#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pdg n PRO 10 N 0.00 1.20 -2.77 3.44 -0.02 -1.26 -5.01 135.00 130.58 1pdg n PRO 10 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 1pdg n PRO 10 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1pdg n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pdg s ALA 11 N -3.96 3.29 0.13 3.55 0.00 -1.26 -5.05 121.76 118.46 1pdg s ALA 11 Ca 0.00 0.55 0.10 0.00 0.00 0.00 0.00 51.96 52.61 1pdg s ALA 11 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1pdg s ALA 11 CO 0.00 0.07 -0.25 0.00 0.00 0.00 0.00 175.76 175.58 1pdg s MET 12 N -0.40 1.33 0.79 0.00 0.23 -1.26 -5.13 119.30 114.86 1pdg s MET 12 Ca 0.44 -1.32 -0.14 0.00 -1.03 0.00 0.00 55.69 53.64 1pdg s MET 12 Cb -0.24 -1.74 0.06 0.00 -1.53 0.00 0.00 34.83 31.38 1pdg s MET 12 CO 0.30 0.41 1.08 1.51 -2.03 0.00 0.00 175.02 176.29 1pdg n ILE 13 N 0.88 2.17 -3.08 3.16 3.06 -1.26 -4.97 119.36 119.32 1pdg n ILE 13 Ca -0.18 -0.26 -0.45 0.00 -2.50 0.00 0.00 62.75 59.37 1pdg n ILE 13 Cb 0.54 -1.14 -0.03 0.00 0.54 0.00 0.00 39.64 39.55 1pdg n ILE 13 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1pdg s ALA 14 N -2.04 3.62 0.08 1.51 0.00 -1.26 -5.01 121.76 118.65 1pdg s ALA 14 Ca 0.72 -2.90 -0.10 0.00 0.00 0.00 0.00 51.96 49.68 1pdg s ALA 14 Cb -0.30 -3.82 -0.06 0.00 0.00 0.00 0.00 23.12 18.94 1pdg s ALA 14 CO 0.52 -2.68 0.16 -0.85 0.00 0.00 0.00 175.76 172.91 1pdg n GLU 15 N 5.65 0.00 -2.73 0.00 0.00 -1.26 -3.05 120.64 119.25 1pdg n GLU 15 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.91 1pdg n GLU 15 Cb 0.48 -0.35 -0.03 0.00 0.00 0.00 0.00 31.44 31.54 1pdg n GLU 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pdg n LYS 17 N 7.77 1.13 -3.93 0.00 2.85 -1.21 -4.72 118.16 120.04 1pdg n LYS 17 Ca 0.29 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.20 1pdg n LYS 17 Cb 0.50 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.75 1pdg n LYS 17 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1pdg s THR 18 N -0.01 3.63 -0.03 0.58 -4.23 -1.26 -2.33 115.64 111.99 1pdg s THR 18 Ca 0.00 -0.41 0.06 0.00 -1.18 0.00 0.00 61.69 60.16 1pdg s THR 18 Cb 0.00 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1pdg s THR 18 CO 0.00 0.41 -0.20 -0.13 -0.54 0.00 0.00 174.62 174.17 1pdg s ARG 19 N 1.39 2.29 0.62 3.99 0.52 -0.99 -4.91 118.95 121.86 1pdg s ARG 19 Ca 0.05 -0.83 -0.17 0.00 -0.52 0.00 0.00 55.73 54.26 1pdg s ARG 19 Cb -0.14 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 1pdg s ARG 19 CO -0.01 0.59 1.17 0.95 0.02 0.00 0.00 175.30 178.02 1pdg s THR 20 N -0.70 2.85 0.08 0.02 -4.23 -1.26 -3.39 115.64 109.01 1pdg s THR 20 Ca 0.11 0.48 0.01 0.00 -1.18 0.00 0.00 61.69 61.11 1pdg s THR 20 Cb -0.10 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1pdg s THR 20 CO 0.00 -0.16 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.26 1pdg s GLU 21 N -3.58 0.77 -0.08 3.99 2.02 -0.62 -4.89 118.70 116.30 1pdg s GLU 21 Ca 0.73 -1.30 -0.04 0.00 0.02 0.00 0.00 54.97 54.39 1pdg s GLU 21 Cb -0.26 -0.07 -0.04 0.00 0.10 0.00 0.00 34.13 33.86 1pdg s GLU 21 CO 0.35 -0.05 0.07 0.14 0.02 0.00 0.00 175.26 175.79 1pdg s VAL 22 N -3.72 4.87 -0.15 2.63 -7.23 -1.26 -2.06 120.40 113.47 1pdg s VAL 22 Ca 0.11 -0.09 -0.00 0.00 -1.81 0.00 0.00 61.98 60.18 1pdg s VAL 22 Cb 0.06 -3.11 0.03 0.00 0.56 0.00 0.00 36.38 33.92 1pdg s VAL 22 CO -0.06 0.56 -0.08 0.12 -0.31 0.00 0.00 175.10 175.33 1pdg s PHE 23 N -1.00 1.82 0.54 2.82 2.19 -0.91 -4.94 117.98 118.50 1pdg s PHE 23 Ca 0.16 -1.09 -0.20 0.00 0.33 0.00 0.00 56.93 56.13 1pdg s PHE 23 Cb -0.12 -1.39 -0.06 0.00 -1.31 0.00 0.00 43.02 40.15 1pdg s PHE 23 CO 0.05 -0.62 1.14 -2.00 1.83 0.00 0.00 175.22 175.62 1pdg s GLU 24 N 1.60 3.38 -0.24 10.12 2.12 -1.26 -3.48 118.70 130.94 1pdg s GLU 24 Ca 0.02 1.64 -0.07 0.00 0.36 0.00 0.00 54.97 56.93 1pdg s GLU 24 Cb -0.14 -2.05 -0.03 0.00 0.26 0.00 0.00 34.13 32.17 1pdg s GLU 24 CO -0.08 -0.83 0.06 0.42 -0.54 0.00 0.00 175.26 174.28 1pdg s ILE 25 N -1.73 4.20 -0.74 -3.70 1.01 -0.08 -4.97 121.20 115.20 1pdg s ILE 25 Ca 0.72 -0.21 -0.16 0.00 0.00 0.00 0.00 60.65 61.01 1pdg s ILE 25 Cb -0.25 -2.96 0.18 0.00 0.01 0.00 0.00 42.46 39.44 1pdg s ILE 25 CO 0.28 0.35 0.73 -0.44 0.00 0.00 0.00 174.94 175.86 1pdg s SER 26 N 1.57 6.54 0.00 3.58 0.01 -1.26 -4.94 113.70 119.20 1pdg s SER 26 Ca 0.06 -2.26 0.00 0.00 1.31 0.00 0.00 55.95 55.06 1pdg s SER 26 Cb -0.15 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1pdg s SER 26 CO 0.03 -0.75 0.00 0.54 0.41 0.00 0.00 173.24 173.46 1pdg n ARG 27 N 4.81 0.00 -1.93 12.44 1.74 -1.26 -5.21 116.66 127.25 1pdg n ARG 27 Ca 0.05 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.12 1pdg n ARG 27 Cb 0.45 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.89 1pdg n ARG 27 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1pdg n PHE 37 N 0.00 -0.15 -1.44 -1.55 3.01 -1.26 -5.11 117.46 110.96 1pdg n PHE 37 Ca 0.00 0.06 -0.49 0.00 1.01 0.00 0.00 57.45 58.03 1pdg n PHE 37 Cb 0.00 -2.33 -0.03 0.00 -0.01 0.00 0.00 39.48 37.10 1pdg n PHE 37 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 1pdg n LEU 38 N -1.34 -0.66 -3.84 4.37 -0.00 -1.24 -4.67 117.00 109.62 1pdg n LEU 38 Ca -0.01 1.14 -0.30 0.00 -0.00 0.00 0.00 56.01 56.84 1pdg n LEU 38 Cb 0.51 -0.99 -0.13 0.00 -0.00 0.00 0.00 43.42 42.80 1pdg n LEU 38 CO 0.04 -2.63 -0.20 -0.69 -0.00 0.00 0.00 177.39 173.91 1pdg s VAL 39 N -0.86 2.09 -0.07 1.47 1.01 -1.26 -2.15 120.40 120.63 1pdg s VAL 39 Ca 0.67 -3.06 -0.25 0.00 0.00 0.00 0.00 61.98 59.34 1pdg s VAL 39 Cb -0.94 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1pdg s VAL 39 CO 0.56 -0.86 0.77 0.86 0.00 0.00 0.00 175.10 176.44 1pdg s TRP 40 N -0.10 3.57 0.21 5.22 -0.00 -1.06 -2.61 118.94 124.17 1pdg s TRP 40 Ca 0.18 1.33 -0.30 0.00 -0.00 0.00 0.00 56.10 57.31 1pdg s TRP 40 Cb -0.24 -2.90 -0.08 0.00 -0.00 0.00 0.00 33.47 30.25 1pdg s TRP 40 CO -0.01 0.01 1.13 -2.14 -0.00 0.00 0.00 176.95 175.94 1pdg s PRO 41 N 1.07 4.58 0.53 5.86 0.02 -1.26 -2.95 135.00 142.84 1pdg s PRO 41 Ca 0.40 1.79 0.20 0.00 0.02 0.00 0.00 61.00 63.41 1pdg s PRO 41 Cb -0.18 -3.24 1.39 0.00 0.02 0.00 0.00 34.50 32.49 1pdg s PRO 41 CO 0.19 0.07 2.16 -1.35 -0.33 0.00 0.00 177.00 177.74 1pdg h PRO 42 N 4.70 0.00 -1.35 5.54 0.11 -1.88 -3.43 132.00 135.68 1pdg h PRO 42 Ca -0.45 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.79 1pdg h PRO 42 Cb 1.21 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.06 1pdg h PRO 42 CO 0.71 0.02 0.36 0.00 -0.21 0.00 0.00 178.00 178.88 1pdg s VAL 44 N 1.65 5.07 -0.19 0.00 -7.23 -1.23 -4.87 120.40 113.61 1pdg s VAL 44 Ca -0.07 -0.28 -0.09 0.00 -1.81 0.00 0.00 61.98 59.73 1pdg s VAL 44 Cb -0.04 -3.83 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 1pdg s VAL 44 CO -0.15 -0.54 0.12 -1.61 -0.31 0.00 0.00 175.10 172.60 1pdg s GLU 45 N -4.19 4.07 0.28 4.82 2.02 -1.26 -2.13 118.70 122.30 1pdg s GLU 45 Ca 0.42 -0.23 0.12 0.00 0.02 0.00 0.00 54.97 55.29 1pdg s GLU 45 Cb -0.10 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 1pdg s GLU 45 CO 0.36 0.35 -0.20 0.14 0.02 0.00 0.00 175.26 175.93 1pdg s VAL 46 N 0.21 2.46 -0.28 2.63 -7.23 -0.88 -4.98 120.40 112.33 1pdg s VAL 46 Ca 0.08 -2.40 -0.09 0.00 -1.81 0.00 0.00 61.98 57.75 1pdg s VAL 46 Cb -0.11 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 1pdg s VAL 46 CO -0.01 -0.41 0.13 -1.10 -0.31 0.00 0.00 175.10 173.40 1pdg s GLN 47 N -3.51 3.57 0.08 4.82 -0.21 -1.26 -1.60 119.66 121.55 1pdg s GLN 47 Ca 0.30 -0.55 0.07 0.00 0.02 0.00 0.00 55.36 55.20 1pdg s GLN 47 Cb -0.05 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 1pdg s GLN 47 CO 0.15 -0.28 -0.14 1.03 -2.12 0.00 0.00 175.29 173.92 1pdg s ARG 48 N 1.64 2.05 -0.44 2.91 3.00 -1.22 -1.03 118.95 125.86 1pdg s ARG 48 Ca 0.06 -1.03 -0.29 0.00 0.00 0.00 0.00 55.73 54.47 1pdg s ARG 48 Cb -0.16 -2.23 0.03 0.00 0.00 0.00 0.00 34.95 32.58 1pdg s ARG 48 CO 0.06 0.52 1.13 0.00 0.00 0.00 0.00 175.30 177.01 1pdg s SER 50 N 2.29 0.50 0.00 0.00 1.04 -0.98 -4.88 113.70 111.67 1pdg s SER 50 Ca 0.48 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1pdg s SER 50 Cb -0.08 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1pdg s SER 50 CO 0.28 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1pdg n GLY 51 N 2.41 -0.74 3.49 7.32 0.00 -1.26 -3.34 105.19 113.07 1pdg n GLY 51 Ca -0.17 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.07 1pdg n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pdg h ASN 54 N 0.00 -0.01 -3.24 0.00 -1.07 -2.01 -3.47 115.58 105.78 1pdg h ASN 54 Ca 0.00 -0.64 -0.45 0.00 0.07 0.00 0.00 56.30 55.28 1pdg h ASN 54 Cb 0.00 0.00 0.07 0.00 -2.07 0.00 0.00 38.32 36.32 1pdg h ASN 54 CO 0.00 0.79 0.13 0.20 0.07 0.00 0.00 177.43 178.62 1pdg s ASN 55 N -5.95 4.95 0.37 6.14 0.01 -1.26 -4.97 114.94 114.22 1pdg s ASN 55 Ca -0.13 0.25 0.24 0.00 -0.71 0.00 0.00 52.86 52.51 1pdg s ASN 55 Cb -0.02 -0.97 0.45 0.00 0.41 0.00 0.00 41.25 41.13 1pdg s ASN 55 CO 0.46 -1.45 1.63 -0.09 -1.51 0.00 0.00 177.10 176.15 1pdg h ARG 56 N -0.36 0.00 -1.68 -0.60 2.43 -1.92 -3.29 114.38 108.96 1pdg h ARG 56 Ca -0.43 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.16 1pdg h ARG 56 Cb 1.31 0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 30.44 1pdg h ARG 56 CO 0.56 0.00 -0.74 0.27 -1.51 0.00 0.00 179.97 178.55 1pdg n ASN 57 N -2.86 4.42 -3.82 -3.80 2.04 -1.26 -4.90 115.26 105.07 1pdg n ASN 57 Ca 0.04 -3.65 -0.24 0.00 -0.44 0.00 0.00 54.58 50.30 1pdg n ASN 57 Cb 0.50 -0.49 -0.17 0.00 -2.53 0.00 0.00 39.78 37.09 1pdg n ASN 57 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1pdg s VAL 58 N -5.11 0.59 0.11 3.53 1.01 -1.24 -2.47 120.40 116.81 1pdg s VAL 58 Ca 0.47 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.52 1pdg s VAL 58 Cb 0.37 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1pdg s VAL 58 CO -0.16 0.29 -0.22 -1.58 0.00 0.00 0.00 175.10 173.43 1pdg s GLN 59 N 1.83 1.19 -0.76 2.72 0.74 0.22 -4.44 119.66 121.17 1pdg s GLN 59 Ca 0.04 -1.19 -0.23 0.00 0.05 0.00 0.00 55.36 54.02 1pdg s GLN 59 Cb -0.12 -1.49 0.06 0.00 1.10 0.00 0.00 33.01 32.56 1pdg s GLN 59 CO -0.06 0.35 1.13 0.00 -0.55 0.00 0.00 175.29 176.16 1pdg s ARG 61 N 4.48 1.34 0.70 0.00 0.52 -1.26 -4.75 118.95 119.98 1pdg s ARG 61 Ca 0.30 -1.36 -0.16 0.00 -0.52 0.00 0.00 55.73 53.99 1pdg s ARG 61 Cb -0.11 -1.68 0.02 0.00 0.52 0.00 0.00 34.95 33.70 1pdg s ARG 61 CO 0.07 0.38 1.21 -1.25 0.02 0.00 0.00 175.30 175.73 1pdg s PRO 62 N -2.27 2.31 0.00 3.54 0.04 -1.26 -2.54 135.00 134.82 1pdg s PRO 62 Ca 0.14 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1pdg s PRO 62 Cb -0.09 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1pdg s PRO 62 CO 0.07 -1.71 0.00 2.41 0.04 0.00 0.00 177.00 177.81 1pdg n THR 63 N -2.50 0.00 -3.64 1.26 -1.04 -1.21 -4.81 114.28 102.34 1pdg n THR 63 Ca 0.13 -0.21 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 1pdg n THR 63 Cb 0.50 0.74 -0.07 0.00 -1.82 0.00 0.00 70.33 69.68 1pdg n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pdg s GLN 64 N -0.98 0.45 0.26 -2.82 -2.07 -1.26 -4.92 119.66 108.32 1pdg s GLN 64 Ca 0.00 0.71 0.11 0.00 -1.82 0.00 0.00 55.36 54.36 1pdg s GLN 64 Cb 0.00 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 32.00 1pdg s GLN 64 CO 0.00 -0.08 -0.15 0.14 -1.32 0.00 0.00 175.29 173.87 1pdg s VAL 65 N 1.10 2.73 -0.02 3.63 -7.23 -1.26 -0.69 120.40 118.66 1pdg s VAL 65 Ca -0.06 -2.21 0.01 0.00 -1.81 0.00 0.00 61.98 57.91 1pdg s VAL 65 Cb -0.04 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.48 1pdg s VAL 65 CO -0.13 -0.35 -0.04 -1.58 -0.31 0.00 0.00 175.10 172.69 1pdg s GLN 66 N -3.43 0.48 -0.34 4.82 2.00 0.28 -4.84 119.66 118.64 1pdg s GLN 66 Ca 0.29 -0.10 -0.03 0.00 -2.00 0.00 0.00 55.36 53.52 1pdg s GLN 66 Cb -0.06 -0.51 0.06 0.00 0.80 0.00 0.00 33.01 33.30 1pdg s GLN 66 CO 0.16 0.01 0.07 -1.17 -0.50 0.00 0.00 175.29 173.86 1pdg s LEU 67 N 0.39 4.33 -0.20 3.68 2.96 -1.26 -1.04 118.68 127.54 1pdg s LEU 67 Ca -0.04 -1.43 -0.03 0.00 -0.22 0.00 0.00 54.13 52.41 1pdg s LEU 67 Cb -0.08 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1pdg s LEU 67 CO -0.00 -0.35 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.03 1pdg s ARG 68 N 1.26 3.45 0.50 1.98 3.52 -1.08 -5.00 118.95 123.58 1pdg s ARG 68 Ca -0.01 -0.61 -0.15 0.00 -0.13 0.00 0.00 55.73 54.83 1pdg s ARG 68 Cb -0.20 -2.96 -0.07 0.00 -1.56 0.00 0.00 34.95 30.16 1pdg s ARG 68 CO -0.01 -0.06 0.95 -2.14 -0.81 0.00 0.00 175.30 173.24 1pdg s PRO 69 N 1.12 3.90 0.04 5.12 0.02 -1.26 -1.65 135.00 142.29 1pdg s PRO 69 Ca 0.02 0.86 -0.06 0.00 0.02 0.00 0.00 61.00 61.84 1pdg s PRO 69 Cb -0.15 -2.17 -0.01 0.00 0.02 0.00 0.00 34.50 32.19 1pdg s PRO 69 CO -0.00 -0.25 0.12 0.14 -0.33 0.00 0.00 177.00 176.68 1pdg s VAL 70 N -2.61 0.13 -0.21 3.83 -7.23 -0.69 -4.92 120.40 108.71 1pdg s VAL 70 Ca 0.57 -1.08 -0.12 0.00 -1.81 0.00 0.00 61.98 59.55 1pdg s VAL 70 Cb -0.10 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.86 1pdg s VAL 70 CO 0.32 -0.59 0.23 -1.10 -0.31 0.00 0.00 175.10 173.65 1pdg s GLN 71 N -2.70 4.16 -0.02 4.82 -0.21 -1.26 -1.19 119.66 123.26 1pdg s GLN 71 Ca -0.04 -0.09 0.06 0.00 0.02 0.00 0.00 55.36 55.31 1pdg s GLN 71 Cb -0.01 -3.49 -0.01 0.00 1.00 0.00 0.00 33.01 30.50 1pdg s GLN 71 CO -0.05 0.14 -0.19 0.14 -2.12 0.00 0.00 175.29 173.20 1pdg s VAL 72 N 0.82 1.53 -0.43 1.09 -7.23 1.22 -4.84 120.40 112.56 1pdg s VAL 72 Ca 0.12 -0.83 -0.24 0.00 -1.81 0.00 0.00 61.98 59.22 1pdg s VAL 72 Cb -0.13 -1.27 0.02 0.00 0.56 0.00 0.00 36.38 35.56 1pdg s VAL 72 CO 0.03 0.43 0.85 -0.13 -0.31 0.00 0.00 175.10 175.98 1pdg s ARG 73 N -0.45 3.57 -1.11 4.82 0.52 -1.15 0.18 118.95 125.34 1pdg s ARG 73 Ca 0.07 0.15 -0.15 0.00 -0.52 0.00 0.00 55.73 55.28 1pdg s ARG 73 Cb -0.08 -3.89 0.16 0.00 0.52 0.00 0.00 34.95 31.67 1pdg s ARG 73 CO -0.01 -1.08 1.32 0.21 0.02 0.00 0.00 175.30 175.76 1pdg s LYS 74 N 3.43 3.93 -0.52 3.54 2.20 0.33 -2.56 119.74 130.09 1pdg s LYS 74 Ca 0.34 -2.35 -0.28 0.00 -0.36 0.00 0.00 55.97 53.32 1pdg s LYS 74 Cb -0.12 -4.99 -0.01 0.00 -1.51 0.00 0.00 37.83 31.21 1pdg s LYS 74 CO 0.22 -1.74 1.65 0.42 -0.36 0.00 0.00 175.35 175.54 1pdg s ILE 75 N 1.80 3.58 -0.23 5.43 1.01 -0.91 -3.49 121.20 128.39 1pdg s ILE 75 Ca 0.39 0.49 -0.08 0.00 0.00 0.00 0.00 60.65 61.45 1pdg s ILE 75 Cb -0.04 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1pdg s ILE 75 CO -0.03 -0.90 0.08 -1.61 0.00 0.00 0.00 174.94 172.48 1pdg s GLU 76 N 6.01 3.79 -0.23 2.79 2.02 -1.15 -3.70 118.70 128.24 1pdg s GLU 76 Ca 0.64 -0.42 -0.21 0.00 0.02 0.00 0.00 54.97 55.00 1pdg s GLU 76 Cb -0.14 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 1pdg s GLU 76 CO 0.26 -0.02 0.64 0.42 0.02 0.00 0.00 175.26 176.57 1pdg s ILE 77 N 1.18 4.99 -0.20 -1.63 1.01 -1.26 -1.30 121.20 124.01 1pdg s ILE 77 Ca 0.05 1.18 0.01 0.00 0.00 0.00 0.00 60.65 61.89 1pdg s ILE 77 Cb -0.14 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.42 1pdg s ILE 77 CO 0.04 0.06 -0.14 -0.69 0.00 0.00 0.00 174.94 174.21 1pdg s VAL 78 N 2.24 1.82 0.00 2.92 1.01 0.31 -4.91 120.40 123.79 1pdg s VAL 78 Ca 0.28 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1pdg s VAL 78 Cb -0.16 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1pdg s VAL 78 CO 0.09 0.28 0.00 0.54 0.00 0.00 0.00 175.10 176.02 1pdg n ARG 79 N 4.64 0.00 0.00 2.72 5.12 -1.26 -1.26 116.66 126.62 1pdg n ARG 79 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1pdg n ARG 79 Cb 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.77 1pdg n ARG 79 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1pdg n LYS 80 N 0.00 0.00 -3.84 5.56 4.01 -1.26 -5.12 118.16 117.51 1pdg n LYS 80 Ca 0.00 -0.29 -0.12 0.00 -0.51 0.00 0.00 58.31 57.39 1pdg n LYS 80 Cb 0.00 -0.35 -0.12 0.00 -0.51 0.00 0.00 35.03 34.06 1pdg n LYS 80 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1pdg s LYS 81 N 0.00 0.26 -0.09 1.97 1.02 -0.39 -5.16 119.74 117.35 1pdg s LYS 81 Ca 0.00 0.02 -0.18 0.00 0.02 0.00 0.00 55.97 55.84 1pdg s LYS 81 Cb 0.00 0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 37.38 1pdg s LYS 81 CO 0.00 -0.05 0.47 -1.25 -0.92 0.00 0.00 175.35 173.60 1pdg s PRO 82 N -0.35 4.27 0.06 -1.68 0.04 -1.26 0.11 135.00 136.20 1pdg s PRO 82 Ca -0.04 0.46 0.01 0.00 0.04 0.00 0.00 61.00 61.46 1pdg s PRO 82 Cb -0.03 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1pdg s PRO 82 CO 0.01 0.26 0.16 0.42 0.04 0.00 0.00 177.00 177.89 1pdg s ILE 83 N 0.27 5.09 -0.67 0.56 1.09 -0.42 -4.95 121.20 122.18 1pdg s ILE 83 Ca 0.26 -0.51 0.03 0.00 -1.10 0.00 0.00 60.65 59.33 1pdg s ILE 83 Cb -0.16 -3.47 0.35 0.00 -1.06 0.00 0.00 42.46 38.12 1pdg s ILE 83 CO 0.11 0.15 1.24 0.49 -0.10 0.00 0.00 174.94 176.82 1pdg n PHE 84 N 0.38 3.61 -1.63 3.97 3.01 -1.26 -2.92 117.46 122.62 1pdg n PHE 84 Ca -0.07 -3.43 -0.53 0.00 1.01 0.00 0.00 57.45 54.43 1pdg n PHE 84 Cb 0.51 -0.62 -0.06 0.00 -0.01 0.00 0.00 39.48 39.30 1pdg n PHE 84 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1pdg n LYS 85 N -0.27 1.20 -3.16 -1.08 5.02 -1.23 -4.68 118.16 113.98 1pdg n LYS 85 Ca 0.37 0.44 -0.39 0.00 -2.02 0.00 0.00 58.31 56.71 1pdg n LYS 85 Cb 0.40 -2.10 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 1pdg n LYS 85 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1pdg s LYS 86 N 1.53 4.36 -0.17 1.97 2.20 -1.26 0.12 119.74 128.49 1pdg s LYS 86 Ca 0.89 0.81 -0.17 0.00 -0.36 0.00 0.00 55.97 57.14 1pdg s LYS 86 Cb -0.98 -3.34 0.05 0.00 -1.51 0.00 0.00 37.83 32.05 1pdg s LYS 86 CO 0.52 0.36 0.48 0.00 -0.36 0.00 0.00 175.35 176.35 1pdg s ALA 87 N -0.19 -1.19 -0.58 3.13 0.00 0.49 -4.90 121.76 118.52 1pdg s ALA 87 Ca 0.33 1.32 -0.19 0.00 0.00 0.00 0.00 51.96 53.42 1pdg s ALA 87 Cb -0.19 -0.74 0.09 0.00 0.00 0.00 0.00 23.12 22.29 1pdg s ALA 87 CO 0.19 -0.23 0.70 0.99 0.00 0.00 0.00 175.76 177.40 1pdg s THR 88 N 0.16 4.81 0.57 0.00 2.01 -1.25 0.38 115.64 122.33 1pdg s THR 88 Ca -0.01 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.06 1pdg s THR 88 Cb -0.03 -4.46 0.00 0.00 0.01 0.00 0.00 72.50 68.02 1pdg s THR 88 CO 0.01 -1.07 0.88 0.54 -0.69 0.00 0.00 174.62 174.29 1pdg s VAL 89 N 2.72 3.79 -0.17 3.82 0.11 -0.33 -4.88 120.40 125.46 1pdg s VAL 89 Ca 0.12 -0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.15 1pdg s VAL 89 Cb -0.23 -3.49 0.05 0.00 -1.53 0.00 0.00 36.38 31.18 1pdg s VAL 89 CO 0.07 -0.50 0.03 0.28 -3.33 0.00 0.00 175.10 171.66 1pdg s THR 90 N -2.95 0.49 0.73 5.04 -1.32 -1.26 -1.70 115.64 114.67 1pdg s THR 90 Ca 0.53 -0.42 -0.12 0.00 -1.21 0.00 0.00 61.69 60.47 1pdg s THR 90 Cb -0.10 -0.93 0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1pdg s THR 90 CO 0.45 -0.12 1.11 -0.76 -2.21 0.00 0.00 174.62 173.09 1pdg s LEU 91 N 1.88 2.80 -0.19 9.08 1.43 -0.66 -4.93 118.68 128.10 1pdg s LEU 91 Ca 0.00 1.12 -0.04 0.00 -1.03 0.00 0.00 54.13 54.18 1pdg s LEU 91 Cb -0.16 -3.85 0.06 0.00 0.03 0.00 0.00 46.19 42.27 1pdg s LEU 91 CO -0.07 -1.51 0.05 -0.70 0.23 0.00 0.00 176.35 174.35 1pdg s GLU 92 N -5.35 0.46 0.30 1.70 2.12 -1.26 -2.63 118.70 114.04 1pdg s GLU 92 Ca 0.59 -0.31 -0.14 0.00 0.36 0.00 0.00 54.97 55.47 1pdg s GLU 92 Cb -0.12 -2.02 -0.08 0.00 0.26 0.00 0.00 34.13 32.17 1pdg s GLU 92 CO 0.52 -0.65 0.69 -0.51 -0.54 0.00 0.00 175.26 174.77 1pdg s ASP 93 N 1.95 6.73 -0.27 -1.70 1.01 -0.20 -4.70 116.67 119.48 1pdg s ASP 93 Ca 0.00 1.19 -0.04 0.00 0.71 0.00 0.00 52.55 54.41 1pdg s ASP 93 Cb -0.17 -2.34 0.02 0.00 1.01 0.00 0.00 42.92 41.45 1pdg s ASP 93 CO -0.08 -0.18 0.00 -1.00 0.21 0.00 0.00 175.17 174.12 1pdg s HIS 94 N -1.95 3.11 -0.03 4.23 3.76 -0.20 -0.55 115.29 123.64 1pdg s HIS 94 Ca 0.52 -1.29 0.22 0.00 -0.15 0.00 0.00 55.06 54.37 1pdg s HIS 94 Cb -0.10 -2.15 -0.34 0.00 1.11 0.00 0.00 32.58 31.10 1pdg s HIS 94 CO 0.19 -0.66 0.47 1.28 -0.85 0.00 0.00 174.74 175.17 1pdg n LEU 95 N 4.76 0.00 -4.14 0.89 4.32 0.14 -4.65 117.00 118.31 1pdg n LEU 95 Ca -0.16 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.70 1pdg n LEU 95 Cb 0.47 0.01 -0.07 0.00 -1.62 0.00 0.00 43.42 42.22 1pdg n LEU 95 CO 0.29 0.01 -0.01 0.00 -1.22 0.00 0.00 177.39 176.46 1pdg s ALA 96 N -3.49 0.93 -0.28 -1.18 0.00 -1.13 -4.93 121.76 111.69 1pdg s ALA 96 Ca -0.08 -1.57 -0.24 0.00 0.00 0.00 0.00 51.96 50.07 1pdg s ALA 96 Cb 0.14 1.27 0.11 0.00 0.00 0.00 0.00 23.12 24.64 1pdg s ALA 96 CO 0.91 -0.72 0.95 0.00 0.00 0.00 0.00 175.76 176.89 1pdg s LYS 98 N 0.44 0.45 -0.47 0.00 2.47 -1.05 -4.91 119.74 116.67 1pdg s LYS 98 Ca 0.01 1.21 -0.46 0.00 -1.56 0.00 0.00 55.97 55.16 1pdg s LYS 98 Cb -0.05 0.56 -0.19 0.00 -1.46 0.00 0.00 37.83 36.69 1pdg s LYS 98 CO -0.06 -0.26 1.64 0.00 0.16 0.00 0.00 175.35 176.82 1pdg s GLU 100 N 3.16 2.09 -0.22 0.00 2.02 0.16 -4.86 118.70 121.05 1pdg s GLU 100 Ca 1.04 -1.16 -0.28 0.00 0.02 0.00 0.00 54.97 54.59 1pdg s GLU 100 Cb -1.44 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 30.58 1pdg s GLU 100 CO 0.79 0.47 0.98 0.95 0.02 0.00 0.00 175.26 178.47 1pdg s THR 101 N -1.49 4.73 -0.28 3.63 -4.23 -1.26 0.73 115.64 117.47 1pdg s THR 101 Ca 0.23 1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 62.64 1pdg s THR 101 Cb -0.10 -4.26 0.17 0.00 1.34 0.00 0.00 72.50 69.65 1pdg s THR 101 CO 0.15 -0.13 0.54 0.54 -0.54 0.00 0.00 174.62 175.17 1pdg s VAL 102 N 2.94 -0.89 -0.23 2.29 0.11 -1.03 -4.93 120.40 118.67 1pdg s VAL 102 Ca 0.42 -0.02 -0.35 0.00 -2.93 0.00 0.00 61.98 59.10 1pdg s VAL 102 Cb -0.15 -0.94 -0.12 0.00 -1.53 0.00 0.00 36.38 33.63 1pdg s VAL 102 CO 0.08 -0.03 1.98 0.00 -3.33 0.00 0.00 175.10 173.80 1pdg n ALA 103 N 5.41 0.78 -1.91 1.54 0.00 -1.26 -4.53 120.51 120.54 1pdg n ALA 103 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1pdg n ALA 103 Cb 0.51 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1pdg n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50