#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 2.09 0.22 -0.52 3.52 -1.26 -1.52 118.95 121.48 1b9r s ARG 2 Ca 0.00 -1.70 -0.22 0.00 -0.13 0.00 0.00 55.73 53.68 1b9r s ARG 2 Cb 0.00 -1.96 0.04 0.00 -1.56 0.00 0.00 34.95 31.47 1b9r s ARG 2 CO 0.00 0.17 0.72 0.08 -0.81 0.00 0.00 175.30 175.46 1b9r s VAL 3 N -2.49 0.00 -0.23 7.11 1.01 0.72 0.22 120.40 126.74 1b9r s VAL 3 Ca 0.34 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1b9r s VAL 3 Cb -0.01 -1.68 0.12 0.00 0.00 0.00 0.00 36.38 34.81 1b9r s VAL 3 CO 0.19 0.00 0.34 -0.69 0.00 0.00 0.00 175.10 174.94 1b9r s VAL 4 N -3.78 -0.53 0.66 2.92 1.01 0.22 0.25 120.40 121.14 1b9r s VAL 4 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1b9r s VAL 4 Cb -0.04 -0.78 0.08 0.00 0.00 0.00 0.00 36.38 35.64 1b9r s VAL 4 CO 0.00 -0.15 0.92 -0.36 0.00 0.00 0.00 175.10 175.51 1b9r s PHE 5 N 2.49 2.30 0.14 5.22 0.40 0.30 0.39 117.98 129.20 1b9r s PHE 5 Ca 0.11 -0.05 -0.16 0.00 -0.60 0.00 0.00 56.93 56.23 1b9r s PHE 5 Cb -0.15 -2.96 0.03 0.00 0.51 0.00 0.00 43.02 40.45 1b9r s PHE 5 CO -0.15 -1.35 0.41 0.42 0.70 0.00 0.00 175.22 175.24 1b9r s ILE 6 N -3.02 0.06 0.09 0.64 -1.09 -1.25 0.26 121.20 116.89 1b9r s ILE 6 Ca 0.62 -0.64 -0.27 0.00 -2.23 0.00 0.00 60.65 58.13 1b9r s ILE 6 Cb -0.08 -1.25 0.09 0.00 -1.58 0.00 0.00 42.46 39.64 1b9r s ILE 6 CO 0.42 -0.29 1.10 -0.62 -1.23 0.00 0.00 174.94 174.32 1b9r s ASP 7 N -2.82 -0.10 0.18 3.58 2.15 -1.26 -2.81 116.67 115.59 1b9r s ASP 7 Ca 0.04 -0.34 0.26 0.00 0.43 0.00 0.00 52.55 52.95 1b9r s ASP 7 Cb 0.02 0.36 0.80 0.00 -0.30 0.00 0.00 42.92 43.80 1b9r s ASP 7 CO -0.10 -0.67 1.74 1.21 -0.17 0.00 0.00 175.17 177.17 1b9r n GLU 8 N -0.53 0.23 -0.12 4.34 4.07 -1.23 0.30 120.64 127.70 1b9r n GLU 8 Ca -0.06 0.18 0.09 0.00 -0.06 0.00 0.00 57.16 57.30 1b9r n GLU 8 Cb 0.61 -1.76 0.29 0.00 -0.06 0.00 0.00 31.44 30.53 1b9r n GLU 8 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1b9r n GLN 9 N -2.16 1.80 0.00 5.31 6.02 -1.26 -4.56 117.38 122.53 1b9r n GLN 9 Ca 0.05 -1.22 0.00 0.00 -0.01 0.00 0.00 57.00 55.83 1b9r n GLN 9 Cb 0.42 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1b9r n GLN 9 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1b9r n SER 10 N 0.45 0.00 0.00 1.08 2.88 -1.20 -5.01 113.62 111.82 1b9r n SER 10 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1b9r n SER 10 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.40 0.43 0.00 0.46 0.00 0.86 -4.91 105.19 101.64 1b9r n GLY 11 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.93 0.00 -2.93 1.61 2.13 -1.25 -4.52 120.64 112.74 1b9r n GLU 12 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1b9r n GLU 12 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 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 -0.42 -1.72 -1.59 4.31 4.02 0.71 -4.68 117.16 117.79 1b9r n TYR 13 Ca 0.00 -2.76 -0.45 0.00 -0.01 0.00 0.00 57.90 54.68 1b9r n TYR 13 Cb 0.00 0.76 -0.02 0.00 -0.02 0.00 0.00 39.34 40.06 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 0.67 -0.21 -3.00 -0.72 0.00 -1.25 -0.54 120.51 115.46 1b9r n ALA 14 Ca 0.14 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1b9r n ALA 14 Cb 0.66 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 0.55 0.00 -3.64 0.00 3.14 0.70 -4.76 118.33 114.33 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 0.31 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.06 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 -0.37 0.03 6.55 1.11 -1.25 0.26 116.67 125.00 1b9r s ASP 16 Ca 0.00 -0.32 0.00 0.00 0.18 0.00 0.00 52.55 52.41 1b9r s ASP 16 Cb 0.00 0.61 -0.00 0.00 1.07 0.00 0.00 42.92 44.60 1b9r s ASP 16 CO 0.00 -1.07 0.03 0.00 1.18 0.00 0.00 175.17 175.31 1b9r n ALA 17 N -0.37 0.02 -3.73 5.23 0.00 -0.58 -4.67 120.51 116.41 1b9r n ALA 17 Ca -0.12 -0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 1b9r n ALA 17 Cb 0.63 0.12 -0.14 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.09 0.09 -0.47 0.00 -0.21 -1.26 0.28 119.66 116.00 1b9r s GLN 18 Ca 0.03 0.42 -0.30 0.00 0.02 0.00 0.00 55.36 55.53 1b9r s GLN 18 Cb 0.00 -0.19 -0.15 0.00 1.00 0.00 0.00 33.01 33.68 1b9r s GLN 18 CO 0.02 -0.19 1.70 -0.25 -2.12 0.00 0.00 175.29 174.45 1b9r n ASP 19 N 4.40 0.47 0.00 5.90 8.00 -1.26 -0.18 116.55 133.88 1b9r n ASP 19 Ca -0.23 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1b9r n ASP 19 Cb 0.51 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 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 5.38 0.91 3.60 0.44 0.00 0.57 -4.82 105.19 111.26 1b9r n GLY 20 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 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 2.69 0.69 1.61 -0.21 0.75 -4.68 119.66 120.51 1b9r s GLN 21 Ca 0.00 -0.61 -0.03 0.00 0.02 0.00 0.00 55.36 54.74 1b9r s GLN 21 Cb 0.00 -2.57 0.09 0.00 1.00 0.00 0.00 33.01 31.52 1b9r s GLN 21 CO 0.00 0.64 0.96 -1.54 -2.12 0.00 0.00 175.29 173.23 1b9r s SER 22 N -1.11 4.65 0.00 5.90 1.04 -1.21 0.18 113.70 123.15 1b9r s SER 22 Ca 0.15 0.03 0.07 0.00 0.48 0.00 0.00 55.95 56.68 1b9r s SER 22 Cb -0.11 -0.61 0.25 0.00 0.10 0.00 0.00 66.02 65.65 1b9r s SER 22 CO 0.05 -1.65 1.19 0.18 0.98 0.00 0.00 173.24 173.99 1b9r n LEU 23 N -2.80 0.93 -0.05 2.42 7.99 -1.20 -2.68 117.00 121.62 1b9r n LEU 23 Ca 0.11 -0.46 -0.02 0.00 -0.01 0.00 0.00 56.01 55.63 1b9r n LEU 23 Cb 0.60 -0.11 -0.13 0.00 -0.11 0.00 0.00 43.42 43.68 1b9r n LEU 23 CO 0.46 0.23 -0.90 1.15 -1.51 0.00 0.00 177.39 176.82 1b9r n MET 24 N -0.01 1.13 0.04 3.23 0.00 -1.25 -4.15 117.12 116.11 1b9r n MET 24 Ca 0.07 -0.06 -0.22 0.00 0.00 0.00 0.00 57.70 57.49 1b9r n MET 24 Cb 0.15 -1.40 -0.14 0.00 0.00 0.00 0.00 33.22 31.83 1b9r n MET 24 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1b9r h GLU 25 N 0.00 0.33 0.01 3.17 4.81 -1.86 -3.32 114.58 117.71 1b9r h GLU 25 Ca -0.28 -0.56 0.03 0.00 -0.13 0.00 0.00 59.36 58.42 1b9r h GLU 25 Cb 1.55 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 31.09 1b9r h GLU 25 CO 0.02 1.27 -0.38 0.28 -0.73 0.00 0.00 179.01 179.46 1b9r h VAL 26 N -0.05 0.21 0.00 0.32 2.07 -1.74 -2.67 116.25 114.40 1b9r h VAL 26 Ca -0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1b9r h VAL 26 Cb 1.97 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1b9r h VAL 26 CO 0.13 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1b9r n ALA 27 N -2.83 0.00 -0.32 1.67 0.00 -1.25 0.32 120.51 118.09 1b9r n ALA 27 Ca -0.06 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.71 1b9r n ALA 27 Cb 0.36 0.16 0.70 0.00 0.00 0.00 0.00 19.45 20.67 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 0.01 0.00 1.35 -1.62 1.84 112.91 114.92 1b9r h THR 28 Ca 0.00 -0.03 -0.20 0.00 -0.55 0.00 0.00 66.41 65.63 1b9r h THR 28 Cb 0.00 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1b9r h THR 28 CO 0.00 0.01 -0.91 1.56 -0.25 0.00 0.00 175.52 175.94 1b9r h GLN 29 N 0.08 0.17 -0.22 4.72 1.08 0.56 -3.01 115.11 118.49 1b9r h GLN 29 Ca 0.57 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1b9r h GLN 29 Cb 2.12 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.61 1b9r h GLN 29 CO -0.07 0.96 0.00 0.09 -0.95 0.00 0.00 178.83 178.86 1b9r n ASN 30 N -3.62 1.58 -0.40 1.46 3.02 0.59 -4.87 115.26 113.01 1b9r n ASN 30 Ca -0.03 -1.81 -0.05 0.00 -0.03 0.00 0.00 54.58 52.65 1b9r n ASN 30 Cb 0.83 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.83 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 1.06 0.75 3.77 7.41 0.00 0.11 -4.98 105.19 113.31 1b9r n GLY 31 Ca 0.14 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.02 3.21 0.00 1.61 1.01 0.42 -4.94 120.40 119.69 1b9r s VAL 32 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1b9r s VAL 32 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1b9r s VAL 32 CO 0.00 0.13 0.00 -0.81 0.00 0.00 0.00 175.10 174.42 1b9r n PRO 33 N 0.31 1.87 -1.27 2.72 -0.04 -1.26 -3.75 135.00 133.59 1b9r n PRO 33 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1b9r n PRO 33 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.00 -0.10 2.68 0.55 0.00 -1.26 -4.69 105.19 102.37 1b9r n GLY 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.27 0.00 -0.50 -0.61 5.41 -1.25 -4.50 119.36 116.65 1b9r n ILE 35 Ca 0.00 -0.45 -0.20 0.00 1.00 0.00 0.00 62.75 63.11 1b9r n ILE 35 Cb 0.10 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.00 1b9r n ILE 35 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1b9r n VAL 36 N -2.18 0.00 0.00 1.39 3.14 -1.26 -4.93 118.33 114.49 1b9r n VAL 36 Ca -0.01 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1b9r n VAL 36 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 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 0.50 0.00 0.19 1.55 0.00 -1.26 -4.90 120.51 116.59 1b9r n ALA 37 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1b9r n ALA 37 Cb 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 1b9r n ALA 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1b9r h GLU 38 N 0.00 -0.50 -0.54 0.00 4.11 -1.97 -3.22 114.58 112.46 1b9r h GLU 38 Ca 0.00 0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.42 1b9r h GLU 38 Cb 0.00 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1b9r h GLU 38 CO 0.00 -0.19 0.18 0.00 0.07 0.00 0.00 179.01 179.07 1b9r n GLY 40 N -0.97 -0.14 0.27 0.00 0.00 -1.22 -2.89 105.19 100.23 1b9r n GLY 40 Ca 0.04 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.41 1.04 0.00 -0.02 0.00 -1.26 -4.96 105.19 99.58 1b9r n GLY 41 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.27 0.47 -3.09 1.61 2.88 -1.14 -5.00 113.62 109.62 1b9r n SER 42 Ca 0.00 -1.09 -0.18 0.00 -1.33 0.00 0.00 58.87 56.26 1b9r n SER 42 Cb 0.01 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.44 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 -2.73 0.00 -3.26 0.00 0.31 -1.26 -4.98 118.33 106.42 1b9r n VAL 44 Ca 0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1b9r n VAL 44 Cb 0.38 1.01 0.00 0.00 -0.91 0.00 0.00 33.84 34.32 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 -3.00 2.26 1.31 0.00 0.00 -1.26 -4.91 120.51 114.92 1b9r n ALA 46 Ca 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 53.44 53.30 1b9r n ALA 46 Cb 0.00 -0.10 0.35 0.00 0.00 0.00 0.00 19.45 19.70 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 0.01 0.21 -1.12 0.00 -2.24 -1.26 -4.11 114.28 105.77 1b9r n THR 47 Ca -0.04 -0.30 -0.26 0.00 -2.27 0.00 0.00 64.05 61.18 1b9r n THR 47 Cb 0.56 0.24 0.06 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.27 1.36 -3.82 0.00 0.63 -1.26 -4.29 116.66 109.01 1b9r n ARG 49 Ca 0.46 0.41 -0.11 0.00 -0.92 0.00 0.00 57.85 57.69 1b9r n ARG 49 Cb 0.61 -2.54 -0.09 0.00 0.45 0.00 0.00 32.46 30.90 1b9r n ARG 49 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1b9r s ILE 50 N 6.56 0.09 -0.02 5.15 1.09 -1.26 -4.91 121.20 127.90 1b9r s ILE 50 Ca 1.05 -0.76 -0.01 0.00 -1.10 0.00 0.00 60.65 59.84 1b9r s ILE 50 Cb -0.79 -0.77 0.02 0.00 -1.06 0.00 0.00 42.46 39.85 1b9r s ILE 50 CO 0.50 -0.42 0.04 -1.61 -0.10 0.00 0.00 174.94 173.35 1b9r s GLU 51 N -2.12 0.00 0.50 2.79 8.01 0.31 -3.23 118.70 124.96 1b9r s GLU 51 Ca -0.08 0.15 -0.21 0.00 0.01 0.00 0.00 54.97 54.83 1b9r s GLU 51 Cb -0.03 -0.14 -0.07 0.00 -4.31 0.00 0.00 34.13 29.59 1b9r s GLU 51 CO -0.01 -0.10 1.17 0.42 0.01 0.00 0.00 175.26 176.74 1b9r s ILE 52 N 0.67 3.05 0.99 -1.63 -1.09 -0.64 0.32 121.20 122.87 1b9r s ILE 52 Ca -0.05 0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 58.98 1b9r s ILE 52 Cb -0.08 -3.35 0.13 0.00 -1.58 0.00 0.00 42.46 37.58 1b9r s ILE 52 CO -0.02 -0.06 0.75 -1.84 -1.23 0.00 0.00 174.94 172.54 1b9r n GLU 53 N -0.84 -0.81 0.00 2.79 -0.00 0.66 -4.60 120.64 117.84 1b9r n GLU 53 Ca 0.09 -0.19 0.00 0.00 -0.00 0.00 0.00 57.16 57.06 1b9r n GLU 53 Cb 0.49 -2.10 0.00 0.00 -0.00 0.00 0.00 31.44 29.83 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 -3.08 1.11 -0.02 -1.84 8.00 -1.26 -2.74 116.55 116.72 1b9r n ASP 54 Ca 0.08 -1.90 -0.01 0.00 0.71 0.00 0.00 54.79 53.67 1b9r n ASP 54 Cb 0.54 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.06 2.01 0.18 2.24 0.00 -1.26 -4.67 120.51 119.08 1b9r n ALA 55 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 53.44 53.14 1b9r n ALA 55 Cb 0.26 -0.05 0.11 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.07 0.26 -0.10 0.00 7.02 -1.11 -4.46 117.44 116.97 1b9r n TRP 56 Ca -0.08 -0.24 -0.05 0.00 -1.02 0.00 0.00 57.50 56.11 1b9r n TRP 56 Cb 0.53 -0.01 0.14 0.00 -2.42 0.00 0.00 31.31 29.54 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 2.44 1.25 -0.00 -0.99 2.07 -1.82 3.71 116.25 122.91 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 0.65 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1b9r h VAL 57 CO 0.00 0.38 -0.01 -0.62 0.02 0.00 0.00 177.57 177.34 1b9r n GLU 58 N -4.18 0.71 -0.08 1.57 1.02 -1.26 -1.13 120.64 117.28 1b9r n GLU 58 Ca 0.02 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.01 1b9r n GLU 58 Cb 0.35 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.10 0.97 -0.07 -3.67 5.41 0.60 -4.77 119.36 116.73 1b9r n ILE 59 Ca 0.18 -0.48 -0.06 0.00 1.00 0.00 0.00 62.75 63.38 1b9r n ILE 59 Cb 0.20 -0.88 -0.03 0.00 -0.71 0.00 0.00 39.64 38.22 1b9r n ILE 59 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1b9r h VAL 60 N 0.00 0.18 -6.21 1.39 2.07 0.69 -3.40 116.25 110.97 1b9r h VAL 60 Ca -0.38 -1.20 -0.32 0.00 0.82 0.00 0.00 66.70 65.61 1b9r h VAL 60 Cb 1.73 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1b9r h VAL 60 CO -0.02 0.06 -0.71 0.61 0.02 0.00 0.00 177.57 177.54 1b9r n GLY 61 N 1.62 -1.22 0.00 2.17 0.00 -0.29 -4.93 105.19 102.54 1b9r n GLY 61 Ca -0.09 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1b9r n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b9r n GLU 62 N -2.68 0.00 -1.27 1.61 1.02 -1.26 -4.92 120.64 113.14 1b9r n GLU 62 Ca -0.17 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.83 1b9r n GLU 62 Cb 0.61 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.12 1b9r n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b9r n ALA 63 N -3.00 -0.42 -1.99 0.62 0.00 -1.26 -4.97 120.51 109.49 1b9r n ALA 63 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 53.44 52.23 1b9r n ALA 63 Cb 0.00 0.05 0.13 0.00 0.00 0.00 0.00 19.45 19.63 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 -3.37 4.03 0.00 0.00 6.03 -1.26 -4.95 114.94 115.42 1b9r s ASN 64 Ca 0.38 -0.39 0.11 0.00 -1.03 0.00 0.00 52.86 51.93 1b9r s ASN 64 Cb -0.01 0.14 0.63 0.00 -3.03 0.00 0.00 41.25 38.97 1b9r s ASN 64 CO 0.26 -2.09 1.11 -2.65 -2.03 0.00 0.00 177.10 171.70 1b9r n PRO 65 N -3.01 0.31 -0.09 3.55 -0.02 -1.26 -2.87 135.00 131.61 1b9r n PRO 65 Ca 0.16 0.03 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 1b9r n PRO 65 Cb 0.61 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.51 1b9r n PRO 65 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b9r h ASP 66 N 0.00 0.00 -0.04 2.55 5.19 -1.98 -1.22 116.42 120.93 1b9r h ASP 66 Ca 0.00 -0.36 0.01 0.00 -0.62 0.00 0.00 57.03 56.06 1b9r h ASP 66 Cb 0.02 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 1b9r h ASP 66 CO 0.00 1.20 0.04 -0.33 -3.12 0.00 0.00 179.24 177.03 1b9r h GLU 67 N -1.00 0.00 0.00 3.56 4.39 -1.91 0.08 114.58 119.71 1b9r h GLU 67 Ca -0.21 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.23 1b9r h GLU 67 Cb 0.99 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.59 1b9r h GLU 67 CO -0.13 0.00 -1.62 -0.97 -1.16 0.00 0.00 179.01 175.14 1b9r h ASN 68 N 0.00 0.00 -0.43 1.42 -0.00 -1.67 -3.37 115.58 111.53 1b9r h ASN 68 Ca 0.02 0.00 0.07 0.00 -0.00 0.00 0.00 56.30 56.39 1b9r h ASN 68 Cb 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.36 1b9r h ASN 68 CO -0.00 0.89 0.07 -0.78 -0.00 0.00 0.00 177.43 177.61 1b9r h ASP 69 N 0.00 -0.03 -1.00 1.15 1.82 0.30 0.74 116.42 119.41 1b9r h ASP 69 Ca -0.25 0.08 0.20 0.00 -0.39 0.00 0.00 57.03 56.67 1b9r h ASP 69 Cb 1.90 0.12 -0.10 0.00 0.68 0.00 0.00 39.33 41.92 1b9r h ASP 69 CO 0.07 0.02 0.61 0.17 -1.61 0.00 0.00 179.24 178.50 1b9r h LEU 70 N 0.19 0.73 -0.19 2.28 8.10 -1.67 0.73 115.31 125.48 1b9r h LEU 70 Ca 0.21 0.09 -0.19 0.00 0.11 0.00 0.00 57.88 58.10 1b9r h LEU 70 Cb 0.28 -0.04 0.01 0.00 -0.44 0.00 0.00 40.66 40.46 1b9r h LEU 70 CO -0.29 0.25 -0.63 -0.07 -4.11 0.00 0.00 178.44 173.58 1b9r h LEU 71 N 0.70 0.88 -1.03 0.17 3.38 -1.23 -3.20 115.31 114.98 1b9r h LEU 71 Ca 0.57 -0.60 0.12 0.00 0.09 0.00 0.00 57.88 58.06 1b9r h LEU 71 Cb 0.97 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 1b9r h LEU 71 CO -0.36 1.32 0.63 1.56 0.09 0.00 0.00 178.44 181.68 1b9r h GLN 72 N 0.48 0.96 -0.23 1.13 1.08 0.13 0.16 115.11 118.82 1b9r h GLN 72 Ca -0.03 -0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1b9r h GLN 72 Cb 1.26 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.46 1b9r h GLN 72 CO 0.13 0.64 0.21 0.66 -0.95 0.00 0.00 178.83 179.53 1b9r h SER 73 N 0.99 0.00 -0.51 1.46 4.64 -1.26 -2.42 113.55 116.45 1b9r h SER 73 Ca 0.49 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.91 1b9r h SER 73 Cb 0.47 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.47 1b9r h SER 73 CO -0.25 0.00 -0.10 0.71 -0.87 0.00 0.00 176.83 176.32 1b9r h THR 74 N 0.00 0.50 0.00 2.95 1.35 -1.07 -3.46 112.91 113.18 1b9r h THR 74 Ca 0.11 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1b9r h THR 74 Cb 0.54 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1b9r h THR 74 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1b9r n GLY 75 N -1.36 0.89 3.51 5.82 0.00 -0.91 -5.09 105.19 108.04 1b9r n GLY 75 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 3.75 0.00 1.61 2.02 -1.26 -5.11 118.70 119.72 1b9r s GLU 76 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1b9r s GLU 76 Cb 0.00 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1b9r s GLU 76 CO 0.00 0.02 0.00 -0.35 0.02 0.00 0.00 175.26 174.95 1b9r n PRO 77 N 4.29 -1.17 -1.30 0.39 -0.04 -1.26 -4.83 135.00 131.08 1b9r n PRO 77 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1b9r n PRO 77 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1b9r n PRO 77 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1b9r n MET 78 N -1.53 2.03 -0.09 0.54 2.81 -1.26 -4.98 117.12 114.64 1b9r n MET 78 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1b9r n MET 78 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1b9r n MET 78 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1b9r n THR 79 N 0.00 0.00 -2.86 2.03 -2.24 -1.26 -5.04 114.28 104.91 1b9r n THR 79 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1b9r n THR 79 Cb 0.00 -0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 67.50 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 -2.00 3.24 -0.17 6.98 0.00 -1.26 -3.44 121.76 125.11 1b9r s ALA 80 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1b9r s ALA 80 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1b9r s ALA 80 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1b9r n GLY 81 N 2.94 0.49 3.68 0.00 0.00 -1.26 -4.66 105.19 106.37 1b9r n GLY 81 Ca 0.03 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.87 4.50 -0.14 2.61 2.01 -1.22 -1.62 115.64 119.92 1b9r s THR 82 Ca 0.00 1.80 -0.31 0.00 0.31 0.00 0.00 61.69 63.49 1b9r s THR 82 Cb 0.00 -4.16 0.13 0.00 0.01 0.00 0.00 72.50 68.48 1b9r s THR 82 CO 0.00 -0.06 1.05 -0.13 -0.69 0.00 0.00 174.62 174.79 1b9r s ARG 83 N 2.62 0.53 -0.05 4.92 0.52 -1.20 -4.92 118.95 121.37 1b9r s ARG 83 Ca 0.51 -0.05 -0.39 0.00 -0.52 0.00 0.00 55.73 55.28 1b9r s ARG 83 Cb -0.20 0.25 -0.17 0.00 0.52 0.00 0.00 34.95 35.34 1b9r s ARG 83 CO 0.16 -0.20 1.38 1.28 0.02 0.00 0.00 175.30 177.94 1b9r n LEU 84 N 0.25 1.39 -0.01 2.53 4.77 -1.26 -4.51 117.00 120.15 1b9r n LEU 84 Ca -0.06 1.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.93 1b9r n LEU 84 Cb 0.59 -1.10 -0.14 0.00 -2.33 0.00 0.00 43.42 40.44 1b9r n LEU 84 CO 0.12 -1.10 -0.56 -1.28 -1.33 0.00 0.00 177.39 173.24 1b9r h SER 85 N 4.76 0.10 -0.22 -1.43 0.87 -1.84 -3.35 113.55 112.46 1b9r h SER 85 Ca -0.48 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 59.83 1b9r h SER 85 Cb 1.36 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.26 1b9r h SER 85 CO 0.80 1.20 0.04 0.00 -0.53 0.00 0.00 176.83 178.34 1b9r n GLN 87 N 0.16 4.24 -4.26 0.00 1.13 -1.25 -4.77 117.38 112.62 1b9r n GLN 87 Ca 0.11 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.94 1b9r n GLN 87 Cb 0.63 -0.38 -0.07 0.00 0.11 0.00 0.00 30.24 30.52 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 -0.72 3.46 -0.07 5.09 1.01 -1.22 -4.88 120.40 123.07 1b9r s VAL 88 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.02 1b9r s VAL 88 Cb 0.00 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1b9r s VAL 88 CO 0.00 -0.35 0.27 -0.36 0.00 0.00 0.00 175.10 174.66 1b9r s PHE 89 N -2.33 -0.22 1.01 5.22 0.40 -1.26 -3.30 117.98 117.50 1b9r s PHE 89 Ca 0.32 0.50 -0.18 0.00 -0.60 0.00 0.00 56.93 56.97 1b9r s PHE 89 Cb -0.06 0.08 -0.03 0.00 0.51 0.00 0.00 43.02 43.52 1b9r s PHE 89 CO 0.21 -0.24 -0.32 -0.89 0.70 0.00 0.00 175.22 174.68 1b9r n ILE 90 N 2.26 0.00 -3.57 0.64 2.08 0.46 -4.50 119.36 116.74 1b9r n ILE 90 Ca -0.17 -0.27 0.03 0.00 0.56 0.00 0.00 62.75 62.91 1b9r n ILE 90 Cb 0.57 -0.36 -0.00 0.00 -0.75 0.00 0.00 39.64 39.10 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 -1.55 -0.01 0.00 4.38 1.47 -1.26 -0.32 116.67 119.38 1b9r s ASP 91 Ca 0.49 -0.02 -0.01 0.00 1.18 0.00 0.00 52.55 54.19 1b9r s ASP 91 Cb -0.13 0.03 -0.05 0.00 -0.34 0.00 0.00 42.92 42.43 1b9r s ASP 91 CO 0.71 -0.05 1.11 -2.65 0.68 0.00 0.00 175.17 174.97 1b9r n PRO 92 N -0.44 0.49 0.00 2.11 -0.02 -1.26 -1.23 135.00 134.65 1b9r n PRO 92 Ca -0.08 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 1b9r n PRO 92 Cb 0.63 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 2.43 0.00 -2.40 2.55 3.41 -1.26 -4.88 113.62 113.47 1b9r n SER 93 Ca 0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.39 1b9r n SER 93 Cb 0.23 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.20 3.23 -3.13 4.33 2.81 -0.36 -4.75 117.12 118.05 1b9r n MET 94 Ca 0.00 -4.01 -0.40 0.00 -1.81 0.00 0.00 57.70 51.48 1b9r n MET 94 Cb 0.00 -2.27 -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 -2.81 6.74 -0.42 7.83 1.01 -1.24 -3.22 116.67 124.56 1b9r s ASP 95 Ca 0.53 0.89 0.00 0.00 0.71 0.00 0.00 52.55 54.68 1b9r s ASP 95 Cb 0.43 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 42.01 1b9r s ASP 95 CO -0.13 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.64 1b9r n GLY 96 N 3.60 0.23 3.79 0.21 0.00 0.60 -4.72 105.19 108.90 1b9r n GLY 96 Ca -0.02 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.36 3.87 -0.16 0.99 0.05 -0.37 -4.63 118.68 117.07 1b9r s LEU 97 Ca 0.00 2.05 -0.01 0.00 0.05 0.00 0.00 54.13 56.22 1b9r s LEU 97 Cb 0.00 -4.49 -0.01 0.00 -2.05 0.00 0.00 46.19 39.64 1b9r s LEU 97 CO 0.00 -0.89 -0.12 -0.63 -0.55 0.00 0.00 176.35 174.16 1b9r s ILE 98 N -1.84 2.99 0.62 1.48 1.09 -1.26 0.70 121.20 124.98 1b9r s ILE 98 Ca 0.67 -0.66 0.08 0.00 -1.10 0.00 0.00 60.65 59.64 1b9r s ILE 98 Cb -0.20 -2.28 0.11 0.00 -1.06 0.00 0.00 42.46 39.02 1b9r s ILE 98 CO 0.24 0.50 0.86 -0.69 -0.10 0.00 0.00 174.94 175.75 1b9r s VAL 99 N 0.74 2.04 -0.21 2.92 1.01 1.25 0.24 120.40 128.39 1b9r s VAL 99 Ca -0.05 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 1b9r s VAL 99 Cb -0.15 -2.11 0.10 0.00 0.00 0.00 0.00 36.38 34.21 1b9r s VAL 99 CO 0.01 0.00 0.86 -0.13 0.00 0.00 0.00 175.10 175.84 1b9r s ARG 100 N -4.80 0.74 -0.43 2.72 1.81 0.94 -3.75 118.95 116.19 1b9r s ARG 100 Ca 0.64 0.56 0.04 0.00 -1.72 0.00 0.00 55.73 55.25 1b9r s ARG 100 Cb -0.05 0.36 0.18 0.00 -0.45 0.00 0.00 34.95 34.98 1b9r s ARG 100 CO 0.41 -0.15 0.37 0.28 -0.68 0.00 0.00 175.30 175.52 1b9r n VAL 101 N 1.80 -1.00 -1.53 3.52 0.31 -1.12 0.11 118.33 120.42 1b9r n VAL 101 Ca -0.14 -3.56 -0.26 0.00 -0.01 0.00 0.00 64.34 60.36 1b9r n VAL 101 Cb 0.56 -1.71 0.20 0.00 -0.91 0.00 0.00 33.84 31.98 1b9r n VAL 101 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1b9r n PRO 102 N 2.66 -1.76 -2.68 5.55 -0.04 -1.26 -3.52 135.00 133.95 1b9r n PRO 102 Ca 0.29 -1.73 -0.42 0.00 -0.04 0.00 0.00 63.50 61.59 1b9r n PRO 102 Cb 0.48 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 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 4.24 -0.67 1.53 1.43 -1.26 -4.93 118.68 119.02 1b9r s LEU 103 Ca 0.66 1.53 -0.26 0.00 -1.03 0.00 0.00 54.13 55.03 1b9r s LEU 103 Cb -0.03 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.50 1b9r s LEU 103 CO 0.47 -0.46 2.47 -2.65 0.23 0.00 0.00 176.35 176.42 1b9r n PRO 104 N 5.05 0.69 0.00 1.29 -0.02 -1.26 -5.13 135.00 135.61 1b9r n PRO 104 Ca 0.09 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1b9r n PRO 104 Cb 0.49 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1b9r n PRO 104 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48