#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 6.18 -0.08 1.61 0.15 -1.26 -4.78 113.70 115.52 1wey s SER 2 Ca 0.00 -1.35 -0.06 0.00 0.70 0.00 0.00 55.95 55.24 1wey s SER 2 Cb 0.00 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1wey s SER 2 CO 0.00 -0.86 0.12 -1.20 1.20 0.00 0.00 173.24 172.50 1wey n SER 3 N 5.71 -4.01 0.00 5.45 7.64 -1.26 -4.88 113.62 122.28 1wey n SER 3 Ca -0.11 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.20 1wey n SER 3 Cb 0.43 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 1wey n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wey n GLY 4 N 1.91 0.33 1.51 0.23 0.00 -1.26 -5.13 105.19 102.79 1wey n GLY 4 Ca -0.21 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1wey n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wey n SER 5 N 0.00 -8.05 -3.77 1.61 7.64 -1.26 -4.29 113.62 105.50 1wey n SER 5 Ca 0.00 1.62 -0.26 0.00 1.01 0.00 0.00 58.87 61.24 1wey n SER 5 Cb 0.00 -5.07 -0.07 0.00 -1.01 0.00 0.00 64.21 58.06 1wey n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wey n SER 6 N -3.73 -0.12 -4.90 6.43 3.41 -1.26 -3.46 113.62 109.99 1wey n SER 6 Ca -0.06 -0.91 -0.29 0.00 -0.26 0.00 0.00 58.87 57.35 1wey n SER 6 Cb 0.61 -1.15 0.05 0.00 -0.26 0.00 0.00 64.21 63.46 1wey n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wey s GLY 7 N -3.45 1.62 -0.14 5.00 0.00 -1.24 -2.72 107.32 106.40 1wey s GLY 7 Ca 0.24 -0.52 -0.07 0.00 0.00 0.00 0.00 44.72 44.38 1wey s GLY 7 CO 0.73 -0.17 0.32 1.08 0.00 0.00 0.00 173.10 175.06 1wey s LEU 8 N -5.24 0.13 -0.55 0.66 1.43 -0.69 -1.80 118.68 112.61 1wey s LEU 8 Ca 0.57 0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 54.18 1wey s LEU 8 Cb -0.11 1.00 0.09 0.00 0.03 0.00 0.00 46.19 47.20 1wey s LEU 8 CO 0.49 -0.18 0.64 -0.63 0.23 0.00 0.00 176.35 176.90 1wey s ILE 9 N 1.43 4.90 -0.23 -0.59 -1.09 0.10 -0.57 121.20 125.16 1wey s ILE 9 Ca -0.09 -0.87 -0.17 0.00 -2.23 0.00 0.00 60.65 57.30 1wey s ILE 9 Cb -0.10 -4.39 -0.03 0.00 -1.58 0.00 0.00 42.46 36.36 1wey s ILE 9 CO -0.10 -0.96 0.46 0.00 -1.23 0.00 0.00 174.94 173.10 1wey s ALA 10 N 2.51 3.56 -0.42 9.38 0.00 -0.14 -0.44 121.76 136.23 1wey s ALA 10 Ca 0.11 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 1wey s ALA 10 Cb -0.23 -2.77 0.05 0.00 0.00 0.00 0.00 23.12 20.18 1wey s ALA 10 CO 0.08 -0.52 0.29 0.00 0.00 0.00 0.00 175.76 175.61 1wey s VAL 12 N 1.57 5.38 -0.15 0.00 1.01 -1.23 -1.12 120.40 125.85 1wey s VAL 12 Ca 0.03 -0.27 0.18 0.00 0.00 0.00 0.00 61.98 61.92 1wey s VAL 12 Cb -0.22 -3.60 -0.26 0.00 0.00 0.00 0.00 36.38 32.30 1wey s VAL 12 CO 0.06 0.19 0.23 0.00 0.00 0.00 0.00 175.10 175.58 1wey n ALA 13 N 0.47 1.79 -2.20 5.51 0.00 -1.26 -4.86 120.51 119.96 1wey n ALA 13 Ca -0.06 -1.09 -0.41 0.00 0.00 0.00 0.00 53.44 51.87 1wey n ALA 13 Cb 0.52 -0.38 -0.03 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 -5.34 5.89 0.50 0.00 0.01 -1.26 -4.84 114.94 109.90 1wey s ASN 14 Ca -0.09 0.64 0.34 0.00 -0.71 0.00 0.00 52.86 53.03 1wey s ASN 14 Cb 0.08 -2.54 1.75 0.00 0.41 0.00 0.00 41.25 40.95 1wey s ASN 14 CO 0.84 -1.83 2.03 -0.78 -1.51 0.00 0.00 177.10 175.85 1wey h ASP 15 N 12.40 0.00 1.10 -1.22 1.82 -2.01 -0.61 116.42 127.91 1wey h ASP 15 Ca -0.28 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 1wey h ASP 15 Cb 1.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1wey h ASP 15 CO 1.14 0.00 0.00 0.44 -1.61 0.00 0.00 179.24 179.21 1wey h ASP 16 N 0.00 0.00 0.81 2.28 3.32 -2.00 -2.75 116.42 118.08 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 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1wey h ASP 16 CO 0.00 0.00 0.00 0.58 -1.72 0.00 0.00 179.24 178.10 1wey h VAL 17 N 0.00 0.00 -1.31 -1.35 2.07 -1.40 -3.08 116.25 111.18 1wey h VAL 17 Ca 0.00 -0.36 -0.62 0.00 0.82 0.00 0.00 66.70 66.54 1wey h VAL 17 Cb 0.55 1.25 -0.24 0.00 -1.52 0.00 0.00 31.29 31.33 1wey h VAL 17 CO 0.00 0.00 0.78 0.49 0.02 0.00 0.00 177.57 178.86 1wey n PHE 18 N -2.77 2.56 -4.12 1.57 3.01 -1.04 -4.11 117.46 112.55 1wey n PHE 18 Ca 0.01 -2.39 -0.09 0.00 1.01 0.00 0.00 57.45 55.99 1wey n PHE 18 Cb 0.25 -1.27 -0.10 0.00 -0.01 0.00 0.00 39.48 38.35 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 -0.81 0.57 0.09 4.37 0.15 -1.16 -5.04 113.70 111.87 1wey s SER 19 Ca 0.54 -1.07 0.25 0.00 0.70 0.00 0.00 55.95 56.38 1wey s SER 19 Cb 0.42 0.21 0.53 0.00 -1.71 0.00 0.00 66.02 65.46 1wey s SER 19 CO -0.20 -0.61 1.46 -0.62 1.20 0.00 0.00 173.24 174.46 1wey n GLU 20 N 0.02 0.20 0.00 5.44 1.02 -1.26 -4.12 120.64 121.93 1wey n GLU 20 Ca -0.11 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1wey n GLU 20 Cb 0.62 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1wey n GLU 20 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wey n SER 21 N -1.94 0.00 0.00 1.62 7.64 -1.26 -4.86 113.62 114.81 1wey n SER 21 Ca 0.04 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1wey n SER 21 Cb 0.41 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.24 0.00 -0.58 1.43 2.13 -1.26 -4.96 120.64 115.15 1wey n GLU 22 Ca 0.00 0.00 0.46 0.00 0.66 0.00 0.00 57.16 58.28 1wey n GLU 22 Cb 0.00 0.00 0.73 0.00 0.27 0.00 0.00 31.44 32.44 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 -0.80 -0.10 0.44 6.31 -1.04 -1.26 0.12 114.28 117.95 1wey n THR 23 Ca 0.00 1.54 -0.18 0.00 -2.04 0.00 0.00 64.05 63.37 1wey n THR 23 Cb 0.00 -2.55 -0.09 0.00 -1.82 0.00 0.00 70.33 65.88 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 -1.07 -0.70 -2.82 2.43 -1.72 -3.23 114.38 107.28 1wey h ARG 24 Ca 0.87 0.07 0.06 0.00 -0.81 0.00 0.00 59.98 60.18 1wey h ARG 24 Cb 3.23 0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 32.94 1wey h ARG 24 CO -0.19 -0.70 -0.41 0.00 -1.51 0.00 0.00 179.97 177.15 1wey n ALA 25 N -2.64 -0.45 -0.33 2.80 0.00 0.12 0.11 120.51 120.12 1wey n ALA 25 Ca -0.14 0.60 0.14 0.00 0.00 0.00 0.00 53.44 54.04 1wey n ALA 25 Cb 0.44 -0.07 0.28 0.00 0.00 0.00 0.00 19.45 20.11 1wey n ALA 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wey n LYS 26 N -4.78 -0.08 -0.26 0.00 4.01 -1.22 0.16 118.16 116.00 1wey n LYS 26 Ca 0.01 1.43 -0.07 0.00 -0.51 0.00 0.00 58.31 59.18 1wey n LYS 26 Cb 0.18 -2.28 0.05 0.00 -0.51 0.00 0.00 35.03 32.47 1wey n LYS 26 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.40 176.64 1wey h PHE 27 N 0.00 1.10 0.44 2.13 3.04 0.72 -3.03 116.94 121.34 1wey h PHE 27 Ca 0.58 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 62.42 1wey h PHE 27 Cb 1.21 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.39 1wey h PHE 27 CO -0.48 0.86 -0.21 0.93 -2.02 0.00 0.00 178.31 177.39 1wey h GLU 28 N 1.03 -0.57 -1.06 1.11 5.08 0.22 -3.21 114.58 117.19 1wey h GLU 28 Ca 0.23 0.04 0.38 0.00 -1.00 0.00 0.00 59.36 59.01 1wey h GLU 28 Cb 0.24 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.50 1wey h GLU 28 CO -0.02 -0.38 0.67 0.45 -1.00 0.00 0.00 179.01 178.73 1wey n SER 29 N -4.83 0.19 0.16 1.42 2.88 0.12 0.89 113.62 114.45 1wey n SER 29 Ca -0.07 1.14 -0.14 0.00 -1.33 0.00 0.00 58.87 58.47 1wey n SER 29 Cb 0.23 -0.56 -0.07 0.00 -0.75 0.00 0.00 64.21 63.06 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 -0.89 0.09 2.46 3.38 -1.52 -0.44 115.31 118.38 1wey h LEU 30 Ca 0.70 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.76 1wey h LEU 30 Cb 2.20 0.32 0.00 0.00 0.09 0.00 0.00 40.66 43.27 1wey h LEU 30 CO -0.41 -0.43 -0.04 -0.26 0.09 0.00 0.00 178.44 177.39 1wey h PHE 31 N -0.60 -0.11 -0.98 1.13 -1.00 0.40 -3.34 116.94 112.43 1wey h PHE 31 Ca 0.01 -0.00 0.24 0.00 2.81 0.00 0.00 57.97 61.02 1wey h PHE 31 Cb 0.59 0.04 -0.18 0.00 3.61 0.00 0.00 35.95 40.00 1wey h PHE 31 CO -0.24 0.18 -0.08 -0.09 -1.61 0.00 0.00 178.31 176.46 1wey h ARG 32 N -1.00 0.01 -0.97 1.51 1.12 -1.01 0.47 114.38 114.51 1wey h ARG 32 Ca -0.01 -0.00 0.34 0.00 -1.11 0.00 0.00 59.98 59.20 1wey h ARG 32 Cb 0.34 -0.00 -0.18 0.00 -0.01 0.00 0.00 29.97 30.12 1wey h ARG 32 CO 0.02 0.00 0.30 2.41 -3.11 0.00 0.00 179.97 179.59 1wey n THR 33 N -5.54 -0.41 0.00 0.20 -1.04 -0.17 -1.82 114.28 105.49 1wey n THR 33 Ca 0.20 2.03 0.00 0.00 -2.04 0.00 0.00 64.05 64.24 1wey n THR 33 Cb 0.65 -3.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.01 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 -5.30 0.00 -4.21 -1.42 4.01 0.17 -4.86 117.16 105.55 1wey n TYR 34 Ca 0.30 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.73 1wey n TYR 34 Cb 1.02 -0.46 -0.08 0.00 -0.31 0.00 0.00 39.34 39.51 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 -2.37 5.13 0.03 7.72 2.15 -0.76 -5.02 116.67 123.55 1wey s ASP 35 Ca 0.00 -0.06 0.18 0.00 0.43 0.00 0.00 52.55 53.10 1wey s ASP 35 Cb 0.00 -1.31 -0.17 0.00 -0.30 0.00 0.00 42.92 41.15 1wey s ASP 35 CO 0.00 0.24 0.70 0.29 -0.17 0.00 0.00 175.17 176.22 1wey n LYS 36 N 1.03 0.63 -0.85 4.34 5.02 -1.25 -4.05 118.16 123.03 1wey n LYS 36 Ca -0.13 0.13 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 1wey n LYS 36 Cb 0.52 -1.74 0.12 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.77 3.53 -4.68 4.39 9.92 -1.26 -4.91 116.55 120.77 1wey n ASP 37 Ca -0.11 -3.11 -0.39 0.00 -0.53 0.00 0.00 54.79 50.65 1wey n ASP 37 Cb 0.82 -0.74 -0.06 0.00 -0.64 0.00 0.00 41.12 40.51 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 -2.28 5.10 -0.17 -3.53 -4.23 -1.26 -4.46 115.64 104.82 1wey s THR 38 Ca 0.39 1.02 -0.09 0.00 -1.18 0.00 0.00 61.69 61.83 1wey s THR 38 Cb 0.33 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.26 1wey s THR 38 CO 0.08 0.20 0.13 0.42 -0.54 0.00 0.00 174.62 174.91 1wey s THR 39 N 1.44 5.45 -0.05 3.99 -4.23 0.02 -4.95 115.64 117.30 1wey s THR 39 Ca 0.26 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1wey s THR 39 Cb -0.16 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 1wey s THR 39 CO 0.10 0.51 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.30 1wey s PHE 40 N -0.18 3.02 -0.24 3.99 0.40 -1.26 -0.48 117.98 123.22 1wey s PHE 40 Ca 0.11 0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.49 1wey s PHE 40 Cb -0.11 -1.72 0.08 0.00 0.51 0.00 0.00 43.02 41.78 1wey s PHE 40 CO 0.00 0.40 0.06 -1.14 0.70 0.00 0.00 175.22 175.25 1wey s GLN 41 N -1.02 0.63 0.20 0.44 2.00 0.11 -4.98 119.66 117.04 1wey s GLN 41 Ca 0.14 -0.63 -0.16 0.00 -2.00 0.00 0.00 55.36 52.71 1wey s GLN 41 Cb -0.11 -1.97 -0.08 0.00 0.80 0.00 0.00 33.01 31.65 1wey s GLN 41 CO 0.04 -0.79 0.64 0.71 -0.50 0.00 0.00 175.29 175.39 1wey s TYR 42 N 1.81 3.57 -0.31 1.67 1.51 -1.26 -0.45 117.35 123.89 1wey s TYR 42 Ca 0.03 1.18 0.01 0.00 -1.01 0.00 0.00 57.07 57.28 1wey s TYR 42 Cb -0.17 -2.47 0.07 0.00 -0.11 0.00 0.00 41.96 39.28 1wey s TYR 42 CO -0.16 0.34 0.00 -0.06 -1.11 0.00 0.00 175.55 174.55 1wey s PHE 43 N -1.59 3.42 0.00 2.71 0.40 0.38 -4.97 117.98 118.33 1wey s PHE 43 Ca 0.43 -2.34 -0.04 0.00 -0.60 0.00 0.00 56.93 54.38 1wey s PHE 43 Cb -0.15 -2.37 -0.17 0.00 0.51 0.00 0.00 43.02 40.84 1wey s PHE 43 CO 0.20 -0.88 3.04 1.17 0.70 0.00 0.00 175.22 179.44 1wey n LYS 44 N 4.47 1.64 0.00 0.44 4.81 -1.26 -2.37 118.16 125.88 1wey n LYS 44 Ca -0.08 -0.64 0.00 0.00 -0.87 0.00 0.00 58.31 56.72 1wey n LYS 44 Cb 0.42 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1wey n LYS 44 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1wey n SER 45 N 2.14 0.00 -0.47 3.14 7.64 -1.26 -4.92 113.62 119.89 1wey n SER 45 Ca 0.27 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.23 1wey n SER 45 Cb 0.77 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 64.15 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 -1.43 0.35 -3.44 1.43 3.72 -1.20 -4.96 117.46 111.92 1wey n PHE 46 Ca 0.00 -1.12 -0.23 0.00 -0.05 0.00 0.00 57.45 56.06 1wey n PHE 46 Cb 0.00 -0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 38.25 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 -1.13 -1.59 -3.92 -1.08 4.76 -1.00 -4.88 118.16 109.32 1wey n LYS 47 Ca 0.20 0.07 -0.21 0.00 -2.87 0.00 0.00 58.31 55.50 1wey n LYS 47 Cb 0.75 -4.16 -0.04 0.00 -1.84 0.00 0.00 35.03 29.75 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 -5.74 2.90 -0.28 1.97 0.52 -1.24 -3.57 118.95 113.51 1wey s ARG 48 Ca 0.44 -1.12 -0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1wey s ARG 48 Cb -0.26 -2.58 0.14 0.00 0.52 0.00 0.00 34.95 32.77 1wey s ARG 48 CO 0.54 0.25 0.31 0.08 0.02 0.00 0.00 175.30 176.51 1wey s VAL 49 N -2.19 -0.45 -0.22 3.52 1.01 -0.56 -0.47 120.40 121.05 1wey s VAL 49 Ca 0.37 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 1wey s VAL 49 Cb -0.07 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1wey s VAL 49 CO 0.26 -0.40 0.81 -0.60 0.00 0.00 0.00 175.10 175.17 1wey s ARG 50 N 2.40 4.22 -0.33 2.72 3.52 0.40 -0.96 118.95 130.91 1wey s ARG 50 Ca 0.09 0.94 -0.01 0.00 -0.13 0.00 0.00 55.73 56.62 1wey s ARG 50 Cb -0.14 -3.62 0.07 0.00 -1.56 0.00 0.00 34.95 29.71 1wey s ARG 50 CO -0.30 -0.44 0.06 0.42 -0.81 0.00 0.00 175.30 174.23 1wey s ILE 51 N 2.55 2.95 -0.17 4.11 1.01 0.27 0.06 121.20 131.97 1wey s ILE 51 Ca 0.35 -1.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.08 1wey s ILE 51 Cb -0.16 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1wey s ILE 51 CO 0.09 -0.33 0.63 0.20 0.00 0.00 0.00 174.94 175.53 1wey s ASN 52 N 1.37 6.73 0.35 3.58 0.01 0.36 -1.71 114.94 125.64 1wey s ASN 52 Ca 0.00 0.89 0.04 0.00 -0.71 0.00 0.00 52.86 53.09 1wey s ASN 52 Cb -0.21 -2.35 0.06 0.00 0.41 0.00 0.00 41.25 39.16 1wey s ASN 52 CO -0.03 -0.23 0.45 0.49 -1.51 0.00 0.00 177.10 176.27 1wey n PHE 53 N 4.76 -2.70 0.74 2.20 3.01 -1.10 -0.80 117.46 123.56 1wey n PHE 53 Ca -0.02 -1.12 0.10 0.00 1.01 0.00 0.00 57.45 57.42 1wey n PHE 53 Cb 0.50 -0.31 -0.13 0.00 -0.01 0.00 0.00 39.48 39.53 1wey n PHE 53 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1wey n SER 54 N -2.69 0.79 -3.69 4.37 3.41 -1.26 -4.67 113.62 109.87 1wey n SER 54 Ca 0.09 -0.76 -0.14 0.00 -0.26 0.00 0.00 58.87 57.80 1wey n SER 54 Cb 0.32 1.22 -0.08 0.00 -0.26 0.00 0.00 64.21 65.41 1wey n SER 54 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wey s ASN 55 N -3.26 -0.40 0.00 4.04 2.20 -1.26 -5.02 114.94 111.24 1wey s ASN 55 Ca 0.04 0.55 0.15 0.00 -0.94 0.00 0.00 52.86 52.66 1wey s ASN 55 Cb 0.15 0.61 0.69 0.00 -2.00 0.00 0.00 41.25 40.70 1wey s ASN 55 CO 0.84 -0.36 1.43 -0.81 -2.94 0.00 0.00 177.10 175.25 1wey n PRO 56 N 1.83 0.13 0.16 3.55 -0.04 -1.26 -3.45 135.00 135.92 1wey n PRO 56 Ca -0.18 0.19 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 1wey n PRO 56 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.40 -0.39 1.53 3.38 -1.97 -3.33 115.31 114.12 1wey h LEU 57 Ca 0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1wey h LEU 57 Cb 0.18 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1wey h LEU 57 CO 0.00 -0.05 0.16 -1.28 0.09 0.00 0.00 178.44 177.36 1wey h SER 58 N -0.97 0.19 -1.38 -0.43 0.87 -1.99 -2.00 113.55 107.85 1wey h SER 58 Ca -0.05 0.04 0.43 0.00 -1.23 0.00 0.00 61.79 60.98 1wey h SER 58 Cb 0.37 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 62.24 1wey h SER 58 CO 0.08 0.15 0.95 0.00 -0.53 0.00 0.00 176.83 177.48 1wey n ALA 59 N -2.33 1.34 0.01 6.23 0.00 -1.22 -0.43 120.51 124.11 1wey n ALA 59 Ca 0.02 0.62 -0.01 0.00 0.00 0.00 0.00 53.44 54.06 1wey n ALA 59 Cb 0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 1.04 -0.13 -1.01 0.00 0.00 -1.47 -3.25 119.26 114.45 1wey h ALA 60 Ca 0.74 -0.02 0.41 0.00 0.00 0.00 0.00 54.91 56.04 1wey h ALA 60 Cb 2.71 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 20.36 1wey h ALA 60 CO -0.19 -0.12 0.55 -0.44 0.00 0.00 0.00 179.25 179.05 1wey h ASP 61 N -0.66 0.34 0.04 0.00 3.32 -0.77 0.50 116.42 119.20 1wey h ASP 61 Ca -0.01 0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.30 1wey h ASP 61 Cb 0.07 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1wey h ASP 61 CO 0.02 -0.40 -0.09 0.00 -1.72 0.00 0.00 179.24 177.04 1wey h ALA 62 N 1.97 -0.14 -0.10 3.45 0.00 -1.35 -1.20 119.26 121.89 1wey h ALA 62 Ca 0.84 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.78 1wey h ALA 62 Cb 2.19 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 20.07 1wey h ALA 62 CO -0.74 -0.60 -0.39 -0.09 0.00 0.00 0.00 179.25 177.43 1wey h ARG 63 N -0.18 -0.46 -0.92 0.00 2.43 -0.03 0.60 114.38 115.82 1wey h ARG 63 Ca 0.02 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.34 1wey h ARG 63 Cb 0.20 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 1wey h ARG 63 CO -0.06 -0.31 0.55 1.37 -1.51 0.00 0.00 179.97 180.01 1wey h LEU 64 N -0.48 0.79 -0.96 3.80 8.10 -1.37 0.14 115.31 125.33 1wey h LEU 64 Ca 0.08 0.05 -0.03 0.00 0.11 0.00 0.00 57.88 58.09 1wey h LEU 64 Cb 0.61 -0.10 -0.00 0.00 -0.44 0.00 0.00 40.66 40.72 1wey h LEU 64 CO -0.36 0.42 -0.13 0.03 -4.11 0.00 0.00 178.44 174.29 1wey h ARG 65 N 0.88 0.00 0.00 0.17 3.08 0.01 -3.46 114.38 115.06 1wey h ARG 65 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 1wey h ARG 65 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1wey h ARG 65 CO -0.27 0.13 0.00 1.28 -1.07 0.00 0.00 179.97 180.04 1wey n LEU 66 N -3.22 0.00 0.00 3.04 4.77 0.20 -4.93 117.00 116.86 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 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1wey n LEU 66 CO 0.32 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.95 1wey n HIS 67 N 0.00 0.00 -0.42 -1.77 -0.00 -1.23 -3.91 115.22 107.90 1wey n HIS 67 Ca 0.00 0.00 0.33 0.00 0.46 0.00 0.00 57.72 58.51 1wey n HIS 67 Cb 0.00 0.00 0.53 0.00 -0.12 0.00 0.00 29.99 30.40 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 3.55 -0.01 -1.02 1.57 5.02 -0.51 -3.22 118.16 123.54 1wey n LYS 68 Ca 0.00 0.83 -0.40 0.00 -2.02 0.00 0.00 58.31 56.72 1wey n LYS 68 Cb 0.00 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.20 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 -3.75 0.00 -1.78 -0.18 -2.24 -1.25 -3.92 114.28 101.15 1wey n THR 69 Ca 0.30 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.86 1wey n THR 69 Cb 1.26 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 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 0.11 2.07 -0.54 -0.78 2.02 -1.26 -3.28 118.70 117.04 1wey s GLU 70 Ca 0.62 0.27 -0.28 0.00 0.02 0.00 0.00 54.97 55.60 1wey s GLU 70 Cb -0.86 -4.85 0.01 0.00 0.10 0.00 0.00 34.13 28.53 1wey s GLU 70 CO 0.39 -3.84 1.39 0.12 0.02 0.00 0.00 175.26 173.34 1wey s PHE 71 N 12.43 2.34 -1.67 1.61 5.36 0.10 -3.44 117.98 134.72 1wey s PHE 71 Ca 0.83 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 1wey s PHE 71 Cb -0.11 -4.40 0.00 0.00 -0.34 0.00 0.00 43.02 38.18 1wey s PHE 71 CO 0.07 -1.92 0.00 1.28 -1.46 0.00 0.00 175.22 173.19 1wey n LEU 72 N 9.33 -1.78 0.00 6.12 4.77 -1.26 -1.02 117.00 133.16 1wey n LEU 72 Ca 0.13 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1wey n LEU 72 Cb 0.49 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.79 1wey n LEU 72 CO 0.71 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1wey n GLY 73 N -0.94 3.20 3.48 -0.72 0.00 -1.22 -5.03 105.19 103.95 1wey n GLY 73 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.49 3.68 0.29 1.61 -0.14 -0.19 -4.95 119.74 119.57 1wey s LYS 74 Ca 0.00 -0.49 -0.29 0.00 -1.36 0.00 0.00 55.97 53.83 1wey s LYS 74 Cb 0.00 -3.10 -0.10 0.00 -1.68 0.00 0.00 37.83 32.95 1wey s LYS 74 CO 0.00 0.06 1.35 -2.00 -0.76 0.00 0.00 175.35 174.00 1wey s GLU 75 N 0.88 4.33 0.10 1.68 2.12 -1.26 0.00 118.70 126.54 1wey s GLU 75 Ca 0.01 2.23 0.09 0.00 0.36 0.00 0.00 54.97 57.67 1wey s GLU 75 Cb -0.14 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 1wey s GLU 75 CO 0.02 -0.27 -0.21 1.41 -0.54 0.00 0.00 175.26 175.66 1wey s MET 76 N -1.18 1.72 0.35 4.30 -2.45 -1.20 -4.58 119.30 116.26 1wey s MET 76 Ca 0.53 -1.19 0.07 0.00 -1.25 0.00 0.00 55.69 53.85 1wey s MET 76 Cb -0.40 -2.05 -0.01 0.00 1.25 0.00 0.00 34.83 33.62 1wey s MET 76 CO 0.49 0.49 0.46 0.15 1.05 0.00 0.00 175.02 177.65 1wey s LYS 77 N -1.90 3.03 -0.20 4.11 1.02 -0.28 -1.43 119.74 124.10 1wey s LYS 77 Ca 0.16 -1.08 -0.16 0.00 0.02 0.00 0.00 55.97 54.91 1wey s LYS 77 Cb -0.10 -2.77 0.06 0.00 -0.52 0.00 0.00 37.83 34.49 1wey s LYS 77 CO 0.07 0.02 0.51 -0.51 -0.92 0.00 0.00 175.35 174.53 1wey s LEU 78 N -4.18 -0.12 0.06 3.17 1.43 -1.26 -0.99 118.68 116.79 1wey s LEU 78 Ca 0.46 1.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 1wey s LEU 78 Cb -0.09 1.76 -0.03 0.00 0.03 0.00 0.00 46.19 47.86 1wey s LEU 78 CO 0.31 -0.19 -0.12 -0.31 0.23 0.00 0.00 176.35 176.26 1wey s TYR 79 N 0.69 1.06 -0.26 0.29 1.51 0.42 -4.97 117.35 116.09 1wey s TYR 79 Ca -0.03 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.30 1wey s TYR 79 Cb -0.05 -0.61 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 1wey s TYR 79 CO -0.05 0.02 1.37 -0.06 -1.11 0.00 0.00 175.55 175.72 1wey s PHE 80 N -1.19 2.58 -0.67 2.71 0.08 -1.26 0.03 117.98 120.25 1wey s PHE 80 Ca -0.03 0.81 -0.27 0.00 0.12 0.00 0.00 56.93 57.56 1wey s PHE 80 Cb -0.09 -3.86 0.03 0.00 -0.57 0.00 0.00 43.02 38.53 1wey s PHE 80 CO 0.02 -2.01 1.22 0.00 -0.10 0.00 0.00 175.22 174.35 1wey s ALA 81 N 4.40 2.87 0.40 5.36 0.00 -0.75 -4.43 121.76 129.60 1wey s ALA 81 Ca 0.59 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1wey s ALA 81 Cb -0.19 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.78 1wey s ALA 81 CO 0.23 -3.01 0.00 0.94 0.00 0.00 0.00 175.76 173.92 1wey n GLN 82 N 8.90 0.00 -4.05 0.00 7.27 -1.26 -3.65 117.38 124.58 1wey n GLN 82 Ca 0.05 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.02 1wey n GLN 82 Cb 0.49 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.07 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 0.00 -1.20 1.69 -4.23 -1.26 -5.08 115.64 103.57 1wey s THR 83 Ca 0.00 -1.57 -0.20 0.00 -1.18 0.00 0.00 61.69 58.74 1wey s THR 83 Cb 0.00 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.55 1wey s THR 83 CO 0.00 0.00 1.75 -0.76 -0.54 0.00 0.00 174.62 175.07 1wey s LEU 84 N -3.07 3.54 -0.37 4.79 1.02 -1.26 -4.85 118.68 118.49 1wey s LEU 84 Ca 0.27 -1.96 0.00 0.00 0.02 0.00 0.00 54.13 52.46 1wey s LEU 84 Cb 0.01 -2.58 0.13 0.00 0.02 0.00 0.00 46.19 43.77 1wey s LEU 84 CO 0.10 -1.81 0.19 -2.28 0.02 0.00 0.00 176.35 172.58 1wey s HIS 85 N 6.43 1.42 0.03 0.29 2.46 -1.26 -4.94 115.29 119.71 1wey s HIS 85 Ca 0.57 -1.91 0.00 0.00 0.47 0.00 0.00 55.06 54.20 1wey s HIS 85 Cb 0.01 -1.49 0.00 0.00 -0.13 0.00 0.00 32.58 30.98 1wey s HIS 85 CO 0.06 -0.82 0.00 -0.89 -2.47 0.00 0.00 174.74 170.61 1wey n ILE 86 N 4.13 0.30 0.00 0.89 5.41 -1.26 -5.00 119.36 123.83 1wey n ILE 86 Ca 0.06 0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.91 1wey n ILE 86 Cb 0.38 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1wey n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wey n GLY 87 N 3.04 0.86 3.25 7.39 0.00 -1.26 -5.14 105.19 113.33 1wey n GLY 87 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1wey n GLY 87 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wey s SER 88 N -1.59 0.63 -0.14 1.61 0.15 -1.26 -5.15 113.70 107.95 1wey s SER 88 Ca 0.00 -1.37 -0.09 0.00 0.70 0.00 0.00 55.95 55.19 1wey s SER 88 Cb 0.00 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 1wey s SER 88 CO 0.00 -0.78 0.16 -0.94 1.20 0.00 0.00 173.24 172.88 1wey s SER 89 N -3.22 6.36 0.39 5.45 1.04 -1.26 -5.06 113.70 117.41 1wey s SER 89 Ca 0.37 0.43 -0.25 0.00 0.48 0.00 0.00 55.95 56.98 1wey s SER 89 Cb 0.07 -2.09 -0.11 0.00 0.10 0.00 0.00 66.02 63.99 1wey s SER 89 CO 0.12 0.32 1.08 0.00 0.98 0.00 0.00 173.24 175.74 1wey n HIS 90 N 2.53 1.45 -1.25 5.02 1.44 -1.26 -4.64 115.22 118.52 1wey n HIS 90 Ca -0.18 0.57 0.00 0.00 -2.01 0.00 0.00 57.72 56.10 1wey n HIS 90 Cb 0.54 -2.27 0.00 0.00 0.12 0.00 0.00 29.99 28.37 1wey n HIS 90 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1wey n LEU 91 N 0.59 -1.54 -3.63 2.39 0.00 -1.26 -5.09 117.00 108.46 1wey n LEU 91 Ca 0.08 2.31 -0.09 0.00 0.00 0.00 0.00 56.01 58.32 1wey n LEU 91 Cb 0.38 -2.23 -0.02 0.00 0.00 0.00 0.00 43.42 41.55 1wey n LEU 91 CO 0.58 -0.31 0.49 0.00 0.00 0.00 0.00 177.39 178.15 1wey s ALA 92 N -4.47 -1.48 0.97 1.96 0.00 -1.26 -5.18 121.76 112.30 1wey s ALA 92 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.03 1wey s ALA 92 Cb 0.00 0.80 0.17 0.00 0.00 0.00 0.00 23.12 24.10 1wey s ALA 92 CO 0.00 -0.90 1.09 -1.25 0.00 0.00 0.00 175.76 174.71 1wey s PRO 93 N -3.71 0.64 0.63 0.00 0.04 -1.26 -5.02 135.00 126.32 1wey s PRO 93 Ca 0.06 0.60 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 1wey s PRO 93 Cb -0.03 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1wey s PRO 93 CO -0.03 -2.61 1.12 -1.25 0.04 0.00 0.00 177.00 174.27 1wey s PRO 94 N -4.96 2.95 -0.87 0.56 0.04 -1.26 -5.00 135.00 126.46 1wey s PRO 94 Ca 0.65 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 1wey s PRO 94 Cb -0.18 -1.97 0.22 0.00 0.04 0.00 0.00 34.50 32.61 1wey s PRO 94 CO 0.57 -1.14 0.77 1.21 0.04 0.00 0.00 177.00 178.45 1wey s ASN 95 N -2.34 6.14 -0.17 6.66 2.47 -1.26 -5.05 114.94 121.38 1wey s ASN 95 Ca 0.69 -3.45 -0.29 0.00 0.42 0.00 0.00 52.86 50.23 1wey s ASN 95 Cb -0.22 -1.97 -0.03 0.00 -1.45 0.00 0.00 41.25 37.58 1wey s ASN 95 CO 0.37 -0.27 1.57 -2.16 -3.72 0.00 0.00 177.10 172.90 1wey s PRO 96 N -0.96 3.96 0.12 0.43 0.04 -1.26 -5.01 135.00 132.32 1wey s PRO 96 Ca 0.25 1.79 0.07 0.00 0.04 0.00 0.00 61.00 63.15 1wey s PRO 96 Cb -0.10 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 1wey s PRO 96 CO -0.10 -1.09 -0.08 -0.51 0.04 0.00 0.00 177.00 175.26 1wey s ASP 97 N 3.67 4.49 1.18 6.66 1.01 -1.26 -5.12 116.67 127.29 1wey s ASP 97 Ca 0.69 -0.38 -0.15 0.00 0.71 0.00 0.00 52.55 53.42 1wey s ASP 97 Cb -0.27 -0.88 0.28 0.00 1.01 0.00 0.00 42.92 43.06 1wey s ASP 97 CO 0.27 0.16 1.03 -1.59 0.21 0.00 0.00 175.17 175.26 1wey s LYS 98 N -2.35 -1.00 0.40 8.23 -2.85 -1.26 -5.05 119.74 115.86 1wey s LYS 98 Ca 0.23 0.54 0.08 0.00 -1.00 0.00 0.00 55.97 55.81 1wey s LYS 98 Cb -0.11 -1.57 -0.00 0.00 -2.06 0.00 0.00 37.83 34.09 1wey s LYS 98 CO 0.15 -3.70 0.50 -1.54 0.10 0.00 0.00 175.35 170.86 1wey s SER 99 N -2.97 5.62 0.33 0.03 1.04 -1.26 -5.14 113.70 111.35 1wey s SER 99 Ca 0.68 -0.42 0.07 0.00 0.48 0.00 0.00 55.95 56.76 1wey s SER 99 Cb -0.20 -0.79 -0.03 0.00 0.10 0.00 0.00 66.02 65.10 1wey s SER 99 CO 0.61 -0.65 0.27 0.61 0.98 0.00 0.00 173.24 175.06 1wey n GLY 100 N -1.73 2.96 3.58 7.32 0.00 -1.26 -5.17 105.19 110.89 1wey n GLY 100 Ca 0.05 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1wey n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wey s PRO 101 N -3.34 -1.53 0.00 1.61 0.04 -1.26 -5.08 135.00 125.44 1wey s PRO 101 Ca 0.38 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1wey s PRO 101 Cb 0.02 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1wey s PRO 101 CO 0.27 -3.89 0.00 0.43 0.04 0.00 0.00 177.00 173.84 1wey n SER 102 N -4.87 0.00 -3.88 6.66 7.64 -1.26 -5.16 113.62 112.75 1wey n SER 102 Ca 0.15 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 1wey n SER 102 Cb 0.60 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 1wey n SER 102 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wey s SER 103 N 0.55 0.07 0.00 6.43 1.04 -1.26 -5.37 113.70 115.15 1wey s SER 103 Ca 0.00 -1.05 0.30 0.00 0.48 0.00 0.00 55.95 55.68 1wey s SER 103 Cb 0.00 0.59 1.47 0.00 0.10 0.00 0.00 66.02 68.18 1wey s SER 103 CO 0.00 -1.15 1.98 0.61 0.98 0.00 0.00 173.24 175.66