#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfe s SER 2 N 0.00 0.06 -0.42 1.61 0.01 -1.26 -5.13 113.70 108.58 1wfe s SER 2 Ca 0.00 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.65 1wfe s SER 2 Cb 0.00 0.37 0.12 0.00 0.21 0.00 0.00 66.02 66.72 1wfe s SER 2 CO 0.00 -0.77 0.20 -0.55 0.41 0.00 0.00 173.24 172.53 1wfe s SER 3 N -2.87 3.98 0.00 2.44 0.15 -1.26 -5.06 113.70 111.09 1wfe s SER 3 Ca 0.06 -2.48 0.00 0.00 0.70 0.00 0.00 55.95 54.23 1wfe s SER 3 Cb 0.04 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1wfe s SER 3 CO -0.10 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1wfe n GLY 4 N 3.76 4.18 3.20 9.45 0.00 -1.26 -5.16 105.19 119.36 1wfe n GLY 4 Ca 0.05 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 1wfe n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfe s SER 5 N 0.00 1.67 0.83 1.61 0.15 -1.26 -5.04 113.70 111.66 1wfe s SER 5 Ca 0.00 -0.80 -0.15 0.00 0.70 0.00 0.00 55.95 55.70 1wfe s SER 5 Cb 0.00 -0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1wfe s SER 5 CO 0.00 -0.21 0.48 -1.54 1.20 0.00 0.00 173.24 173.17 1wfe n SER 6 N 0.58 -1.58 0.00 5.45 3.41 -1.26 -4.91 113.62 115.31 1wfe n SER 6 Ca -0.16 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1wfe n SER 6 Cb 0.57 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1wfe n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfe n GLY 7 N 1.58 2.26 3.94 5.00 0.00 -1.26 -5.11 105.19 111.59 1wfe n GLY 7 Ca 0.08 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1wfe n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfe s SER 9 N -4.58 3.43 0.69 0.00 1.04 -1.26 -4.97 113.70 108.06 1wfe s SER 9 Ca 0.62 -0.63 -0.17 0.00 0.48 0.00 0.00 55.95 56.26 1wfe s SER 9 Cb -0.09 -0.35 -0.00 0.00 0.10 0.00 0.00 66.02 65.68 1wfe s SER 9 CO 0.45 0.21 1.05 1.21 0.98 0.00 0.00 173.24 177.14 1wfe n GLU 10 N 1.24 0.68 -3.32 4.02 2.13 -1.26 -5.03 120.64 119.10 1wfe n GLU 10 Ca -0.17 0.29 -0.03 0.00 0.66 0.00 0.00 57.16 57.91 1wfe n GLU 10 Cb 0.52 -2.29 -0.05 0.00 0.27 0.00 0.00 31.44 29.90 1wfe n GLU 10 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1wfe s VAL 11 N -1.69 -0.81 -0.03 6.31 1.01 -1.26 -5.12 120.40 118.81 1wfe s VAL 11 Ca 0.76 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 1wfe s VAL 11 Cb -0.36 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 1wfe s VAL 11 CO 0.47 -0.04 2.01 -0.46 0.00 0.00 0.00 175.10 177.08 1wfe n ASN 12 N 5.40 3.90 -4.79 3.32 6.94 -1.26 -4.95 115.26 123.81 1wfe n ASN 12 Ca -0.04 0.79 -0.35 0.00 -0.02 0.00 0.00 54.58 54.96 1wfe n ASN 12 Cb 0.50 -1.51 -0.05 0.00 -2.36 0.00 0.00 39.78 36.37 1wfe n ASN 12 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1wfe s VAL 13 N 5.10 3.98 0.18 3.53 0.11 -1.26 -5.01 120.40 127.04 1wfe s VAL 13 Ca 0.92 1.42 -0.30 0.00 -2.93 0.00 0.00 61.98 61.08 1wfe s VAL 13 Cb -0.46 -3.68 -0.08 0.00 -1.53 0.00 0.00 36.38 30.63 1wfe s VAL 13 CO 0.42 -0.09 1.26 0.68 -3.33 0.00 0.00 175.10 174.04 1wfe s VAL 14 N -1.83 3.44 0.06 2.04 -7.23 -1.26 -5.03 120.40 110.59 1wfe s VAL 14 Ca 0.59 1.17 0.03 0.00 -1.81 0.00 0.00 61.98 61.96 1wfe s VAL 14 Cb -0.17 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 32.99 1wfe s VAL 14 CO 0.22 0.17 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.33 1wfe s LYS 15 N 0.02 0.68 -0.08 4.82 2.20 -1.26 -5.15 119.74 120.97 1wfe s LYS 15 Ca 0.56 -0.92 -0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1wfe s LYS 15 Cb -0.34 -0.45 0.02 0.00 -1.51 0.00 0.00 37.83 35.55 1wfe s LYS 15 CO 0.36 0.08 -0.04 -1.21 -0.36 0.00 0.00 175.35 174.18 1wfe s GLU 16 N -2.02 1.01 -0.11 4.03 2.02 -1.26 -5.14 118.70 117.23 1wfe s GLU 16 Ca -0.04 -0.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.83 1wfe s GLU 16 Cb -0.07 -1.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.96 1wfe s GLU 16 CO 0.00 -0.23 0.05 1.03 0.02 0.00 0.00 175.26 176.14 1wfe s ARG 17 N 1.59 3.24 0.65 1.61 0.52 -1.26 -5.11 118.95 120.19 1wfe s ARG 17 Ca 0.00 -0.32 -0.11 0.00 -0.52 0.00 0.00 55.73 54.78 1wfe s ARG 17 Cb -0.13 -2.96 0.16 0.00 0.52 0.00 0.00 34.95 32.55 1wfe s ARG 17 CO -0.04 0.67 0.58 -0.35 0.02 0.00 0.00 175.30 176.17 1wfe n PRO 18 N 2.27 -2.15 -3.56 3.54 -0.04 -1.26 -4.43 135.00 129.37 1wfe n PRO 18 Ca -0.19 -0.92 -0.20 0.00 -0.04 0.00 0.00 63.50 62.15 1wfe n PRO 18 Cb 0.54 -0.87 0.07 0.00 -0.04 0.00 0.00 33.50 33.20 1wfe n PRO 18 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wfe n LYS 19 N -3.28 -6.22 -3.55 0.54 3.00 -1.26 -5.00 118.16 102.40 1wfe n LYS 19 Ca 0.08 0.76 -0.22 0.00 -0.00 0.00 0.00 58.31 58.93 1wfe n LYS 19 Cb 0.31 -5.64 -0.01 0.00 0.00 0.00 0.00 35.03 29.69 1wfe n LYS 19 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1wfe s THR 20 N -3.44 4.98 -0.02 3.15 -4.23 -1.26 -5.11 115.64 109.70 1wfe s THR 20 Ca 0.11 -0.68 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 1wfe s THR 20 Cb -0.05 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 1wfe s THR 20 CO 0.76 -0.43 -0.18 -0.62 -0.54 0.00 0.00 174.62 173.61 1wfe s ASP 21 N -4.04 3.77 0.24 3.99 2.15 -1.26 -5.00 116.67 116.51 1wfe s ASP 21 Ca 0.39 -0.31 0.08 0.00 0.43 0.00 0.00 52.55 53.13 1wfe s ASP 21 Cb -0.09 -0.68 0.74 0.00 -0.30 0.00 0.00 42.92 42.58 1wfe s ASP 21 CO 0.33 0.32 1.13 1.21 -0.17 0.00 0.00 175.17 177.99 1wfe n GLU 22 N 2.12 -0.05 -2.60 4.34 4.07 -1.26 -2.53 120.64 124.73 1wfe n GLU 22 Ca -0.17 1.04 -0.43 0.00 -0.06 0.00 0.00 57.16 57.54 1wfe n GLU 22 Cb 0.52 -1.74 -0.00 0.00 -0.06 0.00 0.00 31.44 30.16 1wfe n GLU 22 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1wfe s HIS 23 N -5.38 2.81 0.72 4.31 3.76 -1.26 -4.98 115.29 115.26 1wfe s HIS 23 Ca -0.08 -1.60 -0.14 0.00 -0.15 0.00 0.00 55.06 53.09 1wfe s HIS 23 Cb 0.23 -4.73 0.03 0.00 1.11 0.00 0.00 32.58 29.22 1wfe s HIS 23 CO 0.56 -1.79 1.14 0.21 -0.85 0.00 0.00 174.74 174.00 1wfe s LYS 24 N 4.12 2.38 -0.22 1.40 2.47 -1.05 -5.04 119.74 123.80 1wfe s LYS 24 Ca 0.53 1.47 -0.13 0.00 -1.56 0.00 0.00 55.97 56.28 1wfe s LYS 24 Cb 0.03 -1.89 0.07 0.00 -1.46 0.00 0.00 37.83 34.58 1wfe s LYS 24 CO 0.06 -1.59 0.54 -1.54 0.16 0.00 0.00 175.35 172.99 1wfe s SER 25 N -2.55 -0.70 -0.12 1.43 1.04 -1.26 -3.93 113.70 107.61 1wfe s SER 25 Ca 0.68 1.18 0.03 0.00 0.48 0.00 0.00 55.95 58.32 1wfe s SER 25 Cb -0.23 1.07 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1wfe s SER 25 CO 0.46 -0.21 -0.22 -0.31 0.98 0.00 0.00 173.24 173.94 1wfe s TYR 26 N 1.36 2.63 0.02 5.02 1.51 -1.01 -4.89 117.35 121.99 1wfe s TYR 26 Ca -0.09 -1.06 -0.30 0.00 -1.01 0.00 0.00 57.07 54.61 1wfe s TYR 26 Cb -0.06 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1wfe s TYR 26 CO -0.14 -0.44 1.11 -1.12 -1.11 0.00 0.00 175.55 173.85 1wfe s SER 27 N 0.47 7.19 1.06 2.29 0.01 -1.26 -3.11 113.70 120.35 1wfe s SER 27 Ca -0.15 1.84 -0.20 0.00 1.31 0.00 0.00 55.95 58.76 1wfe s SER 27 Cb -0.17 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1wfe s SER 27 CO 0.06 -0.41 -0.31 0.00 0.41 0.00 0.00 173.24 172.99 1wfe n SER 29 N -0.26 4.10 -4.50 0.00 2.88 -0.83 -4.92 113.62 110.08 1wfe n SER 29 Ca 0.01 0.00 -0.49 0.00 -1.33 0.00 0.00 58.87 57.06 1wfe n SER 29 Cb 0.63 0.86 -0.04 0.00 -0.75 0.00 0.00 64.21 64.91 1wfe n SER 29 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1wfe n PHE 30 N -1.91 0.51 -2.00 0.66 7.35 -1.26 -4.73 117.46 116.08 1wfe n PHE 30 Ca -0.04 0.85 -0.26 0.00 -0.76 0.00 0.00 57.45 57.25 1wfe n PHE 30 Cb 0.39 -2.12 -0.07 0.00 0.35 0.00 0.00 39.48 38.03 1wfe n PHE 30 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1wfe s LYS 31 N -0.79 2.32 0.00 -4.13 2.20 -1.26 -2.47 119.74 115.61 1wfe s LYS 31 Ca 0.69 -0.95 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 1wfe s LYS 31 Cb -0.91 -5.18 0.00 0.00 -1.51 0.00 0.00 37.83 30.22 1wfe s LYS 31 CO 0.56 -4.12 0.00 0.41 -0.36 0.00 0.00 175.35 171.84 1wfe n GLY 32 N 5.98 0.69 2.92 5.54 0.00 -1.26 -5.16 105.19 113.91 1wfe n GLY 32 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 1wfe n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfe n THR 34 N 3.36 1.24 -3.91 0.00 -2.24 -1.26 -4.63 114.28 106.85 1wfe n THR 34 Ca -0.16 -2.53 -0.35 0.00 -2.27 0.00 0.00 64.05 58.74 1wfe n THR 34 Cb 0.57 0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 69.19 1wfe n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wfe s ASP 35 N -3.00 6.34 0.27 3.42 1.11 -1.26 -4.90 116.67 118.65 1wfe s ASP 35 Ca 0.36 0.40 0.10 0.00 0.18 0.00 0.00 52.55 53.59 1wfe s ASP 35 Cb 0.37 -2.02 -0.05 0.00 1.07 0.00 0.00 42.92 42.30 1wfe s ASP 35 CO -0.08 0.33 -0.07 0.68 1.18 0.00 0.00 175.17 177.21 1wfe s VAL 36 N -1.18 3.14 0.03 -1.27 -7.23 -1.26 -1.92 120.40 110.71 1wfe s VAL 36 Ca 0.21 -2.06 -0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1wfe s VAL 36 Cb -0.12 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1wfe s VAL 36 CO 0.12 -0.37 -0.03 -1.61 -0.31 0.00 0.00 175.10 172.90 1wfe s GLU 37 N -3.59 0.39 0.24 4.82 8.01 -1.18 -4.90 118.70 122.50 1wfe s GLU 37 Ca 0.31 -0.76 -0.05 0.00 0.01 0.00 0.00 54.97 54.48 1wfe s GLU 37 Cb -0.06 0.14 0.45 0.00 -4.31 0.00 0.00 34.13 30.35 1wfe s GLU 37 CO 0.18 -0.07 1.71 -0.07 0.01 0.00 0.00 175.26 177.02 1wfe h LEU 38 N 4.26 0.15-10.50 1.80 3.38 -1.94 -2.68 115.31 109.79 1wfe h LEU 38 Ca -0.32 0.13 -0.49 0.00 0.09 0.00 0.00 57.88 57.28 1wfe h LEU 38 Cb 1.19 0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.09 1wfe h LEU 38 CO 0.47 0.04 -0.19 0.68 0.09 0.00 0.00 178.44 179.52 1wfe s VAL 39 N -6.03 2.31 -0.28 1.22 -7.23 -1.26 -4.13 120.40 105.00 1wfe s VAL 39 Ca -0.13 -1.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1wfe s VAL 39 Cb 0.21 -2.42 0.06 0.00 0.56 0.00 0.00 36.38 34.79 1wfe s VAL 39 CO 0.76 0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 175.48 1wfe s ALA 40 N -2.59 2.65 -0.81 1.32 0.00 -1.26 -4.47 121.76 116.60 1wfe s ALA 40 Ca 0.55 -1.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.47 1wfe s ALA 40 Cb -0.06 -1.71 0.08 0.00 0.00 0.00 0.00 23.12 21.44 1wfe s ALA 40 CO 0.34 -1.25 1.14 0.08 0.00 0.00 0.00 175.76 176.06 1wfe s VAL 41 N 1.13 4.31 0.23 0.00 1.01 -1.21 -4.93 120.40 120.93 1wfe s VAL 41 Ca -0.07 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1wfe s VAL 41 Cb -0.20 -4.81 -0.08 0.00 0.00 0.00 0.00 36.38 31.29 1wfe s VAL 41 CO -0.04 -1.60 0.76 -0.63 0.00 0.00 0.00 175.10 173.58 1wfe s ILE 42 N 3.99 4.50 -0.22 2.22 -1.09 -1.26 -0.25 121.20 129.09 1wfe s ILE 42 Ca 0.31 1.41 -0.12 0.00 -2.23 0.00 0.00 60.65 60.02 1wfe s ILE 42 Cb -0.09 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1wfe s ILE 42 CO 0.01 0.24 0.21 0.00 -1.23 0.00 0.00 174.94 174.17 1wfe n PRO 44 N 4.12 0.49 -0.01 0.00 -0.04 -1.26 0.55 135.00 138.84 1wfe n PRO 44 Ca -0.14 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.29 1wfe n PRO 44 Cb 0.52 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 1wfe n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wfe n TYR 45 N -0.72 0.00 1.16 0.54 4.02 -1.26 -4.74 117.16 116.16 1wfe n TYR 45 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.07 1wfe n TYR 45 Cb 0.02 -0.16 0.31 0.00 -0.02 0.00 0.00 39.34 39.50 1wfe n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfe n GLU 47 N -0.89 -5.37 -4.25 0.00 -0.58 0.19 -4.85 120.64 104.89 1wfe n GLU 47 Ca 0.10 0.64 -0.22 0.00 -0.42 0.00 0.00 57.16 57.27 1wfe n GLU 47 Cb 0.35 -5.35 -0.12 0.00 -0.57 0.00 0.00 31.44 25.75 1wfe n GLU 47 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1wfe s LYS 48 N -6.13 1.02 -0.12 3.49 1.02 -1.25 -4.73 119.74 113.05 1wfe s LYS 48 Ca 0.21 -1.11 -0.20 0.00 0.02 0.00 0.00 55.97 54.89 1wfe s LYS 48 Cb -0.10 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 36.00 1wfe s LYS 48 CO 0.81 0.26 0.57 0.54 -0.92 0.00 0.00 175.35 176.61 1wfe s ASN 49 N -1.91 6.78 0.33 2.83 4.22 -1.26 -0.85 114.94 125.08 1wfe s ASN 49 Ca 0.04 0.93 0.03 0.00 -2.14 0.00 0.00 52.86 51.72 1wfe s ASN 49 Cb -0.10 -2.34 -0.05 0.00 1.28 0.00 0.00 41.25 40.05 1wfe s ASN 49 CO 0.04 -0.08 0.08 -0.36 -2.04 0.00 0.00 177.10 174.74 1wfe s PHE 50 N 0.91 1.83 0.23 1.54 0.40 0.65 -1.97 117.98 121.57 1wfe s PHE 50 Ca 0.30 -1.09 -0.16 0.00 -0.60 0.00 0.00 56.93 55.39 1wfe s PHE 50 Cb -0.16 -1.17 -0.08 0.00 0.51 0.00 0.00 43.02 42.12 1wfe s PHE 50 CO 0.13 -0.14 0.66 0.00 0.70 0.00 0.00 175.22 176.57 1wfe n LEU 52 N 0.34 0.19 -0.16 0.00 7.99 -1.26 0.24 117.00 124.35 1wfe n LEU 52 Ca -0.01 1.31 -0.08 0.00 -0.01 0.00 0.00 56.01 57.22 1wfe n LEU 52 Cb 0.52 -0.60 0.01 0.00 -0.11 0.00 0.00 43.42 43.24 1wfe n LEU 52 CO 0.43 -1.43 1.00 0.03 -1.51 0.00 0.00 177.39 175.90 1wfe h ARG 53 N 0.00 0.67 -0.77 3.23 2.47 -2.02 -2.83 114.38 115.13 1wfe h ARG 53 Ca 0.62 -0.09 -0.46 0.00 -1.26 0.00 0.00 59.98 58.79 1wfe h ARG 53 Cb 1.59 -0.13 -0.26 0.00 -1.65 0.00 0.00 29.97 29.52 1wfe h ARG 53 CO -0.63 0.54 0.30 0.72 0.56 0.00 0.00 179.97 181.46 1wfe n HIS 54 N -4.66 2.48 -0.04 3.04 8.25 0.66 -4.61 115.22 120.34 1wfe n HIS 54 Ca 0.02 -2.14 -0.15 0.00 -0.26 0.00 0.00 57.72 55.18 1wfe n HIS 54 Cb 0.09 -0.87 -0.08 0.00 1.12 0.00 0.00 29.99 30.25 1wfe n HIS 54 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1wfe h ARG 55 N 1.42 0.43 -7.03 -0.41 0.11 -0.14 -3.38 114.38 105.37 1wfe h ARG 55 Ca 0.47 -0.32 -0.48 0.00 0.10 0.00 0.00 59.98 59.76 1wfe h ARG 55 Cb 1.79 0.06 0.22 0.00 1.11 0.00 0.00 29.97 33.14 1wfe h ARG 55 CO 0.98 0.94 -0.22 1.58 0.10 0.00 0.00 179.97 183.35 1wfe n HIS 56 N -4.37 -0.75 0.00 4.08 -0.00 -1.26 -4.90 115.22 108.02 1wfe n HIS 56 Ca -0.08 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1wfe n HIS 56 Cb 0.51 -1.77 0.00 0.00 -0.12 0.00 0.00 29.99 28.61 1wfe n HIS 56 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wfe n GLN 57 N -3.79 0.00 -0.33 1.57 6.02 -1.26 -3.15 117.38 116.44 1wfe n GLN 57 Ca 0.06 0.25 0.21 0.00 -0.01 0.00 0.00 57.00 57.51 1wfe n GLN 57 Cb 0.55 -1.05 0.43 0.00 1.02 0.00 0.00 30.24 31.19 1wfe n GLN 57 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wfe h SER 58 N 0.00 0.47 -0.61 1.08 0.87 -1.94 0.72 113.55 114.14 1wfe h SER 58 Ca 0.00 0.18 0.12 0.00 -1.23 0.00 0.00 61.79 60.86 1wfe h SER 58 Cb 0.00 0.14 -0.12 0.00 -0.44 0.00 0.00 62.40 61.98 1wfe h SER 58 CO 0.00 -0.10 -0.24 0.44 -0.53 0.00 0.00 176.83 176.40 1wfe h ASP 59 N 0.35 -0.87 -0.65 6.23 3.32 -1.91 0.43 116.42 123.33 1wfe h ASP 59 Ca 0.69 0.21 -0.28 0.00 0.02 0.00 0.00 57.03 57.68 1wfe h ASP 59 Cb 1.52 0.48 -0.16 0.00 0.22 0.00 0.00 39.33 41.39 1wfe h ASP 59 CO -0.59 -0.26 0.35 0.00 -1.72 0.00 0.00 179.24 177.02 1wfe n HIS 60 N -5.44 2.05 -4.22 4.55 1.44 0.20 -4.91 115.22 108.90 1wfe n HIS 60 Ca 0.06 -1.23 -0.37 0.00 -2.01 0.00 0.00 57.72 54.18 1wfe n HIS 60 Cb 0.35 -0.66 -0.05 0.00 0.12 0.00 0.00 29.99 29.74 1wfe n HIS 60 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wfe n ASP 61 N -0.39 -0.99 -4.69 4.39 8.00 0.15 -4.67 116.55 118.36 1wfe n ASP 61 Ca 0.37 -1.28 -0.62 0.00 0.71 0.00 0.00 54.79 53.98 1wfe n ASP 61 Cb 1.25 -1.67 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wfe h GLU 63 N 6.64 0.95 -0.84 0.00 -0.00 -1.91 -2.58 114.58 116.85 1wfe h GLU 63 Ca -0.43 -0.13 0.12 0.00 -0.00 0.00 0.00 59.36 58.92 1wfe h GLU 63 Cb 1.34 -0.17 -0.08 0.00 -0.00 0.00 0.00 28.75 29.84 1wfe h GLU 63 CO 0.98 0.74 0.45 0.87 -0.00 0.00 0.00 179.01 182.06 1wfe h LYS 64 N 0.94 0.68 -5.86 1.06 1.79 -1.91 -3.43 116.57 109.84 1wfe h LYS 64 Ca 0.23 -0.04 -0.54 0.00 -2.18 0.00 0.00 60.65 58.12 1wfe h LYS 64 Cb 0.12 -0.15 0.23 0.00 -1.58 0.00 0.00 32.23 30.85 1wfe h LYS 64 CO -0.03 0.45 -1.79 1.28 -1.08 0.00 0.00 179.45 178.28 1wfe n LEU 65 N -4.81 -5.81 -1.91 2.94 4.77 -0.97 -4.68 117.00 106.52 1wfe n LEU 65 Ca 0.15 0.20 -0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1wfe n LEU 65 Cb 0.36 -0.75 -0.12 0.00 -2.33 0.00 0.00 43.42 40.58 1wfe n LEU 65 CO 0.24 -5.86 1.42 -0.62 -1.33 0.00 0.00 177.39 171.24 1wfe n GLU 66 N 2.40 1.68 -3.68 3.23 -0.58 -1.26 -4.73 120.64 117.69 1wfe n GLU 66 Ca -0.02 -0.73 -0.23 0.00 -0.42 0.00 0.00 57.16 55.77 1wfe n GLU 66 Cb 0.54 -1.76 -0.18 0.00 -0.57 0.00 0.00 31.44 29.48 1wfe n GLU 66 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wfe s VAL 67 N 0.88 0.05 -0.16 2.62 1.01 -1.26 -5.11 120.40 118.44 1wfe s VAL 67 Ca 0.49 0.16 -0.35 0.00 0.00 0.00 0.00 61.98 62.28 1wfe s VAL 67 Cb 0.23 -0.40 -0.12 0.00 0.00 0.00 0.00 36.38 36.10 1wfe s VAL 67 CO 0.00 0.07 1.94 0.00 0.00 0.00 0.00 175.10 177.10 1wfe n ALA 68 N 5.24 0.84 -1.61 5.51 0.00 -1.26 -4.88 120.51 124.35 1wfe n ALA 68 Ca -0.05 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1wfe n ALA 68 Cb 0.50 -2.50 0.01 0.00 0.00 0.00 0.00 19.45 17.45 1wfe n ALA 68 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wfe n LYS 69 N 6.89 1.38 0.00 0.00 0.00 -1.26 -4.83 118.16 120.34 1wfe n LYS 69 Ca 0.26 0.49 0.08 0.00 -0.00 0.00 0.00 58.31 59.14 1wfe n LYS 69 Cb 0.28 -2.03 0.44 0.00 -0.00 0.00 0.00 35.03 33.72 1wfe n LYS 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1wfe n PRO 70 N 0.23 0.41 -1.66 -1.58 -0.04 -1.26 -4.82 135.00 126.28 1wfe n PRO 70 Ca 0.09 0.04 -0.54 0.00 -0.04 0.00 0.00 63.50 63.05 1wfe n PRO 70 Cb 0.38 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 1wfe n PRO 70 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wfe n ARG 71 N -1.08 1.38 -0.16 0.54 1.74 -1.26 -4.84 116.66 112.98 1wfe n ARG 71 Ca 0.10 0.49 -0.02 0.00 -0.77 0.00 0.00 57.85 57.66 1wfe n ARG 71 Cb 0.07 -2.28 0.07 0.00 -1.02 0.00 0.00 32.46 29.30 1wfe n ARG 71 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1wfe h MET 72 N 8.45 0.20 -6.99 5.56 1.85 -2.03 -3.41 114.93 118.56 1wfe h MET 72 Ca -0.44 -0.01 -0.46 0.00 -0.61 0.00 0.00 59.70 58.18 1wfe h MET 72 Cb 1.31 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.28 1wfe h MET 72 CO 0.97 0.13 0.36 0.00 -0.40 0.00 0.00 176.91 177.97 1wfe s ALA 73 N -6.14 3.09 -0.22 0.39 0.00 -1.26 -5.06 121.76 112.56 1wfe s ALA 73 Ca -0.13 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 1wfe s ALA 73 Cb 0.16 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 20.16 1wfe s ALA 73 CO 0.73 0.06 0.08 0.00 0.00 0.00 0.00 175.76 176.62 1wfe s ALA 74 N -1.89 0.84 0.15 0.00 0.00 -1.26 -5.09 121.76 114.51 1wfe s ALA 74 Ca 0.58 -0.79 -0.34 0.00 0.00 0.00 0.00 51.96 51.42 1wfe s ALA 74 Cb -0.15 -1.23 -0.16 0.00 0.00 0.00 0.00 23.12 21.58 1wfe s ALA 74 CO 0.19 -1.32 1.16 2.41 0.00 0.00 0.00 175.76 178.20 1wfe n THR 75 N 5.12 0.75 -0.07 0.00 -1.04 -1.26 -4.89 114.28 112.90 1wfe n THR 75 Ca -0.07 -0.19 -0.08 0.00 -2.04 0.00 0.00 64.05 61.67 1wfe n THR 75 Cb 0.46 -0.76 -0.08 0.00 -1.82 0.00 0.00 70.33 68.13 1wfe n THR 75 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1wfe n GLN 76 N 1.82 1.22 -3.65 -2.82 -0.06 -1.26 -4.90 117.38 107.72 1wfe n GLN 76 Ca 0.16 0.04 -0.39 0.00 -2.00 0.00 0.00 57.00 54.81 1wfe n GLN 76 Cb 0.23 -1.30 -0.11 0.00 -4.06 0.00 0.00 30.24 25.00 1wfe n GLN 76 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1wfe s LYS 77 N -2.29 2.63 -0.54 3.69 2.20 -1.26 -4.96 119.74 119.21 1wfe s LYS 77 Ca -0.13 -1.31 0.02 0.00 -0.36 0.00 0.00 55.97 54.19 1wfe s LYS 77 Cb 0.04 -3.66 0.42 0.00 -1.51 0.00 0.00 37.83 33.12 1wfe s LYS 77 CO 0.41 -0.82 1.55 1.28 -0.36 0.00 0.00 175.35 177.41 1wfe n LEU 78 N 4.89 6.09 -1.47 5.43 4.77 -1.26 -4.78 117.00 130.66 1wfe n LEU 78 Ca -0.11 -4.78 -0.05 0.00 -0.03 0.00 0.00 56.01 51.04 1wfe n LEU 78 Cb 0.44 -0.68 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1wfe n LEU 78 CO 0.36 1.92 0.91 1.33 -1.33 0.00 0.00 177.39 180.57 1wfe n VAL 79 N -0.66 1.92 -2.42 4.08 0.24 -1.26 -4.40 118.33 115.83 1wfe n VAL 79 Ca 0.49 -0.67 -0.37 0.00 -2.04 0.00 0.00 64.34 61.75 1wfe n VAL 79 Cb 0.66 -1.25 -0.03 0.00 -1.47 0.00 0.00 33.84 31.75 1wfe n VAL 79 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1wfe s ARG 80 N -0.58 3.37 -0.30 7.34 6.06 -1.26 -4.83 118.95 128.75 1wfe s ARG 80 Ca 0.10 -1.17 -0.12 0.00 -2.50 0.00 0.00 55.73 52.04 1wfe s ARG 80 Cb 0.08 -5.33 0.16 0.00 0.06 0.00 0.00 34.95 29.92 1wfe s ARG 80 CO 0.01 -2.62 0.89 -1.54 -2.50 0.00 0.00 175.30 169.53 1wfe s SER 81 N 5.55 -0.77 0.32 -2.12 1.04 -1.26 -4.69 113.70 111.77 1wfe s SER 81 Ca 0.55 0.88 0.05 0.00 0.48 0.00 0.00 55.95 57.91 1wfe s SER 81 Cb -0.00 1.81 -0.02 0.00 0.10 0.00 0.00 66.02 67.90 1wfe s SER 81 CO -0.02 -0.15 0.19 0.61 0.98 0.00 0.00 173.24 174.86 1wfe n GLY 82 N 5.19 3.18 3.55 7.32 0.00 -1.26 -5.09 105.19 118.09 1wfe n GLY 82 Ca -0.08 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 1wfe n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfe s PRO 83 N -3.26 2.61 -0.29 1.61 0.04 -1.26 -4.88 135.00 129.57 1wfe s PRO 83 Ca 0.27 0.49 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 1wfe s PRO 83 Cb 0.01 -4.48 0.16 0.00 0.04 0.00 0.00 34.50 30.23 1wfe s PRO 83 CO 0.19 -2.83 1.04 -1.54 0.04 0.00 0.00 177.00 173.91 1wfe s SER 84 N 8.11 -0.42 0.05 6.66 1.04 -1.26 -5.13 113.70 122.75 1wfe s SER 84 Ca 0.68 0.65 -0.37 0.00 0.48 0.00 0.00 55.95 57.39 1wfe s SER 84 Cb -0.12 1.23 -0.19 0.00 0.10 0.00 0.00 66.02 67.04 1wfe s SER 84 CO 0.18 -0.10 0.94 -0.24 0.98 0.00 0.00 173.24 174.99 1wfe n SER 85 N 3.79 -0.28 0.00 7.02 2.88 -1.26 -5.22 113.62 120.55 1wfe n SER 85 Ca -0.17 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1wfe n SER 85 Cb 0.57 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1wfe n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42