#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 -7.78 -2.07 1.61 7.64 -1.26 -4.74 113.62 107.02 1wey n SER 2 Ca 0.00 1.52 -0.25 0.00 1.01 0.00 0.00 58.87 61.15 1wey n SER 2 Cb 0.00 -4.98 0.02 0.00 -1.01 0.00 0.00 64.21 58.25 1wey n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wey n SER 3 N -4.03 5.09 -2.72 6.43 2.88 -1.26 -4.77 113.62 115.24 1wey n SER 3 Ca -0.08 -3.75 -0.07 0.00 -1.33 0.00 0.00 58.87 53.64 1wey n SER 3 Cb 0.64 -0.39 0.09 0.00 -0.75 0.00 0.00 64.21 63.80 1wey n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wey n GLY 4 N -0.71 -0.01 2.87 0.46 0.00 -1.26 -5.07 105.19 101.48 1wey n GLY 4 Ca 0.45 0.25 -0.02 0.00 0.00 0.00 0.00 46.02 46.70 1wey n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wey s SER 5 N -1.08 -1.31 0.00 1.61 0.01 -1.26 -5.00 113.70 106.66 1wey s SER 5 Ca 0.24 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1wey s SER 5 Cb 0.28 1.71 0.00 0.00 0.21 0.00 0.00 66.02 68.22 1wey s SER 5 CO -0.11 -0.08 0.00 -1.54 0.41 0.00 0.00 173.24 171.92 1wey n SER 6 N 3.33 2.42 -4.37 2.44 3.41 -1.26 -4.45 113.62 115.14 1wey n SER 6 Ca 0.15 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.39 1wey n SER 6 Cb 0.57 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.57 1wey n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wey n GLY 7 N 2.87 -2.19 3.00 5.00 0.00 -1.26 -4.39 105.19 108.22 1wey n GLY 7 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1wey n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wey s LEU 8 N 1.90 1.14 -0.62 0.99 1.43 -0.82 -2.57 118.68 120.13 1wey s LEU 8 Ca 0.62 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 1wey s LEU 8 Cb -0.39 0.48 0.16 0.00 0.03 0.00 0.00 46.19 46.47 1wey s LEU 8 CO 0.61 -0.09 0.54 -0.63 0.23 0.00 0.00 176.35 177.01 1wey s ILE 9 N 0.50 4.92 -0.02 -0.59 -1.09 0.95 -0.04 121.20 125.82 1wey s ILE 9 Ca -0.03 -2.04 -0.19 0.00 -2.23 0.00 0.00 60.65 56.15 1wey s ILE 9 Cb -0.05 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 1wey s ILE 9 CO -0.02 -0.90 0.55 0.00 -1.23 0.00 0.00 174.94 173.34 1wey s ALA 10 N 0.90 3.51 -0.28 9.38 0.00 0.16 -0.74 121.76 134.70 1wey s ALA 10 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 1wey s ALA 10 Cb -0.22 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.26 1wey s ALA 10 CO -0.02 0.18 -0.02 0.00 0.00 0.00 0.00 175.76 175.89 1wey s VAL 12 N 1.30 5.09 -0.18 0.00 1.01 -1.25 -1.01 120.40 125.35 1wey s VAL 12 Ca -0.02 -0.40 0.13 0.00 0.00 0.00 0.00 61.98 61.69 1wey s VAL 12 Cb -0.18 -3.41 -0.23 0.00 0.00 0.00 0.00 36.38 32.55 1wey s VAL 12 CO -0.02 0.24 0.12 0.00 0.00 0.00 0.00 175.10 175.44 1wey n ALA 13 N 0.72 1.46 -1.82 5.51 0.00 -1.26 -4.87 120.51 120.25 1wey n ALA 13 Ca -0.09 -1.18 -0.40 0.00 0.00 0.00 0.00 53.44 51.77 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 -5.83 5.26 0.26 0.00 0.01 -1.26 -4.80 114.94 108.58 1wey s ASN 14 Ca -0.14 1.12 0.19 0.00 -0.71 0.00 0.00 52.86 53.31 1wey s ASN 14 Cb 0.07 -2.52 0.97 0.00 0.41 0.00 0.00 41.25 40.18 1wey s ASN 14 CO 0.79 -2.24 1.58 -0.67 -1.51 0.00 0.00 177.10 175.05 1wey n ASP 15 N 12.68 0.49 0.19 -1.22 2.03 -1.26 -1.08 116.55 128.39 1wey n ASP 15 Ca 0.27 0.71 0.08 0.00 0.52 0.00 0.00 54.79 56.36 1wey n ASP 15 Cb 0.50 -0.78 0.30 0.00 -0.72 0.00 0.00 41.12 40.42 1wey n ASP 15 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1wey h ASP 16 N 0.00 0.00 0.54 1.67 3.58 -2.00 -2.99 116.42 117.22 1wey h ASP 16 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1wey h ASP 16 Cb 0.07 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 1wey h ASP 16 CO 0.00 0.30 -0.05 0.58 -2.88 0.00 0.00 179.24 177.19 1wey h VAL 17 N 0.00 0.21 -0.91 2.25 2.07 -1.45 -2.86 116.25 115.56 1wey h VAL 17 Ca -0.00 -0.42 -0.52 0.00 0.82 0.00 0.00 66.70 66.58 1wey h VAL 17 Cb 0.96 1.34 -0.21 0.00 -1.52 0.00 0.00 31.29 31.87 1wey h VAL 17 CO 0.04 0.05 0.63 0.49 0.02 0.00 0.00 177.57 178.80 1wey n PHE 18 N -3.28 2.25 -4.23 1.57 3.01 -1.13 -4.06 117.46 111.59 1wey n PHE 18 Ca -0.01 -2.34 -0.13 0.00 1.01 0.00 0.00 57.45 55.97 1wey n PHE 18 Cb 0.23 -1.22 -0.10 0.00 -0.01 0.00 0.00 39.48 38.38 1wey n PHE 18 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wey s SER 19 N -0.57 1.23 0.06 4.37 0.15 -1.08 -5.04 113.70 112.82 1wey s SER 19 Ca 0.49 -1.15 0.25 0.00 0.70 0.00 0.00 55.95 56.24 1wey s SER 19 Cb 0.37 0.11 0.45 0.00 -1.71 0.00 0.00 66.02 65.25 1wey s SER 19 CO -0.09 -0.55 1.39 -1.84 1.20 0.00 0.00 173.24 173.35 1wey n GLU 20 N -0.22 0.16 0.00 5.44 0.28 -1.26 -4.21 120.64 120.83 1wey n GLU 20 Ca -0.07 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1wey n GLU 20 Cb 0.63 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.90 1wey n GLU 20 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1wey n SER 21 N -1.82 0.00 0.00 -1.84 7.64 -1.26 -4.83 113.62 111.51 1wey n SER 21 Ca 0.04 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1wey n SER 21 Cb 0.39 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1wey n SER 21 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wey n GLU 22 N -2.60 0.00 -0.32 1.43 1.02 -1.26 -4.98 120.64 113.92 1wey n GLU 22 Ca 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.35 1wey n GLU 22 Cb 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 31.44 31.84 1wey n GLU 22 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1wey h THR 23 N 0.00 0.17 -1.00 2.62 2.02 -1.85 0.70 112.91 115.57 1wey h THR 23 Ca 0.00 -0.05 0.21 0.00 0.77 0.00 0.00 66.41 67.34 1wey h THR 23 Cb 0.00 0.01 -0.11 0.00 -1.74 0.00 0.00 68.15 66.31 1wey h THR 23 CO 0.00 0.03 0.60 -0.09 0.37 0.00 0.00 175.52 176.42 1wey h ARG 24 N 0.15 0.66 -0.32 6.66 2.43 -1.73 -0.24 114.38 121.98 1wey h ARG 24 Ca 0.69 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.85 1wey h ARG 24 Cb 1.59 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.96 1wey h ARG 24 CO -0.72 0.43 0.12 0.00 -1.51 0.00 0.00 179.97 178.29 1wey h ALA 25 N 1.68 0.37 -0.88 2.80 0.00 0.08 -0.70 119.26 122.62 1wey h ALA 25 Ca 0.61 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.72 1wey h ALA 25 Cb 1.04 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1wey h ALA 25 CO -0.43 -0.28 0.57 0.87 0.00 0.00 0.00 179.25 179.99 1wey h LYS 26 N 0.26 0.53 0.02 0.00 1.57 -1.05 0.23 116.57 118.13 1wey h LYS 26 Ca 0.14 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.69 1wey h LYS 26 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1wey h LYS 26 CO -0.14 0.35 -0.93 0.35 -0.57 0.00 0.00 179.45 178.52 1wey h PHE 27 N 0.55 0.26 0.27 -1.35 3.04 -1.14 -3.29 116.94 115.28 1wey h PHE 27 Ca 0.45 -0.15 -0.01 0.00 3.98 0.00 0.00 57.97 62.23 1wey h PHE 27 Cb 0.91 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.40 1wey h PHE 27 CO -0.00 1.00 -0.13 0.93 -2.02 0.00 0.00 178.31 178.09 1wey h GLU 28 N 0.09 -0.34 -1.18 1.11 5.08 0.59 -3.26 114.58 116.65 1wey h GLU 28 Ca -0.05 0.02 0.41 0.00 -1.00 0.00 0.00 59.36 58.75 1wey h GLU 28 Cb 1.58 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 30.79 1wey h GLU 28 CO 0.14 -0.23 0.76 0.45 -1.00 0.00 0.00 179.01 179.13 1wey n SER 29 N -4.33 0.18 -0.04 1.42 2.88 0.57 0.10 113.62 114.40 1wey n SER 29 Ca -0.04 1.19 -0.08 0.00 -1.33 0.00 0.00 58.87 58.60 1wey n SER 29 Cb 0.14 -0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 63.00 1wey n SER 29 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wey h LEU 30 N 0.00 -0.49 0.00 2.46 3.38 -1.63 -0.59 115.31 118.45 1wey h LEU 30 Ca 0.75 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.81 1wey h LEU 30 Cb 2.43 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 43.43 1wey h LEU 30 CO -0.40 -0.19 -0.13 -0.26 0.09 0.00 0.00 178.44 177.55 1wey h PHE 31 N -0.14 0.00 -0.96 1.13 -1.00 0.59 -3.35 116.94 113.20 1wey h PHE 31 Ca 0.13 0.00 0.24 0.00 2.81 0.00 0.00 57.97 61.15 1wey h PHE 31 Cb 0.34 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 39.72 1wey h PHE 31 CO -0.31 0.75 -0.06 -0.09 -1.61 0.00 0.00 178.31 176.99 1wey h ARG 32 N -1.00 0.02 -0.96 1.51 1.12 -1.07 0.44 114.38 114.44 1wey h ARG 32 Ca -0.03 -0.00 0.36 0.00 -1.11 0.00 0.00 59.98 59.20 1wey h ARG 32 Cb 0.75 -0.00 -0.17 0.00 -0.01 0.00 0.00 29.97 30.53 1wey h ARG 32 CO -0.02 0.01 0.36 2.41 -3.11 0.00 0.00 179.97 179.62 1wey n THR 33 N -5.51 -0.40 0.00 0.20 -1.04 -0.23 -1.83 114.28 105.46 1wey n THR 33 Ca 0.20 2.00 0.00 0.00 -2.04 0.00 0.00 64.05 64.20 1wey n THR 33 Cb 0.65 -3.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.03 1wey n THR 33 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1wey n TYR 34 N -5.25 0.00 -4.13 -1.42 4.01 0.15 -4.88 117.16 105.64 1wey n TYR 34 Ca 0.32 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.75 1wey n TYR 34 Cb 1.08 -0.46 -0.08 0.00 -0.31 0.00 0.00 39.34 39.57 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 -2.44 5.19 0.11 7.72 -1.08 -0.76 -5.02 116.67 120.40 1wey s ASP 35 Ca 0.00 -0.09 0.23 0.00 -0.52 0.00 0.00 52.55 52.16 1wey s ASP 35 Cb 0.00 -1.31 -0.05 0.00 -1.46 0.00 0.00 42.92 40.10 1wey s ASP 35 CO 0.00 0.20 0.92 2.29 0.52 0.00 0.00 175.17 179.10 1wey n LYS 36 N 0.71 0.54 -0.99 4.34 2.85 -1.26 -4.02 118.16 120.33 1wey n LYS 36 Ca -0.11 0.02 -0.11 0.00 -1.05 0.00 0.00 58.31 57.06 1wey n LYS 36 Cb 0.52 -1.70 0.23 0.00 -0.65 0.00 0.00 35.03 33.42 1wey n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wey n ASP 37 N -2.40 3.68 -4.68 -5.58 9.92 -1.26 -4.98 116.55 111.25 1wey n ASP 37 Ca -0.00 -3.51 -0.43 0.00 -0.53 0.00 0.00 54.79 50.32 1wey n ASP 37 Cb 0.53 -0.73 -0.02 0.00 -0.64 0.00 0.00 41.12 40.25 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 -3.17 4.65 0.06 -3.53 -4.23 -1.26 -4.59 115.64 103.58 1wey s THR 38 Ca 0.52 1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 62.84 1wey s THR 38 Cb 0.44 -4.25 -0.06 0.00 1.34 0.00 0.00 72.50 69.97 1wey s THR 38 CO 0.08 -0.06 0.44 0.42 -0.54 0.00 0.00 174.62 174.97 1wey s THR 39 N 2.48 5.00 -0.09 3.99 -4.23 0.58 -4.92 115.64 118.45 1wey s THR 39 Ca 0.49 0.73 0.04 0.00 -1.18 0.00 0.00 61.69 61.77 1wey s THR 39 Cb -0.18 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1wey s THR 39 CO 0.15 0.42 -0.22 -0.36 -0.54 0.00 0.00 174.62 174.07 1wey s PHE 40 N -1.26 2.33 -0.27 3.99 0.40 -1.26 -0.43 117.98 121.47 1wey s PHE 40 Ca 0.30 -0.90 0.02 0.00 -0.60 0.00 0.00 56.93 55.75 1wey s PHE 40 Cb -0.16 -1.57 0.07 0.00 0.51 0.00 0.00 43.02 41.88 1wey s PHE 40 CO 0.16 -0.36 -0.03 -1.14 0.70 0.00 0.00 175.22 174.56 1wey s GLN 41 N 0.30 1.67 -0.25 0.44 0.74 0.58 -4.97 119.66 118.19 1wey s GLN 41 Ca -0.15 -1.29 -0.16 0.00 0.05 0.00 0.00 55.36 53.81 1wey s GLN 41 Cb -0.17 -2.75 -0.03 0.00 1.10 0.00 0.00 33.01 31.16 1wey s GLN 41 CO 0.07 -0.70 0.42 0.71 -0.55 0.00 0.00 175.29 175.24 1wey s TYR 42 N 1.23 3.29 -0.44 1.67 1.51 -1.26 -0.77 117.35 122.58 1wey s TYR 42 Ca -0.02 0.54 -0.06 0.00 -1.01 0.00 0.00 57.07 56.52 1wey s TYR 42 Cb -0.19 -2.60 0.11 0.00 -0.11 0.00 0.00 41.96 39.17 1wey s TYR 42 CO -0.08 -0.18 0.27 -0.06 -1.11 0.00 0.00 175.55 174.40 1wey s PHE 43 N 1.90 3.48 0.34 2.71 0.08 0.21 -4.93 117.98 121.77 1wey s PHE 43 Ca 0.18 -2.06 0.32 0.00 0.12 0.00 0.00 56.93 55.48 1wey s PHE 43 Cb -0.15 -3.30 1.53 0.00 -0.57 0.00 0.00 43.02 40.52 1wey s PHE 43 CO 0.09 -0.97 2.07 -0.22 -0.10 0.00 0.00 175.22 176.09 1wey h LYS 44 N 8.27 0.00 0.00 0.44 3.64 -1.95 1.51 116.57 128.49 1wey h LYS 44 Ca -0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1wey h LYS 44 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1wey h LYS 44 CO 0.78 0.08 0.00 0.43 -2.27 0.00 0.00 179.45 178.47 1wey n SER 45 N -3.36 0.82 -0.26 4.20 7.64 -1.26 -3.64 113.62 117.76 1wey n SER 45 Ca -0.01 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1wey n SER 45 Cb 0.25 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1wey n SER 45 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wey n PHE 46 N -2.29 0.00 -2.49 1.43 3.72 -0.61 -4.99 117.46 112.23 1wey n PHE 46 Ca 0.05 -0.03 -0.05 0.00 -0.05 0.00 0.00 57.45 57.36 1wey n PHE 46 Cb 0.39 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.89 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 -0.04 -2.47 -3.96 -1.08 4.76 0.51 -4.86 118.16 111.02 1wey n LYS 47 Ca 0.00 0.02 -0.21 0.00 -2.87 0.00 0.00 58.31 55.25 1wey n LYS 47 Cb 0.60 -3.92 -0.03 0.00 -1.84 0.00 0.00 35.03 29.84 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 -4.61 3.17 -0.23 1.97 0.52 -0.89 -3.95 118.95 114.93 1wey s ARG 48 Ca 0.10 -0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 54.34 1wey s ARG 48 Cb -0.06 -2.74 0.08 0.00 0.52 0.00 0.00 34.95 32.76 1wey s ARG 48 CO 0.12 0.36 0.09 0.08 0.02 0.00 0.00 175.30 175.97 1wey s VAL 49 N -2.08 0.12 -0.35 3.52 1.01 0.14 -0.62 120.40 122.15 1wey s VAL 49 Ca 0.35 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 1wey s VAL 49 Cb -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1wey s VAL 49 CO 0.28 -0.46 0.59 -0.60 0.00 0.00 0.00 175.10 174.91 1wey s ARG 50 N 2.03 3.67 -0.41 2.72 3.00 0.05 0.39 118.95 130.39 1wey s ARG 50 Ca 0.05 -0.01 -0.08 0.00 -1.00 0.00 0.00 55.73 54.69 1wey s ARG 50 Cb -0.16 -3.81 0.07 0.00 0.00 0.00 0.00 34.95 31.06 1wey s ARG 50 CO -0.20 -0.70 0.23 0.42 0.00 0.00 0.00 175.30 175.06 1wey s ILE 51 N 2.60 4.08 -0.05 4.11 1.09 0.94 -0.31 121.20 133.67 1wey s ILE 51 Ca 0.22 -1.41 -0.18 0.00 -1.10 0.00 0.00 60.65 58.18 1wey s ILE 51 Cb -0.15 -3.49 -0.05 0.00 -1.06 0.00 0.00 42.46 37.71 1wey s ILE 51 CO 0.14 -0.47 0.50 0.21 -0.10 0.00 0.00 174.94 175.22 1wey s ASN 52 N 1.99 6.81 0.53 3.58 3.84 0.42 -1.94 114.94 130.17 1wey s ASN 52 Ca 0.03 0.97 0.07 0.00 0.21 0.00 0.00 52.86 54.13 1wey s ASN 52 Cb -0.22 -2.30 0.07 0.00 -0.55 0.00 0.00 41.25 38.24 1wey s ASN 52 CO 0.02 0.12 0.57 0.49 -2.79 0.00 0.00 177.10 175.50 1wey n PHE 53 N 2.87 -1.47 0.96 0.43 3.01 -1.26 -0.31 117.46 121.69 1wey n PHE 53 Ca -0.09 -2.09 0.11 0.00 1.01 0.00 0.00 57.45 56.40 1wey n PHE 53 Cb 0.52 -0.47 0.09 0.00 -0.01 0.00 0.00 39.48 39.61 1wey n PHE 53 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wey n SER 54 N -2.10 2.89 -3.60 4.37 2.88 -1.26 -4.84 113.62 111.97 1wey n SER 54 Ca 0.07 -1.94 -0.16 0.00 -1.33 0.00 0.00 58.87 55.50 1wey n SER 54 Cb 0.58 0.02 -0.07 0.00 -0.75 0.00 0.00 64.21 63.98 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 -1.94 -0.66 0.00 -3.46 2.20 -1.26 -5.02 114.94 104.80 1wey s ASN 55 Ca 0.27 1.03 0.11 0.00 -0.94 0.00 0.00 52.86 53.33 1wey s ASN 55 Cb 0.19 0.97 0.66 0.00 -2.00 0.00 0.00 41.25 41.08 1wey s ASN 55 CO 0.30 -0.41 1.10 -0.81 -2.94 0.00 0.00 177.10 174.34 1wey n PRO 56 N 1.87 0.49 -0.03 3.55 -0.04 -1.26 -3.49 135.00 136.08 1wey n PRO 56 Ca -0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.28 1wey n PRO 56 Cb 0.56 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.00 -0.84 1.53 3.38 -1.95 -3.39 115.31 114.04 1wey h LEU 57 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 1wey h LEU 57 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 1wey h LEU 57 CO 0.00 0.35 0.38 -1.28 0.09 0.00 0.00 178.44 177.97 1wey h SER 58 N -0.52 0.38 -1.55 -0.43 0.87 -1.98 0.85 113.55 111.17 1wey h SER 58 Ca 0.00 0.12 0.47 0.00 -1.23 0.00 0.00 61.79 61.14 1wey h SER 58 Cb 0.17 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.12 1wey h SER 58 CO 0.00 0.11 1.08 0.00 -0.53 0.00 0.00 176.83 177.49 1wey h ALA 59 N 1.61 3.28 0.25 6.23 0.00 -1.75 0.13 119.26 129.00 1wey h ALA 59 Ca 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1wey h ALA 59 Cb 0.78 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wey h ALA 59 CO -0.43 -1.81 -0.12 0.00 0.00 0.00 0.00 179.25 176.89 1wey h ALA 60 N 1.31 -0.33 -0.85 0.00 0.00 -1.01 -3.26 119.26 115.13 1wey h ALA 60 Ca 0.80 -0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.86 1wey h ALA 60 Cb 2.96 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 20.83 1wey h ALA 60 CO -0.15 -0.31 0.59 -0.44 0.00 0.00 0.00 179.25 178.94 1wey h ASP 61 N -1.07 0.18 0.23 0.00 5.19 -1.07 0.47 116.42 120.35 1wey h ASP 61 Ca -0.03 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1wey h ASP 61 Cb 0.25 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 1wey h ASP 61 CO 0.06 0.07 -0.10 0.00 -3.12 0.00 0.00 179.24 176.15 1wey h ALA 62 N 1.60 1.43 0.08 3.45 0.00 -0.90 -1.77 119.26 123.15 1wey h ALA 62 Ca 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wey h ALA 62 Cb 1.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1wey h ALA 62 CO -0.08 0.12 -0.04 -0.09 0.00 0.00 0.00 179.25 179.17 1wey h ARG 63 N 0.00 -0.10 -1.00 0.00 2.43 -0.08 -2.57 114.38 113.05 1wey h ARG 63 Ca -0.00 0.01 0.23 0.00 -0.81 0.00 0.00 59.98 59.41 1wey h ARG 63 Cb 0.24 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.72 1wey h ARG 63 CO 0.01 -0.06 0.63 1.37 -1.51 0.00 0.00 179.97 180.41 1wey h LEU 64 N -0.72 0.57 -0.79 3.80 8.10 -1.52 0.76 115.31 125.51 1wey h LEU 64 Ca -0.01 0.09 -0.04 0.00 0.11 0.00 0.00 57.88 58.03 1wey h LEU 64 Cb 0.08 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 1wey h LEU 64 CO 0.02 0.15 -0.17 0.03 -4.11 0.00 0.00 178.44 174.36 1wey h ARG 65 N 0.53 0.00 0.00 0.17 3.08 -1.44 -3.46 114.38 113.26 1wey h ARG 65 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.63 1wey h ARG 65 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1wey h ARG 65 CO -0.33 0.17 0.00 1.28 -1.07 0.00 0.00 179.97 180.02 1wey n LEU 66 N -3.24 0.00 0.00 3.04 4.77 0.26 -4.95 117.00 116.88 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 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1wey n LEU 66 CO 0.33 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.96 1wey n HIS 67 N 0.00 0.00 -0.49 -1.77 -0.00 -1.23 -3.91 115.22 107.82 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 0.59 0.00 -0.12 0.00 0.00 29.99 30.46 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 2.37 -0.01 -1.08 1.57 5.02 -0.80 -3.33 118.16 121.92 1wey n LYS 68 Ca 0.00 0.85 -0.42 0.00 -2.02 0.00 0.00 58.31 56.72 1wey n LYS 68 Cb 0.00 -1.88 -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 -3.65 0.00 -1.91 -0.18 -2.24 -1.25 -4.19 114.28 100.86 1wey n THR 69 Ca 0.33 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.88 1wey n THR 69 Cb 1.43 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.50 2.26 -0.60 -0.78 2.02 -1.26 -3.78 118.70 117.06 1wey s GLU 70 Ca 0.65 -0.14 -0.28 0.00 0.02 0.00 0.00 54.97 55.23 1wey s GLU 70 Cb -0.91 -5.00 0.02 0.00 0.10 0.00 0.00 34.13 28.34 1wey s GLU 70 CO 0.43 -3.76 1.33 0.12 0.02 0.00 0.00 175.26 173.41 1wey s PHE 71 N 11.58 2.37 -0.79 1.61 2.19 0.33 -3.40 117.98 131.88 1wey s PHE 71 Ca 0.76 0.37 0.00 0.00 0.33 0.00 0.00 56.93 58.40 1wey s PHE 71 Cb -0.08 -4.47 0.00 0.00 -1.31 0.00 0.00 43.02 37.17 1wey s PHE 71 CO 0.03 -1.88 0.00 1.28 1.83 0.00 0.00 175.22 176.48 1wey n LEU 72 N 9.26 -0.12 0.00 6.12 4.77 -1.26 -1.85 117.00 133.92 1wey n LEU 72 Ca 0.10 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1wey n LEU 72 Cb 0.49 -2.18 0.00 0.00 -2.33 0.00 0.00 43.42 39.40 1wey n LEU 72 CO 0.71 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 1wey n GLY 73 N -0.40 1.18 3.90 -0.72 0.00 -1.22 -5.09 105.19 102.84 1wey n GLY 73 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.02 3.57 -0.20 1.61 -0.14 -0.77 -4.91 119.74 118.87 1wey s LYS 74 Ca 0.00 -0.16 -0.18 0.00 -1.36 0.00 0.00 55.97 54.27 1wey s LYS 74 Cb 0.00 -2.98 -0.03 0.00 -1.68 0.00 0.00 37.83 33.13 1wey s LYS 74 CO 0.00 0.57 0.49 -2.00 -0.76 0.00 0.00 175.35 173.65 1wey s GLU 75 N -2.26 4.18 -0.13 1.68 2.12 -1.26 0.12 118.70 123.15 1wey s GLU 75 Ca 0.34 0.35 -0.04 0.00 0.36 0.00 0.00 54.97 55.99 1wey s GLU 75 Cb -0.13 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.67 1wey s GLU 75 CO 0.22 -0.12 0.02 1.41 -0.54 0.00 0.00 175.26 176.25 1wey s MET 76 N 1.56 3.41 0.45 4.30 -2.45 -1.21 -4.50 119.30 120.86 1wey s MET 76 Ca 0.23 -0.39 0.01 0.00 -1.25 0.00 0.00 55.69 54.28 1wey s MET 76 Cb -0.15 -2.95 -0.00 0.00 1.25 0.00 0.00 34.83 32.97 1wey s MET 76 CO 0.09 0.51 0.67 0.15 1.05 0.00 0.00 175.02 177.49 1wey s LYS 77 N -0.33 3.03 -0.17 4.11 1.02 -0.18 -1.90 119.74 125.32 1wey s LYS 77 Ca 0.07 -0.53 -0.08 0.00 0.02 0.00 0.00 55.97 55.46 1wey s LYS 77 Cb -0.12 -2.56 0.07 0.00 -0.52 0.00 0.00 37.83 34.70 1wey s LYS 77 CO 0.02 -0.29 0.39 -0.51 -0.92 0.00 0.00 175.35 174.03 1wey s LEU 78 N -4.56 -0.27 -0.08 3.17 1.43 -1.26 -0.08 118.68 117.04 1wey s LEU 78 Ca 0.49 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.48 1wey s LEU 78 Cb -0.10 1.24 0.01 0.00 0.03 0.00 0.00 46.19 47.37 1wey s LEU 78 CO 0.38 -0.21 -0.13 -0.31 0.23 0.00 0.00 176.35 176.31 1wey s TYR 79 N 1.91 1.62 -0.33 0.29 1.51 0.08 -4.93 117.35 117.50 1wey s TYR 79 Ca -0.06 -0.66 -0.32 0.00 -1.01 0.00 0.00 57.07 55.03 1wey s TYR 79 Cb -0.10 -1.19 -0.09 0.00 -0.11 0.00 0.00 41.96 40.47 1wey s TYR 79 CO -0.12 -0.35 2.24 1.19 -1.11 0.00 0.00 175.55 177.40 1wey n PHE 80 N 3.98 1.69 -1.65 2.71 3.01 -1.26 -0.04 117.46 125.90 1wey n PHE 80 Ca -0.21 0.11 -0.45 0.00 1.01 0.00 0.00 57.45 57.91 1wey n PHE 80 Cb 0.52 -2.61 -0.03 0.00 -0.01 0.00 0.00 39.48 37.35 1wey n PHE 80 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wey n ALA 81 N 11.08 0.71 -2.80 4.37 0.00 -1.06 -4.86 120.51 127.96 1wey n ALA 81 Ca 0.37 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1wey n ALA 81 Cb 0.33 -2.21 0.01 0.00 0.00 0.00 0.00 19.45 17.58 1wey n ALA 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1wey s GLN 82 N -0.68 0.31 -0.41 0.00 0.74 -1.26 -4.76 119.66 113.60 1wey s GLN 82 Ca 0.67 -0.18 0.08 0.00 0.05 0.00 0.00 55.36 55.98 1wey s GLN 82 Cb -0.68 0.02 0.27 0.00 1.10 0.00 0.00 33.01 33.72 1wey s GLN 82 CO 0.52 -0.43 0.68 0.25 -0.55 0.00 0.00 175.29 175.76 1wey n THR 83 N 3.45 -0.41 -3.29 -0.34 -2.24 -1.26 -5.04 114.28 105.16 1wey n THR 83 Ca 0.08 -3.36 -0.11 0.00 -2.27 0.00 0.00 64.05 58.39 1wey n THR 83 Cb 0.63 -0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 1wey n THR 83 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1wey s LEU 84 N -1.34 -0.50 0.51 3.22 2.34 -1.26 -5.13 118.68 116.53 1wey s LEU 84 Ca 0.34 -1.43 0.00 0.00 0.06 0.00 0.00 54.13 53.10 1wey s LEU 84 Cb 0.22 1.00 0.00 0.00 -0.56 0.00 0.00 46.19 46.85 1wey s LEU 84 CO -0.13 -0.22 0.00 1.41 -1.06 0.00 0.00 176.35 176.35 1wey n HIS 85 N 4.16 -3.47 -3.68 3.48 8.25 -1.26 -4.99 115.22 117.71 1wey n HIS 85 Ca 0.12 1.87 -0.10 0.00 -0.26 0.00 0.00 57.72 59.36 1wey n HIS 85 Cb 0.49 -3.15 -0.10 0.00 1.12 0.00 0.00 29.99 28.35 1wey n HIS 85 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1wey s ILE 86 N -3.92 -0.02 -0.93 1.59 1.10 -1.26 -4.98 121.20 112.78 1wey s ILE 86 Ca 0.00 0.08 -0.07 0.00 -0.51 0.00 0.00 60.65 60.14 1wey s ILE 86 Cb 0.00 -0.69 -0.02 0.00 0.15 0.00 0.00 42.46 41.91 1wey s ILE 86 CO 0.00 0.03 0.76 0.61 -2.11 0.00 0.00 174.94 174.23 1wey n GLY 87 N 4.28 -1.17 3.94 1.50 0.00 -1.26 -4.99 105.19 107.49 1wey n GLY 87 Ca -0.23 0.51 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 1wey n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wey s SER 88 N -3.21 5.44 0.00 1.61 1.04 -1.26 -5.03 113.70 112.28 1wey s SER 88 Ca 0.24 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1wey s SER 88 Cb -0.06 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.65 1wey s SER 88 CO 0.80 -1.10 0.00 -0.24 0.98 0.00 0.00 173.24 173.68 1wey n SER 89 N -2.50 1.74 -1.34 7.02 2.88 -1.26 -5.16 113.62 115.01 1wey n SER 89 Ca 0.05 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.60 1wey n SER 89 Cb 0.58 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.04 1wey n SER 89 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1wey n HIS 90 N -2.19 -3.66 -3.44 0.66 8.25 -1.26 -4.99 115.22 108.59 1wey n HIS 90 Ca 0.00 1.99 -0.17 0.00 -0.26 0.00 0.00 57.72 59.28 1wey n HIS 90 Cb 0.27 -3.16 -0.11 0.00 1.12 0.00 0.00 29.99 28.11 1wey n HIS 90 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wey s LEU 91 N -5.17 -0.20 -0.10 2.41 1.02 -1.26 -5.14 118.68 110.23 1wey s LEU 91 Ca 0.00 -0.41 -0.31 0.00 0.02 0.00 0.00 54.13 53.43 1wey s LEU 91 Cb 0.00 0.50 0.12 0.00 0.02 0.00 0.00 46.19 46.83 1wey s LEU 91 CO 0.00 -0.35 1.02 0.00 0.02 0.00 0.00 176.35 177.04 1wey s ALA 92 N 2.36 -1.93 0.75 4.21 0.00 -1.26 -5.17 121.76 120.71 1wey s ALA 92 Ca 0.09 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 1wey s ALA 92 Cb -0.15 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1wey s ALA 92 CO -0.22 -0.56 1.10 -1.25 0.00 0.00 0.00 175.76 174.83 1wey s PRO 93 N -2.41 2.38 -0.71 0.00 0.04 -1.26 -4.92 135.00 128.12 1wey s PRO 93 Ca 0.05 1.23 -0.26 0.00 0.04 0.00 0.00 61.00 62.06 1wey s PRO 93 Cb -0.01 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1wey s PRO 93 CO -0.05 -1.55 1.89 -1.25 0.04 0.00 0.00 177.00 176.07 1wey s PRO 94 N -4.70 2.60 0.30 0.56 0.04 -1.26 -4.94 135.00 127.59 1wey s PRO 94 Ca 0.63 0.30 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 1wey s PRO 94 Cb -0.18 -4.62 -0.14 0.00 0.04 0.00 0.00 34.50 29.60 1wey s PRO 94 CO 0.52 -2.96 0.81 0.09 0.04 0.00 0.00 177.00 175.51 1wey n ASN 95 N 13.17 0.32 -4.77 6.66 4.13 -1.26 -4.91 115.26 128.60 1wey n ASN 95 Ca 0.27 1.11 -0.34 0.00 1.68 0.00 0.00 54.58 57.30 1wey n ASN 95 Cb 0.50 -1.18 0.02 0.00 -1.54 0.00 0.00 39.78 37.58 1wey n ASN 95 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1wey s PRO 96 N -1.45 3.19 0.23 3.52 0.04 -1.26 -5.06 135.00 134.21 1wey s PRO 96 Ca 0.61 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 63.06 1wey s PRO 96 Cb -0.73 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1wey s PRO 96 CO 0.59 -0.97 0.48 0.16 0.04 0.00 0.00 177.00 177.30 1wey s ASP 97 N -2.02 -0.12 -0.38 6.66 -4.77 -1.26 -5.14 116.67 109.65 1wey s ASP 97 Ca 0.71 -0.83 0.04 0.00 -3.30 0.00 0.00 52.55 49.17 1wey s ASP 97 Cb -0.23 0.58 0.18 0.00 -1.09 0.00 0.00 42.92 42.36 1wey s ASP 97 CO 0.31 -1.11 0.71 -0.75 0.70 0.00 0.00 175.17 175.03 1wey s LYS 98 N -3.98 0.65 -0.05 2.11 2.36 -1.26 -5.15 119.74 114.43 1wey s LYS 98 Ca 0.19 -0.10 0.01 0.00 -2.55 0.00 0.00 55.97 53.52 1wey s LYS 98 Cb -0.01 0.11 0.02 0.00 -1.05 0.00 0.00 37.83 36.90 1wey s LYS 98 CO 0.06 -0.98 -0.05 -1.12 1.55 0.00 0.00 175.35 174.81 1wey s SER 99 N 2.04 1.01 0.39 1.43 0.01 -1.26 -5.14 113.70 112.18 1wey s SER 99 Ca 0.15 -0.14 -0.24 0.00 1.31 0.00 0.00 55.95 57.04 1wey s SER 99 Cb -0.04 -0.47 -0.09 0.00 0.21 0.00 0.00 66.02 65.63 1wey s SER 99 CO -0.11 -0.05 1.03 -0.83 0.41 0.00 0.00 173.24 173.69 1wey s GLY 100 N 0.92 2.72 0.55 3.44 0.00 -1.26 -5.02 107.32 108.67 1wey s GLY 100 Ca -0.11 0.67 -0.19 0.00 0.00 0.00 0.00 44.72 45.08 1wey s GLY 100 CO 0.00 1.09 1.13 2.56 0.00 0.00 0.00 173.10 177.88 1wey s PRO 101 N -2.50 3.32 -0.08 2.90 0.04 -1.26 -4.99 135.00 132.43 1wey s PRO 101 Ca 0.57 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 1wey s PRO 101 Cb -0.21 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1wey s PRO 101 CO 0.26 -0.87 -0.10 0.45 0.04 0.00 0.00 177.00 176.78 1wey n SER 102 N -1.37 1.14 -3.67 6.66 2.88 -1.26 -5.04 113.62 112.97 1wey n SER 102 Ca 0.12 0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.61 1wey n SER 102 Cb 0.51 -0.22 -0.12 0.00 -0.75 0.00 0.00 64.21 63.63 1wey n SER 102 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wey s SER 103 N -5.54 0.07 0.00 -3.46 0.15 -1.26 -5.38 113.70 98.28 1wey s SER 103 Ca -0.11 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1wey s SER 103 Cb 0.04 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1wey s SER 103 CO 0.15 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.97