#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfn s SER 2 N 0.00 1.22 0.17 1.61 0.01 -1.26 -4.93 113.70 110.52 1wfn s SER 2 Ca 0.00 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 1wfn s SER 2 Cb 0.00 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 1wfn s SER 2 CO 0.00 -0.13 0.10 -0.55 0.41 0.00 0.00 173.24 173.07 1wfn s SER 3 N -1.56 0.24 0.50 2.44 0.15 -1.26 -4.18 113.70 110.03 1wfn s SER 3 Ca -0.06 -1.31 0.08 0.00 0.70 0.00 0.00 55.95 55.36 1wfn s SER 3 Cb -0.10 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1wfn s SER 3 CO 0.01 -0.79 0.58 -0.83 1.20 0.00 0.00 173.24 173.41 1wfn s GLY 4 N -3.12 1.99 0.52 9.45 0.00 -1.26 -5.02 107.32 109.89 1wfn s GLY 4 Ca 0.33 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1wfn s GLY 4 CO 0.08 -1.69 0.00 -1.14 0.00 0.00 0.00 173.10 170.34 1wfn n SER 5 N -1.91 -7.60 0.03 1.64 3.41 -1.26 -4.95 113.62 102.97 1wfn n SER 5 Ca 0.08 1.18 -0.02 0.00 -0.26 0.00 0.00 58.87 59.86 1wfn n SER 5 Cb 0.62 -4.63 -0.01 0.00 -0.26 0.00 0.00 64.21 59.93 1wfn n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wfn n SER 6 N -4.30 1.20 -0.35 4.04 2.88 -1.26 -5.14 113.62 110.69 1wfn n SER 6 Ca -0.07 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1wfn n SER 6 Cb 0.65 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1wfn n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfn n GLY 7 N 3.17 -0.60 3.82 0.46 0.00 -1.26 -5.08 105.19 105.70 1wfn n GLY 7 Ca -0.02 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1wfn n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfn s PRO 8 N -0.18 3.06 -0.17 1.61 0.04 -1.26 -4.58 135.00 133.53 1wfn s PRO 8 Ca 0.00 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.02 1wfn s PRO 8 Cb 0.00 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1wfn s PRO 8 CO 0.00 -1.00 0.07 1.04 0.04 0.00 0.00 177.00 177.15 1wfn n GLN 9 N -2.81 -2.85 -4.55 4.56 6.02 -1.26 -5.04 117.38 111.44 1wfn n GLN 9 Ca 0.08 2.36 -0.26 0.00 -0.01 0.00 0.00 57.00 59.16 1wfn n GLN 9 Cb 0.53 -3.72 -0.09 0.00 1.02 0.00 0.00 30.24 27.98 1wfn n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wfn s LEU 10 N -0.98 2.20 0.14 1.08 2.01 -1.26 -5.17 118.68 116.70 1wfn s LEU 10 Ca -0.08 -1.54 -0.24 0.00 0.01 0.00 0.00 54.13 52.28 1wfn s LEU 10 Cb 0.01 -0.40 0.07 0.00 0.01 0.00 0.00 46.19 45.88 1wfn s LEU 10 CO 0.51 -0.76 0.64 0.54 1.01 0.00 0.00 176.35 178.29 1wfn s VAL 11 N -3.12 0.00 0.44 -1.59 0.11 -1.26 -5.14 120.40 109.84 1wfn s VAL 11 Ca 0.26 -0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 59.10 1wfn s VAL 11 Cb 0.05 -1.01 -0.15 0.00 -1.53 0.00 0.00 36.38 33.74 1wfn s VAL 11 CO 0.13 0.00 -0.02 0.54 -3.33 0.00 0.00 175.10 172.42 1wfn n ARG 12 N -0.36 0.00 -3.64 1.54 1.74 -1.26 -4.97 116.66 109.71 1wfn n ARG 12 Ca -0.16 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.89 1wfn n ARG 12 Cb 0.64 -0.98 -0.01 0.00 -1.02 0.00 0.00 32.46 31.09 1wfn n ARG 12 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1wfn s THR 13 N -1.81 0.00 -0.43 0.55 -1.32 -1.26 -5.13 115.64 106.25 1wfn s THR 13 Ca 0.57 -0.29 0.03 0.00 -1.21 0.00 0.00 61.69 60.79 1wfn s THR 13 Cb -0.55 -1.64 0.19 0.00 -1.51 0.00 0.00 72.50 68.99 1wfn s THR 13 CO 0.63 0.00 0.79 -1.00 -2.21 0.00 0.00 174.62 172.83 1wfn s HIS 14 N -2.84 -1.30 -0.17 9.09 3.76 -1.26 -5.14 115.29 117.43 1wfn s HIS 14 Ca 0.11 -0.11 -0.19 0.00 -0.15 0.00 0.00 55.06 54.72 1wfn s HIS 14 Cb 0.01 0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.91 1wfn s HIS 14 CO -0.03 -0.95 0.54 -1.21 -0.85 0.00 0.00 174.74 172.24 1wfn s GLU 15 N 1.40 4.25 0.25 1.40 2.02 -1.26 -4.95 118.70 121.82 1wfn s GLU 15 Ca 0.22 0.49 0.02 0.00 0.02 0.00 0.00 54.97 55.71 1wfn s GLU 15 Cb 0.01 -3.52 0.31 0.00 0.10 0.00 0.00 34.13 31.02 1wfn s GLU 15 CO -0.08 -0.07 1.63 0.22 0.02 0.00 0.00 175.26 176.98 1wfn h ASP 16 N 7.23 0.45 -3.69 -0.19 1.82 -1.99 -3.44 116.42 116.60 1wfn h ASP 16 Ca -0.36 -0.20 -0.48 0.00 -0.39 0.00 0.00 57.03 55.61 1wfn h ASP 16 Cb 1.16 -0.13 0.06 0.00 0.68 0.00 0.00 39.33 41.10 1wfn h ASP 16 CO 0.75 0.82 0.19 0.68 -1.61 0.00 0.00 179.24 180.06 1wfn s VAL 17 N -4.18 3.63 1.05 2.25 -7.23 -1.26 -4.60 120.40 110.06 1wfn s VAL 17 Ca -0.06 0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 59.95 1wfn s VAL 17 Cb 0.13 -3.45 0.25 0.00 0.56 0.00 0.00 36.38 33.87 1wfn s VAL 17 CO 0.80 -0.47 1.16 -0.81 -0.31 0.00 0.00 175.10 175.47 1wfn n PRO 18 N -2.60 -2.13 0.00 4.82 -0.04 -1.24 -4.64 135.00 129.16 1wfn n PRO 18 Ca 0.05 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1wfn n PRO 18 Cb 0.58 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1wfn n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wfn n GLY 19 N -3.84 3.74 3.72 0.55 0.00 -1.15 -1.98 105.19 106.25 1wfn n GLY 19 Ca 0.15 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1wfn n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfn s PRO 20 N 2.72 4.51 1.15 1.61 0.04 -1.26 -4.02 135.00 139.75 1wfn s PRO 20 Ca 0.00 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 1wfn s PRO 20 Cb 0.00 -3.32 0.25 0.00 0.04 0.00 0.00 34.50 31.47 1wfn s PRO 20 CO 0.00 -0.10 0.89 1.33 0.04 0.00 0.00 177.00 179.16 1wfn n VAL 21 N 3.19 0.00 0.00 -0.36 0.24 -1.26 -4.56 118.33 115.58 1wfn n VAL 21 Ca 0.06 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1wfn n VAL 21 Cb 0.46 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 1wfn n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfn n GLY 22 N 1.08 -2.30 3.56 7.63 0.00 -1.01 -4.83 105.19 109.33 1wfn n GLY 22 Ca 0.04 0.49 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 1wfn n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wfn s HIS 23 N -0.69 -0.71 0.39 1.61 -3.43 -1.26 -4.69 115.29 106.50 1wfn s HIS 23 Ca 0.00 1.45 -0.25 0.00 -0.80 0.00 0.00 55.06 55.46 1wfn s HIS 23 Cb 0.00 0.35 -0.09 0.00 -1.43 0.00 0.00 32.58 31.42 1wfn s HIS 23 CO 0.00 -0.52 1.14 -0.51 -2.00 0.00 0.00 174.74 172.85 1wfn s LEU 24 N -0.56 4.21 -0.01 5.38 2.01 -1.26 -4.06 118.68 124.39 1wfn s LEU 24 Ca -0.07 2.28 -0.02 0.00 0.01 0.00 0.00 54.13 56.33 1wfn s LEU 24 Cb -0.02 -4.02 -0.00 0.00 0.01 0.00 0.00 46.19 42.15 1wfn s LEU 24 CO 0.06 -0.60 0.05 -0.44 1.01 0.00 0.00 176.35 176.43 1wfn s SER 25 N -1.20 0.02 -0.05 2.29 0.01 0.11 -4.95 113.70 109.93 1wfn s SER 25 Ca 0.56 -0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.76 1wfn s SER 25 Cb -0.29 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.10 1wfn s SER 25 CO 0.37 -0.13 -0.01 -0.36 0.41 0.00 0.00 173.24 173.52 1wfn s PHE 26 N -0.51 0.53 0.26 2.43 0.08 -1.26 -0.12 117.98 119.39 1wfn s PHE 26 Ca -0.06 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.92 1wfn s PHE 26 Cb -0.04 -0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.75 1wfn s PHE 26 CO 0.00 -0.22 0.13 -1.54 -0.10 0.00 0.00 175.22 173.49 1wfn s SER 27 N 1.42 1.08 -1.57 1.36 1.04 -0.84 -4.86 113.70 111.33 1wfn s SER 27 Ca -0.04 -1.45 -0.03 0.00 0.48 0.00 0.00 55.95 54.91 1wfn s SER 27 Cb -0.13 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.31 1wfn s SER 27 CO -0.03 -0.81 0.07 -0.62 0.98 0.00 0.00 173.24 172.84 1wfn n GLU 28 N -0.46 -0.91 -2.59 4.02 -0.58 -1.26 -2.01 120.64 116.84 1wfn n GLU 28 Ca 0.01 0.09 -0.36 0.00 -0.42 0.00 0.00 57.16 56.49 1wfn n GLU 28 Cb 0.66 -3.67 -0.04 0.00 -0.57 0.00 0.00 31.44 27.81 1wfn n GLU 28 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wfn s ILE 29 N -4.23 3.85 0.00 -3.67 1.01 -1.26 -4.14 121.20 112.76 1wfn s ILE 29 Ca 0.10 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1wfn s ILE 29 Cb -0.06 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1wfn s ILE 29 CO 0.99 -0.07 0.00 0.18 0.00 0.00 0.00 174.94 176.04 1wfn n LEU 30 N -0.29 0.00 -0.02 2.97 4.77 0.26 -4.74 117.00 119.95 1wfn n LEU 30 Ca 0.06 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.09 1wfn n LEU 30 Cb 0.51 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 1wfn n LEU 30 CO 0.43 0.00 -0.75 -0.90 -1.33 0.00 0.00 177.39 174.84 1wfn n ASP 31 N 0.00 1.27 -0.98 -1.43 5.75 -1.22 0.13 116.55 120.07 1wfn n ASP 31 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1wfn n ASP 31 Cb 0.00 1.59 -0.02 0.00 -1.03 0.00 0.00 41.12 41.66 1wfn n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1wfn n THR 32 N -2.16 0.00 -3.62 2.12 -2.24 -1.26 0.11 114.28 107.24 1wfn n THR 32 Ca -0.07 -0.30 -0.03 0.00 -2.27 0.00 0.00 64.05 61.37 1wfn n THR 32 Cb 0.53 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 1wfn n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfn s SER 33 N -1.12 -0.71 0.03 3.42 1.04 -1.26 -2.27 113.70 112.83 1wfn s SER 33 Ca 0.10 1.10 -0.05 0.00 0.48 0.00 0.00 55.95 57.58 1wfn s SER 33 Cb 0.12 1.41 -0.01 0.00 0.10 0.00 0.00 66.02 67.63 1wfn s SER 33 CO -0.05 -0.17 0.07 -1.48 0.98 0.00 0.00 173.24 172.59 1wfn s LEU 34 N 1.69 1.88 -0.17 2.42 0.05 -0.91 0.91 118.68 124.54 1wfn s LEU 34 Ca -0.08 -0.51 -0.16 0.00 0.05 0.00 0.00 54.13 53.43 1wfn s LEU 34 Cb -0.05 0.51 -0.04 0.00 -2.05 0.00 0.00 46.19 44.55 1wfn s LEU 34 CO -0.17 -0.46 0.39 -0.75 -0.55 0.00 0.00 176.35 174.81 1wfn s LYS 35 N -2.31 4.24 -0.08 1.48 2.20 -0.85 0.39 119.74 124.81 1wfn s LYS 35 Ca -0.08 0.23 -0.04 0.00 -0.36 0.00 0.00 55.97 55.72 1wfn s LYS 35 Cb -0.03 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1wfn s LYS 35 CO -0.03 0.09 0.11 0.08 -0.36 0.00 0.00 175.35 175.23 1wfn s VAL 36 N 0.91 5.14 0.06 4.02 1.01 0.29 -1.98 120.40 129.85 1wfn s VAL 36 Ca 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 1wfn s VAL 36 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1wfn s VAL 36 CO 0.07 0.52 0.07 -0.55 0.00 0.00 0.00 175.10 175.22 1wfn s SER 37 N -1.27 0.29 0.10 3.32 0.15 0.82 0.46 113.70 117.57 1wfn s SER 37 Ca 0.18 -0.78 -0.05 0.00 0.70 0.00 0.00 55.95 56.01 1wfn s SER 37 Cb -0.12 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1wfn s SER 37 CO 0.08 -0.62 0.24 -2.67 1.20 0.00 0.00 173.24 171.46 1wfn n TRP 38 N 0.21 -1.24 -4.42 3.44 2.14 0.92 0.06 117.44 118.54 1wfn n TRP 38 Ca -0.16 -0.48 -0.23 0.00 2.07 0.00 0.00 57.50 58.71 1wfn n TRP 38 Cb 0.61 0.24 -0.08 0.00 -0.81 0.00 0.00 31.31 31.27 1wfn n TRP 38 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1wfn s GLN 39 N -2.02 1.82 0.09 -2.67 -0.21 -1.26 -4.80 119.66 110.62 1wfn s GLN 39 Ca 0.05 -2.09 -0.29 0.00 0.02 0.00 0.00 55.36 53.06 1wfn s GLN 39 Cb -0.01 -0.25 -0.06 0.00 1.00 0.00 0.00 33.01 33.69 1wfn s GLN 39 CO 0.03 -0.52 0.91 -1.21 -2.12 0.00 0.00 175.29 172.38 1wfn s GLU 40 N -3.66 4.64 0.53 2.91 2.02 -1.26 -2.41 118.70 121.48 1wfn s GLU 40 Ca 0.31 1.35 -0.18 0.00 0.02 0.00 0.00 54.97 56.47 1wfn s GLU 40 Cb 0.03 -3.38 -0.06 0.00 0.10 0.00 0.00 34.13 30.82 1wfn s GLU 40 CO 0.19 0.22 1.04 -1.25 0.02 0.00 0.00 175.26 175.48 1wfn s PRO 41 N 0.02 3.60 0.00 0.39 0.04 -1.26 -4.02 135.00 133.77 1wfn s PRO 41 Ca 0.45 1.27 0.29 0.00 0.04 0.00 0.00 61.00 63.04 1wfn s PRO 41 Cb -0.23 -2.07 1.20 0.00 0.04 0.00 0.00 34.50 33.45 1wfn s PRO 41 CO 0.28 -0.59 1.84 0.41 0.04 0.00 0.00 177.00 178.99 1wfn n GLY 42 N -0.66 -0.92 1.86 0.56 0.00 -1.26 -3.57 105.19 101.21 1wfn n GLY 42 Ca 0.09 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1wfn n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wfn n GLU 43 N -0.93 2.94 -0.71 1.61 0.28 -1.26 -4.76 120.64 117.81 1wfn n GLU 43 Ca 0.14 -3.72 0.53 0.00 -0.16 0.00 0.00 57.16 53.96 1wfn n GLU 43 Cb 0.28 -2.16 0.82 0.00 1.43 0.00 0.00 31.44 31.81 1wfn n GLU 43 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1wfn h LYS 44 N 1.84 0.00 -5.68 3.44 1.57 -1.92 -3.05 116.57 112.77 1wfn h LYS 44 Ca 0.38 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.93 1wfn h LYS 44 Cb 1.38 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.56 1wfn h LYS 44 CO 0.86 0.00 -0.34 0.09 -0.57 0.00 0.00 179.45 179.48 1wfn n ASN 45 N -3.92 -1.60 0.00 0.86 3.02 -1.26 -3.71 115.26 108.65 1wfn n ASN 45 Ca 0.44 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1wfn n ASN 45 Cb 2.02 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 1wfn n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfn n GLY 46 N -0.74 1.30 3.64 7.41 0.00 -1.26 -4.55 105.19 110.98 1wfn n GLY 46 Ca 0.03 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1wfn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfn s ILE 47 N -1.40 4.56 0.15 -0.61 -1.09 -1.26 -4.98 121.20 116.57 1wfn s ILE 47 Ca 0.00 1.82 -0.31 0.00 -2.23 0.00 0.00 60.65 59.93 1wfn s ILE 47 Cb 0.00 -4.38 -0.10 0.00 -1.58 0.00 0.00 42.46 36.40 1wfn s ILE 47 CO 0.00 -0.39 1.64 -0.76 -1.23 0.00 0.00 174.94 174.20 1wfn s LEU 48 N 3.51 4.37 -0.01 2.97 1.43 -1.26 -2.88 118.68 126.81 1wfn s LEU 48 Ca 0.45 2.65 0.19 0.00 -1.03 0.00 0.00 54.13 56.39 1wfn s LEU 48 Cb -0.13 -3.59 -0.23 0.00 0.03 0.00 0.00 46.19 42.28 1wfn s LEU 48 CO 0.12 -0.88 0.74 0.35 0.23 0.00 0.00 176.35 176.91 1wfn n THR 49 N 4.21 0.00 -1.08 5.49 -2.24 0.51 -4.66 114.28 116.52 1wfn n THR 49 Ca 0.15 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1wfn n THR 49 Cb 0.38 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1wfn n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfn n GLY 50 N 1.44 -2.23 2.98 3.38 0.00 -0.69 -3.75 105.19 106.33 1wfn n GLY 50 Ca 0.02 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 1wfn n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wfn s TYR 51 N -2.28 0.97 -0.38 1.61 2.02 0.15 0.19 117.35 119.63 1wfn s TYR 51 Ca 0.00 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 1wfn s TYR 51 Cb 0.00 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.86 1wfn s TYR 51 CO 0.00 -0.13 0.24 0.50 -1.57 0.00 0.00 175.55 174.58 1wfn s ARG 52 N 0.37 2.98 0.04 -0.62 3.52 0.10 -0.32 118.95 125.02 1wfn s ARG 52 Ca -0.06 -0.99 0.00 0.00 -0.13 0.00 0.00 55.73 54.56 1wfn s ARG 52 Cb -0.10 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 1wfn s ARG 52 CO 0.01 -0.67 0.14 -1.50 -0.81 0.00 0.00 175.30 172.48 1wfn s ILE 53 N 1.62 5.03 -0.22 4.11 2.07 -1.03 0.52 121.20 133.31 1wfn s ILE 53 Ca 0.04 -0.46 -0.05 0.00 -1.41 0.00 0.00 60.65 58.77 1wfn s ILE 53 Cb -0.19 -3.40 0.11 0.00 0.13 0.00 0.00 42.46 39.11 1wfn s ILE 53 CO 0.08 0.20 0.41 -0.94 -1.91 0.00 0.00 174.94 172.78 1wfn s SER 54 N -2.24 -0.09 -0.03 4.50 1.04 0.15 -1.48 113.70 115.55 1wfn s SER 54 Ca 0.30 0.67 -0.02 0.00 0.48 0.00 0.00 55.95 57.37 1wfn s SER 54 Cb -0.13 1.28 -0.04 0.00 0.10 0.00 0.00 66.02 67.24 1wfn s SER 54 CO 0.22 -0.26 0.11 -1.66 0.98 0.00 0.00 173.24 172.63 1wfn s TRP 55 N 2.59 3.40 -0.16 5.02 -2.14 -1.25 0.66 118.94 127.06 1wfn s TRP 55 Ca 0.05 0.30 -0.29 0.00 2.66 0.00 0.00 56.10 58.82 1wfn s TRP 55 Cb -0.14 -1.80 0.09 0.00 -3.10 0.00 0.00 33.47 28.53 1wfn s TRP 55 CO -0.14 0.60 0.82 -1.83 -2.66 0.00 0.00 176.95 173.74 1wfn s GLU 56 N -1.64 0.81 1.01 3.25 -1.05 -0.16 -2.10 118.70 118.82 1wfn s GLU 56 Ca 0.22 0.44 -0.17 0.00 -0.15 0.00 0.00 54.97 55.32 1wfn s GLU 56 Cb -0.12 0.39 0.07 0.00 -0.44 0.00 0.00 34.13 34.03 1wfn s GLU 56 CO 0.13 -0.20 -0.15 0.39 0.95 0.00 0.00 175.26 176.38 1wfn n GLU 57 N 1.45 -1.50 0.12 -4.83 -0.58 -1.24 0.20 120.64 114.26 1wfn n GLU 57 Ca -0.15 -0.44 -0.14 0.00 -0.42 0.00 0.00 57.16 56.02 1wfn n GLU 57 Cb 0.57 -1.43 -0.08 0.00 -0.57 0.00 0.00 31.44 29.92 1wfn n GLU 57 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1wfn h TYR 58 N -2.14 -1.27 -1.81 -0.32 3.20 0.10 -3.32 116.97 111.41 1wfn h TYR 58 Ca -0.35 0.03 -0.48 0.00 3.14 0.00 0.00 58.73 61.07 1wfn h TYR 58 Cb 1.02 0.53 -0.40 0.00 1.54 0.00 0.00 36.73 39.42 1wfn h TYR 58 CO -1.40 -0.51 -1.08 -1.71 -1.64 0.00 0.00 178.16 171.82 1wfn n ASN 59 N -4.97 1.78 -3.14 -2.11 2.85 -1.26 -4.82 115.26 103.59 1wfn n ASN 59 Ca -0.08 -3.10 -0.11 0.00 -0.11 0.00 0.00 54.58 51.18 1wfn n ASN 59 Cb 0.35 -0.58 -0.04 0.00 1.24 0.00 0.00 39.78 40.75 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1wfn s ARG 60 N -2.81 0.87 0.62 1.20 0.52 -1.25 -4.98 118.95 113.12 1wfn s ARG 60 Ca 0.39 -1.05 0.35 0.00 -0.52 0.00 0.00 55.73 54.91 1wfn s ARG 60 Cb 0.36 -0.47 2.04 0.00 0.52 0.00 0.00 34.95 37.40 1wfn s ARG 60 CO -0.07 -1.28 2.28 1.15 0.02 0.00 0.00 175.30 177.40 1wfn h THR 61 N 4.94 0.31 -0.41 0.02 2.02 -1.93 -1.05 112.91 116.81 1wfn h THR 61 Ca 0.10 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.39 1wfn h THR 61 Cb 1.07 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1wfn h THR 61 CO 0.15 0.00 0.60 0.78 0.37 0.00 0.00 175.52 177.42 1wfn h ASN 62 N 0.00 0.00 -0.72 4.18 4.21 -1.98 1.32 115.58 122.58 1wfn h ASN 62 Ca 0.01 0.00 -0.46 0.00 1.21 0.00 0.00 56.30 57.06 1wfn h ASN 62 Cb 0.07 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 37.00 1wfn h ASN 62 CO -0.00 0.00 0.12 0.35 -1.29 0.00 0.00 177.43 176.61 1wfn n THR 63 N -3.36 2.95 -3.63 2.81 -2.24 -0.40 -5.00 114.28 105.42 1wfn n THR 63 Ca 0.08 -3.04 -0.25 0.00 -2.27 0.00 0.00 64.05 58.56 1wfn n THR 63 Cb 0.76 -0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 1wfn n THR 63 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wfn s ARG 64 N -3.51 3.50 0.07 -0.78 3.00 0.45 -3.97 118.95 117.72 1wfn s ARG 64 Ca 0.54 -0.38 -0.05 0.00 -1.00 0.00 0.00 55.73 54.83 1wfn s ARG 64 Cb 0.45 -2.78 -0.02 0.00 0.00 0.00 0.00 34.95 32.60 1wfn s ARG 64 CO 0.02 0.32 0.10 0.54 0.00 0.00 0.00 175.30 176.28 1wfn s VAL 65 N -2.03 0.18 -0.26 7.11 0.11 -0.89 -4.99 120.40 119.63 1wfn s VAL 65 Ca 0.38 -1.45 -0.01 0.00 -2.93 0.00 0.00 61.98 57.98 1wfn s VAL 65 Cb -0.10 -1.42 0.08 0.00 -1.53 0.00 0.00 36.38 33.41 1wfn s VAL 65 CO 0.31 -0.80 0.04 -0.89 -3.33 0.00 0.00 175.10 170.43 1wfn s THR 66 N -3.89 1.01 0.31 5.04 2.01 -1.26 -3.88 115.64 114.98 1wfn s THR 66 Ca 0.06 -1.17 0.09 0.00 0.31 0.00 0.00 61.69 60.98 1wfn s THR 66 Cb 0.06 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 1wfn s THR 66 CO -0.11 -0.40 0.04 -1.00 -0.69 0.00 0.00 174.62 172.46 1wfn s HIS 67 N 1.59 2.64 -0.01 4.92 3.76 -0.55 -5.03 115.29 122.62 1wfn s HIS 67 Ca 0.03 -0.34 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 1wfn s HIS 67 Cb -0.18 -1.41 -0.01 0.00 1.11 0.00 0.00 32.58 32.10 1wfn s HIS 67 CO -0.15 0.50 -0.10 0.71 -0.85 0.00 0.00 174.74 174.85 1wfn s TYR 68 N -2.42 0.93 0.12 1.40 2.02 -1.26 -2.46 117.35 115.69 1wfn s TYR 68 Ca 0.34 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 1wfn s TYR 68 Cb -0.03 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.88 1wfn s TYR 68 CO 0.20 -0.02 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.57 1wfn s LEU 69 N -0.22 2.52 1.08 -1.29 1.43 0.56 -4.97 118.68 117.79 1wfn s LEU 69 Ca 0.04 -1.00 -0.18 0.00 -1.03 0.00 0.00 54.13 51.96 1wfn s LEU 69 Cb -0.04 -0.23 0.24 0.00 0.03 0.00 0.00 46.19 46.19 1wfn s LEU 69 CO -0.00 -0.38 1.22 -2.16 0.23 0.00 0.00 176.35 175.25 1wfn s PRO 70 N -3.74 -0.28 -0.13 1.29 0.04 -1.26 0.31 135.00 131.23 1wfn s PRO 70 Ca 0.14 -0.25 0.04 0.00 0.04 0.00 0.00 61.00 60.97 1wfn s PRO 70 Cb 0.03 -1.72 0.29 0.00 0.04 0.00 0.00 34.50 33.14 1wfn s PRO 70 CO -0.02 -3.05 1.14 0.27 0.04 0.00 0.00 177.00 175.38 1wfn n ASN 71 N -4.26 3.03 -0.01 6.66 6.94 -1.25 -3.32 115.26 123.07 1wfn n ASN 71 Ca 0.14 -2.47 -0.01 0.00 -0.02 0.00 0.00 54.58 52.22 1wfn n ASN 71 Cb 0.59 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 37.40 1wfn n ASN 71 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1wfn n VAL 72 N 0.08 0.11 -3.64 3.53 0.24 -1.26 -4.94 118.33 112.45 1wfn n VAL 72 Ca 0.16 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.34 62.05 1wfn n VAL 72 Cb 0.76 -0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 32.14 1wfn n VAL 72 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wfn s THR 73 N -2.04 5.17 -0.00 3.34 2.01 -1.21 -4.97 115.64 117.94 1wfn s THR 73 Ca -0.01 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1wfn s THR 73 Cb 0.00 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1wfn s THR 73 CO 0.07 0.30 0.67 0.18 -0.69 0.00 0.00 174.62 175.16 1wfn n LEU 74 N 0.94 0.31 -3.85 4.42 4.77 -1.26 -4.74 117.00 117.60 1wfn n LEU 74 Ca -0.09 -0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 55.25 1wfn n LEU 74 Cb 0.52 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1wfn n LEU 74 CO 0.42 0.13 -0.16 -1.83 -1.33 0.00 0.00 177.39 174.62 1wfn s GLU 75 N -0.21 0.42 -0.07 3.23 1.03 -1.26 -0.06 118.70 121.78 1wfn s GLU 75 Ca 0.01 -0.22 -0.22 0.00 0.03 0.00 0.00 54.97 54.57 1wfn s GLU 75 Cb 0.01 0.18 0.05 0.00 -0.80 0.00 0.00 34.13 33.56 1wfn s GLU 75 CO 0.00 -0.09 0.50 -0.47 -1.33 0.00 0.00 175.26 173.87 1wfn s TYR 76 N -0.98 -0.46 -0.14 4.83 6.14 0.17 -4.95 117.35 121.96 1wfn s TYR 76 Ca -0.11 0.87 -0.20 0.00 0.64 0.00 0.00 57.07 58.27 1wfn s TYR 76 Cb -0.06 0.24 -0.03 0.00 0.42 0.00 0.00 41.96 42.53 1wfn s TYR 76 CO 0.01 -0.44 0.58 0.50 0.64 0.00 0.00 175.55 176.84 1wfn s ARG 77 N -0.88 4.30 0.05 4.97 3.52 -1.26 0.11 118.95 129.76 1wfn s ARG 77 Ca -0.09 0.60 -0.06 0.00 -0.13 0.00 0.00 55.73 56.05 1wfn s ARG 77 Cb -0.03 -3.50 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 1wfn s ARG 77 CO 0.06 -0.03 0.30 0.08 -0.81 0.00 0.00 175.30 174.89 1wfn s VAL 78 N 1.21 5.26 0.01 7.11 1.01 0.16 -4.96 120.40 130.21 1wfn s VAL 78 Ca 0.29 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 1wfn s VAL 78 Cb -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1wfn s VAL 78 CO 0.12 0.27 0.18 0.42 0.00 0.00 0.00 175.10 176.09 1wfn s THR 79 N -1.40 0.09 0.00 3.92 -4.23 -1.26 -2.15 115.64 110.61 1wfn s THR 79 Ca 0.32 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1wfn s THR 79 Cb -0.13 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.08 1wfn s THR 79 CO 0.19 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1wfn n GLY 80 N 1.16 1.50 0.00 3.99 0.00 -0.96 -5.01 105.19 105.86 1wfn n GLY 80 Ca -0.21 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1wfn n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfn n LEU 81 N 0.00 0.00 -3.74 0.99 4.77 -1.11 -5.07 117.00 112.84 1wfn n LEU 81 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1wfn n LEU 81 Cb 0.08 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 1wfn n LEU 81 CO 0.00 0.00 0.06 -0.89 -1.33 0.00 0.00 177.39 175.23 1wfn s THR 82 N 2.23 0.04 0.34 -5.08 2.01 -1.22 -4.78 115.64 109.18 1wfn s THR 82 Ca 0.00 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 1wfn s THR 82 Cb 0.00 -0.63 -0.11 0.00 0.01 0.00 0.00 72.50 71.76 1wfn s THR 82 CO 0.00 -0.20 1.54 0.00 -0.69 0.00 0.00 174.62 175.27 1wfn s ALA 83 N -1.10 3.66 -1.08 7.40 0.00 0.31 -2.70 121.76 128.24 1wfn s ALA 83 Ca -0.11 1.58 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 1wfn s ALA 83 Cb -0.04 -3.63 0.04 0.00 0.00 0.00 0.00 23.12 19.49 1wfn s ALA 83 CO 0.04 -1.02 0.61 1.28 0.00 0.00 0.00 175.76 176.66 1wfn n LEU 84 N 1.29 -0.16 -3.91 0.00 4.77 -1.26 -4.92 117.00 112.81 1wfn n LEU 84 Ca 0.04 -1.17 -0.28 0.00 -0.03 0.00 0.00 56.01 54.58 1wfn n LEU 84 Cb 0.38 -1.42 -0.17 0.00 -2.33 0.00 0.00 43.42 39.89 1wfn n LEU 84 CO 0.64 0.73 -0.44 -0.89 -1.33 0.00 0.00 177.39 176.10 1wfn s THR 85 N -3.64 1.11 -0.05 -5.08 2.01 -1.10 -4.94 115.64 103.95 1wfn s THR 85 Ca 0.42 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1wfn s THR 85 Cb -0.24 -1.19 -0.08 0.00 0.01 0.00 0.00 72.50 71.00 1wfn s THR 85 CO 0.88 0.26 2.03 0.41 -0.69 0.00 0.00 174.62 177.51 1wfn n THR 86 N 4.90 0.63 -4.36 -0.82 -1.04 -1.26 -2.01 114.28 110.32 1wfn n THR 86 Ca -0.13 -0.22 -0.20 0.00 -2.04 0.00 0.00 64.05 61.47 1wfn n THR 86 Cb 0.49 -2.31 -0.10 0.00 -1.82 0.00 0.00 70.33 66.59 1wfn n THR 86 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1wfn s TYR 87 N 5.45 1.81 -0.17 -1.42 2.02 0.47 0.14 117.35 125.65 1wfn s TYR 87 Ca 0.93 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 1wfn s TYR 87 Cb -0.45 -0.84 0.04 0.00 -0.40 0.00 0.00 41.96 40.31 1wfn s TYR 87 CO 0.42 0.41 -0.09 0.99 -1.57 0.00 0.00 175.55 175.71 1wfn s THR 88 N -2.78 1.38 -0.31 -0.71 2.01 0.54 0.19 115.64 115.96 1wfn s THR 88 Ca 0.23 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1wfn s THR 88 Cb -0.02 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1wfn s THR 88 CO 0.08 0.22 0.20 -0.63 -0.69 0.00 0.00 174.62 173.80 1wfn s ILE 89 N 1.52 5.04 -0.28 1.82 -1.09 -0.84 -0.99 121.20 126.39 1wfn s ILE 89 Ca 0.01 -0.19 -0.10 0.00 -2.23 0.00 0.00 60.65 58.14 1wfn s ILE 89 Cb -0.15 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1wfn s ILE 89 CO -0.08 0.09 0.15 -1.61 -1.23 0.00 0.00 174.94 172.26 1wfn s GLU 90 N 1.69 3.72 -0.26 2.79 2.02 0.21 -1.65 118.70 127.22 1wfn s GLU 90 Ca 0.06 -0.46 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 1wfn s GLU 90 Cb -0.17 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.51 1wfn s GLU 90 CO 0.09 -0.25 0.02 0.08 0.02 0.00 0.00 175.26 175.22 1wfn s VAL 91 N 1.69 3.58 0.35 2.63 1.01 -0.09 0.29 120.40 129.87 1wfn s VAL 91 Ca 0.06 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1wfn s VAL 91 Cb -0.16 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1wfn s VAL 91 CO 0.08 0.19 0.12 0.00 0.00 0.00 0.00 175.10 175.50 1wfn s ALA 92 N 1.46 3.45 -0.05 5.51 0.00 0.19 -0.39 121.76 131.92 1wfn s ALA 92 Ca 0.03 -1.88 0.06 0.00 0.00 0.00 0.00 51.96 50.17 1wfn s ALA 92 Cb -0.16 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 1wfn s ALA 92 CO -0.00 0.02 -0.24 0.00 0.00 0.00 0.00 175.76 175.53 1wfn s ALA 93 N -2.46 2.09 -0.07 0.00 0.00 -1.25 -0.72 121.76 119.34 1wfn s ALA 93 Ca 0.37 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1wfn s ALA 93 Cb -0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1wfn s ALA 93 CO 0.22 0.41 -0.08 -1.64 0.00 0.00 0.00 175.76 174.67 1wfn s MET 94 N -0.17 2.81 0.00 0.00 -1.94 0.50 -1.66 119.30 118.84 1wfn s MET 94 Ca -0.03 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 1wfn s MET 94 Cb -0.13 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.13 1wfn s MET 94 CO 0.03 0.60 0.00 0.25 -0.01 0.00 0.00 175.02 175.90 1wfn n THR 95 N 2.40 0.00 1.38 2.05 -2.24 0.47 0.19 114.28 118.52 1wfn n THR 95 Ca -0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1wfn n THR 95 Cb 0.53 0.00 0.68 0.00 -2.10 0.00 0.00 70.33 69.43 1wfn n THR 95 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wfn n SER 96 N -0.78 0.00 -0.08 3.42 7.64 -1.14 -3.02 113.62 119.66 1wfn n SER 96 Ca 0.00 -0.50 -0.11 0.00 1.01 0.00 0.00 58.87 59.27 1wfn n SER 96 Cb 0.00 -0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.02 1wfn n SER 96 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1wfn n LYS 97 N -1.11 0.38 0.00 1.43 3.00 -1.26 -5.13 118.16 115.47 1wfn n LYS 97 Ca 0.16 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1wfn n LYS 97 Cb 0.12 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 33.88 1wfn n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wfn n GLY 98 N 2.67 -0.55 3.80 3.14 0.00 -1.17 -5.06 105.19 108.02 1wfn n GLY 98 Ca -0.28 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1wfn n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wfn s GLN 99 N -1.66 2.96 0.00 1.61 0.74 -1.26 0.18 119.66 122.22 1wfn s GLN 99 Ca 0.00 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 54.70 1wfn s GLN 99 Cb 0.00 -2.75 0.00 0.00 1.10 0.00 0.00 33.01 31.36 1wfn s GLN 99 CO 0.00 0.55 0.00 0.41 -0.55 0.00 0.00 175.29 175.70 1wfn n GLY 100 N 0.22 4.58 3.05 2.59 0.00 -0.67 -4.74 105.19 110.21 1wfn n GLY 100 Ca -0.08 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 1wfn n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wfn n GLN 101 N 0.00 -1.89 -3.78 1.61 7.27 -0.84 -4.66 117.38 115.09 1wfn n GLN 101 Ca 0.00 -0.56 -0.13 0.00 0.07 0.00 0.00 57.00 56.39 1wfn n GLN 101 Cb 0.00 -1.46 -0.12 0.00 2.41 0.00 0.00 30.24 31.07 1wfn n GLN 101 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1wfn s VAL 102 N -2.09 -0.01 -0.49 1.69 0.11 -1.26 -3.90 120.40 114.45 1wfn s VAL 102 Ca 0.38 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 59.31 1wfn s VAL 102 Cb -0.06 -0.33 0.10 0.00 -1.53 0.00 0.00 36.38 34.56 1wfn s VAL 102 CO 0.40 0.01 0.41 -0.44 -3.33 0.00 0.00 175.10 172.16 1wfn s SER 103 N 0.33 6.07 -0.30 3.54 0.01 0.48 -4.85 113.70 118.97 1wfn s SER 103 Ca -0.02 -1.56 -0.11 0.00 1.31 0.00 0.00 55.95 55.58 1wfn s SER 103 Cb -0.03 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 1wfn s SER 103 CO -0.01 -0.71 0.18 0.00 0.41 0.00 0.00 173.24 173.11 1wfn s ALA 104 N 1.58 3.42 -0.11 1.44 0.00 -1.25 -0.91 121.76 125.93 1wfn s ALA 104 Ca 0.04 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.77 1wfn s ALA 104 Cb -0.26 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1wfn s ALA 104 CO 0.04 -0.75 -0.18 -1.12 0.00 0.00 0.00 175.76 173.75 1wfn s SER 105 N 1.70 3.57 -0.00 0.00 0.01 -0.66 -4.91 113.70 113.41 1wfn s SER 105 Ca 0.06 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.60 1wfn s SER 105 Cb -0.17 -1.40 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 1wfn s SER 105 CO 0.09 0.18 1.11 -0.89 0.41 0.00 0.00 173.24 174.14 1wfn s THR 106 N 0.22 4.44 -0.13 1.44 2.01 -1.26 -1.99 115.64 120.36 1wfn s THR 106 Ca -0.12 1.75 -0.06 0.00 0.31 0.00 0.00 61.69 63.57 1wfn s THR 106 Cb -0.16 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.28 1wfn s THR 106 CO 0.06 0.09 0.30 -0.51 -0.69 0.00 0.00 174.62 173.88 1wfn s ILE 107 N 1.38 -0.11 -0.80 1.82 1.10 0.52 -4.95 121.20 120.16 1wfn s ILE 107 Ca 0.55 0.15 -0.15 0.00 -0.51 0.00 0.00 60.65 60.68 1wfn s ILE 107 Cb -0.24 -0.46 0.19 0.00 0.15 0.00 0.00 42.46 42.09 1wfn s ILE 107 CO 0.26 0.06 0.80 -0.55 -2.11 0.00 0.00 174.94 173.41 1wfn s SER 108 N 1.50 6.64 0.00 4.50 0.15 -1.26 0.18 113.70 125.41 1wfn s SER 108 Ca -0.08 -2.39 0.00 0.00 0.70 0.00 0.00 55.95 54.18 1wfn s SER 108 Cb -0.10 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1wfn s SER 108 CO -0.10 -0.73 0.00 -1.54 1.20 0.00 0.00 173.24 172.07 1wfn n SER 109 N 4.74 0.00 0.00 5.45 3.41 -0.85 -4.40 113.62 121.97 1wfn n SER 109 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1wfn n SER 109 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1wfn n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfn n GLY 110 N 0.00 -0.07 3.65 5.00 0.00 0.34 -4.76 105.19 109.35 1wfn n GLY 110 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1wfn n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfn s VAL 111 N 0.00 0.00 0.01 1.61 0.11 0.88 -4.35 120.40 118.66 1wfn s VAL 111 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1wfn s VAL 111 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1wfn s VAL 111 CO 0.00 0.00 1.19 -2.16 -3.33 0.00 0.00 175.10 170.80 1wfn s PRO 112 N -0.06 4.41 0.43 1.54 0.04 -1.26 -3.41 135.00 136.69 1wfn s PRO 112 Ca 0.08 1.71 0.28 0.00 0.04 0.00 0.00 61.00 63.11 1wfn s PRO 112 Cb -0.05 -3.44 0.88 0.00 0.04 0.00 0.00 34.50 31.93 1wfn s PRO 112 CO -0.16 -0.32 1.79 -1.00 0.04 0.00 0.00 177.00 177.35 1wfn h PRO 113 N 7.09 0.00 -5.49 0.56 0.13 -2.01 -3.39 132.00 128.89 1wfn h PRO 113 Ca -0.39 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.08 1wfn h PRO 113 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1wfn h PRO 113 CO 0.84 0.00 1.38 -1.12 -0.23 0.00 0.00 178.00 178.87 1wfn s SER 114 N -5.56 6.69 0.00 1.44 0.01 -1.26 -4.89 113.70 110.13 1wfn s SER 114 Ca 0.05 -2.07 0.00 0.00 1.31 0.00 0.00 55.95 55.24 1wfn s SER 114 Cb 0.08 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1wfn s SER 114 CO 0.58 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.66 1wfn n GLY 115 N 5.73 5.57 3.78 3.44 0.00 -1.26 -5.16 105.19 117.28 1wfn n GLY 115 Ca 0.33 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1wfn n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfn s PRO 116 N 1.62 0.50 -0.04 1.61 0.04 -1.26 -5.09 135.00 132.38 1wfn s PRO 116 Ca 0.00 0.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.06 1wfn s PRO 116 Cb 0.00 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1wfn s PRO 116 CO 0.00 -2.59 0.09 -1.54 0.04 0.00 0.00 177.00 173.00 1wfn s SER 117 N -4.20 -0.08 0.46 6.66 1.04 -1.26 -5.09 113.70 111.24 1wfn s SER 117 Ca 0.68 0.18 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1wfn s SER 117 Cb -0.11 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1wfn s SER 117 CO 0.54 -0.06 0.00 -1.20 0.98 0.00 0.00 173.24 173.50 1wfn n SER 118 N 3.33 -7.96 0.00 7.02 7.64 -1.26 -5.35 113.62 117.04 1wfn n SER 118 Ca -0.16 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1wfn n SER 118 Cb 0.57 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 1wfn n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64