#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pdg s ALA 8 N 0.00 3.50 0.38 -1.28 0.00 -1.26 -5.04 121.76 118.07 1pdg s ALA 8 Ca 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 1pdg s ALA 8 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1pdg s ALA 8 CO 0.00 -0.75 0.65 -1.21 0.00 0.00 0.00 175.76 174.45 1pdg s GLU 9 N 2.41 3.57 0.64 0.00 8.01 -1.26 -5.08 118.70 126.99 1pdg s GLU 9 Ca 0.46 0.02 -0.14 0.00 0.01 0.00 0.00 54.97 55.32 1pdg s GLU 9 Cb -0.17 -2.54 -0.01 0.00 -4.31 0.00 0.00 34.13 27.10 1pdg s GLU 9 CO 0.14 0.03 1.06 -1.25 0.01 0.00 0.00 175.26 175.25 1pdg s PRO 10 N -4.20 3.08 0.37 0.39 0.04 -1.26 -5.03 135.00 128.40 1pdg s PRO 10 Ca 0.45 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 62.38 1pdg s PRO 10 Cb -0.10 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1pdg s PRO 10 CO 0.37 -0.99 0.94 0.00 0.04 0.00 0.00 177.00 177.36 1pdg s ALA 11 N -2.67 3.14 -0.08 8.56 0.00 -1.26 -5.07 121.76 124.37 1pdg s ALA 11 Ca 0.62 0.46 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1pdg s ALA 11 Cb -0.16 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1pdg s ALA 11 CO 0.44 0.16 -0.12 1.41 0.00 0.00 0.00 175.76 177.65 1pdg s MET 12 N -2.56 1.83 0.44 0.00 1.75 -1.26 -5.11 119.30 114.39 1pdg s MET 12 Ca 0.55 -0.43 -0.23 0.00 -1.25 0.00 0.00 55.69 54.33 1pdg s MET 12 Cb -0.14 -1.57 -0.11 0.00 2.84 0.00 0.00 34.83 35.84 1pdg s MET 12 CO 0.19 -0.04 0.75 1.51 -0.65 0.00 0.00 175.02 176.78 1pdg n ILE 13 N 4.09 2.20 -2.59 10.11 0.13 -1.26 -4.86 119.36 127.18 1pdg n ILE 13 Ca -0.20 -0.50 -0.43 0.00 -1.10 0.00 0.00 62.75 60.52 1pdg n ILE 13 Cb 0.51 -0.81 0.00 0.00 -0.84 0.00 0.00 39.64 38.50 1pdg n ILE 13 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1pdg n ALA 14 N -0.83 4.12 -1.49 1.51 0.00 -1.26 -4.96 120.51 117.59 1pdg n ALA 14 Ca 0.11 -4.06 -0.48 0.00 0.00 0.00 0.00 53.44 49.01 1pdg n ALA 14 Cb 0.40 -3.32 -0.03 0.00 0.00 0.00 0.00 19.45 16.50 1pdg n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pdg n GLU 15 N 6.55 0.59 -2.74 0.00 2.13 -1.26 -2.24 120.64 123.67 1pdg n GLU 15 Ca 0.44 0.21 -0.43 0.00 0.66 0.00 0.00 57.16 58.04 1pdg n GLU 15 Cb 0.43 -1.44 -0.03 0.00 0.27 0.00 0.00 31.44 30.66 1pdg n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pdg n LYS 17 N 7.76 0.00 -2.52 0.00 -0.00 -1.23 -4.69 118.16 117.48 1pdg n LYS 17 Ca 0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.94 1pdg n LYS 17 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.48 1pdg n LYS 17 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1pdg s THR 18 N -2.29 4.38 0.12 0.58 -1.32 -1.26 -3.23 115.64 112.61 1pdg s THR 18 Ca 0.00 1.69 0.04 0.00 -1.21 0.00 0.00 61.69 62.21 1pdg s THR 18 Cb 0.00 -4.09 -0.04 0.00 -1.51 0.00 0.00 72.50 66.86 1pdg s THR 18 CO 0.00 0.05 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.23 1pdg s ARG 19 N 1.78 0.95 0.17 7.08 0.52 -0.73 -4.94 118.95 123.79 1pdg s ARG 19 Ca 0.55 -1.32 -0.21 0.00 -0.52 0.00 0.00 55.73 54.23 1pdg s ARG 19 Cb -0.24 -0.56 -0.08 0.00 0.52 0.00 0.00 34.95 34.60 1pdg s ARG 19 CO 0.24 0.07 0.71 0.99 0.02 0.00 0.00 175.30 177.33 1pdg s THR 20 N -2.97 4.54 0.09 0.02 2.01 -1.26 -2.60 115.64 115.46 1pdg s THR 20 Ca 0.12 1.41 0.06 0.00 0.31 0.00 0.00 61.69 63.58 1pdg s THR 20 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1pdg s THR 20 CO -0.00 0.38 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.56 1pdg s GLU 21 N -1.52 0.90 -0.35 4.92 0.41 -1.01 -4.99 118.70 117.06 1pdg s GLU 21 Ca 0.38 -1.05 -0.09 0.00 -0.41 0.00 0.00 54.97 53.79 1pdg s GLU 21 Cb -0.19 -0.88 0.02 0.00 -1.78 0.00 0.00 34.13 31.29 1pdg s GLU 21 CO 0.22 0.19 0.16 0.08 -0.49 0.00 0.00 175.26 175.43 1pdg s VAL 22 N -1.52 4.38 -0.48 2.63 1.01 -1.26 -2.24 120.40 122.91 1pdg s VAL 22 Ca 0.02 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 1pdg s VAL 22 Cb -0.08 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 33.00 1pdg s VAL 22 CO 0.03 -0.12 0.39 0.12 0.00 0.00 0.00 175.10 175.51 1pdg s PHE 23 N 1.53 3.28 0.20 5.22 5.36 0.02 -4.83 117.98 128.76 1pdg s PHE 23 Ca 0.02 -1.21 -0.30 0.00 -0.96 0.00 0.00 56.93 54.48 1pdg s PHE 23 Cb -0.19 -3.29 -0.09 0.00 -0.34 0.00 0.00 43.02 39.11 1pdg s PHE 23 CO 0.05 -0.87 1.34 -2.00 -1.46 0.00 0.00 175.22 172.28 1pdg s GLU 24 N 1.57 4.36 0.12 10.12 2.56 -1.26 -0.78 118.70 135.39 1pdg s GLU 24 Ca 0.04 2.10 -0.10 0.00 0.00 0.00 0.00 54.97 57.00 1pdg s GLU 24 Cb -0.25 -3.19 -0.06 0.00 2.00 0.00 0.00 34.13 32.63 1pdg s GLU 24 CO 0.04 -0.30 0.46 0.42 -0.56 0.00 0.00 175.26 175.32 1pdg s ILE 25 N 0.20 5.02 -0.18 -3.70 1.01 -0.29 -4.80 121.20 118.47 1pdg s ILE 25 Ca 0.58 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.72 1pdg s ILE 25 Cb -0.37 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.49 1pdg s ILE 25 CO 0.38 0.20 0.02 -0.94 0.00 0.00 0.00 174.94 174.60 1pdg s SER 26 N -1.89 2.80 0.45 3.58 1.04 -1.26 -4.84 113.70 113.58 1pdg s SER 26 Ca 0.37 -0.74 -0.22 0.00 0.48 0.00 0.00 55.95 55.84 1pdg s SER 26 Cb -0.14 -0.64 -0.09 0.00 0.10 0.00 0.00 66.02 65.25 1pdg s SER 26 CO 0.19 -0.28 1.04 -0.22 0.98 0.00 0.00 173.24 174.96 1pdg s LEU 38 N 1.82 3.97 0.00 2.42 0.20 -1.26 -5.26 118.68 120.57 1pdg s LEU 38 Ca -0.00 1.97 0.00 0.00 0.69 0.00 0.00 54.13 56.79 1pdg s LEU 38 Cb -0.16 -4.41 0.00 0.00 -0.43 0.00 0.00 46.19 41.19 1pdg s LEU 38 CO -0.07 -0.66 0.00 0.52 -0.29 0.00 0.00 176.35 175.84 1pdg n VAL 39 N -0.60 0.00 0.00 1.68 0.31 -1.26 -4.27 118.33 114.19 1pdg n VAL 39 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1pdg n VAL 39 Cb 0.51 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1pdg n VAL 39 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1pdg n TRP 40 N -0.15 0.00 -2.34 3.52 -0.00 -1.24 -4.61 117.44 112.62 1pdg n TRP 40 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.08 1pdg n TRP 40 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 1pdg n TRP 40 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1pdg s PRO 41 N 0.00 4.40 0.00 5.87 0.04 -1.26 -1.91 135.00 142.13 1pdg s PRO 41 Ca 0.00 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1pdg s PRO 41 Cb 0.00 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1pdg s PRO 41 CO 0.00 -0.31 0.00 -2.30 0.04 0.00 0.00 177.00 174.43 1pdg n PRO 42 N 3.86 0.00 -1.61 0.56 -0.02 -1.26 -4.80 135.00 131.73 1pdg n PRO 42 Ca 0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.28 1pdg n PRO 42 Cb 0.45 -0.26 0.19 0.00 -0.02 0.00 0.00 33.50 33.86 1pdg n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pdg s VAL 44 N -3.51 0.00 -0.15 0.00 0.11 0.04 -4.81 120.40 112.08 1pdg s VAL 44 Ca 0.71 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.49 1pdg s VAL 44 Cb -0.07 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1pdg s VAL 44 CO 0.54 0.00 0.89 -1.61 -3.33 0.00 0.00 175.10 171.58 1pdg s GLU 45 N -2.36 4.34 -0.05 1.54 2.02 -1.26 -0.80 118.70 122.13 1pdg s GLU 45 Ca 0.04 1.14 -0.05 0.00 0.02 0.00 0.00 54.97 56.11 1pdg s GLU 45 Cb -0.01 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.68 1pdg s GLU 45 CO -0.05 -0.31 0.13 0.54 0.02 0.00 0.00 175.26 175.59 1pdg s VAL 46 N 2.06 0.00 0.54 2.63 0.11 -0.95 -4.98 120.40 119.82 1pdg s VAL 46 Ca 0.42 -0.04 -0.18 0.00 -2.93 0.00 0.00 61.98 59.24 1pdg s VAL 46 Cb -0.17 -0.21 -0.06 0.00 -1.53 0.00 0.00 36.38 34.41 1pdg s VAL 46 CO 0.14 -0.02 1.08 -1.10 -3.33 0.00 0.00 175.10 171.87 1pdg s GLN 47 N -0.00 3.46 -0.24 1.54 -0.21 -1.26 -2.40 119.66 120.55 1pdg s GLN 47 Ca -0.01 1.41 -0.27 0.00 0.02 0.00 0.00 55.36 56.51 1pdg s GLN 47 Cb -0.01 -2.04 0.13 0.00 1.00 0.00 0.00 33.01 32.09 1pdg s GLN 47 CO 0.00 -0.72 1.05 1.03 -2.12 0.00 0.00 175.29 174.53 1pdg s ARG 48 N -3.52 0.50 0.16 2.91 1.81 -1.07 -3.55 118.95 116.19 1pdg s ARG 48 Ca 0.68 0.40 -0.30 0.00 -1.72 0.00 0.00 55.73 54.79 1pdg s ARG 48 Cb -0.19 0.24 -0.08 0.00 -0.45 0.00 0.00 34.95 34.47 1pdg s ARG 48 CO 0.28 -0.10 1.28 0.00 -0.68 0.00 0.00 175.30 176.08 1pdg s SER 50 N 0.52 -0.06 0.00 0.00 0.01 -1.20 -4.94 113.70 108.03 1pdg s SER 50 Ca 0.57 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1pdg s SER 50 Cb -0.34 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1pdg s SER 50 CO 0.35 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1pdg n GLY 51 N 2.88 2.40 3.29 3.44 0.00 -1.26 -3.51 105.19 112.43 1pdg n GLY 51 Ca -0.13 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 1pdg n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pdg n ASN 54 N 2.38 0.00 -4.42 0.00 4.13 -1.26 -3.97 115.26 112.12 1pdg n ASN 54 Ca -0.17 0.00 -0.50 0.00 1.68 0.00 0.00 54.58 55.58 1pdg n ASN 54 Cb 0.52 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.67 1pdg n ASN 54 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1pdg n ASN 55 N 0.00 1.59 -0.37 6.41 5.03 -1.26 -4.66 115.26 121.99 1pdg n ASN 55 Ca 0.00 0.36 0.38 0.00 0.87 0.00 0.00 54.58 56.19 1pdg n ASN 55 Cb 0.00 -1.16 0.75 0.00 -1.02 0.00 0.00 39.78 38.35 1pdg n ASN 55 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1pdg h ARG 56 N 12.21 0.00 -0.19 3.52 2.43 -2.04 1.47 114.38 131.79 1pdg h ARG 56 Ca -0.20 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.77 1pdg h ARG 56 Cb 1.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1pdg h ARG 56 CO 1.10 0.00 -0.68 -0.91 -1.51 0.00 0.00 179.97 177.97 1pdg h ASN 57 N 0.00 0.87 -3.64 -3.80 4.21 -1.89 -3.43 115.58 107.91 1pdg h ASN 57 Ca 0.62 -0.53 -0.55 0.00 1.21 0.00 0.00 56.30 57.04 1pdg h ASN 57 Cb 2.53 -0.25 0.11 0.00 -1.12 0.00 0.00 38.32 39.59 1pdg h ASN 57 CO -0.01 1.31 0.65 0.52 -1.29 0.00 0.00 177.43 178.61 1pdg n VAL 58 N -3.95 2.02 -4.84 2.81 0.31 0.50 -4.99 118.33 110.20 1pdg n VAL 58 Ca -0.06 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.51 1pdg n VAL 58 Cb 0.69 -1.78 -0.15 0.00 -0.91 0.00 0.00 33.84 31.69 1pdg n VAL 58 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1pdg s GLN 59 N -2.01 1.54 -0.38 5.55 0.74 -1.26 -4.54 119.66 119.30 1pdg s GLN 59 Ca 0.54 -0.84 -0.17 0.00 0.05 0.00 0.00 55.36 54.94 1pdg s GLN 59 Cb -0.52 -1.57 0.01 0.00 1.10 0.00 0.00 33.01 32.03 1pdg s GLN 59 CO 0.63 0.42 0.46 0.00 -0.55 0.00 0.00 175.29 176.25 1pdg s ARG 61 N 2.24 1.21 0.26 0.00 0.52 -0.87 -4.86 118.95 117.45 1pdg s ARG 61 Ca 0.15 -1.60 -0.30 0.00 -0.52 0.00 0.00 55.73 53.47 1pdg s ARG 61 Cb -0.16 0.28 -0.09 0.00 0.52 0.00 0.00 34.95 35.50 1pdg s ARG 61 CO 0.14 -0.40 1.28 -1.25 0.02 0.00 0.00 175.30 175.08 1pdg s PRO 62 N -4.15 4.41 -0.01 3.54 0.04 -1.26 -2.20 135.00 135.37 1pdg s PRO 62 Ca 0.37 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.53 1pdg s PRO 62 Cb 0.06 -3.15 0.09 0.00 0.04 0.00 0.00 34.50 31.55 1pdg s PRO 62 CO 0.11 -0.17 1.07 -2.37 0.04 0.00 0.00 177.00 175.69 1pdg n THR 63 N 1.77 1.08 -3.55 1.26 5.66 -1.18 -4.94 114.28 114.37 1pdg n THR 63 Ca 0.03 -1.09 0.03 0.00 -3.05 0.00 0.00 64.05 59.96 1pdg n THR 63 Cb 0.43 0.44 -0.06 0.00 -1.55 0.00 0.00 70.33 69.59 1pdg n THR 63 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1pdg s GLN 64 N -1.14 0.05 0.09 1.09 -0.21 -1.25 -4.95 119.66 113.33 1pdg s GLN 64 Ca 0.08 0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.55 1pdg s GLN 64 Cb 0.05 0.02 0.00 0.00 1.00 0.00 0.00 33.01 34.08 1pdg s GLN 64 CO 0.04 -0.01 0.01 1.55 -2.12 0.00 0.00 175.29 174.75 1pdg n VAL 65 N 3.41 0.00 -3.53 1.09 3.14 -1.26 -3.07 118.33 118.10 1pdg n VAL 65 Ca -0.15 -0.41 -0.11 0.00 -2.96 0.00 0.00 64.34 60.72 1pdg n VAL 65 Cb 0.56 0.01 -0.04 0.00 -1.06 0.00 0.00 33.84 33.32 1pdg n VAL 65 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1pdg s GLN 66 N -2.32 0.79 -0.07 1.45 0.74 -1.22 -4.65 119.66 114.38 1pdg s GLN 66 Ca 0.01 -0.08 0.04 0.00 0.05 0.00 0.00 55.36 55.38 1pdg s GLN 66 Cb -0.00 0.37 0.00 0.00 1.10 0.00 0.00 33.01 34.48 1pdg s GLN 66 CO 0.00 -0.30 -0.17 -0.51 -0.55 0.00 0.00 175.29 173.76 1pdg s LEU 67 N -1.83 1.87 -0.22 3.68 1.43 -1.26 -2.11 118.68 120.22 1pdg s LEU 67 Ca 0.00 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1pdg s LEU 67 Cb -0.01 -1.05 0.09 0.00 0.03 0.00 0.00 46.19 45.25 1pdg s LEU 67 CO -0.03 0.11 0.14 0.00 0.23 0.00 0.00 176.35 176.81 1pdg s ARG 68 N 0.35 0.15 0.30 1.70 1.70 -0.93 -4.99 118.95 117.23 1pdg s ARG 68 Ca -0.12 -0.18 -0.27 0.00 -0.47 0.00 0.00 55.73 54.69 1pdg s ARG 68 Cb -0.15 -1.40 -0.10 0.00 -0.57 0.00 0.00 34.95 32.73 1pdg s ARG 68 CO 0.05 -0.81 0.94 -1.25 -1.08 0.00 0.00 175.30 173.15 1pdg s PRO 69 N 2.18 4.66 0.00 3.89 0.04 -1.26 0.11 135.00 144.62 1pdg s PRO 69 Ca 0.06 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.52 1pdg s PRO 69 Cb -0.16 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 1pdg s PRO 69 CO -0.21 0.35 -0.16 0.14 0.04 0.00 0.00 177.00 177.16 1pdg s VAL 70 N -1.49 1.27 0.14 -0.36 -7.23 -0.35 -4.89 120.40 107.49 1pdg s VAL 70 Ca 0.47 -0.78 -0.20 0.00 -1.81 0.00 0.00 61.98 59.66 1pdg s VAL 70 Cb -0.21 -1.08 -0.07 0.00 0.56 0.00 0.00 36.38 35.58 1pdg s VAL 70 CO 0.26 0.28 0.66 0.00 -0.31 0.00 0.00 175.10 175.99 1pdg s GLN 71 N -0.58 4.29 -0.02 4.82 -2.07 -1.26 -0.19 119.66 124.64 1pdg s GLN 71 Ca 0.06 0.86 0.04 0.00 -1.82 0.00 0.00 55.36 54.49 1pdg s GLN 71 Cb -0.07 -3.13 -0.01 0.00 -1.09 0.00 0.00 33.01 28.72 1pdg s GLN 71 CO -0.00 0.55 -0.14 0.08 -1.32 0.00 0.00 175.29 174.46 1pdg s VAL 72 N -1.25 1.16 -0.27 3.63 1.01 -0.40 -4.92 120.40 119.36 1pdg s VAL 72 Ca 0.35 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1pdg s VAL 72 Cb -0.19 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 1pdg s VAL 72 CO 0.21 0.33 1.26 -0.13 0.00 0.00 0.00 175.10 176.78 1pdg s ARG 73 N -0.14 4.02 -1.09 2.72 0.52 -0.80 -1.80 118.95 122.37 1pdg s ARG 73 Ca 0.02 1.34 -0.05 0.00 -0.52 0.00 0.00 55.73 56.52 1pdg s ARG 73 Cb -0.08 -3.83 0.30 0.00 0.52 0.00 0.00 34.95 31.87 1pdg s ARG 73 CO 0.00 -0.98 1.47 1.17 0.02 0.00 0.00 175.30 176.99 1pdg n LYS 74 N 7.06 4.38 -1.70 3.54 0.00 0.46 -3.64 118.16 128.26 1pdg n LYS 74 Ca 0.14 -4.51 -0.44 0.00 0.00 0.00 0.00 58.31 53.51 1pdg n LYS 74 Cb 0.46 -2.53 -0.02 0.00 0.00 0.00 0.00 35.03 32.94 1pdg n LYS 74 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1pdg n ILE 75 N 1.50 1.03 -3.69 3.15 5.41 -1.25 0.31 119.36 125.82 1pdg n ILE 75 Ca 0.26 -0.26 -0.29 0.00 1.00 0.00 0.00 62.75 63.47 1pdg n ILE 75 Cb 0.34 -1.66 -0.12 0.00 -0.71 0.00 0.00 39.64 37.49 1pdg n ILE 75 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1pdg s GLU 76 N -0.52 1.43 -1.15 0.38 -6.30 -1.24 -4.75 118.70 106.55 1pdg s GLU 76 Ca 0.66 -2.26 -0.09 0.00 -2.50 0.00 0.00 54.97 50.78 1pdg s GLU 76 Cb -0.59 -2.37 0.25 0.00 0.00 0.00 0.00 34.13 31.41 1pdg s GLU 76 CO 0.50 -1.22 1.38 -0.89 0.02 0.00 0.00 175.26 175.05 1pdg n ILE 77 N 3.14 4.66 -2.14 -3.70 5.41 -1.26 -1.74 119.36 123.73 1pdg n ILE 77 Ca 0.14 -5.23 0.00 0.00 1.00 0.00 0.00 62.75 58.66 1pdg n ILE 77 Cb 0.37 -2.41 0.00 0.00 -0.71 0.00 0.00 39.64 36.89 1pdg n ILE 77 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1pdg n VAL 78 N 2.88 0.00 -1.04 1.39 0.24 -1.12 -4.89 118.33 115.79 1pdg n VAL 78 Ca 0.30 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.48 1pdg n VAL 78 Cb 0.38 -1.11 -0.12 0.00 -1.47 0.00 0.00 33.84 31.52 1pdg n VAL 78 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1pdg n ARG 79 N -0.37 0.00 -3.94 7.34 1.74 -1.26 -1.95 116.66 118.23 1pdg n ARG 79 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1pdg n ARG 79 Cb 0.00 -0.78 -0.07 0.00 -1.02 0.00 0.00 32.46 30.59 1pdg n ARG 79 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1pdg n LYS 80 N 4.03 -0.80 -3.60 5.56 3.00 -1.26 -4.85 118.16 120.24 1pdg n LYS 80 Ca 0.35 0.11 -0.29 0.00 -0.00 0.00 0.00 58.31 58.47 1pdg n LYS 80 Cb 0.20 -3.63 -0.13 0.00 0.00 0.00 0.00 35.03 31.47 1pdg n LYS 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1pdg s LYS 81 N -6.07 0.73 -0.71 1.64 -0.14 -0.82 -5.07 119.74 109.31 1pdg s LYS 81 Ca 0.57 -1.35 -0.27 0.00 -1.36 0.00 0.00 55.97 53.56 1pdg s LYS 81 Cb -0.33 -1.71 0.02 0.00 -1.68 0.00 0.00 37.83 34.13 1pdg s LYS 81 CO 0.82 -1.12 1.41 -2.14 -0.76 0.00 0.00 175.35 173.55 1pdg s PRO 82 N 1.13 3.08 -0.45 -1.68 0.02 -1.26 -2.79 135.00 133.04 1pdg s PRO 82 Ca 0.15 -0.03 0.06 0.00 0.02 0.00 0.00 61.00 61.20 1pdg s PRO 82 Cb -0.21 -4.22 0.21 0.00 0.02 0.00 0.00 34.50 30.29 1pdg s PRO 82 CO -0.10 -2.26 0.58 0.44 -0.33 0.00 0.00 177.00 175.33 1pdg n ILE 83 N 6.57 -0.56 -0.94 2.83 -5.35 -0.71 -5.05 119.36 116.15 1pdg n ILE 83 Ca 0.07 -2.58 -0.30 0.00 -0.27 0.00 0.00 62.75 59.66 1pdg n ILE 83 Cb 0.50 -0.46 0.15 0.00 -1.74 0.00 0.00 39.64 38.09 1pdg n ILE 83 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1pdg s PHE 84 N 0.10 1.99 0.23 4.28 -0.12 -1.26 -3.65 117.98 119.55 1pdg s PHE 84 Ca 0.33 1.52 0.04 0.00 -0.05 0.00 0.00 56.93 58.76 1pdg s PHE 84 Cb 0.10 -3.19 -0.01 0.00 -0.63 0.00 0.00 43.02 39.28 1pdg s PHE 84 CO -0.15 -2.60 0.23 1.63 -0.05 0.00 0.00 175.22 174.28 1pdg n LYS 85 N -4.07 0.34 -3.80 1.99 4.01 0.90 -4.74 118.16 112.79 1pdg n LYS 85 Ca 0.09 -2.20 -0.27 0.00 -0.51 0.00 0.00 58.31 55.43 1pdg n LYS 85 Cb 0.53 1.88 -0.17 0.00 -0.51 0.00 0.00 35.03 36.76 1pdg n LYS 85 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1pdg s LYS 86 N -2.83 0.92 0.62 1.97 1.02 -1.26 0.17 119.74 120.36 1pdg s LYS 86 Ca 0.25 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 55.96 1pdg s LYS 86 Cb 0.01 -1.78 0.09 0.00 -0.52 0.00 0.00 37.83 35.63 1pdg s LYS 86 CO 0.18 -0.48 0.86 0.00 -0.92 0.00 0.00 175.35 174.99 1pdg s ALA 87 N 1.81 4.13 -0.05 5.17 0.00 -0.74 -4.90 121.76 127.17 1pdg s ALA 87 Ca 0.01 -1.80 -0.00 0.00 0.00 0.00 0.00 51.96 50.17 1pdg s ALA 87 Cb -0.15 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.18 1pdg s ALA 87 CO -0.07 -1.06 -0.01 0.95 0.00 0.00 0.00 175.76 175.56 1pdg s THR 88 N -2.87 0.35 -0.17 0.00 -4.23 -1.26 -1.27 115.64 106.18 1pdg s THR 88 Ca 0.63 0.05 -0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1pdg s THR 88 Cb -0.07 -0.45 0.04 0.00 1.34 0.00 0.00 72.50 73.36 1pdg s THR 88 CO 0.41 0.21 -0.05 0.54 -0.54 0.00 0.00 174.62 175.19 1pdg s VAL 89 N 1.40 1.17 -0.04 2.29 0.11 0.73 -4.92 120.40 121.15 1pdg s VAL 89 Ca -0.04 -0.71 -0.25 0.00 -2.93 0.00 0.00 61.98 58.05 1pdg s VAL 89 Cb -0.13 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 1pdg s VAL 89 CO -0.03 0.10 0.79 0.42 -3.33 0.00 0.00 175.10 173.05 1pdg s THR 90 N 1.60 4.98 0.07 5.04 -4.23 -1.26 -1.22 115.64 120.62 1pdg s THR 90 Ca -0.00 1.63 -0.10 0.00 -1.18 0.00 0.00 61.69 62.05 1pdg s THR 90 Cb -0.16 -4.13 -0.06 0.00 1.34 0.00 0.00 72.50 69.50 1pdg s THR 90 CO -0.08 0.23 0.39 -0.76 -0.54 0.00 0.00 174.62 173.86 1pdg s LEU 91 N 0.83 4.36 -0.33 4.79 1.43 0.30 -4.91 118.68 125.13 1pdg s LEU 91 Ca 0.42 0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 54.24 1pdg s LEU 91 Cb -0.19 -2.93 0.04 0.00 0.03 0.00 0.00 46.19 43.14 1pdg s LEU 91 CO 0.21 0.19 0.10 -0.70 0.23 0.00 0.00 176.35 176.38 1pdg s GLU 92 N -1.85 2.66 0.67 1.70 2.12 -1.26 -2.18 118.70 120.56 1pdg s GLU 92 Ca 0.32 -1.15 0.01 0.00 0.36 0.00 0.00 54.97 54.51 1pdg s GLU 92 Cb -0.14 -3.44 0.10 0.00 0.26 0.00 0.00 34.13 30.91 1pdg s GLU 92 CO 0.18 -0.64 0.92 -0.51 -0.54 0.00 0.00 175.26 174.67 1pdg s ASP 93 N 1.41 4.63 -0.31 -1.70 1.11 -0.90 -4.62 116.67 116.29 1pdg s ASP 93 Ca -0.01 -0.35 -0.02 0.00 0.18 0.00 0.00 52.55 52.34 1pdg s ASP 93 Cb -0.19 -0.15 0.11 0.00 1.07 0.00 0.00 42.92 43.75 1pdg s ASP 93 CO 0.03 -1.65 0.14 -1.00 1.18 0.00 0.00 175.17 173.87 1pdg s HIS 94 N -3.00 0.79 0.24 4.23 3.76 -1.23 -3.44 115.29 116.64 1pdg s HIS 94 Ca 0.64 -1.28 0.16 0.00 -0.15 0.00 0.00 55.06 54.43 1pdg s HIS 94 Cb -0.06 -1.14 0.67 0.00 1.11 0.00 0.00 32.58 33.16 1pdg s HIS 94 CO 0.42 -0.84 1.75 -0.07 -0.85 0.00 0.00 174.74 175.15 1pdg h LEU 95 N 8.01 0.00 -6.12 0.89 3.38 -1.81 -3.41 115.31 116.26 1pdg h LEU 95 Ca -0.13 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.07 1pdg h LEU 95 Cb 1.00 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.52 1pdg h LEU 95 CO 0.42 0.41 0.21 0.00 0.09 0.00 0.00 178.44 179.57 1pdg s ALA 96 N -3.75 -3.27 0.46 1.53 0.00 -1.26 -5.00 121.76 110.48 1pdg s ALA 96 Ca -0.01 1.61 0.05 0.00 0.00 0.00 0.00 51.96 53.61 1pdg s ALA 96 Cb 0.12 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.88 1pdg s ALA 96 CO 0.70 -1.28 0.64 0.00 0.00 0.00 0.00 175.76 175.83 1pdg s LYS 98 N -4.50 0.71 -0.15 0.00 3.01 -0.93 -4.90 119.74 112.97 1pdg s LYS 98 Ca 0.55 0.97 -0.29 0.00 -1.01 0.00 0.00 55.97 56.19 1pdg s LYS 98 Cb -0.10 0.28 -0.03 0.00 -1.01 0.00 0.00 37.83 36.97 1pdg s LYS 98 CO 0.35 -0.11 1.54 0.00 0.51 0.00 0.00 175.35 177.64