#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4r s SER 2 N 0.00 4.41 0.07 1.61 0.01 -1.26 -5.10 113.70 113.44 1x4r s SER 2 Ca 0.00 -2.48 0.02 0.00 1.31 0.00 0.00 55.95 54.80 1x4r s SER 2 Cb 0.00 -1.50 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 1x4r s SER 2 CO 0.00 -0.32 0.12 -0.44 0.41 0.00 0.00 173.24 173.01 1x4r s SER 3 N 0.46 5.77 0.11 2.44 0.01 -1.26 -5.09 113.70 116.14 1x4r s SER 3 Ca 0.14 0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.17 1x4r s SER 3 Cb -0.22 -1.62 -0.06 0.00 0.21 0.00 0.00 66.02 64.33 1x4r s SER 3 CO -0.06 0.17 1.00 -0.83 0.41 0.00 0.00 173.24 173.94 1x4r s GLY 4 N -2.41 2.93 0.01 3.44 0.00 -1.26 -4.93 107.32 105.11 1x4r s GLY 4 Ca 0.31 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1x4r s GLY 4 CO 0.24 1.55 0.00 -1.14 0.00 0.00 0.00 173.10 173.75 1x4r n SER 5 N 2.91 0.07 -4.72 1.64 3.41 -1.26 -5.04 113.62 110.63 1x4r n SER 5 Ca 0.03 0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 1x4r n SER 5 Cb 0.49 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1x4r n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4r s SER 6 N -5.06 6.47 0.41 4.04 0.15 -1.26 -5.00 113.70 113.44 1x4r s SER 6 Ca 0.00 2.78 0.08 0.00 0.70 0.00 0.00 55.95 59.50 1x4r s SER 6 Cb 0.00 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1x4r s SER 6 CO 0.00 -0.90 0.39 -0.83 1.20 0.00 0.00 173.24 173.10 1x4r s GLY 7 N 1.06 2.08 -0.15 9.45 0.00 -1.26 -5.14 107.32 113.37 1x4r s GLY 7 Ca 0.71 -1.84 -0.31 0.00 0.00 0.00 0.00 44.72 43.28 1x4r s GLY 7 CO 0.34 -1.66 1.07 1.25 0.00 0.00 0.00 173.10 174.10 1x4r s LYS 8 N -4.15 0.51 1.07 2.90 2.47 -1.26 -5.17 119.74 116.11 1x4r s LYS 8 Ca 0.48 -0.04 -0.12 0.00 -1.56 0.00 0.00 55.97 54.74 1x4r s LYS 8 Cb -0.04 0.24 0.23 0.00 -1.46 0.00 0.00 37.83 36.80 1x4r s LYS 8 CO 0.28 -0.19 1.07 -1.54 0.16 0.00 0.00 175.35 175.13 1x4r s SER 9 N -1.66 1.70 0.69 1.43 1.04 -1.26 -4.98 113.70 110.66 1x4r s SER 9 Ca 0.04 1.75 -0.12 0.00 0.48 0.00 0.00 55.95 58.10 1x4r s SER 9 Cb -0.01 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.73 1x4r s SER 9 CO -0.04 -3.79 1.07 0.27 0.98 0.00 0.00 173.24 171.74 1x4r s ILE 10 N -2.54 3.76 -0.18 -1.02 -5.25 -1.26 -5.00 121.20 109.71 1x4r s ILE 10 Ca 0.68 0.64 -0.03 0.00 -0.99 0.00 0.00 60.65 60.95 1x4r s ILE 10 Cb -0.24 -3.26 -0.22 0.00 2.95 0.00 0.00 42.46 41.69 1x4r s ILE 10 CO 0.62 -0.68 0.10 0.54 -1.79 0.00 0.00 174.94 173.73 1x4r n ARG 11 N -2.95 0.71 -3.62 0.37 1.74 -1.26 -5.02 116.66 106.63 1x4r n ARG 11 Ca 0.08 0.21 -0.12 0.00 -0.77 0.00 0.00 57.85 57.26 1x4r n ARG 11 Cb 0.53 -1.63 -0.05 0.00 -1.02 0.00 0.00 32.46 30.30 1x4r n ARG 11 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1x4r s LEU 12 N -6.79 0.26 0.30 0.55 -0.00 -1.26 -5.18 118.68 106.55 1x4r s LEU 12 Ca -0.28 -0.11 0.09 0.00 -0.00 0.00 0.00 54.13 53.82 1x4r s LEU 12 Cb 0.08 1.90 -0.04 0.00 -0.00 0.00 0.00 46.19 48.13 1x4r s LEU 12 CO 0.70 -0.78 0.10 0.00 -0.00 0.00 0.00 176.35 176.36 1x4r s ALA 13 N -3.15 3.39 -1.18 1.48 0.00 -1.26 -4.66 121.76 116.38 1x4r s ALA 13 Ca -0.01 -1.68 -0.07 0.00 0.00 0.00 0.00 51.96 50.20 1x4r s ALA 13 Cb 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1x4r s ALA 13 CO -0.07 0.16 1.02 1.63 0.00 0.00 0.00 175.76 178.50 1x4r n LYS 14 N -1.06 -6.87 -0.04 0.00 5.02 -1.26 -4.92 118.16 109.03 1x4r n LYS 14 Ca -0.05 0.73 -0.10 0.00 -2.02 0.00 0.00 58.31 56.87 1x4r n LYS 14 Cb 0.60 -5.49 -0.04 0.00 -0.02 0.00 0.00 35.03 30.08 1x4r n LYS 14 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1x4r h GLU 15 N -2.29 0.23 -0.21 1.97 4.81 -2.05 -2.40 114.58 114.65 1x4r h GLU 15 Ca -0.51 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 1x4r h GLU 15 Cb 1.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1x4r h GLU 15 CO 0.49 0.21 0.10 0.87 -0.73 0.00 0.00 179.01 179.94 1x4r h LYS 16 N 0.19 0.28 -1.71 1.92 1.57 -1.99 -2.66 116.57 114.17 1x4r h LYS 16 Ca 0.06 -0.02 0.50 0.00 -1.87 0.00 0.00 60.65 59.31 1x4r h LYS 16 Cb 0.04 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 1x4r h LYS 16 CO -0.01 0.22 1.26 -1.91 -0.57 0.00 0.00 179.45 178.44 1x4r n GLU 17 N -4.46 0.00 -0.26 3.15 4.07 -0.90 0.41 120.64 122.64 1x4r n GLU 17 Ca 0.00 0.96 0.07 0.00 -0.06 0.00 0.00 57.16 58.13 1x4r n GLU 17 Cb 0.11 -2.22 0.19 0.00 -0.06 0.00 0.00 31.44 29.46 1x4r n GLU 17 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1x4r h SER 18 N 0.00 -0.17 0.02 4.31 0.02 -1.63 -0.40 113.55 115.70 1x4r h SER 18 Ca 0.81 0.18 -0.24 0.00 -0.84 0.00 0.00 61.79 61.70 1x4r h SER 18 Cb 3.32 0.28 0.02 0.00 0.14 0.00 0.00 62.40 66.16 1x4r h SER 18 CO -0.01 -0.13 -0.96 0.06 -1.14 0.00 0.00 176.83 174.64 1x4r h GLN 19 N 0.17 0.62 -0.16 3.45 3.07 -0.31 -3.29 115.11 118.66 1x4r h GLN 19 Ca 0.44 -0.69 0.03 0.00 0.09 0.00 0.00 58.65 58.52 1x4r h GLN 19 Cb 0.80 0.20 -0.06 0.00 0.08 0.00 0.00 27.48 28.51 1x4r h GLN 19 CO -0.62 1.28 -0.46 0.00 0.09 0.00 0.00 178.83 179.13 1x4r h ALA 20 N 0.36 -0.80 -0.92 0.06 0.00 -1.11 -0.43 119.26 116.42 1x4r h ALA 20 Ca -0.13 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 54.99 1x4r h ALA 20 Cb 1.64 0.97 -0.13 0.00 0.00 0.00 0.00 17.79 20.26 1x4r h ALA 20 CO 0.19 -0.97 0.39 -0.44 0.00 0.00 0.00 179.25 178.41 1x4r h ASP 21 N -0.46 0.28 0.27 0.00 5.19 -1.37 -0.54 116.42 119.80 1x4r h ASP 21 Ca 0.03 0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1x4r h ASP 21 Cb 0.55 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.22 1x4r h ASP 21 CO -0.39 -0.06 -0.24 0.22 -3.12 0.00 0.00 179.24 175.65 1x4r h TYR 22 N 0.34 -0.62 -0.99 4.55 5.03 -1.19 -2.71 116.97 121.38 1x4r h TYR 22 Ca 0.59 0.00 0.23 0.00 2.58 0.00 0.00 58.73 62.13 1x4r h TYR 22 Cb 1.19 0.24 -0.19 0.00 1.55 0.00 0.00 36.73 39.52 1x4r h TYR 22 CO -0.15 -0.35 -0.13 -0.89 -1.32 0.00 0.00 178.16 175.32 1x4r n ILE 23 N -5.36 -0.42 -0.32 1.81 5.41 -0.22 0.72 119.36 120.98 1x4r n ILE 23 Ca -0.09 2.23 0.29 0.00 1.00 0.00 0.00 62.75 66.18 1x4r n ILE 23 Cb 0.27 -3.16 0.54 0.00 -0.71 0.00 0.00 39.64 36.58 1x4r n ILE 23 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1x4r n SER 24 N -5.56 0.27 -0.33 4.38 7.64 -1.02 -0.21 113.62 118.78 1x4r n SER 24 Ca 0.19 1.67 0.28 0.00 1.01 0.00 0.00 58.87 62.02 1x4r n SER 24 Cb 0.61 -0.78 0.47 0.00 -1.01 0.00 0.00 64.21 63.50 1x4r n SER 24 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1x4r n THR 25 N -5.30 -0.17 -3.92 0.44 5.66 0.22 -2.96 114.28 108.26 1x4r n THR 25 Ca 0.35 1.23 -0.30 0.00 -3.05 0.00 0.00 64.05 62.28 1x4r n THR 25 Cb 1.20 -2.01 -0.15 0.00 -1.55 0.00 0.00 70.33 67.81 1x4r n THR 25 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1x4r s TYR 26 N -4.71 2.77 0.09 1.09 1.13 0.70 -5.10 117.35 113.34 1x4r s TYR 26 Ca -0.05 -2.27 -0.18 0.00 -1.41 0.00 0.00 57.07 53.16 1x4r s TYR 26 Cb 0.21 -2.16 0.04 0.00 -1.10 0.00 0.00 41.96 38.95 1x4r s TYR 26 CO 0.56 -0.88 0.43 0.54 -2.51 0.00 0.00 175.55 173.70 1x4r s VAL 27 N 1.25 0.06 -0.05 -3.49 0.11 -1.15 -4.26 120.40 112.86 1x4r s VAL 27 Ca 0.05 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 1x4r s VAL 27 Cb -0.18 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1x4r s VAL 27 CO -0.12 -0.26 -0.14 -0.70 -3.33 0.00 0.00 175.10 170.54 1x4r s GLU 28 N -3.26 1.68 -0.16 1.54 2.12 -0.34 -4.88 118.70 115.40 1x4r s GLU 28 Ca -0.01 -0.50 -0.01 0.00 0.36 0.00 0.00 54.97 54.81 1x4r s GLU 28 Cb 0.01 -1.43 0.04 0.00 0.26 0.00 0.00 34.13 33.01 1x4r s GLU 28 CO -0.08 0.14 -0.03 -1.58 -0.54 0.00 0.00 175.26 173.17 1x4r s TRP 29 N 0.30 1.49 0.12 5.30 0.52 -1.26 -1.78 118.94 123.63 1x4r s TRP 29 Ca -0.08 -0.94 0.08 0.00 0.02 0.00 0.00 56.10 55.18 1x4r s TRP 29 Cb -0.13 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1x4r s TRP 29 CO 0.03 -0.58 -0.19 -0.65 0.02 0.00 0.00 176.95 175.57 1x4r s GLN 30 N 1.70 1.16 0.03 4.98 -0.21 -1.18 -2.59 119.66 123.55 1x4r s GLN 30 Ca 0.01 -1.24 0.08 0.00 0.02 0.00 0.00 55.36 54.22 1x4r s GLN 30 Cb -0.15 -1.32 -0.03 0.00 1.00 0.00 0.00 33.01 32.51 1x4r s GLN 30 CO -0.07 0.29 -0.22 1.52 -2.12 0.00 0.00 175.29 174.69 1x4r s TYR 31 N -1.53 2.45 -0.46 0.91 1.13 -0.49 -1.60 117.35 117.77 1x4r s TYR 31 Ca 0.09 -0.33 -0.16 0.00 -1.41 0.00 0.00 57.07 55.26 1x4r s TYR 31 Cb -0.08 -1.46 0.06 0.00 -1.10 0.00 0.00 41.96 39.38 1x4r s TYR 31 CO 0.05 0.16 0.42 0.42 -2.51 0.00 0.00 175.55 174.09 1x4r s ILE 32 N -0.82 5.17 0.86 -3.49 1.09 0.13 -2.10 121.20 122.05 1x4r s ILE 32 Ca 0.13 -0.83 -0.12 0.00 -1.10 0.00 0.00 60.65 58.73 1x4r s ILE 32 Cb -0.10 -4.11 0.11 0.00 -1.06 0.00 0.00 42.46 37.30 1x4r s ILE 32 CO 0.03 -0.55 1.12 -0.62 -0.10 0.00 0.00 174.94 174.82 1x4r s ASP 33 N 2.36 3.90 0.00 3.58 2.15 0.72 -2.71 116.67 126.67 1x4r s ASP 33 Ca 0.07 1.15 0.00 0.00 0.43 0.00 0.00 52.55 54.19 1x4r s ASP 33 Cb -0.22 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.60 1x4r s ASP 33 CO 0.09 -2.33 0.32 0.29 -0.17 0.00 0.00 175.17 173.37 1x4r n LYS 34 N -3.64 0.00 -0.10 4.34 4.76 -1.26 -2.42 118.16 119.83 1x4r n LYS 34 Ca 0.07 0.32 0.08 0.00 -2.87 0.00 0.00 58.31 55.90 1x4r n LYS 34 Cb 0.58 -0.52 0.11 0.00 -1.84 0.00 0.00 35.03 33.36 1x4r n LYS 34 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x4r n ASN 35 N -1.73 2.09 -4.11 4.39 2.85 -1.26 -5.03 115.26 112.47 1x4r n ASN 35 Ca 0.00 -2.86 -0.17 0.00 -0.11 0.00 0.00 54.58 51.44 1x4r n ASN 35 Cb 0.00 -0.36 -0.13 0.00 1.24 0.00 0.00 39.78 40.53 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 -2.40 0.89 -0.37 -1.44 1.09 -1.02 -5.12 121.20 112.83 1x4r s ILE 36 Ca 0.25 -1.01 0.01 0.00 -1.10 0.00 0.00 60.65 58.81 1x4r s ILE 36 Cb 0.22 -0.85 0.10 0.00 -1.06 0.00 0.00 42.46 40.88 1x4r s ILE 36 CO 0.02 -0.14 0.11 -0.89 -0.10 0.00 0.00 174.94 173.95 1x4r s THR 37 N -1.01 2.68 0.55 2.92 2.01 -1.26 0.26 115.64 121.78 1x4r s THR 37 Ca -0.02 -2.25 0.03 0.00 0.31 0.00 0.00 61.69 59.76 1x4r s THR 37 Cb -0.08 -2.91 0.03 0.00 0.01 0.00 0.00 72.50 69.54 1x4r s THR 37 CO 0.01 -0.64 0.27 -1.10 -0.69 0.00 0.00 174.62 172.47 1x4r s GLN 38 N 0.98 2.23 0.24 4.92 -1.52 -0.89 -4.97 119.66 120.66 1x4r s GLN 38 Ca 0.10 -2.20 0.07 0.00 -1.95 0.00 0.00 55.36 51.38 1x4r s GLN 38 Cb -0.21 -1.88 -0.05 0.00 -0.22 0.00 0.00 33.01 30.65 1x4r s GLN 38 CO -0.06 -0.58 -0.10 0.00 -0.25 0.00 0.00 175.29 174.30 1x4r s PHE 40 N -3.01 3.60 0.31 0.00 0.08 -1.07 -4.85 117.98 113.04 1x4r s PHE 40 Ca 0.26 1.13 -0.28 0.00 0.12 0.00 0.00 56.93 58.16 1x4r s PHE 40 Cb 0.02 -2.58 -0.09 0.00 -0.57 0.00 0.00 43.02 39.80 1x4r s PHE 40 CO 0.09 -0.53 1.06 0.16 -0.10 0.00 0.00 175.22 175.90 1x4r s ASP 41 N -4.10 7.18 0.58 1.36 -4.77 -1.26 -4.61 116.67 111.04 1x4r s ASP 41 Ca 0.52 2.15 0.26 0.00 -3.30 0.00 0.00 52.55 52.19 1x4r s ASP 41 Cb -0.11 -2.61 0.89 0.00 -1.09 0.00 0.00 42.92 40.00 1x4r s ASP 41 CO 0.50 -0.20 1.24 2.29 0.70 0.00 0.00 175.17 179.70 1x4r n LYS 42 N 0.86 0.01 -0.03 2.11 2.85 -1.26 0.16 118.16 122.86 1x4r n LYS 42 Ca 0.01 0.97 -0.14 0.00 -1.05 0.00 0.00 58.31 58.10 1x4r n LYS 42 Cb 0.46 -2.42 -0.11 0.00 -0.65 0.00 0.00 35.03 32.32 1x4r n LYS 42 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 1x4r h MET 43 N 0.00 0.12 0.07 -1.58 2.86 -2.03 -3.35 114.93 111.03 1x4r h MET 43 Ca 0.48 -0.11 -0.25 0.00 -2.06 0.00 0.00 59.70 57.77 1x4r h MET 43 Cb 2.82 0.02 0.02 0.00 0.06 0.00 0.00 31.60 34.53 1x4r h MET 43 CO -0.01 0.79 -1.01 1.15 1.06 0.00 0.00 176.91 178.89 1x4r h THR 44 N -0.51 1.34 -0.72 2.22 2.02 0.12 -3.30 112.91 114.08 1x4r h THR 44 Ca -0.01 -2.33 0.23 0.00 0.77 0.00 0.00 66.41 65.07 1x4r h THR 44 Cb 0.83 2.65 -0.13 0.00 -1.74 0.00 0.00 68.15 69.76 1x4r h THR 44 CO 0.03 0.70 0.14 -3.20 0.37 0.00 0.00 175.52 173.56 1x4r n ASN 45 N -3.94 0.03 -0.02 4.18 2.85 0.78 0.20 115.26 119.35 1x4r n ASN 45 Ca -0.12 1.21 -0.17 0.00 -0.11 0.00 0.00 54.58 55.39 1x4r n ASN 45 Cb 0.88 -0.49 -0.09 0.00 1.24 0.00 0.00 39.78 41.31 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 0.49 -0.43 1.20 -0.00 -1.69 -2.55 114.93 111.94 1x4r h MET 46 Ca 0.49 -0.43 0.13 0.00 -0.00 0.00 0.00 59.70 59.89 1x4r h MET 46 Cb 1.14 0.10 -0.02 0.00 -0.00 0.00 0.00 31.60 32.83 1x4r h MET 46 CO -0.63 1.07 0.58 0.87 -0.00 0.00 0.00 176.91 178.80 1x4r h LYS 47 N 0.05 0.00 0.00 -0.10 1.57 0.22 0.22 116.57 118.54 1x4r h LYS 47 Ca -0.05 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 1x4r h LYS 47 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1x4r h LYS 47 CO 0.11 0.00 -1.13 1.28 -0.57 0.00 0.00 179.45 179.14 1x4r n LEU 48 N -3.44 1.85 -0.21 2.94 4.77 -0.65 -3.86 117.00 118.40 1x4r n LEU 48 Ca 0.08 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 1x4r n LEU 48 Cb 0.75 -0.92 0.44 0.00 -2.33 0.00 0.00 43.42 41.36 1x4r n LEU 48 CO 0.23 0.05 1.21 1.05 -1.33 0.00 0.00 177.39 178.61 1x4r h GLU 49 N -1.00 0.54 -0.56 3.23 4.11 -0.90 -0.79 114.58 119.22 1x4r h GLU 49 Ca -0.26 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.11 1x4r h GLU 49 Cb 1.08 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1x4r h GLU 49 CO -0.16 0.36 0.26 -0.39 0.07 0.00 0.00 179.01 179.14 1x4r h VAL 50 N 0.56 1.21 0.00 -1.06 -1.51 -0.78 -1.32 116.25 113.34 1x4r h VAL 50 Ca 0.40 -0.61 -0.08 0.00 -1.23 0.00 0.00 66.70 65.19 1x4r h VAL 50 Cb 0.77 0.58 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 1x4r h VAL 50 CO -0.16 0.24 -0.36 0.00 -1.23 0.00 0.00 177.57 176.07 1x4r h ALA 51 N 1.09 1.34 -0.08 5.19 0.00 -1.28 0.16 119.26 125.68 1x4r h ALA 51 Ca 0.19 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 1x4r h ALA 51 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1x4r h ALA 51 CO -0.02 0.45 -0.79 2.35 0.00 0.00 0.00 179.25 181.23 1x4r h TRP 52 N 0.00 0.73 0.00 0.00 7.01 -0.86 -0.25 115.95 122.57 1x4r h TRP 52 Ca -0.00 -0.34 -0.17 0.00 2.11 0.00 0.00 58.89 60.49 1x4r h TRP 52 Cb 0.66 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.59 1x4r h TRP 52 CO 0.00 1.13 -0.98 0.87 -2.79 0.00 0.00 178.44 176.67 1x4r h LYS 53 N 0.35 0.00 -0.73 2.65 1.79 -1.02 -3.25 116.57 116.36 1x4r h LYS 53 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1x4r h LYS 53 Cb 1.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 1x4r h LYS 53 CO 0.14 0.58 0.00 0.00 -1.08 0.00 0.00 179.45 179.10 1x4r n ALA 54 N -2.33 2.60 -3.90 3.86 0.00 0.54 -4.85 120.51 116.43 1x4r n ALA 54 Ca -0.03 -0.17 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 1x4r n ALA 54 Cb 0.85 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.03 -3.75 -2.35 0.00 5.02 -1.22 -4.93 118.16 110.90 1x4r n LYS 55 Ca 0.03 0.45 -0.29 0.00 -2.02 0.00 0.00 58.31 56.47 1x4r n LYS 55 Cb 0.27 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.07 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 -6.59 3.59 -0.02 1.97 -0.14 -0.11 -5.01 119.74 113.43 1x4r s LYS 56 Ca 0.63 0.45 0.01 0.00 -1.36 0.00 0.00 55.97 55.69 1x4r s LYS 56 Cb -0.33 -2.26 -0.26 0.00 -1.68 0.00 0.00 37.83 33.30 1x4r s LYS 56 CO 0.77 -0.34 0.74 -0.22 -0.76 0.00 0.00 175.35 175.55 1x4r h LYS 57 N 0.10 0.18 -1.82 1.68 3.11 -1.92 -3.44 116.57 114.45 1x4r h LYS 57 Ca -0.46 -0.30 0.07 0.00 -2.81 0.00 0.00 60.65 57.15 1x4r h LYS 57 Cb 1.20 0.11 -0.20 0.00 -1.00 0.00 0.00 32.23 32.34 1x4r h LYS 57 CO 0.62 0.97 0.48 0.16 -2.81 0.00 0.00 179.45 178.86 1x4r s ASP 58 N -6.75 -0.42 -0.04 4.20 1.47 -1.26 -2.15 116.67 111.73 1x4r s ASP 58 Ca -0.10 0.35 0.03 0.00 1.18 0.00 0.00 52.55 54.01 1x4r s ASP 58 Cb 0.07 0.36 0.01 0.00 -0.34 0.00 0.00 42.92 43.02 1x4r s ASP 58 CO 0.83 -0.46 -0.11 0.28 0.68 0.00 0.00 175.17 176.39 1x4r s THR 59 N -1.65 0.94 0.04 2.11 -1.32 0.12 -4.94 115.64 110.95 1x4r s THR 59 Ca -0.01 -0.43 -0.23 0.00 -1.21 0.00 0.00 61.69 59.81 1x4r s THR 59 Cb -0.01 -0.85 -0.06 0.00 -1.51 0.00 0.00 72.50 70.08 1x4r s THR 59 CO 0.00 0.29 0.68 -0.69 -2.21 0.00 0.00 174.62 172.70 1x4r s VAL 60 N 0.32 4.77 0.02 5.08 1.01 -1.26 -0.88 120.40 129.46 1x4r s VAL 60 Ca -0.06 1.45 -0.03 0.00 0.00 0.00 0.00 61.98 63.34 1x4r s VAL 60 Cb -0.11 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1x4r s VAL 60 CO 0.01 0.42 0.03 0.68 0.00 0.00 0.00 175.10 176.24 1x4r s VAL 61 N -0.31 0.11 -0.48 2.92 -7.23 -0.23 -4.94 120.40 110.24 1x4r s VAL 61 Ca 0.34 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.29 1x4r s VAL 61 Cb -0.20 -0.47 0.03 0.00 0.56 0.00 0.00 36.38 36.30 1x4r s VAL 61 CO 0.21 -0.51 1.16 -1.10 -0.31 0.00 0.00 175.10 174.55 1x4r s GLN 62 N -1.75 3.69 -0.16 4.82 1.11 -1.26 -0.69 119.66 125.42 1x4r s GLN 62 Ca -0.13 0.56 0.01 0.00 0.01 0.00 0.00 55.36 55.81 1x4r s GLN 62 Cb -0.07 -3.93 0.02 0.00 -1.01 0.00 0.00 33.01 28.03 1x4r s GLN 62 CO -0.01 -1.42 -0.17 0.42 0.01 0.00 0.00 175.29 174.11 1x4r s ILE 63 N 4.58 1.80 -1.09 1.08 1.01 0.19 -4.69 121.20 124.07 1x4r s ILE 63 Ca 0.49 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 1x4r s ILE 63 Cb -0.07 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1x4r s ILE 63 CO 0.32 0.49 0.44 1.41 0.00 0.00 0.00 174.94 177.60 1x4r n HIS 64 N 4.70 -1.40 -2.09 3.97 8.25 -1.26 -2.18 115.22 125.21 1x4r n HIS 64 Ca -0.19 0.38 -0.14 0.00 -0.26 0.00 0.00 57.72 57.51 1x4r n HIS 64 Cb 0.50 -3.48 -0.02 0.00 1.12 0.00 0.00 29.99 28.12 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 -1.25 -4.36 -3.74 0.41 5.15 -1.26 -5.00 115.26 105.21 1x4r n ASN 65 Ca -0.08 0.06 -0.12 0.00 -0.60 0.00 0.00 54.58 53.84 1x4r n ASN 65 Cb 0.58 -3.44 -0.12 0.00 -0.53 0.00 0.00 39.78 36.27 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 -4.40 0.25 0.21 1.20 -2.07 -0.93 -5.13 119.66 108.79 1x4r s GLN 66 Ca 0.00 0.50 -0.31 0.00 -1.82 0.00 0.00 55.36 53.73 1x4r s GLN 66 Cb 0.00 -0.04 -0.11 0.00 -1.09 0.00 0.00 33.01 31.77 1x4r s GLN 66 CO 0.00 -0.13 1.64 0.16 -1.32 0.00 0.00 175.29 175.64 1x4r s ASP 67 N 0.95 6.47 0.13 12.60 1.47 -1.26 -0.64 116.67 136.39 1x4r s ASP 67 Ca -0.07 2.78 0.06 0.00 1.18 0.00 0.00 52.55 56.50 1x4r s ASP 67 Cb -0.08 -2.60 -0.04 0.00 -0.34 0.00 0.00 42.92 39.86 1x4r s ASP 67 CO -0.06 -0.90 -0.13 -0.36 0.68 0.00 0.00 175.17 174.39 1x4r s PHE 68 N 0.96 1.41 -0.35 2.11 0.40 0.14 -4.76 117.98 117.89 1x4r s PHE 68 Ca 0.71 -0.59 -0.08 0.00 -0.60 0.00 0.00 56.93 56.37 1x4r s PHE 68 Cb -0.47 -0.72 0.04 0.00 0.51 0.00 0.00 43.02 42.37 1x4r s PHE 68 CO 0.34 0.16 0.13 0.99 0.70 0.00 0.00 175.22 177.54 1x4r s THR 69 N -2.41 4.01 -0.34 0.64 2.01 0.49 -1.07 115.64 118.97 1x4r s THR 69 Ca 0.11 -1.05 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 1x4r s THR 69 Cb -0.03 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 1x4r s THR 69 CO 0.03 -0.19 0.42 -0.69 -0.69 0.00 0.00 174.62 173.50 1x4r s VAL 70 N 1.45 5.11 -0.30 3.82 1.01 -0.06 -1.19 120.40 130.24 1x4r s VAL 70 Ca -0.01 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 1x4r s VAL 70 Cb -0.19 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1x4r s VAL 70 CO 0.04 -0.13 0.53 -0.62 0.00 0.00 0.00 175.10 174.92 1x4r s ASP 71 N 1.74 6.39 0.07 3.32 -1.08 -0.61 0.16 116.67 126.65 1x4r s ASP 71 Ca 0.15 0.31 -0.17 0.00 -0.52 0.00 0.00 52.55 52.32 1x4r s ASP 71 Cb -0.16 -2.28 -0.13 0.00 -1.46 0.00 0.00 42.92 38.88 1x4r s ASP 71 CO 0.12 -0.38 1.33 -0.07 0.52 0.00 0.00 175.17 176.69 1x4r h LEU 72 N 8.94 0.65 -0.73 -1.34 3.38 -1.73 1.80 115.31 126.28 1x4r h LEU 72 Ca -0.28 -0.55 0.13 0.00 0.09 0.00 0.00 57.88 57.27 1x4r h LEU 72 Cb 1.13 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.56 1x4r h LEU 72 CO 0.74 1.08 -0.33 0.28 0.09 0.00 0.00 178.44 180.31 1x4r h SER 73 N 0.25 -1.17 0.12 -0.43 0.02 -1.85 -2.22 113.55 108.27 1x4r h SER 73 Ca 0.01 0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1x4r h SER 73 Cb 0.97 0.61 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 1x4r h SER 73 CO 0.08 -0.29 -1.95 1.07 -1.14 0.00 0.00 176.83 174.60 1x4r n THR 74 N -5.46 0.34 -2.50 -2.27 5.66 -1.23 -5.02 114.28 103.80 1x4r n THR 74 Ca 0.07 -0.57 -0.07 0.00 -3.05 0.00 0.00 64.05 60.42 1x4r n THR 74 Cb 0.38 -0.14 0.04 0.00 -1.55 0.00 0.00 70.33 69.05 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 -2.41 -2.75 -3.79 1.09 4.13 0.61 -4.92 115.26 107.22 1x4r n ASN 75 Ca -0.09 -0.29 -0.13 0.00 1.68 0.00 0.00 54.58 55.75 1x4r n ASN 75 Cb 0.68 -2.56 -0.14 0.00 -1.54 0.00 0.00 39.78 36.22 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 -3.16 -0.03 0.08 3.41 2.01 -0.66 -0.73 115.64 116.57 1x4r s THR 76 Ca 0.07 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 1x4r s THR 76 Cb -0.01 -0.20 -0.06 0.00 0.01 0.00 0.00 72.50 72.24 1x4r s THR 76 CO 0.32 0.04 0.44 0.00 -0.69 0.00 0.00 174.62 174.74 1x4r s ALA 77 N 0.67 3.68 -0.02 7.40 0.00 0.19 -1.58 121.76 132.10 1x4r s ALA 77 Ca -0.05 -0.28 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1x4r s ALA 77 Cb -0.07 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.70 1x4r s ALA 77 CO -0.03 0.52 0.20 0.99 0.00 0.00 0.00 175.76 177.44 1x4r s THR 78 N -1.36 0.06 0.03 0.00 2.01 -0.33 -0.90 115.64 115.15 1x4r s THR 78 Ca 0.33 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 1x4r s THR 78 Cb -0.15 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1x4r s THR 78 CO 0.18 -0.28 -0.03 0.00 -0.69 0.00 0.00 174.62 173.79 1x4r s ALA 79 N -1.12 0.26 -2.00 7.40 0.00 -0.92 -0.38 121.76 125.00 1x4r s ALA 79 Ca -0.12 -0.80 0.11 0.00 0.00 0.00 0.00 51.96 51.15 1x4r s ALA 79 Cb -0.06 0.19 0.64 0.00 0.00 0.00 0.00 23.12 23.89 1x4r s ALA 79 CO 0.02 -0.23 1.08 -0.35 0.00 0.00 0.00 175.76 176.28 1x4r n PRO 80 N 1.10 0.49 0.03 0.00 -0.04 -1.26 -2.60 135.00 132.72 1x4r n PRO 80 Ca -0.21 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 1x4r n PRO 80 Cb 0.57 -1.34 -0.14 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.23 0.00 0.54 1.08 -1.95 -3.48 115.11 111.53 1x4r h GLN 81 Ca 0.00 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1x4r h GLN 81 Cb 0.00 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1x4r h GLN 81 CO 0.00 1.06 0.00 0.41 -0.95 0.00 0.00 178.83 179.35 1x4r n GLY 82 N 1.79 1.32 3.01 3.46 0.00 -1.07 -5.15 105.19 108.55 1x4r n GLY 82 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.01 1.61 -0.21 -1.26 -5.04 119.66 115.44 1x4r s GLN 83 Ca 0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 55.36 55.07 1x4r s GLN 83 Cb 0.00 -0.66 0.00 0.00 1.00 0.00 0.00 33.01 33.35 1x4r s GLN 83 CO 0.00 0.17 0.04 0.95 -2.12 0.00 0.00 175.29 174.33 1x4r s THR 84 N -0.15 0.01 0.34 -0.19 -4.23 -1.26 -2.15 115.64 108.01 1x4r s THR 84 Ca 0.03 -0.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.48 1x4r s THR 84 Cb -0.04 -0.09 -0.04 0.00 1.34 0.00 0.00 72.50 73.68 1x4r s THR 84 CO -0.00 -0.05 0.14 -0.36 -0.54 0.00 0.00 174.62 173.80 1x4r s PHE 85 N -0.13 1.72 -0.15 3.99 0.08 -0.08 -4.60 117.98 118.81 1x4r s PHE 85 Ca -0.02 -1.29 0.02 0.00 0.12 0.00 0.00 56.93 55.76 1x4r s PHE 85 Cb -0.01 -1.02 0.01 0.00 -0.57 0.00 0.00 43.02 41.43 1x4r s PHE 85 CO 0.00 -0.38 -0.20 0.99 -0.10 0.00 0.00 175.22 175.54 1x4r s THR 86 N -3.42 2.25 -0.10 0.64 2.01 -1.10 0.53 115.64 116.45 1x4r s THR 86 Ca 0.32 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 61.30 1x4r s THR 86 Cb 0.05 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 1x4r s THR 86 CO 0.16 0.54 0.25 0.68 -0.69 0.00 0.00 174.62 175.56 1x4r s VAL 87 N 0.88 5.32 -0.03 3.82 -7.23 0.09 0.22 120.40 123.48 1x4r s VAL 87 Ca -0.05 0.47 0.04 0.00 -1.81 0.00 0.00 61.98 60.63 1x4r s VAL 87 Cb -0.15 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.23 1x4r s VAL 87 CO -0.03 0.54 -0.15 0.00 -0.31 0.00 0.00 175.10 175.15 1x4r s GLN 88 N -0.56 1.48 -0.17 4.82 -2.07 -0.63 -4.68 119.66 117.85 1x4r s GLN 88 Ca 0.17 -0.54 -0.12 0.00 -1.82 0.00 0.00 55.36 53.05 1x4r s GLN 88 Cb -0.13 -1.34 -0.05 0.00 -1.09 0.00 0.00 33.01 30.40 1x4r s GLN 88 CO 0.06 0.25 0.22 0.50 -1.32 0.00 0.00 175.29 175.00 1x4r s ARG 89 N -0.07 4.14 -0.01 9.60 3.52 -1.26 -3.11 118.95 131.76 1x4r s ARG 89 Ca -0.00 -0.04 0.03 0.00 -0.13 0.00 0.00 55.73 55.58 1x4r s ARG 89 Cb -0.09 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1x4r s ARG 89 CO 0.01 0.33 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.22 1x4r s LEU 90 N 0.24 2.00 -0.27 -0.88 1.02 -0.74 -5.03 118.68 115.02 1x4r s LEU 90 Ca 0.13 -0.18 -0.15 0.00 0.02 0.00 0.00 54.13 53.95 1x4r s LEU 90 Cb -0.12 -0.52 -0.04 0.00 0.02 0.00 0.00 46.19 45.53 1x4r s LEU 90 CO 0.02 0.12 0.39 -0.69 0.02 0.00 0.00 176.35 176.20 1x4r s VAL 91 N -0.19 5.17 -0.51 -1.59 1.01 -1.26 -1.20 120.40 121.82 1x4r s VAL 91 Ca 0.03 0.60 -0.27 0.00 0.00 0.00 0.00 61.98 62.35 1x4r s VAL 91 Cb -0.04 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1x4r s VAL 91 CO -0.00 0.16 1.05 -0.54 0.00 0.00 0.00 175.10 175.76 1x4r s LYS 92 N 2.05 3.55 -0.20 2.72 -0.14 -1.26 -4.98 119.74 121.48 1x4r s LYS 92 Ca 0.16 0.22 -0.10 0.00 -1.36 0.00 0.00 55.97 54.89 1x4r s LYS 92 Cb -0.16 -3.96 -0.05 0.00 -1.68 0.00 0.00 37.83 31.98 1x4r s LYS 92 CO 0.10 -1.42 0.12 0.00 -0.76 0.00 0.00 175.35 173.39 1x4r s ALA 93 N 4.27 3.64 -0.37 5.17 0.00 -1.26 -4.87 121.76 128.34 1x4r s ALA 93 Ca 0.40 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 1x4r s ALA 93 Cb -0.09 -2.13 0.01 0.00 0.00 0.00 0.00 23.12 20.90 1x4r s ALA 93 CO 0.27 0.15 0.26 -1.12 0.00 0.00 0.00 175.76 175.32 1x4r s SER 94 N 0.38 6.00 0.00 0.00 0.01 -1.26 -4.84 113.70 113.99 1x4r s SER 94 Ca 0.07 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1x4r s SER 94 Cb -0.11 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1x4r s SER 94 CO -0.02 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1x4r n GLY 95 N 5.11 -1.61 3.70 3.44 0.00 -1.26 -5.13 105.19 109.44 1x4r n GLY 95 Ca -0.12 0.72 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 1x4r n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4r s PRO 96 N 0.52 4.30 -0.08 1.61 0.04 -1.26 -5.02 135.00 135.11 1x4r s PRO 96 Ca 0.00 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 1x4r s PRO 96 Cb 0.00 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1x4r s PRO 96 CO 0.00 -0.52 0.08 -1.54 0.04 0.00 0.00 177.00 175.06 1x4r s SER 97 N 1.59 5.81 0.01 6.66 1.04 -1.26 -5.05 113.70 122.51 1x4r s SER 97 Ca 0.65 0.28 -0.34 0.00 0.48 0.00 0.00 55.95 57.02 1x4r s SER 97 Cb -0.34 -1.76 -0.13 0.00 0.10 0.00 0.00 66.02 63.90 1x4r s SER 97 CO 0.28 0.37 1.76 -0.24 0.98 0.00 0.00 173.24 176.39 1x4r n SER 98 N 1.85 3.29 0.00 7.02 2.88 -1.26 -5.32 113.62 122.09 1x4r n SER 98 Ca -0.18 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1x4r n SER 98 Cb 0.54 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1x4r n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42