#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmz s ASP 12 N 0.00 6.20 0.00 1.08 1.11 -1.26 -4.50 116.67 119.31 2pmz s ASP 12 Ca 0.00 -0.67 0.00 0.00 0.18 0.00 0.00 52.55 52.06 2pmz s ASP 12 Cb 0.00 -2.48 0.00 0.00 1.07 0.00 0.00 42.92 41.51 2pmz s ASP 12 CO 0.00 -1.56 0.00 0.18 1.18 0.00 0.00 175.17 174.97 2pmz n LEU 13 N 8.32 -0.97 0.00 1.23 4.77 -1.26 -5.09 117.00 124.00 2pmz n LEU 13 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pmz n LEU 13 Cb 0.47 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2pmz n LEU 13 CO 0.67 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 178.14 2pmz n HIS 14 N -0.36 0.00 0.00 -1.77 8.25 -1.26 -4.16 115.22 115.91 2pmz n HIS 14 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2pmz n HIS 14 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 2pmz n HIS 14 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2pmz n PHE 15 N -0.55 0.00 0.00 4.41 1.16 -1.26 -1.12 117.46 120.09 2pmz n PHE 15 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2pmz n PHE 15 Cb 0.00 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 37.78 2pmz n PHE 15 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2pmz n ASN 16 N -2.12 0.00 -0.21 5.98 4.13 -1.26 0.18 115.26 121.96 2pmz n ASN 16 Ca 0.00 0.70 -0.04 0.00 1.68 0.00 0.00 54.58 56.92 2pmz n ASN 16 Cb 0.00 -0.20 0.02 0.00 -1.54 0.00 0.00 39.78 38.06 2pmz n ASN 16 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2pmz h GLU 17 N 0.00 -0.12 -0.67 3.52 5.08 -1.29 1.15 114.58 122.25 2pmz h GLU 17 Ca 0.00 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2pmz h GLU 17 Cb 0.00 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2pmz h GLU 17 CO 0.00 -0.08 0.44 0.28 -1.00 0.00 0.00 179.01 178.65 2pmz h VAL 18 N -0.13 0.94 0.00 3.13 2.07 -1.02 -1.89 116.25 119.35 2pmz h VAL 18 Ca 0.25 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2pmz h VAL 18 Cb 0.54 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2pmz h VAL 18 CO -0.69 0.10 0.00 0.33 0.02 0.00 0.00 177.57 177.34 2pmz n PHE 19 N -4.48 0.00 -0.20 1.57 7.35 0.48 -1.30 117.46 120.88 2pmz n PHE 19 Ca 0.11 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.75 2pmz n PHE 19 Cb 0.32 -0.21 -0.05 0.00 0.35 0.00 0.00 39.48 39.89 2pmz n PHE 19 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2pmz n ILE 20 N -1.14 -0.32 -0.10 -2.13 5.41 0.27 0.11 119.36 121.47 2pmz n ILE 20 Ca 0.00 1.38 -0.06 0.00 1.00 0.00 0.00 62.75 65.07 2pmz n ILE 20 Cb 0.00 -1.72 0.02 0.00 -0.71 0.00 0.00 39.64 37.22 2pmz n ILE 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2pmz h SER 21 N 0.00 -0.06 0.00 4.38 4.64 -1.49 0.98 113.55 121.99 2pmz h SER 21 Ca 0.07 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2pmz h SER 21 Cb 0.19 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2pmz h SER 21 CO -0.44 0.00 0.01 0.18 -0.87 0.00 0.00 176.83 175.71 2pmz n LEU 22 N -5.13 0.00 -0.63 5.97 4.77 0.30 -1.91 117.00 120.36 2pmz n LEU 22 Ca 0.01 0.07 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 2pmz n LEU 22 Cb 0.17 -0.07 0.20 0.00 -2.33 0.00 0.00 43.42 41.39 2pmz n LEU 22 CO 0.23 -0.07 0.43 0.79 -1.33 0.00 0.00 177.39 177.44 2pmz n TRP 23 N -1.04 0.16 0.97 -1.77 5.03 0.34 -4.51 117.44 116.62 2pmz n TRP 23 Ca 0.00 -1.46 0.14 0.00 3.03 0.00 0.00 57.50 59.20 2pmz n TRP 23 Cb 0.01 -0.28 0.55 0.00 -1.03 0.00 0.00 31.31 30.56 2pmz n TRP 23 CO 0.00 0.00 0.00 1.04 -0.03 0.00 0.00 177.69 178.70 2pmz n GLN 24 N -1.14 0.02 -1.66 -0.99 6.02 -0.80 -4.09 117.38 114.73 2pmz n GLN 24 Ca 0.21 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.79 2pmz n GLN 24 Cb 0.74 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 30.47 2pmz n GLN 24 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2pmz n ASN 25 N -1.55 3.93 0.00 1.08 3.02 -1.26 -4.91 115.26 115.57 2pmz n ASN 25 Ca 0.07 -2.81 0.00 0.00 -0.03 0.00 0.00 54.58 51.80 2pmz n ASN 25 Cb 0.35 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.91 2pmz n ASN 25 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2pmz n ARG 26 N 6.08 0.00 -1.36 3.52 1.74 -1.26 -4.91 116.66 120.47 2pmz n ARG 26 Ca 0.53 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 2pmz n ARG 26 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 2pmz n ARG 26 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pmz n LEU 27 N 0.00 -1.22 -4.32 0.55 4.32 -1.26 -5.05 117.00 110.02 2pmz n LEU 27 Ca 0.00 1.48 -0.27 0.00 -0.02 0.00 0.00 56.01 57.19 2pmz n LEU 27 Cb 0.00 -2.28 -0.14 0.00 -1.62 0.00 0.00 43.42 39.38 2pmz n LEU 27 CO 0.00 0.14 -0.55 0.42 -1.22 0.00 0.00 177.39 176.18 2pmz s THR 28 N -3.00 1.95 0.10 -5.08 -4.23 -1.26 -4.92 115.64 99.20 2pmz s THR 28 Ca 0.00 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2pmz s THR 28 Cb 0.00 -1.72 0.12 0.00 1.34 0.00 0.00 72.50 72.25 2pmz s THR 28 CO 0.00 0.15 0.48 0.54 -0.54 0.00 0.00 174.62 175.25 2pmz n ARG 29 N 1.40 -0.02 -0.01 3.99 1.74 -1.26 0.20 116.66 122.70 2pmz n ARG 29 Ca -0.18 0.45 -0.18 0.00 -0.77 0.00 0.00 57.85 57.17 2pmz n ARG 29 Cb 0.53 -0.73 -0.08 0.00 -1.02 0.00 0.00 32.46 31.16 2pmz n ARG 29 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2pmz h TYR 30 N 0.00 1.06 -0.53 -1.55 -1.99 -1.97 0.16 116.97 112.15 2pmz h TYR 30 Ca 0.21 -0.49 -0.11 0.00 2.00 0.00 0.00 58.73 60.33 2pmz h TYR 30 Cb 0.47 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 2pmz h TYR 30 CO -0.11 1.33 -0.11 0.93 -0.00 0.00 0.00 178.16 180.19 2pmz h GLU 31 N 0.50 0.99 -0.11 4.88 5.08 0.20 0.40 114.58 126.51 2pmz h GLU 31 Ca -0.07 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 2pmz h GLU 31 Cb 1.47 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 2pmz h GLU 31 CO 0.17 1.04 0.03 0.82 -1.00 0.00 0.00 179.01 180.07 2pmz h ILE 32 N 0.88 1.20 0.00 3.13 2.04 -1.00 -2.91 117.51 120.85 2pmz h ILE 32 Ca 0.14 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2pmz h ILE 32 Cb 0.67 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2pmz h ILE 32 CO 0.05 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.38 2pmz n ALA 33 N -2.25 -0.22 -0.23 1.87 0.00 0.54 -2.44 120.51 117.78 2pmz n ALA 33 Ca -0.06 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.60 2pmz n ALA 33 Cb 0.15 0.23 0.39 0.00 0.00 0.00 0.00 19.45 20.22 2pmz n ALA 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2pmz n ARG 34 N -2.26 -0.03 -0.04 0.00 3.00 0.14 -0.89 116.66 116.57 2pmz n ARG 34 Ca 0.00 0.83 -0.14 0.00 -0.00 0.00 0.00 57.85 58.54 2pmz n ARG 34 Cb 0.00 -1.54 -0.11 0.00 0.00 0.00 0.00 32.46 30.81 2pmz n ARG 34 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2pmz h VAL 35 N 0.00 1.56 0.00 5.15 -1.51 -1.28 -1.58 116.25 118.59 2pmz h VAL 35 Ca 0.54 -1.74 -0.01 0.00 -1.23 0.00 0.00 66.70 64.25 2pmz h VAL 35 Cb 1.54 2.70 -0.00 0.00 -2.13 0.00 0.00 31.29 33.40 2pmz h VAL 35 CO -0.41 0.46 -0.03 0.40 -1.23 0.00 0.00 177.57 176.77 2pmz h ILE 36 N -0.63 0.36 -0.08 7.19 2.04 -0.91 0.88 117.51 126.37 2pmz h ILE 36 Ca -0.01 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 2pmz h ILE 36 Cb 0.79 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2pmz h ILE 36 CO 0.01 0.03 -0.39 0.28 0.00 0.00 0.00 178.15 178.09 2pmz h SER 37 N 0.00 0.17 0.00 1.72 0.02 -0.66 -0.01 113.55 114.79 2pmz h SER 37 Ca -0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2pmz h SER 37 Cb 0.10 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2pmz h SER 37 CO 0.00 0.54 -0.01 0.00 -1.14 0.00 0.00 176.83 176.23 2pmz h ALA 38 N 1.47 0.00 -1.45 3.77 0.00 0.16 -3.35 119.26 119.86 2pmz h ALA 38 Ca 0.01 -0.15 0.42 0.00 0.00 0.00 0.00 54.91 55.20 2pmz h ALA 38 Cb 0.75 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2pmz h ALA 38 CO 0.06 0.01 1.14 -0.09 0.00 0.00 0.00 179.25 180.37 2pmz h ARG 39 N -0.03 0.00 0.48 0.00 9.65 -0.74 0.82 114.38 124.56 2pmz h ARG 39 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2pmz h ARG 39 Cb 0.01 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2pmz h ARG 39 CO 0.00 0.00 -0.29 0.00 2.80 0.00 0.00 179.97 182.48 2pmz h ALA 40 N 1.08 -0.73 0.21 2.80 0.00 -1.14 -1.86 119.26 119.62 2pmz h ALA 40 Ca 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 2pmz h ALA 40 Cb 2.97 0.36 0.00 0.00 0.00 0.00 0.00 17.79 21.12 2pmz h ALA 40 CO -0.01 -0.93 -0.10 1.25 0.00 0.00 0.00 179.25 179.46 2pmz h LEU 41 N -0.73 -0.24 -0.97 0.00 5.85 0.47 -2.89 115.31 116.79 2pmz h LEU 41 Ca -0.05 -0.26 0.30 0.00 0.84 0.00 0.00 57.88 58.70 2pmz h LEU 41 Cb 0.60 0.06 -0.18 0.00 0.37 0.00 0.00 40.66 41.51 2pmz h LEU 41 CO 0.05 0.17 0.13 0.00 -0.34 0.00 0.00 178.44 178.46 2pmz n GLN 42 N -5.04 -0.07 -0.04 1.25 3.00 -0.33 0.40 117.38 116.56 2pmz n GLN 42 Ca -0.09 1.43 -0.13 0.00 -0.01 0.00 0.00 57.00 58.20 2pmz n GLN 42 Cb 0.25 -2.33 -0.09 0.00 0.00 0.00 0.00 30.24 28.07 2pmz n GLN 42 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2pmz h LEU 43 N 0.00 0.24 0.00 1.08 3.38 -1.31 -2.38 115.31 116.32 2pmz h LEU 43 Ca 0.64 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2pmz h LEU 43 Cb 1.43 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2pmz h LEU 43 CO -0.88 0.73 0.00 0.00 0.09 0.00 0.00 178.44 178.38 2pmz n ALA 44 N -2.42 2.15 -0.03 1.53 0.00 0.54 -1.59 120.51 120.69 2pmz n ALA 44 Ca -0.07 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2pmz n ALA 44 Cb 0.35 -1.17 0.11 0.00 0.00 0.00 0.00 19.45 18.75 2pmz n ALA 44 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2pmz n MET 45 N -0.78 2.34 0.00 0.00 2.81 0.16 -5.05 117.12 116.60 2pmz n MET 45 Ca 0.08 -1.79 0.00 0.00 -1.81 0.00 0.00 57.70 54.18 2pmz n MET 45 Cb 0.04 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 2pmz n MET 45 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pmz n GLY 46 N 0.43 1.08 1.20 3.03 0.00 -0.62 -4.98 105.19 105.33 2pmz n GLY 46 Ca 0.09 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2pmz n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pmz n ALA 47 N 0.90 -1.00 -1.72 4.61 0.00 -1.24 -4.46 120.51 117.60 2pmz n ALA 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2pmz n ALA 47 Cb 0.00 -0.37 0.07 0.00 0.00 0.00 0.00 19.45 19.15 2pmz n ALA 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pmz s PRO 48 N 0.00 2.52 -1.39 0.00 0.04 -1.26 -4.71 135.00 130.20 2pmz s PRO 48 Ca 0.00 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 62.97 2pmz s PRO 48 Cb 0.00 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.71 2pmz s PRO 48 CO 0.00 -1.62 2.25 0.00 0.04 0.00 0.00 177.00 177.67 2pmz n ALA 49 N -1.94 5.46 0.00 8.56 0.00 -1.26 -4.97 120.51 126.36 2pmz n ALA 49 Ca 0.16 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.82 2pmz n ALA 49 Cb 0.48 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.40 2pmz n ALA 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pmz n LEU 50 N 6.04 0.00 0.00 0.00 4.32 -1.26 -2.44 117.00 123.65 2pmz n LEU 50 Ca 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.53 2pmz n LEU 50 Cb 0.38 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 2pmz n LEU 50 CO 0.91 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 176.70 2pmz n ILE 51 N 0.00 0.00 -3.03 -0.08 5.41 -1.26 -4.74 119.36 115.65 2pmz n ILE 51 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 2pmz n ILE 51 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 2pmz n ILE 51 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2pmz n ASP 52 N 0.00 -1.83 -4.51 4.38 2.03 -1.02 -4.95 116.55 110.66 2pmz n ASP 52 Ca 0.00 -2.77 -0.32 0.00 0.52 0.00 0.00 54.79 52.23 2pmz n ASP 52 Cb 0.00 0.64 0.16 0.00 -0.72 0.00 0.00 41.12 41.20 2pmz n ASP 52 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2pmz n ILE 53 N 2.45 0.00 -3.15 5.18 -0.00 -1.26 -4.97 119.36 117.61 2pmz n ILE 53 Ca 0.21 -0.16 0.06 0.00 -0.00 0.00 0.00 62.75 62.86 2pmz n ILE 53 Cb 0.54 -0.81 -0.00 0.00 -0.00 0.00 0.00 39.64 39.37 2pmz n ILE 53 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2pmz s ASN 54 N -2.28 -0.21 -0.42 4.38 3.84 -1.26 -4.78 114.94 114.21 2pmz s ASN 54 Ca 0.62 0.05 0.05 0.00 0.21 0.00 0.00 52.86 53.78 2pmz s ASN 54 Cb -0.21 1.14 0.18 0.00 -0.55 0.00 0.00 41.25 41.80 2pmz s ASN 54 CO 0.63 -0.04 0.39 0.59 -2.79 0.00 0.00 177.10 175.89 2pmz n ASN 55 N 5.17 -0.77 0.00 -4.21 3.02 -1.26 -4.75 115.26 112.47 2pmz n ASN 55 Ca 0.05 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 2pmz n ASN 55 Cb 0.57 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 2pmz n ASN 55 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2pmz n LEU 56 N 2.75 -0.79 0.00 3.41 7.94 -1.26 -5.02 117.00 124.03 2pmz n LEU 56 Ca 0.28 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 2pmz n LEU 56 Cb 0.49 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.03 2pmz n LEU 56 CO 0.08 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.12 2pmz n SER 57 N 1.63 0.00 0.00 1.96 2.88 -1.26 -5.07 113.62 113.76 2pmz n SER 57 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2pmz n SER 57 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2pmz n SER 57 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2pmz n SER 58 N 0.00 0.00 -3.15 -3.46 7.64 -1.26 -5.06 113.62 108.33 2pmz n SER 58 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 2pmz n SER 58 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2pmz n SER 58 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2pmz s THR 59 N 0.00 -0.63 0.00 0.44 2.01 -1.26 -5.10 115.64 111.10 2pmz s THR 59 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2pmz s THR 59 Cb 0.00 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.82 2pmz s THR 59 CO 0.00 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.40 2pmz n ASP 60 N 5.29 0.00 0.00 3.53 10.43 -1.26 -4.27 116.55 130.27 2pmz n ASP 60 Ca 0.05 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.41 2pmz n ASP 60 Cb 0.55 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.51 2pmz n ASP 60 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 2pmz n VAL 61 N 0.00 0.00 0.00 2.53 0.31 -1.26 -4.38 118.33 115.53 2pmz n VAL 61 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2pmz n VAL 61 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2pmz n VAL 61 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2pmz n ILE 62 N 0.00 0.00 0.09 2.52 5.41 -1.26 -4.21 119.36 121.91 2pmz n ILE 62 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.77 2pmz n ILE 62 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 2pmz n ILE 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2pmz n SER 63 N 0.91 2.25 -0.54 4.38 3.41 -1.26 -4.35 113.62 118.41 2pmz n SER 63 Ca 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2pmz n SER 63 Cb 0.00 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 2pmz n SER 63 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2pmz n ILE 64 N -1.39 0.07 -0.01 -1.33 -5.35 -1.26 0.16 119.36 110.24 2pmz n ILE 64 Ca -0.00 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.54 2pmz n ILE 64 Cb 0.09 -0.51 -0.12 0.00 -1.74 0.00 0.00 39.64 37.35 2pmz n ILE 64 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pmz n ALA 65 N 0.07 2.49 -0.02 -1.28 0.00 -1.26 -3.98 120.51 116.52 2pmz n ALA 65 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.81 2pmz n ALA 65 Cb 0.25 -0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.07 2pmz n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pmz n GLU 66 N -2.12 0.72 0.01 0.00 1.02 0.41 -2.06 120.64 118.62 2pmz n GLU 66 Ca -0.05 0.25 -0.03 0.00 -0.02 0.00 0.00 57.16 57.31 2pmz n GLU 66 Cb 0.48 -1.71 0.21 0.00 -0.02 0.00 0.00 31.44 30.41 2pmz n GLU 66 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2pmz h GLU 67 N 0.05 0.49 -0.00 3.49 4.22 -1.55 -1.54 114.58 119.73 2pmz h GLU 67 Ca -0.41 -0.17 0.00 0.00 0.08 0.00 0.00 59.36 58.86 2pmz h GLU 67 Cb 2.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2pmz h GLU 67 CO 0.07 0.68 -0.27 -0.85 -2.18 0.00 0.00 179.01 176.46 2pmz n GLU 68 N -4.14 0.15 0.04 1.92 0.28 -1.25 -3.17 120.64 114.46 2pmz n GLU 68 Ca -0.00 -0.06 -0.20 0.00 -0.16 0.00 0.00 57.16 56.74 2pmz n GLU 68 Cb 0.39 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.65 2pmz n GLU 68 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2pmz h PHE 69 N 0.15 0.95 0.55 -1.84 3.57 -0.73 -2.97 116.94 116.62 2pmz h PHE 69 Ca 0.00 -0.53 -0.02 0.00 3.53 0.00 0.00 57.97 60.95 2pmz h PHE 69 Cb 0.48 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2pmz h PHE 69 CO 0.00 1.36 -0.36 0.00 -2.23 0.00 0.00 178.31 177.09 2pmz h ARG 70 N 0.26 -0.82 0.00 1.11 3.08 -1.29 -1.24 114.38 115.48 2pmz h ARG 70 Ca -0.13 0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2pmz h ARG 70 Cb 1.64 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.88 2pmz h ARG 70 CO 0.19 -0.55 0.00 -2.13 -1.07 0.00 0.00 179.97 176.41 2pmz n ARG 71 N -4.61 0.00 -3.93 0.04 3.00 -1.20 -4.75 116.66 105.21 2pmz n ARG 71 Ca -0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.45 2pmz n ARG 71 Cb 0.36 -1.08 -0.03 0.00 0.00 0.00 0.00 32.46 31.71 2pmz n ARG 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2pmz n GLY 72 N -0.57 -0.35 0.12 5.14 0.00 -0.47 -4.82 105.19 104.24 2pmz n GLY 72 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 2pmz n GLY 72 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pmz n VAL 73 N -3.85 1.48 -1.94 1.61 0.24 -1.13 -4.93 118.33 109.82 2pmz n VAL 73 Ca -0.16 -0.68 -0.42 0.00 -2.04 0.00 0.00 64.34 61.04 2pmz n VAL 73 Cb 0.47 -1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 31.68 2pmz n VAL 73 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2pmz s LEU 74 N -6.21 4.37 0.00 1.34 0.05 -1.25 -4.88 118.68 112.09 2pmz s LEU 74 Ca -0.25 2.62 0.00 0.00 0.05 0.00 0.00 54.13 56.55 2pmz s LEU 74 Cb 0.08 -3.60 0.00 0.00 -2.05 0.00 0.00 46.19 40.62 2pmz s LEU 74 CO 0.69 -0.82 0.51 -2.65 -0.55 0.00 0.00 176.35 173.54 2pmz n PRO 75 N 3.83 0.88 -1.89 1.48 -0.02 -1.26 -4.86 135.00 133.17 2pmz n PRO 75 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2pmz n PRO 75 Cb 0.39 -1.38 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 2pmz n PRO 75 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pmz s ILE 76 N -0.83 3.39 -0.11 4.25 1.01 -1.26 -4.97 121.20 122.67 2pmz s ILE 76 Ca 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 60.65 61.08 2pmz s ILE 76 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 2pmz s ILE 76 CO 0.00 -0.10 -0.04 -0.89 0.00 0.00 0.00 174.94 173.92 2pmz s THR 77 N 5.01 3.96 -0.12 2.92 2.01 -1.24 -4.40 115.64 123.78 2pmz s THR 77 Ca 0.80 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 62.34 2pmz s THR 77 Cb -0.34 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 2pmz s THR 77 CO 0.33 0.55 0.21 -0.63 -0.69 0.00 0.00 174.62 174.40 2pmz s ILE 78 N -0.31 5.37 -0.23 1.82 1.09 -0.77 -4.96 121.20 123.21 2pmz s ILE 78 Ca 0.05 0.38 -0.01 0.00 -1.10 0.00 0.00 60.65 59.97 2pmz s ILE 78 Cb -0.12 -3.51 0.02 0.00 -1.06 0.00 0.00 42.46 37.79 2pmz s ILE 78 CO 0.02 0.55 -0.09 -0.13 -0.10 0.00 0.00 174.94 175.19 2pmz s ARG 79 N -0.58 2.92 -0.66 2.79 0.52 -1.26 -1.54 118.95 121.15 2pmz s ARG 79 Ca 0.16 -0.91 -0.06 0.00 -0.52 0.00 0.00 55.73 54.40 2pmz s ARG 79 Cb -0.13 -2.90 0.17 0.00 0.52 0.00 0.00 34.95 32.61 2pmz s ARG 79 CO 0.05 -0.34 0.51 1.03 0.02 0.00 0.00 175.30 176.57 2pmz s ARG 80 N 1.33 2.81 -0.58 3.54 0.52 0.83 -4.92 118.95 122.48 2pmz s ARG 80 Ca 0.02 -2.43 -0.26 0.00 -0.52 0.00 0.00 55.73 52.53 2pmz s ARG 80 Cb -0.16 -3.93 0.04 0.00 0.52 0.00 0.00 34.95 31.42 2pmz s ARG 80 CO -0.06 -1.20 1.09 -0.98 0.02 0.00 0.00 175.30 174.16 2pmz s ARG 81 N 0.14 3.41 0.75 3.54 1.70 -1.26 -1.74 118.95 125.49 2pmz s ARG 81 Ca 0.16 -0.03 -0.04 0.00 -0.47 0.00 0.00 55.73 55.35 2pmz s ARG 81 Cb -0.18 -4.05 0.12 0.00 -0.57 0.00 0.00 34.95 30.28 2pmz s ARG 81 CO -0.05 -1.63 1.04 -0.48 -1.08 0.00 0.00 175.30 173.11 2pmz s LEU 82 N 4.55 2.93 0.52 -1.89 2.34 -1.12 -4.95 118.68 121.06 2pmz s LEU 82 Ca 0.37 -0.10 0.34 0.00 0.06 0.00 0.00 54.13 54.80 2pmz s LEU 82 Cb -0.10 -2.27 1.51 0.00 -0.56 0.00 0.00 46.19 44.77 2pmz s LEU 82 CO 0.22 -1.94 2.01 1.55 -1.06 0.00 0.00 176.35 177.12 2pmz h PRO 83 N -0.71 0.00 -0.11 1.48 0.13 -1.95 -2.62 132.00 128.22 2pmz h PRO 83 Ca -0.40 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.77 2pmz h PRO 83 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2pmz h PRO 83 CO 0.44 0.00 0.18 -0.91 -0.23 0.00 0.00 178.00 177.48 2pmz h ASN 84 N 0.00 0.00 0.00 1.44 2.35 -1.99 -3.45 115.58 113.93 2pmz h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pmz h ASN 84 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2pmz h ASN 84 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2pmz n GLY 85 N -1.31 3.39 3.72 2.83 0.00 -0.99 -5.04 105.19 107.79 2pmz n GLY 85 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2pmz n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pmz s LYS 86 N -0.79 4.48 -0.92 1.61 3.01 -1.26 -4.87 119.74 121.00 2pmz s LYS 86 Ca 0.00 1.70 -0.10 0.00 -1.01 0.00 0.00 55.97 56.56 2pmz s LYS 86 Cb 0.00 -3.35 0.24 0.00 -1.01 0.00 0.00 37.83 33.71 2pmz s LYS 86 CO 0.00 -0.16 0.86 0.42 0.51 0.00 0.00 175.35 176.98 2pmz s ILE 87 N 0.79 5.50 0.04 2.17 1.09 -1.26 -2.77 121.20 126.76 2pmz s ILE 87 Ca 0.56 -2.95 -0.31 0.00 -1.10 0.00 0.00 60.65 56.85 2pmz s ILE 87 Cb -0.28 -4.37 -0.06 0.00 -1.06 0.00 0.00 42.46 36.68 2pmz s ILE 87 CO 0.30 -1.08 1.43 -0.63 -0.10 0.00 0.00 174.94 174.87 2pmz s ILE 88 N -0.47 3.52 -0.12 2.92 -1.09 -0.71 -4.67 121.20 120.58 2pmz s ILE 88 Ca 0.23 0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 59.62 2pmz s ILE 88 Cb -0.11 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2pmz s ILE 88 CO -0.08 0.02 -0.05 -1.48 -1.23 0.00 0.00 174.94 172.12 2pmz s LEU 89 N 2.09 1.12 -0.10 2.97 2.34 -1.25 0.29 118.68 126.12 2pmz s LEU 89 Ca 0.65 -0.35 -0.10 0.00 0.06 0.00 0.00 54.13 54.39 2pmz s LEU 89 Cb -0.34 -0.74 -0.05 0.00 -0.56 0.00 0.00 46.19 44.51 2pmz s LEU 89 CO 0.28 -0.16 0.23 -1.48 -1.06 0.00 0.00 176.35 174.16 2pmz s LEU 90 N 1.77 4.37 -0.01 1.48 2.34 -0.59 -4.94 118.68 123.11 2pmz s LEU 90 Ca 0.04 0.58 -0.07 0.00 0.06 0.00 0.00 54.13 54.73 2pmz s LEU 90 Cb -0.13 -2.26 -0.04 0.00 -0.56 0.00 0.00 46.19 43.20 2pmz s LEU 90 CO -0.07 0.31 0.62 0.77 -1.06 0.00 0.00 176.35 176.92 2pmz h SER 91 N 5.39 -0.22 0.00 1.48 4.64 -1.88 -2.04 113.55 120.92 2pmz h SER 91 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2pmz h SER 91 Cb 1.21 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2pmz h SER 91 CO 0.64 -0.07 0.00 -0.11 -0.87 0.00 0.00 176.83 176.42