#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 -4.02 0.00 1.61 2.88 -1.26 -4.95 113.62 107.88 1wey n SER 2 Ca 0.00 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1wey n SER 2 Cb 0.00 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 1wey n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wey n SER 3 N 0.30 0.00 0.00 -3.46 2.88 -1.26 -5.15 113.62 106.93 1wey n SER 3 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1wey n SER 3 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.00 0.45 3.83 0.46 0.00 -1.26 -5.16 105.19 103.50 1wey n GLY 4 Ca 0.00 0.66 -0.32 0.00 0.00 0.00 0.00 46.02 46.35 1wey n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wey s SER 5 N 0.00 6.22 0.00 1.61 0.15 -1.26 -4.85 113.70 115.57 1wey s SER 5 Ca 0.00 1.66 0.00 0.00 0.70 0.00 0.00 55.95 58.31 1wey s SER 5 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wey s SER 5 CO 0.00 -0.86 0.00 -0.24 1.20 0.00 0.00 173.24 173.34 1wey n SER 6 N -1.88 0.00 -4.04 5.45 2.88 -1.26 -4.07 113.62 110.69 1wey n SER 6 Ca 0.07 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.25 1wey n SER 6 Cb 0.54 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.02 1wey n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wey n GLY 7 N -0.21 -3.89 2.87 0.46 0.00 -1.26 -4.61 105.19 98.55 1wey n GLY 7 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 6.43 1.98 -0.44 0.99 1.43 -0.26 -2.55 118.68 126.26 1wey s LEU 8 Ca 0.47 -0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1wey s LEU 8 Cb -0.33 -0.02 0.09 0.00 0.03 0.00 0.00 46.19 45.96 1wey s LEU 8 CO 0.73 0.00 0.30 -0.63 0.23 0.00 0.00 176.35 176.98 1wey s ILE 9 N 0.01 4.33 0.06 -0.59 -1.09 0.64 -0.29 121.20 124.27 1wey s ILE 9 Ca -0.00 -1.48 -0.10 0.00 -2.23 0.00 0.00 60.65 56.84 1wey s ILE 9 Cb -0.00 -3.70 -0.06 0.00 -1.58 0.00 0.00 42.46 37.12 1wey s ILE 9 CO -0.00 -0.59 0.39 0.00 -1.23 0.00 0.00 174.94 173.50 1wey s ALA 10 N 1.43 3.74 -0.28 9.38 0.00 0.32 0.10 121.76 136.45 1wey s ALA 10 Ca 0.04 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1wey s ALA 10 Cb -0.24 -2.26 0.07 0.00 0.00 0.00 0.00 23.12 20.69 1wey s ALA 10 CO 0.02 0.56 -0.04 0.00 0.00 0.00 0.00 175.76 176.30 1wey s VAL 12 N 1.10 5.19 -0.12 0.00 1.01 -1.26 -1.25 120.40 125.06 1wey s VAL 12 Ca -0.01 0.10 0.20 0.00 0.00 0.00 0.00 61.98 62.27 1wey s VAL 12 Cb -0.19 -3.62 -0.24 0.00 0.00 0.00 0.00 36.38 32.33 1wey s VAL 12 CO -0.07 0.14 0.49 0.00 0.00 0.00 0.00 175.10 175.66 1wey n ALA 13 N 0.40 2.24 -2.46 5.51 0.00 -1.26 -4.82 120.51 120.10 1wey n ALA 13 Ca -0.05 -0.73 -0.41 0.00 0.00 0.00 0.00 53.44 52.26 1wey n ALA 13 Cb 0.52 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 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 -5.13 6.09 0.36 0.00 0.01 -1.26 -4.84 114.94 110.17 1wey s ASN 14 Ca -0.07 -0.14 0.24 0.00 -0.71 0.00 0.00 52.86 52.18 1wey s ASN 14 Cb 0.10 -2.55 1.29 0.00 0.41 0.00 0.00 41.25 40.49 1wey s ASN 14 CO 0.86 -1.83 1.72 -0.78 -1.51 0.00 0.00 177.10 175.55 1wey h ASP 15 N 10.74 0.00 1.18 -1.22 3.58 -2.01 0.49 116.42 129.17 1wey h ASP 15 Ca -0.27 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.17 1wey h ASP 15 Cb 1.07 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 1wey h ASP 15 CO 1.24 0.00 -0.02 0.44 -2.88 0.00 0.00 179.24 178.02 1wey h ASP 16 N 0.00 0.00 0.50 2.28 3.32 -1.99 -2.81 116.42 117.72 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 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1wey h ASP 16 CO 0.00 0.02 -0.01 0.58 -1.72 0.00 0.00 179.24 178.11 1wey h VAL 17 N 0.00 0.03 -0.31 -1.35 2.07 -1.23 -1.85 116.25 113.60 1wey h VAL 17 Ca -0.00 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1wey h VAL 17 Cb 0.62 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1wey h VAL 17 CO 0.00 0.01 0.07 0.49 0.02 0.00 0.00 177.57 178.16 1wey n PHE 18 N -3.11 1.08 -4.25 1.57 3.01 -1.06 -3.94 117.46 110.76 1wey n PHE 18 Ca -0.01 -0.52 -0.27 0.00 1.01 0.00 0.00 57.45 57.66 1wey n PHE 18 Cb 0.19 -0.36 -0.08 0.00 -0.01 0.00 0.00 39.48 39.21 1wey n PHE 18 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1wey s SER 19 N -0.29 4.53 0.16 4.37 0.01 -0.70 -5.02 113.70 116.76 1wey s SER 19 Ca 0.26 -0.49 0.25 0.00 1.31 0.00 0.00 55.95 57.28 1wey s SER 19 Cb 0.20 -0.88 0.49 0.00 0.21 0.00 0.00 66.02 66.04 1wey s SER 19 CO 0.07 0.09 1.47 1.05 0.41 0.00 0.00 173.24 176.33 1wey h GLU 20 N 2.78 0.00 -0.18 12.44 -0.00 -1.89 -3.32 114.58 124.41 1wey h GLU 20 Ca -0.47 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 58.91 1wey h GLU 20 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.93 1wey h GLU 20 CO 0.56 0.00 -0.11 0.43 -0.00 0.00 0.00 179.01 179.90 1wey n SER 21 N -2.20 -0.19 0.00 3.06 7.64 -1.26 -4.79 113.62 115.87 1wey n SER 21 Ca 0.04 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1wey n SER 21 Cb 0.44 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -3.31 0.00 -0.33 1.43 2.13 -1.26 -4.98 120.64 114.32 1wey n GLU 22 Ca 0.00 0.00 0.25 0.00 0.66 0.00 0.00 57.16 58.07 1wey n GLU 22 Cb 0.05 0.00 0.47 0.00 0.27 0.00 0.00 31.44 32.23 1wey n GLU 22 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1wey h THR 23 N 0.00 0.10 -0.64 6.31 2.02 -1.84 0.67 112.91 119.54 1wey h THR 23 Ca 0.00 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.25 1wey h THR 23 Cb 0.00 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.33 1wey h THR 23 CO 0.00 0.02 0.25 -0.09 0.37 0.00 0.00 175.52 176.07 1wey h ARG 24 N 0.10 0.42 -0.87 6.66 2.43 -1.68 -1.15 114.38 120.28 1wey h ARG 24 Ca 0.74 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.97 1wey h ARG 24 Cb 1.80 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 31.19 1wey h ARG 24 CO -0.75 0.28 0.53 0.00 -1.51 0.00 0.00 179.97 178.52 1wey h ALA 25 N 1.43 1.23 -0.30 2.80 0.00 0.04 0.09 119.26 124.56 1wey h ALA 25 Ca 0.32 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.33 1wey h ALA 25 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1wey h ALA 25 CO -0.31 0.22 0.22 0.87 0.00 0.00 0.00 179.25 180.25 1wey h LYS 26 N 0.93 0.00 0.00 0.00 1.57 -1.08 0.20 116.57 118.18 1wey h LYS 26 Ca 0.40 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.93 1wey h LYS 26 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1wey h LYS 26 CO -0.21 0.00 -1.41 0.35 -0.57 0.00 0.00 179.45 177.61 1wey h PHE 27 N 0.00 0.00 0.18 -1.35 3.04 -0.89 -3.36 116.94 114.55 1wey h PHE 27 Ca 0.14 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1wey h PHE 27 Cb 0.58 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1wey h PHE 27 CO 0.00 0.95 -0.09 0.93 -2.02 0.00 0.00 178.31 178.08 1wey h GLU 28 N 0.00 -0.24 -0.88 1.11 5.08 0.24 -3.30 114.58 116.59 1wey h GLU 28 Ca -0.18 0.02 0.34 0.00 -1.00 0.00 0.00 59.36 58.53 1wey h GLU 28 Cb 1.88 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 31.06 1wey h GLU 28 CO 0.09 -0.16 0.53 -1.13 -1.00 0.00 0.00 179.01 177.34 1wey n SER 29 N -4.60 0.21 0.12 1.42 3.41 0.53 0.08 113.62 114.80 1wey n SER 29 Ca -0.03 1.15 -0.12 0.00 -0.26 0.00 0.00 58.87 59.61 1wey n SER 29 Cb 0.10 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.42 1wey n SER 29 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1wey h LEU 30 N 0.00 -1.05 0.03 1.04 3.38 -1.71 0.35 115.31 117.35 1wey h LEU 30 Ca 0.65 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.72 1wey h LEU 30 Cb 1.89 0.38 0.00 0.00 0.09 0.00 0.00 40.66 43.02 1wey h LEU 30 CO -0.47 -0.41 -0.01 -0.26 0.09 0.00 0.00 178.44 177.38 1wey h PHE 31 N -0.57 -0.04 -0.78 1.13 -1.00 -0.50 -3.23 116.94 111.97 1wey h PHE 31 Ca -0.02 -0.00 0.18 0.00 2.81 0.00 0.00 57.97 60.95 1wey h PHE 31 Cb 0.54 0.01 -0.13 0.00 3.61 0.00 0.00 35.95 39.99 1wey h PHE 31 CO -0.34 0.44 0.13 -0.09 -1.61 0.00 0.00 178.31 176.84 1wey h ARG 32 N -0.52 0.19 -1.43 1.51 1.12 -0.95 0.20 114.38 114.49 1wey h ARG 32 Ca -0.00 -0.01 0.46 0.00 -1.11 0.00 0.00 59.98 59.32 1wey h ARG 32 Cb 0.49 -0.04 -0.12 0.00 -0.01 0.00 0.00 29.97 30.28 1wey h ARG 32 CO 0.01 0.13 0.95 1.15 -3.11 0.00 0.00 179.97 179.09 1wey h THR 33 N 0.19 0.08 0.00 0.20 2.02 -0.30 -2.39 112.91 112.71 1wey h THR 33 Ca 0.45 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.61 1wey h THR 33 Cb 0.82 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1wey h THR 33 CO -0.60 0.01 0.00 -1.22 0.37 0.00 0.00 175.52 174.08 1wey n TYR 34 N -4.58 0.00 -4.19 3.16 4.01 0.69 -4.92 117.16 111.33 1wey n TYR 34 Ca 0.39 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.81 1wey n TYR 34 Cb 1.55 -0.37 -0.08 0.00 -0.31 0.00 0.00 39.34 40.13 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 5.21 0.11 7.72 2.15 -0.90 -5.01 116.67 123.53 1wey s ASP 35 Ca 0.00 -0.04 0.23 0.00 0.43 0.00 0.00 52.55 53.17 1wey s ASP 35 Cb 0.00 -1.35 -0.06 0.00 -0.30 0.00 0.00 42.92 41.21 1wey s ASP 35 CO 0.00 0.24 0.92 0.29 -0.17 0.00 0.00 175.17 176.44 1wey n LYS 36 N 1.01 0.53 -1.07 4.34 4.76 -1.26 -4.03 118.16 122.44 1wey n LYS 36 Ca -0.12 0.02 -0.19 0.00 -2.87 0.00 0.00 58.31 55.14 1wey n LYS 36 Cb 0.52 -1.70 0.17 0.00 -1.84 0.00 0.00 35.03 32.19 1wey n LYS 36 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wey n ASP 37 N -2.39 3.78 -4.71 4.39 8.00 -1.26 -4.94 116.55 119.41 1wey n ASP 37 Ca -0.00 -3.38 -0.39 0.00 0.71 0.00 0.00 54.79 51.73 1wey n ASP 37 Cb 0.52 -0.79 -0.05 0.00 -0.02 0.00 0.00 41.12 40.78 1wey n ASP 37 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wey s THR 38 N -2.90 5.12 -0.14 -3.53 -4.23 -1.26 -4.51 115.64 104.20 1wey s THR 38 Ca 0.50 1.15 -0.06 0.00 -1.18 0.00 0.00 61.69 62.10 1wey s THR 38 Cb 0.42 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 1wey s THR 38 CO 0.10 0.28 0.07 0.42 -0.54 0.00 0.00 174.62 174.95 1wey s THR 39 N 0.82 4.88 -0.07 3.99 -4.23 0.34 -4.93 115.64 116.44 1wey s THR 39 Ca 0.30 -0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 1wey s THR 39 Cb -0.16 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1wey s THR 39 CO 0.13 0.54 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.29 1wey s PHE 40 N -0.33 2.84 -0.27 3.99 0.40 -1.26 -0.01 117.98 123.35 1wey s PHE 40 Ca 0.09 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 1wey s PHE 40 Cb -0.12 -1.71 0.08 0.00 0.51 0.00 0.00 43.02 41.78 1wey s PHE 40 CO 0.02 0.19 0.03 -0.65 0.70 0.00 0.00 175.22 175.50 1wey s GLN 41 N -0.57 1.13 -0.33 0.44 -0.21 0.79 -4.97 119.66 115.95 1wey s GLN 41 Ca 0.08 -1.05 -0.21 0.00 0.02 0.00 0.00 55.36 54.21 1wey s GLN 41 Cb -0.12 -2.39 -0.00 0.00 1.00 0.00 0.00 33.01 31.50 1wey s GLN 41 CO 0.02 -0.79 0.64 0.71 -2.12 0.00 0.00 175.29 173.75 1wey s TYR 42 N 1.48 3.19 -0.56 0.91 2.02 -1.26 -1.05 117.35 122.08 1wey s TYR 42 Ca 0.03 0.51 -0.17 0.00 -0.37 0.00 0.00 57.07 57.07 1wey s TYR 42 Cb -0.18 -3.07 0.13 0.00 -0.40 0.00 0.00 41.96 38.44 1wey s TYR 42 CO -0.13 -0.54 0.55 -0.06 -1.57 0.00 0.00 175.55 173.80 1wey s PHE 43 N 2.68 3.20 -1.69 2.71 0.08 0.09 -4.89 117.98 120.16 1wey s PHE 43 Ca 0.25 -1.23 0.18 0.00 0.12 0.00 0.00 56.93 56.25 1wey s PHE 43 Cb -0.15 -3.85 1.00 0.00 -0.57 0.00 0.00 43.02 39.45 1wey s PHE 43 CO 0.13 -1.08 1.52 1.63 -0.10 0.00 0.00 175.22 177.32 1wey n LYS 44 N 5.46 0.40 -0.08 0.44 4.76 -1.26 -0.05 118.16 127.83 1wey n LYS 44 Ca -0.13 0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.28 1wey n LYS 44 Cb 0.41 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.94 1wey n LYS 44 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1wey n SER 45 N -1.16 0.22 -0.06 4.39 7.64 -1.26 -4.41 113.62 118.99 1wey n SER 45 Ca 0.11 0.10 0.07 0.00 1.01 0.00 0.00 58.87 60.16 1wey n SER 45 Cb 0.11 0.74 0.09 0.00 -1.01 0.00 0.00 64.21 64.14 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 -2.82 0.00 -2.49 1.43 3.01 -1.01 -4.97 117.46 110.61 1wey n PHE 46 Ca -0.29 -0.83 -0.01 0.00 1.01 0.00 0.00 57.45 57.33 1wey n PHE 46 Cb 1.13 -0.12 -0.00 0.00 -0.01 0.00 0.00 39.48 40.48 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 -1.12 -2.84 -4.03 -1.08 4.76 0.93 -4.86 118.16 109.91 1wey n LYS 47 Ca 0.11 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.33 1wey n LYS 47 Cb 0.52 -4.32 -0.06 0.00 -1.84 0.00 0.00 35.03 29.34 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 -4.87 2.46 -0.05 1.97 0.52 -1.10 -4.43 118.95 113.46 1wey s ARG 48 Ca 0.03 -1.48 -0.02 0.00 -0.52 0.00 0.00 55.73 53.74 1wey s ARG 48 Cb -0.02 -2.25 0.03 0.00 0.52 0.00 0.00 34.95 33.23 1wey s ARG 48 CO 0.04 0.11 0.04 0.08 0.02 0.00 0.00 175.30 175.59 1wey s VAL 49 N -2.39 0.05 -0.26 3.52 1.01 -0.78 -0.73 120.40 120.81 1wey s VAL 49 Ca 0.38 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 1wey s VAL 49 Cb -0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1wey s VAL 49 CO 0.24 0.20 0.14 -0.60 0.00 0.00 0.00 175.10 175.08 1wey s ARG 50 N 2.03 3.85 -0.36 2.72 6.06 -0.21 -0.52 118.95 132.51 1wey s ARG 50 Ca 0.04 -0.38 -0.04 0.00 -2.50 0.00 0.00 55.73 52.85 1wey s ARG 50 Cb -0.12 -3.52 0.07 0.00 0.06 0.00 0.00 34.95 31.44 1wey s ARG 50 CO -0.04 -0.16 0.13 0.42 -2.50 0.00 0.00 175.30 173.15 1wey s ILE 51 N 1.64 3.43 -0.16 4.11 1.09 0.60 -0.15 121.20 131.76 1wey s ILE 51 Ca 0.07 -1.55 -0.19 0.00 -1.10 0.00 0.00 60.65 57.87 1wey s ILE 51 Cb -0.15 -3.11 -0.03 0.00 -1.06 0.00 0.00 42.46 38.10 1wey s ILE 51 CO 0.08 -0.37 0.55 0.20 -0.10 0.00 0.00 174.94 175.30 1wey s ASN 52 N 1.60 6.67 0.51 3.58 0.01 0.99 -1.10 114.94 127.19 1wey s ASN 52 Ca 0.01 0.80 0.07 0.00 -0.71 0.00 0.00 52.86 53.03 1wey s ASN 52 Cb -0.21 -2.32 0.07 0.00 0.41 0.00 0.00 41.25 39.20 1wey s ASN 52 CO -0.01 -0.15 0.59 0.49 -1.51 0.00 0.00 177.10 176.51 1wey n PHE 53 N 4.46 -1.76 0.49 2.20 3.01 -1.26 -0.50 117.46 124.10 1wey n PHE 53 Ca -0.04 -1.96 0.12 0.00 1.01 0.00 0.00 57.45 56.58 1wey n PHE 53 Cb 0.51 -0.46 0.18 0.00 -0.01 0.00 0.00 39.48 39.70 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 -2.20 3.31 -3.61 4.37 2.88 -1.26 -4.80 113.62 112.30 1wey n SER 54 Ca 0.09 -1.98 -0.05 0.00 -1.33 0.00 0.00 58.87 55.59 1wey n SER 54 Cb 0.54 -0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.61 -0.17 0.35 -3.46 6.03 -1.26 -5.02 114.94 109.81 1wey s ASN 55 Ca 0.35 0.17 0.27 0.00 -1.03 0.00 0.00 52.86 52.62 1wey s ASN 55 Cb 0.22 0.14 1.12 0.00 -3.03 0.00 0.00 41.25 39.70 1wey s ASN 55 CO 0.31 -0.17 1.80 1.55 -2.03 0.00 0.00 177.10 178.56 1wey h PRO 56 N 2.23 0.00 0.77 3.55 0.13 -1.90 -3.21 132.00 133.56 1wey h PRO 56 Ca -0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 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 0.25 0.00 -0.37 -0.07 -0.23 0.00 0.00 178.00 177.58 1wey h LEU 57 N 0.00 -0.87 0.10 1.56 3.38 -1.95 -3.02 115.31 114.50 1wey h LEU 57 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wey h LEU 57 Cb 0.40 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1wey h LEU 57 CO 0.00 -0.53 -0.10 -1.28 0.09 0.00 0.00 178.44 176.62 1wey h SER 58 N -1.21 -0.27 -1.66 -0.43 0.87 -1.99 -1.99 113.55 106.87 1wey h SER 58 Ca -0.11 0.03 0.50 0.00 -1.23 0.00 0.00 61.79 60.98 1wey h SER 58 Cb 0.81 0.10 -0.09 0.00 -0.44 0.00 0.00 62.40 62.77 1wey h SER 58 CO 0.17 -0.16 1.16 0.00 -0.53 0.00 0.00 176.83 177.47 1wey h ALA 59 N 0.66 3.40 0.24 6.23 0.00 -1.61 -0.29 119.26 127.88 1wey h ALA 59 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wey h ALA 59 Cb 0.22 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wey h ALA 59 CO -0.03 -1.96 -0.11 0.00 0.00 0.00 0.00 179.25 177.14 1wey h ALA 60 N 1.26 -0.50 -1.31 0.00 0.00 -1.22 -2.93 119.26 114.56 1wey h ALA 60 Ca 0.86 -0.07 0.38 0.00 0.00 0.00 0.00 54.91 56.08 1wey h ALA 60 Cb 3.20 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 21.05 1wey h ALA 60 CO -0.16 -0.48 0.93 0.22 0.00 0.00 0.00 179.25 179.76 1wey h ASP 61 N -0.64 0.05 -0.00 0.00 3.58 -1.03 0.19 116.42 118.57 1wey h ASP 61 Ca -0.03 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1wey h ASP 61 Cb 0.24 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1wey h ASP 61 CO 0.05 -0.00 -0.00 0.00 -2.88 0.00 0.00 179.24 176.41 1wey h ALA 62 N 1.37 0.01 -0.33 -0.78 0.00 -1.25 -2.07 119.26 116.21 1wey h ALA 62 Ca 0.64 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.46 1wey h ALA 62 Cb 2.46 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 20.18 1wey h ALA 62 CO -0.05 -0.33 -0.17 -0.09 0.00 0.00 0.00 179.25 178.61 1wey h ARG 63 N -0.32 -0.12 -0.70 0.00 2.43 -0.43 1.05 114.38 116.30 1wey h ARG 63 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1wey h ARG 63 Cb 0.33 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1wey h ARG 63 CO 0.00 -0.08 0.44 1.37 -1.51 0.00 0.00 179.97 180.19 1wey h LEU 64 N -0.12 0.82 -0.29 3.80 8.10 -1.51 -1.56 115.31 124.54 1wey h LEU 64 Ca 0.17 -0.03 -0.08 0.00 0.11 0.00 0.00 57.88 58.05 1wey h LEU 64 Cb 0.38 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 1wey h LEU 64 CO -0.41 0.61 -0.38 0.03 -4.11 0.00 0.00 178.44 174.18 1wey h ARG 65 N 0.95 0.00 0.00 0.17 3.08 -0.36 -3.46 114.38 114.76 1wey h ARG 65 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1wey h ARG 65 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1wey h ARG 65 CO -0.05 0.38 0.00 1.28 -1.07 0.00 0.00 179.97 180.51 1wey n LEU 66 N -3.26 0.00 0.00 3.04 4.77 0.35 -4.91 117.00 116.98 1wey n LEU 66 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1wey n LEU 66 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1wey n LEU 66 CO 0.38 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 178.01 1wey n HIS 67 N 0.00 0.00 -0.56 -1.77 -0.00 -1.24 -3.87 115.22 107.78 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 0.65 0.00 -0.12 0.00 0.00 29.99 30.52 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 2.63 -0.00 -1.01 1.57 5.02 -0.32 -3.53 118.16 122.51 1wey n LYS 68 Ca 0.00 0.87 -0.40 0.00 -2.02 0.00 0.00 58.31 56.77 1wey n LYS 68 Cb 0.00 -2.00 -0.05 0.00 -0.02 0.00 0.00 35.03 32.95 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 -3.58 0.00 -1.81 -0.18 -2.24 -1.25 -3.83 114.28 101.39 1wey n THR 69 Ca 0.36 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.88 1wey n THR 69 Cb 1.60 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.76 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 0.14 2.18 -0.53 -0.78 2.02 -1.26 -3.43 118.70 117.05 1wey s GLU 70 Ca 0.62 0.39 -0.28 0.00 0.02 0.00 0.00 54.97 55.71 1wey s GLU 70 Cb -0.86 -4.78 0.03 0.00 0.10 0.00 0.00 34.13 28.62 1wey s GLU 70 CO 0.39 -3.60 1.13 0.12 0.02 0.00 0.00 175.26 173.32 1wey s PHE 71 N 11.79 2.72 -1.97 1.61 5.36 0.54 -3.62 117.98 134.42 1wey s PHE 71 Ca 0.81 0.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 1wey s PHE 71 Cb -0.11 -4.41 0.00 0.00 -0.34 0.00 0.00 43.02 38.16 1wey s PHE 71 CO 0.10 -1.41 0.00 1.28 -1.46 0.00 0.00 175.22 173.73 1wey n LEU 72 N 8.04 -1.71 0.00 6.12 4.77 -1.26 -1.28 117.00 131.68 1wey n LEU 72 Ca 0.09 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1wey n LEU 72 Cb 0.49 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.72 1wey n LEU 72 CO 0.70 -0.65 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1wey n GLY 73 N -0.74 2.85 3.89 -0.72 0.00 -1.24 -5.06 105.19 104.18 1wey n GLY 73 Ca -0.22 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 -0.38 3.43 -0.15 1.61 -0.14 -0.40 -4.94 119.74 118.76 1wey s LYS 74 Ca 0.00 -0.22 -0.26 0.00 -1.36 0.00 0.00 55.97 54.13 1wey s LYS 74 Cb 0.00 -3.14 -0.02 0.00 -1.68 0.00 0.00 37.83 32.99 1wey s LYS 74 CO 0.00 0.73 0.85 -2.00 -0.76 0.00 0.00 175.35 174.17 1wey s GLU 75 N -1.43 4.32 0.24 1.68 2.12 -1.26 0.20 118.70 124.57 1wey s GLU 75 Ca 0.20 1.06 0.07 0.00 0.36 0.00 0.00 54.97 56.66 1wey s GLU 75 Cb -0.12 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1wey s GLU 75 CO 0.10 -0.30 0.22 1.41 -0.54 0.00 0.00 175.26 176.15 1wey s MET 76 N 2.05 3.01 0.37 4.30 -2.45 -1.22 -4.59 119.30 120.76 1wey s MET 76 Ca 0.40 -0.99 0.08 0.00 -1.25 0.00 0.00 55.69 53.93 1wey s MET 76 Cb -0.17 -2.62 -0.06 0.00 1.25 0.00 0.00 34.83 33.23 1wey s MET 76 CO 0.13 0.41 0.07 0.15 1.05 0.00 0.00 175.02 176.84 1wey s LYS 77 N -3.79 2.13 -0.16 4.11 1.02 -0.38 -1.18 119.74 121.49 1wey s LYS 77 Ca 0.33 -1.80 -0.13 0.00 0.02 0.00 0.00 55.97 54.39 1wey s LYS 77 Cb -0.08 -1.93 0.05 0.00 -0.52 0.00 0.00 37.83 35.34 1wey s LYS 77 CO 0.25 0.04 0.42 -0.51 -0.92 0.00 0.00 175.35 174.64 1wey s LEU 78 N -3.78 0.27 -0.01 3.17 1.43 -1.26 -0.84 118.68 117.65 1wey s LEU 78 Ca 0.37 0.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.37 1wey s LEU 78 Cb 0.02 1.43 -0.01 0.00 0.03 0.00 0.00 46.19 47.66 1wey s LEU 78 CO 0.20 -0.16 -0.13 -0.31 0.23 0.00 0.00 176.35 176.18 1wey s TYR 79 N 0.51 1.19 -0.95 0.29 1.51 0.12 -4.98 117.35 115.04 1wey s TYR 79 Ca -0.02 -0.24 -0.24 0.00 -1.01 0.00 0.00 57.07 55.55 1wey s TYR 79 Cb -0.04 -0.78 -0.06 0.00 -0.11 0.00 0.00 41.96 40.96 1wey s TYR 79 CO -0.03 -0.04 1.98 -0.06 -1.11 0.00 0.00 175.55 176.30 1wey s PHE 80 N -0.24 1.77 0.58 2.71 0.08 -1.26 -0.26 117.98 121.37 1wey s PHE 80 Ca 0.04 0.73 -0.18 0.00 0.12 0.00 0.00 56.93 57.64 1wey s PHE 80 Cb -0.06 -3.98 -0.12 0.00 -0.57 0.00 0.00 43.02 38.29 1wey s PHE 80 CO -0.00 -1.61 0.03 0.00 -0.10 0.00 0.00 175.22 173.54 1wey n ALA 81 N 14.52 -2.67 -3.64 5.36 0.00 -1.06 -4.91 120.51 128.11 1wey n ALA 81 Ca 0.42 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 1wey n ALA 81 Cb 0.47 -1.53 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1wey n ALA 81 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wey s GLN 82 N -1.51 1.93 0.85 0.00 -2.07 -1.26 -4.70 119.66 112.89 1wey s GLN 82 Ca 0.59 -1.27 -0.12 0.00 -1.82 0.00 0.00 55.36 52.75 1wey s GLN 82 Cb -0.44 0.58 0.10 0.00 -1.09 0.00 0.00 33.01 32.16 1wey s GLN 82 CO 0.64 -0.87 1.16 0.95 -1.32 0.00 0.00 175.29 175.84 1wey s THR 83 N -3.27 2.09 0.38 3.63 -4.23 -1.26 -4.96 115.64 108.01 1wey s THR 83 Ca 0.16 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.47 1wey s THR 83 Cb -0.04 -2.91 -0.14 0.00 1.34 0.00 0.00 72.50 70.74 1wey s THR 83 CO 0.10 -0.04 0.37 0.18 -0.54 0.00 0.00 174.62 174.70 1wey n LEU 84 N -3.50 -1.26 -2.66 4.79 4.32 -1.26 -4.93 117.00 112.51 1wey n LEU 84 Ca 0.07 0.90 -0.01 0.00 -0.02 0.00 0.00 56.01 56.96 1wey n LEU 84 Cb 0.60 -1.01 0.08 0.00 -1.62 0.00 0.00 43.42 41.47 1wey n LEU 84 CO 0.57 -3.38 0.27 1.57 -1.22 0.00 0.00 177.39 175.20 1wey n HIS 85 N -0.79 -0.20 0.78 -1.77 -0.00 -1.26 -4.89 115.22 107.08 1wey n HIS 85 Ca 0.12 -1.85 0.12 0.00 0.46 0.00 0.00 57.72 56.58 1wey n HIS 85 Cb 0.38 0.54 0.29 0.00 -0.12 0.00 0.00 29.99 31.07 1wey n HIS 85 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 1wey n ILE 86 N -0.93 0.22 0.00 3.57 3.06 -1.26 -4.96 119.36 119.05 1wey n ILE 86 Ca -0.04 -0.15 0.00 0.00 -2.50 0.00 0.00 62.75 60.06 1wey n ILE 86 Cb 0.84 -0.12 0.00 0.00 0.54 0.00 0.00 39.64 40.91 1wey n ILE 86 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1wey n GLY 87 N 1.41 2.06 3.64 4.50 0.00 -1.26 -4.93 105.19 110.61 1wey n GLY 87 Ca 0.05 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 1wey n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wey s SER 88 N 0.00 4.67 -0.13 1.61 0.01 -1.26 -5.07 113.70 113.54 1wey s SER 88 Ca 0.00 -0.41 -0.06 0.00 1.31 0.00 0.00 55.95 56.79 1wey s SER 88 Cb 0.00 -0.96 -0.02 0.00 0.21 0.00 0.00 66.02 65.24 1wey s SER 88 CO 0.00 0.10 -0.12 0.77 0.41 0.00 0.00 173.24 174.40 1wey h SER 89 N 2.86 0.00 -4.88 2.44 4.64 -2.05 -3.51 113.55 113.05 1wey h SER 89 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1wey h SER 89 Cb 1.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 1wey h SER 89 CO 0.57 0.67 -1.26 1.41 -0.87 0.00 0.00 176.83 177.36 1wey n HIS 90 N -4.65 -4.53 -3.11 4.77 -0.00 -1.26 -4.90 115.22 101.54 1wey n HIS 90 Ca -0.05 2.67 -0.43 0.00 -0.00 0.00 0.00 57.72 59.91 1wey n HIS 90 Cb 0.18 -3.79 -0.07 0.00 -0.00 0.00 0.00 29.99 26.31 1wey n HIS 90 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1wey s LEU 91 N -0.61 4.55 0.35 2.41 0.20 -1.26 -5.04 118.68 119.28 1wey s LEU 91 Ca -0.14 -0.42 -0.27 0.00 0.69 0.00 0.00 54.13 53.99 1wey s LEU 91 Cb 0.01 -2.69 -0.09 0.00 -0.43 0.00 0.00 46.19 42.99 1wey s LEU 91 CO 0.38 -0.81 1.14 0.00 -0.29 0.00 0.00 176.35 176.77 1wey s ALA 92 N 2.84 3.27 0.61 5.97 0.00 -1.26 -5.01 121.76 128.17 1wey s ALA 92 Ca 0.22 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 1wey s ALA 92 Cb -0.15 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1wey s ALA 92 CO 0.18 -0.37 1.12 -1.25 0.00 0.00 0.00 175.76 175.44 1wey s PRO 93 N -1.97 3.04 0.72 0.00 0.04 -1.26 -5.02 135.00 130.55 1wey s PRO 93 Ca 0.52 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 1wey s PRO 93 Cb -0.31 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1wey s PRO 93 CO 0.40 -1.08 1.10 -1.25 0.04 0.00 0.00 177.00 176.21 1wey s PRO 94 N -3.74 2.51 -0.49 0.56 0.04 -1.26 -5.04 135.00 127.58 1wey s PRO 94 Ca 0.70 1.28 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1wey s PRO 94 Cb -0.22 -1.92 0.19 0.00 0.04 0.00 0.00 34.50 32.59 1wey s PRO 94 CO 0.35 -1.46 0.77 1.21 0.04 0.00 0.00 177.00 177.91 1wey s ASN 95 N -3.00 -1.31 0.34 6.66 3.84 -1.26 -5.15 114.94 115.06 1wey s ASN 95 Ca 0.64 -1.48 -0.28 0.00 0.21 0.00 0.00 52.86 51.95 1wey s ASN 95 Cb -0.19 1.71 -0.09 0.00 -0.55 0.00 0.00 41.25 42.13 1wey s ASN 95 CO 0.49 -0.05 1.21 -2.16 -2.79 0.00 0.00 177.10 173.80 1wey s PRO 96 N 0.97 4.33 -0.12 0.43 0.04 -1.26 -5.02 135.00 134.36 1wey s PRO 96 Ca 0.28 2.00 -0.14 0.00 0.04 0.00 0.00 61.00 63.18 1wey s PRO 96 Cb 0.01 -2.97 -0.05 0.00 0.04 0.00 0.00 34.50 31.53 1wey s PRO 96 CO -0.06 -0.13 0.32 0.34 0.04 0.00 0.00 177.00 177.51 1wey s ASP 97 N -0.78 6.53 0.51 6.66 -1.08 -1.26 -5.09 116.67 122.16 1wey s ASP 97 Ca 0.50 0.63 0.02 0.00 -0.52 0.00 0.00 52.55 53.18 1wey s ASP 97 Cb -0.35 -2.20 0.08 0.00 -1.46 0.00 0.00 42.92 38.99 1wey s ASP 97 CO 0.46 0.16 0.55 1.17 0.52 0.00 0.00 175.17 178.02 1wey n LYS 98 N 3.12 0.37 -2.21 4.34 4.81 -1.26 -4.95 118.16 122.38 1wey n LYS 98 Ca -0.12 -1.65 0.00 0.00 -0.87 0.00 0.00 58.31 55.66 1wey n LYS 98 Cb 0.52 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 35.26 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 -2.84 -8.73 0.00 3.14 7.64 -1.26 -5.05 113.62 106.51 1wey n SER 99 Ca 0.10 1.62 0.00 0.00 1.01 0.00 0.00 58.87 61.59 1wey n SER 99 Cb 0.34 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.58 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 1.91 -1.47 3.58 0.23 0.00 -1.26 -5.15 105.19 103.03 1wey n GLY 100 Ca 0.00 0.37 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.80 -1.47 0.00 1.61 0.04 -1.26 -5.09 135.00 128.03 1wey s PRO 101 Ca 0.00 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1wey s PRO 101 Cb 0.00 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.97 1wey s PRO 101 CO 0.00 -3.86 0.00 -1.13 0.04 0.00 0.00 177.00 172.05 1wey n SER 102 N -4.85 0.00 -4.60 6.66 3.41 -1.26 -5.17 113.62 107.82 1wey n SER 102 Ca 0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.46 1wey n SER 102 Cb 0.60 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.75 1wey n SER 102 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wey s SER 103 N 0.00 2.16 0.00 4.04 0.15 -1.26 -5.34 113.70 113.45 1wey s SER 103 Ca 0.00 1.72 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1wey s SER 103 Cb 0.00 -2.36 0.01 0.00 -1.71 0.00 0.00 66.02 61.96 1wey s SER 103 CO 0.00 -3.50 0.51 0.61 1.20 0.00 0.00 173.24 172.06