#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wey n SER 2 N 0.00 -5.09 -4.15 1.61 2.88 -1.26 -5.04 113.62 102.57 1wey n SER 2 Ca 0.00 1.57 -0.26 0.00 -1.33 0.00 0.00 58.87 58.84 1wey n SER 2 Cb 0.00 -5.09 -0.16 0.00 -0.75 0.00 0.00 64.21 58.21 1wey n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wey s SER 3 N -0.61 2.22 0.00 -3.46 0.01 -1.26 -5.02 113.70 105.58 1wey s SER 3 Ca -0.13 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1wey s SER 3 Cb 0.01 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1wey s SER 3 CO 0.36 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.79 1wey n GLY 4 N 3.09 -2.84 0.11 3.44 0.00 -1.26 -4.96 105.19 102.77 1wey n GLY 4 Ca -0.18 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 1wey n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wey h SER 5 N 0.00 0.33 -5.87 1.61 0.02 -1.95 -3.47 113.55 104.22 1wey h SER 5 Ca 0.00 -0.73 -0.37 0.00 -0.84 0.00 0.00 61.79 59.85 1wey h SER 5 Cb 0.00 -0.10 0.11 0.00 0.14 0.00 0.00 62.40 62.56 1wey h SER 5 CO 0.00 1.02 -0.82 -1.20 -1.14 0.00 0.00 176.83 174.69 1wey n SER 6 N -4.43 -2.28 -4.66 3.07 7.64 -1.26 -4.10 113.62 107.59 1wey n SER 6 Ca -0.09 -0.75 -0.26 0.00 1.01 0.00 0.00 58.87 58.78 1wey n SER 6 Cb 0.53 -4.53 -0.08 0.00 -1.01 0.00 0.00 64.21 59.13 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 -4.21 1.70 -0.01 0.23 0.00 -1.26 -0.89 107.32 102.87 1wey s GLY 7 Ca 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1wey s GLY 7 CO 0.78 -1.46 0.01 1.08 0.00 0.00 0.00 173.10 173.51 1wey s LEU 8 N -3.12 1.55 -0.59 0.66 1.43 0.01 -2.30 118.68 116.31 1wey s LEU 8 Ca 0.28 0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 53.22 1wey s LEU 8 Cb -0.09 -0.05 0.11 0.00 0.03 0.00 0.00 46.19 46.19 1wey s LEU 8 CO 0.19 -0.06 0.66 -0.63 0.23 0.00 0.00 176.35 176.74 1wey s ILE 9 N 0.52 4.94 -0.29 -0.59 -1.09 0.91 -1.13 121.20 124.47 1wey s ILE 9 Ca -0.04 -1.18 -0.25 0.00 -2.23 0.00 0.00 60.65 56.94 1wey s ILE 9 Cb -0.07 -4.46 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 1wey s ILE 9 CO -0.01 -1.06 0.88 0.00 -1.23 0.00 0.00 174.94 173.52 1wey s ALA 10 N 2.33 3.56 -0.46 9.38 0.00 0.10 -0.38 121.76 136.29 1wey s ALA 10 Ca 0.10 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 1wey s ALA 10 Cb -0.25 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.50 1wey s ALA 10 CO 0.05 -1.20 0.61 0.00 0.00 0.00 0.00 175.76 175.22 1wey s VAL 12 N 2.66 3.97 -1.22 0.00 -7.23 -1.26 -1.35 120.40 115.98 1wey s VAL 12 Ca 0.19 -1.04 0.10 0.00 -1.81 0.00 0.00 61.98 59.42 1wey s VAL 12 Cb -0.16 -2.90 0.12 0.00 0.56 0.00 0.00 36.38 34.00 1wey s VAL 12 CO 0.16 0.10 0.91 0.00 -0.31 0.00 0.00 175.10 175.96 1wey n ALA 13 N 0.50 2.42 -3.23 1.32 0.00 -1.26 -4.89 120.51 115.37 1wey n ALA 13 Ca -0.11 -0.69 -0.46 0.00 0.00 0.00 0.00 53.44 52.18 1wey n ALA 13 Cb 0.52 -0.36 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.90 6.19 0.44 0.00 0.01 -1.26 -4.92 114.94 114.50 1wey s ASN 14 Ca 0.14 -1.66 0.21 0.00 -0.71 0.00 0.00 52.86 50.84 1wey s ASN 14 Cb 0.09 -2.24 1.17 0.00 0.41 0.00 0.00 41.25 40.69 1wey s ASN 14 CO 0.13 -0.92 1.86 -2.24 -1.51 0.00 0.00 177.10 174.42 1wey h ASP 15 N 8.97 0.32 -0.63 -1.22 3.04 -2.01 0.23 116.42 125.11 1wey h ASP 15 Ca -0.30 0.04 0.09 0.00 -3.24 0.00 0.00 57.03 53.62 1wey h ASP 15 Cb 1.10 -0.02 -0.04 0.00 -1.04 0.00 0.00 39.33 39.33 1wey h ASP 15 CO 1.05 0.12 0.42 0.44 -2.04 0.00 0.00 179.24 179.23 1wey h ASP 16 N 0.32 0.43 0.00 4.15 3.32 -1.95 0.80 116.42 123.49 1wey h ASP 16 Ca 0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1wey h ASP 16 Cb 1.31 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1wey h ASP 16 CO -0.15 0.26 0.09 0.58 -1.72 0.00 0.00 179.24 178.30 1wey h VAL 17 N 0.48 0.00 0.00 -1.35 2.07 -0.85 0.21 116.25 116.80 1wey h VAL 17 Ca 0.29 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.52 1wey h VAL 17 Cb 0.50 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1wey h VAL 17 CO -0.09 0.00 -1.76 0.49 0.02 0.00 0.00 177.57 176.23 1wey n PHE 18 N -2.80 0.88 -1.31 1.57 3.01 0.27 -4.03 117.46 115.05 1wey n PHE 18 Ca -0.02 0.32 -0.32 0.00 1.01 0.00 0.00 57.45 58.43 1wey n PHE 18 Cb 0.15 -1.15 0.09 0.00 -0.01 0.00 0.00 39.48 38.56 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 -5.99 4.29 0.00 4.37 0.01 0.06 -4.93 113.70 111.51 1wey s SER 19 Ca -0.05 2.05 0.28 0.00 1.31 0.00 0.00 55.95 59.54 1wey s SER 19 Cb 0.08 -2.55 1.12 0.00 0.21 0.00 0.00 66.02 64.88 1wey s SER 19 CO 0.82 -2.19 1.81 -0.62 0.41 0.00 0.00 173.24 173.48 1wey n GLU 20 N -3.22 0.46 0.00 12.44 1.02 -1.26 -4.15 120.64 125.92 1wey n GLU 20 Ca 0.11 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1wey n GLU 20 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1wey n GLU 20 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wey n SER 21 N -1.14 0.00 0.00 1.62 2.88 -1.26 -4.84 113.62 110.88 1wey n SER 21 Ca 0.12 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1wey n SER 21 Cb 0.30 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1wey n SER 21 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wey n GLU 22 N -2.68 0.00 -0.44 -1.46 0.00 -1.26 -4.96 120.64 109.83 1wey n GLU 22 Ca 0.00 0.00 0.38 0.00 0.00 0.00 0.00 57.16 57.54 1wey n GLU 22 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 31.44 32.08 1wey n GLU 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1wey n THR 23 N -1.00 -0.25 -0.14 6.31 -1.04 -1.26 0.79 114.28 117.69 1wey n THR 23 Ca 0.00 1.74 -0.03 0.00 -2.04 0.00 0.00 64.05 63.72 1wey n THR 23 Cb 0.00 -2.84 0.04 0.00 -1.82 0.00 0.00 70.33 65.71 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 0.07 -0.70 -2.82 2.43 -1.72 -1.17 114.38 110.47 1wey h ARG 24 Ca 0.84 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 60.08 1wey h ARG 24 Cb 2.67 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 32.14 1wey h ARG 24 CO -0.47 0.04 0.38 0.00 -1.51 0.00 0.00 179.97 178.42 1wey h ALA 25 N 1.43 0.95 -0.48 2.80 0.00 0.05 0.10 119.26 124.11 1wey h ALA 25 Ca 0.23 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.31 1wey h ALA 25 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1wey h ALA 25 CO -0.42 0.03 0.46 0.87 0.00 0.00 0.00 179.25 180.19 1wey h LYS 26 N 0.67 0.00 0.14 0.00 1.57 -1.20 -0.34 116.57 117.41 1wey h LYS 26 Ca 0.32 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.74 1wey h LYS 26 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1wey h LYS 26 CO -0.21 0.00 -1.95 0.35 -0.57 0.00 0.00 179.45 177.06 1wey h PHE 27 N 0.00 0.53 0.76 -1.35 3.04 -0.86 -3.36 116.94 115.70 1wey h PHE 27 Ca 0.23 -0.38 -0.04 0.00 3.98 0.00 0.00 57.97 61.76 1wey h PHE 27 Cb 1.15 -0.02 0.01 0.00 2.56 0.00 0.00 35.95 39.65 1wey h PHE 27 CO 0.00 1.77 -0.39 0.93 -2.02 0.00 0.00 178.31 178.60 1wey h GLU 28 N 0.07 -1.01 -0.97 1.11 5.08 0.09 -2.82 114.58 116.14 1wey h GLU 28 Ca -0.41 0.07 0.36 0.00 -1.00 0.00 0.00 59.36 58.38 1wey h GLU 28 Cb 2.04 0.23 -0.18 0.00 0.50 0.00 0.00 28.75 31.35 1wey h GLU 28 CO 0.10 -0.68 0.36 0.45 -1.00 0.00 0.00 179.01 178.25 1wey n SER 29 N -4.89 0.19 -0.35 1.42 2.88 -0.41 0.05 113.62 112.51 1wey n SER 29 Ca -0.13 1.62 0.06 0.00 -1.33 0.00 0.00 58.87 59.09 1wey n SER 29 Cb 0.42 -0.73 0.13 0.00 -0.75 0.00 0.00 64.21 63.29 1wey n SER 29 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wey n LEU 30 N -5.27 -0.37 -0.10 2.46 4.77 -1.06 -0.09 117.00 117.34 1wey n LEU 30 Ca 0.32 1.69 -0.24 0.00 -0.03 0.00 0.00 56.01 57.76 1wey n LEU 30 Cb 1.09 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 41.56 1wey n LEU 30 CO -0.02 -1.62 -0.93 0.49 -1.33 0.00 0.00 177.39 173.99 1wey n PHE 31 N -5.60 0.67 -0.47 -1.77 3.01 0.11 -4.22 117.46 109.20 1wey n PHE 31 Ca 0.15 0.24 0.42 0.00 1.01 0.00 0.00 57.45 59.27 1wey n PHE 31 Cb 0.49 -1.07 0.77 0.00 -0.01 0.00 0.00 39.48 39.65 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 -0.67 0.02 -0.82 -1.08 1.12 -0.50 0.36 114.38 112.81 1wey h ARG 32 Ca -0.49 -0.00 0.13 0.00 -1.11 0.00 0.00 59.98 58.51 1wey h ARG 32 Cb 1.60 -0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 31.47 1wey h ARG 32 CO -0.20 0.01 0.42 0.00 -3.11 0.00 0.00 179.97 177.09 1wey h THR 33 N 0.02 0.77 0.08 0.20 1.03 -0.67 -3.18 112.91 111.15 1wey h THR 33 Ca 0.72 -0.22 -0.00 0.00 -0.01 0.00 0.00 66.41 66.90 1wey h THR 33 Cb 2.81 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 69.97 1wey h THR 33 CO -0.04 0.12 -0.04 1.88 -0.01 0.00 0.00 175.52 177.43 1wey h TYR 34 N 0.63 -0.09 -3.33 0.00 0.05 -0.53 -3.46 116.97 110.23 1wey h TYR 34 Ca 0.43 -0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.53 1wey h TYR 34 Cb 0.56 0.03 -0.15 0.00 1.01 0.00 0.00 36.73 38.19 1wey h TYR 34 CO -0.10 -0.06 -0.63 0.34 -1.05 0.00 0.00 178.16 176.67 1wey s ASP 35 N -3.30 5.21 0.07 3.88 -1.08 -1.19 -5.00 116.67 115.26 1wey s ASP 35 Ca -0.01 0.11 0.23 0.00 -0.52 0.00 0.00 52.55 52.36 1wey s ASP 35 Cb 0.00 -1.44 0.10 0.00 -1.46 0.00 0.00 42.92 40.12 1wey s ASP 35 CO 0.04 0.36 1.08 0.29 0.52 0.00 0.00 175.17 177.46 1wey n LYS 36 N 1.98 0.32 -1.06 4.34 5.02 -1.25 -3.95 118.16 123.56 1wey n LYS 36 Ca -0.18 0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.05 1wey n LYS 36 Cb 0.53 -1.63 0.29 0.00 -0.02 0.00 0.00 35.03 34.21 1wey n LYS 36 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wey n ASP 37 N -2.05 4.74 -4.65 4.39 -0.08 -1.26 -4.94 116.55 112.69 1wey n ASP 37 Ca 0.02 -3.28 -0.42 0.00 -1.51 0.00 0.00 54.79 49.60 1wey n ASP 37 Cb 0.45 -0.76 -0.04 0.00 2.34 0.00 0.00 41.12 43.11 1wey n ASP 37 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1wey s THR 38 N -3.04 4.79 -0.04 5.18 -4.23 -1.25 -4.50 115.64 112.55 1wey s THR 38 Ca 0.56 1.72 -0.18 0.00 -1.18 0.00 0.00 61.69 62.61 1wey s THR 38 Cb 0.45 -4.18 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 1wey s THR 38 CO 0.13 -0.09 0.50 0.42 -0.54 0.00 0.00 174.62 175.04 1wey s THR 39 N 2.87 5.03 -0.12 3.99 -4.23 -0.09 -4.91 115.64 118.17 1wey s THR 39 Ca 0.38 1.02 -0.00 0.00 -1.18 0.00 0.00 61.69 61.91 1wey s THR 39 Cb -0.15 -3.82 -0.02 0.00 1.34 0.00 0.00 72.50 69.84 1wey s THR 39 CO 0.08 0.44 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.14 1wey s PHE 40 N -0.22 2.87 -0.26 3.99 0.40 -1.26 -0.61 117.98 122.88 1wey s PHE 40 Ca 0.27 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1wey s PHE 40 Cb -0.17 -1.82 0.08 0.00 0.51 0.00 0.00 43.02 41.62 1wey s PHE 40 CO 0.14 -0.04 0.03 -0.65 0.70 0.00 0.00 175.22 175.40 1wey s GLN 41 N 0.04 1.08 -0.16 0.44 -0.21 0.92 -4.99 119.66 116.78 1wey s GLN 41 Ca -0.03 -0.97 -0.17 0.00 0.02 0.00 0.00 55.36 54.20 1wey s GLN 41 Cb -0.14 -2.34 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 1wey s GLN 41 CO 0.04 -0.77 0.45 0.71 -2.12 0.00 0.00 175.29 173.60 1wey s TYR 42 N 1.53 3.44 -0.51 0.91 1.51 -1.26 -0.50 117.35 122.46 1wey s TYR 42 Ca 0.02 0.77 -0.05 0.00 -1.01 0.00 0.00 57.07 56.80 1wey s TYR 42 Cb -0.18 -2.56 0.13 0.00 -0.11 0.00 0.00 41.96 39.25 1wey s TYR 42 CO -0.13 0.06 0.34 -0.06 -1.11 0.00 0.00 175.55 174.65 1wey s PHE 43 N 1.04 3.50 -0.14 2.71 0.08 -0.37 -4.92 117.98 119.89 1wey s PHE 43 Ca 0.23 -2.35 0.25 0.00 0.12 0.00 0.00 56.93 55.18 1wey s PHE 43 Cb -0.15 -3.32 1.29 0.00 -0.57 0.00 0.00 43.02 40.27 1wey s PHE 43 CO 0.09 -0.94 1.76 0.87 -0.10 0.00 0.00 175.22 176.90 1wey h LYS 44 N 7.82 0.00 0.04 0.44 1.79 -1.95 0.71 116.57 125.42 1wey h LYS 44 Ca -0.10 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.26 1wey h LYS 44 Cb 1.02 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1wey h LYS 44 CO 0.75 0.00 -0.45 0.77 -1.08 0.00 0.00 179.45 179.44 1wey h SER 45 N 0.00 0.33 -0.41 0.86 0.02 -1.95 -3.33 113.55 109.08 1wey h SER 45 Ca 0.00 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 1wey h SER 45 Cb 0.08 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1wey h SER 45 CO 0.00 1.15 0.00 0.49 -1.14 0.00 0.00 176.83 177.33 1wey n PHE 46 N -4.35 0.97 -2.67 3.45 3.01 -0.88 -4.94 117.46 112.04 1wey n PHE 46 Ca -0.11 -0.67 -0.05 0.00 1.01 0.00 0.00 57.45 57.63 1wey n PHE 46 Cb 0.63 -0.20 -0.01 0.00 -0.01 0.00 0.00 39.48 39.88 1wey n PHE 46 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wey n LYS 47 N 0.32 -2.77 -3.75 -1.08 4.76 0.24 -4.88 118.16 111.01 1wey n LYS 47 Ca 0.20 0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.48 1wey n LYS 47 Cb 0.75 -4.57 -0.03 0.00 -1.84 0.00 0.00 35.03 29.33 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 -5.20 2.73 -0.14 1.97 0.52 -1.06 -4.27 118.95 113.49 1wey s ARG 48 Ca 0.07 -1.30 -0.02 0.00 -0.52 0.00 0.00 55.73 53.96 1wey s ARG 48 Cb -0.04 -2.49 0.04 0.00 0.52 0.00 0.00 34.95 32.98 1wey s ARG 48 CO 0.09 0.05 -0.00 0.08 0.02 0.00 0.00 175.30 175.54 1wey s VAL 49 N -2.32 0.65 -0.33 3.52 1.01 -0.87 -1.23 120.40 120.84 1wey s VAL 49 Ca 0.42 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1wey s VAL 49 Cb -0.06 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1wey s VAL 49 CO 0.27 0.06 0.24 -0.60 0.00 0.00 0.00 175.10 175.07 1wey s ARG 50 N 1.83 3.58 -0.26 2.72 3.52 0.34 0.01 118.95 130.69 1wey s ARG 50 Ca 0.02 -0.57 -0.03 0.00 -0.13 0.00 0.00 55.73 55.02 1wey s ARG 50 Cb -0.15 -3.78 0.02 0.00 -1.56 0.00 0.00 34.95 29.48 1wey s ARG 50 CO -0.07 -0.40 -0.03 0.42 -0.81 0.00 0.00 175.30 174.41 1wey s ILE 51 N 1.75 3.14 -0.29 4.11 1.01 -0.29 -0.05 121.20 130.58 1wey s ILE 51 Ca 0.07 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 1wey s ILE 51 Cb -0.17 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 1wey s ILE 51 CO 0.11 0.16 0.20 0.21 0.00 0.00 0.00 174.94 175.62 1wey s ASN 52 N 1.37 6.03 0.52 3.58 3.84 0.22 -0.81 114.94 129.68 1wey s ASN 52 Ca 0.01 -0.05 0.03 0.00 0.21 0.00 0.00 52.86 53.05 1wey s ASN 52 Cb -0.17 -2.12 0.03 0.00 -0.55 0.00 0.00 41.25 38.43 1wey s ASN 52 CO -0.03 -0.07 0.72 -0.36 -2.79 0.00 0.00 177.10 174.57 1wey s PHE 53 N 1.76 2.87 -0.96 0.43 0.40 -0.07 -0.91 117.98 121.50 1wey s PHE 53 Ca 0.07 -0.08 0.25 0.00 -0.60 0.00 0.00 56.93 56.57 1wey s PHE 53 Cb -0.16 -2.64 0.42 0.00 0.51 0.00 0.00 43.02 41.15 1wey s PHE 53 CO 0.11 -0.74 1.36 0.45 0.70 0.00 0.00 175.22 177.09 1wey n SER 54 N -2.22 0.55 -3.75 1.36 2.88 -1.26 -4.69 113.62 106.50 1wey n SER 54 Ca 0.07 -0.28 -0.13 0.00 -1.33 0.00 0.00 58.87 57.20 1wey n SER 54 Cb 0.59 0.32 -0.10 0.00 -0.75 0.00 0.00 64.21 64.28 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 -3.12 -0.31 0.40 -3.46 4.22 -1.26 -5.03 114.94 106.38 1wey s ASN 55 Ca 0.10 0.46 0.29 0.00 -2.14 0.00 0.00 52.86 51.57 1wey s ASN 55 Cb 0.17 0.56 1.20 0.00 1.28 0.00 0.00 41.25 44.45 1wey s ASN 55 CO 0.72 -0.28 1.85 1.55 -2.04 0.00 0.00 177.10 178.90 1wey h PRO 56 N 4.76 0.00 0.53 3.55 0.13 -1.90 -3.22 132.00 135.85 1wey h PRO 56 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 1wey h PRO 56 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1wey h PRO 56 CO 0.33 0.00 -0.25 -0.07 -0.23 0.00 0.00 178.00 177.78 1wey h LEU 57 N 0.00 -0.60 -0.25 1.56 3.38 -1.98 -3.20 115.31 114.22 1wey h LEU 57 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1wey h LEU 57 Cb 0.42 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1wey h LEU 57 CO 0.00 -0.35 -0.14 -1.28 0.09 0.00 0.00 178.44 176.76 1wey h SER 58 N -0.86 -0.47 -1.17 -0.43 0.87 -2.00 -1.19 113.55 108.31 1wey h SER 58 Ca -0.07 0.11 0.42 0.00 -1.23 0.00 0.00 61.79 61.01 1wey h SER 58 Cb 0.54 0.25 -0.13 0.00 -0.44 0.00 0.00 62.40 62.62 1wey h SER 58 CO 0.12 -0.18 0.74 0.00 -0.53 0.00 0.00 176.83 176.98 1wey n ALA 59 N -2.65 1.17 0.18 6.23 0.00 -1.22 -0.39 120.51 123.83 1wey n ALA 59 Ca -0.01 0.80 -0.07 0.00 0.00 0.00 0.00 53.44 54.16 1wey n ALA 59 Cb 0.22 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 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 1.48 -0.65 -0.22 0.00 0.00 -1.20 -3.29 119.26 115.38 1wey h ALA 60 Ca 0.78 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.64 1wey h ALA 60 Cb 2.44 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 20.35 1wey h ALA 60 CO -0.46 -0.61 -0.23 0.22 0.00 0.00 0.00 179.25 178.16 1wey h ASP 61 N -0.82 -0.75 -1.33 0.00 1.82 -0.75 0.21 116.42 114.81 1wey h ASP 61 Ca -0.05 0.13 0.38 0.00 -0.39 0.00 0.00 57.03 57.11 1wey h ASP 61 Cb 0.37 0.35 -0.05 0.00 0.68 0.00 0.00 39.33 40.68 1wey h ASP 61 CO 0.08 -0.27 1.26 0.00 -1.61 0.00 0.00 179.24 178.70 1wey n ALA 62 N -2.78 1.27 -0.08 -0.78 0.00 0.48 -0.02 120.51 118.60 1wey n ALA 62 Ca -0.01 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 1wey n ALA 62 Cb 0.28 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 1wey n ALA 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1wey h ARG 63 N 0.00 0.00 -0.74 0.00 2.43 -1.02 -2.56 114.38 112.49 1wey h ARG 63 Ca 0.63 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 60.01 1wey h ARG 63 Cb 3.15 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 32.67 1wey h ARG 63 CO -0.01 0.47 0.55 1.37 -1.51 0.00 0.00 179.97 180.84 1wey h LEU 64 N -1.00 0.00 0.09 3.80 8.10 -0.11 0.37 115.31 126.56 1wey h LEU 64 Ca -0.12 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.55 1wey h LEU 64 Cb 0.77 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.97 1wey h LEU 64 CO -0.07 0.00 -1.68 0.03 -4.11 0.00 0.00 178.44 172.61 1wey h ARG 65 N 0.00 0.20 0.00 0.17 3.08 -1.01 -3.48 114.38 113.34 1wey h ARG 65 Ca 0.35 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1wey h ARG 65 Cb 1.44 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.61 1wey h ARG 65 CO -0.00 1.00 0.00 1.28 -1.07 0.00 0.00 179.97 181.18 1wey n LEU 66 N -3.37 0.00 0.00 3.04 4.77 0.12 -4.87 117.00 116.69 1wey n LEU 66 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1wey n LEU 66 Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1wey n LEU 66 CO 0.47 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 178.10 1wey n HIS 67 N 0.00 0.00 -0.43 -1.77 -0.00 -1.25 -3.98 115.22 107.80 1wey n HIS 67 Ca 0.00 0.00 0.34 0.00 0.46 0.00 0.00 57.72 58.52 1wey n HIS 67 Cb 0.00 0.00 0.54 0.00 -0.12 0.00 0.00 29.99 30.41 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 4.40 -0.01 -1.45 1.57 5.02 -0.16 -3.69 118.16 123.84 1wey n LYS 68 Ca 0.00 0.83 -0.57 0.00 -2.02 0.00 0.00 58.31 56.55 1wey n LYS 68 Cb 0.00 -1.77 -0.08 0.00 -0.02 0.00 0.00 35.03 33.16 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 -3.71 0.00 -1.55 -0.18 -2.24 -1.26 -3.70 114.28 101.65 1wey n THR 69 Ca 0.30 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.74 1wey n THR 69 Cb 1.29 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 1wey n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wey n GLU 70 N 2.88 0.95 0.00 -0.78 1.02 -1.26 -3.99 120.64 119.46 1wey n GLU 70 Ca 0.24 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1wey n GLU 70 Cb -0.02 -3.37 0.00 0.00 -0.02 0.00 0.00 31.44 28.03 1wey n GLU 70 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wey n PHE 71 N 15.88 0.00 -1.17 -0.32 7.35 -1.11 -4.43 117.46 133.66 1wey n PHE 71 Ca 0.39 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.82 1wey n PHE 71 Cb 0.51 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.39 1wey n PHE 71 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1wey n LEU 72 N -0.22 7.04 0.00 -2.13 -0.00 -1.26 -4.76 117.00 115.67 1wey n LEU 72 Ca 0.00 -3.84 0.00 0.00 -0.00 0.00 0.00 56.01 52.17 1wey n LEU 72 Cb 0.00 -1.04 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 1wey n LEU 72 CO 0.00 1.39 0.00 0.61 -0.00 0.00 0.00 177.39 179.39 1wey n GLY 73 N -0.17 3.27 3.62 -3.96 0.00 -1.26 -5.02 105.19 101.66 1wey n GLY 73 Ca 0.46 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.57 2.23 -0.14 1.61 1.02 -1.26 -4.99 119.74 117.64 1wey s LYS 74 Ca 0.00 -1.18 -0.29 0.00 0.02 0.00 0.00 55.97 54.51 1wey s LYS 74 Cb 0.00 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1wey s LYS 74 CO 0.00 0.45 1.42 -2.00 -0.92 0.00 0.00 175.35 174.30 1wey s GLU 75 N -2.87 4.17 0.07 1.68 2.12 -1.26 -2.75 118.70 119.86 1wey s GLU 75 Ca 0.26 1.82 -0.04 0.00 0.36 0.00 0.00 54.97 57.37 1wey s GLU 75 Cb -0.09 -3.87 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 1wey s GLU 75 CO 0.17 -0.82 0.28 1.41 -0.54 0.00 0.00 175.26 175.77 1wey s MET 76 N 3.80 3.55 0.26 4.30 -2.45 -1.24 -4.78 119.30 122.73 1wey s MET 76 Ca 0.62 -0.19 0.09 0.00 -1.25 0.00 0.00 55.69 54.96 1wey s MET 76 Cb -0.26 -2.99 -0.04 0.00 1.25 0.00 0.00 34.83 32.79 1wey s MET 76 CO 0.21 0.58 0.00 0.15 1.05 0.00 0.00 175.02 177.01 1wey s LYS 77 N -2.28 2.32 -0.14 4.11 1.02 -0.45 -0.98 119.74 123.33 1wey s LYS 77 Ca 0.34 -1.40 -0.07 0.00 0.02 0.00 0.00 55.97 54.86 1wey s LYS 77 Cb -0.13 -2.18 0.06 0.00 -0.52 0.00 0.00 37.83 35.06 1wey s LYS 77 CO 0.22 0.37 0.33 -0.51 -0.92 0.00 0.00 175.35 174.84 1wey s LEU 78 N -3.66 0.07 0.42 3.17 1.43 -1.26 0.23 118.68 119.08 1wey s LEU 78 Ca 0.31 0.71 0.05 0.00 -1.03 0.00 0.00 54.13 54.17 1wey s LEU 78 Cb -0.07 1.03 -0.05 0.00 0.03 0.00 0.00 46.19 47.13 1wey s LEU 78 CO 0.20 -0.19 0.03 -0.31 0.23 0.00 0.00 176.35 176.31 1wey s TYR 79 N 1.51 2.17 -0.41 0.29 1.51 0.48 -4.91 117.35 117.99 1wey s TYR 79 Ca -0.08 -0.86 -0.15 0.00 -1.01 0.00 0.00 57.07 54.97 1wey s TYR 79 Cb -0.10 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.20 1wey s TYR 79 CO -0.11 0.23 0.30 -0.06 -1.11 0.00 0.00 175.55 174.80 1wey s PHE 80 N -2.92 3.24 -0.07 2.71 0.08 -1.26 -0.06 117.98 119.70 1wey s PHE 80 Ca 0.27 -0.63 -0.30 0.00 0.12 0.00 0.00 56.93 56.39 1wey s PHE 80 Cb 0.07 -2.60 -0.05 0.00 -0.57 0.00 0.00 43.02 39.88 1wey s PHE 80 CO 0.13 -0.60 1.53 0.00 -0.10 0.00 0.00 175.22 176.18 1wey s ALA 81 N 1.67 3.63 0.13 5.36 0.00 -0.97 -4.78 121.76 126.80 1wey s ALA 81 Ca 0.05 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1wey s ALA 81 Cb -0.19 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1wey s ALA 81 CO 0.10 -1.28 0.00 0.94 0.00 0.00 0.00 175.76 175.52 1wey n GLN 82 N 6.75 0.00 -4.46 0.00 7.27 -1.26 -4.51 117.38 121.17 1wey n GLN 82 Ca 0.16 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.95 1wey n GLN 82 Cb 0.43 -0.03 -0.09 0.00 2.41 0.00 0.00 30.24 32.96 1wey n GLN 82 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1wey s THR 83 N -2.00 1.91 -0.15 1.69 -4.23 -1.26 -5.07 115.64 106.53 1wey s THR 83 Ca 0.00 -1.88 -0.24 0.00 -1.18 0.00 0.00 61.69 58.39 1wey s THR 83 Cb 0.00 -2.79 -0.24 0.00 1.34 0.00 0.00 72.50 70.81 1wey s THR 83 CO 0.00 0.00 0.57 -0.07 -0.54 0.00 0.00 174.62 174.58 1wey h LEU 84 N 1.53 0.09 -2.10 4.79 4.07 -2.02 -3.50 115.31 118.17 1wey h LEU 84 Ca -0.43 -0.82 0.00 0.00 0.08 0.00 0.00 57.88 56.71 1wey h LEU 84 Cb 1.26 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.93 1wey h LEU 84 CO 0.75 1.28 -1.20 1.57 -1.08 0.00 0.00 178.44 179.76 1wey n HIS 85 N -4.42 -4.17 -4.70 1.13 -0.00 -1.26 -5.07 115.22 96.74 1wey n HIS 85 Ca -0.20 2.06 -0.31 0.00 -0.00 0.00 0.00 57.72 59.27 1wey n HIS 85 Cb 0.63 -3.99 -0.08 0.00 -0.00 0.00 0.00 29.99 26.55 1wey n HIS 85 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 1wey s ILE 86 N -1.30 1.18 0.00 3.57 -0.00 -1.26 -5.04 121.20 118.35 1wey s ILE 86 Ca -0.10 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.55 1wey s ILE 86 Cb 0.01 -2.30 0.00 0.00 -0.00 0.00 0.00 42.46 40.16 1wey s ILE 86 CO 0.79 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 176.34 1wey n GLY 87 N -1.17 -1.63 1.67 6.27 0.00 -1.26 -5.15 105.19 103.92 1wey n GLY 87 Ca -0.15 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1wey n GLY 87 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wey n SER 88 N 0.00 -8.99 -4.18 1.61 7.64 -1.26 -4.84 113.62 103.59 1wey n SER 88 Ca 0.00 1.48 -0.36 0.00 1.01 0.00 0.00 58.87 61.00 1wey n SER 88 Cb 0.00 -5.19 0.05 0.00 -1.01 0.00 0.00 64.21 58.06 1wey n SER 88 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wey n SER 89 N -1.33 -4.28 0.03 6.43 7.64 -1.26 -4.85 113.62 115.99 1wey n SER 89 Ca 0.00 0.35 -0.11 0.00 1.01 0.00 0.00 58.87 60.12 1wey n SER 89 Cb 0.12 -0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 62.37 1wey n SER 89 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1wey h HIS 90 N -0.84 -0.76 0.00 1.43 2.76 -2.08 -3.46 115.15 112.21 1wey h HIS 90 Ca -0.44 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1wey h HIS 90 Cb 1.33 0.35 0.00 0.00 1.55 0.00 0.00 27.41 30.64 1wey h HIS 90 CO 0.26 -0.37 0.00 -0.11 -1.30 0.00 0.00 177.93 176.42 1wey n LEU 91 N -5.39 -0.20 -2.87 0.26 0.00 -1.26 -5.10 117.00 102.44 1wey n LEU 91 Ca -0.04 0.07 -0.09 0.00 0.00 0.00 0.00 56.01 55.96 1wey n LEU 91 Cb 0.30 0.39 0.01 0.00 0.00 0.00 0.00 43.42 44.13 1wey n LEU 91 CO 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 177.39 177.37 1wey n ALA 92 N -2.31 -3.03 -1.77 1.96 0.00 -1.26 -4.96 120.51 109.13 1wey n ALA 92 Ca 0.00 1.05 -0.36 0.00 0.00 0.00 0.00 53.44 54.13 1wey n ALA 92 Cb 0.00 -3.35 -0.00 0.00 0.00 0.00 0.00 19.45 16.10 1wey n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wey s PRO 93 N -2.46 3.45 0.28 0.00 0.04 -1.26 -5.00 135.00 130.04 1wey s PRO 93 Ca 0.22 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1wey s PRO 93 Cb -0.06 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1wey s PRO 93 CO 0.77 -0.78 1.25 -1.25 0.04 0.00 0.00 177.00 177.03 1wey s PRO 94 N -3.15 4.45 0.15 0.56 0.04 -1.26 -5.02 135.00 130.77 1wey s PRO 94 Ca 0.71 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.57 1wey s PRO 94 Cb -0.25 -3.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 1wey s PRO 94 CO 0.29 -0.09 0.71 1.21 0.04 0.00 0.00 177.00 179.16 1wey s ASN 95 N -0.35 7.26 1.07 6.66 3.84 -1.26 -5.07 114.94 127.09 1wey s ASN 95 Ca 0.50 1.52 -0.14 0.00 0.21 0.00 0.00 52.86 54.94 1wey s ASN 95 Cb -0.37 -2.45 0.22 0.00 -0.55 0.00 0.00 41.25 38.10 1wey s ASN 95 CO 0.45 0.21 1.10 -2.16 -2.79 0.00 0.00 177.10 173.91 1wey s PRO 96 N -1.24 -0.11 -0.37 0.43 0.04 -1.26 -5.07 135.00 127.42 1wey s PRO 96 Ca 0.35 0.33 0.05 0.00 0.04 0.00 0.00 61.00 61.76 1wey s PRO 96 Cb -0.21 -1.69 0.19 0.00 0.04 0.00 0.00 34.50 32.82 1wey s PRO 96 CO 0.24 -3.06 0.67 -0.51 0.04 0.00 0.00 177.00 174.39 1wey s ASP 97 N -3.58 -1.41 0.13 6.66 1.01 -1.26 -5.14 116.67 113.08 1wey s ASP 97 Ca 0.67 -0.44 -0.34 0.00 0.71 0.00 0.00 52.55 53.16 1wey s ASP 97 Cb -0.16 1.82 -0.17 0.00 1.01 0.00 0.00 42.92 45.42 1wey s ASP 97 CO 0.57 -0.19 1.07 2.29 0.21 0.00 0.00 175.17 179.12 1wey n LYS 98 N 4.65 0.74 -3.58 8.23 -0.00 -1.26 -4.96 118.16 121.98 1wey n LYS 98 Ca 0.09 0.27 -0.10 0.00 -0.00 0.00 0.00 58.31 58.56 1wey n LYS 98 Cb 0.57 -1.71 -0.02 0.00 -0.00 0.00 0.00 35.03 33.87 1wey n LYS 98 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1wey s SER 99 N -0.10 -0.43 0.00 -5.58 0.01 -1.26 -5.18 113.70 101.15 1wey s SER 99 Ca 0.77 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1wey s SER 99 Cb -0.96 0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1wey s SER 99 CO 0.53 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1wey n GLY 100 N -0.38 2.07 1.56 3.44 0.00 -1.26 -5.17 105.19 105.44 1wey n GLY 100 Ca -0.13 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1wey n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wey n PRO 101 N -0.47 -1.97 -4.16 1.61 -0.04 -1.26 -5.10 135.00 123.61 1wey n PRO 101 Ca 0.00 -0.78 -0.11 0.00 -0.04 0.00 0.00 63.50 62.57 1wey n PRO 101 Cb 0.00 -0.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1wey n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wey s SER 102 N -2.82 0.17 -0.13 3.54 0.15 -1.26 -5.18 113.70 108.18 1wey s SER 102 Ca 0.32 -1.28 -0.31 0.00 0.70 0.00 0.00 55.95 55.38 1wey s SER 102 Cb -0.03 0.37 0.13 0.00 -1.71 0.00 0.00 66.02 64.78 1wey s SER 102 CO 0.24 -0.83 1.03 -0.44 1.20 0.00 0.00 173.24 174.44 1wey s SER 103 N -3.11 -0.29 0.00 5.45 0.01 -1.26 -5.39 113.70 109.11 1wey s SER 103 Ca 0.32 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1wey s SER 103 Cb 0.06 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1wey s SER 103 CO 0.08 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.96