#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wft s SER 2 N 0.00 4.20 -0.42 1.61 0.01 -1.26 -5.06 113.70 112.77 1wft s SER 2 Ca 0.00 -2.35 -0.03 0.00 1.31 0.00 0.00 55.95 54.88 1wft s SER 2 Cb 0.00 -1.29 0.11 0.00 0.21 0.00 0.00 66.02 65.05 1wft s SER 2 CO 0.00 -0.33 0.22 -0.44 0.41 0.00 0.00 173.24 173.10 1wft s SER 3 N 0.66 5.25 0.00 2.44 0.01 -1.26 -5.01 113.70 115.80 1wft s SER 3 Ca 0.14 -2.10 0.00 0.00 1.31 0.00 0.00 55.95 55.30 1wft s SER 3 Cb -0.22 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1wft s SER 3 CO -0.08 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.65 1wft n GLY 4 N 4.50 4.27 2.86 3.44 0.00 -1.26 -5.04 105.19 113.96 1wft n GLY 4 Ca -0.01 -1.38 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 1wft n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wft n SER 5 N 0.00 -4.07 0.00 1.61 2.88 -1.26 -4.93 113.62 107.85 1wft n SER 5 Ca 0.00 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1wft n SER 5 Cb 0.00 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.81 1wft n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wft n SER 6 N -1.89 0.41 -4.86 -3.46 7.64 -1.26 -5.08 113.62 105.12 1wft n SER 6 Ca -0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.51 1wft n SER 6 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1wft n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wft s GLY 7 N -4.87 1.75 0.48 0.23 0.00 -1.26 -5.03 107.32 98.62 1wft s GLY 7 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 44.72 44.48 1wft s GLY 7 CO 0.00 0.25 1.16 2.56 0.00 0.00 0.00 173.10 177.07 1wft s PRO 8 N -4.94 3.67 1.29 2.90 0.04 -1.26 -4.90 135.00 131.80 1wft s PRO 8 Ca 0.56 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 1wft s PRO 8 Cb -0.11 -2.32 0.32 0.00 0.04 0.00 0.00 34.50 32.44 1wft s PRO 8 CO 0.49 -0.62 0.99 0.20 0.04 0.00 0.00 177.00 178.10 1wft s GLY 9 N -1.45 1.48 0.08 0.56 0.00 -1.26 -4.04 107.32 102.68 1wft s GLY 9 Ca 0.66 -0.55 -0.04 0.00 0.00 0.00 0.00 44.72 44.78 1wft s GLY 9 CO 0.33 0.32 0.30 0.00 0.00 0.00 0.00 173.10 174.05 1wft s ALA 10 N -2.44 3.86 -0.29 3.20 0.00 -1.26 -4.68 121.76 120.15 1wft s ALA 10 Ca 0.69 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 1wft s ALA 10 Cb -0.18 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 1wft s ALA 10 CO 0.60 0.70 1.66 -1.25 0.00 0.00 0.00 175.76 177.48 1wft s PRO 11 N -2.31 3.58 0.21 0.00 0.04 -1.26 -4.59 135.00 130.67 1wft s PRO 11 Ca 0.35 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 1wft s PRO 11 Cb -0.13 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.27 1wft s PRO 11 CO 0.22 -1.56 0.43 -1.12 0.04 0.00 0.00 177.00 175.02 1wft s SER 12 N 4.94 6.43 -0.33 6.66 0.01 -1.23 -4.44 113.70 125.73 1wft s SER 12 Ca 0.73 0.53 -0.02 0.00 1.31 0.00 0.00 55.95 58.50 1wft s SER 12 Cb -0.22 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1wft s SER 12 CO 0.32 -0.06 0.29 0.41 0.41 0.00 0.00 173.24 174.61 1wft n THR 13 N -0.55 -0.84 -2.17 1.44 -1.04 -1.26 -3.74 114.28 106.11 1wft n THR 13 Ca -0.03 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 1wft n THR 13 Cb 0.53 -2.24 -0.02 0.00 -1.82 0.00 0.00 70.33 66.78 1wft n THR 13 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1wft s VAL 14 N -3.08 3.71 -0.03 12.58 1.01 -1.26 -4.48 120.40 128.85 1wft s VAL 14 Ca 0.13 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 1wft s VAL 14 Cb -0.06 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1wft s VAL 14 CO 0.18 -0.51 0.13 -0.13 0.00 0.00 0.00 175.10 174.78 1wft s ARG 15 N 5.09 3.30 -0.10 2.72 1.81 0.19 -4.98 118.95 126.97 1wft s ARG 15 Ca 0.70 -0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.37 1wft s ARG 15 Cb -0.20 -3.02 0.02 0.00 -0.45 0.00 0.00 34.95 31.30 1wft s ARG 15 CO 0.32 0.69 -0.09 0.42 -0.68 0.00 0.00 175.30 175.95 1wft s ILE 16 N -1.20 1.10 -0.05 1.52 1.01 -1.26 -0.89 121.20 121.43 1wft s ILE 16 Ca 0.23 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.56 1wft s ILE 16 Cb -0.12 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1wft s ILE 16 CO 0.14 0.37 -0.21 -0.44 0.00 0.00 0.00 174.94 174.80 1wft s SER 17 N 1.42 2.64 -0.09 3.58 0.01 -0.52 -4.99 113.70 115.76 1wft s SER 17 Ca -0.00 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.53 1wft s SER 17 Cb -0.13 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.33 1wft s SER 17 CO -0.05 0.20 1.33 -0.75 0.41 0.00 0.00 173.24 174.38 1wft s LYS 18 N -0.06 4.26 0.24 12.44 2.47 -1.26 0.43 119.74 138.26 1wft s LYS 18 Ca -0.04 1.81 0.07 0.00 -1.56 0.00 0.00 55.97 56.25 1wft s LYS 18 Cb -0.13 -3.71 -0.04 0.00 -1.46 0.00 0.00 37.83 32.50 1wft s LYS 18 CO 0.03 -0.64 0.16 1.21 0.16 0.00 0.00 175.35 176.27 1wft s ASN 19 N 2.04 5.37 0.23 1.43 2.47 0.51 -4.85 114.94 122.14 1wft s ASN 19 Ca 0.60 -0.30 -0.07 0.00 0.42 0.00 0.00 52.86 53.50 1wft s ASN 19 Cb -0.26 -1.32 0.25 0.00 -1.45 0.00 0.00 41.25 38.47 1wft s ASN 19 CO 0.21 -0.02 1.88 1.62 -3.72 0.00 0.00 177.10 177.07 1wft h VAL 20 N 1.62 1.14 0.00 -5.21 3.04 -1.99 -1.71 116.25 113.15 1wft h VAL 20 Ca -0.48 -0.36 -0.11 0.00 -1.01 0.00 0.00 66.70 64.74 1wft h VAL 20 Cb 1.24 -0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.49 1wft h VAL 20 CO 0.61 0.19 -0.53 0.44 -1.01 0.00 0.00 177.57 177.27 1wft h ASP 21 N 1.06 0.00 0.00 3.17 3.32 -1.95 -3.49 116.42 118.53 1wft h ASP 21 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1wft h ASP 21 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wft h ASP 21 CO -0.11 0.53 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 1wft n GLY 22 N 0.22 -0.60 3.31 2.75 0.00 -0.64 -4.49 105.19 105.74 1wft n GLY 22 Ca -0.01 0.47 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 1wft n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wft s ILE 23 N 0.00 2.20 -0.50 -0.61 1.01 -0.86 -0.36 121.20 122.09 1wft s ILE 23 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 1wft s ILE 23 Cb 0.00 -1.79 0.13 0.00 0.01 0.00 0.00 42.46 40.80 1wft s ILE 23 CO 0.00 0.58 0.39 -2.28 0.00 0.00 0.00 174.94 173.62 1wft s HIS 24 N -0.40 3.41 -0.15 3.97 5.65 0.17 -1.44 115.29 126.50 1wft s HIS 24 Ca 0.04 -1.80 -0.23 0.00 0.25 0.00 0.00 55.06 53.32 1wft s HIS 24 Cb -0.12 -3.56 -0.03 0.00 -1.18 0.00 0.00 32.58 27.70 1wft s HIS 24 CO 0.01 -1.00 0.70 -1.17 -0.65 0.00 0.00 174.74 172.64 1wft s LEU 25 N 1.34 4.20 0.03 8.88 2.96 0.11 -1.43 118.68 134.77 1wft s LEU 25 Ca 0.06 1.02 0.04 0.00 -0.22 0.00 0.00 54.13 55.03 1wft s LEU 25 Cb -0.26 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 1wft s LEU 25 CO -0.00 -0.26 -0.12 -0.94 -1.32 0.00 0.00 176.35 173.71 1wft s SER 26 N 1.07 1.38 0.23 3.68 1.04 -0.07 -0.27 113.70 120.76 1wft s SER 26 Ca 0.34 -0.42 -0.17 0.00 0.48 0.00 0.00 55.95 56.17 1wft s SER 26 Cb -0.16 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 65.90 1wft s SER 26 CO 0.13 -0.00 0.55 -1.66 0.98 0.00 0.00 173.24 173.24 1wft s TRP 27 N -0.85 -0.01 0.09 5.02 -2.14 -1.21 -0.63 118.94 119.22 1wft s TRP 27 Ca -0.00 -0.37 0.08 0.00 2.66 0.00 0.00 56.10 58.47 1wft s TRP 27 Cb -0.07 0.41 -0.04 0.00 -3.10 0.00 0.00 33.47 30.67 1wft s TRP 27 CO 0.01 -1.01 -0.16 -1.21 -2.66 0.00 0.00 176.95 171.92 1wft s GLU 28 N -3.92 1.93 0.89 3.25 0.41 -1.25 -4.73 118.70 115.28 1wft s GLU 28 Ca 0.13 -1.09 -0.11 0.00 -0.41 0.00 0.00 54.97 53.48 1wft s GLU 28 Cb -0.02 -2.18 0.12 0.00 -1.78 0.00 0.00 34.13 30.28 1wft s GLU 28 CO 0.02 0.50 1.09 -1.25 -0.49 0.00 0.00 175.26 175.14 1wft s PRO 29 N -1.97 1.34 0.68 0.39 0.04 -1.26 -3.55 135.00 130.66 1wft s PRO 29 Ca 0.18 0.84 -0.14 0.00 0.04 0.00 0.00 61.00 61.92 1wft s PRO 29 Cb -0.11 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1wft s PRO 29 CO 0.10 -2.19 1.11 -1.25 0.04 0.00 0.00 177.00 174.80 1wft s PRO 30 N -4.94 2.70 -0.46 0.56 0.04 -1.26 -4.70 135.00 126.94 1wft s PRO 30 Ca 0.63 1.35 0.01 0.00 0.04 0.00 0.00 61.00 63.03 1wft s PRO 30 Cb -0.18 -1.94 0.50 0.00 0.04 0.00 0.00 34.50 32.92 1wft s PRO 30 CO 0.57 -1.32 1.89 -2.37 0.04 0.00 0.00 177.00 175.80 1wft n THR 31 N -2.62 3.10 -4.43 1.26 5.66 -1.26 -4.90 114.28 111.08 1wft n THR 31 Ca 0.10 -2.02 -0.20 0.00 -3.05 0.00 0.00 64.05 58.88 1wft n THR 31 Cb 0.52 -0.81 -0.15 0.00 -1.55 0.00 0.00 70.33 68.35 1wft n THR 31 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wft s SER 32 N -1.10 1.23 -1.17 1.09 1.04 -1.26 -5.07 113.70 108.46 1wft s SER 32 Ca 0.52 -0.19 -0.23 0.00 0.48 0.00 0.00 55.95 56.53 1wft s SER 32 Cb 0.42 -0.20 -0.09 0.00 0.10 0.00 0.00 66.02 66.25 1wft s SER 32 CO 0.05 0.11 1.93 -0.81 0.98 0.00 0.00 173.24 175.51 1wft n PRO 33 N 2.97 1.60 -1.24 4.02 -0.04 -1.26 -4.78 135.00 136.27 1wft n PRO 33 Ca -0.15 -2.44 -0.22 0.00 -0.04 0.00 0.00 63.50 60.64 1wft n PRO 33 Cb 0.56 -3.70 -0.02 0.00 -0.04 0.00 0.00 33.50 30.30 1wft n PRO 33 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wft n SER 34 N 14.09 6.43 -0.05 3.54 7.64 -1.26 -5.00 113.62 139.01 1wft n SER 34 Ca 0.45 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 57.21 1wft n SER 34 Cb 0.46 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1wft n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wft n GLY 35 N 0.73 0.51 3.67 0.23 0.00 -1.26 -4.41 105.19 104.66 1wft n GLY 35 Ca 0.42 -0.79 -0.53 0.00 0.00 0.00 0.00 46.02 45.11 1wft n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wft n ASN 36 N -3.67 2.75 -4.37 1.61 4.13 -1.26 -4.89 115.26 109.55 1wft n ASN 36 Ca 0.00 0.96 -0.46 0.00 1.68 0.00 0.00 54.58 56.76 1wft n ASN 36 Cb 0.00 -1.24 -0.03 0.00 -1.54 0.00 0.00 39.78 36.97 1wft n ASN 36 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1wft s ILE 37 N 4.22 5.19 1.33 2.41 -1.09 -1.26 -4.44 121.20 127.56 1wft s ILE 37 Ca 0.98 -1.89 -0.21 0.00 -2.23 0.00 0.00 60.65 57.30 1wft s ILE 37 Cb -0.91 -4.56 0.32 0.00 -1.58 0.00 0.00 42.46 35.74 1wft s ILE 37 CO 0.59 -1.18 0.73 0.18 -1.23 0.00 0.00 174.94 174.04 1wft n LEU 38 N 5.22 -0.59 0.00 2.97 4.77 -0.10 -4.97 117.00 124.30 1wft n LEU 38 Ca 0.11 -0.73 -0.08 0.00 -0.03 0.00 0.00 56.01 55.28 1wft n LEU 38 Cb 0.46 -0.94 0.08 0.00 -2.33 0.00 0.00 43.42 40.70 1wft n LEU 38 CO 0.44 -4.22 0.10 -1.84 -1.33 0.00 0.00 177.39 170.54 1wft n GLU 39 N -4.62 -1.35 -4.53 3.23 0.00 -1.26 -4.56 120.64 107.55 1wft n GLU 39 Ca 0.11 -0.40 -0.25 0.00 0.00 0.00 0.00 57.16 56.62 1wft n GLU 39 Cb 0.52 -0.68 -0.11 0.00 0.00 0.00 0.00 31.44 31.17 1wft n GLU 39 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1wft s TYR 40 N -1.25 2.24 -0.18 -1.84 1.51 -0.21 -3.86 117.35 113.74 1wft s TYR 40 Ca 0.19 -0.80 -0.06 0.00 -1.01 0.00 0.00 57.07 55.38 1wft s TYR 40 Cb -0.03 -1.51 0.08 0.00 -0.11 0.00 0.00 41.96 40.39 1wft s TYR 40 CO 0.16 0.24 0.38 0.45 -1.11 0.00 0.00 175.55 175.67 1wft s SER 41 N -3.59 -0.09 0.01 2.29 0.15 -1.25 -3.56 113.70 107.66 1wft s SER 41 Ca 0.35 0.87 -0.05 0.00 0.70 0.00 0.00 55.95 57.83 1wft s SER 41 Cb 0.09 1.18 -0.05 0.00 -1.71 0.00 0.00 66.02 65.53 1wft s SER 41 CO 0.17 -0.24 0.25 0.00 1.20 0.00 0.00 173.24 174.62 1wft s ALA 42 N 2.56 3.88 0.15 5.45 0.00 -1.15 -4.01 121.76 128.65 1wft s ALA 42 Ca -0.01 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.38 1wft s ALA 42 Cb -0.12 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1wft s ALA 42 CO -0.12 0.69 -0.15 0.71 0.00 0.00 0.00 175.76 176.89 1wft s TYR 43 N -1.34 1.55 0.00 0.00 1.51 -1.05 -2.15 117.35 115.87 1wft s TYR 43 Ca 0.29 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1wft s TYR 43 Cb -0.13 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1wft s TYR 43 CO 0.18 0.23 -0.04 -1.17 -1.11 0.00 0.00 175.55 173.64 1wft s LEU 44 N -2.75 2.06 -0.30 -1.29 2.96 -0.42 -3.01 118.68 115.93 1wft s LEU 44 Ca 0.14 -0.15 -0.24 0.00 -0.22 0.00 0.00 54.13 53.66 1wft s LEU 44 Cb -0.03 -0.14 -0.00 0.00 0.50 0.00 0.00 46.19 46.51 1wft s LEU 44 CO 0.04 -0.02 0.80 0.00 -1.32 0.00 0.00 176.35 175.85 1wft s ALA 45 N -0.34 3.55 -0.16 5.97 0.00 -1.26 0.19 121.76 129.71 1wft s ALA 45 Ca -0.02 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1wft s ALA 45 Cb -0.03 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 1wft s ALA 45 CO -0.00 -1.16 -0.09 0.44 0.00 0.00 0.00 175.76 174.95 1wft n ILE 46 N 5.49 0.96 -3.62 0.00 -5.35 -1.26 -0.22 119.36 115.37 1wft n ILE 46 Ca 0.04 -0.44 -0.05 0.00 -0.27 0.00 0.00 62.75 62.03 1wft n ILE 46 Cb 0.48 -0.96 -0.04 0.00 -1.74 0.00 0.00 39.64 37.38 1wft n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wft s ARG 47 N -2.34 0.27 -0.45 6.28 1.04 -1.26 -4.16 118.95 118.33 1wft s ARG 47 Ca -0.18 0.05 -0.22 0.00 -1.04 0.00 0.00 55.73 54.34 1wft s ARG 47 Cb 0.05 0.13 0.03 0.00 -2.04 0.00 0.00 34.95 33.11 1wft s ARG 47 CO 0.44 -0.09 0.74 0.95 -0.04 0.00 0.00 175.30 177.30 1wft s THR 48 N -1.19 4.71 -0.11 4.99 -4.23 -1.26 -4.69 115.64 113.87 1wft s THR 48 Ca 0.05 0.31 -0.27 0.00 -1.18 0.00 0.00 61.69 60.60 1wft s THR 48 Cb -0.01 -4.28 -0.26 0.00 1.34 0.00 0.00 72.50 69.29 1wft s THR 48 CO -0.04 -0.68 0.87 0.00 -0.54 0.00 0.00 174.62 174.22 1wft h ALA 49 N 8.95 -0.01 -0.87 3.99 0.00 -2.00 -3.32 119.26 126.01 1wft h ALA 49 Ca -0.25 -0.49 0.15 0.00 0.00 0.00 0.00 54.91 54.31 1wft h ALA 49 Cb 1.09 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 1wft h ALA 49 CO 0.94 0.03 0.47 1.96 0.00 0.00 0.00 179.25 182.65 1wft h GLN 50 N -0.81 0.65 -6.33 0.00 1.08 -2.02 -3.45 115.11 104.23 1wft h GLN 50 Ca -0.02 -0.04 -0.48 0.00 -1.45 0.00 0.00 58.65 56.66 1wft h GLN 50 Cb 1.03 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 28.26 1wft h GLN 50 CO 0.02 0.43 -0.77 -1.33 -0.95 0.00 0.00 178.83 176.24 1wft n MET 51 N -4.84 -5.34 -3.95 1.46 2.81 -1.25 -4.97 117.12 101.04 1wft n MET 51 Ca 0.18 0.58 -0.23 0.00 -1.81 0.00 0.00 57.70 56.42 1wft n MET 51 Cb 0.43 -5.45 -0.06 0.00 -0.71 0.00 0.00 33.22 27.44 1wft n MET 51 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1wft s GLN 52 N -6.63 2.40 0.00 0.03 -1.52 -1.26 -5.00 119.66 107.68 1wft s GLN 52 Ca 0.65 -1.60 -0.03 0.00 -1.95 0.00 0.00 55.36 52.43 1wft s GLN 52 Cb -0.33 -2.20 -0.13 0.00 -0.22 0.00 0.00 33.01 30.13 1wft s GLN 52 CO 0.84 -0.02 2.69 -0.25 -0.25 0.00 0.00 175.29 178.29 1wft n ASP 53 N -1.29 4.99 -4.73 5.90 9.92 -1.26 -4.92 116.55 125.16 1wft n ASP 53 Ca -0.01 -2.38 -0.34 0.00 -0.53 0.00 0.00 54.79 51.54 1wft n ASP 53 Cb 0.62 -1.21 0.09 0.00 -0.64 0.00 0.00 41.12 39.99 1wft n ASP 53 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1wft s ASN 54 N 2.03 4.28 -1.00 -2.24 -0.87 -1.26 -4.87 114.94 111.02 1wft s ASN 54 Ca 0.33 2.24 -0.24 0.00 -1.57 0.00 0.00 52.86 53.62 1wft s ASN 54 Cb 0.16 -2.58 -0.06 0.00 -0.02 0.00 0.00 41.25 38.75 1wft s ASN 54 CO 0.00 -2.20 1.94 -2.16 -2.57 0.00 0.00 177.10 172.12 1wft s PRO 55 N -4.06 2.54 -1.71 -0.60 0.04 -1.26 -4.01 135.00 125.94 1wft s PRO 55 Ca 0.71 -0.60 -0.15 0.00 0.04 0.00 0.00 61.00 61.01 1wft s PRO 55 Cb -0.26 -5.13 0.14 0.00 0.04 0.00 0.00 34.50 29.29 1wft s PRO 55 CO 0.46 -3.59 0.52 0.43 0.04 0.00 0.00 177.00 174.86 1wft n SER 56 N 14.11 -1.56 -4.87 6.66 7.64 -1.26 -4.91 113.62 129.44 1wft n SER 56 Ca 0.42 -1.15 -0.36 0.00 1.01 0.00 0.00 58.87 58.78 1wft n SER 56 Cb 0.47 -2.13 -0.06 0.00 -1.01 0.00 0.00 64.21 61.48 1wft n SER 56 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1wft s GLN 57 N -7.10 3.68 0.03 1.43 2.00 -1.26 -5.10 119.66 113.35 1wft s GLN 57 Ca 0.54 0.10 0.03 0.00 -2.00 0.00 0.00 55.36 54.03 1wft s GLN 57 Cb -0.31 -3.12 -0.02 0.00 0.80 0.00 0.00 33.01 30.36 1wft s GLN 57 CO 0.98 0.67 -0.10 -0.51 -0.50 0.00 0.00 175.29 175.83 1wft s LEU 58 N -1.47 2.19 -0.43 3.68 1.43 -1.26 -4.95 118.68 117.86 1wft s LEU 58 Ca 0.25 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 1wft s LEU 58 Cb -0.14 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.77 1wft s LEU 58 CO 0.14 -0.07 0.38 0.54 0.23 0.00 0.00 176.35 177.57 1wft s VAL 59 N -0.97 5.17 -0.23 -1.59 0.11 -1.26 -5.05 120.40 116.58 1wft s VAL 59 Ca -0.04 -0.60 -0.08 0.00 -2.93 0.00 0.00 61.98 58.33 1wft s VAL 59 Cb -0.08 -4.02 -0.04 0.00 -1.53 0.00 0.00 36.38 30.71 1wft s VAL 59 CO 0.01 -0.42 0.09 -0.36 -3.33 0.00 0.00 175.10 171.09 1wft s PHE 60 N 1.89 3.19 -0.07 1.54 0.40 -1.26 -4.02 117.98 119.65 1wft s PHE 60 Ca 0.08 -0.08 -0.15 0.00 -0.60 0.00 0.00 56.93 56.19 1wft s PHE 60 Cb -0.19 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.09 1wft s PHE 60 CO 0.11 -0.08 0.38 0.00 0.70 0.00 0.00 175.22 176.33 1wft s MET 61 N 1.08 4.06 -0.02 0.44 0.23 0.13 -4.47 119.30 120.76 1wft s MET 61 Ca 0.05 0.31 -0.34 0.00 -1.03 0.00 0.00 55.69 54.68 1wft s MET 61 Cb -0.14 -3.32 -0.12 0.00 -1.53 0.00 0.00 34.83 29.72 1wft s MET 61 CO 0.04 0.47 1.81 -2.13 -2.03 0.00 0.00 175.02 173.17 1wft n ARG 62 N 2.66 2.22 -0.04 3.16 0.00 -1.26 -1.30 116.66 122.10 1wft n ARG 62 Ca -0.12 0.81 -0.05 0.00 -0.00 0.00 0.00 57.85 58.48 1wft n ARG 62 Cb 0.52 -2.64 -0.04 0.00 0.00 0.00 0.00 32.46 30.30 1wft n ARG 62 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1wft n ILE 63 N 4.72 0.46 -4.93 5.15 -5.35 -0.92 -4.93 119.36 113.56 1wft n ILE 63 Ca 0.21 -0.20 -0.33 0.00 -0.27 0.00 0.00 62.75 62.16 1wft n ILE 63 Cb 0.30 -0.80 -0.15 0.00 -1.74 0.00 0.00 39.64 37.25 1wft n ILE 63 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1wft s TYR 64 N -2.16 2.70 -0.59 4.28 5.04 -1.25 -5.06 117.35 120.31 1wft s TYR 64 Ca -0.09 -0.59 -0.01 0.00 -2.44 0.00 0.00 57.07 53.94 1wft s TYR 64 Cb 0.03 -1.74 0.15 0.00 0.35 0.00 0.00 41.96 40.75 1wft s TYR 64 CO 0.21 -0.14 0.38 0.00 -1.34 0.00 0.00 175.55 174.65 1wft s GLY 66 N 0.36 0.90 0.00 0.00 0.00 -1.23 -5.06 107.32 102.28 1wft s GLY 66 Ca 0.17 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1wft s GLY 66 CO -0.02 -0.61 0.00 1.47 0.00 0.00 0.00 173.10 173.93 1wft n LEU 67 N -0.56 0.00 -4.52 0.66 -0.00 -1.26 -1.05 117.00 110.27 1wft n LEU 67 Ca -0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.59 1wft n LEU 67 Cb 0.61 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 44.08 1wft n LEU 67 CO 0.29 0.00 0.23 1.17 -0.00 0.00 0.00 177.39 179.08 1wft n LYS 68 N -1.51 0.57 -0.57 1.47 3.00 -1.26 -4.52 118.16 115.34 1wft n LYS 68 Ca 0.00 0.23 -0.02 0.00 -0.00 0.00 0.00 58.31 58.52 1wft n LYS 68 Cb 0.25 -1.90 -0.03 0.00 0.00 0.00 0.00 35.03 33.36 1wft n LYS 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1wft n THR 69 N -1.92 2.10 -3.53 3.15 -2.24 -1.26 -4.65 114.28 105.92 1wft n THR 69 Ca 0.12 -0.65 0.02 0.00 -2.27 0.00 0.00 64.05 61.26 1wft n THR 69 Cb 0.48 -1.57 -0.06 0.00 -2.10 0.00 0.00 70.33 67.09 1wft n THR 69 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wft s SER 70 N 2.01 -0.21 0.14 3.42 1.04 -1.26 -3.28 113.70 115.56 1wft s SER 70 Ca 0.11 0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.88 1wft s SER 70 Cb 0.05 1.14 -0.04 0.00 0.10 0.00 0.00 66.02 67.27 1wft s SER 70 CO 0.00 -0.05 -0.03 0.00 0.98 0.00 0.00 173.24 174.14 1wft s THR 72 N -3.61 1.47 0.01 0.00 2.01 -1.26 0.04 115.64 114.30 1wft s THR 72 Ca 0.19 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1wft s THR 72 Cb 0.05 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1wft s THR 72 CO 0.01 0.42 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.59 1wft s VAL 73 N -0.11 3.53 0.40 3.82 1.01 -0.52 -4.96 120.40 123.57 1wft s VAL 73 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1wft s VAL 73 Cb -0.10 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1wft s VAL 73 CO 0.01 0.37 0.60 0.42 0.00 0.00 0.00 175.10 176.51 1wft s THR 74 N -1.00 4.51 0.08 3.92 -4.23 -1.26 -2.02 115.64 115.64 1wft s THR 74 Ca 0.17 -0.51 -0.23 0.00 -1.18 0.00 0.00 61.69 59.94 1wft s THR 74 Cb -0.11 -3.65 -0.15 0.00 1.34 0.00 0.00 72.50 69.93 1wft s THR 74 CO 0.08 -0.43 1.72 0.00 -0.54 0.00 0.00 174.62 175.44 1wft h ALA 75 N 0.59 0.01 -0.91 3.99 0.00 -1.98 -2.76 119.26 118.20 1wft h ALA 75 Ca -0.48 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.56 1wft h ALA 75 Cb 1.24 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 1wft h ALA 75 CO 0.59 -0.48 -0.35 0.41 0.00 0.00 0.00 179.25 179.42 1wft n GLY 76 N -1.02 -1.87 0.06 0.00 0.00 -1.26 -0.30 105.19 100.80 1wft n GLY 76 Ca -0.07 1.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.85 1wft n GLY 76 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wft h GLN 77 N 0.00 0.05 -0.88 1.61 1.08 -1.95 -2.99 115.11 112.04 1wft h GLN 77 Ca 0.32 -0.01 0.23 0.00 -1.45 0.00 0.00 58.65 57.74 1wft h GLN 77 Cb 0.55 -0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 27.82 1wft h GLN 77 CO -0.91 0.21 0.11 -0.07 -0.95 0.00 0.00 178.83 177.23 1wft h LEU 78 N -0.12 -0.24 -0.87 1.46 3.38 -0.36 0.39 115.31 118.95 1wft h LEU 78 Ca 0.01 0.22 0.22 0.00 0.09 0.00 0.00 57.88 58.42 1wft h LEU 78 Cb 0.18 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 41.16 1wft h LEU 78 CO -0.00 -0.23 0.32 0.00 0.09 0.00 0.00 178.44 178.62 1wft h ALA 79 N 1.82 1.33 0.00 1.53 0.00 -1.05 0.86 119.26 123.75 1wft h ALA 79 Ca 0.53 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.59 1wft h ALA 79 Cb 1.05 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wft h ALA 79 CO -0.74 -0.38 -0.16 -0.91 0.00 0.00 0.00 179.25 177.05 1wft h ASN 80 N 0.32 0.00 -2.85 0.00 2.35 -0.33 -3.45 115.58 111.63 1wft h ASN 80 Ca 0.54 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.76 1wft h ASN 80 Cb 1.04 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.48 1wft h ASN 80 CO -0.56 0.16 0.93 0.00 -1.65 0.00 0.00 177.43 176.31 1wft n ALA 81 N -2.17 2.55 -2.67 -0.83 0.00 0.30 -4.21 120.51 113.47 1wft n ALA 81 Ca 0.01 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 1wft n ALA 81 Cb 0.44 -2.48 -0.04 0.00 0.00 0.00 0.00 19.45 17.36 1wft n ALA 81 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1wft s HIS 82 N 0.67 3.41 -0.27 0.00 -3.43 0.70 -4.94 115.29 111.43 1wft s HIS 82 Ca 0.71 1.17 -0.13 0.00 -0.80 0.00 0.00 55.06 56.01 1wft s HIS 82 Cb -0.52 -2.95 -0.04 0.00 -1.43 0.00 0.00 32.58 27.63 1wft s HIS 82 CO 0.39 -0.21 0.28 0.42 -2.00 0.00 0.00 174.74 173.62 1wft s ILE 83 N 2.05 5.25 -0.66 -5.38 1.01 -1.26 -4.46 121.20 117.73 1wft s ILE 83 Ca 0.36 0.38 -0.26 0.00 0.00 0.00 0.00 60.65 61.13 1wft s ILE 83 Cb -0.16 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.73 1wft s ILE 83 CO 0.12 0.21 1.13 -0.62 0.00 0.00 0.00 174.94 175.78 1wft s ASP 84 N 1.62 6.24 -0.03 3.58 2.15 -1.13 -4.86 116.67 124.23 1wft s ASP 84 Ca 0.11 -0.48 0.02 0.00 0.43 0.00 0.00 52.55 52.63 1wft s ASP 84 Cb -0.16 -2.50 0.12 0.00 -0.30 0.00 0.00 42.92 40.08 1wft s ASP 84 CO 0.10 -1.58 0.73 -1.22 -0.17 0.00 0.00 175.17 173.03 1wft n TYR 85 N 8.49 0.30 -1.46 -5.34 4.01 -1.26 -3.38 117.16 118.51 1wft n TYR 85 Ca 0.02 -0.10 -0.13 0.00 -0.16 0.00 0.00 57.90 57.53 1wft n TYR 85 Cb 0.48 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 39.26 1wft n TYR 85 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1wft n THR 86 N 0.07 0.00 -1.88 -0.72 -1.04 -1.26 -3.17 114.28 106.27 1wft n THR 86 Ca 0.04 -0.08 -0.11 0.00 -2.04 0.00 0.00 64.05 61.87 1wft n THR 86 Cb 0.36 -1.68 -0.03 0.00 -1.82 0.00 0.00 70.33 67.16 1wft n THR 86 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1wft n SER 87 N 17.36 -3.15 -3.15 8.00 2.88 -1.26 -4.81 113.62 129.49 1wft n SER 87 Ca 0.35 0.25 0.06 0.00 -1.33 0.00 0.00 58.87 58.19 1wft n SER 87 Cb 0.47 -2.86 -0.01 0.00 -0.75 0.00 0.00 64.21 61.07 1wft n SER 87 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wft s ARG 88 N -3.97 0.04 -0.70 -1.46 3.52 -1.19 -5.11 118.95 110.08 1wft s ARG 88 Ca 0.00 0.05 -0.26 0.00 -0.13 0.00 0.00 55.73 55.39 1wft s ARG 88 Cb 0.00 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.39 1wft s ARG 88 CO 0.00 -0.05 1.89 -1.25 -0.81 0.00 0.00 175.30 175.08 1wft s PRO 89 N 2.99 2.60 0.03 5.12 0.04 -1.26 -4.31 135.00 140.21 1wft s PRO 89 Ca 0.11 0.34 -0.04 0.00 0.04 0.00 0.00 61.00 61.46 1wft s PRO 89 Cb -0.04 -4.59 -0.02 0.00 0.04 0.00 0.00 34.50 29.89 1wft s PRO 89 CO -0.15 -2.93 0.05 0.00 0.04 0.00 0.00 177.00 174.01 1wft s ALA 90 N 9.41 0.02 -0.17 8.56 0.00 -1.22 -1.95 121.76 136.41 1wft s ALA 90 Ca 0.68 -0.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.98 1wft s ALA 90 Cb -0.11 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1wft s ALA 90 CO 0.14 -0.26 0.14 0.42 0.00 0.00 0.00 175.76 176.20 1wft s ILE 91 N -2.22 5.44 -0.00 0.00 1.01 -0.24 -2.83 121.20 122.35 1wft s ILE 91 Ca -0.08 0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.65 1wft s ILE 91 Cb -0.04 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 1wft s ILE 91 CO -0.03 0.51 0.38 -0.69 0.00 0.00 0.00 174.94 175.11 1wft s VAL 92 N -0.18 5.08 0.25 2.92 1.01 -1.26 -0.34 120.40 127.88 1wft s VAL 92 Ca 0.11 0.75 0.03 0.00 0.00 0.00 0.00 61.98 62.86 1wft s VAL 92 Cb -0.11 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1wft s VAL 92 CO 0.01 0.55 0.04 -0.36 0.00 0.00 0.00 175.10 175.34 1wft s PHE 93 N -1.11 1.58 -0.04 5.22 0.08 -0.95 -4.47 117.98 118.29 1wft s PHE 93 Ca 0.24 -1.03 -0.03 0.00 0.12 0.00 0.00 56.93 56.23 1wft s PHE 93 Cb -0.16 -0.94 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 1wft s PHE 93 CO 0.13 -0.16 0.10 1.03 -0.10 0.00 0.00 175.22 176.23 1wft s ARG 94 N -3.94 0.09 -0.07 0.44 1.81 -1.17 -3.55 118.95 112.57 1wft s ARG 94 Ca 0.33 0.21 -0.07 0.00 -1.72 0.00 0.00 55.73 54.48 1wft s ARG 94 Cb 0.07 -0.05 0.02 0.00 -0.45 0.00 0.00 34.95 34.54 1wft s ARG 94 CO 0.11 -0.08 0.19 0.42 -0.68 0.00 0.00 175.30 175.26 1wft s ILE 95 N 0.49 0.00 0.33 1.52 1.01 -1.11 -2.52 121.20 120.94 1wft s ILE 95 Ca -0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.50 1wft s ILE 95 Cb -0.05 -0.28 0.01 0.00 0.01 0.00 0.00 42.46 42.15 1wft s ILE 95 CO -0.02 -0.02 0.55 -0.94 0.00 0.00 0.00 174.94 174.51 1wft s SER 96 N 0.02 0.49 0.05 3.58 1.04 -1.26 -1.15 113.70 116.47 1wft s SER 96 Ca -0.01 -1.28 0.03 0.00 0.48 0.00 0.00 55.95 55.17 1wft s SER 96 Cb -0.02 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 1wft s SER 96 CO 0.00 -1.36 -0.10 0.00 0.98 0.00 0.00 173.24 172.77 1wft s ALA 97 N -3.09 0.74 -0.12 5.32 0.00 -1.26 -4.05 121.76 119.30 1wft s ALA 97 Ca 0.25 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1wft s ALA 97 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1wft s ALA 97 CO 0.16 0.05 -0.12 0.21 0.00 0.00 0.00 175.76 176.06 1wft s LYS 98 N -1.48 3.29 -0.02 0.00 2.20 -1.25 -3.99 119.74 118.48 1wft s LYS 98 Ca -0.06 -0.66 -0.02 0.00 -0.36 0.00 0.00 55.97 54.86 1wft s LYS 98 Cb -0.09 -2.63 -0.01 0.00 -1.51 0.00 0.00 37.83 33.59 1wft s LYS 98 CO 0.01 0.29 -0.04 0.09 -0.36 0.00 0.00 175.35 175.33 1wft n ASN 99 N 3.32 0.27 0.11 1.43 3.02 -1.15 -0.93 115.26 121.33 1wft n ASN 99 Ca -0.18 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1wft n ASN 99 Cb 0.53 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1wft n ASN 99 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wft n GLU 100 N -2.73 0.00 0.06 3.52 1.02 -1.26 -4.11 120.64 117.14 1wft n GLU 100 Ca -0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.02 1wft n GLU 100 Cb 0.06 -0.13 -0.07 0.00 -0.02 0.00 0.00 31.44 31.28 1wft n GLU 100 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1wft h LYS 101 N 0.00 -0.22 0.00 3.49 1.79 -1.99 -3.50 116.57 116.14 1wft h LYS 101 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1wft h LYS 101 Cb 0.04 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1wft h LYS 101 CO 0.00 0.19 0.00 0.41 -1.08 0.00 0.00 179.45 178.97 1wft n GLY 102 N 0.64 1.36 3.87 3.86 0.00 -1.26 -5.14 105.19 108.52 1wft n GLY 102 Ca -0.07 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1wft n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wft s TYR 103 N -0.35 3.30 0.00 1.61 1.51 -1.26 -2.93 117.35 119.23 1wft s TYR 103 Ca 0.00 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1wft s TYR 103 Cb 0.00 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1wft s TYR 103 CO 0.00 0.51 0.00 0.41 -1.11 0.00 0.00 175.55 175.36 1wft n GLY 104 N -0.58 1.05 3.71 0.71 0.00 -1.26 -4.99 105.19 103.83 1wft n GLY 104 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1wft n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 105 N 1.65 4.32 -0.24 1.61 0.04 -1.26 -5.01 135.00 136.11 1wft s PRO 105 Ca 0.00 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 1wft s PRO 105 Cb 0.00 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 1wft s PRO 105 CO 0.00 -0.45 0.09 0.00 0.04 0.00 0.00 177.00 176.68 1wft s ALA 106 N 1.33 3.26 0.51 8.56 0.00 -1.26 -4.54 121.76 129.61 1wft s ALA 106 Ca 0.64 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 1wft s ALA 106 Cb -0.35 -2.12 -0.08 0.00 0.00 0.00 0.00 23.12 20.57 1wft s ALA 106 CO 0.30 -0.40 1.03 -0.08 0.00 0.00 0.00 175.76 176.61 1wft s THR 107 N 1.45 3.88 -0.03 0.00 -1.32 -0.30 -4.86 115.64 114.47 1wft s THR 107 Ca 0.06 1.09 0.03 0.00 -1.21 0.00 0.00 61.69 61.66 1wft s THR 107 Cb -0.15 -3.46 -0.00 0.00 -1.51 0.00 0.00 72.50 67.38 1wft s THR 107 CO 0.05 -0.33 -0.13 -1.58 -2.21 0.00 0.00 174.62 170.42 1wft s GLN 108 N -3.46 1.29 -0.01 7.08 -0.44 -1.26 -2.73 119.66 120.12 1wft s GLN 108 Ca 0.66 -0.44 0.01 0.00 -2.50 0.00 0.00 55.36 53.08 1wft s GLN 108 Cb -0.15 -1.17 0.01 0.00 -1.64 0.00 0.00 33.01 30.06 1wft s GLN 108 CO 0.24 0.18 -0.02 -1.50 0.50 0.00 0.00 175.29 174.69 1wft s ILE 109 N 0.07 0.23 -0.45 -2.34 2.07 -1.23 -4.99 121.20 114.57 1wft s ILE 109 Ca -0.02 -0.07 -0.11 0.00 -1.41 0.00 0.00 60.65 59.04 1wft s ILE 109 Cb -0.09 -0.24 0.09 0.00 0.13 0.00 0.00 42.46 42.35 1wft s ILE 109 CO 0.01 0.10 0.32 -0.13 -1.91 0.00 0.00 174.94 173.33 1wft s ARG 110 N 0.27 2.71 -0.78 3.50 0.52 -1.26 -2.23 118.95 121.68 1wft s ARG 110 Ca -0.02 -1.50 -0.21 0.00 -0.52 0.00 0.00 55.73 53.47 1wft s ARG 110 Cb -0.05 -3.93 0.09 0.00 0.52 0.00 0.00 34.95 31.58 1wft s ARG 110 CO -0.01 -1.04 1.05 -0.46 0.02 0.00 0.00 175.30 174.87 1wft s TRP 111 N 1.48 2.83 0.25 -0.53 -0.00 0.54 -4.78 118.94 118.73 1wft s TRP 111 Ca 0.04 -0.88 -0.30 0.00 -0.00 0.00 0.00 56.10 54.95 1wft s TRP 111 Cb -0.24 -4.31 -0.11 0.00 -0.00 0.00 0.00 33.47 28.80 1wft s TRP 111 CO 0.03 -1.61 1.56 -0.51 -0.00 0.00 0.00 176.95 176.42 1wft s LEU 112 N 3.61 4.36 -0.48 5.86 1.43 -1.26 -1.08 118.68 131.13 1wft s LEU 112 Ca 0.27 2.82 -0.27 0.00 -1.03 0.00 0.00 54.13 55.92 1wft s LEU 112 Cb -0.11 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1wft s LEU 112 CO 0.02 -0.85 1.89 -1.10 0.23 0.00 0.00 176.35 176.54 1wft s GLN 113 N -0.06 2.88 0.00 1.70 -1.52 -0.82 -4.92 119.66 116.91 1wft s GLN 113 Ca 0.64 1.05 0.00 0.00 -1.95 0.00 0.00 55.36 55.10 1wft s GLN 113 Cb -0.46 -4.33 0.00 0.00 -0.22 0.00 0.00 33.01 28.01 1wft s GLN 113 CO 0.43 -2.41 0.00 0.41 -0.25 0.00 0.00 175.29 173.47 1wft n GLY 114 N 5.61 1.26 3.42 3.09 0.00 -1.26 -4.94 105.19 112.37 1wft n GLY 114 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1wft n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wft s ASN 115 N -1.17 4.75 -0.07 1.61 4.22 -1.26 -5.09 114.94 117.93 1wft s ASN 115 Ca 0.00 -0.24 -0.00 0.00 -2.14 0.00 0.00 52.86 50.48 1wft s ASN 115 Cb 0.00 -1.81 0.03 0.00 1.28 0.00 0.00 41.25 40.74 1wft s ASN 115 CO 0.00 0.05 -0.03 -0.44 -2.04 0.00 0.00 177.10 174.64 1wft s SER 116 N 1.11 1.41 0.24 3.54 0.01 -1.26 -5.14 113.70 113.60 1wft s SER 116 Ca 0.02 -0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.12 1wft s SER 116 Cb -0.14 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.57 1wft s SER 116 CO 0.01 -0.13 0.27 -0.54 0.41 0.00 0.00 173.24 173.26 1wft s LYS 117 N 1.53 1.41 0.21 12.44 -0.14 -1.26 -5.18 119.74 128.74 1wft s LYS 117 Ca -0.01 -1.58 -0.19 0.00 -1.36 0.00 0.00 55.97 52.83 1wft s LYS 117 Cb -0.13 0.34 0.03 0.00 -1.68 0.00 0.00 37.83 36.40 1wft s LYS 117 CO -0.03 -0.52 0.58 -1.54 -0.76 0.00 0.00 175.35 173.07 1wft s SER 118 N -3.15 -0.31 0.07 2.83 1.04 -1.26 -5.13 113.70 107.79 1wft s SER 118 Ca 0.34 -0.43 -0.36 0.00 0.48 0.00 0.00 55.95 55.99 1wft s SER 118 Cb 0.04 0.61 -0.19 0.00 0.10 0.00 0.00 66.02 66.58 1wft s SER 118 CO 0.13 -1.10 0.87 0.61 0.98 0.00 0.00 173.24 174.74 1wft n GLY 119 N -0.37 -0.77 0.00 7.32 0.00 -1.26 -4.76 105.19 105.34 1wft n GLY 119 Ca -0.10 0.61 0.06 0.00 0.00 0.00 0.00 46.02 46.59 1wft n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wft n PRO 120 N 1.32 0.49 -1.18 1.61 -0.04 -1.26 -4.86 135.00 131.08 1wft n PRO 120 Ca 0.19 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.29 1wft n PRO 120 Cb 0.14 -1.37 0.07 0.00 -0.04 0.00 0.00 33.50 32.29 1wft n PRO 120 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wft n SER 121 N -0.87 -1.94 -0.34 3.54 3.41 -1.26 -4.79 113.62 111.38 1wft n SER 121 Ca 0.09 0.53 0.19 0.00 -0.26 0.00 0.00 58.87 59.42 1wft n SER 121 Cb 0.04 -1.14 0.36 0.00 -0.26 0.00 0.00 64.21 63.21 1wft n SER 121 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wft h SER 122 N -0.53 -0.28 0.00 4.04 4.64 -2.03 -3.53 113.55 115.86 1wft h SER 122 Ca -0.45 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1wft h SER 122 Cb 1.35 0.43 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 1wft h SER 122 CO 0.40 -0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.60