#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 -4.53 -4.51 1.61 2.88 -1.26 -5.01 113.62 102.79 1wey n SER 2 Ca 0.00 -0.53 -0.30 0.00 -1.33 0.00 0.00 58.87 56.71 1wey n SER 2 Cb 0.00 -4.75 -0.11 0.00 -0.75 0.00 0.00 64.21 58.60 1wey n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wey s SER 3 N -3.67 4.08 0.00 -3.46 1.04 -1.26 -5.11 113.70 105.32 1wey s SER 3 Ca 0.34 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1wey s SER 3 Cb -0.15 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.27 1wey s SER 3 CO 0.68 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.72 1wey n GLY 4 N 1.09 3.18 3.26 7.32 0.00 -1.26 -5.18 105.19 113.59 1wey n GLY 4 Ca -0.15 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 -0.08 -0.08 1.61 0.01 -1.26 -5.06 113.70 108.84 1wey s SER 5 Ca 0.00 -0.38 0.14 0.00 1.31 0.00 0.00 55.95 57.02 1wey s SER 5 Cb 0.00 0.39 0.27 0.00 0.21 0.00 0.00 66.02 66.89 1wey s SER 5 CO 0.00 -0.72 1.15 -0.24 0.41 0.00 0.00 173.24 173.84 1wey n SER 6 N 0.13 -0.05 -4.80 2.44 2.88 -1.26 -4.64 113.62 108.31 1wey n SER 6 Ca -0.17 -2.03 -0.31 0.00 -1.33 0.00 0.00 58.87 55.03 1wey n SER 6 Cb 0.62 0.05 0.06 0.00 -0.75 0.00 0.00 64.21 64.19 1wey n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wey s GLY 7 N -1.71 1.70 -0.01 0.46 0.00 -1.26 -3.42 107.32 103.07 1wey s GLY 7 Ca 0.16 0.17 -0.01 0.00 0.00 0.00 0.00 44.72 45.05 1wey s GLY 7 CO -0.08 0.50 0.03 1.08 0.00 0.00 0.00 173.10 174.63 1wey s LEU 8 N -5.63 1.76 -0.54 0.66 1.43 0.41 -2.44 118.68 114.32 1wey s LEU 8 Ca 0.60 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 1wey s LEU 8 Cb -0.15 0.09 0.13 0.00 0.03 0.00 0.00 46.19 46.29 1wey s LEU 8 CO 0.54 -0.03 0.47 -0.63 0.23 0.00 0.00 176.35 176.94 1wey s ILE 9 N 0.17 4.91 -0.13 -0.59 -1.09 0.73 -0.24 121.20 124.96 1wey s ILE 9 Ca -0.01 -1.68 -0.13 0.00 -2.23 0.00 0.00 60.65 56.60 1wey s ILE 9 Cb -0.02 -4.16 -0.05 0.00 -1.58 0.00 0.00 42.46 36.65 1wey s ILE 9 CO -0.00 -0.85 0.28 0.00 -1.23 0.00 0.00 174.94 173.13 1wey s ALA 10 N 1.40 3.66 -0.28 9.38 0.00 0.42 0.16 121.76 136.51 1wey s ALA 10 Ca 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 1wey s ALA 10 Cb -0.27 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.57 1wey s ALA 10 CO 0.01 0.25 0.01 0.00 0.00 0.00 0.00 175.76 176.03 1wey s VAL 12 N 1.39 4.54 -0.13 0.00 1.01 -1.26 -1.39 120.40 124.56 1wey s VAL 12 Ca 0.00 -0.45 0.17 0.00 0.00 0.00 0.00 61.98 61.70 1wey s VAL 12 Cb -0.17 -3.05 -0.23 0.00 0.00 0.00 0.00 36.38 32.92 1wey s VAL 12 CO -0.01 0.38 0.42 0.00 0.00 0.00 0.00 175.10 175.89 1wey n ALA 13 N 1.32 1.70 -2.15 5.51 0.00 -1.26 -4.81 120.51 120.82 1wey n ALA 13 Ca -0.14 -0.95 -0.39 0.00 0.00 0.00 0.00 53.44 51.96 1wey n ALA 13 Cb 0.53 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 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 -5.62 5.47 0.54 0.00 0.01 -1.26 -4.82 114.94 109.25 1wey s ASN 14 Ca -0.07 0.18 0.32 0.00 -0.71 0.00 0.00 52.86 52.58 1wey s ASN 14 Cb 0.08 -2.54 1.72 0.00 0.41 0.00 0.00 41.25 40.92 1wey s ASN 14 CO 0.83 -2.26 1.96 0.44 -1.51 0.00 0.00 177.10 176.56 1wey h ASP 15 N 13.90 0.00 0.91 -1.22 3.32 -2.02 0.14 116.42 131.44 1wey h ASP 15 Ca -0.26 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1wey h ASP 15 Cb 1.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1wey h ASP 15 CO 1.23 0.00 -0.11 0.44 -1.72 0.00 0.00 179.24 179.08 1wey h ASP 16 N 0.00 0.00 0.80 6.45 5.19 -1.97 -2.57 116.42 124.32 1wey h ASP 16 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1wey h ASP 16 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1wey h ASP 16 CO 0.00 0.11 0.00 0.58 -3.12 0.00 0.00 179.24 176.81 1wey h VAL 17 N 0.00 0.00 -0.22 -1.35 2.07 -1.07 -2.44 116.25 113.24 1wey h VAL 17 Ca -0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1wey h VAL 17 Cb 0.59 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1wey h VAL 17 CO 0.01 0.00 0.02 0.49 0.02 0.00 0.00 177.57 178.11 1wey n PHE 18 N -2.91 0.77 -4.17 1.57 3.01 -0.97 -4.18 117.46 110.59 1wey n PHE 18 Ca 0.00 -0.31 -0.28 0.00 1.01 0.00 0.00 57.45 57.88 1wey n PHE 18 Cb 0.25 -0.27 -0.17 0.00 -0.01 0.00 0.00 39.48 39.29 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 -0.24 2.32 0.00 4.37 0.15 -0.92 -4.99 113.70 114.39 1wey s SER 19 Ca 0.19 -0.38 0.06 0.00 0.70 0.00 0.00 55.95 56.53 1wey s SER 19 Cb 0.15 -0.99 0.29 0.00 -1.71 0.00 0.00 66.02 63.76 1wey s SER 19 CO 0.06 -0.05 1.14 -1.84 1.20 0.00 0.00 173.24 173.75 1wey n GLU 20 N 4.56 0.04 -0.34 5.44 0.28 -1.26 -3.21 120.64 126.14 1wey n GLU 20 Ca -0.17 0.33 -0.07 0.00 -0.16 0.00 0.00 57.16 57.09 1wey n GLU 20 Cb 0.51 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.82 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 -1.41 -0.80 0.00 -1.84 7.64 -1.26 -4.75 113.62 111.19 1wey n SER 21 Ca 0.02 1.46 0.00 0.00 1.01 0.00 0.00 58.87 61.37 1wey n SER 21 Cb 0.06 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 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 -5.07 0.00 -0.32 1.43 4.07 -1.24 -4.98 120.64 114.53 1wey n GLU 22 Ca 0.03 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.23 1wey n GLU 22 Cb 0.24 0.00 0.21 0.00 -0.06 0.00 0.00 31.44 31.83 1wey n GLU 22 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1wey h THR 23 N 0.00 0.10 -0.61 6.31 2.02 -1.83 0.19 112.91 119.09 1wey h THR 23 Ca 0.00 -0.01 0.12 0.00 0.77 0.00 0.00 66.41 67.29 1wey h THR 23 Cb 0.00 0.07 -0.12 0.00 -1.74 0.00 0.00 68.15 66.36 1wey h THR 23 CO 0.00 0.00 -0.27 -0.09 0.37 0.00 0.00 175.52 175.53 1wey h ARG 24 N 0.03 -0.10 -1.04 6.66 2.43 -1.71 0.24 114.38 120.88 1wey h ARG 24 Ca 0.51 0.01 0.36 0.00 -0.81 0.00 0.00 59.98 60.05 1wey h ARG 24 Cb 0.95 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 30.37 1wey h ARG 24 CO -0.89 -0.07 0.60 0.00 -1.51 0.00 0.00 179.97 178.11 1wey h ALA 25 N 1.25 2.12 -0.90 2.80 0.00 -0.91 0.92 119.26 124.54 1wey h ALA 25 Ca 0.27 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1wey h ALA 25 Cb 0.53 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1wey h ALA 25 CO -0.68 -0.77 0.50 0.87 0.00 0.00 0.00 179.25 179.17 1wey h LYS 26 N 0.22 1.24 -0.07 0.00 1.57 -0.55 0.22 116.57 119.20 1wey h LYS 26 Ca 0.77 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 59.29 1wey h LYS 26 Cb 1.93 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 34.00 1wey h LYS 26 CO -0.61 0.90 -0.42 0.35 -0.57 0.00 0.00 179.45 179.10 1wey h PHE 27 N 1.25 0.56 0.81 -1.35 3.04 0.84 -3.29 116.94 118.81 1wey h PHE 27 Ca 0.32 -0.25 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 1wey h PHE 27 Cb 0.01 -0.09 0.01 0.00 2.56 0.00 0.00 35.95 38.45 1wey h PHE 27 CO 0.01 1.01 -0.39 0.93 -2.02 0.00 0.00 178.31 177.85 1wey h GLU 28 N -0.05 -1.05 -0.73 1.11 5.08 -0.80 -3.04 114.58 115.11 1wey h GLU 28 Ca -0.03 0.07 0.27 0.00 -1.00 0.00 0.00 59.36 58.67 1wey h GLU 28 Cb 1.07 0.24 -0.13 0.00 0.50 0.00 0.00 28.75 30.43 1wey h GLU 28 CO 0.09 -0.69 0.26 0.45 -1.00 0.00 0.00 179.01 178.11 1wey n SER 29 N -5.50 0.13 0.04 1.42 2.88 0.77 0.32 113.62 113.69 1wey n SER 29 Ca -0.14 1.22 -0.15 0.00 -1.33 0.00 0.00 58.87 58.48 1wey n SER 29 Cb 0.43 -0.54 -0.09 0.00 -0.75 0.00 0.00 64.21 63.26 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 -1.54 0.18 2.46 3.38 -1.59 0.35 115.31 118.54 1wey h LEU 30 Ca 0.56 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.69 1wey h LEU 30 Cb 1.38 0.59 0.00 0.00 0.09 0.00 0.00 40.66 42.72 1wey h LEU 30 CO -0.60 -0.48 -0.09 -0.26 0.09 0.00 0.00 178.44 177.10 1wey h PHE 31 N -0.61 -0.22 -0.83 1.13 -1.00 -0.23 -3.31 116.94 111.86 1wey h PHE 31 Ca 0.01 -0.01 0.16 0.00 2.81 0.00 0.00 57.97 60.95 1wey h PHE 31 Cb 0.66 0.07 -0.15 0.00 3.61 0.00 0.00 35.95 40.14 1wey h PHE 31 CO -0.52 0.19 -0.25 -0.09 -1.61 0.00 0.00 178.31 176.02 1wey h ARG 32 N -0.88 -0.02 -0.92 1.51 1.12 -0.78 0.30 114.38 114.71 1wey h ARG 32 Ca -0.02 0.00 0.34 0.00 -1.11 0.00 0.00 59.98 59.19 1wey h ARG 32 Cb 0.51 0.00 -0.17 0.00 -0.01 0.00 0.00 29.97 30.31 1wey h ARG 32 CO 0.04 -0.01 0.35 2.41 -3.11 0.00 0.00 179.97 179.64 1wey n THR 33 N -5.52 -0.39 0.00 0.20 -1.04 0.12 -1.72 114.28 105.93 1wey n THR 33 Ca 0.11 1.91 0.00 0.00 -2.04 0.00 0.00 64.05 64.03 1wey n THR 33 Cb 0.42 -3.00 0.00 0.00 -1.82 0.00 0.00 70.33 65.92 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 -5.16 0.00 -4.17 -1.42 4.01 0.10 -4.87 117.16 105.65 1wey n TYR 34 Ca 0.31 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.73 1wey n TYR 34 Cb 1.03 -0.45 -0.08 0.00 -0.31 0.00 0.00 39.34 39.54 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 -2.41 5.23 0.01 7.72 2.15 -0.70 -5.02 116.67 123.64 1wey s ASP 35 Ca 0.00 -0.05 0.20 0.00 0.43 0.00 0.00 52.55 53.13 1wey s ASP 35 Cb 0.00 -1.35 -0.20 0.00 -0.30 0.00 0.00 42.92 41.07 1wey s ASP 35 CO 0.00 0.23 0.61 2.29 -0.17 0.00 0.00 175.17 178.13 1wey n LYS 36 N 0.93 0.64 -0.74 4.34 2.85 -1.26 -4.10 118.16 120.83 1wey n LYS 36 Ca -0.12 0.03 -0.08 0.00 -1.05 0.00 0.00 58.31 57.09 1wey n LYS 36 Cb 0.52 -1.67 0.18 0.00 -0.65 0.00 0.00 35.03 33.41 1wey n LYS 36 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wey n ASP 37 N -2.63 3.78 -4.68 -5.58 2.03 -1.26 -4.91 116.55 103.30 1wey n ASP 37 Ca -0.11 -2.91 -0.40 0.00 0.52 0.00 0.00 54.79 51.90 1wey n ASP 37 Cb 0.77 -0.69 -0.06 0.00 -0.72 0.00 0.00 41.12 40.42 1wey n ASP 37 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1wey s THR 38 N -2.21 5.05 -0.15 5.18 -4.23 -1.26 -4.54 115.64 113.48 1wey s THR 38 Ca 0.38 1.21 -0.07 0.00 -1.18 0.00 0.00 61.69 62.03 1wey s THR 38 Cb 0.31 -3.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1wey s THR 38 CO 0.09 0.18 0.08 0.42 -0.54 0.00 0.00 174.62 174.85 1wey s THR 39 N 1.43 5.01 -0.15 3.99 -4.23 0.03 -4.93 115.64 116.80 1wey s THR 39 Ca 0.30 0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 1wey s THR 39 Cb -0.16 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 1wey s THR 39 CO 0.12 0.53 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.33 1wey s PHE 40 N -0.25 3.02 -0.28 3.99 0.40 -1.26 -0.17 117.98 123.43 1wey s PHE 40 Ca 0.09 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1wey s PHE 40 Cb -0.12 -1.94 0.07 0.00 0.51 0.00 0.00 43.02 41.54 1wey s PHE 40 CO 0.01 -0.01 -0.05 -0.65 0.70 0.00 0.00 175.22 175.22 1wey s GLN 41 N 0.28 1.93 -0.13 0.44 -0.21 0.32 -4.96 119.66 117.33 1wey s GLN 41 Ca -0.03 -1.47 -0.18 0.00 0.02 0.00 0.00 55.36 53.70 1wey s GLN 41 Cb -0.14 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 30.89 1wey s GLN 41 CO 0.03 -0.69 0.46 0.71 -2.12 0.00 0.00 175.29 173.68 1wey s TYR 42 N 1.08 3.50 -0.53 0.91 1.51 -1.26 -0.36 117.35 122.20 1wey s TYR 42 Ca -0.02 0.85 -0.03 0.00 -1.01 0.00 0.00 57.07 56.86 1wey s TYR 42 Cb -0.20 -2.53 0.14 0.00 -0.11 0.00 0.00 41.96 39.26 1wey s TYR 42 CO -0.06 0.16 0.33 -0.06 -1.11 0.00 0.00 175.55 174.81 1wey s PHE 43 N 0.66 3.48 -1.07 2.71 0.08 -0.35 -4.92 117.98 118.57 1wey s PHE 43 Ca 0.25 -2.60 0.02 0.00 0.12 0.00 0.00 56.93 54.72 1wey s PHE 43 Cb -0.15 -3.20 0.07 0.00 -0.57 0.00 0.00 43.02 39.18 1wey s PHE 43 CO 0.10 -0.90 1.02 1.17 -0.10 0.00 0.00 175.22 176.51 1wey n LYS 44 N 3.96 0.00 0.01 0.44 4.81 -1.26 0.76 118.16 126.89 1wey n LYS 44 Ca 0.03 0.44 -0.21 0.00 -0.87 0.00 0.00 58.31 57.70 1wey n LYS 44 Cb 0.39 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.80 1wey n LYS 44 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1wey h SER 45 N 0.00 0.39 -0.26 3.14 0.02 -1.95 -3.37 113.55 111.52 1wey h SER 45 Ca 0.00 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 1wey h SER 45 Cb 0.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1wey h SER 45 CO 0.00 1.63 0.00 0.49 -1.14 0.00 0.00 176.83 177.81 1wey n PHE 46 N -3.90 0.80 -2.57 3.45 3.72 -0.69 -4.95 117.46 113.32 1wey n PHE 46 Ca -0.25 -0.81 -0.04 0.00 -0.05 0.00 0.00 57.45 56.30 1wey n PHE 46 Cb 0.91 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 39.19 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 -0.37 -2.67 -3.53 -1.08 4.76 0.23 -4.86 118.16 110.64 1wey n LYS 47 Ca 0.19 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.44 1wey n LYS 47 Cb 0.79 -4.24 -0.03 0.00 -1.84 0.00 0.00 35.03 29.71 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 -4.90 2.64 -0.07 1.97 0.52 -1.14 -4.27 118.95 113.71 1wey s ARG 48 Ca 0.08 -1.42 -0.02 0.00 -0.52 0.00 0.00 55.73 53.84 1wey s ARG 48 Cb -0.04 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 32.99 1wey s ARG 48 CO 0.09 -0.13 0.05 0.08 0.02 0.00 0.00 175.30 175.42 1wey s VAL 49 N -2.41 -0.00 -0.44 3.52 1.01 -0.37 -1.21 120.40 120.50 1wey s VAL 49 Ca 0.47 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 1wey s VAL 49 Cb -0.05 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.07 1wey s VAL 49 CO 0.28 0.12 0.37 -0.60 0.00 0.00 0.00 175.10 175.28 1wey s ARG 50 N 2.12 3.00 -0.42 2.72 6.06 0.51 -0.43 118.95 132.51 1wey s ARG 50 Ca 0.04 -1.09 -0.15 0.00 -2.50 0.00 0.00 55.73 52.03 1wey s ARG 50 Cb -0.13 -4.04 0.03 0.00 0.06 0.00 0.00 34.95 30.88 1wey s ARG 50 CO -0.04 -0.89 0.32 0.42 -2.50 0.00 0.00 175.30 172.61 1wey s ILE 51 N 1.78 5.25 -0.21 4.11 1.01 0.67 -0.53 121.20 133.28 1wey s ILE 51 Ca 0.06 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 1wey s ILE 51 Cb -0.21 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1wey s ILE 51 CO 0.09 -0.37 0.39 0.20 0.00 0.00 0.00 174.94 175.25 1wey s ASN 52 N 1.89 6.41 0.39 3.58 -0.87 0.75 -0.45 114.94 126.64 1wey s ASN 52 Ca 0.05 0.48 0.06 0.00 -1.57 0.00 0.00 52.86 51.88 1wey s ASN 52 Cb -0.20 -2.23 0.06 0.00 -0.02 0.00 0.00 41.25 38.86 1wey s ASN 52 CO 0.09 -0.08 0.51 0.49 -2.57 0.00 0.00 177.10 175.54 1wey n PHE 53 N 4.56 -2.30 0.71 2.20 3.01 -1.22 -0.79 117.46 123.63 1wey n PHE 53 Ca -0.08 -1.45 0.09 0.00 1.01 0.00 0.00 57.45 57.01 1wey n PHE 53 Cb 0.51 -0.36 -0.11 0.00 -0.01 0.00 0.00 39.48 39.51 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 -2.46 0.83 -3.67 4.37 3.41 -1.26 -4.70 113.62 110.14 1wey n SER 54 Ca 0.09 -0.77 -0.15 0.00 -0.26 0.00 0.00 58.87 57.78 1wey n SER 54 Cb 0.41 1.14 -0.07 0.00 -0.26 0.00 0.00 64.21 65.43 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 -2.95 -0.35 0.00 4.04 6.03 -1.26 -5.02 114.94 115.43 1wey s ASN 55 Ca 0.05 0.26 0.15 0.00 -1.03 0.00 0.00 52.86 52.29 1wey s ASN 55 Cb 0.13 0.40 0.87 0.00 -3.03 0.00 0.00 41.25 39.62 1wey s ASN 55 CO 0.75 -0.53 1.38 -0.81 -2.03 0.00 0.00 177.10 175.86 1wey n PRO 56 N 1.04 0.38 -0.00 3.55 -0.04 -1.26 -3.58 135.00 135.08 1wey n PRO 56 Ca -0.20 0.06 -0.00 0.00 -0.04 0.00 0.00 63.50 63.31 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 -0.02 -0.56 1.53 3.38 -1.97 -3.36 115.31 114.31 1wey h LEU 57 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1wey h LEU 57 Cb 0.06 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.70 1wey h LEU 57 CO 0.00 0.12 -0.29 -1.28 0.09 0.00 0.00 178.44 177.08 1wey h SER 58 N -0.31 -0.99 -0.87 -0.43 0.87 -1.99 0.86 113.55 110.69 1wey h SER 58 Ca -0.00 0.21 0.33 0.00 -1.23 0.00 0.00 61.79 61.10 1wey h SER 58 Cb 0.02 0.51 -0.12 0.00 -0.44 0.00 0.00 62.40 62.38 1wey h SER 58 CO 0.00 -0.28 0.52 0.00 -0.53 0.00 0.00 176.83 176.54 1wey n ALA 59 N -3.10 0.88 0.14 6.23 0.00 -1.24 -0.27 120.51 123.15 1wey n ALA 59 Ca 0.04 0.71 -0.06 0.00 0.00 0.00 0.00 53.44 54.13 1wey n ALA 59 Cb 0.35 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 1.34 -0.61 -0.63 0.00 0.00 -0.96 -3.05 119.26 115.35 1wey h ALA 60 Ca 0.64 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.65 1wey h ALA 60 Cb 1.87 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 1wey h ALA 60 CO -0.47 -0.58 0.60 -0.44 0.00 0.00 0.00 179.25 178.36 1wey h ASP 61 N -0.65 0.00 0.20 0.00 5.19 -0.63 0.51 116.42 121.05 1wey h ASP 61 Ca -0.04 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 1wey h ASP 61 Cb 0.29 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1wey h ASP 61 CO 0.06 0.00 -0.37 0.00 -3.12 0.00 0.00 179.24 175.81 1wey h ALA 62 N 1.40 1.16 0.05 3.45 0.00 -0.65 -1.84 119.26 122.83 1wey h ALA 62 Ca 0.30 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wey h ALA 62 Cb 1.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1wey h ALA 62 CO -0.00 0.56 -0.03 -0.09 0.00 0.00 0.00 179.25 179.69 1wey h ARG 63 N 0.20 -0.07 -0.92 0.00 2.43 0.13 -2.63 114.38 113.53 1wey h ARG 63 Ca 0.02 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1wey h ARG 63 Cb 0.75 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.26 1wey h ARG 63 CO 0.06 0.55 0.60 1.37 -1.51 0.00 0.00 179.97 181.03 1wey h LEU 64 N -0.82 0.93 0.00 3.80 8.10 -1.51 0.16 115.31 125.96 1wey h LEU 64 Ca -0.01 0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1wey h LEU 64 Cb 0.65 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 1wey h LEU 64 CO 0.01 0.60 0.00 0.54 -4.11 0.00 0.00 178.44 175.48 1wey n ARG 65 N -4.49 0.14 0.00 0.17 1.74 -0.69 -4.85 116.66 108.67 1wey n ARG 65 Ca 0.14 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1wey n ARG 65 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1wey n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wey n LEU 66 N -1.42 0.00 0.00 0.55 4.77 0.55 -4.99 117.00 116.46 1wey n LEU 66 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1wey n LEU 66 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1wey n LEU 66 CO 0.22 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.85 1wey n HIS 67 N 0.00 0.00 -0.54 -1.77 -0.00 -1.23 -3.88 115.22 107.80 1wey n HIS 67 Ca 0.00 0.00 0.42 0.00 0.46 0.00 0.00 57.72 58.60 1wey n HIS 67 Cb 0.00 0.00 0.64 0.00 -0.12 0.00 0.00 29.99 30.51 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 4.25 0.00 -0.96 1.57 5.02 -0.14 -3.37 118.16 124.54 1wey n LYS 68 Ca 0.00 0.88 -0.36 0.00 -2.02 0.00 0.00 58.31 56.81 1wey n LYS 68 Cb 0.00 -2.04 -0.04 0.00 -0.02 0.00 0.00 35.03 32.93 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 -3.49 0.54 -2.08 -0.18 -2.24 -1.25 -3.74 114.28 101.83 1wey n THR 69 Ca 0.35 -0.13 -0.28 0.00 -2.27 0.00 0.00 64.05 61.72 1wey n THR 69 Cb 1.61 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.27 2.62 -0.62 -0.78 2.02 -1.26 -2.94 118.70 117.47 1wey s GLU 70 Ca 0.53 -0.41 -0.27 0.00 0.02 0.00 0.00 54.97 54.84 1wey s GLU 70 Cb -0.74 -5.10 -0.00 0.00 0.10 0.00 0.00 34.13 28.39 1wey s GLU 70 CO 0.37 -3.35 1.64 0.12 0.02 0.00 0.00 175.26 174.07 1wey s PHE 71 N 9.82 1.92 -1.31 1.61 5.36 0.16 -3.15 117.98 132.40 1wey s PHE 71 Ca 0.68 0.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 1wey s PHE 71 Cb -0.06 -4.27 0.00 0.00 -0.34 0.00 0.00 43.02 38.35 1wey s PHE 71 CO -0.00 -2.23 0.00 1.28 -1.46 0.00 0.00 175.22 172.81 1wey n LEU 72 N 11.26 -0.64 0.00 6.12 4.77 -1.26 -1.71 117.00 135.55 1wey n LEU 72 Ca 0.15 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1wey n LEU 72 Cb 0.51 -2.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 1wey n LEU 72 CO 0.71 -0.90 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1wey n GLY 73 N -0.43 1.29 3.75 -0.72 0.00 -1.19 -5.08 105.19 102.82 1wey n GLY 73 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.04 4.14 -0.13 1.61 -0.14 -0.69 -4.91 119.74 119.57 1wey s LYS 74 Ca 0.00 0.06 -0.29 0.00 -1.36 0.00 0.00 55.97 54.37 1wey s LYS 74 Cb 0.00 -3.39 -0.02 0.00 -1.68 0.00 0.00 37.83 32.74 1wey s LYS 74 CO 0.00 0.34 1.34 -2.00 -0.76 0.00 0.00 175.35 174.26 1wey s GLU 75 N 0.18 4.23 0.20 1.68 2.12 -1.26 0.39 118.70 126.25 1wey s GLU 75 Ca 0.16 1.77 0.04 0.00 0.36 0.00 0.00 54.97 57.29 1wey s GLU 75 Cb -0.13 -3.79 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 1wey s GLU 75 CO 0.04 -0.71 0.33 1.41 -0.54 0.00 0.00 175.26 175.79 1wey s MET 76 N 3.48 3.44 0.35 4.30 -2.45 -1.15 -4.72 119.30 122.55 1wey s MET 76 Ca 0.59 -0.67 0.09 0.00 -1.25 0.00 0.00 55.69 54.45 1wey s MET 76 Cb -0.24 -2.91 -0.06 0.00 1.25 0.00 0.00 34.83 32.86 1wey s MET 76 CO 0.18 0.46 0.01 0.15 1.05 0.00 0.00 175.02 176.87 1wey s LYS 77 N -3.65 2.04 -0.19 4.11 1.02 -0.49 -0.96 119.74 121.62 1wey s LYS 77 Ca 0.35 -1.82 -0.21 0.00 0.02 0.00 0.00 55.97 54.30 1wey s LYS 77 Cb -0.10 -1.87 0.06 0.00 -0.52 0.00 0.00 37.83 35.40 1wey s LYS 77 CO 0.29 0.10 0.58 -0.51 -0.92 0.00 0.00 175.35 174.88 1wey s LEU 78 N -3.71 -0.21 0.06 3.17 1.43 -1.26 -0.68 118.68 117.48 1wey s LEU 78 Ca 0.35 1.07 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 1wey s LEU 78 Cb 0.02 2.01 -0.03 0.00 0.03 0.00 0.00 46.19 48.22 1wey s LEU 78 CO 0.19 -0.25 -0.09 -0.31 0.23 0.00 0.00 176.35 176.12 1wey s TYR 79 N 0.09 0.82 -0.54 0.29 1.51 0.12 -4.97 117.35 114.67 1wey s TYR 79 Ca -0.02 -0.54 -0.28 0.00 -1.01 0.00 0.00 57.07 55.22 1wey s TYR 79 Cb -0.04 -0.48 0.01 0.00 -0.11 0.00 0.00 41.96 41.35 1wey s TYR 79 CO 0.02 -0.06 1.46 -0.06 -1.11 0.00 0.00 175.55 175.80 1wey s PHE 80 N -1.66 2.23 0.64 2.71 0.08 -1.26 -0.19 117.98 120.53 1wey s PHE 80 Ca -0.05 0.52 -0.18 0.00 0.12 0.00 0.00 56.93 57.34 1wey s PHE 80 Cb -0.08 -4.35 -0.01 0.00 -0.57 0.00 0.00 43.02 38.01 1wey s PHE 80 CO 0.00 -2.05 1.26 0.00 -0.10 0.00 0.00 175.22 174.34 1wey s ALA 81 N 6.23 2.40 0.02 5.36 0.00 -1.02 -4.82 121.76 129.92 1wey s ALA 81 Ca 0.56 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1wey s ALA 81 Cb -0.12 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1wey s ALA 81 CO 0.26 -1.51 0.00 0.94 0.00 0.00 0.00 175.76 175.45 1wey n GLN 82 N -1.90 0.00 -3.09 0.00 7.27 -1.26 -4.64 117.38 113.76 1wey n GLN 82 Ca 0.15 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.10 1wey n GLN 82 Cb 0.49 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.10 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 -1.21 -0.50 -0.09 1.69 -4.23 -1.26 -5.04 115.64 105.01 1wey s THR 83 Ca 0.00 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1wey s THR 83 Cb 0.00 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.36 1wey s THR 83 CO 0.00 -0.46 0.02 0.18 -0.54 0.00 0.00 174.62 173.82 1wey n LEU 84 N 3.28 -4.65 -4.71 4.79 4.32 -1.26 -4.99 117.00 113.78 1wey n LEU 84 Ca 0.20 0.64 -0.25 0.00 -0.02 0.00 0.00 56.01 56.57 1wey n LEU 84 Cb 0.52 -2.02 -0.07 0.00 -1.62 0.00 0.00 43.42 40.24 1wey n LEU 84 CO 0.03 -1.83 -0.28 -2.28 -1.22 0.00 0.00 177.39 171.81 1wey s HIS 85 N -1.17 2.93 0.02 -1.77 2.46 -1.26 -5.14 115.29 111.36 1wey s HIS 85 Ca 0.01 -0.12 -0.10 0.00 0.47 0.00 0.00 55.06 55.32 1wey s HIS 85 Cb -0.00 -1.38 0.01 0.00 -0.13 0.00 0.00 32.58 31.07 1wey s HIS 85 CO 0.21 0.53 0.20 -1.50 -2.47 0.00 0.00 174.74 171.72 1wey s ILE 86 N -1.88 0.10 0.00 0.89 2.07 -1.26 -5.13 121.20 115.99 1wey s ILE 86 Ca 0.30 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.75 1wey s ILE 86 Cb -0.09 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.74 1wey s ILE 86 CO 0.21 -0.44 0.00 0.61 -1.91 0.00 0.00 174.94 173.41 1wey n GLY 87 N 0.94 2.16 2.61 1.50 0.00 -1.26 -5.09 105.19 106.04 1wey n GLY 87 Ca -0.20 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.84 3.13 -1.18 1.61 0.15 -1.26 -5.05 113.70 110.27 1wey s SER 88 Ca 0.00 -2.77 -0.13 0.00 0.70 0.00 0.00 55.95 53.75 1wey s SER 88 Cb 0.00 -0.83 0.18 0.00 -1.71 0.00 0.00 66.02 63.67 1wey s SER 88 CO 0.00 -0.23 1.37 -0.44 1.20 0.00 0.00 173.24 175.14 1wey s SER 89 N 0.24 7.08 -0.07 5.45 0.01 -1.26 -5.00 113.70 120.16 1wey s SER 89 Ca 0.22 -3.03 -0.12 0.00 1.31 0.00 0.00 55.95 54.32 1wey s SER 89 Cb -0.15 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1wey s SER 89 CO -0.06 -0.70 0.31 -1.00 0.41 0.00 0.00 173.24 172.20 1wey s HIS 90 N 1.23 3.64 -0.12 2.43 3.76 -1.26 -5.00 115.29 119.97 1wey s HIS 90 Ca 0.40 0.78 -0.33 0.00 -0.15 0.00 0.00 55.06 55.76 1wey s HIS 90 Cb -0.04 -2.20 -0.16 0.00 1.11 0.00 0.00 32.58 31.29 1wey s HIS 90 CO -0.02 0.58 0.97 -0.11 -0.85 0.00 0.00 174.74 175.31 1wey n LEU 91 N 2.24 0.27 -4.79 0.89 7.94 -1.26 -4.92 117.00 117.38 1wey n LEU 91 Ca -0.15 0.92 -0.34 0.00 -1.11 0.00 0.00 56.01 55.33 1wey n LEU 91 Cb 0.53 -0.72 -0.07 0.00 0.53 0.00 0.00 43.42 43.69 1wey n LEU 91 CO 0.36 -1.26 -0.24 0.00 -1.11 0.00 0.00 177.39 175.14 1wey s ALA 92 N 0.69 3.61 0.75 1.96 0.00 -1.26 -5.10 121.76 122.41 1wey s ALA 92 Ca 0.75 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 1wey s ALA 92 Cb -1.05 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 20.46 1wey s ALA 92 CO 0.51 0.67 1.10 -1.25 0.00 0.00 0.00 175.76 176.78 1wey s PRO 93 N -1.51 2.35 0.55 0.00 0.04 -1.26 -5.01 135.00 130.16 1wey s PRO 93 Ca 0.21 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 62.27 1wey s PRO 93 Cb -0.12 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1wey s PRO 93 CO 0.11 -1.58 1.13 -1.25 0.04 0.00 0.00 177.00 175.45 1wey s PRO 94 N -4.74 3.32 0.02 0.56 0.04 -1.26 -5.06 135.00 127.88 1wey s PRO 94 Ca 0.62 1.59 0.05 0.00 0.04 0.00 0.00 61.00 63.31 1wey s PRO 94 Cb -0.18 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1wey s PRO 94 CO 0.53 -0.88 -0.15 1.21 0.04 0.00 0.00 177.00 177.75 1wey s ASN 95 N -1.84 1.79 0.32 6.66 3.84 -1.26 -5.13 114.94 119.31 1wey s ASN 95 Ca 0.72 -0.40 -0.29 0.00 0.21 0.00 0.00 52.86 53.10 1wey s ASN 95 Cb -0.24 -0.15 -0.10 0.00 -0.55 0.00 0.00 41.25 40.22 1wey s ASN 95 CO 0.28 0.10 1.23 -2.16 -2.79 0.00 0.00 177.10 173.76 1wey s PRO 96 N -0.87 4.45 -0.06 0.43 0.04 -1.26 -5.01 135.00 132.72 1wey s PRO 96 Ca 0.04 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 62.83 1wey s PRO 96 Cb -0.07 -3.10 0.12 0.00 0.04 0.00 0.00 34.50 31.49 1wey s PRO 96 CO 0.01 -0.05 1.36 0.34 0.04 0.00 0.00 177.00 178.70 1wey s ASP 97 N -0.65 -0.01 0.42 6.66 2.15 -1.26 -5.17 116.67 118.82 1wey s ASP 97 Ca 0.48 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.37 1wey s ASP 97 Cb -0.37 0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.33 1wey s ASP 97 CO 0.48 -0.14 0.00 1.17 -0.17 0.00 0.00 175.17 176.51 1wey n LYS 98 N -0.72 -2.52 0.00 4.34 4.81 -1.26 -5.03 118.16 117.79 1wey n LYS 98 Ca -0.02 2.02 0.00 0.00 -0.87 0.00 0.00 58.31 59.43 1wey n LYS 98 Cb 0.61 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.93 1wey n LYS 98 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1wey n SER 99 N -3.10 0.00 0.00 3.14 7.64 -1.26 -5.12 113.62 114.92 1wey n SER 99 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1wey n SER 99 Cb 0.42 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1wey n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wey n GLY 100 N 1.45 0.93 3.07 0.23 0.00 -1.26 -5.17 105.19 104.43 1wey n GLY 100 Ca 0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 -2.89 -4.34 1.61 -0.04 -1.26 -5.10 135.00 122.98 1wey n PRO 101 Ca 0.00 -1.53 -0.20 0.00 -0.04 0.00 0.00 63.50 61.73 1wey n PRO 101 Cb 0.00 -1.43 -0.08 0.00 -0.04 0.00 0.00 33.50 31.94 1wey n PRO 101 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wey s SER 102 N -4.08 1.81 0.29 3.54 0.01 -1.26 -5.18 113.70 108.82 1wey s SER 102 Ca 0.62 -1.68 0.03 0.00 1.31 0.00 0.00 55.95 56.23 1wey s SER 102 Cb -0.06 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1wey s SER 102 CO 0.48 -0.99 0.16 -0.55 0.41 0.00 0.00 173.24 172.74 1wey s SER 103 N -3.41 1.41 0.00 2.44 0.15 -1.26 -5.33 113.70 107.70 1wey s SER 103 Ca 0.36 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.47 1wey s SER 103 Cb 0.03 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1wey s SER 103 CO 0.22 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.39