abm h TYR 60 Ca 0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 58.73 58.67 3abm h TYR 60 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 36.73 36.76 3abm h TYR 60 CO -0.05 0.66 -0.19 0.87 -0.00 0.00 0.00 178.16 179.45 3abm h LYS 61 N 0.02 0.54 -0.44 0.10 1.79 -1.11 -0.70 116.57 116.77 3abm h LYS 61 Ca -0.01 -0.18 -0.14 0.00 -2.18 0.00 0.00 60.65 58.14 3abm h LYS 61 Cb 1.13 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 3abm h LYS 61 CO 0.09 0.70 -0.28 0.77 -1.08 0.00 0.00 179.45 179.65 3abm h SER 62 N 0.49 0.98 0.16 0.86 0.02 0.01 -3.37 113.55 112.70 3abm h SER 62 Ca 0.08 -0.40 -0.36 0.00 -0.84 0.00 0.00 61.79 60.27 3abm h SER 62 Cb 0.60 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3abm h SER 62 CO 0.04 1.19 -2.02 0.18 -1.14 0.00 0.00 176.83 175.08 3abm n LEU 63 N -4.09 2.39 -4.72 5.07 4.77 -0.64 -4.96 117.00 114.81 3abm n LEU 63 Ca -0.01 0.20 -0.38 0.00 -0.03 0.00 0.00 56.01 55.79 3abm n LEU 63 Cb 0.49 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 3abm n LEU 63 CO 0.47 0.80 0.16 0.00 -1.33 0.00 0.00 177.39 177.49 3abm n PRO 65 N 3.72 1.06 -0.29 0.00 -0.02 -1.26 -4.85 135.00 133.36 3abm n PRO 65 Ca -0.07 0.39 -0.05 0.00 -2.02 0.00 0.00 63.50 61.75 3abm n PRO 65 Cb 0.52 -1.92 0.09 0.00 -0.02 0.00 0.00 33.50 32.17 3abm n PRO 65 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3abm h ILE 66 N 1.15 1.26 0.00 4.25 2.04 -1.95 -2.32 117.51 121.93 3abm h ILE 66 Ca -0.44 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 64.59 3abm h ILE 66 Cb 1.36 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3abm h ILE 66 CO 0.54 0.32 -0.29 0.77 0.00 0.00 0.00 178.15 179.49 3abm h SER 67 N 1.16 0.00 -0.03 1.72 4.64 -1.99 -0.36 113.55 118.69 3abm h SER 67 Ca 0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 3abm h SER 67 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3abm h SER 67 CO -0.03 0.29 -0.06 -0.50 -0.87 0.00 0.00 176.83 175.66 3abm h TRP 68 N 0.00 0.12 -0.50 4.77 4.06 -1.80 -1.53 115.95 121.07 3abm h TRP 68 Ca -0.00 -0.04 0.10 0.00 2.06 0.00 0.00 58.89 61.00 3abm h TRP 68 Cb 0.56 -0.02 -0.10 0.00 -1.00 0.00 0.00 29.16 28.60 3abm h TRP 68 CO 0.00 0.66 -0.13 0.28 -3.56 0.00 0.00 178.44 175.69 3abm h VAL 69 N -0.45 0.49 -0.69 1.49 2.07 -1.39 0.17 116.25 117.94 3abm h VAL 69 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3abm h VAL 69 Cb 0.65 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3abm h VAL 69 CO 0.01 0.00 0.23 -1.28 0.02 0.00 0.00 177.57 176.55 3abm h SER 70 N -0.00 0.99 -0.40 0.57 0.87 -1.05 0.17 113.55 114.70 3abm h SER 70 Ca 0.24 -0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.47 3abm h SER 70 Cb 0.37 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3abm h SER 70 CO -0.52 0.93 -0.26 0.74 -0.53 0.00 0.00 176.83 177.19 3abm h THR 71 N 1.00 1.28 -0.79 2.23 2.02 -1.01 -0.52 112.91 117.12 3abm h THR 71 Ca 0.22 -1.41 -0.05 0.00 0.77 0.00 0.00 66.41 65.94 3abm h THR 71 Cb 0.28 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 3abm h THR 71 CO -0.01 0.47 0.30 -0.50 0.37 0.00 0.00 175.52 176.15 3abm h TRP 72 N 0.68 1.22 -0.39 3.16 6.55 -0.25 -1.44 115.95 125.48 3abm h TRP 72 Ca 0.08 -0.10 -0.00 0.00 0.95 0.00 0.00 58.89 59.82 3abm h TRP 72 Cb 0.83 -0.36 -0.02 0.00 -0.86 0.00 0.00 29.16 28.75 3abm h TRP 72 CO 0.06 0.93 0.24 -0.44 -1.05 0.00 0.00 178.44 178.17 3abm h ASP 73 N 1.16 0.47 -0.31 -3.49 3.45 -0.53 -0.66 116.42 116.50 3abm h ASP 73 Ca 0.26 -0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.64 3abm h ASP 73 Cb 0.24 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 3abm h ASP 73 CO -0.02 0.39 0.10 0.44 -1.57 0.00 0.00 179.24 178.58 3abm h ASP 74 N 0.52 0.52 0.55 6.45 3.32 -0.79 -1.69 116.42 125.29 3abm h ASP 74 Ca 0.14 -0.07 -0.29 0.00 0.02 0.00 0.00 57.03 56.83 3abm h ASP 74 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3abm h ASP 74 CO -0.03 0.52 -1.36 0.03 -1.72 0.00 0.00 179.24 176.68 3abm h ARG 75 N 0.56 0.27 -0.60 3.56 3.08 -0.83 -2.44 114.38 117.98 3abm h ARG 75 Ca 0.13 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 3abm h ARG 75 Cb 0.20 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3abm h ARG 75 CO -0.01 1.19 0.31 0.00 -1.07 0.00 0.00 179.97 180.39 3abm h ARG 76 N 0.07 0.83 -0.55 0.04 3.08 -0.83 -0.39 114.38 116.63 3abm h ARG 76 Ca -0.18 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 3abm h ARG 76 Cb 2.00 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.86 3abm h ARG 76 CO 0.19 0.63 0.21 0.00 -1.07 0.00 0.00 179.97 179.93 3abm h ALA 77 N 1.50 1.35 0.00 0.04 0.00 -1.25 -3.10 119.26 117.80 3abm h ALA 77 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3abm h ALA 77 Cb 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3abm h ALA 77 CO -0.03 0.49 -0.50 1.49 0.00 0.00 0.00 179.25 180.70 3abm h GLU 78 N 0.78 0.00 0.00 0.00 4.81 -0.88 -3.48 114.58 115.82 3abm h GLU 78 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3abm h GLU 78 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3abm h GLU 78 CO -0.02 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.67 3abm n GLY 79 N 1.19 0.78 0.07 1.92 0.00 -0.41 -4.98 105.19 103.76 3abm n GLY 79 Ca 0.02 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3abm n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3abm n THR 80 N -2.42 1.87 -2.55 2.61 -2.24 -0.29 -4.99 114.28 106.27 3abm n THR 80 Ca 0.00 -2.23 -0.42 0.00 -2.27 0.00 0.00 64.05 59.13 3abm n THR 80 Cb 0.00 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 3abm n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3abm s PHE 81 N -2.82 3.28 -1.01 4.78 5.36 -1.17 -4.89 117.98 121.51 3abm s PHE 81 Ca 0.31 1.34 0.27 0.00 -0.96 0.00 0.00 56.93 57.89 3abm s PHE 81 Cb 0.27 -3.34 0.83 0.00 -0.34 0.00 0.00 43.02 40.44 3abm s PHE 81 CO 0.03 -0.92 1.64 -0.35 -1.46 0.00 0.00 175.22 174.16 3abm n PRO 82 N 5.31 0.01 -2.54 10.12 -0.04 -1.26 -4.85 135.00 141.75 3abm n PRO 82 Ca 0.10 -0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.30 3abm n PRO 82 Cb 0.47 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 3abm n PRO 82 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3abm s GLY 83 N -2.99 1.60 -0.26 0.55 0.00 -1.26 -5.04 107.32 99.92 3abm s GLY 83 Ca 0.13 -0.79 -0.16 0.00 0.00 0.00 0.00 44.72 43.89 3abm s GLY 83 CO 0.62 -0.54 0.42 1.25 0.00 0.00 0.00 173.10 174.85 3abm s LYS 84 N -4.88 4.04 0.00 2.90 2.20 -1.26 -5.17 119.74 117.57 3abm s LYS 84 Ca 0.53 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 3abm s LYS 84 Cb -0.10 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 3abm s LYS 84 CO 0.43 -0.29 0.47 -0.89 -0.36 0.00 0.00 175.35 174.72