#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 2.01 0.22 -0.52 6.06 -1.26 -2.09 118.95 123.37 1b9r s ARG 2 Ca 0.00 -1.61 -0.22 0.00 -2.50 0.00 0.00 55.73 51.40 1b9r s ARG 2 Cb 0.00 -1.96 0.04 0.00 0.06 0.00 0.00 34.95 33.09 1b9r s ARG 2 CO 0.00 0.32 0.65 0.08 -2.50 0.00 0.00 175.30 173.85 1b9r s VAL 3 N -2.43 0.00 -0.24 7.11 1.01 0.54 0.19 120.40 126.58 1b9r s VAL 3 Ca 0.31 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1b9r s VAL 3 Cb -0.05 -1.51 0.13 0.00 0.00 0.00 0.00 36.38 34.95 1b9r s VAL 3 CO 0.18 -0.01 0.36 -0.69 0.00 0.00 0.00 175.10 174.94 1b9r s VAL 4 N -3.84 -0.57 0.68 2.92 1.01 0.11 0.24 120.40 120.95 1b9r s VAL 4 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1b9r s VAL 4 Cb -0.03 -0.80 0.09 0.00 0.00 0.00 0.00 36.38 35.64 1b9r s VAL 4 CO -0.03 -0.13 0.95 -0.36 0.00 0.00 0.00 175.10 175.52 1b9r s PHE 5 N 2.52 2.24 0.18 5.22 0.40 -0.13 0.43 117.98 128.84 1b9r s PHE 5 Ca 0.12 -0.02 -0.16 0.00 -0.60 0.00 0.00 56.93 56.26 1b9r s PHE 5 Cb -0.15 -3.02 0.02 0.00 0.51 0.00 0.00 43.02 40.38 1b9r s PHE 5 CO -0.15 -1.44 0.48 0.42 0.70 0.00 0.00 175.22 175.23 1b9r s ILE 6 N -3.08 0.04 0.00 0.64 -1.09 0.42 0.85 121.20 118.97 1b9r s ILE 6 Ca 0.63 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 1b9r s ILE 6 Cb -0.08 -1.55 0.00 0.00 -1.58 0.00 0.00 42.46 39.25 1b9r s ILE 6 CO 0.43 -0.16 0.00 -0.67 -1.23 0.00 0.00 174.94 173.31 1b9r n ASP 7 N -0.31 0.00 -0.62 3.58 -0.08 -1.26 -0.91 116.55 116.95 1b9r n ASP 7 Ca -0.11 -0.93 0.08 0.00 -1.51 0.00 0.00 54.79 52.33 1b9r n ASP 7 Cb 0.63 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.15 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 0.00 1.33 0.01 -0.67 2.13 -1.26 -2.44 120.64 119.75 1b9r n GLU 8 Ca 0.00 -1.39 -0.22 0.00 0.66 0.00 0.00 57.16 56.22 1b9r n GLU 8 Cb 0.00 -1.31 -0.14 0.00 0.27 0.00 0.00 31.44 30.26 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 3.02 0.28 0.00 5.31 1.08 -1.95 -3.42 115.11 119.43 1b9r h GLN 9 Ca 0.00 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1b9r h GLN 9 Cb 0.66 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1b9r h GLN 9 CO 0.00 1.23 -0.71 0.45 -0.95 0.00 0.00 178.83 178.85 1b9r n SER 10 N -3.51 3.55 -0.06 1.46 2.88 -1.26 -5.02 113.62 111.66 1b9r n SER 10 Ca -0.31 -0.02 -0.01 0.00 -1.33 0.00 0.00 58.87 57.21 1b9r n SER 10 Cb 1.05 0.74 -0.00 0.00 -0.75 0.00 0.00 64.21 65.25 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 1.81 0.46 0.00 0.46 0.00 -1.02 -4.97 105.19 101.93 1b9r n GLY 11 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.94 0.00 -2.98 1.61 2.13 -1.26 -4.56 120.64 112.63 1b9r n GLU 12 Ca -0.01 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.67 1b9r n GLU 12 Cb 0.03 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.76 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 -1.05 -1.55 4.31 4.02 0.25 -4.77 117.16 117.80 1b9r n TYR 13 Ca 0.00 -3.09 -0.42 0.00 -0.01 0.00 0.00 57.90 54.38 1b9r n TYR 13 Cb 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 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 0.29 -0.56 -3.00 -0.72 0.00 -1.25 -0.96 120.51 114.31 1b9r n ALA 14 Ca 0.17 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1b9r n ALA 14 Cb 0.68 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.45 0.00 -3.54 0.00 3.14 0.66 -4.74 118.33 113.40 1b9r n VAL 15 Ca 0.11 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.39 1b9r n VAL 15 Cb 0.37 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.13 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 -0.45 0.13 6.55 1.11 -1.24 0.20 116.67 124.97 1b9r s ASP 16 Ca 0.00 -0.14 0.03 0.00 0.18 0.00 0.00 52.55 52.61 1b9r s ASP 16 Cb 0.00 0.58 -0.01 0.00 1.07 0.00 0.00 42.92 44.56 1b9r s ASP 16 CO 0.00 -0.98 0.12 0.00 1.18 0.00 0.00 175.17 175.49 1b9r n ALA 17 N -0.38 0.23 -3.08 5.23 0.00 -0.89 -4.68 120.51 116.95 1b9r n ALA 17 Ca -0.12 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 1b9r n ALA 17 Cb 0.63 0.62 -0.14 0.00 0.00 0.00 0.00 19.45 20.55 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 -2.51 0.01 -0.57 0.00 -1.52 -1.26 0.28 119.66 114.08 1b9r s GLN 18 Ca 0.15 0.06 -0.38 0.00 -1.95 0.00 0.00 55.36 53.24 1b9r s GLN 18 Cb 0.01 -0.04 -0.17 0.00 -0.22 0.00 0.00 33.01 32.58 1b9r s GLN 18 CO 0.11 -0.04 2.28 -0.25 -0.25 0.00 0.00 175.29 177.14 1b9r n ASP 19 N 3.31 1.04 0.00 5.90 8.00 -1.26 -0.17 116.55 133.37 1b9r n ASP 19 Ca -0.15 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1b9r n ASP 19 Cb 0.58 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 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 7.00 0.92 3.37 0.44 0.00 0.52 -4.85 105.19 112.60 1b9r n GLY 20 Ca 0.53 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 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 1.92 0.64 1.61 -0.21 0.76 -4.68 119.66 119.70 1b9r s GLN 21 Ca 0.00 -1.05 0.07 0.00 0.02 0.00 0.00 55.36 54.40 1b9r s GLN 21 Cb 0.00 -2.05 0.11 0.00 1.00 0.00 0.00 33.01 32.07 1b9r s GLN 21 CO 0.00 0.53 0.88 -1.54 -2.12 0.00 0.00 175.29 173.03 1b9r s SER 22 N -1.21 4.79 0.00 5.90 1.04 -1.21 0.16 113.70 123.18 1b9r s SER 22 Ca 0.12 -0.75 0.30 0.00 0.48 0.00 0.00 55.95 56.10 1b9r s SER 22 Cb -0.10 0.31 1.79 0.00 0.10 0.00 0.00 66.02 68.11 1b9r s SER 22 CO 0.02 -1.57 2.12 -0.11 0.98 0.00 0.00 173.24 174.68 1b9r n LEU 23 N -2.47 0.00 -0.02 2.42 7.94 -1.24 -2.46 117.00 121.17 1b9r n LEU 23 Ca 0.16 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.91 1b9r n LEU 23 Cb 0.61 -0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.42 1b9r n LEU 23 CO 0.40 -0.00 -0.73 0.80 -1.11 0.00 0.00 177.39 176.75 1b9r n MET 24 N -1.00 0.70 0.10 1.96 1.56 -1.26 -3.69 117.12 115.48 1b9r n MET 24 Ca 0.22 0.26 -0.23 0.00 -0.27 0.00 0.00 57.70 57.68 1b9r n MET 24 Cb 0.10 -1.73 -0.15 0.00 2.15 0.00 0.00 33.22 33.60 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 0.04 0.44 0.18 2.12 5.08 -1.89 -3.32 114.58 117.23 1b9r h GLU 25 Ca -0.38 -0.75 0.01 0.00 -1.00 0.00 0.00 59.36 57.24 1b9r h GLU 25 Cb 2.03 0.28 -0.04 0.00 0.50 0.00 0.00 28.75 31.52 1b9r h GLU 25 CO 0.07 1.36 -0.46 0.28 -1.00 0.00 0.00 179.01 179.26 1b9r h VAL 26 N 0.01 0.09 0.00 3.13 2.07 -1.67 -2.64 116.25 117.23 1b9r h VAL 26 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1b9r h VAL 26 Cb 2.03 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1b9r h VAL 26 CO 0.21 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.80 1b9r n ALA 27 N -2.86 0.00 -0.30 1.67 0.00 -1.24 0.36 120.51 118.14 1b9r n ALA 27 Ca -0.08 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.69 1b9r n ALA 27 Cb 0.40 0.16 0.73 0.00 0.00 0.00 0.00 19.45 20.74 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 0.44 0.03 0.00 1.35 -1.62 1.31 112.91 114.42 1b9r h THR 28 Ca 0.00 -0.01 -0.22 0.00 -0.55 0.00 0.00 66.41 65.63 1b9r h THR 28 Cb 0.00 0.40 -0.02 0.00 -1.73 0.00 0.00 68.15 66.80 1b9r h THR 28 CO 0.00 0.01 -1.04 1.56 -0.25 0.00 0.00 175.52 175.80 1b9r h GLN 29 N 0.04 0.07 -0.22 4.72 1.08 0.67 -3.16 115.11 118.31 1b9r h GLN 29 Ca 0.55 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 1b9r h GLN 29 Cb 2.11 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.59 1b9r h GLN 29 CO -0.03 1.04 0.00 0.09 -0.95 0.00 0.00 178.83 178.97 1b9r n ASN 30 N -3.42 1.51 -0.04 1.46 3.02 0.42 -4.86 115.26 113.35 1b9r n ASN 30 Ca -0.02 -1.83 -0.01 0.00 -0.03 0.00 0.00 54.58 52.70 1b9r n ASN 30 Cb 0.94 -0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 39.97 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 1.03 0.45 3.77 7.41 0.00 0.31 -4.93 105.19 113.23 1b9r n GLY 31 Ca 0.13 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.86 3.03 0.00 1.61 1.01 0.85 -4.85 120.40 120.19 1b9r s VAL 32 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1b9r s VAL 32 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1b9r s VAL 32 CO 0.00 0.19 0.00 -0.81 0.00 0.00 0.00 175.10 174.48 1b9r n PRO 33 N 0.63 0.00 -3.15 2.72 -0.04 -1.26 -4.01 135.00 129.88 1b9r n PRO 33 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1b9r n PRO 33 Cb 0.44 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 1.18 0.00 0.00 0.55 0.00 -1.26 -4.51 105.19 101.15 1b9r n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.89 0.00 0.01 -0.61 2.08 -1.26 -4.53 119.36 114.16 1b9r n ILE 35 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1b9r n ILE 35 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1b9r n ILE 35 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 1b9r n VAL 36 N 0.00 0.00 -2.78 1.39 3.14 -1.26 -5.08 118.33 113.74 1b9r n VAL 36 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 1b9r n VAL 36 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1b9r n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b9r n ALA 37 N -2.34 -2.98 -0.05 1.55 0.00 -1.26 -4.97 120.51 110.45 1b9r n ALA 37 Ca 0.00 1.28 -0.02 0.00 0.00 0.00 0.00 53.44 54.70 1b9r n ALA 37 Cb 0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 19.45 16.79 1b9r n ALA 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1b9r h GLU 38 N 4.00 0.00 -0.14 0.00 4.39 -1.98 -3.36 114.58 117.49 1b9r h GLU 38 Ca -0.27 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.47 1b9r h GLU 38 Cb 0.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1b9r h GLU 38 CO 0.03 0.00 0.15 0.00 -1.16 0.00 0.00 179.01 178.02 1b9r n GLY 40 N -1.40 0.14 2.76 0.00 0.00 -1.26 -3.12 105.19 102.30 1b9r n GLY 40 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.09 0.84 0.00 -0.02 0.00 -1.26 -4.87 105.19 98.80 1b9r n GLY 41 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1b9r n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b9r n SER 42 N -0.01 0.00 -3.44 1.61 7.64 -1.18 -4.92 113.62 113.32 1b9r n SER 42 Ca 0.00 -0.30 -0.18 0.00 1.01 0.00 0.00 58.87 59.40 1b9r n SER 42 Cb 0.00 -0.18 0.03 0.00 -1.01 0.00 0.00 64.21 63.05 1b9r n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b9r n VAL 44 N -3.05 0.00 -4.14 0.00 0.24 -1.26 -5.13 118.33 104.98 1b9r n VAL 44 Ca -0.10 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 1b9r n VAL 44 Cb 0.59 0.14 -0.07 0.00 -1.47 0.00 0.00 33.84 33.03 1b9r n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b9r n ALA 46 N -0.48 1.60 0.84 0.00 0.00 -1.26 -4.80 120.51 116.40 1b9r n ALA 46 Ca 0.02 -0.85 0.11 0.00 0.00 0.00 0.00 53.44 52.73 1b9r n ALA 46 Cb 0.63 -0.28 0.51 0.00 0.00 0.00 0.00 19.45 20.31 1b9r n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1b9r n THR 47 N -0.06 0.39 -1.56 0.00 5.66 -1.26 -3.86 114.28 113.59 1b9r n THR 47 Ca 0.01 0.10 -0.29 0.00 -3.05 0.00 0.00 64.05 60.81 1b9r n THR 47 Cb 0.60 -0.70 -0.06 0.00 -1.55 0.00 0.00 70.33 68.63 1b9r n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b9r s ARG 49 N -1.02 2.45 0.42 0.00 1.04 -1.25 -4.62 118.95 115.97 1b9r s ARG 49 Ca 0.59 -0.53 0.08 0.00 -1.04 0.00 0.00 55.73 54.83 1b9r s ARG 49 Cb 0.31 -5.10 -0.02 0.00 -2.04 0.00 0.00 34.95 28.09 1b9r s ARG 49 CO -0.15 -3.69 0.34 0.42 -0.04 0.00 0.00 175.30 172.18 1b9r s ILE 50 N 10.82 2.54 -0.12 4.99 1.09 -1.26 -4.94 121.20 134.32 1b9r s ILE 50 Ca 0.71 -1.42 -0.05 0.00 -1.10 0.00 0.00 60.65 58.79 1b9r s ILE 50 Cb -0.05 -2.96 0.06 0.00 -1.06 0.00 0.00 42.46 38.45 1b9r s ILE 50 CO 0.05 0.00 0.25 -1.61 -0.10 0.00 0.00 174.94 173.52 1b9r s GLU 51 N -4.09 0.14 0.50 2.79 2.02 0.11 -3.37 118.70 116.79 1b9r s GLU 51 Ca 0.46 0.70 -0.22 0.00 0.02 0.00 0.00 54.97 55.93 1b9r s GLU 51 Cb -0.02 -0.08 -0.07 0.00 0.10 0.00 0.00 34.13 34.07 1b9r s GLU 51 CO 0.27 -0.27 1.16 0.42 0.02 0.00 0.00 175.26 176.86 1b9r s ILE 52 N 2.25 3.07 1.01 -1.63 -1.09 -1.20 0.25 121.20 123.85 1b9r s ILE 52 Ca 0.00 0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 59.02 1b9r s ILE 52 Cb -0.12 -3.35 0.24 0.00 -1.58 0.00 0.00 42.46 37.65 1b9r s ILE 52 CO -0.08 -0.06 0.54 -1.84 -1.23 0.00 0.00 174.94 172.27 1b9r n GLU 53 N -0.82 -2.97 -0.66 2.79 0.00 -0.10 -4.69 120.64 114.20 1b9r n GLU 53 Ca 0.09 -0.91 0.02 0.00 0.00 0.00 0.00 57.16 56.36 1b9r n GLU 53 Cb 0.49 -1.36 0.27 0.00 0.00 0.00 0.00 31.44 30.83 1b9r n GLU 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1b9r n ASP 54 N -3.62 4.24 -0.03 -1.84 5.75 -1.26 -3.74 116.55 116.05 1b9r n ASP 54 Ca 0.09 -2.71 -0.03 0.00 -0.01 0.00 0.00 54.79 52.12 1b9r n ASP 54 Cb 0.38 -0.65 -0.04 0.00 -1.03 0.00 0.00 41.12 39.78 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b9r n ALA 55 N 0.31 1.86 0.47 2.12 0.00 -1.26 -4.70 120.51 119.30 1b9r n ALA 55 Ca 0.22 -0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.38 1b9r n ALA 55 Cb 0.97 0.14 0.12 0.00 0.00 0.00 0.00 19.45 20.68 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 -2.25 0.19 -0.10 0.00 7.02 -1.25 -4.37 117.44 116.68 1b9r n TRP 56 Ca -0.10 -0.13 -0.06 0.00 -1.02 0.00 0.00 57.50 56.20 1b9r n TRP 56 Cb 0.68 -0.00 0.13 0.00 -2.42 0.00 0.00 31.31 29.70 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 3.40 1.25 -0.00 -0.99 2.07 -1.84 3.10 116.25 123.24 1b9r h VAL 57 Ca 0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1b9r h VAL 57 Cb 0.77 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1b9r h VAL 57 CO 0.00 0.39 -0.01 -0.62 0.02 0.00 0.00 177.57 177.35 1b9r n GLU 58 N -4.18 0.62 -0.12 1.57 -0.58 -1.26 -0.83 120.64 115.86 1b9r n GLU 58 Ca 0.02 -0.02 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1b9r n GLU 58 Cb 0.35 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.61 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 -1.17 1.37 0.00 -3.67 5.41 0.76 -4.83 119.36 117.22 1b9r n ILE 59 Ca 0.17 -0.52 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1b9r n ILE 59 Cb 0.21 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 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 -3.21 0.00 -2.63 1.39 0.31 1.00 -4.69 118.33 110.51 1b9r n VAL 60 Ca -0.42 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1b9r n VAL 60 Cb 0.95 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 2.16 0.00 0.20 2.92 0.00 -0.01 -4.68 105.19 105.78 1b9r n GLY 61 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 1.39 0.00 -7.08 1.61 4.39 -1.90 -3.46 114.58 109.53 1b9r h GLU 62 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1b9r h GLU 62 Cb 0.00 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 28.79 1b9r h GLU 62 CO 0.00 0.00 0.56 0.00 -1.16 0.00 0.00 179.01 178.41 1b9r s ALA 63 N -3.22 2.59 0.77 3.43 0.00 -1.26 -5.03 121.76 119.05 1b9r s ALA 63 Ca 0.07 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.26 1b9r s ALA 63 Cb 0.07 -3.55 0.15 0.00 0.00 0.00 0.00 23.12 19.78 1b9r s ALA 63 CO 0.64 -1.46 1.05 0.54 0.00 0.00 0.00 175.76 176.53 1b9r s ASN 64 N -1.21 4.10 0.00 0.00 2.20 -1.26 -4.94 114.94 113.83 1b9r s ASN 64 Ca 0.77 -0.35 0.00 0.00 -0.94 0.00 0.00 52.86 52.34 1b9r s ASN 64 Cb -0.38 0.07 0.00 0.00 -2.00 0.00 0.00 41.25 38.94 1b9r s ASN 64 CO 0.43 -2.04 0.59 -2.65 -2.94 0.00 0.00 177.10 170.48 1b9r n PRO 65 N -2.99 0.68 -0.06 3.55 -0.02 -1.26 -3.64 135.00 131.27 1b9r n PRO 65 Ca 0.16 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.59 1b9r n PRO 65 Cb 0.61 -1.10 -0.02 0.00 -0.02 0.00 0.00 33.50 32.97 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 -0.31 1.50 -0.19 2.55 9.92 -1.26 -3.46 116.55 125.29 1b9r n ASP 66 Ca 0.00 0.51 0.20 0.00 -0.53 0.00 0.00 54.79 54.97 1b9r n ASP 66 Cb 0.05 -0.78 0.56 0.00 -0.64 0.00 0.00 41.12 40.31 1b9r n ASP 66 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1b9r h GLU 67 N -0.82 0.29 -0.02 -1.24 -0.00 -1.96 0.68 114.58 111.51 1b9r h GLU 67 Ca 0.00 -0.02 -0.18 0.00 -0.00 0.00 0.00 59.36 59.16 1b9r h GLU 67 Cb 0.50 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.17 1b9r h GLU 67 CO 0.00 0.19 -0.78 -0.97 -0.00 0.00 0.00 179.01 177.45 1b9r h ASN 68 N 0.30 0.24 0.06 3.06 -1.24 -1.76 -2.97 115.58 113.26 1b9r h ASN 68 Ca 0.42 -0.17 -0.12 0.00 0.71 0.00 0.00 56.30 57.14 1b9r h ASN 68 Cb 1.18 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1b9r h ASN 68 CO -0.12 0.93 -0.56 -0.78 -1.29 0.00 0.00 177.43 175.61 1b9r h ASP 69 N 0.12 0.20 -0.23 1.15 3.58 -0.68 -2.91 116.42 117.65 1b9r h ASP 69 Ca -0.03 -0.92 0.06 0.00 0.42 0.00 0.00 57.03 56.56 1b9r h ASP 69 Cb 1.36 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 42.28 1b9r h ASP 69 CO 0.12 1.25 -0.24 0.25 -2.88 0.00 0.00 179.24 177.74 1b9r h LEU 70 N -0.71 -0.75 -0.19 2.28 6.46 0.09 0.44 115.31 122.93 1b9r h LEU 70 Ca -0.12 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1b9r h LEU 70 Cb 1.33 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 1b9r h LEU 70 CO 0.04 -0.27 0.07 -0.07 -0.62 0.00 0.00 178.44 177.59 1b9r h LEU 71 N -0.25 0.26 -1.67 2.25 -0.00 -1.68 -2.53 115.31 111.68 1b9r h LEU 71 Ca 0.13 -0.16 0.16 0.00 -0.00 0.00 0.00 57.88 58.01 1b9r h LEU 71 Cb 0.45 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 1b9r h LEU 71 CO -0.37 0.35 0.50 1.56 -0.00 0.00 0.00 178.44 180.47 1b9r h GLN 72 N 0.15 0.31 0.00 1.13 1.08 -1.23 0.53 115.11 117.08 1b9r h GLN 72 Ca 0.06 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1b9r h GLN 72 Cb 0.17 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1b9r h GLN 72 CO -0.01 0.20 0.00 0.45 -0.95 0.00 0.00 178.83 178.53 1b9r n SER 73 N -4.45 0.00 -0.02 1.46 2.88 0.10 -2.73 113.62 110.85 1b9r n SER 73 Ca 0.14 0.30 -0.21 0.00 -1.33 0.00 0.00 58.87 57.76 1b9r n SER 73 Cb 0.58 -0.39 -0.13 0.00 -0.75 0.00 0.00 64.21 63.52 1b9r n SER 73 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1b9r h THR 74 N 0.00 0.96 0.00 2.46 1.35 0.04 -3.49 112.91 114.23 1b9r h THR 74 Ca 0.00 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 1b9r h THR 74 Cb 0.18 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1b9r h THR 74 CO 0.00 0.63 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1b9r n GLY 75 N 1.70 0.47 3.40 5.82 0.00 -1.11 -5.10 105.19 110.37 1b9r n GLY 75 Ca -0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 2.99 0.98 1.61 2.02 -1.26 -5.06 118.70 119.98 1b9r s GLU 76 Ca 0.00 -1.25 -0.16 0.00 0.02 0.00 0.00 54.97 53.58 1b9r s GLU 76 Cb 0.00 -4.11 -0.05 0.00 0.10 0.00 0.00 34.13 30.08 1b9r s GLU 76 CO 0.00 -1.01 -0.21 -2.30 0.02 0.00 0.00 175.26 171.76 1b9r n PRO 77 N 5.30 -0.24 -4.66 0.39 -0.02 -1.26 -4.60 135.00 129.90 1b9r n PRO 77 Ca -0.12 -0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.02 1b9r n PRO 77 Cb 0.44 -1.45 -0.09 0.00 -0.02 0.00 0.00 33.50 32.38 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 -2.87 2.05 -0.06 -0.52 1.00 -1.26 -5.05 119.30 112.58 1b9r s MET 78 Ca 0.49 -2.25 -0.03 0.00 0.00 0.00 0.00 55.69 53.90 1b9r s MET 78 Cb -0.18 -1.41 0.03 0.00 0.00 0.00 0.00 34.83 33.28 1b9r s MET 78 CO 0.74 -0.26 0.14 0.95 0.00 0.00 0.00 175.02 176.58 1b9r s THR 79 N -2.90 -0.04 -0.66 2.05 -4.23 -1.26 -5.04 115.64 103.56 1b9r s THR 79 Ca 0.19 0.15 -0.27 0.00 -1.18 0.00 0.00 61.69 60.59 1b9r s THR 79 Cb 0.05 -0.23 -0.16 0.00 1.34 0.00 0.00 72.50 73.50 1b9r s THR 79 CO 0.10 0.06 1.95 0.00 -0.54 0.00 0.00 174.62 176.20 1b9r n ALA 80 N 4.02 0.21 0.00 3.99 0.00 -1.26 0.12 120.51 127.59 1b9r n ALA 80 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1b9r n ALA 80 Cb 0.53 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1b9r n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b9r n GLY 81 N 5.23 1.25 3.65 0.00 0.00 -1.26 -4.80 105.19 109.26 1b9r n GLY 81 Ca 0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.42 3.46 0.22 2.61 2.01 0.32 -3.27 115.64 119.58 1b9r s THR 82 Ca 0.00 0.54 -0.22 0.00 0.31 0.00 0.00 61.69 62.32 1b9r s THR 82 Cb 0.00 -3.40 0.06 0.00 0.01 0.00 0.00 72.50 69.17 1b9r s THR 82 CO 0.00 -0.10 0.92 0.00 -0.69 0.00 0.00 174.62 174.75 1b9r s ARG 83 N 4.43 1.49 -1.35 4.92 1.70 -1.22 -4.80 118.95 124.12 1b9r s ARG 83 Ca 0.78 -0.89 -0.17 0.00 -0.47 0.00 0.00 55.73 54.98 1b9r s ARG 83 Cb -0.33 0.46 0.06 0.00 -0.57 0.00 0.00 34.95 34.57 1b9r s ARG 83 CO 0.32 -0.69 1.90 1.28 -1.08 0.00 0.00 175.30 177.03 1b9r n LEU 84 N -0.55 5.58 0.29 -1.89 4.77 -1.26 -4.08 117.00 119.86 1b9r n LEU 84 Ca -0.05 -3.99 0.16 0.00 -0.03 0.00 0.00 56.01 52.09 1b9r n LEU 84 Cb 0.60 -1.72 0.92 0.00 -2.33 0.00 0.00 43.42 40.89 1b9r n LEU 84 CO 0.18 0.46 1.13 0.28 -1.33 0.00 0.00 177.39 178.12 1b9r h SER 85 N 7.05 0.00 -0.24 -1.43 0.02 -1.90 -2.21 113.55 114.84 1b9r h SER 85 Ca 0.49 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.51 1b9r h SER 85 Cb 0.79 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1b9r h SER 85 CO 1.60 0.00 0.43 0.00 -1.14 0.00 0.00 176.83 177.72 1b9r n GLN 87 N -3.32 1.44 -3.24 0.00 10.64 -0.83 -4.76 117.38 117.30 1b9r n GLN 87 Ca 0.03 -1.16 -0.42 0.00 -1.83 0.00 0.00 57.00 53.62 1b9r n GLN 87 Cb 0.55 -1.28 -0.08 0.00 -0.86 0.00 0.00 30.24 28.57 1b9r n GLN 87 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1b9r s VAL 88 N -1.53 5.00 -0.12 -0.39 1.01 0.19 -5.01 120.40 119.56 1b9r s VAL 88 Ca 0.16 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 1b9r s VAL 88 Cb 0.13 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1b9r s VAL 88 CO 0.27 -0.31 0.04 -0.36 0.00 0.00 0.00 175.10 174.75 1b9r s PHE 89 N 2.40 3.25 0.98 5.22 0.08 -1.26 -3.28 117.98 125.38 1b9r s PHE 89 Ca 0.18 0.19 -0.16 0.00 0.12 0.00 0.00 56.93 57.26 1b9r s PHE 89 Cb -0.16 -1.90 -0.08 0.00 -0.57 0.00 0.00 43.02 40.31 1b9r s PHE 89 CO 0.14 0.40 -0.40 -0.89 -0.10 0.00 0.00 175.22 174.38 1b9r n ILE 90 N 2.57 0.00 -3.61 0.64 2.08 0.43 -4.42 119.36 117.05 1b9r n ILE 90 Ca -0.18 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.74 1b9r n ILE 90 Cb 0.53 -0.22 -0.01 0.00 -0.75 0.00 0.00 39.64 39.20 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 -1.36 -0.07 0.00 4.38 1.47 -1.26 -0.36 116.67 119.48 1b9r s ASP 91 Ca 0.46 -0.08 -0.00 0.00 1.18 0.00 0.00 52.55 54.10 1b9r s ASP 91 Cb -0.19 0.14 -0.01 0.00 -0.34 0.00 0.00 42.92 42.52 1b9r s ASP 91 CO 0.77 -0.24 0.62 -2.65 0.68 0.00 0.00 175.17 174.35 1b9r n PRO 92 N -0.37 0.28 0.00 2.11 -0.02 -1.26 -1.10 135.00 134.64 1b9r n PRO 92 Ca -0.06 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1b9r n PRO 92 Cb 0.61 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 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 2.12 0.83 -2.32 2.55 3.41 -1.26 -4.86 113.62 114.09 1b9r n SER 93 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.37 1b9r n SER 93 Cb 0.13 0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.88 3.50 -3.19 4.33 2.81 -0.26 -4.77 117.12 118.65 1b9r n MET 94 Ca 0.00 -4.39 -0.39 0.00 -1.81 0.00 0.00 57.70 51.11 1b9r n MET 94 Cb 0.09 -2.26 -0.06 0.00 -0.71 0.00 0.00 33.22 30.27 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 -3.56 6.67 -0.30 7.83 1.01 -1.24 -3.38 116.67 123.70 1b9r s ASP 95 Ca 0.49 0.80 0.00 0.00 0.71 0.00 0.00 52.55 54.56 1b9r s ASP 95 Cb 0.40 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 42.01 1b9r s ASP 95 CO -0.11 -0.18 0.00 0.61 0.21 0.00 0.00 175.17 175.71 1b9r n GLY 96 N 3.67 0.29 3.78 0.21 0.00 0.50 -4.72 105.19 108.92 1b9r n GLY 96 Ca -0.04 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.94 3.86 -0.10 0.99 0.05 -0.20 -4.64 118.68 117.70 1b9r s LEU 97 Ca 0.00 2.15 -0.00 0.00 0.05 0.00 0.00 54.13 56.32 1b9r s LEU 97 Cb 0.00 -4.47 -0.03 0.00 -2.05 0.00 0.00 46.19 39.64 1b9r s LEU 97 CO 0.00 -1.00 -0.08 -0.63 -0.55 0.00 0.00 176.35 174.09 1b9r s ILE 98 N -1.75 3.58 0.10 1.48 1.09 -1.26 0.06 121.20 124.50 1b9r s ILE 98 Ca 0.68 -0.50 0.07 0.00 -1.10 0.00 0.00 60.65 59.81 1b9r s ILE 98 Cb -0.23 -2.50 -0.03 0.00 -1.06 0.00 0.00 42.46 38.63 1b9r s ILE 98 CO 0.27 0.55 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.79 1b9r s VAL 99 N -0.25 1.50 0.13 2.92 1.01 1.47 -0.92 120.40 126.27 1b9r s VAL 99 Ca 0.03 -1.49 -0.05 0.00 0.00 0.00 0.00 61.98 60.47 1b9r s VAL 99 Cb -0.13 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1b9r s VAL 99 CO 0.03 -0.15 0.15 -0.13 0.00 0.00 0.00 175.10 175.00 1b9r s ARG 100 N -1.94 0.96 -0.42 2.72 0.52 0.69 0.16 118.95 121.63 1b9r s ARG 100 Ca 0.04 -1.24 0.10 0.00 -0.52 0.00 0.00 55.73 54.12 1b9r s ARG 100 Cb -0.10 0.30 0.36 0.00 0.52 0.00 0.00 34.95 36.04 1b9r s ARG 100 CO 0.04 -0.30 0.82 0.28 0.02 0.00 0.00 175.30 176.15 1b9r n VAL 101 N -0.11 0.87 -2.32 3.52 0.31 -0.09 0.06 118.33 120.58 1b9r n VAL 101 Ca -0.09 -4.75 -0.26 0.00 -0.01 0.00 0.00 64.34 59.23 1b9r n VAL 101 Cb 0.63 -0.53 0.16 0.00 -0.91 0.00 0.00 33.84 33.19 1b9r n VAL 101 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1b9r s PRO 102 N -2.80 1.04 0.17 5.55 0.04 -1.26 -4.03 135.00 133.71 1b9r s PRO 102 Ca 0.42 -0.92 -0.13 0.00 0.04 0.00 0.00 61.00 60.41 1b9r s PRO 102 Cb 0.34 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1b9r s PRO 102 CO -0.09 -2.00 0.39 -0.51 0.04 0.00 0.00 177.00 174.83 1b9r s LEU 103 N -5.52 0.56 -0.79 -3.56 1.43 -1.26 -4.99 118.68 104.56 1b9r s LEU 103 Ca 0.72 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.91 1b9r s LEU 103 Cb -0.03 1.64 -0.00 0.00 0.03 0.00 0.00 46.19 47.83 1b9r s LEU 103 CO 0.49 -0.95 1.67 -2.16 0.23 0.00 0.00 176.35 175.63 1b9r s PRO 104 N -3.91 2.92 0.00 1.29 0.04 -1.26 -5.24 135.00 128.84 1b9r s PRO 104 Ca 0.12 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1b9r s PRO 104 Cb 0.01 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1b9r s PRO 104 CO -0.03 -2.67 0.44 0.00 0.04 0.00 0.00 177.00 174.79