#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf5 n SER 2 N 0.00 -8.79 -3.65 1.61 2.88 -1.26 -5.09 113.62 99.31 1wf5 n SER 2 Ca 0.00 1.25 -0.01 0.00 -1.33 0.00 0.00 58.87 58.77 1wf5 n SER 2 Cb 0.00 -4.61 -0.03 0.00 -0.75 0.00 0.00 64.21 58.81 1wf5 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wf5 s SER 3 N -1.63 -0.00 0.00 -3.46 0.15 -1.26 -5.18 113.70 102.32 1wf5 s SER 3 Ca 0.00 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1wf5 s SER 3 Cb 0.00 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1wf5 s SER 3 CO 0.00 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1wf5 n GLY 4 N 0.35 0.67 3.17 9.45 0.00 -1.26 -5.10 105.19 112.47 1wf5 n GLY 4 Ca 0.02 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 1wf5 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wf5 n SER 5 N 1.73 -2.68 -4.20 1.61 3.41 -1.26 -5.02 113.62 107.22 1wf5 n SER 5 Ca 0.00 -0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.42 1wf5 n SER 5 Cb 0.00 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.06 1wf5 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wf5 s SER 6 N -1.51 1.38 0.00 4.04 0.01 -1.26 -5.15 113.70 111.21 1wf5 s SER 6 Ca 0.48 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1wf5 s SER 6 Cb -0.04 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1wf5 s SER 6 CO 0.66 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1wf5 n GLY 7 N -0.02 1.48 2.99 3.44 0.00 -1.26 -5.06 105.19 106.76 1wf5 n GLY 7 Ca -0.12 0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1wf5 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wf5 n ARG 8 N -0.04 3.52 -3.49 1.61 3.00 -1.26 -4.88 116.66 115.12 1wf5 n ARG 8 Ca 0.00 -3.53 -0.10 0.00 -0.01 0.00 0.00 57.85 54.21 1wf5 n ARG 8 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 32.46 29.45 1wf5 n ARG 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1wf5 s SER 9 N 1.47 -0.43 0.34 0.55 1.04 -1.26 -5.08 113.70 110.33 1wf5 s SER 9 Ca 0.41 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1wf5 s SER 9 Cb 0.07 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1wf5 s SER 9 CO -0.00 -0.67 0.00 0.00 0.98 0.00 0.00 173.24 173.55 1wf5 n ALA 10 N -0.08 0.00 0.01 5.32 0.00 -1.26 -5.08 120.51 119.42 1wf5 n ALA 10 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wf5 n ALA 10 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1wf5 n ALA 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1wf5 n HIS 11 N -3.23 -1.97 -3.66 0.00 -0.00 -1.26 -5.15 115.22 99.94 1wf5 n HIS 11 Ca 0.00 0.08 -0.21 0.00 -0.00 0.00 0.00 57.72 57.58 1wf5 n HIS 11 Cb 0.00 0.54 -0.04 0.00 -0.00 0.00 0.00 29.99 30.49 1wf5 n HIS 11 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1wf5 s LEU 12 N -5.27 3.35 -0.05 0.27 2.96 -1.26 -5.04 118.68 113.64 1wf5 s LEU 12 Ca 0.00 -0.79 -0.39 0.00 -0.22 0.00 0.00 54.13 52.73 1wf5 s LEU 12 Cb 0.00 -1.96 -0.17 0.00 0.50 0.00 0.00 46.19 44.56 1wf5 s LEU 12 CO 0.00 -0.62 1.40 0.54 -1.32 0.00 0.00 176.35 176.35 1wf5 n ARG 13 N -1.49 0.85 -4.55 1.98 1.74 -1.26 -4.94 116.66 109.00 1wf5 n ARG 13 Ca 0.03 0.31 -0.34 0.00 -0.77 0.00 0.00 57.85 57.08 1wf5 n ARG 13 Cb 0.62 -1.93 -0.12 0.00 -1.02 0.00 0.00 32.46 30.01 1wf5 n ARG 13 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wf5 s VAL 14 N 1.26 3.64 -0.70 1.55 0.11 -1.26 -5.01 120.40 120.00 1wf5 s VAL 14 Ca 0.90 -0.46 -0.24 0.00 -2.93 0.00 0.00 61.98 59.26 1wf5 s VAL 14 Cb -1.08 -2.56 -0.19 0.00 -1.53 0.00 0.00 36.38 31.03 1wf5 s VAL 14 CO 0.55 0.53 1.88 0.54 -3.33 0.00 0.00 175.10 175.27 1wf5 n ARG 15 N 3.22 1.26 -3.48 1.54 1.74 -1.26 -4.31 116.66 115.38 1wf5 n ARG 15 Ca -0.18 -1.78 -0.38 0.00 -0.77 0.00 0.00 57.85 54.75 1wf5 n ARG 15 Cb 0.53 -2.95 -0.06 0.00 -1.02 0.00 0.00 32.46 28.96 1wf5 n ARG 15 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1wf5 s GLN 16 N 5.51 3.96 0.58 5.56 2.00 -1.26 -4.87 119.66 131.14 1wf5 s GLN 16 Ca 0.61 0.43 -0.20 0.00 -2.00 0.00 0.00 55.36 54.20 1wf5 s GLN 16 Cb 0.13 -3.24 -0.04 0.00 0.80 0.00 0.00 33.01 30.65 1wf5 s GLN 16 CO 0.16 0.65 1.14 1.28 -0.50 0.00 0.00 175.29 178.01 1wf5 n LEU 17 N 1.95 4.56 0.00 3.68 7.99 -1.26 -3.63 117.00 130.29 1wf5 n LEU 17 Ca -0.13 0.87 -0.15 0.00 -0.01 0.00 0.00 56.01 56.59 1wf5 n LEU 17 Cb 0.52 -1.47 0.11 0.00 -0.11 0.00 0.00 43.42 42.48 1wf5 n LEU 17 CO 0.38 -1.33 0.37 -0.81 -1.51 0.00 0.00 177.39 174.49 1wf5 n PRO 18 N -1.10 -1.36 -3.81 3.23 -0.04 -1.26 -4.26 135.00 126.39 1wf5 n PRO 18 Ca 0.13 -0.95 -0.33 0.00 -0.04 0.00 0.00 63.50 62.31 1wf5 n PRO 18 Cb 0.46 -0.75 -0.05 0.00 -0.04 0.00 0.00 33.50 33.12 1wf5 n PRO 18 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1wf5 s HIS 19 N -2.23 3.53 0.97 0.54 3.76 -0.80 -4.44 115.29 116.63 1wf5 s HIS 19 Ca 0.37 0.44 -0.11 0.00 -0.15 0.00 0.00 55.06 55.60 1wf5 s HIS 19 Cb -0.02 -1.90 0.17 0.00 1.11 0.00 0.00 32.58 31.94 1wf5 s HIS 19 CO 0.27 0.57 1.09 0.00 -0.85 0.00 0.00 174.74 175.82 1wf5 s ALA 20 N -1.44 0.99 -0.15 -1.40 0.00 -1.26 -4.47 121.76 114.04 1wf5 s ALA 20 Ca 0.32 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 1wf5 s ALA 20 Cb -0.13 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1wf5 s ALA 20 CO 0.22 -2.88 1.27 -1.25 0.00 0.00 0.00 175.76 173.11 1wf5 s PRO 21 N -4.70 4.24 0.78 0.00 0.04 -1.26 -4.49 135.00 129.61 1wf5 s PRO 21 Ca 0.66 1.68 -0.06 0.00 0.04 0.00 0.00 61.00 63.31 1wf5 s PRO 21 Cb -0.21 -3.74 0.13 0.00 0.04 0.00 0.00 34.50 30.71 1wf5 s PRO 21 CO 0.59 -0.68 1.09 -1.21 0.04 0.00 0.00 177.00 176.83 1wf5 s GLU 22 N 3.36 1.53 -1.36 4.56 2.02 -1.23 -4.32 118.70 123.25 1wf5 s GLU 22 Ca 0.55 -0.70 -0.09 0.00 0.02 0.00 0.00 54.97 54.76 1wf5 s GLU 22 Cb -0.22 -2.16 0.01 0.00 0.10 0.00 0.00 34.13 31.86 1wf5 s GLU 22 CO 0.16 -1.65 0.16 1.58 0.02 0.00 0.00 175.26 175.53 1wf5 n HIS 23 N -3.11 -1.19 -2.13 1.61 -0.00 -1.26 0.74 115.22 109.88 1wf5 n HIS 23 Ca 0.13 0.43 -0.37 0.00 0.46 0.00 0.00 57.72 58.37 1wf5 n HIS 23 Cb 0.60 -2.59 -0.03 0.00 -0.12 0.00 0.00 29.99 27.85 1wf5 n HIS 23 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1wf5 n PRO 24 N -4.46 2.35 -3.56 1.57 -0.04 -1.26 -3.85 135.00 125.75 1wf5 n PRO 24 Ca -0.25 -2.73 -0.36 0.00 -0.04 0.00 0.00 63.50 60.11 1wf5 n PRO 24 Cb 0.62 -3.50 -0.08 0.00 -0.04 0.00 0.00 33.50 30.50 1wf5 n PRO 24 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wf5 s VAL 25 N 6.84 5.31 -0.19 0.52 1.01 0.12 -4.28 120.40 129.73 1wf5 s VAL 25 Ca 0.59 0.45 -0.01 0.00 0.00 0.00 0.00 61.98 63.01 1wf5 s VAL 25 Cb 0.04 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1wf5 s VAL 25 CO 0.09 0.36 -0.12 0.00 0.00 0.00 0.00 175.10 175.44 1wf5 s ALA 26 N 0.72 2.60 0.11 5.51 0.00 -1.26 -0.04 121.76 129.39 1wf5 s ALA 26 Ca 0.14 -1.15 0.09 0.00 0.00 0.00 0.00 51.96 51.04 1wf5 s ALA 26 Cb -0.13 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1wf5 s ALA 26 CO 0.04 -0.30 -0.21 0.95 0.00 0.00 0.00 175.76 176.23 1wf5 s THR 27 N 1.24 2.62 1.29 0.00 -4.23 0.96 -4.87 115.64 112.64 1wf5 s THR 27 Ca 0.03 -1.54 -0.20 0.00 -1.18 0.00 0.00 61.69 58.79 1wf5 s THR 27 Cb -0.14 -2.17 0.32 0.00 1.34 0.00 0.00 72.50 71.85 1wf5 s THR 27 CO -0.05 0.14 1.04 -0.76 -0.54 0.00 0.00 174.62 174.44 1wf5 s LEU 28 N -1.99 0.03 -0.45 4.79 1.43 -1.26 0.21 118.68 121.43 1wf5 s LEU 28 Ca 0.16 0.73 -0.06 0.00 -1.03 0.00 0.00 54.13 53.93 1wf5 s LEU 28 Cb -0.10 -2.35 0.12 0.00 0.03 0.00 0.00 46.19 43.88 1wf5 s LEU 28 CO 0.08 -4.60 0.29 -0.44 0.23 0.00 0.00 176.35 171.90 1wf5 s SER 29 N -3.58 5.48 0.00 2.29 0.01 0.42 -3.92 113.70 114.40 1wf5 s SER 29 Ca 0.70 -2.01 0.22 0.00 1.31 0.00 0.00 55.95 56.17 1wf5 s SER 29 Cb -0.11 -1.92 1.10 0.00 0.21 0.00 0.00 66.02 65.30 1wf5 s SER 29 CO 0.57 -0.61 1.71 0.35 0.41 0.00 0.00 173.24 175.67 1wf5 n THR 30 N 4.70 0.32 -0.07 1.44 -2.24 -1.26 -3.50 114.28 113.67 1wf5 n THR 30 Ca -0.04 0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.67 1wf5 n THR 30 Cb 0.41 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 1wf5 n THR 30 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1wf5 n VAL 31 N -1.30 0.92 -3.48 2.28 0.24 -1.26 -4.96 118.33 110.77 1wf5 n VAL 31 Ca 0.10 -0.15 -0.38 0.00 -2.04 0.00 0.00 64.34 61.87 1wf5 n VAL 31 Cb 0.18 -1.75 -0.09 0.00 -1.47 0.00 0.00 33.84 30.72 1wf5 n VAL 31 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1wf5 s GLU 32 N -2.31 4.10 0.30 7.34 -6.30 -1.23 -5.06 118.70 115.54 1wf5 s GLU 32 Ca -0.21 0.01 -0.29 0.00 -2.50 0.00 0.00 54.97 51.98 1wf5 s GLU 32 Cb 0.08 -3.57 -0.10 0.00 0.00 0.00 0.00 34.13 30.54 1wf5 s GLU 32 CO 0.27 -0.07 1.17 1.03 0.02 0.00 0.00 175.26 177.68 1wf5 s ARG 33 N 1.41 4.54 -1.39 4.30 1.81 -1.26 -3.05 118.95 125.31 1wf5 s ARG 33 Ca 0.14 1.94 -0.09 0.00 -1.72 0.00 0.00 55.73 56.01 1wf5 s ARG 33 Cb -0.15 -3.14 0.01 0.00 -0.45 0.00 0.00 34.95 31.23 1wf5 s ARG 33 CO 0.07 0.07 1.12 0.54 -0.68 0.00 0.00 175.30 176.43 1wf5 n ARG 34 N 1.04 -7.58 -4.10 3.54 1.74 -1.26 -4.79 116.66 105.25 1wf5 n ARG 34 Ca -0.01 0.83 -0.14 0.00 -0.77 0.00 0.00 57.85 57.77 1wf5 n ARG 34 Cb 0.44 -5.86 -0.11 0.00 -1.02 0.00 0.00 32.46 25.90 1wf5 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wf5 s ALA 35 N -3.30 0.74 -0.07 7.54 0.00 -1.17 -2.70 121.76 122.80 1wf5 s ALA 35 Ca 0.56 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1wf5 s ALA 35 Cb -0.25 0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1wf5 s ALA 35 CO 0.70 -0.01 -0.06 0.42 0.00 0.00 0.00 175.76 176.80 1wf5 s ILE 36 N -1.66 0.74 -0.35 0.00 1.01 -0.95 -0.44 121.20 119.56 1wf5 s ILE 36 Ca -0.06 -0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 1wf5 s ILE 36 Cb -0.08 -0.76 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 1wf5 s ILE 36 CO 0.00 0.29 0.56 0.20 0.00 0.00 0.00 174.94 176.00 1wf5 s ASN 37 N 1.22 6.36 0.09 3.58 0.01 0.56 -1.18 114.94 125.59 1wf5 s ASN 37 Ca -0.05 0.05 -0.10 0.00 -0.71 0.00 0.00 52.86 52.05 1wf5 s ASN 37 Cb -0.14 -2.29 -0.06 0.00 0.41 0.00 0.00 41.25 39.17 1wf5 s ASN 37 CO -0.02 -0.52 0.41 -0.22 -1.51 0.00 0.00 177.10 175.23 1wf5 s LEU 38 N 2.52 4.34 -0.13 0.60 2.96 0.22 -0.03 118.68 129.15 1wf5 s LEU 38 Ca 0.21 0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 54.86 1wf5 s LEU 38 Cb -0.15 -3.03 0.06 0.00 0.50 0.00 0.00 46.19 43.57 1wf5 s LEU 38 CO 0.14 0.15 0.27 0.42 -1.32 0.00 0.00 176.35 176.01 1wf5 s THR 39 N -1.43 -0.38 0.25 3.68 -4.23 0.94 -2.17 115.64 112.31 1wf5 s THR 39 Ca 0.34 0.26 0.02 0.00 -1.18 0.00 0.00 61.69 61.13 1wf5 s THR 39 Cb -0.14 -0.44 -0.01 0.00 1.34 0.00 0.00 72.50 73.25 1wf5 s THR 39 CO 0.19 0.11 0.08 -2.67 -0.54 0.00 0.00 174.62 171.78 1wf5 n TRP 40 N 5.22 0.15 -4.09 3.99 2.14 0.71 0.13 117.44 125.68 1wf5 n TRP 40 Ca -0.08 -1.58 -0.26 0.00 2.07 0.00 0.00 57.50 57.65 1wf5 n TRP 40 Cb 0.50 -0.03 -0.06 0.00 -0.81 0.00 0.00 31.31 30.92 1wf5 n TRP 40 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 1wf5 s THR 41 N -2.43 4.42 -0.41 -1.67 2.01 0.23 -4.79 115.64 113.00 1wf5 s THR 41 Ca 0.11 -1.13 -0.28 0.00 0.31 0.00 0.00 61.69 60.69 1wf5 s THR 41 Cb 0.01 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.27 1wf5 s THR 41 CO 0.08 -0.13 1.08 -0.75 -0.69 0.00 0.00 174.62 174.22 1wf5 s LYS 42 N -3.14 3.85 1.04 4.92 2.36 -1.26 -3.55 119.74 123.95 1wf5 s LYS 42 Ca 0.31 0.73 -0.16 0.00 -2.55 0.00 0.00 55.97 54.30 1wf5 s LYS 42 Cb -0.10 -3.84 0.22 0.00 -1.05 0.00 0.00 37.83 33.06 1wf5 s LYS 42 CO 0.23 -1.16 1.20 -1.25 1.55 0.00 0.00 175.35 175.92 1wf5 s PRO 43 N 4.03 0.09 0.34 4.03 0.04 -1.26 -4.96 135.00 137.32 1wf5 s PRO 43 Ca 0.46 -0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 1wf5 s PRO 43 Cb -0.10 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 1wf5 s PRO 43 CO 0.24 -2.83 0.72 0.12 0.04 0.00 0.00 177.00 175.29 1wf5 s PHE 44 N -3.41 3.42 -0.21 0.56 5.36 -1.26 -4.86 117.98 117.58 1wf5 s PHE 44 Ca 0.70 1.08 -0.13 0.00 -0.96 0.00 0.00 56.93 57.62 1wf5 s PHE 44 Cb -0.09 -2.44 -0.05 0.00 -0.34 0.00 0.00 43.02 40.10 1wf5 s PHE 44 CO 0.54 0.04 0.26 0.16 -1.46 0.00 0.00 175.22 174.76 1wf5 s ASP 45 N -2.69 6.29 0.29 6.13 -4.77 -1.26 -1.91 116.67 118.75 1wf5 s ASP 45 Ca 0.52 0.32 0.03 0.00 -3.30 0.00 0.00 52.55 50.12 1wf5 s ASP 45 Cb -0.10 -2.16 0.61 0.00 -1.09 0.00 0.00 42.92 40.18 1wf5 s ASP 45 CO 0.24 0.03 1.82 1.23 0.70 0.00 0.00 175.17 179.18 1wf5 h GLY 46 N 7.37 1.70 0.00 2.12 0.00 -1.74 -3.43 103.07 109.09 1wf5 h GLY 46 Ca -0.38 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1wf5 h GLY 46 CO 0.70 0.09 0.00 0.70 0.00 0.00 0.00 176.54 178.03 1wf5 n ASN 47 N -4.66 0.00 -4.93 0.19 3.02 -1.26 -4.61 115.26 103.01 1wf5 n ASN 47 Ca 0.20 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.50 1wf5 n ASN 47 Cb 0.42 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.58 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wf5 s SER 48 N -0.79 6.32 0.58 6.41 0.15 -1.26 -5.05 113.70 120.06 1wf5 s SER 48 Ca 0.00 0.52 -0.16 0.00 0.70 0.00 0.00 55.95 57.01 1wf5 s SER 48 Cb 0.00 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 1wf5 s SER 48 CO 0.00 -0.28 1.05 -2.16 1.20 0.00 0.00 173.24 173.04 1wf5 s PRO 49 N -4.16 3.43 0.25 5.44 0.04 -1.26 -4.81 135.00 133.93 1wf5 s PRO 49 Ca 0.41 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 1wf5 s PRO 49 Cb -0.10 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1wf5 s PRO 49 CO 0.35 -0.72 1.35 -0.51 0.04 0.00 0.00 177.00 177.52 1wf5 s LEU 50 N -4.39 4.41 -0.25 -3.56 1.43 -1.26 -3.86 118.68 111.21 1wf5 s LEU 50 Ca 0.63 2.56 -0.15 0.00 -1.03 0.00 0.00 54.13 56.14 1wf5 s LEU 50 Cb -0.15 -3.62 -0.11 0.00 0.03 0.00 0.00 46.19 42.33 1wf5 s LEU 50 CO 0.35 -0.58 -0.29 -0.38 0.23 0.00 0.00 176.35 175.68 1wf5 n ILE 51 N 2.06 1.52 -3.21 -0.59 5.41 -0.06 -4.70 119.36 119.79 1wf5 n ILE 51 Ca 0.05 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1wf5 n ILE 51 Cb 0.42 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 1wf5 n ILE 51 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1wf5 n ARG 52 N -4.32 0.00 -3.87 0.38 1.85 -0.44 -3.94 116.66 106.31 1wf5 n ARG 52 Ca -0.43 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.31 1wf5 n ARG 52 Cb 0.77 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 32.06 1wf5 n ARG 52 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1wf5 s TYR 53 N -6.69 0.00 -0.47 2.89 1.51 -1.18 -1.51 117.35 111.90 1wf5 s TYR 53 Ca 0.00 0.01 -0.08 0.00 -1.01 0.00 0.00 57.07 55.99 1wf5 s TYR 53 Cb 0.00 -0.03 0.12 0.00 -0.11 0.00 0.00 41.96 41.94 1wf5 s TYR 53 CO 0.00 -0.14 0.33 0.42 -1.11 0.00 0.00 175.55 175.05 1wf5 s ILE 54 N -0.63 4.06 -0.25 2.71 1.01 -1.23 -3.31 121.20 123.56 1wf5 s ILE 54 Ca -0.07 -1.88 -0.21 0.00 0.00 0.00 0.00 60.65 58.49 1wf5 s ILE 54 Cb -0.04 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1wf5 s ILE 54 CO 0.00 -0.77 0.67 -0.22 0.00 0.00 0.00 174.94 174.62 1wf5 s LEU 55 N 1.27 4.07 -0.19 2.97 0.20 -0.44 -2.99 118.68 123.57 1wf5 s LEU 55 Ca 0.07 0.77 -0.03 0.00 0.69 0.00 0.00 54.13 55.63 1wf5 s LEU 55 Cb -0.25 -2.91 -0.01 0.00 -0.43 0.00 0.00 46.19 42.58 1wf5 s LEU 55 CO -0.02 -0.39 -0.07 -1.61 -0.29 0.00 0.00 176.35 173.97 1wf5 s GLU 56 N 2.55 3.39 -0.12 1.98 2.02 -0.59 -1.42 118.70 126.52 1wf5 s GLU 56 Ca 0.28 -0.64 -0.05 0.00 0.02 0.00 0.00 54.97 54.58 1wf5 s GLU 56 Cb -0.15 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 1wf5 s GLU 56 CO 0.08 -0.06 0.07 1.41 0.02 0.00 0.00 175.26 176.78 1wf5 s MET 57 N 1.10 3.35 -0.15 1.61 -2.45 -0.78 -1.94 119.30 120.04 1wf5 s MET 57 Ca 0.01 -0.29 0.00 0.00 -1.25 0.00 0.00 55.69 54.17 1wf5 s MET 57 Cb -0.15 -3.03 0.03 0.00 1.25 0.00 0.00 34.83 32.94 1wf5 s MET 57 CO -0.01 0.65 -0.11 0.45 1.05 0.00 0.00 175.02 177.05 1wf5 s SER 58 N -0.71 2.72 -0.02 1.11 0.15 -0.94 -1.72 113.70 114.29 1wf5 s SER 58 Ca 0.12 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.26 1wf5 s SER 58 Cb -0.12 -1.09 -0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1wf5 s SER 58 CO 0.03 -0.10 -0.08 -0.70 1.20 0.00 0.00 173.24 173.58 1wf5 s GLU 59 N 1.53 0.81 -0.62 5.44 2.12 -1.26 -0.60 118.70 126.12 1wf5 s GLU 59 Ca 0.04 -0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.07 1wf5 s GLU 59 Cb -0.14 -0.77 -0.01 0.00 0.26 0.00 0.00 34.13 33.48 1wf5 s GLU 59 CO -0.09 0.13 0.58 0.09 -0.54 0.00 0.00 175.26 175.43 1wf5 n ASN 60 N 3.14 -6.61 -2.99 -1.70 5.03 -1.26 -2.56 115.26 108.31 1wf5 n ASN 60 Ca -0.16 -0.10 -0.16 0.00 0.87 0.00 0.00 54.58 55.02 1wf5 n ASN 60 Cb 0.55 -4.47 -0.03 0.00 -1.02 0.00 0.00 39.78 34.81 1wf5 n ASN 60 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1wf5 n ASN 61 N -1.74 -1.13 -4.88 6.41 3.02 -1.26 -4.84 115.26 110.85 1wf5 n ASN 61 Ca -0.01 -0.27 -0.32 0.00 -0.03 0.00 0.00 54.58 53.96 1wf5 n ASN 61 Cb 0.51 -1.04 -0.05 0.00 -0.61 0.00 0.00 39.78 38.59 1wf5 n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wf5 s ALA 62 N -2.19 3.57 0.43 5.41 0.00 -1.06 -5.06 121.76 122.86 1wf5 s ALA 62 Ca 0.32 -0.29 -0.23 0.00 0.00 0.00 0.00 51.96 51.76 1wf5 s ALA 62 Cb -0.19 -2.43 -0.09 0.00 0.00 0.00 0.00 23.12 20.42 1wf5 s ALA 62 CO 0.39 0.49 1.05 -1.25 0.00 0.00 0.00 175.76 176.44 1wf5 s PRO 63 N -2.87 4.02 -0.50 0.00 0.04 -1.26 -4.27 135.00 130.15 1wf5 s PRO 63 Ca 0.47 1.47 -0.40 0.00 0.04 0.00 0.00 61.00 62.57 1wf5 s PRO 63 Cb -0.11 -2.38 -0.17 0.00 0.04 0.00 0.00 34.50 31.88 1wf5 s PRO 63 CO 0.22 -0.26 2.20 0.91 0.04 0.00 0.00 177.00 180.11 1wf5 n TRP 64 N -0.40 1.22 -3.64 0.56 7.02 -1.26 -4.70 117.44 116.23 1wf5 n TRP 64 Ca 0.07 0.60 -0.39 0.00 -1.02 0.00 0.00 57.50 56.76 1wf5 n TRP 64 Cb 0.51 -2.36 -0.12 0.00 -2.42 0.00 0.00 31.31 26.92 1wf5 n TRP 64 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1wf5 s THR 65 N 6.68 4.62 -0.61 -0.99 -1.32 -0.70 -4.89 115.64 118.43 1wf5 s THR 65 Ca 1.18 -0.49 -0.28 0.00 -1.21 0.00 0.00 61.69 60.90 1wf5 s THR 65 Cb -1.30 -3.39 -0.11 0.00 -1.51 0.00 0.00 72.50 66.19 1wf5 s THR 65 CO 0.60 0.02 2.48 0.52 -2.21 0.00 0.00 174.62 176.02 1wf5 n VAL 66 N 4.99 -0.04 -0.06 5.08 0.31 -1.26 -1.86 118.33 125.47 1wf5 n VAL 66 Ca -0.13 -0.57 -0.04 0.00 -0.01 0.00 0.00 64.34 63.59 1wf5 n VAL 66 Cb 0.49 -2.15 -0.01 0.00 -0.91 0.00 0.00 33.84 31.25 1wf5 n VAL 66 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1wf5 h LEU 67 N 17.27 0.00 -8.24 7.52 5.85 -1.59 -3.45 115.31 132.67 1wf5 h LEU 67 Ca -0.20 -0.03 -0.70 0.00 0.84 0.00 0.00 57.88 57.80 1wf5 h LEU 67 Cb 1.28 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 42.04 1wf5 h LEU 67 CO 1.21 0.69 -0.58 -0.22 -0.34 0.00 0.00 178.44 179.21 1wf5 s LEU 68 N -8.32 4.47 -0.10 2.25 0.20 -0.89 -4.93 118.68 111.35 1wf5 s LEU 68 Ca -0.10 -1.12 -0.10 0.00 0.69 0.00 0.00 54.13 53.51 1wf5 s LEU 68 Cb 0.01 -1.92 -0.27 0.00 -0.43 0.00 0.00 46.19 43.59 1wf5 s LEU 68 CO 0.16 -0.35 0.46 0.00 -0.29 0.00 0.00 176.35 176.33 1wf5 h ALA 69 N 8.29 0.32 -2.23 5.97 0.00 -1.85 -1.17 119.26 128.59 1wf5 h ALA 69 Ca -0.24 -1.29 -0.75 0.00 0.00 0.00 0.00 54.91 52.64 1wf5 h ALA 69 Cb 1.09 0.62 -0.25 0.00 0.00 0.00 0.00 17.79 19.25 1wf5 h ALA 69 CO 0.63 1.16 -0.27 0.45 0.00 0.00 0.00 179.25 181.22 1wf5 s SER 70 N -7.11 6.08 0.15 0.00 0.15 -1.26 -4.49 113.70 107.22 1wf5 s SER 70 Ca -0.21 -1.79 0.10 0.00 0.70 0.00 0.00 55.95 54.76 1wf5 s SER 70 Cb 0.06 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1wf5 s SER 70 CO 0.78 -0.81 -0.24 -0.69 1.20 0.00 0.00 173.24 173.49 1wf5 s VAL 71 N 1.55 2.14 0.27 4.45 1.01 -1.21 -4.95 120.40 123.66 1wf5 s VAL 71 Ca 0.04 -1.85 -0.29 0.00 0.00 0.00 0.00 61.98 59.87 1wf5 s VAL 71 Cb -0.29 -1.95 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 1wf5 s VAL 71 CO 0.02 -0.07 1.24 -1.81 0.00 0.00 0.00 175.10 174.48 1wf5 s ASP 72 N -2.35 6.98 0.17 3.32 1.01 -1.26 -3.09 116.67 121.44 1wf5 s ASP 72 Ca 0.16 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.87 1wf5 s ASP 72 Cb -0.09 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.24 1wf5 s ASP 72 CO 0.07 -0.40 1.40 1.55 0.21 0.00 0.00 175.17 178.00 1wf5 h PRO 73 N 4.18 0.29 -0.24 8.23 0.13 -1.84 -2.83 132.00 139.91 1wf5 h PRO 73 Ca -0.47 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1wf5 h PRO 73 Cb 1.22 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1wf5 h PRO 73 CO 0.70 0.96 0.00 1.63 -0.23 0.00 0.00 178.00 181.06 1wf5 n LYS 74 N -3.74 1.56 -3.72 0.86 5.02 -1.26 -4.82 118.16 112.07 1wf5 n LYS 74 Ca -0.04 -0.87 -0.37 0.00 -2.02 0.00 0.00 58.31 55.00 1wf5 n LYS 74 Cb 0.77 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.52 1wf5 n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wf5 s ALA 75 N -1.68 3.78 0.00 7.82 0.00 -1.07 -4.96 121.76 125.65 1wf5 s ALA 75 Ca 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1wf5 s ALA 75 Cb 0.09 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1wf5 s ALA 75 CO 0.11 0.49 0.66 0.25 0.00 0.00 0.00 175.76 177.27 1wf5 n THR 76 N 2.21 0.39 -3.77 0.00 -2.24 -1.26 -4.91 114.28 104.70 1wf5 n THR 76 Ca -0.17 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 60.85 1wf5 n THR 76 Cb 0.54 0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 69.55 1wf5 n THR 76 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wf5 s SER 77 N -0.39 -0.25 0.04 3.42 1.04 -1.26 -0.21 113.70 116.09 1wf5 s SER 77 Ca 0.00 0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.78 1wf5 s SER 77 Cb 0.00 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1wf5 s SER 77 CO 0.00 -0.25 0.02 0.54 0.98 0.00 0.00 173.24 174.53 1wf5 s VAL 78 N -0.48 0.16 -0.08 5.02 0.11 -0.92 -4.94 120.40 119.28 1wf5 s VAL 78 Ca -0.06 -1.35 0.02 0.00 -2.93 0.00 0.00 61.98 57.66 1wf5 s VAL 78 Cb -0.04 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1wf5 s VAL 78 CO 0.02 -0.75 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.02 1wf5 s THR 79 N -2.97 3.15 -0.42 5.04 2.01 -1.26 0.68 115.64 121.88 1wf5 s THR 79 Ca -0.02 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 1wf5 s THR 79 Cb 0.01 -2.27 0.10 0.00 0.01 0.00 0.00 72.50 70.36 1wf5 s THR 79 CO -0.06 0.57 0.24 -0.69 -0.69 0.00 0.00 174.62 173.98 1wf5 s VAL 80 N -0.43 3.65 0.42 3.82 1.01 -0.32 -4.92 120.40 123.63 1wf5 s VAL 80 Ca 0.05 -1.85 0.01 0.00 0.00 0.00 0.00 61.98 60.20 1wf5 s VAL 80 Cb -0.12 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1wf5 s VAL 80 CO 0.02 -0.65 0.63 -0.54 0.00 0.00 0.00 175.10 174.56 1wf5 s LYS 81 N 1.25 3.11 -0.43 2.72 1.02 -1.26 -2.24 119.74 123.90 1wf5 s LYS 81 Ca 0.06 -0.56 -0.00 0.00 0.02 0.00 0.00 55.97 55.49 1wf5 s LYS 81 Cb -0.24 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 1wf5 s LYS 81 CO -0.02 -0.19 0.41 0.41 -0.92 0.00 0.00 175.35 175.04 1wf5 n GLY 82 N -1.99 -0.86 3.51 -3.33 0.00 -1.10 -5.00 105.19 96.43 1wf5 n GLY 82 Ca 0.01 0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1wf5 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wf5 s LEU 83 N -3.13 2.57 -0.19 0.99 1.43 -1.20 -5.08 118.68 114.07 1wf5 s LEU 83 Ca 0.00 -1.29 -0.08 0.00 -1.03 0.00 0.00 54.13 51.73 1wf5 s LEU 83 Cb -0.00 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1wf5 s LEU 83 CO 0.44 -0.41 0.09 -0.69 0.23 0.00 0.00 176.35 176.01 1wf5 s VAL 84 N -2.92 5.09 0.30 -1.59 1.01 -1.26 -4.91 120.40 116.13 1wf5 s VAL 84 Ca 0.33 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 1wf5 s VAL 84 Cb 0.06 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 1wf5 s VAL 84 CO 0.15 0.46 1.07 -2.16 0.00 0.00 0.00 175.10 174.63 1wf5 s PRO 85 N 0.29 4.55 -0.32 2.72 0.04 -1.26 -3.68 135.00 137.34 1wf5 s PRO 85 Ca 0.06 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1wf5 s PRO 85 Cb -0.12 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1wf5 s PRO 85 CO -0.01 0.16 0.27 0.00 0.04 0.00 0.00 177.00 177.47 1wf5 n ALA 86 N 0.94 -0.43 -3.34 8.56 0.00 0.16 -4.64 120.51 121.76 1wf5 n ALA 86 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1wf5 n ALA 86 Cb 0.46 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 1wf5 n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wf5 s ARG 87 N -4.79 0.82 0.42 0.00 0.52 -1.12 -4.96 118.95 109.84 1wf5 s ARG 87 Ca 0.07 -0.03 -0.22 0.00 -0.52 0.00 0.00 55.73 55.03 1wf5 s ARG 87 Cb -0.03 0.37 -0.11 0.00 0.52 0.00 0.00 34.95 35.71 1wf5 s ARG 87 CO 0.18 -0.24 0.96 -1.12 0.02 0.00 0.00 175.30 175.10 1wf5 s SER 88 N -1.30 6.96 -0.10 0.23 0.01 -1.26 -0.38 113.70 117.86 1wf5 s SER 88 Ca -0.12 1.73 -0.05 0.00 1.31 0.00 0.00 55.95 58.82 1wf5 s SER 88 Cb -0.03 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.70 1wf5 s SER 88 CO 0.06 -0.34 0.22 -0.31 0.41 0.00 0.00 173.24 173.28 1wf5 s TYR 89 N -2.08 -0.30 0.30 2.43 2.02 0.23 -4.02 117.35 115.92 1wf5 s TYR 89 Ca 0.61 0.74 0.09 0.00 -0.37 0.00 0.00 57.07 58.14 1wf5 s TYR 89 Cb -0.11 -0.01 -0.05 0.00 -0.40 0.00 0.00 41.96 41.40 1wf5 s TYR 89 CO 0.15 -0.24 0.01 -0.65 -1.57 0.00 0.00 175.55 173.25 1wf5 s GLN 90 N 1.44 2.21 -0.10 -0.62 -0.21 0.23 -2.73 119.66 119.88 1wf5 s GLN 90 Ca -0.07 -1.54 -0.12 0.00 0.02 0.00 0.00 55.36 53.65 1wf5 s GLN 90 Cb -0.11 -2.08 0.03 0.00 1.00 0.00 0.00 33.01 31.85 1wf5 s GLN 90 CO -0.08 0.27 0.33 -0.06 -2.12 0.00 0.00 175.29 173.63 1wf5 s PHE 91 N -2.40 -0.32 -0.30 0.91 0.08 -1.26 -2.22 117.98 112.48 1wf5 s PHE 91 Ca 0.33 0.72 -0.06 0.00 0.12 0.00 0.00 56.93 58.04 1wf5 s PHE 91 Cb -0.04 0.12 0.18 0.00 -0.57 0.00 0.00 43.02 42.70 1wf5 s PHE 91 CO 0.20 -0.23 0.75 -0.98 -0.10 0.00 0.00 175.22 174.85 1wf5 s ARG 92 N -0.23 0.46 0.15 0.44 1.70 -0.82 -2.85 118.95 117.80 1wf5 s ARG 92 Ca -0.04 0.89 0.08 0.00 -0.47 0.00 0.00 55.73 56.19 1wf5 s ARG 92 Cb -0.03 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 1wf5 s ARG 92 CO 0.01 -0.41 -0.08 -0.48 -1.08 0.00 0.00 175.30 173.26 1wf5 s LEU 93 N 2.85 3.04 0.46 -1.89 2.34 -1.26 -1.54 118.68 122.68 1wf5 s LEU 93 Ca 0.10 -0.49 0.05 0.00 0.06 0.00 0.00 54.13 53.85 1wf5 s LEU 93 Cb -0.13 -1.76 -0.03 0.00 -0.56 0.00 0.00 46.19 43.72 1wf5 s LEU 93 CO -0.18 0.13 0.15 0.00 -1.06 0.00 0.00 176.35 175.39 1wf5 s ALA 95 N -2.72 3.45 -0.14 0.00 0.00 -1.22 -3.55 121.76 117.58 1wf5 s ALA 95 Ca 0.30 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.80 1wf5 s ALA 95 Cb 0.03 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1wf5 s ALA 95 CO 0.17 -1.04 -0.09 0.08 0.00 0.00 0.00 175.76 174.88 1wf5 s VAL 96 N 1.69 3.42 0.29 0.00 1.01 -0.57 -2.28 120.40 123.96 1wf5 s VAL 96 Ca 0.05 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1wf5 s VAL 96 Cb -0.18 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1wf5 s VAL 96 CO 0.10 0.51 0.25 0.54 0.00 0.00 0.00 175.10 176.50 1wf5 s ASN 97 N 0.32 1.21 0.18 3.32 4.22 0.32 -0.88 114.94 123.63 1wf5 s ASN 97 Ca -0.08 -1.64 -0.28 0.00 -2.14 0.00 0.00 52.86 48.73 1wf5 s ASN 97 Cb -0.15 0.51 0.00 0.00 1.28 0.00 0.00 41.25 42.89 1wf5 s ASN 97 CO 0.04 -1.01 1.54 -0.67 -2.04 0.00 0.00 177.10 174.96 1wf5 n ASP 98 N -1.18 -0.96 -0.34 3.54 2.03 -1.25 0.10 116.55 118.49 1wf5 n ASP 98 Ca 0.06 1.76 0.04 0.00 0.52 0.00 0.00 54.79 57.17 1wf5 n ASP 98 Cb 0.63 -0.27 0.11 0.00 -0.72 0.00 0.00 41.12 40.87 1wf5 n ASP 98 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1wf5 h VAL 99 N 0.00 0.04 0.00 5.18 -1.51 -1.90 -3.47 116.25 114.60 1wf5 h VAL 99 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.67 1wf5 h VAL 99 Cb 0.45 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.66 1wf5 h VAL 99 CO -0.95 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.00 1wf5 n GLY 100 N -1.58 -0.44 3.08 5.19 0.00 0.29 -5.01 105.19 106.72 1wf5 n GLY 100 Ca 0.14 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1wf5 n GLY 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wf5 s LYS 101 N -0.83 1.37 0.00 1.61 2.20 -1.26 0.12 119.74 122.95 1wf5 s LYS 101 Ca 0.00 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1wf5 s LYS 101 Cb 0.00 -1.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.09 1wf5 s LYS 101 CO 0.00 0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 1wf5 n GLY 102 N 3.12 0.64 3.75 5.54 0.00 -0.97 -4.91 105.19 112.36 1wf5 n GLY 102 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1wf5 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wf5 s GLN 103 N 1.68 2.17 0.39 1.61 -2.07 -1.26 -4.94 119.66 117.25 1wf5 s GLN 103 Ca 0.00 -2.07 0.08 0.00 -1.82 0.00 0.00 55.36 51.55 1wf5 s GLN 103 Cb 0.00 -1.82 -0.03 0.00 -1.09 0.00 0.00 33.01 30.08 1wf5 s GLN 103 CO 0.00 -0.25 0.32 -0.06 -1.32 0.00 0.00 175.29 173.98 1wf5 s PHE 104 N -2.72 2.74 0.10 9.60 0.40 -1.26 -3.45 117.98 123.38 1wf5 s PHE 104 Ca 0.30 -0.46 -0.19 0.00 -0.60 0.00 0.00 56.93 55.98 1wf5 s PHE 104 Cb 0.04 -2.04 -0.07 0.00 0.51 0.00 0.00 43.02 41.46 1wf5 s PHE 104 CO 0.16 0.00 0.58 -1.54 0.70 0.00 0.00 175.22 175.13 1wf5 s SER 105 N -4.06 7.04 0.91 1.36 1.04 -1.00 -4.78 113.70 114.21 1wf5 s SER 105 Ca 0.45 1.26 -0.14 0.00 0.48 0.00 0.00 55.95 58.00 1wf5 s SER 105 Cb -0.03 -2.36 -0.01 0.00 0.10 0.00 0.00 66.02 63.72 1wf5 s SER 105 CO 0.27 0.23 0.21 2.29 0.98 0.00 0.00 173.24 177.22 1wf5 n LYS 106 N 1.50 -0.13 -1.67 4.02 0.00 -1.26 -4.59 118.16 116.03 1wf5 n LYS 106 Ca -0.09 -0.00 -0.46 0.00 -0.00 0.00 0.00 58.31 57.76 1wf5 n LYS 106 Cb 0.51 -1.69 -0.04 0.00 -0.00 0.00 0.00 35.03 33.81 1wf5 n LYS 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1wf5 n ASP 107 N -0.24 3.73 -4.71 -5.58 5.68 -1.26 -4.79 116.55 109.37 1wf5 n ASP 107 Ca 0.06 0.94 -0.33 0.00 -0.50 0.00 0.00 54.79 54.95 1wf5 n ASP 107 Cb 0.53 -1.43 0.11 0.00 -1.14 0.00 0.00 41.12 39.19 1wf5 n ASP 107 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1wf5 s THR 108 N 4.29 2.30 -0.48 2.12 -4.23 -1.13 -4.74 115.64 113.76 1wf5 s THR 108 Ca 0.92 0.13 -0.43 0.00 -1.18 0.00 0.00 61.69 61.13 1wf5 s THR 108 Cb -0.59 -2.60 -0.18 0.00 1.34 0.00 0.00 72.50 70.46 1wf5 s THR 108 CO 0.48 -0.09 1.91 -0.62 -0.54 0.00 0.00 174.62 175.76 1wf5 n GLU 109 N -3.05 0.00 -1.12 3.99 1.02 -1.26 -4.46 120.64 115.76 1wf5 n GLU 109 Ca 0.13 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.97 1wf5 n GLU 109 Cb 0.51 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 30.37 1wf5 n GLU 109 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1wf5 n ARG 110 N 6.28 0.00 -3.42 3.49 0.63 -1.26 -4.81 116.66 117.57 1wf5 n ARG 110 Ca 0.46 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 57.01 1wf5 n ARG 110 Cb -0.04 -1.10 -0.08 0.00 0.45 0.00 0.00 32.46 31.68 1wf5 n ARG 110 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wf5 s VAL 111 N 6.31 5.20 -0.02 5.15 1.01 -1.11 -4.95 120.40 132.00 1wf5 s VAL 111 Ca 1.02 0.58 0.04 0.00 0.00 0.00 0.00 61.98 63.62 1wf5 s VAL 111 Cb -0.92 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 1wf5 s VAL 111 CO 0.37 0.22 -0.11 -0.55 0.00 0.00 0.00 175.10 175.03 1wf5 s SER 112 N 1.33 4.30 0.11 3.32 0.15 -1.26 0.76 113.70 122.41 1wf5 s SER 112 Ca 0.16 -0.18 -0.17 0.00 0.70 0.00 0.00 55.95 56.46 1wf5 s SER 112 Cb -0.15 -0.94 -0.07 0.00 -1.71 0.00 0.00 66.02 63.15 1wf5 s SER 112 CO 0.08 0.31 0.55 -0.22 1.20 0.00 0.00 173.24 175.17 1wf5 s LEU 113 N -1.09 4.43 0.47 3.45 2.96 0.49 -4.94 118.68 124.44 1wf5 s LEU 113 Ca 0.14 1.16 -0.21 0.00 -0.22 0.00 0.00 54.13 55.00 1wf5 s LEU 113 Cb -0.11 -3.08 -0.09 0.00 0.50 0.00 0.00 46.19 43.41 1wf5 s LEU 113 CO 0.04 0.19 1.04 -2.16 -1.32 0.00 0.00 176.35 174.13 1wf5 s PRO 114 N -1.55 3.87 0.91 0.98 0.04 -1.26 0.35 135.00 138.33 1wf5 s PRO 114 Ca 0.33 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 1wf5 s PRO 114 Cb -0.17 -2.17 0.12 0.00 0.04 0.00 0.00 34.50 32.32 1wf5 s PRO 114 CO 0.19 -0.38 1.04 -1.91 0.04 0.00 0.00 177.00 175.98 1wf5 n GLU 115 N -0.81 -0.34 -2.12 4.56 2.13 -1.26 -2.60 120.64 120.21 1wf5 n GLU 115 Ca 0.09 -0.03 -0.42 0.00 0.66 0.00 0.00 57.16 57.45 1wf5 n GLU 115 Cb 0.52 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.92 1wf5 n GLU 115 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1wf5 n SER 116 N -3.65 4.38 0.00 4.31 3.41 -1.26 -4.78 113.62 116.02 1wf5 n SER 116 Ca 0.11 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1wf5 n SER 116 Cb 0.52 -1.68 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 1wf5 n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wf5 n GLY 117 N 4.53 0.29 3.76 5.00 0.00 -1.26 -5.08 105.19 112.43 1wf5 n GLY 117 Ca 0.50 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 1wf5 n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf5 s PRO 118 N -0.71 -0.31 0.21 1.61 0.04 -1.26 -5.10 135.00 129.49 1wf5 s PRO 118 Ca 0.00 -0.25 -0.06 0.00 0.04 0.00 0.00 61.00 60.73 1wf5 s PRO 118 Cb 0.00 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 1wf5 s PRO 118 CO 0.00 -3.07 0.26 0.45 0.04 0.00 0.00 177.00 174.68 1wf5 s SER 119 N -4.41 0.06 0.01 6.66 0.15 -1.26 -4.89 113.70 110.03 1wf5 s SER 119 Ca 0.73 -1.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.09 1wf5 s SER 119 Cb -0.07 0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 64.65 1wf5 s SER 119 CO 0.54 -0.95 0.29 -0.44 1.20 0.00 0.00 173.24 173.89 1wf5 s SER 120 N -3.10 6.53 0.00 5.45 0.01 -1.26 -5.24 113.70 116.10 1wf5 s SER 120 Ca 0.32 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.20 1wf5 s SER 120 Cb 0.04 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1wf5 s SER 120 CO 0.10 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.62