#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4r n SER 2 N 0.00 -4.75 -4.95 1.61 7.64 -1.26 -5.00 113.62 106.91 1x4r n SER 2 Ca 0.00 -0.55 -0.23 0.00 1.01 0.00 0.00 58.87 59.09 1x4r n SER 2 Cb 0.00 -4.94 0.04 0.00 -1.01 0.00 0.00 64.21 58.30 1x4r n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4r s SER 3 N -3.67 5.35 0.30 6.43 1.04 -1.26 -5.09 113.70 116.80 1x4r s SER 3 Ca 0.37 0.28 -0.03 0.00 0.48 0.00 0.00 55.95 57.05 1x4r s SER 3 Cb -0.16 -1.21 -0.04 0.00 0.10 0.00 0.00 66.02 64.70 1x4r s SER 3 CO 0.71 -1.13 0.54 -0.83 0.98 0.00 0.00 173.24 173.51 1x4r s GLY 4 N -4.38 1.68 0.15 7.32 0.00 -1.26 -5.01 107.32 105.82 1x4r s GLY 4 Ca 0.55 -0.69 -0.16 0.00 0.00 0.00 0.00 44.72 44.41 1x4r s GLY 4 CO 0.41 -0.61 1.80 1.76 0.00 0.00 0.00 173.10 176.46 1x4r h SER 5 N 1.37 0.45 -1.56 1.64 0.02 -2.07 -3.45 113.55 109.95 1x4r h SER 5 Ca -0.48 -0.03 0.18 0.00 -0.84 0.00 0.00 61.79 60.62 1x4r h SER 5 Cb 1.20 -0.11 -0.28 0.00 0.14 0.00 0.00 62.40 63.34 1x4r h SER 5 CO 0.65 0.34 0.48 -0.55 -1.14 0.00 0.00 176.83 176.61 1x4r s SER 6 N -5.57 -0.31 -1.17 3.07 0.15 -1.26 -5.07 113.70 103.53 1x4r s SER 6 Ca -0.13 0.47 -0.19 0.00 0.70 0.00 0.00 55.95 56.80 1x4r s SER 6 Cb 0.11 1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 65.62 1x4r s SER 6 CO 0.72 -0.07 1.97 0.61 1.20 0.00 0.00 173.24 177.67 1x4r n GLY 7 N 4.00 2.77 0.00 9.45 0.00 -1.26 -3.99 105.19 116.17 1x4r n GLY 7 Ca -0.14 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1x4r n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x4r n LYS 8 N 7.33 0.67 0.18 1.61 2.85 -1.26 -4.81 118.16 124.72 1x4r n LYS 8 Ca 0.49 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.78 1x4r n LYS 8 Cb 0.43 -0.63 0.38 0.00 -0.65 0.00 0.00 35.03 34.55 1x4r n LYS 8 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1x4r h SER 9 N 0.00 0.06 -0.14 -5.58 0.87 -2.03 -2.07 113.55 104.67 1x4r h SER 9 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1x4r h SER 9 Cb 0.26 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1x4r h SER 9 CO 0.00 0.36 0.00 2.30 -0.53 0.00 0.00 176.83 178.96 1x4r n ILE 10 N -4.16 0.60 -2.68 2.23 -0.00 -1.26 -4.87 119.36 109.21 1x4r n ILE 10 Ca -0.02 -0.31 -0.22 0.00 -0.00 0.00 0.00 62.75 62.19 1x4r n ILE 10 Cb 0.36 -0.40 0.03 0.00 -0.00 0.00 0.00 39.64 39.63 1x4r n ILE 10 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1x4r s ARG 11 N -1.44 2.69 0.13 6.28 0.52 -0.78 -5.02 118.95 121.33 1x4r s ARG 11 Ca 0.12 -0.59 -0.31 0.00 -0.52 0.00 0.00 55.73 54.44 1x4r s ARG 11 Cb 0.09 -2.46 -0.10 0.00 0.52 0.00 0.00 34.95 33.00 1x4r s ARG 11 CO 0.04 -0.63 1.69 -0.51 0.02 0.00 0.00 175.30 175.91 1x4r s LEU 12 N -4.77 4.38 -0.17 2.53 1.02 -1.26 -4.99 118.68 115.41 1x4r s LEU 12 Ca 0.55 2.65 -0.16 0.00 0.02 0.00 0.00 54.13 57.19 1x4r s LEU 12 Cb -0.10 -3.58 0.05 0.00 0.02 0.00 0.00 46.19 42.58 1x4r s LEU 12 CO 0.39 -0.92 0.46 0.00 0.02 0.00 0.00 176.35 176.31 1x4r s ALA 13 N 2.07 -1.14 -1.00 4.21 0.00 -1.26 -4.93 121.76 119.71 1x4r s ALA 13 Ca 0.75 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 54.02 1x4r s ALA 13 Cb -0.44 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1x4r s ALA 13 CO 0.33 -0.22 0.01 0.36 0.00 0.00 0.00 175.76 176.24 1x4r n LYS 14 N 2.90 -0.95 -0.03 0.00 2.85 -1.26 -4.77 118.16 116.89 1x4r n LYS 14 Ca -0.14 0.05 -0.11 0.00 -1.05 0.00 0.00 58.31 57.07 1x4r n LYS 14 Cb 0.57 -2.29 0.03 0.00 -0.65 0.00 0.00 35.03 32.69 1x4r n LYS 14 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1x4r h GLU 15 N -0.80 0.67 -0.14 -1.58 -0.00 -1.99 -2.92 114.58 107.82 1x4r h GLU 15 Ca -0.43 -0.41 0.04 0.00 -0.00 0.00 0.00 59.36 58.56 1x4r h GLU 15 Cb 0.91 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.69 1x4r h GLU 15 CO 0.46 1.03 0.15 1.57 -0.00 0.00 0.00 179.01 182.21 1x4r h LYS 16 N 0.52 0.00 -1.27 1.06 2.10 -2.03 -2.66 116.57 114.30 1x4r h LYS 16 Ca 0.02 0.00 0.42 0.00 -2.00 0.00 0.00 60.65 59.09 1x4r h LYS 16 Cb 1.08 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.30 1x4r h LYS 16 CO 0.11 0.00 0.84 0.39 -2.00 0.00 0.00 179.45 178.78 1x4r n GLU 17 N -3.88 -0.03 -0.31 0.07 -0.58 -1.10 0.02 120.64 114.83 1x4r n GLU 17 Ca 0.01 1.05 0.20 0.00 -0.42 0.00 0.00 57.16 58.00 1x4r n GLU 17 Cb 0.26 -2.12 0.38 0.00 -0.57 0.00 0.00 31.44 29.39 1x4r n GLU 17 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x4r n SER 18 N -4.29 0.07 -0.18 1.62 2.88 -1.00 0.14 113.62 112.86 1x4r n SER 18 Ca 0.35 1.54 -0.01 0.00 -1.33 0.00 0.00 58.87 59.42 1x4r n SER 18 Cb 1.41 -0.64 0.09 0.00 -0.75 0.00 0.00 64.21 64.32 1x4r n SER 18 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1x4r h GLN 19 N 0.00 0.31 -0.37 -1.46 3.07 -0.70 0.25 115.11 116.22 1x4r h GLN 19 Ca 0.65 -0.02 0.04 0.00 0.09 0.00 0.00 58.65 59.41 1x4r h GLN 19 Cb 1.53 -0.07 -0.07 0.00 0.08 0.00 0.00 27.48 28.95 1x4r h GLN 19 CO -0.79 0.21 -0.45 0.00 0.09 0.00 0.00 178.83 177.89 1x4r h ALA 20 N 1.41 -0.66 0.02 0.06 0.00 0.10 -0.74 119.26 119.45 1x4r h ALA 20 Ca 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1x4r h ALA 20 Cb 0.37 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1x4r h ALA 20 CO -0.32 -0.89 -0.01 0.38 0.00 0.00 0.00 179.25 178.41 1x4r h ASP 21 N -0.29 -0.02 -1.64 0.00 2.03 -1.50 -2.75 116.42 112.25 1x4r h ASP 21 Ca 0.06 -0.31 0.50 0.00 -0.73 0.00 0.00 57.03 56.56 1x4r h ASP 21 Cb 0.46 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.86 1x4r h ASP 21 CO -0.50 0.30 1.14 0.22 -1.03 0.00 0.00 179.24 179.36 1x4r h TYR 22 N -0.34 0.23 0.19 4.15 3.20 -0.09 1.27 116.97 125.58 1x4r h TYR 22 Ca -0.00 0.01 -0.33 0.00 3.14 0.00 0.00 58.73 61.55 1x4r h TYR 22 Cb 0.32 -0.05 0.02 0.00 1.54 0.00 0.00 36.73 38.56 1x4r h TYR 22 CO 0.03 -0.10 -1.55 0.82 -1.64 0.00 0.00 178.16 175.72 1x4r h ILE 23 N 0.02 1.17 -0.59 1.81 2.04 -0.94 -3.34 117.51 117.68 1x4r h ILE 23 Ca 0.87 -2.70 -0.09 0.00 1.00 0.00 0.00 64.86 63.93 1x4r h ILE 23 Cb 3.18 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 42.13 1x4r h ILE 23 CO -0.20 0.84 0.00 0.28 0.00 0.00 0.00 178.15 179.07 1x4r h SER 24 N 0.11 1.02 -0.71 1.72 0.02 0.17 -3.08 113.55 112.81 1x4r h SER 24 Ca -0.27 -0.31 0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1x4r h SER 24 Cb 2.10 -0.28 -0.13 0.00 0.14 0.00 0.00 62.40 64.23 1x4r h SER 24 CO 0.21 1.08 0.35 0.35 -1.14 0.00 0.00 176.83 177.68 1x4r n THR 25 N -4.21 -0.30 -3.89 -2.27 -2.24 0.70 -3.08 114.28 98.99 1x4r n THR 25 Ca 0.03 1.44 -0.30 0.00 -2.27 0.00 0.00 64.05 62.95 1x4r n THR 25 Cb 0.34 -2.32 -0.15 0.00 -2.10 0.00 0.00 70.33 66.10 1x4r n THR 25 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1x4r s TYR 26 N -5.12 2.61 -0.01 4.78 1.13 -1.16 -5.10 117.35 114.48 1x4r s TYR 26 Ca -0.07 -2.17 -0.21 0.00 -1.41 0.00 0.00 57.07 53.21 1x4r s TYR 26 Cb 0.24 -2.09 0.04 0.00 -1.10 0.00 0.00 41.96 39.05 1x4r s TYR 26 CO 0.55 -0.87 0.47 0.54 -2.51 0.00 0.00 175.55 173.73 1x4r s VAL 27 N 1.31 0.04 -0.07 -3.49 0.11 -1.18 -4.10 120.40 113.01 1x4r s VAL 27 Ca 0.06 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1x4r s VAL 27 Cb -0.18 -0.82 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1x4r s VAL 27 CO -0.14 -0.16 -0.14 -0.70 -3.33 0.00 0.00 175.10 170.64 1x4r s GLU 28 N -1.55 1.87 -0.18 1.54 2.56 0.87 -4.83 118.70 118.99 1x4r s GLU 28 Ca -0.11 -0.47 0.01 0.00 0.00 0.00 0.00 54.97 54.40 1x4r s GLU 28 Cb -0.02 -1.54 0.03 0.00 2.00 0.00 0.00 34.13 34.60 1x4r s GLU 28 CO 0.05 0.03 -0.17 -1.58 -0.56 0.00 0.00 175.26 173.03 1x4r s TRP 29 N 0.67 2.61 0.18 5.30 0.52 -1.26 -1.08 118.94 125.88 1x4r s TRP 29 Ca -0.14 -1.57 0.10 0.00 0.02 0.00 0.00 56.10 54.50 1x4r s TRP 29 Cb -0.16 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 1x4r s TRP 29 CO 0.04 -0.77 -0.20 -0.65 0.02 0.00 0.00 176.95 175.39 1x4r s GLN 30 N 1.34 1.37 0.04 4.98 -0.21 -1.12 -2.75 119.66 123.30 1x4r s GLN 30 Ca 0.03 -1.46 0.07 0.00 0.02 0.00 0.00 55.36 54.03 1x4r s GLN 30 Cb -0.14 -1.50 -0.02 0.00 1.00 0.00 0.00 33.01 32.35 1x4r s GLN 30 CO -0.11 0.31 -0.21 1.52 -2.12 0.00 0.00 175.29 174.67 1x4r s TYR 31 N -1.97 1.89 -0.43 0.91 1.13 -0.41 -1.14 117.35 117.32 1x4r s TYR 31 Ca 0.18 -0.38 -0.16 0.00 -1.41 0.00 0.00 57.07 55.30 1x4r s TYR 31 Cb -0.06 -1.14 0.03 0.00 -1.10 0.00 0.00 41.96 39.69 1x4r s TYR 31 CO 0.08 0.08 0.39 0.42 -2.51 0.00 0.00 175.55 174.01 1x4r s ILE 32 N -0.76 5.16 0.87 -3.49 1.09 0.16 -2.12 121.20 122.11 1x4r s ILE 32 Ca 0.08 -0.58 -0.12 0.00 -1.10 0.00 0.00 60.65 58.93 1x4r s ILE 32 Cb -0.09 -4.03 0.11 0.00 -1.06 0.00 0.00 42.46 37.40 1x4r s ILE 32 CO 0.01 -0.43 1.12 -0.62 -0.10 0.00 0.00 174.94 174.93 1x4r s ASP 33 N 1.93 3.88 0.00 3.58 2.15 0.71 -2.59 116.67 126.32 1x4r s ASP 33 Ca 0.08 1.11 0.00 0.00 0.43 0.00 0.00 52.55 54.18 1x4r s ASP 33 Cb -0.19 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 1x4r s ASP 33 CO 0.11 -2.34 0.38 0.29 -0.17 0.00 0.00 175.17 173.45 1x4r n LYS 34 N -3.65 0.00 -0.12 4.34 5.02 -1.26 -2.41 118.16 120.08 1x4r n LYS 34 Ca 0.07 0.38 0.07 0.00 -2.02 0.00 0.00 58.31 56.81 1x4r n LYS 34 Cb 0.58 -0.59 0.10 0.00 -0.02 0.00 0.00 35.03 35.10 1x4r n LYS 34 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1x4r n ASN 35 N -2.07 1.95 -4.18 4.39 2.85 -1.26 -5.04 115.26 111.90 1x4r n ASN 35 Ca 0.00 -2.79 -0.15 0.00 -0.11 0.00 0.00 54.58 51.52 1x4r n ASN 35 Cb 0.00 -0.35 -0.11 0.00 1.24 0.00 0.00 39.78 40.56 1x4r n ASN 35 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1x4r s ILE 36 N -2.24 1.00 -0.30 -1.44 1.09 -1.01 -5.13 121.20 113.17 1x4r s ILE 36 Ca 0.24 -1.57 0.02 0.00 -1.10 0.00 0.00 60.65 58.24 1x4r s ILE 36 Cb 0.21 -1.30 0.08 0.00 -1.06 0.00 0.00 42.46 40.39 1x4r s ILE 36 CO 0.02 -0.48 0.01 -0.89 -0.10 0.00 0.00 174.94 173.51 1x4r s THR 37 N -2.15 1.84 0.51 2.92 2.01 -1.26 0.25 115.64 119.76 1x4r s THR 37 Ca 0.04 -1.80 0.00 0.00 0.31 0.00 0.00 61.69 60.24 1x4r s THR 37 Cb -0.05 -2.23 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 1x4r s THR 37 CO 0.01 -0.40 0.00 0.00 -0.69 0.00 0.00 174.62 173.54 1x4r n GLN 38 N 4.48 0.75 -4.31 4.92 1.13 -0.90 -4.97 117.38 118.48 1x4r n GLN 38 Ca -0.04 -3.76 -0.18 0.00 -1.94 0.00 0.00 57.00 51.09 1x4r n GLN 38 Cb 0.42 1.03 -0.10 0.00 0.11 0.00 0.00 30.24 31.70 1x4r n GLN 38 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x4r s PHE 40 N -2.94 3.14 0.90 0.00 0.08 -1.11 -4.88 117.98 113.16 1x4r s PHE 40 Ca 0.20 0.96 -0.15 0.00 0.12 0.00 0.00 56.93 58.06 1x4r s PHE 40 Cb -0.01 -3.21 0.21 0.00 -0.57 0.00 0.00 43.02 39.45 1x4r s PHE 40 CO 0.05 -1.45 1.00 -0.25 -0.10 0.00 0.00 175.22 174.47 1x4r n ASP 41 N -3.16 -0.83 0.18 1.36 8.00 -1.26 -4.66 116.55 116.17 1x4r n ASP 41 Ca 0.07 -1.23 0.05 0.00 0.71 0.00 0.00 54.79 54.38 1x4r n ASP 41 Cb 0.58 -0.83 0.28 0.00 -0.02 0.00 0.00 41.12 41.14 1x4r n ASP 41 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1x4r h LYS 42 N 0.00 0.00 0.22 -1.24 5.09 -1.98 0.28 116.57 118.94 1x4r h LYS 42 Ca -0.35 0.00 -0.32 0.00 0.09 0.00 0.00 60.65 60.07 1x4r h LYS 42 Cb 1.00 0.00 0.03 0.00 0.10 0.00 0.00 32.23 33.36 1x4r h LYS 42 CO 0.24 0.42 -1.41 0.00 -2.09 0.00 0.00 179.45 176.60 1x4r h MET 43 N 0.00 0.50 0.20 0.07 -0.00 -2.02 -3.36 114.93 110.31 1x4r h MET 43 Ca -0.00 -0.82 -0.33 0.00 -0.00 0.00 0.00 59.70 58.54 1x4r h MET 43 Cb 0.98 0.30 0.02 0.00 -0.00 0.00 0.00 31.60 32.90 1x4r h MET 43 CO 0.05 1.39 -1.56 1.15 -0.00 0.00 0.00 176.91 177.94 1x4r h THR 44 N 0.15 1.16 -0.94 -0.10 2.02 -1.91 -3.29 112.91 109.99 1x4r h THR 44 Ca -0.22 -2.69 0.37 0.00 0.77 0.00 0.00 66.41 64.63 1x4r h THR 44 Cb 2.11 2.89 -0.17 0.00 -1.74 0.00 0.00 68.15 71.23 1x4r h THR 44 CO 0.26 0.84 0.40 -3.20 0.37 0.00 0.00 175.52 174.18 1x4r n ASN 45 N -3.61 0.23 0.06 4.18 2.85 0.99 0.11 115.26 120.07 1x4r n ASN 45 Ca -0.19 1.58 -0.21 0.00 -0.11 0.00 0.00 54.58 55.65 1x4r n ASN 45 Cb 1.08 -0.72 -0.13 0.00 1.24 0.00 0.00 39.78 41.25 1x4r n ASN 45 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x4r h MET 46 N 0.00 0.53 -0.39 1.20 -0.00 -1.72 -3.00 114.93 111.55 1x4r h MET 46 Ca 0.75 -0.68 0.11 0.00 -0.00 0.00 0.00 59.70 59.88 1x4r h MET 46 Cb 1.91 0.22 -0.02 0.00 -0.00 0.00 0.00 31.60 33.71 1x4r h MET 46 CO -0.76 1.29 0.81 0.87 -0.00 0.00 0.00 176.91 179.11 1x4r h LYS 47 N 0.08 0.00 0.00 -0.10 1.57 0.73 0.22 116.57 119.08 1x4r h LYS 47 Ca -0.15 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1x4r h LYS 47 Cb 1.71 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.00 1x4r h LYS 47 CO 0.19 0.00 -1.20 1.28 -0.57 0.00 0.00 179.45 179.15 1x4r n LEU 48 N -3.05 1.90 -0.33 2.94 4.77 -1.00 -3.96 117.00 118.27 1x4r n LEU 48 Ca 0.08 0.43 0.17 0.00 -0.03 0.00 0.00 56.01 56.66 1x4r n LEU 48 Cb 0.95 -0.82 0.40 0.00 -2.33 0.00 0.00 43.42 41.62 1x4r n LEU 48 CO 0.15 -0.09 1.20 1.05 -1.33 0.00 0.00 177.39 178.37 1x4r h GLU 49 N -1.00 0.57 -0.14 3.23 -0.00 -1.10 0.02 114.58 116.16 1x4r h GLU 49 Ca -0.18 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.36 59.14 1x4r h GLU 49 Cb 1.03 -0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 29.64 1x4r h GLU 49 CO -0.11 0.38 0.07 -0.39 -0.00 0.00 0.00 179.01 178.96 1x4r h VAL 50 N 0.59 1.12 -0.16 -1.06 -1.51 -0.82 0.11 116.25 114.52 1x4r h VAL 50 Ca 0.59 -0.35 -0.05 0.00 -1.23 0.00 0.00 66.70 65.66 1x4r h VAL 50 Cb 1.16 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 1x4r h VAL 50 CO -0.36 0.11 -0.13 0.00 -1.23 0.00 0.00 177.57 175.96 1x4r h ALA 51 N 0.94 1.49 -0.08 5.19 0.00 -1.20 -0.09 119.26 125.51 1x4r h ALA 51 Ca 0.05 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 1x4r h ALA 51 Cb 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1x4r h ALA 51 CO -0.01 0.36 -0.90 2.35 0.00 0.00 0.00 179.25 181.06 1x4r h TRP 52 N 0.24 1.03 -0.21 0.00 7.01 -0.74 0.18 115.95 123.46 1x4r h TRP 52 Ca 0.05 -0.50 -0.17 0.00 2.11 0.00 0.00 58.89 60.38 1x4r h TRP 52 Cb 0.39 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1x4r h TRP 52 CO 0.01 1.34 -0.55 0.87 -2.79 0.00 0.00 178.44 177.31 1x4r h LYS 53 N 0.46 0.62 -0.01 2.65 1.79 -0.50 -2.74 116.57 118.85 1x4r h LYS 53 Ca -0.09 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1x4r h LYS 53 Cb 1.54 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.23 1x4r h LYS 53 CO 0.18 1.01 0.00 0.00 -1.08 0.00 0.00 179.45 179.56 1x4r n ALA 54 N -2.53 2.40 -3.86 3.86 0.00 -0.07 -4.85 120.51 115.47 1x4r n ALA 54 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1x4r n ALA 54 Cb 0.61 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.09 1x4r n ALA 54 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x4r n LYS 55 N -0.49 -5.69 -1.68 0.00 5.02 -1.03 -4.95 118.16 109.34 1x4r n LYS 55 Ca 0.00 0.62 -0.30 0.00 -2.02 0.00 0.00 58.31 56.61 1x4r n LYS 55 Cb 0.00 -5.53 0.06 0.00 -0.02 0.00 0.00 35.03 29.54 1x4r n LYS 55 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1x4r s LYS 56 N -6.57 2.70 -0.00 1.97 -0.14 0.64 -5.00 119.74 113.33 1x4r s LYS 56 Ca 0.65 0.70 -0.09 0.00 -1.36 0.00 0.00 55.97 55.87 1x4r s LYS 56 Cb -0.32 -1.98 -0.31 0.00 -1.68 0.00 0.00 37.83 33.54 1x4r s LYS 56 CO 0.80 -1.20 0.84 -0.22 -0.76 0.00 0.00 175.35 174.81 1x4r h LYS 57 N -0.79 0.37 -1.82 1.68 1.63 -1.92 -3.44 116.57 112.29 1x4r h LYS 57 Ca -0.45 -0.64 0.06 0.00 -0.85 0.00 0.00 60.65 58.77 1x4r h LYS 57 Cb 1.24 0.24 -0.20 0.00 -0.60 0.00 0.00 32.23 32.90 1x4r h LYS 57 CO 0.60 1.27 0.47 0.16 -3.45 0.00 0.00 179.45 178.50 1x4r s ASP 58 N -7.25 -0.42 -0.04 4.20 1.47 -1.26 -2.71 116.67 110.66 1x4r s ASP 58 Ca -0.11 0.36 0.02 0.00 1.18 0.00 0.00 52.55 54.00 1x4r s ASP 58 Cb 0.06 0.36 0.01 0.00 -0.34 0.00 0.00 42.92 43.02 1x4r s ASP 58 CO 0.88 -0.46 -0.08 0.28 0.68 0.00 0.00 175.17 176.47 1x4r s THR 59 N -1.62 0.78 0.01 2.11 -1.32 0.85 -4.95 115.64 111.51 1x4r s THR 59 Ca -0.02 -0.30 -0.23 0.00 -1.21 0.00 0.00 61.69 59.94 1x4r s THR 59 Cb -0.01 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 70.19 1x4r s THR 59 CO 0.00 0.27 0.70 -0.69 -2.21 0.00 0.00 174.62 172.69 1x4r s VAL 60 N 0.63 4.84 0.04 5.08 1.01 -1.26 -1.31 120.40 129.42 1x4r s VAL 60 Ca -0.10 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.35 1x4r s VAL 60 Cb -0.13 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1x4r s VAL 60 CO 0.01 0.37 -0.05 0.68 0.00 0.00 0.00 175.10 176.12 1x4r s VAL 61 N 0.01 0.29 -0.57 2.92 -7.23 -0.22 -4.92 120.40 110.68 1x4r s VAL 61 Ca 0.36 -1.15 -0.27 0.00 -1.81 0.00 0.00 61.98 59.11 1x4r s VAL 61 Cb -0.19 -0.62 0.03 0.00 0.56 0.00 0.00 36.38 36.16 1x4r s VAL 61 CO 0.20 -0.56 1.13 -1.10 -0.31 0.00 0.00 175.10 174.47 1x4r s GLN 62 N -1.98 3.49 -0.22 4.82 1.11 -1.26 0.13 119.66 125.76 1x4r s GLN 62 Ca -0.09 0.17 0.00 0.00 0.01 0.00 0.00 55.36 55.45 1x4r s GLN 62 Cb -0.07 -4.01 0.03 0.00 -1.01 0.00 0.00 33.01 27.95 1x4r s GLN 62 CO -0.02 -1.62 -0.14 0.42 0.01 0.00 0.00 175.29 173.95 1x4r s ILE 63 N 4.70 2.37 -0.92 1.08 1.01 0.52 -4.67 121.20 125.30 1x4r s ILE 63 Ca 0.41 -1.08 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 1x4r s ILE 63 Cb -0.08 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1x4r s ILE 63 CO 0.25 0.33 0.80 1.41 0.00 0.00 0.00 174.94 177.72 1x4r n HIS 64 N 4.60 -1.95 -1.95 3.97 8.25 -1.26 -2.30 115.22 124.59 1x4r n HIS 64 Ca -0.18 0.69 -0.16 0.00 -0.26 0.00 0.00 57.72 57.80 1x4r n HIS 64 Cb 0.48 -3.77 -0.03 0.00 1.12 0.00 0.00 29.99 27.78 1x4r n HIS 64 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1x4r n ASN 65 N -1.62 -4.91 -3.71 0.41 5.15 -1.26 -4.98 115.26 104.34 1x4r n ASN 65 Ca -0.00 0.17 -0.13 0.00 -0.60 0.00 0.00 54.58 54.02 1x4r n ASN 65 Cb 0.54 -3.95 -0.13 0.00 -0.53 0.00 0.00 39.78 35.71 1x4r n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x4r s GLN 66 N -4.20 0.20 0.25 1.20 -2.07 -0.97 -5.13 119.66 108.93 1x4r s GLN 66 Ca 0.00 0.61 -0.31 0.00 -1.82 0.00 0.00 55.36 53.84 1x4r s GLN 66 Cb 0.00 -0.09 -0.11 0.00 -1.09 0.00 0.00 33.01 31.72 1x4r s GLN 66 CO 0.00 -0.20 1.59 -0.51 -1.32 0.00 0.00 175.29 174.86 1x4r s ASP 67 N 1.60 6.45 0.09 12.60 1.11 -1.26 -0.36 116.67 136.90 1x4r s ASP 67 Ca -0.06 2.84 0.06 0.00 0.18 0.00 0.00 52.55 55.57 1x4r s ASP 67 Cb -0.11 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.23 1x4r s ASP 67 CO -0.09 -0.88 -0.16 -0.36 1.18 0.00 0.00 175.17 174.86 1x4r s PHE 68 N 0.41 1.41 -0.45 4.23 0.40 0.12 -4.82 117.98 119.28 1x4r s PHE 68 Ca 0.66 -0.47 -0.16 0.00 -0.60 0.00 0.00 56.93 56.36 1x4r s PHE 68 Cb -0.47 -0.77 0.05 0.00 0.51 0.00 0.00 43.02 42.34 1x4r s PHE 68 CO 0.41 0.12 0.41 0.99 0.70 0.00 0.00 175.22 177.85 1x4r s THR 69 N -1.49 5.17 -0.33 0.64 2.01 0.53 -1.06 115.64 121.11 1x4r s THR 69 Ca 0.03 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.10 1x4r s THR 69 Cb -0.09 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 1x4r s THR 69 CO 0.03 -0.51 0.40 -0.69 -0.69 0.00 0.00 174.62 173.16 1x4r s VAL 70 N 1.86 5.13 -0.24 3.82 1.01 -0.42 -1.06 120.40 130.50 1x4r s VAL 70 Ca 0.07 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.07 1x4r s VAL 70 Cb -0.21 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1x4r s VAL 70 CO 0.09 -0.09 0.46 -0.62 0.00 0.00 0.00 175.10 174.94 1x4r s ASP 71 N 1.73 6.41 0.07 3.32 -1.08 -0.56 -0.10 116.67 126.46 1x4r s ASP 71 Ca 0.14 0.49 -0.15 0.00 -0.52 0.00 0.00 52.55 52.51 1x4r s ASP 71 Cb -0.16 -2.26 -0.16 0.00 -1.46 0.00 0.00 42.92 38.88 1x4r s ASP 71 CO 0.12 -0.20 1.27 -0.07 0.52 0.00 0.00 175.17 176.81 1x4r h LEU 72 N 8.35 0.77 -0.83 -1.34 3.38 -1.79 1.31 115.31 125.16 1x4r h LEU 72 Ca -0.32 -0.63 0.14 0.00 0.09 0.00 0.00 57.88 57.17 1x4r h LEU 72 Cb 1.15 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.53 1x4r h LEU 72 CO 0.70 1.27 -0.33 -1.28 0.09 0.00 0.00 178.44 178.90 1x4r h SER 73 N 0.32 -1.18 0.00 -0.43 0.87 -1.84 -2.14 113.55 109.14 1x4r h SER 73 Ca -0.04 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1x4r h SER 73 Cb 1.24 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 1x4r h SER 73 CO 0.13 -0.29 -1.88 1.07 -0.53 0.00 0.00 176.83 175.32 1x4r n THR 74 N -5.48 0.00 -2.56 2.23 5.66 -1.24 -5.02 114.28 107.86 1x4r n THR 74 Ca 0.09 -0.44 -0.08 0.00 -3.05 0.00 0.00 64.05 60.57 1x4r n THR 74 Cb 0.40 0.07 0.04 0.00 -1.55 0.00 0.00 70.33 69.28 1x4r n THR 74 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1x4r n ASN 75 N -2.17 -2.59 -3.81 1.09 4.13 0.44 -4.92 115.26 107.43 1x4r n ASN 75 Ca -0.03 -0.30 -0.13 0.00 1.68 0.00 0.00 54.58 55.80 1x4r n ASN 75 Cb 0.51 -2.64 -0.14 0.00 -1.54 0.00 0.00 39.78 35.96 1x4r n ASN 75 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1x4r s THR 76 N -3.17 -0.03 0.17 3.41 2.01 -0.63 -0.65 115.64 116.75 1x4r s THR 76 Ca 0.06 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.07 1x4r s THR 76 Cb -0.01 -0.10 -0.06 0.00 0.01 0.00 0.00 72.50 72.34 1x4r s THR 76 CO 0.34 0.04 0.47 0.00 -0.69 0.00 0.00 174.62 174.78 1x4r s ALA 77 N 0.56 3.66 -0.08 7.40 0.00 0.19 -1.50 121.76 132.00 1x4r s ALA 77 Ca -0.04 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 1x4r s ALA 77 Cb -0.06 -2.32 0.04 0.00 0.00 0.00 0.00 23.12 20.77 1x4r s ALA 77 CO -0.02 0.56 0.39 0.99 0.00 0.00 0.00 175.76 177.68 1x4r s THR 78 N -1.66 0.03 0.07 0.00 2.01 -0.22 -1.13 115.64 114.74 1x4r s THR 78 Ca 0.42 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1x4r s THR 78 Cb -0.12 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1x4r s THR 78 CO 0.21 -0.12 -0.08 0.00 -0.69 0.00 0.00 174.62 173.95 1x4r s ALA 79 N -0.60 0.78 -2.00 7.40 0.00 -0.92 -0.35 121.76 126.07 1x4r s ALA 79 Ca -0.07 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 50.99 1x4r s ALA 79 Cb -0.04 0.07 0.62 0.00 0.00 0.00 0.00 23.12 23.78 1x4r s ALA 79 CO 0.03 -0.08 1.06 -0.35 0.00 0.00 0.00 175.76 176.42 1x4r n PRO 80 N 0.89 0.49 0.03 0.00 -0.04 -1.26 -2.67 135.00 132.43 1x4r n PRO 80 Ca -0.19 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.06 1x4r n PRO 80 Cb 0.57 -1.33 -0.14 0.00 -0.04 0.00 0.00 33.50 32.55 1x4r n PRO 80 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1x4r h GLN 81 N 0.00 0.31 0.00 0.54 4.20 -1.95 -3.48 115.11 114.73 1x4r h GLN 81 Ca 0.00 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1x4r h GLN 81 Cb 0.00 0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1x4r h GLN 81 CO 0.00 1.24 0.00 0.41 -0.67 0.00 0.00 178.83 179.81 1x4r n GLY 82 N 1.93 1.02 2.95 3.46 0.00 -1.09 -5.15 105.19 108.31 1x4r n GLY 82 Ca -0.28 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 1x4r n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x4r s GLN 83 N 0.00 0.69 0.02 1.61 1.11 -1.26 -5.04 119.66 116.79 1x4r s GLN 83 Ca 0.00 -0.20 0.02 0.00 0.01 0.00 0.00 55.36 55.19 1x4r s GLN 83 Cb 0.00 -0.67 -0.01 0.00 -1.01 0.00 0.00 33.01 31.31 1x4r s GLN 83 CO 0.00 0.07 -0.07 0.95 0.01 0.00 0.00 175.29 176.25 1x4r s THR 84 N 0.24 0.50 0.32 -0.19 -4.23 -1.26 -2.17 115.64 108.85 1x4r s THR 84 Ca -0.03 -0.66 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1x4r s THR 84 Cb -0.07 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.23 1x4r s THR 84 CO -0.00 -0.12 0.18 -0.36 -0.54 0.00 0.00 174.62 173.78 1x4r s PHE 85 N -0.75 1.63 -0.14 3.99 0.08 -0.28 -4.48 117.98 118.03 1x4r s PHE 85 Ca -0.04 -1.43 0.02 0.00 0.12 0.00 0.00 56.93 55.61 1x4r s PHE 85 Cb -0.06 -0.84 0.01 0.00 -0.57 0.00 0.00 43.02 41.56 1x4r s PHE 85 CO 0.00 -0.58 -0.19 0.99 -0.10 0.00 0.00 175.22 175.34 1x4r s THR 86 N -3.56 1.90 -0.12 0.64 2.01 -1.07 0.56 115.64 116.00 1x4r s THR 86 Ca 0.36 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 1x4r s THR 86 Cb 0.04 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1x4r s THR 86 CO 0.19 0.52 0.26 0.68 -0.69 0.00 0.00 174.62 175.58 1x4r s VAL 87 N 1.02 5.31 0.02 3.82 -7.23 0.17 0.37 120.40 123.88 1x4r s VAL 87 Ca -0.03 0.48 0.06 0.00 -1.81 0.00 0.00 61.98 60.68 1x4r s VAL 87 Cb -0.15 -3.57 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 1x4r s VAL 87 CO -0.05 0.49 -0.18 0.00 -0.31 0.00 0.00 175.10 175.05 1x4r s GLN 88 N -0.26 1.34 -0.24 4.82 -2.07 -0.29 -4.68 119.66 118.28 1x4r s GLN 88 Ca 0.17 -0.78 -0.11 0.00 -1.82 0.00 0.00 55.36 52.81 1x4r s GLN 88 Cb -0.13 -1.37 -0.05 0.00 -1.09 0.00 0.00 33.01 30.37 1x4r s GLN 88 CO 0.05 0.36 0.20 0.50 -1.32 0.00 0.00 175.29 175.09 1x4r s ARG 89 N -0.85 4.07 -0.08 9.60 3.52 -1.26 -2.80 118.95 131.14 1x4r s ARG 89 Ca 0.06 -0.20 -0.00 0.00 -0.13 0.00 0.00 55.73 55.46 1x4r s ARG 89 Cb -0.08 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.78 1x4r s ARG 89 CO 0.01 0.00 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.94 1x4r s LEU 90 N 1.23 1.05 0.10 -0.88 1.02 -0.24 -5.02 118.68 115.94 1x4r s LEU 90 Ca 0.09 -0.20 -0.30 0.00 0.02 0.00 0.00 54.13 53.74 1x4r s LEU 90 Cb -0.14 -0.64 -0.06 0.00 0.02 0.00 0.00 46.19 45.38 1x4r s LEU 90 CO 0.06 -0.12 1.00 0.54 0.02 0.00 0.00 176.35 177.85 1x4r s VAL 91 N 1.55 4.42 -0.83 -1.59 0.11 -1.26 -0.09 120.40 122.72 1x4r s VAL 91 Ca 0.00 1.96 -0.03 0.00 -2.93 0.00 0.00 61.98 60.98 1x4r s VAL 91 Cb -0.13 -4.25 0.21 0.00 -1.53 0.00 0.00 36.38 30.67 1x4r s VAL 91 CO -0.05 0.28 0.71 -0.54 -3.33 0.00 0.00 175.10 172.16 1x4r s LYS 92 N 0.15 3.16 -0.80 1.54 -0.14 -1.26 -4.89 119.74 117.50 1x4r s LYS 92 Ca 0.49 -3.02 -0.16 0.00 -1.36 0.00 0.00 55.97 51.91 1x4r s LYS 92 Cb -0.24 -3.96 0.17 0.00 -1.68 0.00 0.00 37.83 32.12 1x4r s LYS 92 CO 0.30 -1.24 0.84 0.00 -0.76 0.00 0.00 175.35 174.49 1x4r s ALA 93 N -0.90 3.75 -0.47 5.17 0.00 -1.26 -4.73 121.76 123.31 1x4r s ALA 93 Ca 0.24 -2.94 -0.17 0.00 0.00 0.00 0.00 51.96 49.09 1x4r s ALA 93 Cb -0.11 -3.65 0.06 0.00 0.00 0.00 0.00 23.12 19.41 1x4r s ALA 93 CO -0.09 -2.47 0.48 -1.54 0.00 0.00 0.00 175.76 172.14 1x4r s SER 94 N 2.91 6.18 0.00 0.00 1.04 -1.26 -5.05 113.70 117.52 1x4r s SER 94 Ca 0.20 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1x4r s SER 94 Cb -0.12 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1x4r s SER 94 CO -0.06 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1x4r n GLY 95 N 5.17 1.23 0.06 7.32 0.00 -1.26 -5.03 105.19 112.68 1x4r n GLY 95 Ca -0.09 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 1x4r n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4r h PRO 96 N 0.00 -0.02 -5.37 1.61 0.13 -2.07 -3.45 132.00 122.82 1x4r h PRO 96 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 1x4r h PRO 96 Cb 0.00 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 1x4r h PRO 96 CO 0.00 0.46 -0.79 0.45 -0.23 0.00 0.00 178.00 177.89 1x4r s SER 97 N -5.66 1.70 0.12 1.44 0.15 -1.26 -5.16 113.70 105.04 1x4r s SER 97 Ca -0.16 -0.54 -0.09 0.00 0.70 0.00 0.00 55.95 55.86 1x4r s SER 97 Cb 0.02 -0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1x4r s SER 97 CO 0.66 -0.01 0.24 -0.44 1.20 0.00 0.00 173.24 174.89 1x4r s SER 98 N -1.44 0.06 0.00 5.45 0.01 -1.26 -5.15 113.70 111.38 1x4r s SER 98 Ca 0.00 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1x4r s SER 98 Cb -0.09 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1x4r s SER 98 CO 0.02 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.48