#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 0.18 -0.52 3.52 -1.26 -1.87 118.95 121.01 1b9r s ARG 2 Ca 0.00 -1.80 -0.23 0.00 -0.13 0.00 0.00 55.73 53.57 1b9r s ARG 2 Cb 0.00 -1.87 0.05 0.00 -1.56 0.00 0.00 34.95 31.58 1b9r s ARG 2 CO 0.00 0.14 0.73 0.08 -0.81 0.00 0.00 175.30 175.44 1b9r s VAL 3 N -2.54 0.00 -0.23 7.11 1.01 0.76 0.26 120.40 126.77 1b9r s VAL 3 Ca 0.34 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1b9r s VAL 3 Cb 0.01 -1.52 0.12 0.00 0.00 0.00 0.00 36.38 34.99 1b9r s VAL 3 CO 0.19 0.00 0.34 -0.69 0.00 0.00 0.00 175.10 174.93 1b9r s VAL 4 N -3.67 -0.53 0.70 2.92 1.01 0.23 0.24 120.40 121.29 1b9r s VAL 4 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1b9r s VAL 4 Cb -0.03 -0.78 0.10 0.00 0.00 0.00 0.00 36.38 35.67 1b9r s VAL 4 CO -0.03 -0.14 0.98 -0.36 0.00 0.00 0.00 175.10 175.55 1b9r s PHE 5 N 2.49 2.23 0.16 5.22 0.40 -0.64 0.37 117.98 128.21 1b9r s PHE 5 Ca 0.11 0.03 -0.14 0.00 -0.60 0.00 0.00 56.93 56.34 1b9r s PHE 5 Cb -0.15 -3.11 0.02 0.00 0.51 0.00 0.00 43.02 40.28 1b9r s PHE 5 CO -0.15 -1.54 0.39 0.42 0.70 0.00 0.00 175.22 175.04 1b9r s ILE 6 N -3.16 0.06 0.00 0.64 -1.09 0.78 0.02 121.20 118.44 1b9r s ILE 6 Ca 0.63 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1b9r s ILE 6 Cb -0.08 -1.54 0.00 0.00 -1.58 0.00 0.00 42.46 39.26 1b9r s ILE 6 CO 0.44 -0.28 0.00 -0.67 -1.23 0.00 0.00 174.94 173.20 1b9r n ASP 7 N -0.25 0.00 -0.34 3.58 -0.08 -1.26 -1.04 116.55 117.17 1b9r n ASP 7 Ca -0.11 -0.68 0.06 0.00 -1.51 0.00 0.00 54.79 52.55 1b9r n ASP 7 Cb 0.63 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.11 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 1.47 0.01 -0.67 4.07 -1.26 -2.79 120.64 121.47 1b9r n GLU 8 Ca 0.00 -0.86 -0.20 0.00 -0.06 0.00 0.00 57.16 56.04 1b9r n GLU 8 Cb 0.00 -1.16 -0.14 0.00 -0.06 0.00 0.00 31.44 30.08 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 1.66 0.26 0.00 5.31 4.20 -1.97 -3.41 115.11 121.16 1b9r h GLN 9 Ca 0.00 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1b9r h GLN 9 Cb 0.42 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1b9r h GLN 9 CO 0.00 1.17 0.00 0.45 -0.67 0.00 0.00 178.83 179.78 1b9r n SER 10 N -3.46 0.46 -1.40 1.46 2.88 -1.26 -5.00 113.62 107.30 1b9r n SER 10 Ca -0.30 -0.86 -0.18 0.00 -1.33 0.00 0.00 58.87 56.20 1b9r n SER 10 Cb 1.05 0.12 -0.08 0.00 -0.75 0.00 0.00 64.21 64.55 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 0.12 1.75 0.00 0.46 0.00 -1.12 -4.86 105.19 101.54 1b9r n GLY 11 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.04 0.00 -2.93 1.61 2.13 -1.26 -4.55 120.64 113.59 1b9r n GLU 12 Ca -0.18 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.51 1b9r n GLU 12 Cb 0.65 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.39 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 -0.51 -0.68 -1.51 4.31 4.02 0.10 -4.77 117.16 118.12 1b9r n TYR 13 Ca 0.00 -3.03 -0.43 0.00 -0.01 0.00 0.00 57.90 54.43 1b9r n TYR 13 Cb 0.00 0.30 -0.00 0.00 -0.02 0.00 0.00 39.34 39.62 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 0.16 -1.07 -3.00 -0.72 0.00 -1.25 -1.62 120.51 113.00 1b9r n ALA 14 Ca 0.15 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1b9r n ALA 14 Cb 0.72 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.42 0.00 -3.71 0.00 3.14 0.66 -4.76 118.33 113.23 1b9r n VAL 15 Ca 0.11 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.40 1b9r n VAL 15 Cb 0.36 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.10 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 -0.29 0.15 6.55 1.01 -1.25 0.27 116.67 125.11 1b9r s ASP 16 Ca 0.00 -0.44 0.01 0.00 0.71 0.00 0.00 52.55 52.83 1b9r s ASP 16 Cb 0.00 0.59 -0.00 0.00 1.01 0.00 0.00 42.92 44.52 1b9r s ASP 16 CO 0.00 -1.07 0.17 0.00 0.21 0.00 0.00 175.17 174.48 1b9r n ALA 17 N -0.35 0.09 -3.04 5.23 0.00 -0.78 -4.67 120.51 116.99 1b9r n ALA 17 Ca -0.10 -0.80 -0.15 0.00 0.00 0.00 0.00 53.44 52.38 1b9r n ALA 17 Cb 0.62 0.65 -0.15 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.49 0.28 -0.57 0.00 -1.52 -1.26 0.27 119.66 114.37 1b9r s GLN 18 Ca 0.16 -0.07 -0.38 0.00 -1.95 0.00 0.00 55.36 53.12 1b9r s GLN 18 Cb 0.00 -0.32 -0.17 0.00 -0.22 0.00 0.00 33.01 32.30 1b9r s GLN 18 CO 0.11 0.02 2.28 -0.25 -0.25 0.00 0.00 175.29 177.20 1b9r n ASP 19 N 3.30 1.03 0.00 5.90 8.00 -1.26 -0.22 116.55 133.31 1b9r n ASP 19 Ca -0.16 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1b9r n ASP 19 Cb 0.57 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 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 7.01 0.89 3.53 0.44 0.00 0.22 -4.81 105.19 112.46 1b9r n GLY 20 Ca 0.53 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 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 1.90 0.53 1.61 -0.21 0.70 -4.63 119.66 119.56 1b9r s GLN 21 Ca 0.00 -1.28 0.09 0.00 0.02 0.00 0.00 55.36 54.19 1b9r s GLN 21 Cb 0.00 -2.10 0.06 0.00 1.00 0.00 0.00 33.01 31.97 1b9r s GLN 21 CO 0.00 0.44 0.68 -1.54 -2.12 0.00 0.00 175.29 172.75 1b9r s SER 22 N -2.61 5.17 0.00 5.90 1.04 -1.18 0.28 113.70 122.30 1b9r s SER 22 Ca 0.22 -0.80 0.17 0.00 0.48 0.00 0.00 55.95 56.03 1b9r s SER 22 Cb -0.09 0.06 0.99 0.00 0.10 0.00 0.00 66.02 67.08 1b9r s SER 22 CO 0.13 -1.16 1.65 0.18 0.98 0.00 0.00 173.24 175.02 1b9r n LEU 23 N -2.07 0.15 -0.04 2.42 7.99 -1.22 -2.67 117.00 121.56 1b9r n LEU 23 Ca 0.12 -0.06 -0.15 0.00 -0.01 0.00 0.00 56.01 55.90 1b9r n LEU 23 Cb 0.61 -0.01 -0.14 0.00 -0.11 0.00 0.00 43.42 43.77 1b9r n LEU 23 CO 0.40 0.03 -0.85 0.80 -1.51 0.00 0.00 177.39 176.26 1b9r n MET 24 N -0.67 0.69 0.10 3.23 1.56 -1.10 -3.92 117.12 117.01 1b9r n MET 24 Ca 0.13 0.22 -0.23 0.00 -0.27 0.00 0.00 57.70 57.55 1b9r n MET 24 Cb 0.08 -1.68 -0.15 0.00 2.15 0.00 0.00 33.22 33.62 1b9r n MET 24 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 1b9r h GLU 25 N 0.03 0.45 -0.12 2.12 -0.00 -1.81 -3.33 114.58 111.91 1b9r h GLU 25 Ca -0.42 -0.77 0.04 0.00 -0.00 0.00 0.00 59.36 58.21 1b9r h GLU 25 Cb 2.04 0.29 -0.06 0.00 -0.00 0.00 0.00 28.75 31.01 1b9r h GLU 25 CO 0.05 1.36 -0.48 0.28 -0.00 0.00 0.00 179.01 180.23 1b9r h VAL 26 N 0.12 0.08 0.00 -1.06 2.07 -1.70 -2.57 116.25 113.18 1b9r h VAL 26 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1b9r h VAL 26 Cb 2.13 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1b9r h VAL 26 CO 0.22 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1b9r n ALA 27 N -2.96 0.00 -0.31 1.67 0.00 -1.25 0.31 120.51 117.97 1b9r n ALA 27 Ca -0.05 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.70 1b9r n ALA 27 Cb 0.37 0.18 0.68 0.00 0.00 0.00 0.00 19.45 20.69 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 0.45 0.01 0.00 1.35 -1.62 1.07 112.91 114.16 1b9r h THR 28 Ca 0.00 -0.04 -0.20 0.00 -0.55 0.00 0.00 66.41 65.62 1b9r h THR 28 Cb 0.00 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 66.73 1b9r h THR 28 CO 0.00 0.02 -0.91 1.56 -0.25 0.00 0.00 175.52 175.94 1b9r h GLN 29 N 0.11 0.15 -0.16 4.72 1.08 0.53 -3.13 115.11 118.42 1b9r h GLN 29 Ca 0.56 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1b9r h GLN 29 Cb 2.00 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.49 1b9r h GLN 29 CO -0.10 0.96 0.00 0.09 -0.95 0.00 0.00 178.83 178.83 1b9r n ASN 30 N -3.60 1.42 0.00 1.46 3.02 0.35 -4.87 115.26 113.04 1b9r n ASN 30 Ca -0.03 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 1b9r n ASN 30 Cb 0.84 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 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 2.02 3.33 7.41 0.00 0.15 -4.98 105.19 114.17 1b9r n GLY 31 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 0.00 1.61 1.61 0.31 0.08 -4.83 118.33 115.11 1b9r n VAL 32 Ca 0.00 -0.25 0.03 0.00 -0.01 0.00 0.00 64.34 64.11 1b9r n VAL 32 Cb 0.00 -0.49 0.20 0.00 -0.91 0.00 0.00 33.84 32.64 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 -0.82 0.80 -2.24 5.55 -0.02 -1.26 -4.26 135.00 132.75 1b9r n PRO 33 Ca 0.05 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.45 1b9r n PRO 33 Cb 0.54 -1.13 -0.01 0.00 -0.02 0.00 0.00 33.50 32.88 1b9r n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b9r n GLY 34 N 0.38 -0.29 4.74 -1.23 0.00 -1.26 -4.38 105.19 103.15 1b9r n GLY 34 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.90 0.00 -3.58 -0.61 -0.00 -1.26 -4.20 119.36 107.81 1b9r n ILE 35 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.77 1b9r n ILE 35 Cb 0.30 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 39.88 1b9r n ILE 35 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 1b9r s VAL 36 N 0.00 -0.11 -0.32 1.39 -7.23 -1.26 -5.09 120.40 107.78 1b9r s VAL 36 Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.12 1b9r s VAL 36 Cb 0.00 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.98 1b9r s VAL 36 CO 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 174.85 1b9r s ALA 37 N 1.55 2.95 -0.07 1.32 0.00 -1.26 -3.37 121.76 122.89 1b9r s ALA 37 Ca -0.07 -1.73 -0.06 0.00 0.00 0.00 0.00 51.96 50.09 1b9r s ALA 37 Cb -0.04 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1b9r s ALA 37 CO -0.15 -1.29 -0.12 -1.91 0.00 0.00 0.00 175.76 172.30 1b9r n GLU 38 N 4.74 0.22 -0.17 0.00 4.07 -1.26 -4.55 120.64 123.69 1b9r n GLU 38 Ca -0.13 0.22 0.04 0.00 -0.06 0.00 0.00 57.16 57.23 1b9r n GLU 38 Cb 0.44 -1.03 0.32 0.00 -0.06 0.00 0.00 31.44 31.12 1b9r n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1b9r n GLY 40 N -1.44 1.26 0.99 0.00 0.00 -1.26 -4.46 105.19 100.27 1b9r n GLY 40 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.15 0.64 0.80 -0.02 0.00 -1.26 -4.99 105.19 99.21 1b9r n GLY 41 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.58 1b9r n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b9r n SER 42 N -0.07 0.42 -3.97 1.61 3.41 -1.26 -5.03 113.62 108.73 1b9r n SER 42 Ca 0.00 -2.07 -0.39 0.00 -0.26 0.00 0.00 58.87 56.15 1b9r n SER 42 Cb 0.42 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 64.14 1b9r n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b9r n VAL 44 N -4.24 0.09 -4.09 0.00 0.31 -1.26 -5.10 118.33 104.04 1b9r n VAL 44 Ca -0.18 -0.16 -0.06 0.00 -0.01 0.00 0.00 64.34 63.93 1b9r n VAL 44 Cb 0.61 1.41 -0.03 0.00 -0.91 0.00 0.00 33.84 34.92 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 -2.25 2.05 0.24 0.00 0.00 -1.26 -4.86 120.51 114.43 1b9r n ALA 46 Ca -0.04 -0.74 0.12 0.00 0.00 0.00 0.00 53.44 52.78 1b9r n ALA 46 Cb 0.20 -0.35 0.17 0.00 0.00 0.00 0.00 19.45 19.46 1b9r n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b9r h THR 47 N 6.35 0.00 0.00 0.00 1.03 -1.98 -3.35 112.91 114.96 1b9r h THR 47 Ca -0.02 -0.95 -0.30 0.00 -0.01 0.00 0.00 66.41 65.13 1b9r h THR 47 Cb 1.30 1.89 -0.05 0.00 -1.07 0.00 0.00 68.15 70.22 1b9r h THR 47 CO -0.00 0.00 0.56 0.00 -0.01 0.00 0.00 175.52 176.07 1b9r s ARG 49 N 1.27 2.72 0.42 0.00 3.52 -1.26 -2.67 118.95 122.96 1b9r s ARG 49 Ca 0.67 0.15 0.07 0.00 -0.13 0.00 0.00 55.73 56.49 1b9r s ARG 49 Cb 0.29 -4.62 -0.06 0.00 -1.56 0.00 0.00 34.95 29.00 1b9r s ARG 49 CO -0.01 -2.83 0.14 -1.50 -0.81 0.00 0.00 175.30 170.29 1b9r s ILE 50 N 8.76 2.19 -0.18 4.11 2.07 -1.26 -4.36 121.20 132.53 1b9r s ILE 50 Ca 0.63 -1.76 -0.05 0.00 -1.41 0.00 0.00 60.65 58.06 1b9r s ILE 50 Cb -0.10 -2.95 0.09 0.00 0.13 0.00 0.00 42.46 39.63 1b9r s ILE 50 CO 0.12 0.00 0.31 -1.61 -1.91 0.00 0.00 174.94 171.85 1b9r s GLU 51 N -3.87 0.23 0.42 3.50 2.02 0.21 -3.56 118.70 117.65 1b9r s GLU 51 Ca 0.39 0.70 -0.25 0.00 0.02 0.00 0.00 54.97 55.83 1b9r s GLU 51 Cb 0.05 -0.19 -0.08 0.00 0.10 0.00 0.00 34.13 34.00 1b9r s GLU 51 CO 0.21 -0.39 1.23 0.42 0.02 0.00 0.00 175.26 176.75 1b9r s ILE 52 N 2.47 2.87 0.94 -1.63 -1.09 -1.04 0.27 121.20 124.00 1b9r s ILE 52 Ca 0.03 0.74 -0.12 0.00 -2.23 0.00 0.00 60.65 59.07 1b9r s ILE 52 Cb -0.13 -3.42 0.07 0.00 -1.58 0.00 0.00 42.46 37.40 1b9r s ILE 52 CO -0.11 0.07 0.64 -1.84 -1.23 0.00 0.00 174.94 172.46 1b9r n GLU 53 N -0.04 -0.34 0.00 2.79 -0.00 0.29 -4.63 120.64 118.72 1b9r n GLU 53 Ca 0.05 -0.05 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1b9r n GLU 53 Cb 0.45 -2.02 0.00 0.00 -0.00 0.00 0.00 31.44 29.88 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 -2.21 1.09 -0.02 -1.84 9.92 -1.26 -2.70 116.55 119.52 1b9r n ASP 54 Ca 0.08 -1.71 -0.00 0.00 -0.53 0.00 0.00 54.79 52.64 1b9r n ASP 54 Cb 0.53 -0.43 -0.06 0.00 -0.64 0.00 0.00 41.12 40.52 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b9r n ALA 55 N 0.14 2.03 0.69 2.24 0.00 -1.26 -4.69 120.51 119.67 1b9r n ALA 55 Ca 0.00 -0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.16 1b9r n ALA 55 Cb 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.27 0.00 7.02 -1.10 -4.48 117.44 116.57 1b9r n TRP 56 Ca -0.07 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.46 1b9r n TRP 56 Cb 0.50 0.00 0.19 0.00 -2.42 0.00 0.00 31.31 29.57 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 0.25 0.75 0.00 -0.99 2.07 -1.83 3.42 116.25 119.93 1b9r h VAL 57 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1b9r h VAL 57 Cb 0.37 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1b9r h VAL 57 CO 0.00 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 177.07 1b9r n GLU 58 N -4.91 0.57 -0.12 1.57 1.02 -1.26 0.11 120.64 117.62 1b9r n GLU 58 Ca 0.14 0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 57.15 1b9r n GLU 58 Cb 0.38 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.17 1.41 0.03 -3.67 5.41 0.70 -4.56 119.36 117.50 1b9r n ILE 59 Ca 0.16 -0.59 -0.21 0.00 1.00 0.00 0.00 62.75 63.11 1b9r n ILE 59 Cb 0.17 -1.23 -0.14 0.00 -0.71 0.00 0.00 39.64 37.72 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 0.78 -2.83 1.39 2.07 0.55 -3.41 116.25 114.80 1b9r h VAL 60 Ca -0.55 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 64.51 1b9r h VAL 60 Cb 1.92 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 34.29 1b9r h VAL 60 CO -0.07 0.85 0.00 0.61 0.02 0.00 0.00 177.57 178.99 1b9r n GLY 61 N 1.90 -1.45 3.41 2.17 0.00 0.31 -4.98 105.19 106.55 1b9r n GLY 61 Ca -0.27 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.28 0.38 -0.82 1.61 1.02 -1.24 -4.86 120.64 116.44 1b9r n GLU 62 Ca 0.00 0.15 -0.33 0.00 -0.02 0.00 0.00 57.16 56.95 1b9r n GLU 62 Cb 0.00 -1.52 0.11 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.65 -3.31 -1.19 0.62 0.00 -1.26 -5.00 120.51 108.72 1b9r n ALA 63 Ca 0.11 -0.71 -0.09 0.00 0.00 0.00 0.00 53.44 52.75 1b9r n ALA 63 Cb 0.47 -1.64 0.10 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.46 -0.82 0.12 0.00 0.23 -1.26 -4.69 115.26 108.38 1b9r n ASN 64 Ca 0.04 -0.98 0.06 0.00 -0.53 0.00 0.00 54.58 53.18 1b9r n ASN 64 Cb 0.55 -0.45 0.32 0.00 -2.08 0.00 0.00 39.78 38.13 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 -2.66 0.08 -0.05 -0.53 -0.02 -1.26 -1.18 135.00 129.38 1b9r n PRO 65 Ca 0.07 0.53 -0.16 0.00 -2.02 0.00 0.00 63.50 61.92 1b9r n PRO 65 Cb 0.26 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.86 0.16 2.55 5.19 -1.98 -1.88 116.42 121.32 1b9r h ASP 66 Ca 0.00 -0.59 -0.01 0.00 -0.62 0.00 0.00 57.03 55.81 1b9r h ASP 66 Cb 0.33 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1b9r h ASP 66 CO 0.00 1.30 -0.08 -0.08 -3.12 0.00 0.00 179.24 177.26 1b9r h GLU 67 N 0.47 -0.21 -0.98 3.56 4.22 -1.45 -2.14 114.58 118.05 1b9r h GLU 67 Ca -0.02 0.01 0.24 0.00 0.08 0.00 0.00 59.36 59.67 1b9r h GLU 67 Cb 1.22 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.44 1b9r h GLU 67 CO 0.13 0.14 0.65 -0.97 -2.18 0.00 0.00 179.01 176.77 1b9r h ASN 68 N -0.96 0.39 -0.27 1.04 -0.00 -1.65 0.39 115.58 114.53 1b9r h ASN 68 Ca -0.02 0.06 -0.18 0.00 -0.00 0.00 0.00 56.30 56.15 1b9r h ASN 68 Cb 0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 38.76 1b9r h ASN 68 CO 0.04 0.12 -0.53 -0.78 -0.00 0.00 0.00 177.43 176.27 1b9r h ASP 69 N 0.37 0.96 -0.51 1.15 1.82 -1.37 0.48 116.42 119.32 1b9r h ASP 69 Ca 0.53 -0.51 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1b9r h ASP 69 Cb 1.39 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 41.10 1b9r h ASP 69 CO -0.21 1.30 0.33 0.25 -1.61 0.00 0.00 179.24 179.30 1b9r h LEU 70 N 0.67 0.59 0.02 2.28 7.12 0.41 -1.39 115.31 125.02 1b9r h LEU 70 Ca 0.02 -0.02 -0.26 0.00 0.13 0.00 0.00 57.88 57.75 1b9r h LEU 70 Cb 1.14 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1b9r h LEU 70 CO 0.12 0.44 -1.14 -0.07 -0.13 0.00 0.00 178.44 177.65 1b9r h LEU 71 N 0.69 0.46 -2.49 2.25 4.07 -1.13 -3.19 115.31 115.97 1b9r h LEU 71 Ca 0.19 -0.45 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 1b9r h LEU 71 Cb -0.07 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.52 1b9r h LEU 71 CO -0.04 1.31 -0.02 1.56 -1.08 0.00 0.00 178.44 180.17 1b9r h GLN 72 N 0.12 0.00 -0.32 1.13 1.08 0.24 -1.52 115.11 115.85 1b9r h GLN 72 Ca -0.12 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.98 1b9r h GLN 72 Cb 1.84 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.26 1b9r h GLN 72 CO 0.19 0.02 -0.23 1.03 -0.95 0.00 0.00 178.83 178.89 1b9r h SER 73 N 0.00 0.62 0.28 1.46 0.87 -1.24 -3.17 113.55 112.37 1b9r h SER 73 Ca -0.00 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1b9r h SER 73 Cb 0.10 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1b9r h SER 73 CO 0.00 0.84 -0.21 0.71 -0.53 0.00 0.00 176.83 177.65 1b9r h THR 74 N 0.54 0.55 0.00 2.23 1.35 -1.41 -3.47 112.91 112.70 1b9r h THR 74 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1b9r h THR 74 Cb 0.69 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1b9r h THR 74 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1b9r n GLY 75 N -1.34 1.14 3.90 5.82 0.00 -1.20 -5.12 105.19 108.39 1b9r n GLY 75 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.09 3.64 0.28 1.61 8.01 -1.26 -5.10 118.70 125.79 1b9r s GLU 76 Ca 0.00 -0.04 -0.05 0.00 0.01 0.00 0.00 54.97 54.89 1b9r s GLU 76 Cb 0.00 -2.77 0.07 0.00 -4.31 0.00 0.00 34.13 27.13 1b9r s GLU 76 CO 0.00 0.38 0.16 -0.35 0.01 0.00 0.00 175.26 175.46 1b9r n PRO 77 N -0.27 -2.49 -3.74 0.39 -0.04 -1.26 -4.82 135.00 122.76 1b9r n PRO 77 Ca -0.02 -0.28 -0.09 0.00 -0.04 0.00 0.00 63.50 63.07 1b9r n PRO 77 Cb 0.53 -0.36 -0.03 0.00 -0.04 0.00 0.00 33.50 33.59 1b9r n PRO 77 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1b9r s MET 78 N -3.35 1.51 0.17 0.54 -1.94 -1.26 -5.03 119.30 109.94 1b9r s MET 78 Ca 0.13 -0.86 0.03 0.00 -1.71 0.00 0.00 55.69 53.27 1b9r s MET 78 Cb -0.02 0.56 -0.01 0.00 2.01 0.00 0.00 34.83 37.37 1b9r s MET 78 CO 0.11 -0.66 0.09 0.25 -0.01 0.00 0.00 175.02 174.80 1b9r n THR 79 N -0.39 0.00 -2.63 2.05 -2.24 -1.26 -5.09 114.28 104.73 1b9r n THR 79 Ca -0.09 -1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 60.16 1b9r n THR 79 Cb 0.62 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.56 3.43 0.00 6.98 0.00 -1.26 -3.15 121.76 125.21 1b9r s ALA 80 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1b9r s ALA 80 Cb 0.01 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1b9r s ALA 80 CO 0.09 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.61 1b9r n GLY 81 N 3.17 0.76 3.57 0.00 0.00 -1.26 -4.62 105.19 106.80 1b9r n GLY 81 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.72 3.64 -0.01 2.61 2.01 -1.19 -2.49 115.64 117.49 1b9r s THR 82 Ca 0.00 0.49 -0.21 0.00 0.31 0.00 0.00 61.69 62.28 1b9r s THR 82 Cb 0.00 -4.33 0.04 0.00 0.01 0.00 0.00 72.50 68.22 1b9r s THR 82 CO 0.00 -1.16 0.46 -0.60 -0.69 0.00 0.00 174.62 172.62 1b9r s ARG 83 N 5.98 0.86 -0.32 4.92 3.52 -1.23 -4.85 118.95 127.82 1b9r s ARG 83 Ca 0.55 -0.08 -0.44 0.00 -0.13 0.00 0.00 55.73 55.64 1b9r s ARG 83 Cb -0.12 0.39 -0.19 0.00 -1.56 0.00 0.00 34.95 33.48 1b9r s ARG 83 CO 0.23 -0.26 1.51 1.28 -0.81 0.00 0.00 175.30 177.25 1b9r n LEU 84 N 0.98 1.25 0.29 -0.88 4.77 -1.26 -4.22 117.00 117.92 1b9r n LEU 84 Ca -0.20 1.16 0.18 0.00 -0.03 0.00 0.00 56.01 57.11 1b9r n LEU 84 Cb 0.57 -0.96 0.86 0.00 -2.33 0.00 0.00 43.42 41.56 1b9r n LEU 84 CO 0.22 -0.97 1.05 0.77 -1.33 0.00 0.00 177.39 177.12 1b9r h SER 85 N 5.05 0.00 -0.95 -1.43 4.64 -1.82 -2.50 113.55 116.53 1b9r h SER 85 Ca -0.46 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.36 1b9r h SER 85 Cb 1.37 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.16 1b9r h SER 85 CO 0.90 0.04 0.64 0.00 -0.87 0.00 0.00 176.83 177.54 1b9r n GLN 87 N -1.06 3.58 -3.45 0.00 1.13 -0.94 -4.82 117.38 111.81 1b9r n GLN 87 Ca 0.57 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 55.23 1b9r n GLN 87 Cb 1.59 -0.69 -0.10 0.00 0.11 0.00 0.00 30.24 31.15 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 -0.80 5.21 -0.12 5.09 1.01 -1.24 -5.05 120.40 124.50 1b9r s VAL 88 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1b9r s VAL 88 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1b9r s VAL 88 CO 0.00 -0.04 -0.08 -0.36 0.00 0.00 0.00 175.10 174.63 1b9r s PHE 89 N 1.91 2.93 1.01 5.22 0.08 -1.26 -3.08 117.98 124.79 1b9r s PHE 89 Ca 0.10 -0.28 -0.17 0.00 0.12 0.00 0.00 56.93 56.70 1b9r s PHE 89 Cb -0.17 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.44 1b9r s PHE 89 CO 0.11 0.04 -0.14 -0.89 -0.10 0.00 0.00 175.22 174.24 1b9r n ILE 90 N 3.08 0.00 0.00 0.64 2.08 0.81 -4.46 119.36 121.51 1b9r n ILE 90 Ca -0.18 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 62.87 1b9r n ILE 90 Cb 0.53 -0.43 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 1b9r n ILE 90 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1b9r n ASP 91 N 0.06 0.00 -2.06 4.38 5.68 -1.26 0.69 116.55 124.04 1b9r n ASP 91 Ca 0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.30 1b9r n ASP 91 Cb 0.58 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.55 1b9r n ASP 91 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1b9r n PRO 92 N -0.00 0.37 0.00 0.11 -0.02 -1.26 -1.11 135.00 133.09 1b9r n PRO 92 Ca 0.00 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1b9r n PRO 92 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.25 0.07 -2.26 2.55 3.41 -1.26 -4.86 113.62 113.52 1b9r n SER 93 Ca 0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.41 1b9r n SER 93 Cb 0.18 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.48 3.41 -3.20 4.33 2.81 -0.26 -4.73 117.12 119.01 1b9r n MET 94 Ca 0.00 -4.28 -0.39 0.00 -1.81 0.00 0.00 57.70 51.22 1b9r n MET 94 Cb 0.01 -2.22 -0.06 0.00 -0.71 0.00 0.00 33.22 30.24 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 -3.57 6.71 -0.57 7.83 1.11 -1.24 -3.43 116.67 123.51 1b9r s ASP 95 Ca 0.48 0.86 0.00 0.00 0.18 0.00 0.00 52.55 54.07 1b9r s ASP 95 Cb 0.40 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 42.07 1b9r s ASP 95 CO -0.06 -0.13 0.00 0.61 1.18 0.00 0.00 175.17 176.77 1b9r n GLY 96 N 3.50 0.30 3.80 0.21 0.00 0.74 -4.72 105.19 109.02 1b9r n GLY 96 Ca -0.04 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.71 2.95 -0.10 0.99 -0.00 -0.74 -4.62 118.68 115.45 1b9r s LEU 97 Ca 0.00 1.57 0.03 0.00 -0.00 0.00 0.00 54.13 55.72 1b9r s LEU 97 Cb 0.00 -4.34 -0.01 0.00 -0.00 0.00 0.00 46.19 41.84 1b9r s LEU 97 CO 0.00 -1.70 -0.19 -0.63 -0.00 0.00 0.00 176.35 173.83 1b9r s ILE 98 N -3.05 2.51 0.12 1.48 1.09 -1.26 0.75 121.20 122.84 1b9r s ILE 98 Ca 0.59 -0.87 0.10 0.00 -1.10 0.00 0.00 60.65 59.38 1b9r s ILE 98 Cb -0.15 -2.00 -0.04 0.00 -1.06 0.00 0.00 42.46 39.22 1b9r s ILE 98 CO 0.55 0.55 -0.24 -0.69 -0.10 0.00 0.00 174.94 175.01 1b9r s VAL 99 N 0.20 2.42 0.03 2.92 1.01 1.18 0.10 120.40 128.26 1b9r s VAL 99 Ca -0.12 -1.64 -0.00 0.00 0.00 0.00 0.00 61.98 60.22 1b9r s VAL 99 Cb -0.16 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1b9r s VAL 99 CO 0.06 0.13 -0.03 -0.13 0.00 0.00 0.00 175.10 175.13 1b9r s ARG 100 N -1.98 0.39 -0.20 2.72 0.52 0.78 0.27 118.95 121.44 1b9r s ARG 100 Ca 0.15 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 54.52 1b9r s ARG 100 Cb -0.10 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.47 1b9r s ARG 100 CO 0.07 -0.07 0.06 0.08 0.02 0.00 0.00 175.30 175.46 1b9r s VAL 101 N -2.12 4.51 0.00 3.52 1.01 -0.20 0.68 120.40 127.80 1b9r s VAL 101 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1b9r s VAL 101 Cb -0.05 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1b9r s VAL 101 CO -0.03 0.41 0.00 -2.65 0.00 0.00 0.00 175.10 172.83 1b9r n PRO 102 N 4.07 0.95 -4.02 2.72 -0.02 -1.26 -4.64 135.00 132.79 1b9r n PRO 102 Ca -0.16 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.99 1b9r n PRO 102 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.94 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 4.06 0.00 2.45 1.43 -1.26 -4.78 118.68 120.58 1b9r s LEU 103 Ca 0.00 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1b9r s LEU 103 Cb 0.00 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.80 1b9r s LEU 103 CO 0.00 0.25 0.06 -0.81 0.23 0.00 0.00 176.35 176.08 1b9r n PRO 104 N 0.98 -1.98 0.00 1.29 -0.04 -1.26 -5.21 135.00 128.78 1b9r n PRO 104 Ca -0.11 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1b9r n PRO 104 Cb 0.52 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1b9r n PRO 104 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46