#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 1.99 0.26 -0.52 6.06 -1.26 -2.26 118.95 123.22 1b9r s ARG 2 Ca 0.00 -1.52 -0.16 0.00 -2.50 0.00 0.00 55.73 51.54 1b9r s ARG 2 Cb 0.00 -2.00 0.01 0.00 0.06 0.00 0.00 34.95 33.01 1b9r s ARG 2 CO 0.00 0.37 0.58 0.08 -2.50 0.00 0.00 175.30 173.82 1b9r s VAL 3 N -2.25 0.00 -0.26 7.11 1.01 0.86 0.16 120.40 127.04 1b9r s VAL 3 Ca 0.29 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 1b9r s VAL 3 Cb -0.06 -2.13 0.15 0.00 0.00 0.00 0.00 36.38 34.34 1b9r s VAL 3 CO 0.17 0.00 0.43 -0.69 0.00 0.00 0.00 175.10 175.01 1b9r s VAL 4 N -3.97 -0.70 0.61 2.92 1.01 0.69 0.10 120.40 121.07 1b9r s VAL 4 Ca 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1b9r s VAL 4 Cb -0.03 -0.87 0.08 0.00 0.00 0.00 0.00 36.38 35.56 1b9r s VAL 4 CO 0.08 -0.11 0.85 -0.36 0.00 0.00 0.00 175.10 175.56 1b9r s PHE 5 N 2.62 2.08 0.15 5.22 0.40 0.14 0.47 117.98 129.06 1b9r s PHE 5 Ca 0.14 -0.28 -0.14 0.00 -0.60 0.00 0.00 56.93 56.05 1b9r s PHE 5 Cb -0.15 -2.72 0.02 0.00 0.51 0.00 0.00 43.02 40.68 1b9r s PHE 5 CO -0.19 -1.23 0.39 0.42 0.70 0.00 0.00 175.22 175.32 1b9r s ILE 6 N -2.87 0.06 0.03 0.64 -1.09 -1.23 0.22 121.20 116.97 1b9r s ILE 6 Ca 0.62 -0.87 -0.29 0.00 -2.23 0.00 0.00 60.65 57.88 1b9r s ILE 6 Cb -0.07 -1.45 0.10 0.00 -1.58 0.00 0.00 42.46 39.45 1b9r s ILE 6 CO 0.40 -0.29 1.11 -0.62 -1.23 0.00 0.00 174.94 174.31 1b9r s ASP 7 N -2.87 -0.15 0.00 3.58 2.15 -1.26 -2.13 116.67 115.99 1b9r s ASP 7 Ca 0.08 -0.21 0.30 0.00 0.43 0.00 0.00 52.55 53.15 1b9r s ASP 7 Cb 0.02 0.31 1.39 0.00 -0.30 0.00 0.00 42.92 44.34 1b9r s ASP 7 CO -0.07 -0.56 1.97 1.21 -0.17 0.00 0.00 175.17 177.55 1b9r n GLU 8 N -0.41 0.52 0.01 4.34 4.07 -1.26 0.22 120.64 128.13 1b9r n GLU 8 Ca -0.07 -0.09 -0.17 0.00 -0.06 0.00 0.00 57.16 56.77 1b9r n GLU 8 Cb 0.61 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 30.36 1b9r n GLU 8 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1b9r h GLN 9 N 0.22 0.20 0.00 5.31 1.08 -1.97 -3.41 115.11 116.53 1b9r h GLN 9 Ca 0.00 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 1b9r h GLN 9 Cb 0.32 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1b9r h GLN 9 CO 0.00 1.01 0.00 0.45 -0.95 0.00 0.00 178.83 179.34 1b9r n SER 10 N -3.36 0.13 -1.10 1.46 2.88 -1.23 -5.01 113.62 107.39 1b9r n SER 10 Ca -0.26 -0.44 -0.14 0.00 -1.33 0.00 0.00 58.87 56.69 1b9r n SER 10 Cb 1.05 0.46 -0.06 0.00 -0.75 0.00 0.00 64.21 64.91 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 0.46 1.43 0.00 0.46 0.00 0.59 -4.86 105.19 103.27 1b9r n GLY 11 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.88 0.00 -2.99 1.61 2.13 -1.24 -4.58 120.64 113.69 1b9r n GLU 12 Ca -0.14 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.54 1b9r n GLU 12 Cb 0.56 0.00 0.02 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 -0.59 -1.16 -1.62 4.31 4.02 0.59 -4.68 117.16 118.04 1b9r n TYR 13 Ca 0.00 -3.08 -0.47 0.00 -0.01 0.00 0.00 57.90 54.34 1b9r n TYR 13 Cb 0.00 0.48 -0.04 0.00 -0.02 0.00 0.00 39.34 39.77 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 0.31 0.02 -3.00 -0.72 0.00 -1.24 -0.68 120.51 115.19 1b9r n ALA 14 Ca 0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1b9r n ALA 14 Cb 0.68 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.76 0.00 -3.65 0.00 3.14 0.29 -4.78 118.33 115.09 1b9r n VAL 15 Ca 0.14 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.41 1b9r n VAL 15 Cb 0.27 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.00 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 1.87 -0.22 0.11 6.55 1.01 -1.26 0.30 116.67 125.04 1b9r s ASP 16 Ca 0.00 -0.29 0.02 0.00 0.71 0.00 0.00 52.55 52.99 1b9r s ASP 16 Cb 0.00 0.46 -0.01 0.00 1.01 0.00 0.00 42.92 44.38 1b9r s ASP 16 CO 0.00 -0.81 0.08 0.00 0.21 0.00 0.00 175.17 174.65 1b9r n ALA 17 N -0.10 0.22 -3.37 5.23 0.00 -0.96 -4.71 120.51 116.83 1b9r n ALA 17 Ca -0.16 -0.62 -0.15 0.00 0.00 0.00 0.00 53.44 52.51 1b9r n ALA 17 Cb 0.63 0.49 -0.15 0.00 0.00 0.00 0.00 19.45 20.42 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 -2.44 0.15 -0.81 0.00 -0.21 -1.26 0.25 119.66 115.34 1b9r s GLN 18 Ca 0.12 0.05 -0.29 0.00 0.02 0.00 0.00 55.36 55.25 1b9r s GLN 18 Cb 0.01 -0.28 -0.19 0.00 1.00 0.00 0.00 33.01 33.55 1b9r s GLN 18 CO 0.08 -0.07 2.29 -0.25 -2.12 0.00 0.00 175.29 175.22 1b9r n ASP 19 N 3.70 0.32 0.00 5.90 9.92 -1.26 0.11 116.55 135.24 1b9r n ASP 19 Ca -0.21 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1b9r n ASP 19 Cb 0.54 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 1b9r n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b9r n GLY 20 N 5.86 1.04 3.80 0.44 0.00 0.53 -4.78 105.19 112.08 1b9r n GLY 20 Ca 0.56 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 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 3.23 0.59 1.61 -0.21 0.31 -4.59 119.66 120.60 1b9r s GLN 21 Ca 0.00 -0.27 0.01 0.00 0.02 0.00 0.00 55.36 55.12 1b9r s GLN 21 Cb 0.00 -3.01 0.05 0.00 1.00 0.00 0.00 33.01 31.06 1b9r s GLN 21 CO 0.00 0.74 0.83 -1.54 -2.12 0.00 0.00 175.29 173.19 1b9r s SER 22 N -1.03 5.07 0.00 5.90 1.04 -1.23 0.90 113.70 124.35 1b9r s SER 22 Ca 0.15 -0.09 0.24 0.00 0.48 0.00 0.00 55.95 56.73 1b9r s SER 22 Cb -0.12 -0.68 1.43 0.00 0.10 0.00 0.00 66.02 66.76 1b9r s SER 22 CO 0.04 -1.30 1.82 -0.11 0.98 0.00 0.00 173.24 174.67 1b9r n LEU 23 N -2.45 0.00 -0.02 2.42 7.94 -1.25 -2.36 117.00 121.27 1b9r n LEU 23 Ca 0.10 0.03 -0.06 0.00 -1.11 0.00 0.00 56.01 54.97 1b9r n LEU 23 Cb 0.60 -0.03 -0.13 0.00 0.53 0.00 0.00 43.42 44.39 1b9r n LEU 23 CO 0.45 -0.01 -0.55 0.80 -1.11 0.00 0.00 177.39 176.97 1b9r n MET 24 N -1.03 0.64 0.01 1.96 1.56 -1.26 -3.57 117.12 115.43 1b9r n MET 24 Ca 0.18 0.23 -0.22 0.00 -0.27 0.00 0.00 57.70 57.61 1b9r n MET 24 Cb 0.10 -1.76 -0.14 0.00 2.15 0.00 0.00 33.22 33.57 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 0.27 0.27 2.12 5.08 -1.87 -3.33 114.58 117.13 1b9r h GLU 25 Ca -0.28 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 1b9r h GLU 25 Cb 1.91 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 31.30 1b9r h GLU 25 CO 0.06 1.22 -0.47 0.28 -1.00 0.00 0.00 179.01 179.10 1b9r h VAL 26 N -0.05 0.08 0.00 3.13 2.07 -1.65 -2.62 116.25 117.20 1b9r h VAL 26 Ca -0.38 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1b9r h VAL 26 Cb 1.96 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1b9r h VAL 26 CO 0.08 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1b9r n ALA 27 N -2.84 0.00 -0.30 1.67 0.00 -1.23 0.32 120.51 118.12 1b9r n ALA 27 Ca -0.09 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.62 1b9r n ALA 27 Cb 0.42 0.21 0.60 0.00 0.00 0.00 0.00 19.45 20.68 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 0.50 -0.03 0.00 1.35 -1.63 1.34 112.91 114.44 1b9r h THR 28 Ca 0.00 -0.08 -0.18 0.00 -0.55 0.00 0.00 66.41 65.60 1b9r h THR 28 Cb 0.00 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 66.65 1b9r h THR 28 CO 0.00 0.04 -0.78 1.56 -0.25 0.00 0.00 175.52 176.09 1b9r h GLN 29 N 0.23 0.25 -0.24 4.72 4.20 0.55 -2.89 115.11 121.93 1b9r h GLN 29 Ca 0.56 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1b9r h GLN 29 Cb 1.74 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.58 1b9r h GLN 29 CO -0.18 0.91 0.00 0.09 -0.67 0.00 0.00 178.83 178.98 1b9r n ASN 30 N -3.75 1.67 -1.09 1.46 3.02 0.41 -4.88 115.26 112.10 1b9r n ASN 30 Ca -0.03 -1.84 -0.14 0.00 -0.03 0.00 0.00 54.58 52.54 1b9r n ASN 30 Cb 0.74 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.70 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 1.07 1.28 3.75 7.41 0.00 0.14 -4.96 105.19 113.89 1b9r n GLY 31 Ca 0.14 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1b9r n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b9r s VAL 32 N -2.52 3.46 0.00 1.61 1.01 0.68 -4.96 120.40 119.68 1b9r s VAL 32 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1b9r s VAL 32 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1b9r s VAL 32 CO 0.00 0.31 0.00 -0.81 0.00 0.00 0.00 175.10 174.60 1b9r n PRO 33 N 1.48 1.74 -1.05 2.72 -0.04 -1.26 -4.09 135.00 134.50 1b9r n PRO 33 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.44 1b9r n PRO 33 Cb 0.45 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 1b9r n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b9r n GLY 34 N 1.60 0.25 0.35 0.55 0.00 -1.26 -4.76 105.19 101.92 1b9r n GLY 34 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1b9r n GLY 34 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1b9r h ILE 35 N 0.00 0.24 -3.65 -0.61 2.04 -1.93 -3.47 117.51 110.13 1b9r h ILE 35 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1b9r h ILE 35 Cb 0.18 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1b9r h ILE 35 CO 0.08 0.00 -0.49 0.52 0.00 0.00 0.00 178.15 178.26 1b9r n VAL 36 N -5.42 -1.03 -3.58 1.67 0.31 -1.26 -4.86 118.33 104.15 1b9r n VAL 36 Ca -0.04 0.23 -0.38 0.00 -0.01 0.00 0.00 64.34 64.14 1b9r n VAL 36 Cb 0.34 -1.47 -0.06 0.00 -0.91 0.00 0.00 33.84 31.74 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 -0.50 4.23 -0.09 3.52 0.00 -1.26 -4.70 121.76 122.97 1b9r s ALA 37 Ca 0.01 -3.74 -0.26 0.00 0.00 0.00 0.00 51.96 47.98 1b9r s ALA 37 Cb -0.00 -2.97 -0.26 0.00 0.00 0.00 0.00 23.12 19.89 1b9r s ALA 37 CO 0.03 -2.16 0.90 0.93 0.00 0.00 0.00 175.76 175.46 1b9r h GLU 38 N 6.35 0.12 0.00 0.00 4.39 -1.94 -3.38 114.58 120.13 1b9r h GLU 38 Ca 0.14 -0.17 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1b9r h GLU 38 Cb 0.85 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 1b9r h GLU 38 CO 0.86 1.00 -2.04 0.00 -1.16 0.00 0.00 179.01 177.67 1b9r n GLY 40 N 1.73 -0.16 0.99 0.00 0.00 -1.26 -1.68 105.19 104.81 1b9r n GLY 40 Ca -0.17 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.47 2.45 0.22 -0.02 0.00 -1.26 -4.87 105.19 101.25 1b9r n GLY 41 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1b9r n GLY 41 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1b9r h SER 42 N 0.00 0.00 -6.75 1.61 0.02 -1.73 -3.47 113.55 103.22 1b9r h SER 42 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1b9r h SER 42 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 1b9r h SER 42 CO 0.00 0.03 -0.94 0.00 -1.14 0.00 0.00 176.83 174.78 1b9r n VAL 44 N -4.53 1.35 -3.93 0.00 0.31 -1.26 -5.09 118.33 105.18 1b9r n VAL 44 Ca -0.29 -3.02 -0.10 0.00 -0.01 0.00 0.00 64.34 60.93 1b9r n VAL 44 Cb 0.67 1.12 -0.02 0.00 -0.91 0.00 0.00 33.84 34.70 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 -0.47 4.21 0.10 0.00 0.00 -1.26 -4.76 120.51 118.32 1b9r n ALA 46 Ca -0.03 -3.67 0.06 0.00 0.00 0.00 0.00 53.44 49.79 1b9r n ALA 46 Cb 0.61 -0.70 0.11 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.36 0.57 -2.33 0.00 -2.24 -1.26 -4.63 114.28 104.03 1b9r n THR 47 Ca 0.25 -0.79 -0.34 0.00 -2.27 0.00 0.00 64.05 60.91 1b9r n THR 47 Cb 0.77 0.81 0.01 0.00 -2.10 0.00 0.00 70.33 69.82 1b9r n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b9r s ARG 49 N -3.84 2.74 0.39 0.00 6.06 -1.26 -2.66 118.95 120.38 1b9r s ARG 49 Ca 0.49 0.02 0.04 0.00 -2.50 0.00 0.00 55.73 53.78 1b9r s ARG 49 Cb 0.38 -4.72 -0.05 0.00 0.06 0.00 0.00 34.95 30.61 1b9r s ARG 49 CO -0.27 -2.88 0.05 0.42 -2.50 0.00 0.00 175.30 170.12 1b9r s ILE 50 N 8.78 1.34 -0.04 4.11 -1.09 -1.26 -4.35 121.20 128.68 1b9r s ILE 50 Ca 0.63 -2.00 -0.02 0.00 -2.23 0.00 0.00 60.65 57.03 1b9r s ILE 50 Cb -0.09 -2.69 0.03 0.00 -1.58 0.00 0.00 42.46 38.13 1b9r s ILE 50 CO 0.09 0.00 0.05 -1.61 -1.23 0.00 0.00 174.94 172.24 1b9r s GLU 51 N -3.81 0.00 0.48 2.79 2.02 0.33 -3.11 118.70 117.41 1b9r s GLU 51 Ca 0.29 0.34 -0.22 0.00 0.02 0.00 0.00 54.97 55.40 1b9r s GLU 51 Cb 0.07 -0.54 -0.07 0.00 0.10 0.00 0.00 34.13 33.69 1b9r s GLU 51 CO 0.14 -0.32 1.18 0.42 0.02 0.00 0.00 175.26 176.70 1b9r s ILE 52 N 2.07 3.01 0.94 -1.63 -1.09 -1.13 -0.16 121.20 123.21 1b9r s ILE 52 Ca 0.04 0.74 -0.12 0.00 -2.23 0.00 0.00 60.65 59.08 1b9r s ILE 52 Cb -0.12 -3.36 0.08 0.00 -1.58 0.00 0.00 42.46 37.48 1b9r s ILE 52 CO -0.03 -0.03 0.72 -1.84 -1.23 0.00 0.00 174.94 172.52 1b9r n GLU 53 N -0.66 -0.36 0.00 2.79 -0.00 0.72 -4.71 120.64 118.42 1b9r n GLU 53 Ca 0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 57.16 57.19 1b9r n GLU 53 Cb 0.48 -2.07 0.00 0.00 -0.00 0.00 0.00 31.44 29.85 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 -2.53 0.94 -0.02 -1.84 8.00 -1.26 -2.67 116.55 117.18 1b9r n ASP 54 Ca 0.09 -1.60 -0.00 0.00 0.71 0.00 0.00 54.79 53.98 1b9r n ASP 54 Cb 0.53 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.14 2.02 0.63 2.24 0.00 -1.26 -4.69 120.51 119.58 1b9r n ALA 55 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.19 1b9r n ALA 55 Cb 0.22 -0.04 0.02 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.04 0.00 -0.34 0.00 7.02 -1.09 -4.38 117.44 116.61 1b9r n TRP 56 Ca -0.07 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.38 1b9r n TRP 56 Cb 0.49 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.47 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 2.01 1.25 0.00 -0.99 2.07 -1.83 3.29 116.25 122.06 1b9r h VAL 57 Ca 0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1b9r h VAL 57 Cb 0.53 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1b9r h VAL 57 CO 0.00 0.27 0.00 -0.62 0.02 0.00 0.00 177.57 177.24 1b9r n GLU 58 N -4.37 0.29 -0.09 1.57 1.02 -1.26 -0.77 120.64 117.03 1b9r n GLU 58 Ca 0.10 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.06 1b9r n GLU 58 Cb 0.07 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.86 1b9r n GLU 58 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1b9r n ILE 59 N -1.35 1.56 0.00 -3.67 5.41 0.14 -4.80 119.36 116.65 1b9r n ILE 59 Ca 0.12 -0.62 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1b9r n ILE 59 Cb 0.27 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 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 -3.27 0.00 -3.09 1.39 0.31 1.05 -4.64 118.33 110.08 1b9r n VAL 60 Ca -0.41 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1b9r n VAL 60 Cb 1.02 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 2.54 0.00 0.10 2.92 0.00 0.05 -4.70 105.19 106.09 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 2.44 0.00 -7.17 1.61 5.08 -1.90 -3.47 114.58 111.16 1b9r h GLU 62 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1b9r h GLU 62 Cb 0.00 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.43 1b9r h GLU 62 CO 0.00 0.00 0.33 0.00 -1.00 0.00 0.00 179.01 178.34 1b9r n ALA 63 N -1.92 0.05 -1.97 3.43 0.00 -1.26 -5.03 120.51 113.82 1b9r n ALA 63 Ca 0.03 -0.30 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 1b9r n ALA 63 Cb 0.47 -2.25 0.06 0.00 0.00 0.00 0.00 19.45 17.74 1b9r n ALA 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1b9r s ASN 64 N -2.02 4.91 0.00 0.00 4.22 -1.26 -4.93 114.94 115.85 1b9r s ASN 64 Ca 0.74 0.01 0.02 0.00 -2.14 0.00 0.00 52.86 51.49 1b9r s ASN 64 Cb -0.30 -0.71 0.11 0.00 1.28 0.00 0.00 41.25 41.63 1b9r s ASN 64 CO 0.50 -1.45 0.46 -0.81 -2.04 0.00 0.00 177.10 173.77 1b9r n PRO 65 N -2.61 0.08 -0.09 3.55 -0.04 -1.26 -2.66 135.00 131.97 1b9r n PRO 65 Ca 0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1b9r n PRO 65 Cb 0.60 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.67 1b9r n PRO 65 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1b9r n ASP 66 N -0.84 1.84 -0.31 3.54 9.92 -1.26 -3.01 116.55 126.42 1b9r n ASP 66 Ca 0.01 0.53 0.16 0.00 -0.53 0.00 0.00 54.79 54.96 1b9r n ASP 66 Cb 0.01 -0.89 0.34 0.00 -0.64 0.00 0.00 41.12 39.94 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 0.36 -0.12 -1.24 4.22 -1.89 2.21 114.58 117.12 1b9r h GLU 67 Ca -0.15 -0.02 -0.13 0.00 0.08 0.00 0.00 59.36 59.14 1b9r h GLU 67 Cb 0.85 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1b9r h GLU 67 CO -0.09 0.24 -0.51 -0.97 -2.18 0.00 0.00 179.01 175.50 1b9r h ASN 68 N 0.37 0.36 0.65 1.04 -0.00 -1.74 -2.94 115.58 113.31 1b9r h ASN 68 Ca 0.60 -0.18 -0.27 0.00 -0.00 0.00 0.00 56.30 56.45 1b9r h ASN 68 Cb 1.20 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 39.42 1b9r h ASN 68 CO -0.56 0.81 -1.24 -0.78 -0.00 0.00 0.00 177.43 175.66 1b9r h ASP 69 N 0.26 0.40 -0.84 1.15 3.58 0.82 -2.27 116.42 119.52 1b9r h ASP 69 Ca 0.01 -0.43 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 1b9r h ASP 69 Cb 0.99 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 1b9r h ASP 69 CO 0.08 1.34 0.50 0.25 -2.88 0.00 0.00 179.24 178.53 1b9r h LEU 70 N 0.07 1.03 0.23 2.28 6.46 0.32 -2.25 115.31 123.46 1b9r h LEU 70 Ca -0.13 -0.07 -0.34 0.00 -0.12 0.00 0.00 57.88 57.22 1b9r h LEU 70 Cb 1.96 -0.26 0.03 0.00 -0.73 0.00 0.00 40.66 41.66 1b9r h LEU 70 CO 0.20 0.80 -1.56 -0.07 -0.62 0.00 0.00 178.44 177.19 1b9r h LEU 71 N 1.17 0.77 -2.18 2.25 4.07 -1.60 -3.29 115.31 116.50 1b9r h LEU 71 Ca 0.30 -0.93 0.06 0.00 0.08 0.00 0.00 57.88 57.40 1b9r h LEU 71 Cb -0.02 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 1b9r h LEU 71 CO -0.05 1.74 0.22 1.56 -1.08 0.00 0.00 178.44 180.82 1b9r h GLN 72 N 0.12 0.00 0.00 1.13 1.08 -1.24 0.37 115.11 116.57 1b9r h GLN 72 Ca -0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1b9r h GLN 72 Cb 2.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.57 1b9r h GLN 72 CO 0.24 0.00 0.00 1.03 -0.95 0.00 0.00 178.83 179.15 1b9r h SER 73 N 0.00 0.00 0.12 1.46 0.87 -1.47 -3.20 113.55 111.33 1b9r h SER 73 Ca 0.10 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.40 1b9r h SER 73 Cb 0.54 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1b9r h SER 73 CO -0.00 0.00 -1.07 0.71 -0.53 0.00 0.00 176.83 175.93 1b9r h THR 74 N 0.00 1.31 0.00 2.23 1.35 -0.38 -3.48 112.91 113.94 1b9r h THR 74 Ca 0.00 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 1b9r h THR 74 Cb 0.68 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1b9r h THR 74 CO 0.00 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 1b9r n GLY 75 N 1.13 0.54 3.95 5.82 0.00 -1.21 -5.06 105.19 110.35 1b9r n GLY 75 Ca -0.11 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.56 3.47 0.24 1.61 0.41 -1.26 -5.05 118.70 114.56 1b9r s GLU 76 Ca 0.00 -0.53 -0.30 0.00 -0.41 0.00 0.00 54.97 53.73 1b9r s GLU 76 Cb 0.00 -2.84 -0.15 0.00 -1.78 0.00 0.00 34.13 29.36 1b9r s GLU 76 CO 0.00 0.38 1.08 -2.30 -0.49 0.00 0.00 175.26 173.93 1b9r n PRO 77 N -1.15 1.28 -4.44 0.39 -0.02 -1.26 -5.00 135.00 124.79 1b9r n PRO 77 Ca -0.07 0.45 -0.22 0.00 -2.02 0.00 0.00 63.50 61.64 1b9r n PRO 77 Cb 0.55 -1.88 -0.10 0.00 -0.02 0.00 0.00 33.50 32.05 1b9r n PRO 77 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1b9r s MET 78 N -0.99 1.58 0.05 -0.52 -1.94 -1.26 -5.16 119.30 111.07 1b9r s MET 78 Ca 0.65 -1.78 0.01 0.00 -1.71 0.00 0.00 55.69 52.86 1b9r s MET 78 Cb -0.77 -1.35 -0.00 0.00 2.01 0.00 0.00 34.83 34.72 1b9r s MET 78 CO 0.56 0.13 0.05 0.25 -0.01 0.00 0.00 175.02 176.00 1b9r n THR 79 N -0.60 0.00 -3.10 2.05 -2.24 -1.26 -5.10 114.28 104.03 1b9r n THR 79 Ca -0.06 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 60.96 1b9r n THR 79 Cb 0.62 0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.09 3.52 0.00 6.98 0.00 -1.26 -3.70 121.76 125.22 1b9r s ALA 80 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1b9r s ALA 80 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1b9r s ALA 80 CO 0.04 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1b9r n GLY 81 N 3.68 0.74 3.71 0.00 0.00 -1.26 -4.77 105.19 107.28 1b9r n GLY 81 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.56 2.74 -0.19 2.61 2.01 -1.24 -2.84 115.64 116.17 1b9r s THR 82 Ca 0.00 0.41 -0.29 0.00 0.31 0.00 0.00 61.69 62.11 1b9r s THR 82 Cb 0.00 -3.26 0.13 0.00 0.01 0.00 0.00 72.50 69.38 1b9r s THR 82 CO 0.00 0.02 1.04 -0.60 -0.69 0.00 0.00 174.62 174.39 1b9r s ARG 83 N 1.82 0.53 0.57 4.92 3.52 -1.18 -5.00 118.95 124.13 1b9r s ARG 83 Ca 0.73 0.18 -0.18 0.00 -0.13 0.00 0.00 55.73 56.33 1b9r s ARG 83 Cb -0.43 0.25 -0.13 0.00 -1.56 0.00 0.00 34.95 33.09 1b9r s ARG 83 CO 0.32 -0.16 0.02 1.28 -0.81 0.00 0.00 175.30 175.96 1b9r n LEU 84 N 0.88 -2.48 0.00 -0.88 4.77 -1.26 -4.13 117.00 113.90 1b9r n LEU 84 Ca -0.10 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1b9r n LEU 84 Cb 0.58 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1b9r n LEU 84 CO 0.14 -4.36 0.00 -0.24 -1.33 0.00 0.00 177.39 171.60 1b9r n SER 85 N 1.91 0.00 0.31 -1.43 2.88 -1.09 -4.30 113.62 111.90 1b9r n SER 85 Ca 0.08 0.17 0.20 0.00 -1.33 0.00 0.00 58.87 58.00 1b9r n SER 85 Cb 0.48 -0.45 1.08 0.00 -0.75 0.00 0.00 64.21 64.57 1b9r n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b9r n GLN 87 N -2.91 0.10 -3.84 0.00 -0.06 -1.26 -4.81 117.38 104.60 1b9r n GLN 87 Ca -0.03 0.16 -0.21 0.00 -2.00 0.00 0.00 57.00 54.93 1b9r n GLN 87 Cb 0.08 -1.63 -0.02 0.00 -4.06 0.00 0.00 30.24 24.61 1b9r n GLN 87 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1b9r s VAL 88 N -3.07 4.80 -0.20 1.69 1.01 -0.29 -4.94 120.40 119.40 1b9r s VAL 88 Ca 0.11 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 1b9r s VAL 88 Cb 0.14 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.90 1b9r s VAL 88 CO 0.48 -0.28 0.52 -0.36 0.00 0.00 0.00 175.10 175.46 1b9r s PHE 89 N -2.06 -0.58 0.93 5.22 0.40 -1.26 -3.52 117.98 117.11 1b9r s PHE 89 Ca 0.37 1.40 -0.10 0.00 -0.60 0.00 0.00 56.93 58.00 1b9r s PHE 89 Cb -0.09 0.20 0.14 0.00 0.51 0.00 0.00 43.02 43.78 1b9r s PHE 89 CO 0.29 -0.28 1.06 -0.89 0.70 0.00 0.00 175.22 176.10 1b9r n ILE 90 N 2.85 0.00 -3.58 0.64 2.08 0.26 -4.61 119.36 117.00 1b9r n ILE 90 Ca -0.14 -0.03 0.02 0.00 0.56 0.00 0.00 62.75 63.17 1b9r n ILE 90 Cb 0.56 -0.96 -0.00 0.00 -0.75 0.00 0.00 39.64 38.49 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 -2.56 -0.01 0.00 4.38 -4.77 -1.26 0.20 116.67 112.64 1b9r s ASP 91 Ca 0.66 -0.02 -0.01 0.00 -3.30 0.00 0.00 52.55 49.88 1b9r s ASP 91 Cb -0.23 0.03 -0.04 0.00 -1.09 0.00 0.00 42.92 41.60 1b9r s ASP 91 CO 0.59 -0.06 0.95 -2.65 0.70 0.00 0.00 175.17 174.70 1b9r n PRO 92 N -0.41 0.40 0.00 2.11 -0.02 -1.26 -1.10 135.00 134.73 1b9r n PRO 92 Ca -0.07 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1b9r n PRO 92 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 2.38 0.00 -2.31 2.55 3.41 -1.26 -4.87 113.62 113.51 1b9r n SER 93 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.37 1b9r n SER 93 Cb 0.19 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.16 3.18 -3.12 4.33 2.81 -0.26 -4.82 117.12 118.08 1b9r n MET 94 Ca 0.00 -3.86 -0.40 0.00 -1.81 0.00 0.00 57.70 51.63 1b9r n MET 94 Cb 0.00 -2.28 -0.06 0.00 -0.71 0.00 0.00 33.22 30.18 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 -2.69 6.71 0.00 7.83 1.01 -1.23 -3.45 116.67 124.84 1b9r s ASP 95 Ca 0.55 0.86 0.00 0.00 0.71 0.00 0.00 52.55 54.67 1b9r s ASP 95 Cb 0.44 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 42.02 1b9r s ASP 95 CO -0.07 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.67 1b9r n GLY 96 N 3.72 0.84 3.75 0.21 0.00 0.43 -4.72 105.19 109.42 1b9r n GLY 96 Ca -0.02 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1b9r n GLY 96 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b9r s LEU 97 N -0.47 4.39 -0.30 0.99 2.96 0.13 -4.66 118.68 121.72 1b9r s LEU 97 Ca 0.00 2.66 -0.04 0.00 -0.22 0.00 0.00 54.13 56.53 1b9r s LEU 97 Cb 0.00 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 43.10 1b9r s LEU 97 CO 0.00 -0.66 0.04 -0.63 -1.32 0.00 0.00 176.35 173.78 1b9r s ILE 98 N -0.25 3.41 0.55 6.68 1.09 -1.26 0.25 121.20 131.68 1b9r s ILE 98 Ca 0.57 -1.09 0.09 0.00 -1.10 0.00 0.00 60.65 59.12 1b9r s ILE 98 Cb -0.41 -2.86 0.08 0.00 -1.06 0.00 0.00 42.46 38.20 1b9r s ILE 98 CO 0.45 -0.03 0.76 -0.69 -0.10 0.00 0.00 174.94 175.33 1b9r s VAL 99 N 1.36 2.26 -0.24 2.92 1.01 1.68 0.26 120.40 129.65 1b9r s VAL 99 Ca -0.02 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.70 1b9r s VAL 99 Cb -0.19 -2.27 0.12 0.00 0.00 0.00 0.00 36.38 34.04 1b9r s VAL 99 CO 0.00 0.00 0.98 -0.13 0.00 0.00 0.00 175.10 175.95 1b9r s ARG 100 N -4.62 0.58 -0.10 2.72 0.52 0.77 -3.48 118.95 115.35 1b9r s ARG 100 Ca 0.61 0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 56.24 1b9r s ARG 100 Cb -0.06 0.28 -0.05 0.00 0.52 0.00 0.00 34.95 35.64 1b9r s ARG 100 CO 0.38 -0.10 0.23 0.08 0.02 0.00 0.00 175.30 175.90 1b9r s VAL 101 N -0.10 5.35 0.00 3.52 1.01 -0.91 -0.51 120.40 128.76 1b9r s VAL 101 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1b9r s VAL 101 Cb -0.04 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1b9r s VAL 101 CO -0.03 0.57 0.00 -2.65 0.00 0.00 0.00 175.10 172.99 1b9r n PRO 102 N 2.21 0.51 -1.47 2.72 -0.02 -1.26 -4.75 135.00 132.95 1b9r n PRO 102 Ca -0.17 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.01 1b9r n PRO 102 Cb 0.54 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.12 1b9r n PRO 102 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1b9r s LEU 103 N 0.00 2.45 0.00 2.45 1.43 -1.26 -4.79 118.68 118.95 1b9r s LEU 103 Ca 0.00 1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 54.22 1b9r s LEU 103 Cb 0.00 -3.85 0.29 0.00 0.03 0.00 0.00 46.19 42.66 1b9r s LEU 103 CO 0.00 -2.20 0.74 -2.65 0.23 0.00 0.00 176.35 172.47 1b9r n PRO 104 N -3.58 -3.92 -0.89 1.29 -0.02 -1.26 -5.12 135.00 121.50 1b9r n PRO 104 Ca 0.07 -1.22 0.00 0.00 -2.02 0.00 0.00 63.50 60.33 1b9r n PRO 104 Cb 0.56 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1b9r n PRO 104 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48