#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wey s SER 2 N 0.00 3.05 -0.30 1.61 1.04 -1.26 -5.13 113.70 112.72 1wey s SER 2 Ca 0.00 -0.80 -0.18 0.00 0.48 0.00 0.00 55.95 55.45 1wey s SER 2 Cb 0.00 -0.20 0.19 0.00 0.10 0.00 0.00 66.02 66.11 1wey s SER 2 CO 0.00 0.09 1.23 -0.94 0.98 0.00 0.00 173.24 174.59 1wey s SER 3 N -2.37 -0.17 0.31 7.02 1.04 -1.26 -5.04 113.70 113.24 1wey s SER 3 Ca 0.15 0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.83 1wey s SER 3 Cb -0.08 1.18 0.82 0.00 0.10 0.00 0.00 66.02 68.04 1wey s SER 3 CO 0.07 -0.03 1.59 1.23 0.98 0.00 0.00 173.24 177.08 1wey h GLY 4 N 7.28 1.41 -2.52 7.32 0.00 -1.93 -3.45 103.07 111.18 1wey h GLY 4 Ca -0.13 0.07 -0.24 0.00 0.00 0.00 0.00 47.33 47.02 1wey h GLY 4 CO 0.02 -0.52 -0.35 1.44 0.00 0.00 0.00 176.54 177.13 1wey n SER 5 N -5.40 -4.17 -2.91 0.19 7.64 -1.26 -4.77 113.62 102.95 1wey n SER 5 Ca 0.25 -0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.88 1wey n SER 5 Cb 0.81 -3.15 0.03 0.00 -1.01 0.00 0.00 64.21 60.90 1wey n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wey n SER 6 N -0.66 -0.03 -4.97 6.43 7.64 -1.26 -4.71 113.62 116.07 1wey n SER 6 Ca -0.09 -3.02 -0.21 0.00 1.01 0.00 0.00 58.87 56.55 1wey n SER 6 Cb 0.58 0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.92 1wey n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wey s GLY 7 N -2.20 1.37 -0.10 0.23 0.00 -1.26 -1.36 107.32 104.01 1wey s GLY 7 Ca 0.31 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.80 1wey s GLY 7 CO -0.05 -1.14 0.21 1.08 0.00 0.00 0.00 173.10 173.20 1wey s LEU 8 N -4.17 0.26 -0.63 0.66 1.43 -0.42 -2.25 118.68 113.56 1wey s LEU 8 Ca 0.40 0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 53.77 1wey s LEU 8 Cb -0.09 0.55 0.14 0.00 0.03 0.00 0.00 46.19 46.81 1wey s LEU 8 CO 0.32 -0.19 0.65 -0.63 0.23 0.00 0.00 176.35 176.73 1wey s ILE 9 N 1.65 5.12 -0.24 -0.59 -1.09 0.65 -0.19 121.20 126.50 1wey s ILE 9 Ca -0.05 -1.49 -0.15 0.00 -2.23 0.00 0.00 60.65 56.72 1wey s ILE 9 Cb -0.11 -4.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.29 1wey s ILE 9 CO -0.07 -1.02 0.38 0.00 -1.23 0.00 0.00 174.94 172.99 1wey s ALA 10 N 1.79 3.57 -0.39 9.38 0.00 0.12 -0.18 121.76 136.05 1wey s ALA 10 Ca 0.10 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 1wey s ALA 10 Cb -0.23 -2.68 0.01 0.00 0.00 0.00 0.00 23.12 20.22 1wey s ALA 10 CO 0.01 -0.52 0.34 0.00 0.00 0.00 0.00 175.76 175.60 1wey s VAL 12 N 1.89 5.17 -0.21 0.00 1.01 -1.25 -1.15 120.40 125.85 1wey s VAL 12 Ca 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1wey s VAL 12 Cb -0.18 -3.62 -0.20 0.00 0.00 0.00 0.00 36.38 32.38 1wey s VAL 12 CO 0.11 0.14 -0.03 0.00 0.00 0.00 0.00 175.10 175.32 1wey n ALA 13 N 0.42 1.25 -1.77 5.51 0.00 -1.26 -4.85 120.51 119.81 1wey n ALA 13 Ca -0.05 -0.93 -0.39 0.00 0.00 0.00 0.00 53.44 52.07 1wey n ALA 13 Cb 0.52 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 1wey n ALA 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wey s ASN 14 N -6.71 5.00 0.43 0.00 0.01 -1.26 -4.79 114.94 107.62 1wey s ASN 14 Ca -0.31 0.97 0.28 0.00 -0.71 0.00 0.00 52.86 53.09 1wey s ASN 14 Cb 0.08 -2.51 1.50 0.00 0.41 0.00 0.00 41.25 40.73 1wey s ASN 14 CO 0.65 -2.47 1.84 -2.24 -1.51 0.00 0.00 177.10 173.37 1wey h ASP 15 N 16.76 0.00 0.52 -1.22 3.04 -2.00 -0.21 116.42 133.31 1wey h ASP 15 Ca -0.28 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.41 1wey h ASP 15 Cb 1.22 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.49 1wey h ASP 15 CO 1.14 0.00 -0.48 0.44 -2.04 0.00 0.00 179.24 178.30 1wey h ASP 16 N 0.00 0.00 0.00 4.15 3.32 -2.00 -2.72 116.42 119.17 1wey h ASP 16 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wey h ASP 16 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1wey h ASP 16 CO 0.00 0.48 0.04 0.58 -1.72 0.00 0.00 179.24 178.62 1wey h VAL 17 N 0.00 0.00 -1.55 -1.35 2.07 -1.32 -2.81 116.25 111.28 1wey h VAL 17 Ca -0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 1wey h VAL 17 Cb 0.87 0.69 -0.21 0.00 -1.52 0.00 0.00 31.29 31.11 1wey h VAL 17 CO 0.06 0.00 1.00 0.49 0.02 0.00 0.00 177.57 179.14 1wey n PHE 18 N -2.62 2.36 -4.04 1.57 3.01 -1.03 -3.97 117.46 112.74 1wey n PHE 18 Ca -0.02 -2.28 -0.09 0.00 1.01 0.00 0.00 57.45 56.06 1wey n PHE 18 Cb 0.09 -1.36 -0.08 0.00 -0.01 0.00 0.00 39.48 38.12 1wey n PHE 18 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1wey s SER 19 N -0.35 0.17 0.21 4.37 0.01 -1.06 -5.05 113.70 111.99 1wey s SER 19 Ca 0.53 -1.01 0.23 0.00 1.31 0.00 0.00 55.95 57.01 1wey s SER 19 Cb 0.35 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.96 1wey s SER 19 CO -0.26 -0.81 1.06 1.05 0.41 0.00 0.00 173.24 174.69 1wey h GLU 20 N 2.70 0.00 -0.06 12.44 4.11 -1.91 -3.36 114.58 128.51 1wey h GLU 20 Ca -0.33 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.10 1wey h GLU 20 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1wey h GLU 20 CO 0.54 0.00 -0.03 0.43 0.07 0.00 0.00 179.01 180.01 1wey n SER 21 N -2.67 -0.06 0.00 3.06 7.64 -1.26 -4.82 113.62 115.51 1wey n SER 21 Ca 0.00 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1wey n SER 21 Cb 0.55 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1wey n SER 21 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1wey n GLU 22 N -2.96 0.00 -0.53 1.43 2.13 -1.26 -4.96 120.64 114.50 1wey n GLU 22 Ca 0.00 0.00 0.41 0.00 0.66 0.00 0.00 57.16 58.23 1wey n GLU 22 Cb 0.01 0.00 0.64 0.00 0.27 0.00 0.00 31.44 32.36 1wey n GLU 22 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1wey n THR 23 N -0.97 -0.06 0.22 6.31 -1.04 -1.26 0.11 114.28 117.59 1wey n THR 23 Ca 0.00 1.28 -0.15 0.00 -2.04 0.00 0.00 64.05 63.14 1wey n THR 23 Cb 0.00 -2.12 -0.08 0.00 -1.82 0.00 0.00 70.33 66.31 1wey n THR 23 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1wey h ARG 24 N 0.00 -0.52 -0.69 -2.82 2.43 -1.70 -3.12 114.38 107.95 1wey h ARG 24 Ca 0.75 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 60.11 1wey h ARG 24 Cb 2.86 0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 32.41 1wey h ARG 24 CO -0.11 -0.25 -0.02 0.00 -1.51 0.00 0.00 179.97 178.08 1wey h ALA 25 N -0.23 0.67 -1.14 2.80 0.00 0.43 0.35 119.26 122.13 1wey h ALA 25 Ca -0.06 0.22 0.32 0.00 0.00 0.00 0.00 54.91 55.40 1wey h ALA 25 Cb 0.51 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1wey h ALA 25 CO 0.09 -0.41 0.76 0.87 0.00 0.00 0.00 179.25 180.56 1wey h LYS 26 N 0.10 0.22 0.00 0.00 1.57 -1.47 0.87 116.57 117.86 1wey h LYS 26 Ca 0.36 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.97 1wey h LYS 26 Cb 0.61 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1wey h LYS 26 CO -0.61 0.15 -0.96 0.35 -0.57 0.00 0.00 179.45 177.80 1wey h PHE 27 N 0.23 0.00 0.26 -1.35 3.04 -0.36 -3.33 116.94 115.42 1wey h PHE 27 Ca 0.62 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.56 1wey h PHE 27 Cb 1.92 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.43 1wey h PHE 27 CO -0.00 0.65 -0.12 0.93 -2.02 0.00 0.00 178.31 177.75 1wey h GLU 28 N 0.00 -0.33 -0.56 1.11 5.08 0.16 -3.18 114.58 116.86 1wey h GLU 28 Ca -0.07 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.47 1wey h GLU 28 Cb 1.56 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.87 1wey h GLU 28 CO 0.07 -0.04 0.75 0.77 -1.00 0.00 0.00 179.01 179.56 1wey h SER 29 N -1.00 0.00 -0.84 1.42 0.02 -1.02 0.57 113.55 112.70 1wey h SER 29 Ca -0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1wey h SER 29 Cb 0.44 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 1wey h SER 29 CO 0.06 0.00 0.40 -0.07 -1.14 0.00 0.00 176.83 176.07 1wey h LEU 30 N 0.00 1.10 0.01 5.07 3.38 -1.66 -1.32 115.31 121.90 1wey h LEU 30 Ca 0.26 -0.14 -0.40 0.00 0.09 0.00 0.00 57.88 57.70 1wey h LEU 30 Cb 1.76 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 42.17 1wey h LEU 30 CO -0.00 0.93 -2.24 0.49 0.09 0.00 0.00 178.44 177.71 1wey n PHE 31 N -4.30 0.32 -0.21 1.13 3.01 0.17 -4.46 117.46 113.12 1wey n PHE 31 Ca 0.08 0.11 0.01 0.00 1.01 0.00 0.00 57.45 58.66 1wey n PHE 31 Cb 0.15 -1.03 0.12 0.00 -0.01 0.00 0.00 39.48 38.70 1wey n PHE 31 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1wey h ARG 32 N -0.69 0.32 -1.61 -1.08 1.12 -0.90 -0.76 114.38 110.78 1wey h ARG 32 Ca -0.59 -0.02 0.50 0.00 -1.11 0.00 0.00 59.98 58.76 1wey h ARG 32 Cb 1.66 -0.07 -0.10 0.00 -0.01 0.00 0.00 29.97 31.45 1wey h ARG 32 CO -0.27 0.21 1.12 -2.37 -3.11 0.00 0.00 179.97 175.56 1wey n THR 33 N -5.07 -0.09 0.00 0.20 5.66 -0.50 -1.59 114.28 112.89 1wey n THR 33 Ca 0.09 1.49 0.00 0.00 -3.05 0.00 0.00 64.05 62.59 1wey n THR 33 Cb 0.32 -2.47 0.00 0.00 -1.55 0.00 0.00 70.33 66.63 1wey n THR 33 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1wey n TYR 34 N -4.08 0.00 -4.17 1.09 4.01 -0.29 -4.94 117.16 108.77 1wey n TYR 34 Ca 0.40 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.82 1wey n TYR 34 Cb 1.71 -0.43 -0.08 0.00 -0.31 0.00 0.00 39.34 40.23 1wey n TYR 34 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1wey s ASP 35 N -2.97 5.21 0.08 7.72 -1.08 -0.62 -5.01 116.67 119.99 1wey s ASP 35 Ca 0.00 -0.05 0.22 0.00 -0.52 0.00 0.00 52.55 52.20 1wey s ASP 35 Cb 0.00 -1.34 -0.13 0.00 -1.46 0.00 0.00 42.92 39.99 1wey s ASP 35 CO 0.00 0.22 0.82 0.29 0.52 0.00 0.00 175.17 177.02 1wey n LYS 36 N 0.92 0.56 -0.76 4.34 5.02 -1.26 -4.02 118.16 122.97 1wey n LYS 36 Ca -0.12 -0.03 0.03 0.00 -2.02 0.00 0.00 58.31 56.17 1wey n LYS 36 Cb 0.52 -1.66 0.31 0.00 -0.02 0.00 0.00 35.03 34.18 1wey n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wey n ASP 37 N -2.38 4.70 -4.70 4.39 9.92 -1.26 -4.92 116.55 122.30 1wey n ASP 37 Ca -0.01 -2.81 -0.41 0.00 -0.53 0.00 0.00 54.79 51.03 1wey n ASP 37 Cb 0.54 -0.67 -0.04 0.00 -0.64 0.00 0.00 41.12 40.31 1wey n ASP 37 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1wey s THR 38 N -2.45 4.95 -0.14 -3.53 -4.23 -1.26 -4.50 115.64 104.48 1wey s THR 38 Ca 0.44 1.63 -0.06 0.00 -1.18 0.00 0.00 61.69 62.52 1wey s THR 38 Cb 0.34 -4.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 1wey s THR 38 CO 0.12 0.15 0.08 0.42 -0.54 0.00 0.00 174.62 174.85 1wey s THR 39 N 1.35 4.94 -0.08 3.99 -4.23 0.15 -4.92 115.64 116.83 1wey s THR 39 Ca 0.40 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.92 1wey s THR 39 Cb -0.18 -3.17 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 1wey s THR 39 CO 0.18 0.54 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.40 1wey s PHE 40 N -0.33 3.03 -0.26 3.99 0.40 -1.26 -0.08 117.98 123.47 1wey s PHE 40 Ca 0.09 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 1wey s PHE 40 Cb -0.12 -1.76 0.08 0.00 0.51 0.00 0.00 43.02 41.73 1wey s PHE 40 CO 0.02 0.35 0.01 -1.14 0.70 0.00 0.00 175.22 175.16 1wey s GLN 41 N -0.74 1.24 -0.15 0.44 0.74 0.12 -4.95 119.66 116.36 1wey s GLN 41 Ca 0.11 -1.06 -0.18 0.00 0.05 0.00 0.00 55.36 54.28 1wey s GLN 41 Cb -0.11 -2.46 -0.04 0.00 1.10 0.00 0.00 33.01 31.50 1wey s GLN 41 CO 0.02 -0.75 0.50 0.71 -0.55 0.00 0.00 175.29 175.22 1wey s TYR 42 N 1.45 3.46 -0.41 1.67 1.51 -1.26 -0.44 117.35 123.31 1wey s TYR 42 Ca 0.01 0.85 -0.00 0.00 -1.01 0.00 0.00 57.07 56.91 1wey s TYR 42 Cb -0.18 -2.60 0.11 0.00 -0.11 0.00 0.00 41.96 39.18 1wey s TYR 42 CO -0.11 0.06 0.18 -0.06 -1.11 0.00 0.00 175.55 174.50 1wey s PHE 43 N 1.04 3.61 -0.19 2.71 0.08 -0.20 -4.93 117.98 120.10 1wey s PHE 43 Ca 0.25 -2.66 0.27 0.00 0.12 0.00 0.00 56.93 54.91 1wey s PHE 43 Cb -0.15 -3.12 1.25 0.00 -0.57 0.00 0.00 43.02 40.43 1wey s PHE 43 CO 0.10 -0.94 1.80 0.87 -0.10 0.00 0.00 175.22 176.95 1wey h LYS 44 N 7.75 0.00 0.02 0.44 1.57 -1.95 1.06 116.57 125.47 1wey h LYS 44 Ca -0.09 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.48 1wey h LYS 44 Cb 1.02 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.35 1wey h LYS 44 CO 0.65 0.00 -0.83 0.66 -0.57 0.00 0.00 179.45 179.36 1wey h SER 45 N 0.00 0.69 -0.13 0.86 4.64 -1.96 -3.33 113.55 114.32 1wey h SER 45 Ca 0.00 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 1wey h SER 45 Cb 0.22 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1wey h SER 45 CO 0.00 1.38 0.00 0.49 -0.87 0.00 0.00 176.83 177.83 1wey n PHE 46 N -4.05 0.36 -4.52 4.77 3.72 -0.97 -4.97 117.46 111.79 1wey n PHE 46 Ca -0.11 -0.78 -0.42 0.00 -0.05 0.00 0.00 57.45 56.09 1wey n PHE 46 Cb 0.79 -0.16 -0.08 0.00 -0.94 0.00 0.00 39.48 39.09 1wey n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1wey n LYS 47 N -0.65 -0.74 -3.96 -1.08 4.76 0.36 -4.90 118.16 111.95 1wey n LYS 47 Ca 0.14 0.13 -0.23 0.00 -2.87 0.00 0.00 58.31 55.48 1wey n LYS 47 Cb 0.60 -4.58 -0.06 0.00 -1.84 0.00 0.00 35.03 29.15 1wey n LYS 47 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1wey s ARG 48 N -7.25 2.37 -0.13 1.97 0.52 -0.93 -3.96 118.95 111.54 1wey s ARG 48 Ca 0.74 -1.64 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 1wey s ARG 48 Cb -0.43 -2.17 0.05 0.00 0.52 0.00 0.00 34.95 32.92 1wey s ARG 48 CO 1.02 -0.05 0.10 0.08 0.02 0.00 0.00 175.30 176.47 1wey s VAL 49 N -2.50 -0.13 -0.39 3.52 1.01 -0.18 -1.03 120.40 120.71 1wey s VAL 49 Ca 0.42 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 1wey s VAL 49 Cb -0.00 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1wey s VAL 49 CO 0.24 -0.11 0.36 -0.60 0.00 0.00 0.00 175.10 174.99 1wey s ARG 50 N 2.18 3.25 -0.39 2.72 3.52 0.41 0.11 118.95 130.74 1wey s ARG 50 Ca 0.03 -0.70 -0.09 0.00 -0.13 0.00 0.00 55.73 54.85 1wey s ARG 50 Cb -0.15 -3.90 0.06 0.00 -1.56 0.00 0.00 34.95 29.40 1wey s ARG 50 CO -0.07 -0.69 0.22 0.42 -0.81 0.00 0.00 175.30 174.37 1wey s ILE 51 N 1.95 4.15 -0.04 4.11 1.09 0.73 0.14 121.20 133.33 1wey s ILE 51 Ca 0.10 -1.28 -0.15 0.00 -1.10 0.00 0.00 60.65 58.22 1wey s ILE 51 Cb -0.17 -3.48 -0.05 0.00 -1.06 0.00 0.00 42.46 37.70 1wey s ILE 51 CO 0.12 -0.40 0.40 0.20 -0.10 0.00 0.00 174.94 175.16 1wey s ASN 52 N 1.86 6.74 0.51 3.58 -0.87 0.89 -1.30 114.94 126.34 1wey s ASN 52 Ca 0.02 0.87 0.05 0.00 -1.57 0.00 0.00 52.86 52.24 1wey s ASN 52 Cb -0.22 -2.25 0.01 0.00 -0.02 0.00 0.00 41.25 38.78 1wey s ASN 52 CO 0.03 0.24 0.29 -0.36 -2.57 0.00 0.00 177.10 174.72 1wey s PHE 53 N -0.56 1.92 -0.14 2.20 0.40 -0.46 -0.68 117.98 120.66 1wey s PHE 53 Ca 0.23 -0.79 0.20 0.00 -0.60 0.00 0.00 56.93 55.97 1wey s PHE 53 Cb -0.16 -1.89 -0.16 0.00 0.51 0.00 0.00 43.02 41.33 1wey s PHE 53 CO 0.11 -0.21 0.72 0.45 0.70 0.00 0.00 175.22 177.00 1wey n SER 54 N -1.56 0.56 -3.98 1.36 2.88 -1.26 -4.63 113.62 106.99 1wey n SER 54 Ca -0.04 0.23 -0.14 0.00 -1.33 0.00 0.00 58.87 57.59 1wey n SER 54 Cb 0.65 0.77 -0.13 0.00 -0.75 0.00 0.00 64.21 64.74 1wey n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wey s ASN 55 N -5.33 0.58 0.00 -3.46 2.20 -1.26 -4.97 114.94 102.70 1wey s ASN 55 Ca -0.04 -0.26 0.15 0.00 -0.94 0.00 0.00 52.86 51.77 1wey s ASN 55 Cb 0.10 -0.01 0.89 0.00 -2.00 0.00 0.00 41.25 40.23 1wey s ASN 55 CO 0.83 -0.06 1.36 -0.81 -2.94 0.00 0.00 177.10 175.48 1wey n PRO 56 N 2.39 0.43 0.01 3.55 -0.04 -1.26 -3.58 135.00 136.50 1wey n PRO 56 Ca -0.17 0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 1wey n PRO 56 Cb 0.57 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1wey n PRO 56 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1wey h LEU 57 N 0.00 -0.05 -0.65 1.53 3.38 -1.97 -3.37 115.31 114.18 1wey h LEU 57 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1wey h LEU 57 Cb 0.03 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.70 1wey h LEU 57 CO 0.00 0.11 0.13 -1.28 0.09 0.00 0.00 178.44 177.49 1wey h SER 58 N -0.36 -0.03 -0.74 -0.43 0.87 -2.01 -1.02 113.55 109.84 1wey h SER 58 Ca -0.01 0.13 0.31 0.00 -1.23 0.00 0.00 61.79 60.99 1wey h SER 58 Cb 0.05 0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 62.06 1wey h SER 58 CO 0.01 -0.02 0.40 0.00 -0.53 0.00 0.00 176.83 176.69 1wey n ALA 59 N -2.65 0.76 0.25 6.23 0.00 -1.24 0.06 120.51 123.91 1wey n ALA 59 Ca 0.11 0.74 -0.10 0.00 0.00 0.00 0.00 53.44 54.18 1wey n ALA 59 Cb 0.38 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1wey n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wey h ALA 60 N 1.44 -0.77 -0.98 0.00 0.00 -1.33 -3.17 119.26 114.45 1wey h ALA 60 Ca 0.62 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.64 1wey h ALA 60 Cb 1.65 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 19.56 1wey h ALA 60 CO -0.55 -0.72 0.53 -0.44 0.00 0.00 0.00 179.25 178.07 1wey h ASP 61 N -1.01 0.53 -0.55 0.00 3.32 -0.45 0.66 116.42 118.93 1wey h ASP 61 Ca -0.07 0.16 0.13 0.00 0.02 0.00 0.00 57.03 57.27 1wey h ASP 61 Cb 0.51 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1wey h ASP 61 CO 0.11 0.00 0.38 0.00 -1.72 0.00 0.00 179.24 178.02 1wey h ALA 62 N 1.76 2.31 0.31 3.45 0.00 -1.03 -0.26 119.26 125.80 1wey h ALA 62 Ca 0.65 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 1wey h ALA 62 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wey h ALA 62 CO -0.53 -0.46 -0.15 -0.09 0.00 0.00 0.00 179.25 178.02 1wey h ARG 63 N 0.15 -0.40 -0.88 0.00 2.43 0.36 -2.18 114.38 113.86 1wey h ARG 63 Ca 0.26 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.63 1wey h ARG 63 Cb 0.83 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 30.37 1wey h ARG 63 CO -0.04 -0.27 0.45 1.37 -1.51 0.00 0.00 179.97 179.98 1wey h LEU 64 N -1.00 0.52 -1.37 3.80 8.10 -1.29 0.54 115.31 124.60 1wey h LEU 64 Ca -0.04 0.11 -0.01 0.00 0.11 0.00 0.00 57.88 58.05 1wey h LEU 64 Cb 0.32 0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.57 1wey h LEU 64 CO 0.07 0.17 -0.05 0.03 -4.11 0.00 0.00 178.44 174.56 1wey h ARG 65 N 0.59 0.00 0.00 0.17 3.08 -1.14 -3.45 114.38 113.63 1wey h ARG 65 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1wey h ARG 65 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1wey h ARG 65 CO -0.41 0.05 0.00 1.28 -1.07 0.00 0.00 179.97 179.82 1wey n LEU 66 N -3.16 0.00 0.00 3.04 4.77 0.19 -4.94 117.00 116.89 1wey n LEU 66 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1wey n LEU 66 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1wey n LEU 66 CO 0.29 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.92 1wey n HIS 67 N 0.00 0.00 -0.50 -1.77 -0.00 -1.22 -3.88 115.22 107.85 1wey n HIS 67 Ca 0.00 0.00 0.38 0.00 0.46 0.00 0.00 57.72 58.56 1wey n HIS 67 Cb 0.00 0.00 0.60 0.00 -0.12 0.00 0.00 29.99 30.47 1wey n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1wey n LYS 68 N 4.30 -0.01 -1.02 1.57 5.02 -0.69 -3.37 118.16 123.96 1wey n LYS 68 Ca 0.00 0.85 -0.40 0.00 -2.02 0.00 0.00 58.31 56.74 1wey n LYS 68 Cb 0.00 -1.89 -0.06 0.00 -0.02 0.00 0.00 35.03 33.07 1wey n LYS 68 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wey n THR 69 N -3.63 0.00 -1.98 -0.18 -2.24 -1.25 -4.17 114.28 100.81 1wey n THR 69 Ca 0.33 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.86 1wey n THR 69 Cb 1.45 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 1wey n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wey s GLU 70 N 0.24 2.39 -0.54 -0.78 2.02 -1.26 -3.64 118.70 117.13 1wey s GLU 70 Ca 0.62 -0.39 -0.28 0.00 0.02 0.00 0.00 54.97 54.94 1wey s GLU 70 Cb -0.87 -5.07 0.01 0.00 0.10 0.00 0.00 34.13 28.30 1wey s GLU 70 CO 0.40 -3.70 1.48 0.12 0.02 0.00 0.00 175.26 173.58 1wey s PHE 71 N 11.04 2.20 -1.90 1.61 5.36 0.14 -3.32 117.98 133.11 1wey s PHE 71 Ca 0.73 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 1wey s PHE 71 Cb -0.06 -4.35 0.00 0.00 -0.34 0.00 0.00 43.02 38.27 1wey s PHE 71 CO 0.04 -2.07 0.00 1.28 -1.46 0.00 0.00 175.22 173.01 1wey n LEU 72 N 9.86 -1.65 0.00 6.12 4.32 -1.26 -0.80 117.00 133.59 1wey n LEU 72 Ca 0.14 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.37 1wey n LEU 72 Cb 0.49 -2.80 0.00 0.00 -1.62 0.00 0.00 43.42 39.49 1wey n LEU 72 CO 0.71 -0.61 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 1wey n GLY 73 N -0.69 3.41 3.68 -0.72 0.00 -1.21 -5.05 105.19 104.61 1wey n GLY 73 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1wey n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wey s LYS 74 N -0.94 3.87 -0.06 1.61 -0.14 0.02 -4.96 119.74 119.14 1wey s LYS 74 Ca 0.00 -0.31 -0.30 0.00 -1.36 0.00 0.00 55.97 54.01 1wey s LYS 74 Cb 0.00 -3.21 -0.02 0.00 -1.68 0.00 0.00 37.83 32.92 1wey s LYS 74 CO 0.00 0.37 1.03 -2.00 -0.76 0.00 0.00 175.35 173.99 1wey s GLU 75 N 0.10 4.46 -0.05 1.68 2.12 -1.26 0.25 118.70 126.01 1wey s GLU 75 Ca 0.06 1.45 0.01 0.00 0.36 0.00 0.00 54.97 56.85 1wey s GLU 75 Cb -0.12 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1wey s GLU 75 CO 0.00 -0.24 -0.06 1.41 -0.54 0.00 0.00 175.26 175.83 1wey s MET 76 N 1.66 2.71 0.35 4.30 -2.45 -1.22 -4.40 119.30 120.26 1wey s MET 76 Ca 0.51 -0.59 0.07 0.00 -1.25 0.00 0.00 55.69 54.43 1wey s MET 76 Cb -0.20 -2.58 -0.01 0.00 1.25 0.00 0.00 34.83 33.28 1wey s MET 76 CO 0.22 0.65 0.44 0.15 1.05 0.00 0.00 175.02 177.53 1wey s LYS 77 N -1.03 2.94 -0.14 4.11 1.02 -0.30 -1.71 119.74 124.64 1wey s LYS 77 Ca 0.14 -1.15 -0.13 0.00 0.02 0.00 0.00 55.97 54.86 1wey s LYS 77 Cb -0.11 -2.70 0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1wey s LYS 77 CO 0.04 -0.00 0.37 -0.51 -0.92 0.00 0.00 175.35 174.32 1wey s LEU 78 N -4.16 0.60 -0.03 3.17 1.43 -1.26 -0.01 118.68 118.42 1wey s LEU 78 Ca 0.46 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.31 1wey s LEU 78 Cb -0.08 1.26 0.01 0.00 0.03 0.00 0.00 46.19 47.41 1wey s LEU 78 CO 0.30 -0.13 -0.06 -0.31 0.23 0.00 0.00 176.35 176.38 1wey s TYR 79 N 0.18 0.76 -0.53 0.29 1.51 0.74 -4.95 117.35 115.34 1wey s TYR 79 Ca -0.00 -0.19 -0.26 0.00 -1.01 0.00 0.00 57.07 55.61 1wey s TYR 79 Cb -0.03 -0.60 -0.08 0.00 -0.11 0.00 0.00 41.96 41.14 1wey s TYR 79 CO 0.01 -0.13 2.42 1.19 -1.11 0.00 0.00 175.55 177.93 1wey n PHE 80 N 3.60 1.38 -1.54 2.71 3.72 -1.26 -0.25 117.46 125.82 1wey n PHE 80 Ca -0.21 0.11 -0.50 0.00 -0.05 0.00 0.00 57.45 56.80 1wey n PHE 80 Cb 0.53 -2.63 -0.06 0.00 -0.94 0.00 0.00 39.48 36.38 1wey n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wey n ALA 81 N 16.21 1.05 -2.19 4.37 0.00 -0.95 -4.90 120.51 134.10 1wey n ALA 81 Ca 0.39 0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 1wey n ALA 81 Cb 0.53 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1wey n ALA 81 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wey s GLN 82 N 5.57 2.94 0.31 0.00 -0.21 -1.26 -4.31 119.66 122.71 1wey s GLN 82 Ca 1.04 -1.14 -0.25 0.00 0.02 0.00 0.00 55.36 55.03 1wey s GLN 82 Cb -0.75 -2.78 -0.15 0.00 1.00 0.00 0.00 33.01 30.32 1wey s GLN 82 CO 0.49 -0.14 0.47 0.25 -2.12 0.00 0.00 175.29 174.24 1wey n THR 83 N -1.77 1.59 -1.55 -0.19 -2.24 -1.26 -4.74 114.28 104.12 1wey n THR 83 Ca 0.05 -0.50 -0.50 0.00 -2.27 0.00 0.00 64.05 60.83 1wey n THR 83 Cb 0.59 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 1wey n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wey n LEU 84 N 1.83 1.00 -3.60 3.22 -0.00 -1.26 -4.97 117.00 113.21 1wey n LEU 84 Ca 0.14 1.14 -0.06 0.00 -0.00 0.00 0.00 56.01 57.23 1wey n LEU 84 Cb 0.33 -1.15 -0.07 0.00 -0.00 0.00 0.00 43.42 42.53 1wey n LEU 84 CO 0.56 -1.58 0.09 -2.28 -0.00 0.00 0.00 177.39 174.18 1wey s HIS 85 N -0.27 -1.00 0.28 1.47 2.46 -1.26 -5.15 115.29 111.81 1wey s HIS 85 Ca 0.74 1.71 -0.29 0.00 0.47 0.00 0.00 55.06 57.70 1wey s HIS 85 Cb -0.92 0.44 -0.09 0.00 -0.13 0.00 0.00 32.58 31.88 1wey s HIS 85 CO 0.53 -0.58 1.02 -1.50 -2.47 0.00 0.00 174.74 171.74 1wey s ILE 86 N 2.70 3.81 0.23 0.89 2.07 -1.26 -5.05 121.20 124.59 1wey s ILE 86 Ca -0.01 1.76 -0.04 0.00 -1.41 0.00 0.00 60.65 60.95 1wey s ILE 86 Cb -0.12 -4.09 -0.02 0.00 0.13 0.00 0.00 42.46 38.35 1wey s ILE 86 CO -0.15 0.37 0.28 -0.83 -1.91 0.00 0.00 174.94 172.70 1wey s GLY 87 N -1.12 1.21 0.04 1.50 0.00 -1.26 -5.06 107.32 102.62 1wey s GLY 87 Ca 0.44 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.72 1wey s GLY 87 CO 0.35 -1.13 0.00 -1.26 0.00 0.00 0.00 173.10 171.06 1wey n SER 88 N -0.47 -0.36 -0.72 1.64 2.88 -1.26 -5.17 113.62 110.16 1wey n SER 88 Ca 0.01 0.08 0.08 0.00 -1.33 0.00 0.00 58.87 57.71 1wey n SER 88 Cb 0.64 0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 64.81 1wey n SER 88 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wey n SER 89 N -2.55 -3.92 -3.24 -3.46 2.88 -1.26 -5.02 113.62 97.05 1wey n SER 89 Ca 0.00 0.74 0.03 0.00 -1.33 0.00 0.00 58.87 58.31 1wey n SER 89 Cb 0.00 -2.46 -0.02 0.00 -0.75 0.00 0.00 64.21 60.99 1wey n SER 89 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1wey s HIS 90 N -3.71 -1.54 -0.30 0.66 -3.43 -1.26 -5.14 115.29 100.57 1wey s HIS 90 Ca 0.00 1.81 -0.12 0.00 -0.80 0.00 0.00 55.06 55.95 1wey s HIS 90 Cb 0.00 0.61 0.17 0.00 -1.43 0.00 0.00 32.58 31.93 1wey s HIS 90 CO 0.00 -0.83 0.92 -1.17 -2.00 0.00 0.00 174.74 171.66 1wey s LEU 91 N 2.87 -0.71 0.07 5.38 1.98 -1.26 -5.17 118.68 121.83 1wey s LEU 91 Ca 0.16 0.76 0.06 0.00 -2.89 0.00 0.00 54.13 52.22 1wey s LEU 91 Cb -0.14 1.72 -0.03 0.00 0.66 0.00 0.00 46.19 48.40 1wey s LEU 91 CO -0.20 -0.14 -0.16 0.00 -1.89 0.00 0.00 176.35 173.96 1wey s ALA 92 N 2.67 1.36 0.70 5.97 0.00 -1.26 -5.15 121.76 126.05 1wey s ALA 92 Ca 0.01 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1wey s ALA 92 Cb -0.09 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1wey s ALA 92 CO -0.17 0.24 1.10 -1.25 0.00 0.00 0.00 175.76 175.68 1wey s PRO 93 N -1.66 2.59 0.06 0.00 0.04 -1.26 -4.98 135.00 129.79 1wey s PRO 93 Ca 0.01 1.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.05 1wey s PRO 93 Cb -0.10 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1wey s PRO 93 CO 0.03 -1.40 1.40 -1.25 0.04 0.00 0.00 177.00 175.82 1wey s PRO 94 N -4.40 4.30 0.03 0.56 0.04 -1.26 -5.01 135.00 129.25 1wey s PRO 94 Ca 0.65 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.55 1wey s PRO 94 Cb -0.19 -3.42 -0.06 0.00 0.04 0.00 0.00 34.50 30.86 1wey s PRO 94 CO 0.47 -0.51 0.46 -0.80 0.04 0.00 0.00 177.00 176.66 1wey s ASN 95 N 1.55 6.90 1.21 6.66 0.01 -1.26 -5.09 114.94 124.93 1wey s ASN 95 Ca 0.65 1.07 -0.20 0.00 -0.71 0.00 0.00 52.86 53.67 1wey s ASN 95 Cb -0.34 -2.29 0.29 0.00 0.41 0.00 0.00 41.25 39.32 1wey s ASN 95 CO 0.29 0.31 1.11 -2.16 -1.51 0.00 0.00 177.10 175.13 1wey s PRO 96 N -1.09 -1.33 -0.30 -0.60 0.04 -1.26 -5.08 135.00 125.38 1wey s PRO 96 Ca 0.26 -0.10 -0.05 0.00 0.04 0.00 0.00 61.00 61.15 1wey s PRO 96 Cb -0.18 -1.59 0.19 0.00 0.04 0.00 0.00 34.50 32.97 1wey s PRO 96 CO 0.15 -3.77 0.88 0.16 0.04 0.00 0.00 177.00 174.46 1wey s ASP 97 N -3.91 -0.85 -0.03 6.66 1.47 -1.26 -5.17 116.67 113.58 1wey s ASP 97 Ca 0.71 0.05 -0.30 0.00 1.18 0.00 0.00 52.55 54.19 1wey s ASP 97 Cb -0.09 1.49 0.11 0.00 -0.34 0.00 0.00 42.92 44.09 1wey s ASP 97 CO 0.56 -0.15 1.30 -0.54 0.68 0.00 0.00 175.17 177.02 1wey s LYS 98 N 2.81 0.35 -0.06 2.11 -0.14 -1.26 -5.12 119.74 118.42 1wey s LYS 98 Ca 0.21 -0.21 -0.05 0.00 -1.36 0.00 0.00 55.97 54.55 1wey s LYS 98 Cb -0.04 0.11 0.02 0.00 -1.68 0.00 0.00 37.83 36.23 1wey s LYS 98 CO -0.23 -0.16 0.10 0.45 -0.76 0.00 0.00 175.35 174.75 1wey n SER 99 N -0.80 -5.65 -4.10 2.83 2.88 -1.26 -5.06 113.62 102.46 1wey n SER 99 Ca -0.02 1.65 -0.14 0.00 -1.33 0.00 0.00 58.87 59.03 1wey n SER 99 Cb 0.61 -5.14 -0.11 0.00 -0.75 0.00 0.00 64.21 58.81 1wey n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wey s GLY 100 N -0.61 0.62 0.21 0.46 0.00 -1.26 -5.13 107.32 101.61 1wey s GLY 100 Ca -0.12 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 43.40 1wey s GLY 100 CO 0.32 -0.95 1.29 2.56 0.00 0.00 0.00 173.10 176.32 1wey s PRO 101 N -1.92 4.40 0.50 2.90 0.04 -1.26 -5.04 135.00 134.62 1wey s PRO 101 Ca -0.05 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.11 1wey s PRO 101 Cb -0.08 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.30 1wey s PRO 101 CO 0.00 -0.22 0.49 0.45 0.04 0.00 0.00 177.00 177.76 1wey s SER 102 N 0.22 4.90 0.24 6.66 0.15 -1.26 -5.13 113.70 119.48 1wey s SER 102 Ca 0.55 -0.97 -0.03 0.00 0.70 0.00 0.00 55.95 56.20 1wey s SER 102 Cb -0.36 0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 63.93 1wey s SER 102 CO 0.39 -1.00 0.47 -0.44 1.20 0.00 0.00 173.24 173.86 1wey s SER 103 N -4.32 6.43 0.00 5.45 0.01 -1.26 -5.36 113.70 114.65 1wey s SER 103 Ca 0.45 0.57 0.00 0.00 1.31 0.00 0.00 55.95 58.28 1wey s SER 103 Cb -0.03 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1wey s SER 103 CO 0.28 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.43