#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 1.95 0.28 -0.52 3.52 -1.26 -2.05 118.95 120.86 1b9r s ARG 2 Ca 0.00 -1.51 -0.14 0.00 -0.13 0.00 0.00 55.73 53.95 1b9r s ARG 2 Cb 0.00 -2.00 0.01 0.00 -1.56 0.00 0.00 34.95 31.40 1b9r s ARG 2 CO 0.00 0.37 0.56 0.08 -0.81 0.00 0.00 175.30 175.50 1b9r s VAL 3 N -2.16 0.00 -0.27 7.11 1.01 0.75 0.26 120.40 127.10 1b9r s VAL 3 Ca 0.28 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1b9r s VAL 3 Cb -0.07 -2.26 0.16 0.00 0.00 0.00 0.00 36.38 34.21 1b9r s VAL 3 CO 0.16 0.00 0.47 -0.69 0.00 0.00 0.00 175.10 175.04 1b9r s VAL 4 N -3.76 -0.77 0.65 2.92 1.01 0.89 0.82 120.40 122.16 1b9r s VAL 4 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1b9r s VAL 4 Cb -0.02 -0.89 0.09 0.00 0.00 0.00 0.00 36.38 35.55 1b9r s VAL 4 CO 0.10 -0.08 0.91 -0.36 0.00 0.00 0.00 175.10 175.67 1b9r s PHE 5 N 2.67 2.16 0.07 5.22 0.40 0.52 0.42 117.98 129.45 1b9r s PHE 5 Ca 0.16 -0.13 -0.15 0.00 -0.60 0.00 0.00 56.93 56.21 1b9r s PHE 5 Cb -0.15 -2.91 0.03 0.00 0.51 0.00 0.00 43.02 40.50 1b9r s PHE 5 CO -0.18 -1.37 0.35 0.42 0.70 0.00 0.00 175.22 175.14 1b9r s ILE 6 N -3.00 0.08 -0.00 0.64 -1.09 -1.23 0.19 121.20 116.79 1b9r s ILE 6 Ca 0.62 -0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 58.12 1b9r s ILE 6 Cb -0.08 -1.04 0.10 0.00 -1.58 0.00 0.00 42.46 39.87 1b9r s ILE 6 CO 0.42 -0.35 1.10 -0.62 -1.23 0.00 0.00 174.94 174.26 1b9r s ASP 7 N -2.32 -0.17 0.00 3.58 -1.08 -1.26 -2.42 116.67 113.00 1b9r s ASP 7 Ca -0.02 -0.16 0.29 0.00 -0.52 0.00 0.00 52.55 52.14 1b9r s ASP 7 Cb 0.00 0.30 1.37 0.00 -1.46 0.00 0.00 42.92 43.13 1b9r s ASP 7 CO -0.06 -0.53 1.97 1.21 0.52 0.00 0.00 175.17 178.29 1b9r n GLU 8 N -0.35 0.25 -0.01 4.34 0.00 -1.26 0.26 120.64 123.87 1b9r n GLU 8 Ca -0.06 0.01 -0.11 0.00 0.00 0.00 0.00 57.16 57.00 1b9r n GLU 8 Cb 0.61 -1.50 -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 0.00 0.06 0.00 5.31 1.08 -1.97 -3.40 115.11 116.19 1b9r h GLN 9 Ca 0.00 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1b9r h GLN 9 Cb 0.36 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1b9r h GLN 9 CO 0.00 0.68 0.00 0.45 -0.95 0.00 0.00 178.83 179.01 1b9r n SER 10 N -3.16 0.33 -1.12 1.46 2.88 -1.21 -5.00 113.62 107.80 1b9r n SER 10 Ca -0.19 -0.76 -0.12 0.00 -1.33 0.00 0.00 58.87 56.48 1b9r n SER 10 Cb 1.05 0.16 -0.05 0.00 -0.75 0.00 0.00 64.21 64.61 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 0.16 1.14 0.00 0.46 0.00 0.74 -4.79 105.19 102.90 1b9r n GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b9r n GLY 11 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b9r n GLU 12 N -1.40 0.00 -3.03 1.61 2.13 -1.24 -4.59 120.64 114.13 1b9r n GLU 12 Ca -0.12 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.54 1b9r n GLU 12 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 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 -0.62 -1.05 -1.64 4.31 4.02 0.50 -4.70 117.16 117.98 1b9r n TYR 13 Ca 0.00 -3.14 -0.47 0.00 -0.01 0.00 0.00 57.90 54.29 1b9r n TYR 13 Cb 0.00 0.33 -0.04 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 0.61 0.49 -3.00 -0.72 0.00 -1.25 -0.35 120.51 116.29 1b9r n ALA 14 Ca 0.18 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1b9r n ALA 14 Cb 0.65 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 2.29 0.00 -3.63 0.00 3.14 0.24 -4.79 118.33 115.58 1b9r n VAL 15 Ca 0.15 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.42 1b9r n VAL 15 Cb 0.28 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.02 1b9r n VAL 15 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1b9r s ASP 16 N 1.80 -0.35 0.28 6.55 1.01 -1.25 0.27 116.67 124.98 1b9r s ASP 16 Ca 0.00 -0.31 0.06 0.00 0.71 0.00 0.00 52.55 53.00 1b9r s ASP 16 Cb 0.00 0.57 -0.02 0.00 1.01 0.00 0.00 42.92 44.48 1b9r s ASP 16 CO 0.00 -1.01 0.26 0.00 0.21 0.00 0.00 175.17 174.63 1b9r n ALA 17 N -0.34 0.52 -3.69 5.23 0.00 -0.87 -4.68 120.51 116.67 1b9r n ALA 17 Ca -0.13 -1.62 -0.22 0.00 0.00 0.00 0.00 53.44 51.48 1b9r n ALA 17 Cb 0.63 1.31 -0.17 0.00 0.00 0.00 0.00 19.45 21.22 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 -3.10 0.85 -0.45 0.00 -0.21 -1.26 0.29 119.66 115.78 1b9r s GLN 18 Ca 0.33 -0.06 -0.40 0.00 0.02 0.00 0.00 55.36 55.25 1b9r s GLN 18 Cb 0.01 -0.97 -0.17 0.00 1.00 0.00 0.00 33.01 32.88 1b9r s GLN 18 CO 0.23 -0.17 1.72 -0.25 -2.12 0.00 0.00 175.29 174.70 1b9r n ASP 19 N 4.48 0.83 0.00 5.90 9.92 -1.26 -0.77 116.55 135.65 1b9r n ASP 19 Ca -0.18 0.79 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 1b9r n ASP 19 Cb 0.50 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 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 5.45 1.01 3.47 0.44 0.00 0.31 -4.85 105.19 111.03 1b9r n GLY 20 Ca 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 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 1.68 0.37 1.61 -0.21 0.05 -4.66 119.66 118.51 1b9r s GLN 21 Ca 0.00 -1.34 0.05 0.00 0.02 0.00 0.00 55.36 54.09 1b9r s GLN 21 Cb 0.00 -2.00 0.06 0.00 1.00 0.00 0.00 33.01 32.08 1b9r s GLN 21 CO 0.00 0.44 0.51 -1.13 -2.12 0.00 0.00 175.29 172.99 1b9r n SER 22 N 0.49 1.25 -0.55 5.90 3.41 -1.19 0.28 113.62 123.21 1b9r n SER 22 Ca -0.14 -1.93 0.09 0.00 -0.26 0.00 0.00 58.87 56.63 1b9r n SER 22 Cb 0.54 -0.28 0.30 0.00 -0.26 0.00 0.00 64.21 64.51 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 1.62 -0.08 1.04 7.99 -1.25 -3.08 117.00 123.23 1b9r n LEU 23 Ca 0.10 -0.73 -0.13 0.00 -0.01 0.00 0.00 56.01 55.24 1b9r n LEU 23 Cb 0.37 -0.14 -0.14 0.00 -0.11 0.00 0.00 43.42 43.40 1b9r n LEU 23 CO 0.24 0.36 -1.06 0.80 -1.51 0.00 0.00 177.39 176.23 1b9r n MET 24 N 0.32 0.68 0.09 3.23 0.00 -1.26 -4.12 117.12 116.06 1b9r n MET 24 Ca 0.14 0.11 -0.22 0.00 -0.00 0.00 0.00 57.70 57.73 1b9r n MET 24 Cb 0.30 -1.59 -0.15 0.00 0.00 0.00 0.00 33.22 31.78 1b9r n MET 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1b9r h GLU 25 N 0.01 0.41 -0.15 2.12 5.08 -1.95 -3.33 114.58 116.76 1b9r h GLU 25 Ca -0.50 -0.70 0.05 0.00 -1.00 0.00 0.00 59.36 57.21 1b9r h GLU 25 Cb 2.10 0.26 -0.07 0.00 0.50 0.00 0.00 28.75 31.54 1b9r h GLU 25 CO 0.01 1.32 -0.41 0.28 -1.00 0.00 0.00 179.01 179.21 1b9r h VAL 26 N 0.11 0.16 0.00 3.13 2.07 -1.75 -2.67 116.25 117.30 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 2.10 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 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 -2.93 0.00 -0.35 1.67 0.00 -1.25 0.33 120.51 117.98 1b9r n ALA 27 Ca -0.04 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.77 1b9r n ALA 27 Cb 0.36 0.15 0.76 0.00 0.00 0.00 0.00 19.45 20.71 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 0.38 0.03 0.00 1.35 -1.64 1.93 112.91 114.96 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 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 1b9r h THR 28 CO 0.00 0.00 -0.98 1.56 -0.25 0.00 0.00 175.52 175.85 1b9r h GLN 29 N 0.00 0.10 -0.18 4.72 4.20 0.59 -3.15 115.11 121.39 1b9r h GLN 29 Ca 0.59 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1b9r h GLN 29 Cb 2.37 0.05 0.00 0.00 0.30 0.00 0.00 27.48 30.19 1b9r h GLN 29 CO -0.01 1.00 0.00 0.09 -0.67 0.00 0.00 178.83 179.24 1b9r n ASN 30 N -3.50 1.54 0.00 1.46 3.02 0.63 -4.87 115.26 113.53 1b9r n ASN 30 Ca -0.03 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 1b9r n ASN 30 Cb 0.89 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 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 1.08 1.39 3.54 7.41 0.00 0.45 -4.98 105.19 114.08 1b9r n GLY 31 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 2.35 -0.40 1.61 0.31 -0.34 -4.72 118.33 115.13 1b9r n VAL 32 Ca 0.00 -0.50 0.31 0.00 -0.01 0.00 0.00 64.34 64.14 1b9r n VAL 32 Cb 0.00 -0.89 0.47 0.00 -0.91 0.00 0.00 33.84 32.51 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 0.14 -0.00 -2.06 5.55 -0.01 -1.26 -4.31 135.00 133.05 1b9r n PRO 33 Ca 0.11 0.63 -0.16 0.00 -0.01 0.00 0.00 63.50 64.07 1b9r n PRO 33 Cb 0.41 -1.45 -0.03 0.00 -0.01 0.00 0.00 33.50 32.42 1b9r n PRO 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1b9r n GLY 34 N -1.52 0.29 2.46 -1.23 0.00 -1.26 -4.80 105.19 99.13 1b9r n GLY 34 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.07 2.44 -2.95 -0.61 2.08 -1.26 -4.72 119.36 111.26 1b9r n ILE 35 Ca -0.18 -1.40 0.00 0.00 0.56 0.00 0.00 62.75 61.73 1b9r n ILE 35 Cb 0.61 -2.08 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 1b9r n ILE 35 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1b9r n VAL 36 N 3.70 0.00 -2.44 1.39 0.24 -1.26 -4.93 118.33 115.03 1b9r n VAL 36 Ca 0.42 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.68 1b9r n VAL 36 Cb 0.27 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.66 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 -3.00 -1.82 0.31 2.33 0.00 -1.26 -4.96 120.51 112.10 1b9r n ALA 37 Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1b9r n ALA 37 Cb 0.00 -2.30 0.07 0.00 0.00 0.00 0.00 19.45 17.23 1b9r n ALA 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1b9r h GLU 38 N -0.21 0.00 0.00 0.00 4.57 -1.96 -3.39 114.58 113.59 1b9r h GLU 38 Ca -0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1b9r h GLU 38 Cb 1.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1b9r h GLU 38 CO 0.21 0.00 -0.99 0.00 -1.18 0.00 0.00 179.01 177.05 1b9r n GLY 40 N 2.98 0.90 4.25 0.00 0.00 -1.26 -4.59 105.19 107.47 1b9r n GLY 40 Ca 0.00 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.12 -0.27 0.07 -0.02 0.00 -1.26 -4.81 105.19 98.77 1b9r n GLY 41 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.68 0.97 -3.41 1.61 2.88 -1.26 -5.02 113.62 106.71 1b9r n SER 42 Ca -0.28 -0.98 -0.17 0.00 -1.33 0.00 0.00 58.87 56.11 1b9r n SER 42 Cb 0.66 0.19 0.08 0.00 -0.75 0.00 0.00 64.21 64.39 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 -3.96 0.00 -4.26 0.00 3.14 -1.26 -5.09 118.33 106.89 1b9r n VAL 44 Ca -0.25 -0.19 -0.15 0.00 -2.96 0.00 0.00 64.34 60.80 1b9r n VAL 44 Cb 0.66 1.62 -0.10 0.00 -1.06 0.00 0.00 33.84 34.96 1b9r n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b9r n ALA 46 N -0.40 1.42 0.39 0.00 0.00 -1.26 -4.74 120.51 115.91 1b9r n ALA 46 Ca 0.02 -0.67 0.10 0.00 0.00 0.00 0.00 53.44 52.88 1b9r n ALA 46 Cb 0.66 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.52 1b9r n ALA 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b9r n THR 47 N -0.20 0.96 -1.02 0.00 -1.04 -1.26 -3.20 114.28 108.51 1b9r n THR 47 Ca 0.00 0.29 -0.16 0.00 -2.04 0.00 0.00 64.05 62.14 1b9r n THR 47 Cb 0.36 -1.17 -0.03 0.00 -1.82 0.00 0.00 70.33 67.67 1b9r n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b9r n ARG 49 N 0.98 0.66 -3.19 0.00 5.12 -1.20 -4.28 116.66 114.76 1b9r n ARG 49 Ca 0.33 -1.91 -0.20 0.00 -1.93 0.00 0.00 57.85 54.14 1b9r n ARG 49 Cb 0.61 -3.70 0.01 0.00 -1.16 0.00 0.00 32.46 28.22 1b9r n ARG 49 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1b9r s ILE 50 N 13.79 3.78 -0.07 0.55 1.01 -1.26 -4.16 121.20 134.84 1b9r s ILE 50 Ca 0.75 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1b9r s ILE 50 Cb -0.01 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 39.17 1b9r s ILE 50 CO 0.18 -0.17 0.12 -1.61 0.00 0.00 0.00 174.94 173.46 1b9r s GLU 51 N -4.37 -0.01 0.52 2.79 2.02 -0.03 -3.33 118.70 116.30 1b9r s GLU 51 Ca 0.48 0.47 -0.20 0.00 0.02 0.00 0.00 54.97 55.74 1b9r s GLU 51 Cb -0.10 -0.41 -0.06 0.00 0.10 0.00 0.00 34.13 33.66 1b9r s GLU 51 CO 0.34 -0.33 1.15 0.42 0.02 0.00 0.00 175.26 176.86 1b9r s ILE 52 N 2.24 3.09 1.24 -1.63 -1.09 -1.26 0.12 121.20 123.91 1b9r s ILE 52 Ca 0.04 0.72 -0.19 0.00 -2.23 0.00 0.00 60.65 59.00 1b9r s ILE 52 Cb -0.12 -3.32 0.29 0.00 -1.58 0.00 0.00 42.46 37.73 1b9r s ILE 52 CO -0.05 -0.11 0.65 -1.84 -1.23 0.00 0.00 174.94 172.37 1b9r n GLU 53 N -1.07 -3.68 -0.69 2.79 0.00 0.30 -4.73 120.64 113.56 1b9r n GLU 53 Ca 0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 57.16 56.15 1b9r n GLU 53 Cb 0.50 -1.70 0.23 0.00 0.00 0.00 0.00 31.44 30.47 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 -3.62 4.00 -0.03 -1.84 8.00 -1.26 -3.68 116.55 118.11 1b9r n ASP 54 Ca 0.10 -2.79 -0.03 0.00 0.71 0.00 0.00 54.79 52.79 1b9r n ASP 54 Cb 0.46 -0.66 -0.04 0.00 -0.02 0.00 0.00 41.12 40.85 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 0.08 1.86 0.30 2.24 0.00 -1.26 -4.72 120.51 119.02 1b9r n ALA 55 Ca 0.26 -0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.41 1b9r n ALA 55 Cb 1.03 0.14 0.11 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.24 0.21 -0.18 0.00 7.02 -1.25 -4.45 117.44 116.55 1b9r n TRP 56 Ca -0.09 -0.17 -0.05 0.00 -1.02 0.00 0.00 57.50 56.16 1b9r n TRP 56 Cb 0.68 -0.01 0.11 0.00 -2.42 0.00 0.00 31.31 29.67 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 2.70 1.25 0.00 -0.99 2.07 -1.84 3.61 116.25 123.05 1b9r h VAL 57 Ca 0.00 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1b9r h VAL 57 Cb 0.66 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1b9r h VAL 57 CO 0.00 0.36 0.00 -0.62 0.02 0.00 0.00 177.57 177.33 1b9r n GLU 58 N -4.23 0.34 -0.12 1.57 -0.58 -1.26 -0.63 120.64 115.72 1b9r n GLU 58 Ca 0.04 0.03 -0.18 0.00 -0.42 0.00 0.00 57.16 56.63 1b9r n GLU 58 Cb 0.27 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.52 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 -1.31 1.51 0.00 -3.67 5.41 0.94 -4.84 119.36 117.40 1b9r n ILE 59 Ca 0.12 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.30 1b9r n ILE 59 Cb 0.23 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 1b9r n ILE 59 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1b9r n VAL 60 N -3.27 0.00 -2.33 1.39 0.31 1.16 -4.73 118.33 110.86 1b9r n VAL 60 Ca -0.45 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1b9r n VAL 60 Cb 0.99 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 2.74 0.00 0.20 2.92 0.00 0.20 -4.67 105.19 106.58 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 1.01 0.00 -6.56 1.61 5.08 -1.89 -3.47 114.58 110.36 1b9r h GLU 62 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1b9r h GLU 62 Cb 0.00 0.00 0.20 0.00 0.50 0.00 0.00 28.75 29.45 1b9r h GLU 62 CO 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 179.01 177.38 1b9r n ALA 63 N -2.01 -2.21 -1.96 3.43 0.00 -1.26 -5.00 120.51 111.51 1b9r n ALA 63 Ca 0.04 -0.33 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 1b9r n ALA 63 Cb 0.46 -1.74 0.05 0.00 0.00 0.00 0.00 19.45 18.22 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 5.07 0.00 0.00 4.22 -1.26 -4.93 114.94 116.57 1b9r s ASN 64 Ca 0.61 0.10 0.00 0.00 -2.14 0.00 0.00 52.86 51.43 1b9r s ASN 64 Cb -0.32 -0.88 0.00 0.00 1.28 0.00 0.00 41.25 41.32 1b9r s ASN 64 CO 0.63 -1.33 0.50 -0.81 -2.04 0.00 0.00 177.10 174.05 1b9r n PRO 65 N -2.55 0.00 -0.05 3.55 -0.04 -1.26 -2.86 135.00 131.79 1b9r n PRO 65 Ca 0.08 0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1b9r n PRO 65 Cb 0.60 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1b9r n PRO 65 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1b9r n ASP 66 N -1.00 1.17 -0.34 3.54 8.00 -1.26 -3.11 116.55 123.55 1b9r n ASP 66 Ca 0.00 0.45 0.18 0.00 0.71 0.00 0.00 54.79 56.13 1b9r n ASP 66 Cb 0.00 -0.73 0.34 0.00 -0.02 0.00 0.00 41.12 40.72 1b9r n ASP 66 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1b9r h GLU 67 N -0.64 0.01 -0.02 -1.24 5.08 -1.91 2.14 114.58 118.00 1b9r h GLU 67 Ca 0.00 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1b9r h GLU 67 Cb 0.37 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1b9r h GLU 67 CO 0.00 0.01 -0.68 -0.97 -1.00 0.00 0.00 179.01 176.37 1b9r h ASN 68 N 0.01 0.09 0.23 1.42 -1.24 -1.77 -3.08 115.58 111.24 1b9r h ASN 68 Ca 0.64 -0.06 -0.26 0.00 0.71 0.00 0.00 56.30 57.33 1b9r h ASN 68 Cb 1.41 -0.03 0.01 0.00 0.73 0.00 0.00 38.32 40.45 1b9r h ASN 68 CO -0.89 0.74 -1.08 -0.78 -1.29 0.00 0.00 177.43 174.12 1b9r h ASP 69 N 0.05 0.71 -0.54 1.15 3.58 0.29 -1.81 116.42 119.85 1b9r h ASP 69 Ca -0.01 -0.61 -0.00 0.00 0.42 0.00 0.00 57.03 56.83 1b9r h ASP 69 Cb 1.20 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 1b9r h ASP 69 CO 0.09 1.42 0.33 0.17 -2.88 0.00 0.00 179.24 178.38 1b9r h LEU 70 N 0.27 0.66 0.11 2.28 8.10 0.17 -1.53 115.31 125.36 1b9r h LEU 70 Ca -0.13 -0.03 -0.30 0.00 0.11 0.00 0.00 57.88 57.54 1b9r h LEU 70 Cb 1.74 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 41.79 1b9r h LEU 70 CO 0.20 0.51 -1.46 -0.07 -4.11 0.00 0.00 178.44 173.51 1b9r h LEU 71 N 0.76 0.36 -1.82 0.17 3.38 -1.57 -3.30 115.31 113.29 1b9r h LEU 71 Ca 0.20 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1b9r h LEU 71 Cb -0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1b9r h LEU 71 CO -0.04 1.39 -0.14 1.56 0.09 0.00 0.00 178.44 181.30 1b9r h GLN 72 N 0.06 0.00 -0.40 1.13 1.08 -0.93 -2.29 115.11 113.76 1b9r h GLN 72 Ca -0.21 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 1b9r h GLN 72 Cb 2.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.41 1b9r h GLN 72 CO 0.16 0.14 0.18 1.03 -0.95 0.00 0.00 178.83 179.39 1b9r h SER 73 N 0.00 0.50 -0.61 1.46 0.87 -1.37 -2.03 113.55 112.37 1b9r h SER 73 Ca -0.00 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1b9r h SER 73 Cb 0.31 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1b9r h SER 73 CO 0.02 0.44 0.40 0.71 -0.53 0.00 0.00 176.83 177.87 1b9r h THR 74 N 0.56 1.09 0.00 2.23 1.35 -1.58 -3.46 112.91 113.10 1b9r h THR 74 Ca 0.14 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1b9r h THR 74 Cb 0.09 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 1b9r h THR 74 CO -0.02 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1b9r n GLY 75 N -1.46 0.56 3.93 5.82 0.00 -0.77 -5.06 105.19 108.23 1b9r n GLY 75 Ca 0.07 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.13 3.19 -0.00 1.61 0.41 -1.26 -5.03 118.70 116.49 1b9r s GLU 76 Ca 0.00 -0.22 -0.30 0.00 -0.41 0.00 0.00 54.97 54.04 1b9r s GLU 76 Cb 0.00 -2.47 -0.07 0.00 -1.78 0.00 0.00 34.13 29.81 1b9r s GLU 76 CO 0.00 -0.29 1.63 -1.25 -0.49 0.00 0.00 175.26 174.86 1b9r s PRO 77 N -4.66 4.20 0.08 0.39 0.04 -1.26 -4.97 135.00 128.82 1b9r s PRO 77 Ca 0.48 2.22 0.03 0.00 0.04 0.00 0.00 61.00 63.77 1b9r s PRO 77 Cb -0.10 -3.81 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 1b9r s PRO 77 CO 0.41 -0.78 -0.09 -1.64 0.04 0.00 0.00 177.00 174.94 1b9r s MET 78 N 3.38 0.75 0.13 4.56 -1.94 -1.26 -5.17 119.30 119.75 1b9r s MET 78 Ca 0.73 -1.06 0.00 0.00 -1.71 0.00 0.00 55.69 53.65 1b9r s MET 78 Cb -0.35 -0.42 0.00 0.00 2.01 0.00 0.00 34.83 36.07 1b9r s MET 78 CO 0.30 0.06 0.02 0.25 -0.01 0.00 0.00 175.02 175.64 1b9r n THR 79 N 0.76 0.00 -2.76 2.05 -2.24 -1.26 -5.09 114.28 105.74 1b9r n THR 79 Ca -0.18 -0.62 -0.43 0.00 -2.27 0.00 0.00 64.05 60.56 1b9r n THR 79 Cb 0.57 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 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 -2.22 3.47 0.00 6.98 0.00 -1.26 -3.59 121.76 125.13 1b9r s ALA 80 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1b9r s ALA 80 Cb -0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1b9r s ALA 80 CO 0.01 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 174.70 1b9r n GLY 81 N 4.14 0.47 3.53 0.00 0.00 -1.26 -4.81 105.19 107.25 1b9r n GLY 81 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1b9r n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b9r n THR 82 N 0.00 0.06 -3.85 2.61 -1.04 -1.24 -4.07 114.28 106.74 1b9r n THR 82 Ca 0.00 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.42 1b9r n THR 82 Cb 0.00 -2.15 -0.03 0.00 -1.82 0.00 0.00 70.33 66.33 1b9r n THR 82 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1b9r s ARG 83 N 7.64 1.59 -0.63 -2.82 0.52 -1.21 -4.93 118.95 119.11 1b9r s ARG 83 Ca 1.07 -1.01 -0.28 0.00 -0.52 0.00 0.00 55.73 54.99 1b9r s ARG 83 Cb -0.52 0.54 -0.29 0.00 0.52 0.00 0.00 34.95 35.20 1b9r s ARG 83 CO 0.36 -0.69 1.88 1.28 0.02 0.00 0.00 175.30 178.15 1b9r n LEU 84 N -0.40 1.38 -0.33 2.53 4.32 -1.26 -4.08 117.00 119.16 1b9r n LEU 84 Ca -0.05 -2.12 0.24 0.00 -0.02 0.00 0.00 56.01 54.05 1b9r n LEU 84 Cb 0.61 -1.20 0.46 0.00 -1.62 0.00 0.00 43.42 41.68 1b9r n LEU 84 CO 0.18 -2.77 1.00 -1.28 -1.22 0.00 0.00 177.39 173.29 1b9r h SER 85 N 10.74 0.15 0.00 -1.43 0.87 -1.85 2.24 113.55 124.27 1b9r h SER 85 Ca 0.14 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1b9r h SER 85 Cb 0.86 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1b9r h SER 85 CO 1.49 -0.32 0.02 0.00 -0.53 0.00 0.00 176.83 177.49 1b9r n GLN 87 N -1.94 1.91 -3.89 0.00 1.13 0.76 -4.83 117.38 110.52 1b9r n GLN 87 Ca -0.01 -1.61 -0.36 0.00 -1.94 0.00 0.00 57.00 53.09 1b9r n GLN 87 Cb 0.04 -1.43 -0.13 0.00 0.11 0.00 0.00 30.24 28.83 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 -2.00 3.92 -0.07 5.09 1.01 0.33 -4.98 120.40 123.70 1b9r s VAL 88 Ca 0.24 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1b9r s VAL 88 Cb 0.18 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1b9r s VAL 88 CO 0.35 0.39 -0.08 -0.36 0.00 0.00 0.00 175.10 175.40 1b9r s PHE 89 N 1.40 2.91 0.37 5.22 0.08 -1.26 -3.16 117.98 123.55 1b9r s PHE 89 Ca 0.05 -0.00 -0.25 0.00 0.12 0.00 0.00 56.93 56.84 1b9r s PHE 89 Cb -0.15 -1.71 -0.12 0.00 -0.57 0.00 0.00 43.02 40.47 1b9r s PHE 89 CO 0.01 0.31 0.89 -0.89 -0.10 0.00 0.00 175.22 175.44 1b9r n ILE 90 N 2.26 2.14 -3.61 0.64 2.08 0.78 -4.50 119.36 119.14 1b9r n ILE 90 Ca -0.18 -0.50 -0.16 0.00 0.56 0.00 0.00 62.75 62.47 1b9r n ILE 90 Cb 0.53 -0.92 -0.07 0.00 -0.75 0.00 0.00 39.64 38.42 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 -0.74 -0.56 0.42 4.38 1.47 -1.26 0.12 116.67 120.49 1b9r s ASP 91 Ca 0.62 0.77 0.30 0.00 1.18 0.00 0.00 52.55 55.41 1b9r s ASP 91 Cb -0.63 0.73 1.02 0.00 -0.34 0.00 0.00 42.92 43.70 1b9r s ASP 91 CO 0.58 -0.45 1.06 -2.65 0.68 0.00 0.00 175.17 174.39 1b9r n PRO 92 N 1.57 0.00 0.00 2.11 -0.02 -1.26 0.31 135.00 137.71 1b9r n PRO 92 Ca -0.18 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1b9r n PRO 92 Cb 0.56 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 -3.12 2.27 -2.21 2.55 3.41 -1.26 -3.54 113.62 111.72 1b9r n SER 93 Ca 0.26 -1.91 -0.02 0.00 -0.26 0.00 0.00 58.87 56.94 1b9r n SER 93 Cb 1.33 -0.48 0.06 0.00 -0.26 0.00 0.00 64.21 64.86 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 0.36 0.63 -3.41 4.33 2.81 0.90 -4.51 117.12 118.23 1b9r n MET 94 Ca 0.00 -0.71 -0.38 0.00 -1.81 0.00 0.00 57.70 54.80 1b9r n MET 94 Cb 0.40 0.15 -0.08 0.00 -0.71 0.00 0.00 33.22 32.99 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 -0.55 6.41 0.00 7.83 1.11 -1.23 -3.96 116.67 126.28 1b9r s ASP 95 Ca 0.06 0.48 0.00 0.00 0.18 0.00 0.00 52.55 53.27 1b9r s ASP 95 Cb 0.21 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.98 1b9r s ASP 95 CO -0.06 -0.06 0.00 0.61 1.18 0.00 0.00 175.17 176.84 1b9r n GLY 96 N 3.95 0.74 3.75 0.21 0.00 0.71 -4.72 105.19 109.82 1b9r n GLY 96 Ca -0.09 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 1b9r n GLY 96 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b9r s LEU 97 N -0.39 3.48 -0.17 0.99 2.96 0.68 -4.65 118.68 121.59 1b9r s LEU 97 Ca 0.00 2.25 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 1b9r s LEU 97 Cb 0.00 -4.58 0.03 0.00 0.50 0.00 0.00 46.19 42.14 1b9r s LEU 97 CO 0.00 -1.79 -0.14 -0.63 -1.32 0.00 0.00 176.35 172.46 1b9r s ILE 98 N -1.94 1.71 0.33 6.68 1.09 -1.25 0.30 121.20 128.11 1b9r s ILE 98 Ca 0.73 -0.81 0.05 0.00 -1.10 0.00 0.00 60.65 59.52 1b9r s ILE 98 Cb -0.27 -1.64 0.05 0.00 -1.06 0.00 0.00 42.46 39.55 1b9r s ILE 98 CO 0.39 0.40 0.43 0.52 -0.10 0.00 0.00 174.94 176.58 1b9r n VAL 99 N 4.71 0.00 -3.56 2.92 0.31 1.44 0.11 118.33 124.27 1b9r n VAL 99 Ca -0.17 -1.11 -0.13 0.00 -0.01 0.00 0.00 64.34 62.92 1b9r n VAL 99 Cb 0.49 -0.68 -0.05 0.00 -0.91 0.00 0.00 33.84 32.69 1b9r n VAL 99 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1b9r s ARG 100 N -3.47 0.75 -0.31 5.55 0.52 0.31 -3.48 118.95 118.83 1b9r s ARG 100 Ca 0.33 0.19 -0.02 0.00 -0.52 0.00 0.00 55.73 55.70 1b9r s ARG 100 Cb -0.03 0.36 0.05 0.00 0.52 0.00 0.00 34.95 35.85 1b9r s ARG 100 CO 0.21 -0.23 0.02 0.08 0.02 0.00 0.00 175.30 175.39 1b9r s VAL 101 N -1.13 3.06 -0.21 3.52 1.01 -1.01 -0.85 120.40 124.79 1b9r s VAL 101 Ca -0.05 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 60.48 1b9r s VAL 101 Cb -0.00 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.52 1b9r s VAL 101 CO 0.04 -0.15 3.03 -0.81 0.00 0.00 0.00 175.10 177.22 1b9r n PRO 102 N 4.63 2.07 -2.13 2.72 -0.04 -1.26 -4.73 135.00 136.27 1b9r n PRO 102 Ca -0.12 -1.52 -0.28 0.00 -0.04 0.00 0.00 63.50 61.54 1b9r n PRO 102 Cb 0.43 -1.95 0.14 0.00 -0.04 0.00 0.00 33.50 32.08 1b9r n PRO 102 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1b9r s LEU 103 N -1.04 2.77 0.29 1.53 2.34 -1.26 -5.04 118.68 118.27 1b9r s LEU 103 Ca 0.56 0.20 -0.06 0.00 0.06 0.00 0.00 54.13 54.90 1b9r s LEU 103 Cb 0.32 -2.47 -0.05 0.00 -0.56 0.00 0.00 46.19 43.42 1b9r s LEU 103 CO -0.09 -2.24 0.56 -2.16 -1.06 0.00 0.00 176.35 171.35 1b9r s PRO 104 N -5.57 3.66 0.00 1.48 0.04 -1.26 -5.07 135.00 128.28 1b9r s PRO 104 Ca 0.68 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1b9r s PRO 104 Cb -0.06 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1b9r s PRO 104 CO 0.49 0.22 0.00 0.00 0.04 0.00 0.00 177.00 177.75