#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf5 s SER 2 N 0.00 0.76 0.21 1.61 0.01 -1.26 -5.16 113.70 109.86 1wf5 s SER 2 Ca 0.00 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.70 1wf5 s SER 2 Cb 0.00 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1wf5 s SER 2 CO 0.00 -0.23 0.10 -0.44 0.41 0.00 0.00 173.24 173.08 1wf5 s SER 3 N -1.61 0.60 0.94 2.44 0.01 -1.26 -5.15 113.70 109.67 1wf5 s SER 3 Ca -0.10 -1.35 -0.11 0.00 1.31 0.00 0.00 55.95 55.70 1wf5 s SER 3 Cb -0.09 0.28 0.12 0.00 0.21 0.00 0.00 66.02 66.53 1wf5 s SER 3 CO -0.00 -0.77 0.92 0.61 0.41 0.00 0.00 173.24 174.40 1wf5 n GLY 4 N -0.31 -0.92 3.51 3.44 0.00 -1.26 -5.03 105.19 104.62 1wf5 n GLY 4 Ca -0.00 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 1wf5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf5 s SER 5 N -2.44 3.93 -0.30 1.61 0.01 -1.26 -5.12 113.70 110.13 1wf5 s SER 5 Ca 0.64 -0.70 -0.08 0.00 1.31 0.00 0.00 55.95 57.12 1wf5 s SER 5 Cb -0.22 -0.53 0.18 0.00 0.21 0.00 0.00 66.02 65.66 1wf5 s SER 5 CO 0.61 0.11 0.86 -0.44 0.41 0.00 0.00 173.24 174.79 1wf5 s SER 6 N -2.79 -0.85 0.00 2.44 0.01 -1.26 -5.17 113.70 106.08 1wf5 s SER 6 Ca 0.23 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1wf5 s SER 6 Cb -0.08 1.70 0.00 0.00 0.21 0.00 0.00 66.02 67.85 1wf5 s SER 6 CO 0.13 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1wf5 n GLY 7 N 5.44 3.35 3.36 3.44 0.00 -1.26 -5.19 105.19 114.33 1wf5 n GLY 7 Ca -0.04 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 1wf5 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wf5 s ARG 8 N 1.12 1.41 0.80 1.61 1.70 -1.26 -5.16 118.95 119.17 1wf5 s ARG 8 Ca 0.00 -1.72 -0.10 0.00 -0.47 0.00 0.00 55.73 53.43 1wf5 s ARG 8 Cb 0.00 -0.68 0.11 0.00 -0.57 0.00 0.00 34.95 33.80 1wf5 s ARG 8 CO 0.00 -0.11 1.14 -1.12 -1.08 0.00 0.00 175.30 174.13 1wf5 s SER 9 N -3.34 4.27 0.05 -2.89 0.01 -1.26 -5.10 113.70 105.43 1wf5 s SER 9 Ca 0.30 0.46 -0.28 0.00 1.31 0.00 0.00 55.95 57.74 1wf5 s SER 9 Cb 0.06 -0.89 0.10 0.00 0.21 0.00 0.00 66.02 65.50 1wf5 s SER 9 CO 0.10 -1.99 1.19 0.00 0.41 0.00 0.00 173.24 172.95 1wf5 s ALA 10 N -3.50 -2.08 0.13 1.44 0.00 -1.26 -5.17 121.76 111.31 1wf5 s ALA 10 Ca 0.65 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.94 1wf5 s ALA 10 Cb -0.09 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1wf5 s ALA 10 CO 0.48 -1.08 0.09 -3.38 0.00 0.00 0.00 175.76 171.88 1wf5 s HIS 11 N -2.44 3.13 0.43 0.00 -3.43 -1.26 -5.01 115.29 106.71 1wf5 s HIS 11 Ca 0.18 0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 1wf5 s HIS 11 Cb 0.01 -1.55 0.00 0.00 -1.43 0.00 0.00 32.58 29.62 1wf5 s HIS 11 CO -0.01 0.52 0.00 1.28 -2.00 0.00 0.00 174.74 174.53 1wf5 n LEU 12 N 0.06 -0.81 -4.82 5.38 4.77 -1.26 -4.80 117.00 115.52 1wf5 n LEU 12 Ca -0.09 1.84 -0.35 0.00 -0.03 0.00 0.00 56.01 57.38 1wf5 n LEU 12 Cb 0.53 -4.57 -0.06 0.00 -2.33 0.00 0.00 43.42 36.99 1wf5 n LEU 12 CO 0.43 -3.40 0.42 -0.13 -1.33 0.00 0.00 177.39 173.38 1wf5 s ARG 13 N -2.85 4.18 -0.15 3.23 0.52 -1.26 -5.05 118.95 117.57 1wf5 s ARG 13 Ca 0.00 0.81 -0.15 0.00 -0.52 0.00 0.00 55.73 55.87 1wf5 s ARG 13 Cb 0.00 -2.76 -0.05 0.00 0.52 0.00 0.00 34.95 32.67 1wf5 s ARG 13 CO 0.00 0.33 0.35 0.54 0.02 0.00 0.00 175.30 176.54 1wf5 s VAL 14 N -1.65 5.27 -0.97 3.52 0.11 -1.26 -5.02 120.40 120.40 1wf5 s VAL 14 Ca 0.46 0.67 -0.20 0.00 -2.93 0.00 0.00 61.98 59.99 1wf5 s VAL 14 Cb -0.15 -3.69 0.11 0.00 -1.53 0.00 0.00 36.38 31.13 1wf5 s VAL 14 CO 0.20 0.37 1.22 -0.13 -3.33 0.00 0.00 175.10 173.44 1wf5 s ARG 15 N 0.49 3.62 0.17 1.54 0.52 -1.26 -4.46 118.95 119.57 1wf5 s ARG 15 Ca 0.19 -1.64 -0.09 0.00 -0.52 0.00 0.00 55.73 53.67 1wf5 s ARG 15 Cb -0.14 -5.04 -0.06 0.00 0.52 0.00 0.00 34.95 30.23 1wf5 s ARG 15 CO 0.06 -1.88 0.48 -1.14 0.02 0.00 0.00 175.30 172.83 1wf5 s GLN 16 N 3.21 3.77 0.38 3.54 2.00 -1.26 -4.92 119.66 126.38 1wf5 s GLN 16 Ca 0.37 0.20 -0.26 0.00 -2.00 0.00 0.00 55.36 53.66 1wf5 s GLN 16 Cb -0.03 -2.80 -0.09 0.00 0.80 0.00 0.00 33.01 30.88 1wf5 s GLN 16 CO -0.09 0.42 1.17 -0.51 -0.50 0.00 0.00 175.29 175.78 1wf5 s LEU 17 N -2.48 4.26 1.00 3.68 1.43 -1.26 -3.69 118.68 121.62 1wf5 s LEU 17 Ca 0.42 2.35 -0.15 0.00 -1.03 0.00 0.00 54.13 55.72 1wf5 s LEU 17 Cb -0.12 -3.94 0.19 0.00 0.03 0.00 0.00 46.19 42.34 1wf5 s LEU 17 CO 0.21 -0.58 1.18 -2.16 0.23 0.00 0.00 176.35 175.23 1wf5 s PRO 18 N -2.15 0.44 0.17 1.29 0.04 -1.26 -3.95 135.00 129.58 1wf5 s PRO 18 Ca 0.55 0.03 0.05 0.00 0.04 0.00 0.00 61.00 61.67 1wf5 s PRO 18 Cb -0.31 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1wf5 s PRO 18 CO 0.40 -2.62 0.13 -1.01 0.04 0.00 0.00 177.00 173.93 1wf5 s HIS 19 N -3.37 3.12 0.97 0.56 3.76 -1.15 -4.32 115.29 114.86 1wf5 s HIS 19 Ca 0.68 -0.04 -0.11 0.00 -0.15 0.00 0.00 55.06 55.44 1wf5 s HIS 19 Cb -0.11 -1.49 0.17 0.00 1.11 0.00 0.00 32.58 32.26 1wf5 s HIS 19 CO 0.54 0.52 1.09 0.00 -0.85 0.00 0.00 174.74 176.04 1wf5 s ALA 20 N -1.78 1.01 0.32 -1.40 0.00 -1.25 -4.40 121.76 114.26 1wf5 s ALA 20 Ca 0.31 0.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.18 1wf5 s ALA 20 Cb -0.10 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1wf5 s ALA 20 CO 0.23 -2.88 1.07 -1.25 0.00 0.00 0.00 175.76 172.94 1wf5 s PRO 21 N -4.69 4.46 0.57 0.00 0.04 -1.26 -4.56 135.00 129.56 1wf5 s PRO 21 Ca 0.66 1.68 0.09 0.00 0.04 0.00 0.00 61.00 63.46 1wf5 s PRO 21 Cb -0.22 -2.94 0.08 0.00 0.04 0.00 0.00 34.50 31.46 1wf5 s PRO 21 CO 0.59 0.09 0.72 -1.21 0.04 0.00 0.00 177.00 177.23 1wf5 s GLU 22 N -1.84 2.29 -1.39 4.56 2.02 -1.20 -4.54 118.70 118.60 1wf5 s GLU 22 Ca 0.49 -1.72 -0.09 0.00 0.02 0.00 0.00 54.97 53.68 1wf5 s GLU 22 Cb -0.28 -2.54 0.01 0.00 0.10 0.00 0.00 34.13 31.42 1wf5 s GLU 22 CO 0.35 -0.82 0.17 1.58 0.02 0.00 0.00 175.26 176.57 1wf5 n HIS 23 N -2.15 -1.23 -1.93 1.61 -0.00 -1.26 0.76 115.22 111.02 1wf5 n HIS 23 Ca 0.12 0.44 -0.39 0.00 0.46 0.00 0.00 57.72 58.35 1wf5 n HIS 23 Cb 0.62 -2.66 -0.03 0.00 -0.12 0.00 0.00 29.99 27.81 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 -4.55 2.30 -3.56 1.57 -0.04 -1.26 -3.83 135.00 125.63 1wf5 n PRO 24 Ca -0.26 -2.58 -0.37 0.00 -0.04 0.00 0.00 63.50 60.25 1wf5 n PRO 24 Cb 0.63 -3.38 -0.08 0.00 -0.04 0.00 0.00 33.50 30.63 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 6.03 5.31 -0.15 0.52 1.01 0.64 -4.18 120.40 129.58 1wf5 s VAL 25 Ca 0.57 0.43 0.02 0.00 0.00 0.00 0.00 61.98 63.00 1wf5 s VAL 25 Cb 0.07 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1wf5 s VAL 25 CO 0.07 0.35 -0.20 0.00 0.00 0.00 0.00 175.10 175.32 1wf5 s ALA 26 N 0.82 2.32 0.04 5.51 0.00 -1.26 -0.78 121.76 128.41 1wf5 s ALA 26 Ca 0.13 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1wf5 s ALA 26 Cb -0.13 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1wf5 s ALA 26 CO 0.04 -0.11 -0.09 0.95 0.00 0.00 0.00 175.76 176.55 1wf5 s THR 27 N 0.93 0.67 0.86 0.00 -4.23 -0.35 -4.86 115.64 108.68 1wf5 s THR 27 Ca -0.04 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.37 1wf5 s THR 27 Cb -0.15 -0.69 0.19 0.00 1.34 0.00 0.00 72.50 73.19 1wf5 s THR 27 CO -0.04 -0.24 0.42 0.18 -0.54 0.00 0.00 174.62 174.40 1wf5 n LEU 28 N 1.70 0.00 -0.00 4.79 4.77 -1.26 0.20 117.00 127.20 1wf5 n LEU 28 Ca -0.21 -0.43 0.10 0.00 -0.03 0.00 0.00 56.01 55.45 1wf5 n LEU 28 Cb 0.55 -0.63 -0.13 0.00 -2.33 0.00 0.00 43.42 40.89 1wf5 n LEU 28 CO 0.22 -2.26 -0.33 -1.20 -1.33 0.00 0.00 177.39 172.49 1wf5 n SER 29 N -2.43 0.58 -4.24 -1.43 7.64 -0.75 -3.45 113.62 109.53 1wf5 n SER 29 Ca 0.07 -0.55 -0.34 0.00 1.01 0.00 0.00 58.87 59.06 1wf5 n SER 29 Cb 0.29 1.38 -0.07 0.00 -1.01 0.00 0.00 64.21 64.80 1wf5 n SER 29 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wf5 n THR 30 N -1.83 -1.31 0.00 0.44 -2.24 -1.26 -4.22 114.28 103.85 1wf5 n THR 30 Ca 0.01 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1wf5 n THR 30 Cb 0.43 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 1wf5 n THR 30 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1wf5 n VAL 31 N -4.62 0.00 -2.52 2.28 3.14 -1.26 -5.15 118.33 110.21 1wf5 n VAL 31 Ca -0.28 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 60.86 1wf5 n VAL 31 Cb 0.65 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.47 1wf5 n VAL 31 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1wf5 s GLU 32 N 0.00 2.65 0.00 1.45 2.02 -1.26 -5.09 118.70 118.47 1wf5 s GLU 32 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1wf5 s GLU 32 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.88 1wf5 s GLU 32 CO 0.00 -0.77 0.00 0.54 0.02 0.00 0.00 175.26 175.05 1wf5 n ARG 33 N -2.52 2.86 -0.40 1.61 1.74 -1.26 -4.35 116.66 114.35 1wf5 n ARG 33 Ca 0.06 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.03 1wf5 n ARG 33 Cb 0.59 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.01 1wf5 n ARG 33 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wf5 n ARG 34 N 0.00 1.07 -5.11 5.56 3.00 -1.26 -4.76 116.66 115.16 1wf5 n ARG 34 Ca 0.00 -0.90 -0.32 0.00 -0.01 0.00 0.00 57.85 56.62 1wf5 n ARG 34 Cb 0.00 -2.14 -0.16 0.00 0.00 0.00 0.00 32.46 30.16 1wf5 n ARG 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wf5 s ALA 35 N 3.76 2.32 -0.07 7.54 0.00 -1.26 -2.71 121.76 131.35 1wf5 s ALA 35 Ca 0.22 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1wf5 s ALA 35 Cb 0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1wf5 s ALA 35 CO -0.02 0.37 -0.19 0.42 0.00 0.00 0.00 175.76 176.34 1wf5 s ILE 36 N -0.02 2.55 -0.42 0.00 1.01 -0.86 -1.81 121.20 121.66 1wf5 s ILE 36 Ca -0.07 -0.89 -0.20 0.00 0.00 0.00 0.00 60.65 59.49 1wf5 s ILE 36 Cb -0.15 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.36 1wf5 s ILE 36 CO 0.05 0.57 0.62 0.20 0.00 0.00 0.00 174.94 176.38 1wf5 s ASN 37 N -0.24 6.33 -0.03 3.58 0.01 0.54 -1.20 114.94 123.93 1wf5 s ASN 37 Ca -0.00 -0.26 -0.17 0.00 -0.71 0.00 0.00 52.86 51.71 1wf5 s ASN 37 Cb -0.13 -2.31 -0.05 0.00 0.41 0.00 0.00 41.25 39.16 1wf5 s ASN 37 CO 0.03 -0.72 0.48 -0.22 -1.51 0.00 0.00 177.10 175.16 1wf5 s LEU 38 N 2.75 4.41 -0.04 0.60 1.98 0.18 -1.20 118.68 127.35 1wf5 s LEU 38 Ca 0.22 0.99 -0.01 0.00 -2.89 0.00 0.00 54.13 52.43 1wf5 s LEU 38 Cb -0.14 -2.72 0.03 0.00 0.66 0.00 0.00 46.19 44.02 1wf5 s LEU 38 CO 0.18 0.18 0.06 0.42 -1.89 0.00 0.00 176.35 175.29 1wf5 s THR 39 N -0.38 -0.10 0.33 3.68 -4.23 0.04 -1.42 115.64 113.57 1wf5 s THR 39 Ca 0.26 0.35 0.04 0.00 -1.18 0.00 0.00 61.69 61.16 1wf5 s THR 39 Cb -0.17 -0.14 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 1wf5 s THR 39 CO 0.14 0.14 0.17 -1.66 -0.54 0.00 0.00 174.62 172.87 1wf5 s TRP 40 N 1.78 1.68 0.16 3.99 -2.14 0.13 -0.26 118.94 124.28 1wf5 s TRP 40 Ca -0.00 -1.40 0.04 0.00 2.66 0.00 0.00 56.10 57.40 1wf5 s TRP 40 Cb -0.12 -0.91 -0.04 0.00 -3.10 0.00 0.00 33.47 29.30 1wf5 s TRP 40 CO -0.03 -0.52 0.19 0.99 -2.66 0.00 0.00 176.95 174.91 1wf5 s THR 41 N -3.48 4.79 -0.39 0.66 2.01 0.23 -4.73 115.64 114.74 1wf5 s THR 41 Ca 0.34 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 1wf5 s THR 41 Cb 0.04 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 69.12 1wf5 s THR 41 CO 0.19 -0.10 1.09 -0.75 -0.69 0.00 0.00 174.62 174.36 1wf5 s LYS 42 N -3.15 3.90 1.04 4.92 2.36 -1.26 -3.25 119.74 124.30 1wf5 s LYS 42 Ca 0.32 0.81 -0.16 0.00 -2.55 0.00 0.00 55.97 54.39 1wf5 s LYS 42 Cb -0.10 -3.82 0.22 0.00 -1.05 0.00 0.00 37.83 33.08 1wf5 s LYS 42 CO 0.25 -1.12 1.20 -1.25 1.55 0.00 0.00 175.35 175.98 1wf5 s PRO 43 N 3.99 0.08 -0.10 4.03 0.04 -1.26 -4.94 135.00 136.84 1wf5 s PRO 43 Ca 0.46 -0.11 -0.22 0.00 0.04 0.00 0.00 61.00 61.17 1wf5 s PRO 43 Cb -0.10 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1wf5 s PRO 43 CO 0.23 -2.84 0.64 0.12 0.04 0.00 0.00 177.00 175.19 1wf5 s PHE 44 N -3.42 3.52 0.10 0.56 2.19 -1.26 -4.93 117.98 114.74 1wf5 s PHE 44 Ca 0.70 1.11 -0.30 0.00 0.33 0.00 0.00 56.93 58.78 1wf5 s PHE 44 Cb -0.09 -2.75 -0.06 0.00 -1.31 0.00 0.00 43.02 38.81 1wf5 s PHE 44 CO 0.54 0.05 1.02 0.16 1.83 0.00 0.00 175.22 178.82 1wf5 s ASP 45 N 0.84 7.38 0.25 6.13 -4.77 -1.26 -2.94 116.67 122.30 1wf5 s ASP 45 Ca 0.33 1.86 -0.03 0.00 -3.30 0.00 0.00 52.55 51.41 1wf5 s ASP 45 Cb -0.17 -2.59 0.50 0.00 -1.09 0.00 0.00 42.92 39.58 1wf5 s ASP 45 CO 0.15 -0.18 1.71 1.23 0.70 0.00 0.00 175.17 178.78 1wf5 h GLY 46 N 5.83 1.16 0.00 2.12 0.00 -1.68 -3.43 103.07 107.06 1wf5 h GLY 46 Ca -0.43 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1wf5 h GLY 46 CO 0.73 -0.16 0.00 -2.01 0.00 0.00 0.00 176.54 175.10 1wf5 n ASN 47 N -5.07 0.00 -4.93 0.19 5.15 -1.25 -4.42 115.26 104.93 1wf5 n ASN 47 Ca 0.15 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.88 1wf5 n ASN 47 Cb 0.47 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.70 1wf5 n ASN 47 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wf5 s SER 48 N -0.97 6.33 0.44 1.20 0.15 -1.26 -5.03 113.70 114.56 1wf5 s SER 48 Ca 0.00 0.55 -0.22 0.00 0.70 0.00 0.00 55.95 56.98 1wf5 s SER 48 Cb 0.00 -2.07 -0.09 0.00 -1.71 0.00 0.00 66.02 62.15 1wf5 s SER 48 CO 0.00 -0.27 1.05 -2.16 1.20 0.00 0.00 173.24 173.05 1wf5 s PRO 49 N -4.09 3.98 0.51 5.44 0.04 -1.26 -4.80 135.00 134.82 1wf5 s PRO 49 Ca 0.41 1.44 -0.23 0.00 0.04 0.00 0.00 61.00 62.67 1wf5 s PRO 49 Cb -0.10 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1wf5 s PRO 49 CO 0.35 -0.29 1.31 1.28 0.04 0.00 0.00 177.00 179.69 1wf5 n LEU 50 N -0.52 4.96 -0.10 -3.56 4.77 -1.26 -4.19 117.00 117.10 1wf5 n LEU 50 Ca 0.07 1.01 -0.15 0.00 -0.03 0.00 0.00 56.01 56.91 1wf5 n LEU 50 Cb 0.51 -1.55 -0.09 0.00 -2.33 0.00 0.00 43.42 39.97 1wf5 n LEU 50 CO 0.42 -0.66 -1.15 -0.38 -1.33 0.00 0.00 177.39 174.29 1wf5 n ILE 51 N -0.81 1.12 -3.79 -0.08 5.41 0.20 -4.83 119.36 116.58 1wf5 n ILE 51 Ca 0.09 -0.40 -0.02 0.00 1.00 0.00 0.00 62.75 63.42 1wf5 n ILE 51 Cb 0.43 -1.30 -0.00 0.00 -0.71 0.00 0.00 39.64 38.06 1wf5 n ILE 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wf5 s ARG 52 N -2.39 1.11 -0.03 0.38 1.70 -0.40 -4.58 118.95 114.74 1wf5 s ARG 52 Ca -0.27 -0.66 0.04 0.00 -0.47 0.00 0.00 55.73 54.38 1wf5 s ARG 52 Cb 0.08 0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1wf5 s ARG 52 CO 0.43 -0.51 -0.15 0.71 -1.08 0.00 0.00 175.30 174.71 1wf5 s TYR 53 N -2.73 1.45 -0.47 5.89 1.51 -1.13 -1.55 117.35 120.32 1wf5 s TYR 53 Ca 0.16 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.74 1wf5 s TYR 53 Cb -0.01 -0.98 0.11 0.00 -0.11 0.00 0.00 41.96 40.97 1wf5 s TYR 53 CO 0.02 -0.12 0.35 0.42 -1.11 0.00 0.00 175.55 175.11 1wf5 s ILE 54 N -0.00 4.42 -0.11 2.71 1.01 -1.20 -3.05 121.20 124.97 1wf5 s ILE 54 Ca -0.02 -1.59 -0.21 0.00 0.00 0.00 0.00 60.65 58.83 1wf5 s ILE 54 Cb -0.10 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1wf5 s ILE 54 CO 0.01 -0.70 0.60 -0.22 0.00 0.00 0.00 174.94 174.63 1wf5 s LEU 55 N 1.43 4.27 -0.15 2.97 2.96 -0.55 -2.27 118.68 127.34 1wf5 s LEU 55 Ca 0.04 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 1wf5 s LEU 55 Cb -0.26 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.55 1wf5 s LEU 55 CO 0.01 -0.11 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.12 1wf5 s GLU 56 N 0.97 2.92 0.04 1.98 2.02 -0.40 -1.21 118.70 125.01 1wf5 s GLU 56 Ca 0.31 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.51 1wf5 s GLU 56 Cb -0.16 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1wf5 s GLU 56 CO 0.14 -0.07 0.05 1.41 0.02 0.00 0.00 175.26 176.80 1wf5 s MET 57 N 0.96 2.85 -0.25 1.61 -2.45 -1.00 -1.37 119.30 119.65 1wf5 s MET 57 Ca -0.04 -0.64 0.02 0.00 -1.25 0.00 0.00 55.69 53.78 1wf5 s MET 57 Cb -0.15 -2.71 0.06 0.00 1.25 0.00 0.00 34.83 33.28 1wf5 s MET 57 CO -0.05 0.60 -0.09 0.45 1.05 0.00 0.00 175.02 176.98 1wf5 s SER 58 N -2.01 4.20 -0.93 1.11 0.15 -0.91 -1.51 113.70 113.80 1wf5 s SER 58 Ca 0.25 -1.31 -0.24 0.00 0.70 0.00 0.00 55.95 55.35 1wf5 s SER 58 Cb -0.12 -1.40 0.02 0.00 -1.71 0.00 0.00 66.02 62.82 1wf5 s SER 58 CO 0.17 -0.21 1.54 -0.70 1.20 0.00 0.00 173.24 175.24 1wf5 s GLU 59 N 1.22 3.26 2.80 5.44 2.12 -1.26 -1.86 118.70 130.42 1wf5 s GLU 59 Ca -0.08 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.54 1wf5 s GLU 59 Cb -0.20 -5.05 0.00 0.00 0.26 0.00 0.00 34.13 29.14 1wf5 s GLU 59 CO -0.05 -2.46 0.00 0.09 -0.54 0.00 0.00 175.26 172.29 1wf5 n ASN 60 N 10.20 0.00 -1.75 -1.70 3.02 -0.97 -0.02 115.26 124.05 1wf5 n ASN 60 Ca 0.29 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.67 1wf5 n ASN 60 Cb 0.50 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.82 1wf5 n ASN 60 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wf5 n ASN 61 N 5.25 4.07 -4.89 6.41 3.02 -1.26 -4.99 115.26 122.87 1wf5 n ASN 61 Ca 0.00 -3.75 -0.32 0.00 -0.03 0.00 0.00 54.58 50.47 1wf5 n ASN 61 Cb 0.00 -0.70 -0.05 0.00 -0.61 0.00 0.00 39.78 38.42 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 -3.42 3.80 0.39 5.41 0.00 0.97 -5.07 121.76 123.83 1wf5 s ALA 62 Ca 0.52 -0.55 -0.25 0.00 0.00 0.00 0.00 51.96 51.68 1wf5 s ALA 62 Cb 0.44 -2.12 -0.09 0.00 0.00 0.00 0.00 23.12 21.35 1wf5 s ALA 62 CO 0.03 0.66 1.06 -1.25 0.00 0.00 0.00 175.76 176.25 1wf5 s PRO 63 N -2.38 4.21 -0.51 0.00 0.04 -1.26 -4.08 135.00 131.02 1wf5 s PRO 63 Ca 0.37 1.55 -0.39 0.00 0.04 0.00 0.00 61.00 62.57 1wf5 s PRO 63 Cb -0.13 -2.61 -0.17 0.00 0.04 0.00 0.00 34.50 31.63 1wf5 s PRO 63 CO 0.22 -0.11 2.22 0.91 0.04 0.00 0.00 177.00 180.29 1wf5 n TRP 64 N 0.07 1.24 -3.79 0.56 7.02 -1.26 -4.72 117.44 116.55 1wf5 n TRP 64 Ca 0.04 0.56 -0.37 0.00 -1.02 0.00 0.00 57.50 56.71 1wf5 n TRP 64 Cb 0.49 -2.38 -0.13 0.00 -2.42 0.00 0.00 31.31 26.87 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 6.91 3.87 -0.55 -0.99 -1.32 -0.57 -4.89 115.64 118.10 1wf5 s THR 65 Ca 1.18 -0.66 -0.27 0.00 -1.21 0.00 0.00 61.69 60.73 1wf5 s THR 65 Cb -1.24 -2.96 -0.09 0.00 -1.51 0.00 0.00 72.50 66.70 1wf5 s THR 65 CO 0.58 0.14 2.44 0.52 -2.21 0.00 0.00 174.62 176.09 1wf5 n VAL 66 N 4.85 -0.04 -0.06 5.08 0.31 -1.26 -2.37 118.33 124.84 1wf5 n VAL 66 Ca -0.15 -0.66 -0.05 0.00 -0.01 0.00 0.00 64.34 63.48 1wf5 n VAL 66 Cb 0.48 -2.43 -0.04 0.00 -0.91 0.00 0.00 33.84 30.95 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 18.10 0.00 -8.08 7.52 5.85 -1.53 -3.44 115.31 133.74 1wf5 h LEU 67 Ca -0.22 -0.28 -0.68 0.00 0.84 0.00 0.00 57.88 57.54 1wf5 h LEU 67 Cb 1.28 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 41.98 1wf5 h LEU 67 CO 1.18 0.68 -0.70 -0.76 -0.34 0.00 0.00 178.44 178.50 1wf5 s LEU 68 N -8.42 3.77 -0.02 2.25 1.43 -1.16 -5.00 118.68 111.54 1wf5 s LEU 68 Ca -0.07 -1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 51.85 1wf5 s LEU 68 Cb -0.00 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 1wf5 s LEU 68 CO 0.22 -0.23 0.09 0.00 0.23 0.00 0.00 176.35 176.66 1wf5 h ALA 69 N 8.02 -0.09 -1.88 4.21 0.00 -1.85 -1.45 119.26 126.21 1wf5 h ALA 69 Ca -0.24 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.05 1wf5 h ALA 69 Cb 1.07 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 1wf5 h ALA 69 CO 0.54 -0.09 0.50 -1.12 0.00 0.00 0.00 179.25 179.08 1wf5 s SER 70 N -3.44 6.36 0.18 0.00 0.01 -1.26 -3.89 113.70 111.66 1wf5 s SER 70 Ca -0.00 -0.30 0.11 0.00 1.31 0.00 0.00 55.95 57.07 1wf5 s SER 70 Cb 0.00 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1wf5 s SER 70 CO 0.01 -1.13 -0.24 -0.69 0.41 0.00 0.00 173.24 171.59 1wf5 s VAL 71 N 3.73 2.31 0.07 3.43 1.01 -1.17 -4.89 120.40 124.88 1wf5 s VAL 71 Ca 0.30 -1.97 -0.31 0.00 0.00 0.00 0.00 61.98 60.00 1wf5 s VAL 71 Cb -0.13 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 34.10 1wf5 s VAL 71 CO 0.20 -0.08 1.42 -1.81 0.00 0.00 0.00 175.10 174.83 1wf5 s ASP 72 N -2.54 6.81 0.45 3.32 1.11 -1.26 -2.85 116.67 121.71 1wf5 s ASP 72 Ca 0.19 2.26 0.25 0.00 0.18 0.00 0.00 52.55 55.43 1wf5 s ASP 72 Cb -0.08 -2.57 0.74 0.00 1.07 0.00 0.00 42.92 42.08 1wf5 s ASP 72 CO 0.09 -0.70 1.75 1.55 1.18 0.00 0.00 175.17 179.04 1wf5 h PRO 73 N 7.35 0.00 -0.38 8.23 0.13 -1.88 -2.59 132.00 142.86 1wf5 h PRO 73 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1wf5 h PRO 73 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wf5 h PRO 73 CO 0.89 0.13 0.00 1.63 -0.23 0.00 0.00 178.00 180.42 1wf5 n LYS 74 N -3.19 1.83 -4.85 0.86 5.02 -1.26 -4.80 118.16 111.77 1wf5 n LYS 74 Ca 0.02 -1.12 -0.33 0.00 -2.02 0.00 0.00 58.31 54.86 1wf5 n LYS 74 Cb 0.47 -1.32 -0.13 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.61 2.68 -0.58 7.82 0.00 -0.98 -4.99 121.76 124.10 1wf5 s ALA 75 Ca 0.20 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.26 1wf5 s ALA 75 Cb 0.11 -1.03 0.09 0.00 0.00 0.00 0.00 23.12 22.29 1wf5 s ALA 75 CO 0.13 0.50 0.87 0.25 0.00 0.00 0.00 175.76 177.50 1wf5 n THR 76 N 2.53 0.43 -3.85 0.00 -2.24 -1.26 -4.92 114.28 104.97 1wf5 n THR 76 Ca -0.17 -0.72 -0.12 0.00 -2.27 0.00 0.00 64.05 60.77 1wf5 n THR 76 Cb 0.52 0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.69 -0.04 0.02 3.42 1.04 -1.25 0.22 113.70 116.42 1wf5 s SER 77 Ca 0.08 -0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.35 1wf5 s SER 77 Cb 0.05 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1wf5 s SER 77 CO 0.07 -0.33 0.18 0.54 0.98 0.00 0.00 173.24 174.68 1wf5 s VAL 78 N -1.13 0.10 -0.15 5.02 0.11 -0.50 -4.94 120.40 118.90 1wf5 s VAL 78 Ca -0.12 -0.79 -0.06 0.00 -2.93 0.00 0.00 61.98 58.07 1wf5 s VAL 78 Cb -0.06 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1wf5 s VAL 78 CO 0.02 -0.44 0.06 -0.89 -3.33 0.00 0.00 175.10 170.52 1wf5 s THR 79 N -2.01 4.76 -0.44 5.04 2.01 -1.26 0.47 115.64 124.21 1wf5 s THR 79 Ca -0.10 -0.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.77 1wf5 s THR 79 Cb -0.04 -3.10 0.11 0.00 0.01 0.00 0.00 72.50 69.48 1wf5 s THR 79 CO -0.01 0.52 0.29 -0.69 -0.69 0.00 0.00 174.62 174.04 1wf5 s VAL 80 N -0.11 4.01 0.41 3.82 1.01 -0.35 -4.91 120.40 124.29 1wf5 s VAL 80 Ca 0.07 -1.75 0.07 0.00 0.00 0.00 0.00 61.98 60.37 1wf5 s VAL 80 Cb -0.12 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1wf5 s VAL 80 CO 0.01 -0.69 0.57 -0.54 0.00 0.00 0.00 175.10 174.45 1wf5 s LYS 81 N 1.33 2.87 -0.23 2.72 1.02 -1.26 -2.03 119.74 124.16 1wf5 s LYS 81 Ca 0.05 -1.14 -0.00 0.00 0.02 0.00 0.00 55.97 54.90 1wf5 s LYS 81 Cb -0.25 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 1wf5 s LYS 81 CO -0.01 -0.24 0.05 0.41 -0.92 0.00 0.00 175.35 174.64 1wf5 n GLY 82 N -1.85 0.39 3.94 -3.33 0.00 -1.22 -4.99 105.19 98.12 1wf5 n GLY 82 Ca 0.06 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.12 3.94 -0.11 0.99 1.02 -1.10 -5.09 118.68 117.20 1wf5 s LEU 83 Ca 0.02 0.45 -0.06 0.00 0.02 0.00 0.00 54.13 54.57 1wf5 s LEU 83 Cb -0.01 -3.32 -0.04 0.00 0.02 0.00 0.00 46.19 42.84 1wf5 s LEU 83 CO 0.03 -0.37 0.09 -0.69 0.02 0.00 0.00 176.35 175.43 1wf5 s VAL 84 N -2.38 5.12 0.33 -1.59 1.01 -1.26 -4.64 120.40 116.99 1wf5 s VAL 84 Ca 0.42 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 1wf5 s VAL 84 Cb -0.10 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 1wf5 s VAL 84 CO 0.37 0.60 1.07 -2.16 0.00 0.00 0.00 175.10 174.98 1wf5 s PRO 85 N -0.89 4.46 -0.64 2.72 0.04 -1.26 -3.68 135.00 135.76 1wf5 s PRO 85 Ca 0.14 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 1wf5 s PRO 85 Cb -0.12 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1wf5 s PRO 85 CO 0.03 0.09 0.54 0.00 0.04 0.00 0.00 177.00 177.70 1wf5 n ALA 86 N 0.70 -0.97 -3.37 8.56 0.00 -0.24 -4.66 120.51 120.53 1wf5 n ALA 86 Ca 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1wf5 n ALA 86 Cb 0.47 -1.81 -0.08 0.00 0.00 0.00 0.00 19.45 18.02 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 -4.90 0.70 0.36 0.00 0.52 -1.23 -4.96 118.95 109.45 1wf5 s ARG 87 Ca 0.06 0.35 -0.23 0.00 -0.52 0.00 0.00 55.73 55.39 1wf5 s ARG 87 Cb -0.03 0.33 -0.10 0.00 0.52 0.00 0.00 34.95 35.67 1wf5 s ARG 87 CO 0.38 -0.15 0.92 -1.12 0.02 0.00 0.00 175.30 175.34 1wf5 s SER 88 N -0.48 7.13 -0.09 0.23 0.01 -1.26 -0.59 113.70 118.64 1wf5 s SER 88 Ca -0.06 1.72 -0.04 0.00 1.31 0.00 0.00 55.95 58.87 1wf5 s SER 88 Cb -0.03 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.70 1wf5 s SER 88 CO 0.04 -0.18 0.21 -0.31 0.41 0.00 0.00 173.24 173.40 1wf5 s TYR 89 N -1.86 -0.28 0.23 2.43 2.02 0.50 -2.28 117.35 118.11 1wf5 s TYR 89 Ca 0.55 0.70 0.08 0.00 -0.37 0.00 0.00 57.07 58.02 1wf5 s TYR 89 Cb -0.14 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.36 1wf5 s TYR 89 CO 0.19 -0.23 0.09 -0.65 -1.57 0.00 0.00 175.55 173.39 1wf5 s GLN 90 N 1.41 2.64 -0.03 -0.62 -0.21 -0.78 -2.89 119.66 119.19 1wf5 s GLN 90 Ca -0.07 -1.15 -0.02 0.00 0.02 0.00 0.00 55.36 54.14 1wf5 s GLN 90 Cb -0.11 -2.42 0.02 0.00 1.00 0.00 0.00 33.01 31.50 1wf5 s GLN 90 CO -0.08 0.41 0.07 -0.06 -2.12 0.00 0.00 175.29 173.52 1wf5 s PHE 91 N -2.07 -0.07 -0.29 0.91 0.08 -1.26 -2.14 117.98 113.14 1wf5 s PHE 91 Ca 0.31 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.59 1wf5 s PHE 91 Cb -0.08 -0.04 0.19 0.00 -0.57 0.00 0.00 43.02 42.52 1wf5 s PHE 91 CO 0.22 -0.07 0.57 -0.98 -0.10 0.00 0.00 175.22 174.86 1wf5 s ARG 92 N 0.41 0.54 0.25 0.44 1.70 -0.47 -2.36 118.95 119.46 1wf5 s ARG 92 Ca -0.03 0.81 0.07 0.00 -0.47 0.00 0.00 55.73 56.11 1wf5 s ARG 92 Cb -0.05 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 1wf5 s ARG 92 CO -0.02 -0.75 0.20 -0.48 -1.08 0.00 0.00 175.30 173.18 1wf5 s LEU 93 N 2.80 3.83 0.41 -1.89 2.34 -1.26 -1.28 118.68 123.64 1wf5 s LEU 93 Ca 0.17 -0.24 0.04 0.00 0.06 0.00 0.00 54.13 54.16 1wf5 s LEU 93 Cb -0.14 -2.37 -0.04 0.00 -0.56 0.00 0.00 46.19 43.08 1wf5 s LEU 93 CO -0.22 -0.04 0.06 0.00 -1.06 0.00 0.00 176.35 175.08 1wf5 s ALA 95 N -3.07 3.19 -0.07 0.00 0.00 -1.21 -3.27 121.76 117.34 1wf5 s ALA 95 Ca 0.26 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1wf5 s ALA 95 Cb 0.06 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.37 1wf5 s ALA 95 CO 0.13 0.03 -0.14 0.08 0.00 0.00 0.00 175.76 175.85 1wf5 s VAL 96 N 0.67 1.29 0.16 0.00 1.01 -0.59 -0.48 120.40 122.46 1wf5 s VAL 96 Ca 0.01 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1wf5 s VAL 96 Cb -0.14 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1wf5 s VAL 96 CO 0.02 0.39 0.09 -0.46 0.00 0.00 0.00 175.10 175.14 1wf5 n ASN 97 N 3.72 0.38 -0.22 3.32 0.23 0.31 0.58 115.26 123.58 1wf5 n ASN 97 Ca -0.22 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 51.88 1wf5 n ASN 97 Cb 0.52 0.59 0.12 0.00 -2.08 0.00 0.00 39.78 38.93 1wf5 n ASN 97 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1wf5 h ASP 98 N 0.80 0.39 -0.80 0.53 3.58 -1.92 0.17 116.42 119.16 1wf5 h ASP 98 Ca -0.12 0.06 0.12 0.00 0.42 0.00 0.00 57.03 57.51 1wf5 h ASP 98 Cb 0.53 -0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.49 1wf5 h ASP 98 CO 0.18 0.23 0.42 -0.37 -2.88 0.00 0.00 179.24 176.83 1wf5 h VAL 99 N 0.54 0.82 0.00 2.25 -1.51 -1.91 -3.48 116.25 112.96 1wf5 h VAL 99 Ca 0.32 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 1wf5 h VAL 99 Cb 0.34 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.59 1wf5 h VAL 99 CO -0.26 0.12 0.00 0.61 -1.23 0.00 0.00 177.57 176.81 1wf5 n GLY 100 N -1.32 -0.12 3.54 5.19 0.00 0.05 -4.99 105.19 107.53 1wf5 n GLY 100 Ca 0.14 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 2.49 0.00 1.61 2.20 -1.26 0.11 119.74 122.89 1wf5 s LYS 101 Ca 0.00 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1wf5 s LYS 101 Cb 0.00 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1wf5 s LYS 101 CO 0.00 0.61 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 1wf5 n GLY 102 N 1.87 0.77 3.19 5.54 0.00 0.37 -4.84 105.19 112.09 1wf5 n GLY 102 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 1.22 1.12 0.24 1.61 -2.07 -1.26 -4.94 119.66 115.58 1wf5 s GLN 103 Ca 0.00 -1.57 0.04 0.00 -1.82 0.00 0.00 55.36 52.01 1wf5 s GLN 103 Cb 0.00 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.13 1wf5 s GLN 103 CO 0.00 -0.34 0.37 -0.06 -1.32 0.00 0.00 175.29 173.93 1wf5 s PHE 104 N -4.10 3.46 0.58 9.60 0.40 -1.26 -3.29 117.98 123.36 1wf5 s PHE 104 Ca 0.34 0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.55 1wf5 s PHE 104 Cb 0.07 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.95 1wf5 s PHE 104 CO 0.09 0.43 1.01 -1.54 0.70 0.00 0.00 175.22 175.91 1wf5 s SER 105 N -3.90 6.31 0.97 1.36 1.04 -0.16 -4.81 113.70 114.50 1wf5 s SER 105 Ca 0.34 1.53 -0.11 0.00 0.48 0.00 0.00 55.95 58.19 1wf5 s SER 105 Cb -0.09 -2.49 0.15 0.00 0.10 0.00 0.00 66.02 63.68 1wf5 s SER 105 CO 0.29 -0.81 0.95 2.29 0.98 0.00 0.00 173.24 176.94 1wf5 n LYS 106 N -2.20 -0.77 -1.67 4.02 -0.00 -1.26 -4.60 118.16 111.68 1wf5 n LYS 106 Ca 0.07 -0.17 -0.37 0.00 -0.00 0.00 0.00 58.31 57.83 1wf5 n LYS 106 Cb 0.54 -2.22 -0.03 0.00 -0.00 0.00 0.00 35.03 33.31 1wf5 n LYS 106 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1wf5 s ASP 107 N -2.46 4.73 0.56 -5.58 1.47 -1.26 -4.66 116.67 109.47 1wf5 s ASP 107 Ca 0.65 1.02 -0.18 0.00 1.18 0.00 0.00 52.55 55.22 1wf5 s ASP 107 Cb -0.23 -2.51 -0.13 0.00 -0.34 0.00 0.00 42.92 39.71 1wf5 s ASP 107 CO 0.61 -2.67 -0.01 0.35 0.68 0.00 0.00 175.17 174.13 1wf5 n THR 108 N 7.81 0.54 -1.36 2.11 -2.24 -1.00 -4.53 114.28 115.61 1wf5 n THR 108 Ca 0.33 -0.49 -0.55 0.00 -2.27 0.00 0.00 64.05 61.06 1wf5 n THR 108 Cb 0.53 -0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.50 1wf5 n THR 108 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1wf5 n GLU 109 N 1.15 0.00 -1.28 -0.78 2.13 -1.26 -4.40 120.64 116.20 1wf5 n GLU 109 Ca 0.08 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.59 1wf5 n GLU 109 Cb 0.48 -1.24 -0.14 0.00 0.27 0.00 0.00 31.44 30.81 1wf5 n GLU 109 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1wf5 n ARG 110 N 3.83 0.00 -3.44 5.31 0.63 -1.26 -4.80 116.66 116.93 1wf5 n ARG 110 Ca 0.29 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.85 1wf5 n ARG 110 Cb -0.05 -1.18 -0.06 0.00 0.45 0.00 0.00 32.46 31.62 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 5.92 5.12 0.01 5.15 1.01 -1.14 -4.95 120.40 131.52 1wf5 s VAL 111 Ca 1.15 0.83 0.06 0.00 0.00 0.00 0.00 61.98 64.02 1wf5 s VAL 111 Cb -0.99 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 31.64 1wf5 s VAL 111 CO 0.43 0.47 -0.18 -0.55 0.00 0.00 0.00 175.10 175.27 1wf5 s SER 112 N -0.27 2.15 0.43 3.32 0.15 -1.26 0.19 113.70 118.40 1wf5 s SER 112 Ca 0.23 -0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.40 1wf5 s SER 112 Cb -0.16 -0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 63.88 1wf5 s SER 112 CO 0.11 0.19 0.79 -0.22 1.20 0.00 0.00 173.24 175.30 1wf5 s LEU 113 N -0.69 3.76 0.54 3.45 2.96 0.24 -4.93 118.68 124.01 1wf5 s LEU 113 Ca 0.06 1.10 -0.18 0.00 -0.22 0.00 0.00 54.13 54.90 1wf5 s LEU 113 Cb -0.07 -4.01 -0.06 0.00 0.50 0.00 0.00 46.19 42.55 1wf5 s LEU 113 CO 0.00 -0.46 1.04 -2.16 -1.32 0.00 0.00 176.35 173.45 1wf5 s PRO 114 N -4.11 3.59 0.90 0.98 0.04 -1.26 -1.85 135.00 133.28 1wf5 s PRO 114 Ca 0.51 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 1wf5 s PRO 114 Cb -0.10 -2.07 0.13 0.00 0.04 0.00 0.00 34.50 32.50 1wf5 s PRO 114 CO 0.35 -0.60 1.09 -2.00 0.04 0.00 0.00 177.00 175.89 1wf5 s GLU 115 N -3.68 1.21 -0.48 4.56 2.12 -1.26 -1.07 118.70 120.08 1wf5 s GLU 115 Ca 0.65 0.97 -0.10 0.00 0.36 0.00 0.00 54.97 56.86 1wf5 s GLU 115 Cb -0.16 -1.79 0.12 0.00 0.26 0.00 0.00 34.13 32.56 1wf5 s GLU 115 CO 0.29 -2.32 0.36 -1.54 -0.54 0.00 0.00 175.26 171.51 1wf5 s SER 116 N -3.25 5.74 0.00 -1.70 1.04 -1.26 -4.77 113.70 109.50 1wf5 s SER 116 Ca 0.64 -1.93 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1wf5 s SER 116 Cb -0.19 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1wf5 s SER 116 CO 0.58 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1wf5 n GLY 117 N 4.90 0.11 3.62 7.32 0.00 -1.26 -5.11 105.19 114.77 1wf5 n GLY 117 Ca -0.08 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 3.79 0.53 1.61 0.04 -1.26 -4.71 135.00 132.99 1wf5 s PRO 118 Ca 0.00 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1wf5 s PRO 118 Cb 0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1wf5 s PRO 118 CO 0.00 -1.29 0.00 0.43 0.04 0.00 0.00 177.00 176.18 1wf5 n SER 119 N 8.11 -8.36 -4.76 6.66 7.64 -1.26 -4.82 113.62 116.83 1wf5 n SER 119 Ca 0.16 1.41 -0.41 0.00 1.01 0.00 0.00 58.87 61.04 1wf5 n SER 119 Cb 0.47 -4.75 -0.02 0.00 -1.01 0.00 0.00 64.21 58.90 1wf5 n SER 119 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wf5 s SER 120 N -4.03 6.73 0.00 6.43 0.01 -1.26 -5.07 113.70 116.51 1wf5 s SER 120 Ca 0.00 2.69 0.00 0.00 1.31 0.00 0.00 55.95 59.95 1wf5 s SER 120 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1wf5 s SER 120 CO 0.00 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.67