#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9r s ARG 2 N 0.00 2.07 0.21 -0.52 6.06 -1.26 -1.94 118.95 123.57 1b9r s ARG 2 Ca 0.00 -1.51 -0.20 0.00 -2.50 0.00 0.00 55.73 51.52 1b9r s ARG 2 Cb 0.00 -2.04 0.04 0.00 0.06 0.00 0.00 34.95 33.01 1b9r s ARG 2 CO 0.00 0.36 0.59 0.08 -2.50 0.00 0.00 175.30 173.83 1b9r s VAL 3 N -2.32 0.01 -0.23 7.11 1.01 0.77 0.26 120.40 127.01 1b9r s VAL 3 Ca 0.30 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1b9r s VAL 3 Cb -0.06 -1.53 0.12 0.00 0.00 0.00 0.00 36.38 34.91 1b9r s VAL 3 CO 0.18 -0.06 0.34 -0.69 0.00 0.00 0.00 175.10 174.87 1b9r s VAL 4 N -3.85 -0.53 0.71 2.92 1.01 0.27 0.26 120.40 121.19 1b9r s VAL 4 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1b9r s VAL 4 Cb -0.02 -0.78 0.10 0.00 0.00 0.00 0.00 36.38 35.68 1b9r s VAL 4 CO -0.03 -0.15 0.99 -0.36 0.00 0.00 0.00 175.10 175.55 1b9r s PHE 5 N 2.49 2.13 0.13 5.22 0.40 -0.35 0.40 117.98 128.40 1b9r s PHE 5 Ca 0.11 -0.01 -0.14 0.00 -0.60 0.00 0.00 56.93 56.29 1b9r s PHE 5 Cb -0.15 -3.11 0.03 0.00 0.51 0.00 0.00 43.02 40.29 1b9r s PHE 5 CO -0.15 -1.57 0.37 0.42 0.70 0.00 0.00 175.22 174.98 1b9r s ILE 6 N -3.16 0.08 0.02 0.64 -1.09 0.64 -0.03 121.20 118.29 1b9r s ILE 6 Ca 0.64 -0.74 -0.04 0.00 -2.23 0.00 0.00 60.65 58.27 1b9r s ILE 6 Cb -0.07 -1.26 0.02 0.00 -1.58 0.00 0.00 42.46 39.56 1b9r s ILE 6 CO 0.44 -0.36 0.21 -0.67 -1.23 0.00 0.00 174.94 173.33 1b9r n ASP 7 N -0.20 -0.29 -0.62 3.58 -0.08 -1.26 -1.33 116.55 116.34 1b9r n ASP 7 Ca -0.15 -1.13 0.08 0.00 -1.51 0.00 0.00 54.79 52.08 1b9r n ASP 7 Cb 0.63 0.47 0.06 0.00 2.34 0.00 0.00 41.12 44.62 1b9r n ASP 7 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1b9r n GLU 8 N -0.15 1.43 0.01 -0.67 2.13 -1.26 -2.35 120.64 119.78 1b9r n GLU 8 Ca 0.00 -1.38 -0.21 0.00 0.66 0.00 0.00 57.16 56.23 1b9r n GLU 8 Cb 0.11 -1.32 -0.14 0.00 0.27 0.00 0.00 31.44 30.36 1b9r n GLU 8 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1b9r h GLN 9 N 3.05 0.27 0.00 5.31 1.08 -1.97 -3.41 115.11 119.44 1b9r h GLN 9 Ca 0.00 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1b9r h GLN 9 Cb 0.68 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1b9r h GLN 9 CO 0.00 1.21 0.00 0.45 -0.95 0.00 0.00 178.83 179.54 1b9r n SER 10 N -3.48 0.41 -1.14 1.46 2.88 -1.26 -5.00 113.62 107.48 1b9r n SER 10 Ca -0.31 -0.79 -0.15 0.00 -1.33 0.00 0.00 58.87 56.29 1b9r n SER 10 Cb 1.05 0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 64.63 1b9r n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b9r n GLY 11 N 0.18 1.47 0.00 0.46 0.00 -0.99 -4.87 105.19 101.44 1b9r n GLY 11 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1b9r n GLY 11 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b9r n GLU 12 N -1.97 0.00 -3.02 1.61 2.13 -1.26 -4.55 120.64 113.58 1b9r n GLU 12 Ca -0.15 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.52 1b9r n GLU 12 Cb 0.56 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.29 1b9r n GLU 12 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1b9r n TYR 13 N -0.57 -0.92 -1.56 4.31 4.02 0.96 -4.77 117.16 118.63 1b9r n TYR 13 Ca 0.00 -3.20 -0.43 0.00 -0.01 0.00 0.00 57.90 54.26 1b9r n TYR 13 Cb 0.00 0.33 -0.00 0.00 -0.02 0.00 0.00 39.34 39.64 1b9r n TYR 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1b9r n ALA 14 N 0.30 -0.44 -3.00 -0.72 0.00 -1.25 -1.21 120.51 114.19 1b9r n ALA 14 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1b9r n ALA 14 Cb 0.68 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1b9r n ALA 14 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1b9r n VAL 15 N -0.24 0.00 -3.63 0.00 3.14 0.72 -4.76 118.33 113.57 1b9r n VAL 15 Ca 0.10 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.38 1b9r n VAL 15 Cb 0.36 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.11 1b9r n VAL 15 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1b9r s ASP 16 N 2.00 -0.38 0.08 6.55 1.11 -1.25 0.27 116.67 125.06 1b9r s ASP 16 Ca 0.00 -0.30 0.01 0.00 0.18 0.00 0.00 52.55 52.44 1b9r s ASP 16 Cb 0.00 0.61 -0.00 0.00 1.07 0.00 0.00 42.92 44.59 1b9r s ASP 16 CO 0.00 -1.06 0.09 0.00 1.18 0.00 0.00 175.17 175.37 1b9r n ALA 17 N -0.37 0.10 -3.74 5.23 0.00 -0.82 -4.67 120.51 116.24 1b9r n ALA 17 Ca -0.12 -0.47 -0.15 0.00 0.00 0.00 0.00 53.44 52.71 1b9r n ALA 17 Cb 0.63 0.38 -0.15 0.00 0.00 0.00 0.00 19.45 20.30 1b9r n ALA 17 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1b9r s GLN 18 N -2.30 0.03 -0.42 0.00 -0.21 -1.26 0.29 119.66 115.79 1b9r s GLN 18 Ca 0.09 0.33 -0.36 0.00 0.02 0.00 0.00 55.36 55.44 1b9r s GLN 18 Cb 0.00 -0.23 -0.16 0.00 1.00 0.00 0.00 33.01 33.63 1b9r s GLN 18 CO 0.07 -0.19 1.77 -0.25 -2.12 0.00 0.00 175.29 174.57 1b9r n ASP 19 N 4.36 0.62 0.00 5.90 8.00 -1.26 -0.55 116.55 133.62 1b9r n ASP 19 Ca -0.24 0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1b9r n ASP 19 Cb 0.51 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1b9r n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b9r n GLY 20 N 6.20 0.98 3.51 0.44 0.00 0.40 -4.84 105.19 111.88 1b9r n GLY 20 Ca 0.46 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 1b9r n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b9r s GLN 21 N 0.00 1.83 0.38 1.61 -0.21 0.29 -4.67 119.66 118.89 1b9r s GLN 21 Ca 0.00 -1.33 0.06 0.00 0.02 0.00 0.00 55.36 54.11 1b9r s GLN 21 Cb 0.00 -2.05 0.06 0.00 1.00 0.00 0.00 33.01 32.02 1b9r s GLN 21 CO 0.00 0.43 0.47 -1.13 -2.12 0.00 0.00 175.29 172.95 1b9r n SER 22 N 0.28 1.59 -0.45 5.90 3.41 -1.16 0.26 113.62 123.45 1b9r n SER 22 Ca -0.12 -2.08 0.05 0.00 -0.26 0.00 0.00 58.87 56.46 1b9r n SER 22 Cb 0.55 -0.22 0.17 0.00 -0.26 0.00 0.00 64.21 64.45 1b9r n SER 22 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b9r n LEU 23 N 0.00 1.32 -0.08 1.04 7.99 -1.23 -2.94 117.00 123.11 1b9r n LEU 23 Ca 0.08 -0.64 -0.11 0.00 -0.01 0.00 0.00 56.01 55.33 1b9r n LEU 23 Cb 0.40 -0.15 -0.15 0.00 -0.11 0.00 0.00 43.42 43.41 1b9r n LEU 23 CO 0.26 0.32 -0.99 0.80 -1.51 0.00 0.00 177.39 176.27 1b9r n MET 24 N 0.20 0.67 0.03 3.23 1.56 -0.94 -4.06 117.12 117.81 1b9r n MET 24 Ca 0.10 0.10 -0.22 0.00 -0.27 0.00 0.00 57.70 57.41 1b9r n MET 24 Cb 0.22 -1.60 -0.14 0.00 2.15 0.00 0.00 33.22 33.84 1b9r n MET 24 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1b9r h GLU 25 N 0.00 0.31 -0.09 2.12 5.08 -1.78 -3.36 114.58 116.85 1b9r h GLU 25 Ca -0.47 -0.53 0.03 0.00 -1.00 0.00 0.00 59.36 57.39 1b9r h GLU 25 Cb 2.14 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 31.52 1b9r h GLU 25 CO 0.03 1.25 -0.49 0.28 -1.00 0.00 0.00 179.01 179.09 1b9r h VAL 26 N 0.08 0.06 0.00 3.13 2.07 -1.75 -2.54 116.25 117.30 1b9r h VAL 26 Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1b9r h VAL 26 Cb 2.05 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1b9r h VAL 26 CO 0.12 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1b9r n ALA 27 N -2.96 0.00 -0.32 1.67 0.00 -1.26 0.35 120.51 117.99 1b9r n ALA 27 Ca -0.06 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.72 1b9r n ALA 27 Cb 0.38 0.15 0.73 0.00 0.00 0.00 0.00 19.45 20.71 1b9r n ALA 27 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1b9r h THR 28 N 0.00 0.42 0.02 0.00 1.35 -1.66 1.56 112.91 114.60 1b9r h THR 28 Ca 0.00 -0.01 -0.20 0.00 -0.55 0.00 0.00 66.41 65.64 1b9r h THR 28 Cb 0.00 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 1b9r h THR 28 CO 0.00 0.01 -0.94 1.56 -0.25 0.00 0.00 175.52 175.90 1b9r h GLN 29 N 0.04 0.12 -0.21 4.72 1.08 0.63 -3.10 115.11 118.39 1b9r h GLN 29 Ca 0.56 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1b9r h GLN 29 Cb 2.17 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.65 1b9r h GLN 29 CO -0.04 0.97 0.00 0.09 -0.95 0.00 0.00 178.83 178.90 1b9r n ASN 30 N -3.56 1.61 0.00 1.46 3.02 0.50 -4.87 115.26 113.42 1b9r n ASN 30 Ca -0.03 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 1b9r n ASN 30 Cb 0.86 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 1b9r n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b9r n GLY 31 N 1.08 0.74 3.73 7.41 0.00 0.45 -4.96 105.19 113.64 1b9r n GLY 31 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1b9r n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b9r n VAL 32 N -2.34 3.16 -0.20 1.61 0.31 0.39 -4.53 118.33 116.73 1b9r n VAL 32 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1b9r n VAL 32 Cb 0.02 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 1b9r n VAL 32 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1b9r n PRO 33 N -0.47 0.00 -2.03 5.55 -0.01 -1.26 -3.82 135.00 132.95 1b9r n PRO 33 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.57 1b9r n PRO 33 Cb 0.42 -0.35 0.00 0.00 -0.01 0.00 0.00 33.50 33.56 1b9r n PRO 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1b9r n GLY 34 N 0.93 0.00 1.10 -1.23 0.00 -1.26 -4.27 105.19 100.46 1b9r n GLY 34 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1b9r n GLY 34 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1b9r n ILE 35 N -0.78 -0.24 -0.02 -0.61 5.41 -1.25 -4.84 119.36 117.04 1b9r n ILE 35 Ca 0.00 0.42 0.00 0.00 1.00 0.00 0.00 62.75 64.18 1b9r n ILE 35 Cb 0.00 -0.73 -0.05 0.00 -0.71 0.00 0.00 39.64 38.15 1b9r n ILE 35 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1b9r n VAL 36 N -3.60 0.21 -2.90 1.39 0.31 -1.26 -5.01 118.33 107.47 1b9r n VAL 36 Ca -0.04 -0.21 -0.40 0.00 -0.01 0.00 0.00 64.34 63.69 1b9r n VAL 36 Cb 0.54 -0.25 -0.05 0.00 -0.91 0.00 0.00 33.84 33.17 1b9r n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b9r s ALA 37 N -2.30 3.36 -1.43 3.52 0.00 -1.26 -4.80 121.76 118.84 1b9r s ALA 37 Ca -0.03 0.40 0.24 0.00 0.00 0.00 0.00 51.96 52.57 1b9r s ALA 37 Cb 0.03 -3.07 0.22 0.00 0.00 0.00 0.00 23.12 20.29 1b9r s ALA 37 CO 0.26 0.12 1.22 -0.85 0.00 0.00 0.00 175.76 176.51 1b9r n GLU 38 N 2.35 0.50 -0.16 0.00 -0.00 -1.26 -4.07 120.64 117.99 1b9r n GLU 38 Ca -0.02 -0.37 0.03 0.00 -0.00 0.00 0.00 57.16 56.80 1b9r n GLU 38 Cb 0.49 -1.49 0.09 0.00 -0.00 0.00 0.00 31.44 30.53 1b9r n GLU 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1b9r n GLY 40 N 0.54 -0.49 2.26 0.00 0.00 -1.26 0.25 105.19 106.49 1b9r n GLY 40 Ca 0.07 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 1b9r n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b9r n GLY 41 N -0.62 0.88 0.00 -0.02 0.00 -1.26 -4.87 105.19 99.29 1b9r n GLY 41 Ca -0.00 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.57 1b9r n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1b9r n SER 42 N 0.51 0.00 -2.37 1.61 2.88 0.70 -4.88 113.62 112.07 1b9r n SER 42 Ca -0.07 -0.79 -0.08 0.00 -1.33 0.00 0.00 58.87 56.61 1b9r n SER 42 Cb 0.25 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.75 1b9r n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b9r n VAL 44 N -2.37 0.00 -4.12 0.00 0.31 -1.26 -5.13 118.33 105.75 1b9r n VAL 44 Ca -0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.13 1b9r n VAL 44 Cb 0.56 0.30 -0.04 0.00 -0.91 0.00 0.00 33.84 33.75 1b9r n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b9r n ALA 46 N -0.68 1.56 0.73 0.00 0.00 -1.26 -4.80 120.51 116.06 1b9r n ALA 46 Ca -0.13 -0.78 0.13 0.00 0.00 0.00 0.00 53.44 52.66 1b9r n ALA 46 Cb 0.60 -0.28 0.43 0.00 0.00 0.00 0.00 19.45 20.20 1b9r n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1b9r n THR 47 N -0.00 0.39 -1.05 0.00 -2.24 -1.26 -4.13 114.28 106.00 1b9r n THR 47 Ca 0.00 -0.20 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 1b9r n THR 47 Cb 0.61 -0.48 -0.15 0.00 -2.10 0.00 0.00 70.33 68.21 1b9r n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b9r n ARG 49 N 2.67 3.86 -2.63 0.00 3.00 -1.26 -3.37 116.66 118.93 1b9r n ARG 49 Ca 0.49 -2.53 -0.33 0.00 -0.00 0.00 0.00 57.85 55.47 1b9r n ARG 49 Cb 0.81 -2.69 -0.05 0.00 0.00 0.00 0.00 32.46 30.54 1b9r n ARG 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1b9r s ILE 50 N 0.96 4.16 -0.11 5.15 1.01 -1.25 -4.44 121.20 126.67 1b9r s ILE 50 Ca 0.65 1.29 0.00 0.00 0.00 0.00 0.00 60.65 62.59 1b9r s ILE 50 Cb 0.19 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 39.14 1b9r s ILE 50 CO -0.07 -0.34 -0.10 -1.61 0.00 0.00 0.00 174.94 172.81 1b9r s GLU 51 N -3.34 1.77 0.50 2.79 2.02 -0.11 -1.74 118.70 120.58 1b9r s GLU 51 Ca 0.64 -0.37 -0.21 0.00 0.02 0.00 0.00 54.97 55.04 1b9r s GLU 51 Cb -0.12 -1.68 -0.07 0.00 0.10 0.00 0.00 34.13 32.37 1b9r s GLU 51 CO 0.19 -0.19 1.16 0.42 0.02 0.00 0.00 175.26 176.87 1b9r s ILE 52 N 1.40 3.05 1.08 -1.63 -1.09 -0.42 0.17 121.20 123.77 1b9r s ILE 52 Ca 0.00 0.73 -0.16 0.00 -2.23 0.00 0.00 60.65 59.00 1b9r s ILE 52 Cb -0.13 -3.34 0.24 0.00 -1.58 0.00 0.00 42.46 37.65 1b9r s ILE 52 CO -0.06 -0.06 0.55 -1.84 -1.23 0.00 0.00 174.94 172.30 1b9r n GLU 53 N -0.85 -2.59 -0.67 2.79 0.00 -0.25 -4.70 120.64 114.36 1b9r n GLU 53 Ca 0.09 -0.93 -0.01 0.00 0.00 0.00 0.00 57.16 56.32 1b9r n GLU 53 Cb 0.49 -1.50 0.23 0.00 0.00 0.00 0.00 31.44 30.66 1b9r n GLU 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1b9r n ASP 54 N -2.98 4.03 -0.03 -1.84 8.00 -1.26 -3.61 116.55 118.87 1b9r n ASP 54 Ca 0.09 -2.76 -0.02 0.00 0.71 0.00 0.00 54.79 52.80 1b9r n ASP 54 Cb 0.38 -0.66 -0.04 0.00 -0.02 0.00 0.00 41.12 40.78 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b9r n ALA 55 N 0.13 1.88 0.59 2.24 0.00 -1.26 -4.72 120.51 119.37 1b9r n ALA 55 Ca 0.25 -0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.40 1b9r n ALA 55 Cb 1.01 0.12 0.03 0.00 0.00 0.00 0.00 19.45 20.60 1b9r n ALA 55 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1b9r n TRP 56 N -2.18 0.00 -0.37 0.00 7.02 -1.25 -4.49 117.44 116.18 1b9r n TRP 56 Ca -0.09 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.41 1b9r n TRP 56 Cb 0.66 0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.71 1b9r n TRP 56 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1b9r h VAL 57 N 2.08 1.15 0.00 -0.99 2.07 -1.85 3.76 116.25 122.47 1b9r h VAL 57 Ca 0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1b9r h VAL 57 Cb 0.52 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1b9r h VAL 57 CO 0.00 0.22 0.00 -0.62 0.02 0.00 0.00 177.57 177.19 1b9r n GLU 58 N -4.46 0.51 -0.12 1.57 -0.58 -1.26 -1.25 120.64 115.05 1b9r n GLU 58 Ca 0.14 0.02 -0.16 0.00 -0.42 0.00 0.00 57.16 56.74 1b9r n GLU 58 Cb 0.12 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.39 1b9r n GLU 58 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1b9r n ILE 59 N -1.22 1.33 0.00 -3.67 5.41 0.38 -4.86 119.36 116.74 1b9r n ILE 59 Ca 0.15 -0.52 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1b9r n ILE 59 Cb 0.19 -1.29 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 1b9r n ILE 59 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1b9r n VAL 60 N -3.16 0.00 -2.79 1.39 0.31 1.15 -4.55 118.33 110.68 1b9r n VAL 60 Ca -0.41 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1b9r n VAL 60 Cb 0.94 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1b9r n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b9r n GLY 61 N 2.41 0.00 0.22 2.92 0.00 -0.38 -4.69 105.19 105.67 1b9r n GLY 61 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1b9r n GLY 61 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1b9r h GLU 62 N 1.61 0.00 -6.83 1.61 4.39 -1.90 -3.46 114.58 109.99 1b9r h GLU 62 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1b9r h GLU 62 Cb 0.00 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 28.80 1b9r h GLU 62 CO 0.00 0.09 0.23 0.00 -1.16 0.00 0.00 179.01 178.17 1b9r n ALA 63 N -2.13 0.47 -2.51 3.43 0.00 -1.26 -5.01 120.51 113.50 1b9r n ALA 63 Ca 0.02 0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 1b9r n ALA 63 Cb 0.49 -2.15 0.12 0.00 0.00 0.00 0.00 19.45 17.91 1b9r n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1b9r n ASN 64 N -0.53 1.15 0.00 0.00 0.23 -1.26 -4.93 115.26 109.92 1b9r n ASN 64 Ca 0.12 -2.02 0.03 0.00 -0.53 0.00 0.00 54.58 52.18 1b9r n ASN 64 Cb 0.45 -0.66 0.17 0.00 -2.08 0.00 0.00 39.78 37.65 1b9r n ASN 64 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1b9r n PRO 65 N -2.88 0.43 -0.11 -0.53 -0.02 -1.26 -2.84 135.00 127.79 1b9r n PRO 65 Ca 0.16 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.42 1b9r n PRO 65 Cb 0.56 -1.20 -0.10 0.00 -0.02 0.00 0.00 33.50 32.74 1b9r n PRO 65 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b9r n ASP 66 N -0.70 1.87 -0.26 2.55 9.92 -1.26 -2.73 116.55 125.95 1b9r n ASP 66 Ca 0.04 0.42 0.20 0.00 -0.53 0.00 0.00 54.79 54.92 1b9r n ASP 66 Cb 0.02 -0.93 0.51 0.00 -0.64 0.00 0.00 41.12 40.07 1b9r n ASP 66 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1b9r h GLU 67 N -1.00 0.40 0.00 -1.24 4.57 -1.90 1.81 114.58 117.22 1b9r h GLU 67 Ca -0.38 -0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 57.60 1b9r h GLU 67 Cb 1.29 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 1b9r h GLU 67 CO -0.23 0.26 -1.02 -0.97 -1.18 0.00 0.00 179.01 175.87 1b9r h ASN 68 N 0.41 0.00 0.03 1.04 -0.00 -1.73 -3.27 115.58 112.05 1b9r h ASN 68 Ca 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.74 1b9r h ASN 68 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 1b9r h ASN 68 CO -0.19 0.77 -0.25 -0.78 -0.00 0.00 0.00 177.43 176.97 1b9r h ASP 69 N 0.00 0.08 -0.98 1.15 3.58 -0.03 -2.21 116.42 118.01 1b9r h ASP 69 Ca -0.08 -0.96 0.22 0.00 0.42 0.00 0.00 57.03 56.63 1b9r h ASP 69 Cb 1.65 -0.03 -0.09 0.00 1.72 0.00 0.00 39.33 42.58 1b9r h ASP 69 CO 0.09 1.11 0.62 0.25 -2.88 0.00 0.00 179.24 178.43 1b9r h LEU 70 N -0.88 0.58 0.20 2.28 6.46 0.24 1.04 115.31 125.22 1b9r h LEU 70 Ca -0.05 0.08 -0.27 0.00 -0.12 0.00 0.00 57.88 57.51 1b9r h LEU 70 Cb 1.14 -0.02 0.03 0.00 -0.73 0.00 0.00 40.66 41.08 1b9r h LEU 70 CO 0.01 0.19 -1.19 -0.07 -0.62 0.00 0.00 178.44 176.76 1b9r h LEU 71 N 0.55 0.67 -1.48 2.25 -0.00 -1.66 -3.18 115.31 112.46 1b9r h LEU 71 Ca 0.55 -0.94 -0.04 0.00 -0.00 0.00 0.00 57.88 57.46 1b9r h LEU 71 Cb 1.15 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 1b9r h LEU 71 CO -0.30 1.57 -0.18 1.56 -0.00 0.00 0.00 178.44 181.09 1b9r h GLN 72 N -0.10 0.00 0.00 1.13 1.08 -0.51 -2.14 115.11 114.57 1b9r h GLN 72 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1b9r h GLN 72 Cb 1.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1b9r h GLN 72 CO 0.22 0.18 0.00 0.66 -0.95 0.00 0.00 178.83 178.94 1b9r h SER 73 N 0.00 0.00 0.34 1.46 4.64 0.10 -3.25 113.55 116.84 1b9r h SER 73 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.99 1b9r h SER 73 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1b9r h SER 73 CO 0.02 0.00 -1.73 0.71 -0.87 0.00 0.00 176.83 174.96 1b9r h THR 74 N 0.00 0.90 0.00 2.95 1.35 -1.38 -3.49 112.91 113.24 1b9r h THR 74 Ca 0.00 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 1b9r h THR 74 Cb 0.91 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1b9r h THR 74 CO 0.00 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 1b9r n GLY 75 N 1.76 1.18 3.61 5.82 0.00 -0.97 -5.10 105.19 111.48 1b9r n GLY 75 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1b9r n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b9r s GLU 76 N -0.22 3.98 1.14 1.61 2.02 -1.13 -5.04 118.70 121.06 1b9r s GLU 76 Ca 0.00 -0.31 -0.19 0.00 0.02 0.00 0.00 54.97 54.49 1b9r s GLU 76 Cb 0.00 -3.58 0.27 0.00 0.10 0.00 0.00 34.13 30.91 1b9r s GLU 76 CO 0.00 -0.08 1.18 -1.25 0.02 0.00 0.00 175.26 175.13 1b9r s PRO 77 N 1.44 -0.74 0.00 0.39 0.04 -1.26 -4.30 135.00 130.57 1b9r s PRO 77 Ca 0.07 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1b9r s PRO 77 Cb -0.15 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1b9r s PRO 77 CO 0.08 -3.37 0.00 -1.33 0.04 0.00 0.00 177.00 172.42 1b9r n MET 78 N -4.48 0.52 -3.13 4.56 0.00 -1.26 -5.05 117.12 108.27 1b9r n MET 78 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.73 1b9r n MET 78 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.78 1b9r n MET 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1b9r n THR 79 N 0.00 0.00 -2.86 2.03 -2.24 -1.26 -5.09 114.28 104.86 1b9r n THR 79 Ca 0.00 -1.17 -0.42 0.00 -2.27 0.00 0.00 64.05 60.18 1b9r n THR 79 Cb 0.00 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 1b9r n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b9r s ALA 80 N -2.60 3.42 0.00 6.98 0.00 -1.26 -3.47 121.76 124.84 1b9r s ALA 80 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1b9r s ALA 80 Cb 0.01 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1b9r s ALA 80 CO 0.10 -1.55 0.00 0.41 0.00 0.00 0.00 175.76 174.73 1b9r n GLY 81 N 4.42 0.91 3.77 0.00 0.00 -1.26 -4.87 105.19 108.16 1b9r n GLY 81 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1b9r n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b9r s THR 82 N -2.01 3.16 -0.29 2.61 2.01 -1.23 -1.30 115.64 118.60 1b9r s THR 82 Ca 0.00 1.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.89 1b9r s THR 82 Cb 0.00 -3.68 0.14 0.00 0.01 0.00 0.00 72.50 68.98 1b9r s THR 82 CO 0.00 0.22 1.08 -0.60 -0.69 0.00 0.00 174.62 174.63 1b9r s ARG 83 N -1.82 0.38 -0.06 4.92 3.00 -0.71 -4.92 118.95 119.73 1b9r s ARG 83 Ca 0.50 0.52 -0.36 0.00 -1.00 0.00 0.00 55.73 55.39 1b9r s ARG 83 Cb -0.34 0.14 -0.14 0.00 0.00 0.00 0.00 34.95 34.62 1b9r s ARG 83 CO 0.44 -0.06 1.72 1.28 0.00 0.00 0.00 175.30 178.68 1b9r n LEU 84 N 2.70 2.89 0.00 -0.88 4.77 -1.26 -3.89 117.00 121.33 1b9r n LEU 84 Ca -0.15 1.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.99 1b9r n LEU 84 Cb 0.57 -1.30 0.61 0.00 -2.33 0.00 0.00 43.42 40.97 1b9r n LEU 84 CO 0.02 -0.32 0.89 -1.54 -1.33 0.00 0.00 177.39 175.11 1b9r n SER 85 N 5.16 0.00 -0.85 -1.43 3.41 -1.22 -2.49 113.62 116.20 1b9r n SER 85 Ca 0.22 -0.17 0.07 0.00 -0.26 0.00 0.00 58.87 58.73 1b9r n SER 85 Cb 0.24 -0.24 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 1b9r n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b9r n GLN 87 N 0.69 2.80 -3.43 0.00 1.13 -1.04 -4.95 117.38 112.59 1b9r n GLN 87 Ca 0.16 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.79 1b9r n GLN 87 Cb 0.53 -0.25 -0.10 0.00 0.11 0.00 0.00 30.24 30.53 1b9r n GLN 87 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1b9r s VAL 88 N -0.43 5.22 -0.11 5.09 1.01 -1.08 -4.84 120.40 125.25 1b9r s VAL 88 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1b9r s VAL 88 Cb 0.00 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1b9r s VAL 88 CO 0.00 -0.33 -0.07 -0.36 0.00 0.00 0.00 175.10 174.34 1b9r s PHE 89 N 1.79 2.95 1.00 5.22 0.08 -1.26 -2.96 117.98 124.81 1b9r s PHE 89 Ca 0.07 -0.21 -0.17 0.00 0.12 0.00 0.00 56.93 56.74 1b9r s PHE 89 Cb -0.18 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1b9r s PHE 89 CO 0.11 0.10 -0.29 -0.89 -0.10 0.00 0.00 175.22 174.15 1b9r n ILE 90 N 2.96 0.00 -3.59 0.64 2.08 0.73 -4.47 119.36 117.71 1b9r n ILE 90 Ca -0.18 -0.29 0.02 0.00 0.56 0.00 0.00 62.75 62.86 1b9r n ILE 90 Cb 0.53 -0.34 -0.01 0.00 -0.75 0.00 0.00 39.64 39.07 1b9r n ILE 90 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1b9r s ASP 91 N -1.54 -0.04 0.00 4.38 1.47 -1.26 -0.45 116.67 119.23 1b9r s ASP 91 Ca 0.49 -0.06 -0.01 0.00 1.18 0.00 0.00 52.55 54.14 1b9r s ASP 91 Cb -0.15 0.09 -0.04 0.00 -0.34 0.00 0.00 42.92 42.48 1b9r s ASP 91 CO 0.72 -0.16 1.02 -2.65 0.68 0.00 0.00 175.17 174.78 1b9r n PRO 92 N -0.42 0.44 0.00 2.11 -0.02 -1.26 -1.09 135.00 134.76 1b9r n PRO 92 Ca -0.07 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1b9r n PRO 92 Cb 0.62 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1b9r n PRO 92 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1b9r n SER 93 N 2.40 0.00 -2.31 2.55 3.41 -1.26 -4.87 113.62 113.54 1b9r n SER 93 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.38 1b9r n SER 93 Cb 0.21 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1b9r n SER 93 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1b9r n MET 94 N -1.11 3.22 -3.19 4.33 2.81 -0.25 -4.80 117.12 118.13 1b9r n MET 94 Ca 0.00 -3.92 -0.39 0.00 -1.81 0.00 0.00 57.70 51.58 1b9r n MET 94 Cb 0.00 -2.28 -0.06 0.00 -0.71 0.00 0.00 33.22 30.17 1b9r n MET 94 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1b9r s ASP 95 N -2.78 6.68 -0.27 7.83 1.01 -1.24 -3.25 116.67 124.63 1b9r s ASP 95 Ca 0.54 0.81 0.00 0.00 0.71 0.00 0.00 52.55 54.62 1b9r s ASP 95 Cb 0.44 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 42.04 1b9r s ASP 95 CO -0.08 -0.18 0.00 0.61 0.21 0.00 0.00 175.17 175.73 1b9r n GLY 96 N 3.66 0.36 3.78 0.21 0.00 0.73 -4.72 105.19 109.21 1b9r n GLY 96 Ca -0.03 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 1b9r n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1b9r s LEU 97 N -0.80 3.62 -0.08 0.99 0.05 -0.26 -4.63 118.68 117.58 1b9r s LEU 97 Ca 0.00 2.00 0.02 0.00 0.05 0.00 0.00 54.13 56.20 1b9r s LEU 97 Cb 0.00 -4.56 -0.02 0.00 -2.05 0.00 0.00 46.19 39.56 1b9r s LEU 97 CO 0.00 -1.22 -0.12 -0.63 -0.55 0.00 0.00 176.35 173.83 1b9r s ILE 98 N -2.11 3.26 0.16 1.48 1.09 -1.26 0.97 121.20 124.79 1b9r s ILE 98 Ca 0.68 -0.63 0.08 0.00 -1.10 0.00 0.00 60.65 59.69 1b9r s ILE 98 Cb -0.20 -2.32 -0.04 0.00 -1.06 0.00 0.00 42.46 38.84 1b9r s ILE 98 CO 0.32 0.57 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.85 1b9r s VAL 99 N -0.43 1.81 0.10 2.92 1.01 1.33 -1.09 120.40 126.04 1b9r s VAL 99 Ca 0.06 -1.88 -0.01 0.00 0.00 0.00 0.00 61.98 60.14 1b9r s VAL 99 Cb -0.12 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1b9r s VAL 99 CO 0.02 -0.29 0.02 -0.13 0.00 0.00 0.00 175.10 174.72 1b9r s ARG 100 N -2.72 0.79 -0.01 2.72 0.52 0.45 0.23 118.95 120.94 1b9r s ARG 100 Ca 0.15 -1.34 0.08 0.00 -0.52 0.00 0.00 55.73 54.10 1b9r s ARG 100 Cb -0.06 0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 1b9r s ARG 100 CO 0.06 -0.20 -0.26 0.08 0.02 0.00 0.00 175.30 175.01 1b9r s VAL 101 N -3.99 2.03 0.08 3.52 1.01 -0.44 -0.94 120.40 121.67 1b9r s VAL 101 Ca 0.17 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1b9r s VAL 101 Cb 0.08 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1b9r s VAL 101 CO -0.03 0.53 0.04 -0.81 0.00 0.00 0.00 175.10 174.82 1b9r n PRO 102 N 2.32 -1.09 -4.18 2.72 -0.04 -1.26 -4.67 135.00 128.80 1b9r n PRO 102 Ca -0.16 -0.07 -0.23 0.00 -0.04 0.00 0.00 63.50 63.00 1b9r n PRO 102 Cb 0.51 -0.11 -0.06 0.00 -0.04 0.00 0.00 33.50 33.80 1b9r n PRO 102 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b9r s LEU 103 N 0.00 3.29 0.83 1.53 1.02 -1.26 -4.64 118.68 119.45 1b9r s LEU 103 Ca 0.03 -0.67 -0.12 0.00 0.02 0.00 0.00 54.13 53.39 1b9r s LEU 103 Cb -0.01 -1.79 0.09 0.00 0.02 0.00 0.00 46.19 44.51 1b9r s LEU 103 CO 0.03 -0.15 1.14 -2.84 0.02 0.00 0.00 176.35 174.55 1b9r s PRO 104 N -3.77 1.83 0.00 1.29 0.02 -1.26 -5.17 135.00 127.93 1b9r s PRO 104 Ca 0.35 0.31 0.31 0.00 0.02 0.00 0.00 61.00 61.98 1b9r s PRO 104 Cb -0.05 -1.92 1.65 0.00 0.02 0.00 0.00 34.50 34.21 1b9r s PRO 104 CO 0.22 -1.73 2.08 0.00 -0.33 0.00 0.00 177.00 177.24