#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 1.88 0.24 -0.52 3.52 -1.26 -2.12 118.95 120.68 1b9r s ARG 2 Ca 0.00 -1.72 -0.20 0.00 -0.13 0.00 0.00 55.73 53.68 1b9r s ARG 2 Cb 0.00 -1.86 0.03 0.00 -1.56 0.00 0.00 34.95 31.56 1b9r s ARG 2 CO 0.00 0.28 0.64 0.08 -0.81 0.00 0.00 175.30 175.50 1b9r s VAL 3 N -2.49 0.00 -0.24 7.11 1.01 0.72 0.25 120.40 126.77 1b9r s VAL 3 Ca 0.31 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1b9r s VAL 3 Cb -0.03 -1.72 0.13 0.00 0.00 0.00 0.00 36.38 34.76 1b9r s VAL 3 CO 0.17 -0.02 0.40 -0.69 0.00 0.00 0.00 175.10 174.96 1b9r s VAL 4 N -3.88 -0.64 0.66 2.92 1.01 0.34 0.23 120.40 121.03 1b9r s VAL 4 Ca 0.09 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1b9r s VAL 4 Cb -0.04 -0.81 0.10 0.00 0.00 0.00 0.00 36.38 35.63 1b9r s VAL 4 CO 0.01 -0.09 0.91 -0.36 0.00 0.00 0.00 175.10 175.57 1b9r s PHE 5 N 2.58 1.78 0.15 5.22 0.40 0.00 0.41 117.98 128.52 1b9r s PHE 5 Ca 0.12 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 56.01 1b9r s PHE 5 Cb -0.15 -2.79 0.01 0.00 0.51 0.00 0.00 43.02 40.59 1b9r s PHE 5 CO -0.16 -1.45 0.32 0.42 0.70 0.00 0.00 175.22 175.06 1b9r s ILE 6 N -2.98 0.08 0.10 0.64 -1.09 -1.02 0.21 121.20 117.14 1b9r s ILE 6 Ca 0.64 -1.13 -0.26 0.00 -2.23 0.00 0.00 60.65 57.68 1b9r s ILE 6 Cb -0.06 -1.60 0.09 0.00 -1.58 0.00 0.00 42.46 39.30 1b9r s ILE 6 CO 0.42 -0.34 1.12 -0.62 -1.23 0.00 0.00 174.94 174.29 1b9r s ASP 7 N -2.91 -0.05 0.00 3.58 -1.08 -1.26 -1.20 116.67 113.75 1b9r s ASP 7 Ca 0.11 -0.42 0.27 0.00 -0.52 0.00 0.00 52.55 52.00 1b9r s ASP 7 Cb 0.03 0.36 0.97 0.00 -1.46 0.00 0.00 42.92 42.82 1b9r s ASP 7 CO -0.04 -0.70 1.69 1.21 0.52 0.00 0.00 175.17 177.85 1b9r n GLU 8 N -0.64 1.05 0.01 4.34 0.00 -1.26 0.32 120.64 124.46 1b9r n GLU 8 Ca -0.04 -0.56 -0.18 0.00 0.00 0.00 0.00 57.16 56.38 1b9r n GLU 8 Cb 0.60 -1.49 -0.14 0.00 0.00 0.00 0.00 31.44 30.41 1b9r n GLU 8 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1b9r h GLN 9 N 1.37 0.22 0.00 5.31 1.08 -1.96 -3.41 115.11 117.72 1b9r h GLN 9 Ca 0.00 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1b9r h GLN 9 Cb 0.46 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1b9r h GLN 9 CO 0.00 1.06 0.00 0.45 -0.95 0.00 0.00 178.83 179.39 1b9r n SER 10 N -3.40 0.33 -1.33 1.46 2.88 -1.25 -5.00 113.62 107.31 1b9r n SER 10 Ca -0.27 -0.85 -0.17 0.00 -1.33 0.00 0.00 58.87 56.25 1b9r n SER 10 Cb 1.05 0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 64.51 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 0.08 1.67 0.00 0.46 0.00 0.15 -4.85 105.19 102.70 1b9r n GLY 11 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 0.00 -3.03 1.61 2.13 -1.25 -4.57 120.64 113.53 1b9r n GLU 12 Ca -0.17 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.49 1b9r n GLU 12 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.35 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 -0.52 -0.97 -1.57 4.31 4.02 0.55 -4.68 117.16 118.30 1b9r n TYR 13 Ca 0.00 -3.18 -0.42 0.00 -0.01 0.00 0.00 57.90 54.29 1b9r n TYR 13 Cb 0.00 0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 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 0.54 -0.34 -3.00 -0.72 0.00 -1.25 -0.82 120.51 114.93 1b9r n ALA 14 Ca 0.18 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1b9r n ALA 14 Cb 0.65 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.43 0.00 -3.57 0.00 3.14 0.62 -4.75 118.33 113.35 1b9r n VAL 15 Ca 0.10 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.38 1b9r n VAL 15 Cb 0.37 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 -0.46 0.13 6.55 1.11 -1.25 0.26 116.67 125.01 1b9r s ASP 16 Ca 0.00 -0.21 0.02 0.00 0.18 0.00 0.00 52.55 52.53 1b9r s ASP 16 Cb 0.00 0.64 -0.01 0.00 1.07 0.00 0.00 42.92 44.62 1b9r s ASP 16 CO 0.00 -1.09 0.13 0.00 1.18 0.00 0.00 175.17 175.39 1b9r n ALA 17 N -0.40 0.12 -3.71 5.23 0.00 -0.90 -4.67 120.51 116.18 1b9r n ALA 17 Ca -0.13 -0.68 -0.15 0.00 0.00 0.00 0.00 53.44 52.49 1b9r n ALA 17 Cb 0.63 0.55 -0.16 0.00 0.00 0.00 0.00 19.45 20.47 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 -2.43 0.01 -0.41 0.00 -0.21 -1.26 0.26 119.66 115.62 1b9r s GLN 18 Ca 0.13 0.16 -0.32 0.00 0.02 0.00 0.00 55.36 55.35 1b9r s GLN 18 Cb 0.00 -0.27 -0.14 0.00 1.00 0.00 0.00 33.01 33.60 1b9r s GLN 18 CO 0.09 -0.16 1.64 -0.25 -2.12 0.00 0.00 175.29 174.50 1b9r n ASP 19 N 4.12 0.54 0.00 5.90 9.92 -1.26 -0.69 116.55 135.07 1b9r n ASP 19 Ca -0.27 0.48 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1b9r n ASP 19 Cb 0.51 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 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 5.58 0.94 3.51 0.44 0.00 0.63 -4.83 105.19 111.46 1b9r n GLY 20 Ca 0.42 0.00 -0.32 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 2.48 0.47 1.61 -0.21 0.13 -4.67 119.66 119.47 1b9r s GLN 21 Ca 0.00 -0.73 -0.02 0.00 0.02 0.00 0.00 55.36 54.63 1b9r s GLN 21 Cb 0.00 -2.40 0.10 0.00 1.00 0.00 0.00 33.01 31.70 1b9r s GLN 21 CO 0.00 0.61 0.64 -1.13 -2.12 0.00 0.00 175.29 173.30 1b9r n SER 22 N 2.01 0.64 -1.40 5.90 3.41 -1.20 0.17 113.62 123.15 1b9r n SER 22 Ca -0.17 -1.59 0.05 0.00 -0.26 0.00 0.00 58.87 56.90 1b9r n SER 22 Cb 0.52 -0.44 0.28 0.00 -0.26 0.00 0.00 64.21 64.31 1b9r n SER 22 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b9r n LEU 23 N 0.00 4.10 -0.03 1.04 7.99 -1.25 -3.37 117.00 125.47 1b9r n LEU 23 Ca 0.10 -2.07 -0.01 0.00 -0.01 0.00 0.00 56.01 54.01 1b9r n LEU 23 Cb 0.35 -0.59 -0.08 0.00 -0.11 0.00 0.00 43.42 42.99 1b9r n LEU 23 CO 0.24 0.54 -0.76 1.15 -1.51 0.00 0.00 177.39 177.05 1b9r n MET 24 N 0.52 1.55 -0.01 3.23 0.00 -1.26 -4.45 117.12 116.70 1b9r n MET 24 Ca 0.19 -0.04 -0.21 0.00 0.00 0.00 0.00 57.70 57.64 1b9r n MET 24 Cb 0.85 -1.26 -0.14 0.00 0.00 0.00 0.00 33.22 32.67 1b9r n MET 24 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1b9r n GLU 25 N -2.19 0.75 -0.03 3.17 4.07 -1.24 -4.14 120.64 121.03 1b9r n GLU 25 Ca -0.11 0.27 -0.11 0.00 -0.06 0.00 0.00 57.16 57.15 1b9r n GLU 25 Cb 0.62 -1.70 -0.05 0.00 -0.06 0.00 0.00 31.44 30.25 1b9r n GLU 25 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1b9r h VAL 26 N 0.02 0.17 0.00 6.31 2.07 -1.81 -2.67 116.25 120.33 1b9r h VAL 26 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1b9r h VAL 26 Cb 1.99 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1b9r h VAL 26 CO 0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1b9r n ALA 27 N -2.94 0.00 -0.33 1.67 0.00 -1.26 0.35 120.51 118.00 1b9r n ALA 27 Ca -0.03 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.77 1b9r n ALA 27 Cb 0.35 0.14 0.75 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 0.36 0.00 0.00 1.35 -1.66 1.57 112.91 114.53 1b9r h THR 28 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.65 1b9r h THR 28 Cb 0.00 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 66.76 1b9r h THR 28 CO 0.00 0.00 -1.04 1.56 -0.25 0.00 0.00 175.52 175.79 1b9r h GLN 29 N 0.00 0.00 -0.18 4.72 4.20 0.64 -3.23 115.11 121.25 1b9r h GLN 29 Ca 0.57 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.28 1b9r h GLN 29 Cb 2.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.13 1b9r h GLN 29 CO -0.01 0.96 0.00 0.09 -0.67 0.00 0.00 178.83 179.20 1b9r n ASN 30 N -3.33 1.53 0.00 1.46 3.02 0.52 -4.87 115.26 113.59 1b9r n ASN 30 Ca -0.01 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 1b9r n ASN 30 Cb 0.94 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 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 1.72 3.31 7.41 0.00 -0.17 -4.96 105.19 113.58 1b9r n GLY 31 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 1.02 1.61 0.31 -0.39 -4.81 118.33 114.07 1b9r n VAL 32 Ca 0.00 -0.26 0.07 0.00 -0.01 0.00 0.00 64.34 64.13 1b9r n VAL 32 Cb 0.00 -0.47 0.39 0.00 -0.91 0.00 0.00 33.84 32.85 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 -0.74 0.51 -4.05 5.55 -0.02 -1.26 -4.44 135.00 130.55 1b9r n PRO 33 Ca 0.04 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.16 1b9r n PRO 33 Cb 0.55 -1.40 -0.02 0.00 -0.02 0.00 0.00 33.50 32.61 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 0.02 -0.51 2.30 -1.23 0.00 -1.26 -4.78 105.19 99.72 1b9r n GLY 34 Ca 0.10 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.37 3.17 -2.81 -0.61 5.41 -1.26 -4.46 119.36 114.43 1b9r n ILE 35 Ca -0.16 -2.59 -0.09 0.00 1.00 0.00 0.00 62.75 60.91 1b9r n ILE 35 Cb 0.52 -1.48 0.03 0.00 -0.71 0.00 0.00 39.64 37.99 1b9r n ILE 35 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1b9r n VAL 36 N 0.58 -0.09 -2.84 1.39 0.24 -1.26 -4.69 118.33 111.65 1b9r n VAL 36 Ca 0.44 -1.62 -0.11 0.00 -2.04 0.00 0.00 64.34 61.00 1b9r n VAL 36 Cb 0.56 1.01 0.04 0.00 -1.47 0.00 0.00 33.84 33.97 1b9r n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b9r n ALA 37 N 2.01 -0.42 -0.11 2.33 0.00 -1.26 -4.79 120.51 118.26 1b9r n ALA 37 Ca 0.13 -1.86 -0.25 0.00 0.00 0.00 0.00 53.44 51.46 1b9r n ALA 37 Cb 0.60 -1.18 -0.11 0.00 0.00 0.00 0.00 19.45 18.76 1b9r n ALA 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1b9r n GLU 38 N 1.14 0.60 -0.08 0.00 4.07 -1.26 -4.50 120.64 120.61 1b9r n GLU 38 Ca 0.11 0.39 0.09 0.00 -0.06 0.00 0.00 57.16 57.69 1b9r n GLU 38 Cb 0.64 -1.62 0.12 0.00 -0.06 0.00 0.00 31.44 30.52 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 1.01 0.14 4.03 0.00 0.00 -1.26 -3.95 105.19 105.16 1b9r n GLY 40 Ca 0.13 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.26 -0.57 0.00 -0.02 0.00 -1.26 -4.82 105.19 97.26 1b9r n GLY 41 Ca -0.06 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.74 1.11 -3.10 1.61 7.64 -1.25 -4.96 113.62 112.92 1b9r n SER 42 Ca -0.13 -1.49 -0.08 0.00 1.01 0.00 0.00 58.87 58.19 1b9r n SER 42 Cb 0.49 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.72 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 -2.55 0.00 -3.73 0.00 0.31 -1.26 -5.12 118.33 105.98 1b9r n VAL 44 Ca -0.04 -0.05 -0.06 0.00 -0.01 0.00 0.00 64.34 64.18 1b9r n VAL 44 Cb 0.57 0.37 0.02 0.00 -0.91 0.00 0.00 33.84 33.89 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 -0.99 1.66 1.39 0.00 0.00 -1.26 -4.79 120.51 116.52 1b9r n ALA 46 Ca -0.13 -0.90 0.14 0.00 0.00 0.00 0.00 53.44 52.55 1b9r n ALA 46 Cb 0.50 -0.30 0.69 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.08 0.00 -0.84 0.00 -2.24 -1.26 -3.79 114.28 106.06 1b9r n THR 47 Ca 0.01 -0.02 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 1b9r n THR 47 Cb 0.61 -0.33 0.04 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.34 0.15 -3.62 0.00 3.00 -1.25 -4.31 116.66 110.97 1b9r n ARG 49 Ca 0.29 -0.89 -0.22 0.00 -0.00 0.00 0.00 57.85 57.02 1b9r n ARG 49 Cb 0.60 -2.78 -0.01 0.00 0.00 0.00 0.00 32.46 30.26 1b9r n ARG 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1b9r s ILE 50 N 10.37 5.05 -0.19 5.15 -1.09 -1.26 -4.05 121.20 135.19 1b9r s ILE 50 Ca 0.69 -0.72 -0.04 0.00 -2.23 0.00 0.00 60.65 58.34 1b9r s ILE 50 Cb -0.15 -3.81 0.07 0.00 -1.58 0.00 0.00 42.46 36.98 1b9r s ILE 50 CO 0.16 -0.43 0.08 -1.61 -1.23 0.00 0.00 174.94 171.92 1b9r s GLU 51 N -4.18 0.28 0.41 2.79 2.02 0.13 -2.86 118.70 117.28 1b9r s GLU 51 Ca 0.38 -0.26 -0.25 0.00 0.02 0.00 0.00 54.97 54.86 1b9r s GLU 51 Cb -0.09 -1.86 -0.08 0.00 0.10 0.00 0.00 34.13 32.19 1b9r s GLU 51 CO 0.33 -0.70 1.21 0.42 0.02 0.00 0.00 175.26 176.54 1b9r s ILE 52 N 2.03 2.96 0.99 -1.63 -1.09 -1.00 0.27 121.20 123.73 1b9r s ILE 52 Ca 0.02 0.82 -0.13 0.00 -2.23 0.00 0.00 60.65 59.13 1b9r s ILE 52 Cb -0.16 -3.46 0.11 0.00 -1.58 0.00 0.00 42.46 37.36 1b9r s ILE 52 CO -0.12 0.08 0.63 -1.84 -1.23 0.00 0.00 174.94 172.47 1b9r n GLU 53 N 0.05 -0.76 0.00 2.79 -0.00 0.70 -4.64 120.64 118.77 1b9r n GLU 53 Ca 0.04 -0.18 0.00 0.00 -0.00 0.00 0.00 57.16 57.03 1b9r n GLU 53 Cb 0.46 -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 -3.47 0.00 0.00 0.00 177.13 173.66 1b9r n ASP 54 N -2.61 0.86 -0.02 -1.84 2.03 -1.26 -2.72 116.55 110.99 1b9r n ASP 54 Ca 0.07 -1.79 -0.00 0.00 0.52 0.00 0.00 54.79 53.58 1b9r n ASP 54 Cb 0.54 -0.43 -0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1b9r n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b9r n ALA 55 N 0.03 2.02 0.25 -1.67 0.00 -1.26 -4.67 120.51 115.21 1b9r n ALA 55 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 53.44 53.17 1b9r n ALA 55 Cb 0.22 -0.06 0.12 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.05 0.27 -0.03 0.00 7.02 -1.10 -4.38 117.44 117.17 1b9r n TRP 56 Ca -0.07 -0.22 -0.06 0.00 -1.02 0.00 0.00 57.50 56.13 1b9r n TRP 56 Cb 0.50 -0.01 0.13 0.00 -2.42 0.00 0.00 31.31 29.52 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 2.81 1.28 -0.00 -0.99 2.07 -1.82 2.91 116.25 122.50 1b9r h VAL 57 Ca 0.00 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1b9r h VAL 57 Cb 0.70 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1b9r h VAL 57 CO 0.00 0.44 -0.04 -0.62 0.02 0.00 0.00 177.57 177.37 1b9r n GLU 58 N -4.09 0.78 -0.10 1.57 1.02 -1.26 -0.22 120.64 118.34 1b9r n GLU 58 Ca -0.01 -0.16 -0.12 0.00 -0.02 0.00 0.00 57.16 56.85 1b9r n GLU 58 Cb 0.44 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.97 1.17 0.05 -3.67 5.41 0.30 -4.57 119.36 117.08 1b9r n ILE 59 Ca 0.17 -0.55 -0.19 0.00 1.00 0.00 0.00 62.75 63.18 1b9r n ILE 59 Cb 0.23 -0.97 -0.14 0.00 -0.71 0.00 0.00 39.64 38.04 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 0.96 -2.79 1.39 2.07 0.51 -3.41 116.25 114.97 1b9r h VAL 60 Ca -0.46 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.46 1b9r h VAL 60 Cb 1.84 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 34.31 1b9r h VAL 60 CO -0.03 0.83 0.00 0.61 0.02 0.00 0.00 177.57 178.99 1b9r n GLY 61 N 1.79 -1.45 3.50 2.17 0.00 0.69 -4.97 105.19 106.92 1b9r n GLY 61 Ca -0.22 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.27 0.78 -0.02 1.61 1.02 -1.23 -4.91 120.64 117.61 1b9r n GLU 62 Ca 0.00 0.28 -0.01 0.00 -0.02 0.00 0.00 57.16 57.41 1b9r n GLU 62 Cb 0.00 -1.58 0.01 0.00 -0.02 0.00 0.00 31.44 29.84 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 -0.45 -0.10 -1.95 0.62 0.00 -1.26 -4.99 120.51 112.38 1b9r n ALA 63 Ca 0.12 -0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 1b9r n ALA 63 Cb 0.36 -0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.47 4.34 0.00 0.00 2.20 -1.26 -4.95 114.94 113.80 1b9r s ASN 64 Ca 0.01 0.12 0.02 0.00 -0.94 0.00 0.00 52.86 52.08 1b9r s ASN 64 Cb -0.00 -0.57 0.15 0.00 -2.00 0.00 0.00 41.25 38.82 1b9r s ASN 64 CO 0.01 -1.89 0.88 -2.65 -2.94 0.00 0.00 177.10 170.52 1b9r n PRO 65 N -3.03 0.78 -0.10 3.55 -0.02 -1.26 -3.47 135.00 131.45 1b9r n PRO 65 Ca 0.12 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.43 1b9r n PRO 65 Cb 0.60 -1.05 -0.08 0.00 -0.02 0.00 0.00 33.50 32.95 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 -0.55 1.85 0.29 2.55 8.00 -1.26 -2.93 116.55 124.49 1b9r n ASP 66 Ca 0.02 0.48 0.18 0.00 0.71 0.00 0.00 54.79 56.18 1b9r n ASP 66 Cb 0.01 -0.93 0.78 0.00 -0.02 0.00 0.00 41.12 40.96 1b9r n ASP 66 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1b9r h GLU 67 N -1.00 0.00 0.00 -1.24 -0.00 -1.96 -2.10 114.58 108.27 1b9r h GLU 67 Ca -0.26 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.00 1b9r h GLU 67 Cb 1.08 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.81 1b9r h GLU 67 CO -0.16 0.02 -0.98 -0.97 -0.00 0.00 0.00 179.01 176.93 1b9r h ASN 68 N 0.00 0.00 0.04 3.06 -0.00 -1.72 -3.27 115.58 113.69 1b9r h ASN 68 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1b9r h ASN 68 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.74 1b9r h ASN 68 CO 0.00 0.40 -0.02 -0.78 -0.00 0.00 0.00 177.43 177.03 1b9r h ASP 69 N 0.00 -0.04 -0.32 1.15 1.82 -1.27 -1.74 116.42 116.02 1b9r h ASP 69 Ca -0.07 -0.65 0.08 0.00 -0.39 0.00 0.00 57.03 56.00 1b9r h ASP 69 Cb 1.37 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.38 1b9r h ASP 69 CO 0.04 0.70 0.23 0.17 -1.61 0.00 0.00 179.24 178.76 1b9r h LEU 70 N -0.86 0.05 0.00 2.28 8.10 -1.64 0.19 115.31 123.43 1b9r h LEU 70 Ca -0.01 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.86 1b9r h LEU 70 Cb 0.69 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.88 1b9r h LEU 70 CO 0.01 0.03 -0.87 -0.07 -4.11 0.00 0.00 178.44 173.43 1b9r h LEU 71 N 0.05 0.00 -0.26 0.17 3.38 -1.61 -3.34 115.31 113.71 1b9r h LEU 71 Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1b9r h LEU 71 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1b9r h LEU 71 CO -0.01 0.52 -0.12 1.56 0.09 0.00 0.00 178.44 180.49 1b9r h GLN 72 N 0.00 0.53 -0.46 1.13 1.08 -0.02 -2.84 115.11 114.53 1b9r h GLN 72 Ca -0.06 -0.23 0.13 0.00 -1.45 0.00 0.00 58.65 57.04 1b9r h GLN 72 Cb 1.46 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.85 1b9r h GLN 72 CO 0.06 0.78 0.61 1.03 -0.95 0.00 0.00 178.83 180.36 1b9r h SER 73 N 0.26 0.00 0.67 1.46 0.87 -1.53 -1.45 113.55 113.82 1b9r h SER 73 Ca 0.06 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1b9r h SER 73 Cb 0.62 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1b9r h SER 73 CO 0.04 0.00 -0.32 0.71 -0.53 0.00 0.00 176.83 176.73 1b9r h THR 74 N 0.00 0.00 0.00 2.23 1.35 -1.68 -3.48 112.91 111.33 1b9r h THR 74 Ca 0.22 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1b9r h THR 74 Cb 1.44 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 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 -0.49 1.57 3.87 5.82 0.00 -0.55 -5.14 105.19 110.27 1b9r n GLY 75 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 3.49 0.93 1.61 0.41 -1.26 -5.10 118.70 118.77 1b9r s GLU 76 Ca 0.00 -0.10 -0.14 0.00 -0.41 0.00 0.00 54.97 54.32 1b9r s GLU 76 Cb 0.00 -3.20 0.21 0.00 -1.78 0.00 0.00 34.13 29.37 1b9r s GLU 76 CO 0.00 0.76 0.48 -2.30 -0.49 0.00 0.00 175.26 173.71 1b9r n PRO 77 N 2.01 -2.53 -3.65 0.39 -0.02 -1.26 -4.90 135.00 125.04 1b9r n PRO 77 Ca -0.20 -0.81 -0.06 0.00 -2.02 0.00 0.00 63.50 60.42 1b9r n PRO 77 Cb 0.55 -1.27 -0.06 0.00 -0.02 0.00 0.00 33.50 32.69 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 -3.75 0.63 0.24 -0.52 -1.94 -1.26 -5.09 119.30 107.61 1b9r s MET 78 Ca 0.37 1.26 0.02 0.00 -1.71 0.00 0.00 55.69 55.63 1b9r s MET 78 Cb -0.07 0.35 0.02 0.00 2.01 0.00 0.00 34.83 37.15 1b9r s MET 78 CO 0.31 -0.17 0.15 0.25 -0.01 0.00 0.00 175.02 175.55 1b9r n THR 79 N 4.69 0.00 -2.64 2.05 -2.24 -1.26 -5.06 114.28 109.82 1b9r n THR 79 Ca -0.17 -0.96 -0.42 0.00 -2.27 0.00 0.00 64.05 60.22 1b9r n THR 79 Cb 0.55 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.35 3.24 0.00 6.98 0.00 -1.26 -3.12 121.76 125.25 1b9r s ALA 80 Ca 0.11 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1b9r s ALA 80 Cb -0.01 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1b9r s ALA 80 CO 0.07 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1b9r n GLY 81 N 3.00 0.78 3.60 0.00 0.00 -1.26 -4.76 105.19 106.54 1b9r n GLY 81 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.15 4.15 -0.06 2.61 2.01 -1.18 -2.39 115.64 117.63 1b9r s THR 82 Ca 0.00 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.84 1b9r s THR 82 Cb 0.00 -4.63 0.11 0.00 0.01 0.00 0.00 72.50 67.99 1b9r s THR 82 CO 0.00 -1.09 0.92 -0.60 -0.69 0.00 0.00 174.62 173.15 1b9r s ARG 83 N 4.60 0.75 -0.72 4.92 3.00 -1.14 -4.85 118.95 125.52 1b9r s ARG 83 Ca 0.47 -0.13 -0.25 0.00 -1.00 0.00 0.00 55.73 54.82 1b9r s ARG 83 Cb -0.07 0.35 -0.14 0.00 0.00 0.00 0.00 34.95 35.08 1b9r s ARG 83 CO 0.30 -0.30 2.44 1.28 0.00 0.00 0.00 175.30 179.02 1b9r n LEU 84 N 0.11 1.42 -0.04 -0.88 4.32 -1.26 -4.04 117.00 116.63 1b9r n LEU 84 Ca -0.09 -0.69 -0.03 0.00 -0.02 0.00 0.00 56.01 55.18 1b9r n LEU 84 Cb 0.60 -1.39 0.21 0.00 -1.62 0.00 0.00 43.42 41.23 1b9r n LEU 84 CO 0.13 -1.73 0.85 0.77 -1.22 0.00 0.00 177.39 176.19 1b9r h SER 85 N 15.46 0.60 -0.37 -1.43 4.64 -1.85 -2.33 113.55 128.27 1b9r h SER 85 Ca -0.11 -0.15 0.11 0.00 -0.47 0.00 0.00 61.79 61.17 1b9r h SER 85 Cb 1.18 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1b9r h SER 85 CO 1.20 0.72 0.39 0.00 -0.87 0.00 0.00 176.83 178.27 1b9r n GLN 87 N -3.79 0.29 -4.15 0.00 7.27 -0.88 -4.81 117.38 111.32 1b9r n GLN 87 Ca 0.06 -0.05 -0.23 0.00 0.07 0.00 0.00 57.00 56.85 1b9r n GLN 87 Cb 0.55 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.65 1b9r n GLN 87 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1b9r s VAL 88 N -2.74 3.56 -0.11 1.69 1.01 0.22 -5.10 120.40 118.92 1b9r s VAL 88 Ca 0.22 -1.68 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 1b9r s VAL 88 Cb 0.19 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.56 1b9r s VAL 88 CO 0.51 -0.29 0.38 -0.36 0.00 0.00 0.00 175.10 175.35 1b9r s PHE 89 N -2.31 -0.38 0.99 5.22 0.40 -1.26 -3.25 117.98 117.38 1b9r s PHE 89 Ca 0.35 0.88 -0.16 0.00 -0.60 0.00 0.00 56.93 57.39 1b9r s PHE 89 Cb -0.05 0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.58 1b9r s PHE 89 CO 0.23 -0.26 -0.20 -0.89 0.70 0.00 0.00 175.22 174.80 1b9r n ILE 90 N 2.44 0.00 0.00 0.64 2.08 0.45 -4.51 119.36 120.46 1b9r n ILE 90 Ca -0.15 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 62.86 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 -0.90 0.56 0.00 0.00 176.55 176.21 1b9r n ASP 91 N 0.67 0.00 -2.15 4.38 5.68 -1.26 -0.27 116.55 123.59 1b9r n ASP 91 Ca 0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.30 1b9r n ASP 91 Cb 0.57 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.52 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 -0.21 0.39 0.00 0.11 -0.02 -1.26 -1.22 135.00 132.78 1b9r n PRO 92 Ca 0.00 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1b9r n PRO 92 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 2.42 0.00 -2.33 2.55 3.41 -1.26 -4.88 113.62 113.54 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 0.18 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.33 3.20 -3.16 4.33 2.81 -0.36 -4.80 117.12 117.81 1b9r n MET 94 Ca 0.00 -3.90 -0.40 0.00 -1.81 0.00 0.00 57.70 51.59 1b9r n MET 94 Cb 0.00 -2.28 -0.06 0.00 -0.71 0.00 0.00 33.22 30.17 1b9r n MET 94 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1b9r s ASP 95 N -2.73 6.61 -0.16 7.83 1.01 -1.23 -3.39 116.67 124.61 1b9r s ASP 95 Ca 0.54 0.74 0.00 0.00 0.71 0.00 0.00 52.55 54.55 1b9r s ASP 95 Cb 0.44 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 42.04 1b9r s ASP 95 CO -0.09 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.63 1b9r n GLY 96 N 3.95 0.34 3.78 0.21 0.00 0.69 -4.71 105.19 109.45 1b9r n GLY 96 Ca -0.02 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.50 3.47 -0.17 0.99 0.05 -0.27 -4.63 118.68 117.61 1b9r s LEU 97 Ca 0.00 1.94 0.01 0.00 0.05 0.00 0.00 54.13 56.13 1b9r s LEU 97 Cb 0.00 -4.55 0.01 0.00 -2.05 0.00 0.00 46.19 39.61 1b9r s LEU 97 CO 0.00 -1.41 -0.18 -0.63 -0.55 0.00 0.00 176.35 173.58 1b9r s ILE 98 N -2.33 2.29 0.55 1.48 1.09 -1.26 0.13 121.20 123.14 1b9r s ILE 98 Ca 0.66 -0.88 0.07 0.00 -1.10 0.00 0.00 60.65 59.41 1b9r s ILE 98 Cb -0.19 -1.96 0.05 0.00 -1.06 0.00 0.00 42.46 39.30 1b9r s ILE 98 CO 0.38 0.53 0.53 -0.69 -0.10 0.00 0.00 174.94 175.59 1b9r s VAL 99 N 1.16 1.87 0.07 2.92 1.01 1.35 0.25 120.40 129.03 1b9r s VAL 99 Ca 0.01 -1.32 -0.26 0.00 0.00 0.00 0.00 61.98 60.41 1b9r s VAL 99 Cb -0.14 -2.19 0.08 0.00 0.00 0.00 0.00 36.38 34.13 1b9r s VAL 99 CO -0.08 0.00 0.70 -0.13 0.00 0.00 0.00 175.10 175.59 1b9r s ARG 100 N -4.40 1.10 -0.18 2.72 0.52 0.77 -2.43 118.95 117.05 1b9r s ARG 100 Ca 0.44 -0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 55.36 1b9r s ARG 100 Cb -0.03 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.95 1b9r s ARG 100 CO 0.27 -0.46 -0.13 0.08 0.02 0.00 0.00 175.30 175.08 1b9r s VAL 101 N -3.07 2.70 0.96 3.52 1.01 -0.34 0.19 120.40 125.37 1b9r s VAL 101 Ca -0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1b9r s VAL 101 Cb -0.01 -2.17 0.24 0.00 0.00 0.00 0.00 36.38 34.44 1b9r s VAL 101 CO -0.08 0.50 0.94 -0.81 0.00 0.00 0.00 175.10 175.65 1b9r n PRO 102 N 4.40 -2.38 -4.05 2.72 -0.04 -1.26 -4.60 135.00 129.79 1b9r n PRO 102 Ca -0.19 -1.50 -0.12 0.00 -0.04 0.00 0.00 63.50 61.65 1b9r n PRO 102 Cb 0.51 -1.30 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.75 -0.69 1.53 1.43 -1.26 -4.89 118.68 115.54 1b9r s LEU 103 Ca 0.59 -1.29 -0.24 0.00 -1.03 0.00 0.00 54.13 52.17 1b9r s LEU 103 Cb -0.05 1.56 0.06 0.00 0.03 0.00 0.00 46.19 47.79 1b9r s LEU 103 CO 0.44 -1.24 1.05 -2.16 0.23 0.00 0.00 176.35 174.68 1b9r s PRO 104 N -3.39 3.15 0.00 1.29 0.04 -1.26 -5.17 135.00 129.66 1b9r s PRO 104 Ca 0.28 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.61 1b9r s PRO 104 Cb -0.00 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1b9r s PRO 104 CO 0.16 -1.91 0.00 0.00 0.04 0.00 0.00 177.00 175.29