#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfx s THR 41 N 0.00 4.88 0.58 -5.08 -4.23 -1.26 -5.04 115.64 105.49 2wfx s THR 41 Ca 0.00 0.50 -0.18 0.00 -1.18 0.00 0.00 61.69 60.83 2wfx s THR 41 Cb 0.00 -4.09 -0.08 0.00 1.34 0.00 0.00 72.50 69.67 2wfx s THR 41 CO 0.00 -0.35 0.59 -0.81 -0.54 0.00 0.00 174.62 173.51 2wfx n PRO 42 N 6.07 0.56 -2.03 3.99 -0.04 -1.26 -4.91 135.00 137.39 2wfx n PRO 42 Ca -0.01 0.22 -0.36 0.00 -0.04 0.00 0.00 63.50 63.31 2wfx n PRO 42 Cb 0.48 -1.77 0.03 0.00 -0.04 0.00 0.00 33.50 32.20 2wfx n PRO 42 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wfx s LEU 43 N 0.29 3.69 0.60 1.53 1.43 -0.60 -4.85 118.68 120.78 2wfx s LEU 43 Ca 0.70 2.40 -0.07 0.00 -1.03 0.00 0.00 54.13 56.12 2wfx s LEU 43 Cb -0.44 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.21 2wfx s LEU 43 CO 0.53 -1.55 0.94 0.00 0.23 0.00 0.00 176.35 176.50 2wfx s ALA 44 N -1.58 3.21 0.23 4.21 0.00 -1.26 -4.58 121.76 122.00 2wfx s ALA 44 Ca 0.76 -0.53 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 2wfx s ALA 44 Cb -0.31 -2.74 -0.14 0.00 0.00 0.00 0.00 23.12 19.94 2wfx s ALA 44 CO 0.33 -0.79 1.39 0.98 0.00 0.00 0.00 175.76 177.67 2wfx n TYR 45 N -2.63 2.08 -2.12 0.00 9.36 -1.26 -1.59 117.16 121.00 2wfx n TYR 45 Ca 0.04 0.45 -0.17 0.00 3.32 0.00 0.00 57.90 61.55 2wfx n TYR 45 Cb 0.57 -2.44 -0.03 0.00 -0.63 0.00 0.00 39.34 36.81 2wfx n TYR 45 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2wfx n LYS 46 N 2.00 -1.77 -3.98 2.98 4.76 -1.05 -4.97 118.16 116.14 2wfx n LYS 46 Ca 0.12 0.86 -0.31 0.00 -2.87 0.00 0.00 58.31 56.10 2wfx n LYS 46 Cb 0.31 -5.39 -0.05 0.00 -1.84 0.00 0.00 35.03 28.06 2wfx n LYS 46 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2wfx s GLN 47 N -4.52 3.24 0.02 1.97 0.74 -0.62 -4.87 119.66 115.62 2wfx s GLN 47 Ca 0.00 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 54.92 2wfx s GLN 47 Cb 0.00 -2.94 -0.02 0.00 1.10 0.00 0.00 33.01 31.15 2wfx s GLN 47 CO 0.00 0.61 -0.03 -0.59 -0.55 0.00 0.00 175.29 174.73 2wfx s PHE 48 N -1.41 0.29 -0.05 1.67 -0.71 -1.26 -1.18 117.98 115.33 2wfx s PHE 48 Ca 0.31 -0.41 0.01 0.00 -1.04 0.00 0.00 56.93 55.79 2wfx s PHE 48 Cb -0.13 -0.20 0.02 0.00 -1.21 0.00 0.00 43.02 41.51 2wfx s PHE 48 CO 0.23 -0.13 -0.04 0.42 -1.34 0.00 0.00 175.22 174.36 2wfx s ILE 49 N -1.13 0.56 0.91 -4.49 -1.09 -0.76 -3.38 121.20 111.81 2wfx s ILE 49 Ca -0.11 -0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 2wfx s ILE 49 Cb -0.08 -0.60 0.14 0.00 -1.58 0.00 0.00 42.46 40.34 2wfx s ILE 49 CO -0.01 0.24 1.10 -2.84 -1.23 0.00 0.00 174.94 172.21 2wfx s PRO 50 N 1.10 1.15 -0.66 2.79 0.02 -1.26 -2.16 135.00 135.98 2wfx s PRO 50 Ca -0.08 1.15 -0.07 0.00 0.02 0.00 0.00 61.00 62.02 2wfx s PRO 50 Cb -0.14 -1.77 -0.16 0.00 0.02 0.00 0.00 34.50 32.45 2wfx s PRO 50 CO -0.01 -2.41 2.94 -1.71 -0.33 0.00 0.00 177.00 175.48 2wfx n ASN 51 N -4.04 5.89 -3.33 2.53 5.15 -1.22 -4.79 115.26 115.46 2wfx n ASN 51 Ca 0.09 -2.41 -0.17 0.00 -0.60 0.00 0.00 54.58 51.49 2wfx n ASN 51 Cb 0.53 -1.30 -0.07 0.00 -0.53 0.00 0.00 39.78 38.42 2wfx n ASN 51 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2wfx s VAL 52 N 1.91 0.00 0.55 3.44 -7.23 -1.26 -5.11 120.40 112.70 2wfx s VAL 52 Ca 0.58 -1.84 -0.20 0.00 -1.81 0.00 0.00 61.98 58.71 2wfx s VAL 52 Cb 0.22 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 2wfx s VAL 52 CO -0.02 0.00 1.21 0.00 -0.31 0.00 0.00 175.10 175.98 2wfx s ALA 53 N -3.30 2.69 0.37 1.32 0.00 -1.26 -4.93 121.76 116.65 2wfx s ALA 53 Ca 0.37 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.41 2wfx s ALA 53 Cb 0.01 -3.44 0.73 0.00 0.00 0.00 0.00 23.12 20.42 2wfx s ALA 53 CO 0.24 -1.05 1.96 1.49 0.00 0.00 0.00 175.76 178.40 2wfx h GLU 54 N 1.24 0.51 -2.03 0.00 4.81 -1.96 -3.24 114.58 113.91 2wfx h GLU 54 Ca -0.50 -0.07 -0.74 0.00 -0.13 0.00 0.00 59.36 57.92 2wfx h GLU 54 Cb 1.28 -0.09 -0.31 0.00 0.63 0.00 0.00 28.75 30.27 2wfx h GLU 54 CO 0.57 0.46 0.62 1.63 -0.73 0.00 0.00 179.01 181.56 2wfx n LYS 55 N -4.36 3.72 -4.52 1.92 5.02 -1.26 -0.69 118.16 118.00 2wfx n LYS 55 Ca 0.02 -4.15 -0.25 0.00 -2.02 0.00 0.00 58.31 51.91 2wfx n LYS 55 Cb 0.17 -2.32 -0.11 0.00 -0.02 0.00 0.00 35.03 32.75 2wfx n LYS 55 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wfx s THR 56 N -4.86 2.00 0.34 -0.18 -4.23 -1.22 -3.87 115.64 103.62 2wfx s THR 56 Ca 0.47 -2.15 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 2wfx s THR 56 Cb 0.34 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.84 2wfx s THR 56 CO -0.27 -0.19 1.91 -0.07 -0.54 0.00 0.00 174.62 175.46 2wfx h LEU 57 N 2.06 0.73 -0.48 4.79 -0.00 -1.92 0.45 115.31 120.95 2wfx h LEU 57 Ca -0.42 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2wfx h LEU 57 Cb 1.24 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2wfx h LEU 57 CO 0.71 0.44 0.00 1.23 -0.00 0.00 0.00 178.44 180.82 2wfx h GLY 58 N 0.82 0.00 0.00 0.83 0.00 -1.96 -3.44 103.07 99.32 2wfx h GLY 58 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2wfx h GLY 58 CO -0.15 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.39 2wfx n ALA 59 N -2.04 0.00 0.89 3.60 0.00 0.03 -4.85 120.51 118.14 2wfx n ALA 59 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 2wfx n ALA 59 Cb 0.43 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.23 2wfx n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wfx n SER 60 N 0.00 0.43 0.00 0.00 7.64 0.14 -4.76 113.62 117.06 2wfx n SER 60 Ca 0.00 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2wfx n SER 60 Cb 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2wfx n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wfx n GLY 61 N 1.45 0.74 3.68 0.23 0.00 -0.52 -3.71 105.19 107.06 2wfx n GLY 61 Ca 0.05 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 2wfx n GLY 61 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wfx s ARG 62 N -2.13 1.14 -0.08 1.61 1.70 -1.25 -4.10 118.95 115.83 2wfx s ARG 62 Ca 0.00 1.56 -0.28 0.00 -0.47 0.00 0.00 55.73 56.54 2wfx s ARG 62 Cb 0.00 -1.74 -0.02 0.00 -0.57 0.00 0.00 34.95 32.62 2wfx s ARG 62 CO 0.00 -2.54 0.90 -0.47 -1.08 0.00 0.00 175.30 172.11 2wfx s TYR 63 N -2.61 3.55 -0.12 5.89 5.04 -1.26 -4.98 117.35 122.86 2wfx s TYR 63 Ca 0.67 1.48 -0.06 0.00 -2.44 0.00 0.00 57.07 56.72 2wfx s TYR 63 Cb -0.23 -3.06 -0.05 0.00 0.35 0.00 0.00 41.96 38.98 2wfx s TYR 63 CO 0.57 -0.11 0.07 0.93 -1.34 0.00 0.00 175.55 175.67 2wfx h GLU 64 N 7.00 0.00 0.00 4.97 4.39 -1.95 -3.51 114.58 125.49 2wfx h GLU 64 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2wfx h GLU 64 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2wfx h GLU 64 CO 0.80 0.16 0.00 0.41 -1.16 0.00 0.00 179.01 179.22 2wfx n GLY 65 N 1.72 0.69 3.63 -3.84 0.00 -1.26 -5.11 105.19 101.01 2wfx n GLY 65 Ca -0.04 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 2wfx n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wfx s LYS 66 N -2.00 3.95 -1.06 1.61 2.20 -1.26 -4.60 119.74 118.58 2wfx s LYS 66 Ca 0.00 0.93 -0.16 0.00 -0.36 0.00 0.00 55.97 56.38 2wfx s LYS 66 Cb 0.00 -3.80 0.16 0.00 -1.51 0.00 0.00 37.83 32.68 2wfx s LYS 66 CO 0.00 -1.06 1.26 0.42 -0.36 0.00 0.00 175.35 175.61 2wfx s ILE 67 N 3.94 4.94 1.06 5.43 1.01 -1.08 -5.01 121.20 131.48 2wfx s ILE 67 Ca 0.47 -2.16 -0.15 0.00 0.00 0.00 0.00 60.65 58.80 2wfx s ILE 67 Cb -0.11 -4.83 0.22 0.00 0.01 0.00 0.00 42.46 37.75 2wfx s ILE 67 CO 0.21 -1.53 1.14 0.42 0.00 0.00 0.00 174.94 175.17 2wfx s THR 68 N 1.96 1.85 0.07 2.92 -4.23 -1.26 -4.89 115.64 112.05 2wfx s THR 68 Ca 0.37 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.69 2wfx s THR 68 Cb -0.04 -2.61 -0.11 0.00 1.34 0.00 0.00 72.50 71.08 2wfx s THR 68 CO -0.05 0.00 1.43 0.03 -0.54 0.00 0.00 174.62 175.49 2wfx h ARG 69 N -2.05 0.45 0.00 3.99 3.08 -1.96 -2.90 114.38 114.99 2wfx h ARG 69 Ca -0.49 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.36 2wfx h ARG 69 Cb 1.31 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2wfx h ARG 69 CO 0.48 0.73 0.00 0.27 -1.07 0.00 0.00 179.97 180.38 2wfx n ASN 70 N -4.54 0.00 -4.73 7.04 0.23 -1.26 -4.77 115.26 107.23 2wfx n ASN 70 Ca -0.05 -0.32 -0.41 0.00 -0.53 0.00 0.00 54.58 53.27 2wfx n ASN 70 Cb 0.33 -0.20 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 2wfx n ASN 70 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wfx s SER 71 N -2.39 7.11 0.42 0.53 0.15 -1.09 -4.93 113.70 113.48 2wfx s SER 71 Ca 0.30 2.15 0.11 0.00 0.70 0.00 0.00 55.95 59.21 2wfx s SER 71 Cb 0.18 -2.60 0.95 0.00 -1.71 0.00 0.00 66.02 62.84 2wfx s SER 71 CO 0.37 -0.38 1.99 -0.33 1.20 0.00 0.00 173.24 176.09 2wfx h GLU 72 N 5.69 0.48 0.00 5.44 3.07 -1.87 -0.98 114.58 126.42 2wfx h GLU 72 Ca -0.44 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2wfx h GLU 72 Cb 1.21 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2wfx h GLU 72 CO 0.76 0.32 0.00 -2.13 -1.40 0.00 0.00 179.01 176.56 2wfx n ARG 73 N -4.48 0.42 0.02 2.33 0.63 -1.26 -3.45 116.66 110.88 2wfx n ARG 73 Ca 0.09 0.05 0.04 0.00 -0.92 0.00 0.00 57.85 57.10 2wfx n ARG 73 Cb 0.29 -1.50 0.43 0.00 0.45 0.00 0.00 32.46 32.13 2wfx n ARG 73 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 2wfx h PHE 74 N 0.00 0.47 0.00 -0.14 3.04 -1.40 -2.64 116.94 116.27 2wfx h PHE 74 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2wfx h PHE 74 Cb 0.05 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.40 2wfx h PHE 74 CO 0.00 0.32 0.00 1.63 -2.02 0.00 0.00 178.31 178.24 2wfx n LYS 75 N -4.46 0.50 0.00 1.11 4.76 -1.22 -0.94 118.16 117.91 2wfx n LYS 75 Ca 0.02 0.02 0.14 0.00 -2.87 0.00 0.00 58.31 55.63 2wfx n LYS 75 Cb 0.08 -1.50 0.63 0.00 -1.84 0.00 0.00 35.03 32.41 2wfx n LYS 75 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wfx n GLU 76 N -1.05 0.30 -3.56 1.97 1.02 -1.00 -4.65 120.64 113.67 2wfx n GLU 76 Ca 0.12 -0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 2wfx n GLU 76 Cb 0.07 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.90 2wfx n GLU 76 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wfx s LEU 77 N -2.73 5.33 -0.04 -4.62 1.43 -0.11 -4.36 118.68 113.58 2wfx s LEU 77 Ca 0.22 -1.57 -0.02 0.00 -1.03 0.00 0.00 54.13 51.73 2wfx s LEU 77 Cb 0.20 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2wfx s LEU 77 CO 0.51 -0.59 0.09 0.42 0.23 0.00 0.00 176.35 177.02 2wfx s THR 78 N 1.44 4.91 0.73 5.49 -4.23 -1.13 -4.71 115.64 118.15 2wfx s THR 78 Ca 0.04 -0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 60.16 2wfx s THR 78 Cb -0.24 -3.21 0.04 0.00 1.34 0.00 0.00 72.50 70.43 2wfx s THR 78 CO 0.02 0.43 1.25 -2.84 -0.54 0.00 0.00 174.62 172.95 2wfx s PRO 79 N -1.51 2.08 -0.22 3.99 0.02 -1.26 -2.85 135.00 135.24 2wfx s PRO 79 Ca 0.21 1.91 -0.00 0.00 0.02 0.00 0.00 61.00 63.14 2wfx s PRO 79 Cb -0.12 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.62 2wfx s PRO 79 CO 0.11 -1.92 -0.12 1.21 -0.33 0.00 0.00 177.00 175.95 2wfx s ASN 80 N -1.78 3.86 -0.36 2.53 3.84 -0.80 -4.91 114.94 117.33 2wfx s ASN 80 Ca 0.78 -0.78 0.06 0.00 0.21 0.00 0.00 52.86 53.13 2wfx s ASN 80 Cb -0.33 -1.59 0.47 0.00 -0.55 0.00 0.00 41.25 39.25 2wfx s ASN 80 CO 0.45 -0.07 1.44 -1.22 -2.79 0.00 0.00 177.10 174.91 2wfx n TYR 81 N 4.64 2.19 -2.01 0.43 4.01 -1.26 -4.86 117.16 120.29 2wfx n TYR 81 Ca -0.18 -2.16 -0.43 0.00 -0.16 0.00 0.00 57.90 54.97 2wfx n TYR 81 Cb 0.48 -0.59 -0.03 0.00 -0.31 0.00 0.00 39.34 38.89 2wfx n TYR 81 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2wfx s ASN 82 N -2.93 5.96 0.61 7.72 3.84 -1.26 -4.86 114.94 124.02 2wfx s ASN 82 Ca 0.51 1.35 0.29 0.00 0.21 0.00 0.00 52.86 55.22 2wfx s ASN 82 Cb 0.43 -2.53 1.60 0.00 -0.55 0.00 0.00 41.25 40.20 2wfx s ASN 82 CO 0.01 -1.64 1.99 1.55 -2.79 0.00 0.00 177.10 176.21 2wfx h PRO 83 N 12.55 0.00 -0.95 0.43 0.13 -2.04 -0.97 132.00 141.16 2wfx h PRO 83 Ca -0.34 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.55 2wfx h PRO 83 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 2wfx h PRO 83 CO 1.03 0.00 0.31 -0.25 -0.23 0.00 0.00 178.00 178.85 2wfx n ASP 84 N -3.55 3.52 -3.83 1.44 8.00 -1.26 -4.83 116.55 116.04 2wfx n ASP 84 Ca 0.03 -2.86 -0.14 0.00 0.71 0.00 0.00 54.79 52.54 2wfx n ASP 84 Cb 0.47 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.74 2wfx n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wfx s ILE 85 N -1.97 -0.00 -0.28 0.53 1.01 -0.37 -3.98 121.20 116.14 2wfx s ILE 85 Ca 0.33 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 2wfx s ILE 85 Cb 0.28 -0.06 -0.03 0.00 0.01 0.00 0.00 42.46 42.65 2wfx s ILE 85 CO 0.07 0.05 0.15 -0.63 0.00 0.00 0.00 174.94 174.58 2wfx s ILE 86 N 0.49 4.91 -0.23 2.92 1.09 0.26 -4.90 121.20 125.73 2wfx s ILE 86 Ca -0.04 -0.06 -0.07 0.00 -1.10 0.00 0.00 60.65 59.37 2wfx s ILE 86 Cb -0.06 -3.37 -0.03 0.00 -1.06 0.00 0.00 42.46 37.93 2wfx s ILE 86 CO -0.01 0.22 0.07 -0.36 -0.10 0.00 0.00 174.94 174.75 2wfx s PHE 87 N 1.69 3.12 0.13 3.97 0.08 -1.26 0.47 117.98 126.19 2wfx s PHE 87 Ca 0.06 -0.26 -0.17 0.00 0.12 0.00 0.00 56.93 56.68 2wfx s PHE 87 Cb -0.16 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.07 2wfx s PHE 87 CO 0.08 -0.20 1.72 -0.22 -0.10 0.00 0.00 175.22 176.50 2wfx h LYS 88 N 7.77 0.46 -6.65 0.44 3.64 -1.41 -3.47 116.57 117.36 2wfx h LYS 88 Ca -0.37 -0.06 -0.53 0.00 -1.27 0.00 0.00 60.65 58.42 2wfx h LYS 88 Cb 1.18 -0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.80 2wfx h LYS 88 CO 0.61 0.40 -0.89 -3.47 -2.27 0.00 0.00 179.45 173.83 2wfx n ASP 89 N -4.78 -0.65 0.04 4.20 2.03 -1.26 -4.78 116.55 111.34 2wfx n ASP 89 Ca -0.01 -1.06 0.06 0.00 0.52 0.00 0.00 54.79 54.30 2wfx n ASP 89 Cb 0.09 -2.74 0.27 0.00 -0.72 0.00 0.00 41.12 38.01 2wfx n ASP 89 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2wfx n GLU 90 N -4.43 0.04 0.10 -0.67 0.00 -1.26 -0.87 120.64 113.56 2wfx n GLU 90 Ca -0.24 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.43 2wfx n GLU 90 Cb 0.65 -1.60 0.13 0.00 0.00 0.00 0.00 31.44 30.62 2wfx n GLU 90 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2wfx h GLU 91 N 0.00 0.00 0.00 3.44 3.07 -1.96 -3.47 114.58 115.66 2wfx h GLU 91 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wfx h GLU 91 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2wfx h GLU 91 CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 2wfx n ASN 92 N -2.43 0.00 0.13 1.42 3.02 -0.04 -4.77 115.26 112.58 2wfx n ASN 92 Ca 0.02 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.70 2wfx n ASN 92 Cb 0.49 -1.05 0.27 0.00 -0.61 0.00 0.00 39.78 38.87 2wfx n ASN 92 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2wfx h THR 93 N 0.00 0.00 -0.66 3.41 1.35 -1.92 -3.47 112.91 111.62 2wfx h THR 93 Ca 0.00 -0.66 -0.16 0.00 -0.55 0.00 0.00 66.41 65.04 2wfx h THR 93 Cb 0.00 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 67.93 2wfx h THR 93 CO 0.00 0.00 -0.17 0.61 -0.25 0.00 0.00 175.52 175.71 2wfx n GLY 94 N 1.25 0.62 0.11 5.82 0.00 -1.26 -4.90 105.19 106.83 2wfx n GLY 94 Ca 0.04 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.54 2wfx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfx n ALA 95 N 0.17 1.83 0.93 4.61 0.00 -1.26 -2.59 120.51 124.20 2wfx n ALA 95 Ca -0.08 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2wfx n ALA 95 Cb 0.38 -1.40 0.55 0.00 0.00 0.00 0.00 19.45 18.98 2wfx n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wfx n ASP 96 N -2.17 0.00 -0.06 0.00 8.00 -1.26 -2.29 116.55 118.76 2wfx n ASP 96 Ca 0.03 0.36 -0.02 0.00 0.71 0.00 0.00 54.79 55.87 2wfx n ASP 96 Cb 0.28 -0.45 -0.16 0.00 -0.02 0.00 0.00 41.12 40.77 2wfx n ASP 96 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wfx n ARG 97 N -1.45 0.77 -2.13 -1.24 1.74 -1.07 -4.37 116.66 108.90 2wfx n ARG 97 Ca 0.07 -0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2wfx n ARG 97 Cb 0.27 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 2wfx n ARG 97 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wfx s LEU 98 N -5.06 4.34 0.06 0.55 1.43 -1.19 -1.90 118.68 116.90 2wfx s LEU 98 Ca -0.09 2.27 -0.26 0.00 -1.03 0.00 0.00 54.13 55.02 2wfx s LEU 98 Cb 0.09 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.82 2wfx s LEU 98 CO 0.82 -0.75 0.75 0.00 0.23 0.00 0.00 176.35 177.40 2wfx s MET 99 N 2.11 1.04 0.74 1.70 0.23 -1.13 -3.61 119.30 120.36 2wfx s MET 99 Ca 0.67 -0.31 -0.12 0.00 -1.03 0.00 0.00 55.69 54.90 2wfx s MET 99 Cb -0.35 0.48 0.04 0.00 -1.53 0.00 0.00 34.83 33.47 2wfx s MET 99 CO 0.29 -0.44 1.10 0.95 -2.03 0.00 0.00 175.02 174.89 2wfx s THR 100 N -3.15 3.26 0.17 3.16 -4.23 -0.52 -2.82 115.64 111.51 2wfx s THR 100 Ca 0.02 0.47 -0.17 0.00 -1.18 0.00 0.00 61.69 60.83 2wfx s THR 100 Cb -0.01 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.98 2wfx s THR 100 CO -0.09 -0.48 1.66 -0.61 -0.54 0.00 0.00 174.62 174.56 2wfx h GLN 101 N -0.74 -0.02 -0.87 3.99 5.75 -1.92 0.20 115.11 121.49 2wfx h GLN 101 Ca -0.45 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.13 2wfx h GLN 101 Cb 1.24 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.74 2wfx h GLN 101 CO 0.52 -0.02 0.57 -0.09 -2.65 0.00 0.00 178.83 177.16 2wfx h ARG 102 N -0.03 0.93 -0.26 1.69 2.43 -1.92 -0.59 114.38 116.63 2wfx h ARG 102 Ca 0.20 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 2wfx h ARG 102 Cb 0.33 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2wfx h ARG 102 CO -0.44 0.62 -0.41 0.00 -1.51 0.00 0.00 179.97 178.22 2wfx h LYS 104 N 0.51 0.13 0.08 0.00 1.57 0.41 -0.34 116.57 118.93 2wfx h LYS 104 Ca 0.04 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wfx h LYS 104 Cb 0.94 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2wfx h LYS 104 CO 0.08 0.32 -0.04 -0.44 -0.57 0.00 0.00 179.45 178.81 2wfx h ASP 105 N 0.13 -0.09 -0.66 0.86 5.19 -0.87 -2.61 116.42 118.36 2wfx h ASP 105 Ca 0.02 -0.52 0.01 0.00 -0.62 0.00 0.00 57.03 55.93 2wfx h ASP 105 Cb 0.41 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.91 2wfx h ASP 105 CO 0.03 0.55 0.43 0.11 -3.12 0.00 0.00 179.24 177.24 2wfx h LYS 106 N -0.82 0.84 0.24 3.56 6.56 -1.26 -1.61 116.57 124.07 2wfx h LYS 106 Ca -0.01 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2wfx h LYS 106 Cb 0.60 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 2wfx h LYS 106 CO 0.02 0.56 -0.11 1.25 -2.06 0.00 0.00 179.45 179.10 2wfx h LEU 107 N 0.87 -0.27 -2.07 2.94 5.85 -1.16 -0.11 115.31 121.36 2wfx h LEU 107 Ca 0.25 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2wfx h LEU 107 Cb -0.07 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2wfx h LEU 107 CO -0.07 -0.06 0.01 0.78 -0.34 0.00 0.00 178.44 178.76 2wfx h ASN 108 N -0.47 0.00 0.82 1.25 2.35 -1.39 0.82 115.58 118.96 2wfx h ASN 108 Ca -0.03 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.54 2wfx h ASN 108 Cb 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2wfx h ASN 108 CO 0.05 0.00 -0.84 0.00 -1.65 0.00 0.00 177.43 174.99 2wfx h ALA 109 N 1.99 0.61 0.04 -0.83 0.00 -0.93 -3.21 119.26 116.93 2wfx h ALA 109 Ca 0.01 -0.76 -0.23 0.00 0.00 0.00 0.00 54.91 53.93 2wfx h ALA 109 Cb 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wfx h ALA 109 CO -0.00 1.03 -1.01 1.25 0.00 0.00 0.00 179.25 180.52 2wfx h LEU 110 N 0.01 0.44 -2.40 0.00 5.85 0.55 -3.24 115.31 116.51 2wfx h LEU 110 Ca -0.01 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2wfx h LEU 110 Cb 1.48 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2wfx h LEU 110 CO 0.11 1.22 -0.03 0.00 -0.34 0.00 0.00 178.44 179.40 2wfx h ALA 111 N 0.75 1.14 0.14 1.25 0.00 -0.91 -2.19 119.26 119.44 2wfx h ALA 111 Ca -0.09 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 2wfx h ALA 111 Cb 1.68 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.48 2wfx h ALA 111 CO 0.17 0.03 -0.97 0.82 0.00 0.00 0.00 179.25 179.31 2wfx h ILE 112 N 0.00 1.41 -0.56 0.00 2.04 -1.60 -3.20 117.51 115.60 2wfx h ILE 112 Ca -0.00 -2.52 0.08 0.00 1.00 0.00 0.00 64.86 63.42 2wfx h ILE 112 Cb 0.17 3.10 -0.07 0.00 -0.74 0.00 0.00 36.82 39.28 2wfx h ILE 112 CO 0.00 0.72 0.20 0.28 0.00 0.00 0.00 178.15 179.36 2wfx h SER 113 N -0.34 0.20 0.49 1.72 0.02 -1.49 -1.76 113.55 112.40 2wfx h SER 113 Ca -0.18 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2wfx h SER 113 Cb 1.69 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 64.26 2wfx h SER 113 CO 0.14 0.13 -0.48 0.58 -1.14 0.00 0.00 176.83 176.06 2wfx h VAL 114 N 0.39 0.05 -0.63 2.27 2.07 -1.51 0.39 116.25 119.27 2wfx h VAL 114 Ca 0.28 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.88 2wfx h VAL 114 Cb 0.32 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 2wfx h VAL 114 CO -0.28 0.00 0.42 0.24 0.02 0.00 0.00 177.57 177.97 2wfx h MET 115 N -0.98 0.51 -0.07 1.57 2.86 -1.51 -0.86 114.93 116.45 2wfx h MET 115 Ca -0.06 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.37 2wfx h MET 115 Cb 0.85 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2wfx h MET 115 CO -0.06 0.34 -0.72 -0.97 1.06 0.00 0.00 176.91 176.56 2wfx h ASN 116 N 0.52 0.45 0.13 1.22 -0.73 -0.62 -3.32 115.58 113.22 2wfx h ASN 116 Ca 0.29 -0.29 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2wfx h ASN 116 Cb 0.43 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.89 2wfx h ASN 116 CO -0.09 1.02 -0.06 -0.61 -0.37 0.00 0.00 177.43 177.33 2wfx h GLN 117 N 0.26 -0.17 -4.61 6.67 5.75 0.85 -3.43 115.11 120.43 2wfx h GLN 117 Ca -0.03 0.01 -0.63 0.00 -0.15 0.00 0.00 58.65 57.85 2wfx h GLN 117 Cb 1.29 0.04 -0.37 0.00 1.07 0.00 0.00 27.48 29.50 2wfx h GLN 117 CO 0.12 0.31 -0.80 -1.58 -2.65 0.00 0.00 178.83 174.23 2wfx s TRP 118 N -3.39 2.70 0.33 3.99 0.51 -0.44 -5.10 118.94 117.55 2wfx s TRP 118 Ca -0.13 -1.89 -0.28 0.00 -2.12 0.00 0.00 56.10 51.68 2wfx s TRP 118 Cb 0.00 -1.72 -0.13 0.00 -0.81 0.00 0.00 33.47 30.81 2wfx s TRP 118 CO 0.51 -0.80 1.19 -2.30 -0.51 0.00 0.00 176.95 175.03 2wfx n PRO 119 N 4.59 1.84 -1.03 4.98 -0.02 -1.25 -1.60 135.00 142.52 2wfx n PRO 119 Ca -0.14 0.64 -0.01 0.00 -2.02 0.00 0.00 63.50 61.98 2wfx n PRO 119 Cb 0.44 -2.16 -0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2wfx n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wfx n GLY 120 N 0.93 0.26 3.09 -1.23 0.00 -1.26 -4.96 105.19 102.02 2wfx n GLY 120 Ca 0.06 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2wfx n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wfx s VAL 121 N -1.44 2.18 0.44 1.61 1.01 -0.63 -4.94 120.40 118.64 2wfx s VAL 121 Ca 0.00 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 60.63 2wfx s VAL 121 Cb 0.00 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.21 2wfx s VAL 121 CO 0.00 0.13 0.54 -0.54 0.00 0.00 0.00 175.10 175.23 2wfx s LYS 122 N 1.16 2.67 0.01 2.72 1.02 -1.26 -3.24 119.74 122.81 2wfx s LYS 122 Ca -0.05 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.25 2wfx s LYS 122 Cb -0.18 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.48 2wfx s LYS 122 CO -0.07 -0.33 0.97 -1.17 -0.92 0.00 0.00 175.35 173.82 2wfx s LEU 123 N -4.33 4.38 -0.11 3.17 2.96 -1.26 -1.60 118.68 121.90 2wfx s LEU 123 Ca 0.53 1.66 0.01 0.00 -0.22 0.00 0.00 54.13 56.11 2wfx s LEU 123 Cb -0.07 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 2wfx s LEU 123 CO 0.32 -0.24 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.36 2wfx s ARG 124 N 0.92 3.18 -0.20 1.98 3.52 0.11 -0.58 118.95 127.87 2wfx s ARG 124 Ca 0.51 -0.73 -0.04 0.00 -0.13 0.00 0.00 55.73 55.34 2wfx s ARG 124 Cb -0.21 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.64 2wfx s ARG 124 CO 0.28 0.27 -0.03 0.08 -0.81 0.00 0.00 175.30 175.09 2wfx s VAL 125 N 0.18 3.64 -0.14 7.11 1.01 0.18 -0.15 120.40 132.22 2wfx s VAL 125 Ca -0.09 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2wfx s VAL 125 Cb -0.15 -2.64 -0.23 0.00 0.00 0.00 0.00 36.38 33.35 2wfx s VAL 125 CO 0.05 0.43 0.26 0.35 0.00 0.00 0.00 175.10 176.20 2wfx n THR 126 N 4.40 1.59 -3.83 3.92 -2.24 0.66 -1.15 114.28 117.64 2wfx n THR 126 Ca -0.18 -0.72 -0.12 0.00 -2.27 0.00 0.00 64.05 60.76 2wfx n THR 126 Cb 0.51 -1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 67.41 2wfx n THR 126 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wfx s GLU 127 N -2.55 0.11 0.00 -0.78 2.56 -1.11 -4.54 118.70 112.39 2wfx s GLU 127 Ca -0.17 0.14 0.00 0.00 0.00 0.00 0.00 54.97 54.94 2wfx s GLU 127 Cb 0.07 0.04 0.00 0.00 2.00 0.00 0.00 34.13 36.24 2wfx s GLU 127 CO 0.76 -0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.85 2wfx n GLY 128 N 3.11 2.34 3.70 -1.50 0.00 -1.26 -0.37 105.19 111.20 2wfx n GLY 128 Ca -0.13 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 2wfx n GLY 128 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2wfx s TRP 129 N 2.22 3.50 0.06 1.61 -0.00 -0.97 -4.67 118.94 120.69 2wfx s TRP 129 Ca 0.00 1.20 0.03 0.00 -0.00 0.00 0.00 56.10 57.33 2wfx s TRP 129 Cb 0.00 -2.86 -0.04 0.00 -0.00 0.00 0.00 33.47 30.57 2wfx s TRP 129 CO 0.00 -0.04 0.02 0.34 -0.00 0.00 0.00 176.95 177.27 2wfx s ASP 130 N 0.96 5.19 -0.51 5.86 2.15 -0.71 -4.48 116.67 125.13 2wfx s ASP 130 Ca 0.36 -0.09 0.03 0.00 0.43 0.00 0.00 52.55 53.28 2wfx s ASP 130 Cb -0.17 -1.31 0.43 0.00 -0.30 0.00 0.00 42.92 41.57 2wfx s ASP 130 CO 0.15 0.20 1.55 -0.62 -0.17 0.00 0.00 175.17 176.28 2wfx n GLU 131 N 0.74 3.18 -2.47 4.34 1.02 -1.26 -4.53 120.64 121.66 2wfx n GLU 131 Ca -0.11 -3.88 0.00 0.00 -0.02 0.00 0.00 57.16 53.15 2wfx n GLU 131 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 2wfx n GLU 131 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2wfx n ASP 132 N -0.70 0.00 -4.60 1.62 4.64 -1.26 -5.05 116.55 111.19 2wfx n ASP 132 Ca 0.50 0.00 -0.50 0.00 -1.38 0.00 0.00 54.79 53.41 2wfx n ASP 132 Cb 0.71 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.74 2wfx n ASP 132 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2wfx n GLY 133 N -0.41 0.48 0.00 0.27 0.00 -1.26 -4.47 105.19 99.80 2wfx n GLY 133 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2wfx n GLY 133 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wfx n HIS 134 N 2.36 0.00 -4.08 1.61 -0.00 -1.26 -5.13 115.22 108.72 2wfx n HIS 134 Ca 0.17 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.27 2wfx n HIS 134 Cb 0.22 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.99 2wfx n HIS 134 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2wfx s HIS 135 N 0.00 0.51 0.08 1.57 3.76 -1.26 -5.12 115.29 114.82 2wfx s HIS 135 Ca 0.00 -0.95 -0.30 0.00 -0.15 0.00 0.00 55.06 53.65 2wfx s HIS 135 Cb 0.00 -0.37 -0.09 0.00 1.11 0.00 0.00 32.58 33.23 2wfx s HIS 135 CO 0.00 -0.32 1.88 -1.12 -0.85 0.00 0.00 174.74 174.32 2wfx s SER 136 N -2.65 6.45 0.62 1.40 0.01 -1.26 -4.88 113.70 113.39 2wfx s SER 136 Ca 0.03 2.69 -0.18 0.00 1.31 0.00 0.00 55.95 59.81 2wfx s SER 136 Cb 0.04 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.59 2wfx s SER 136 CO -0.08 -1.02 -0.18 -0.62 0.41 0.00 0.00 173.24 171.75 2wfx n GLU 137 N 6.56 0.05 -0.98 12.44 4.71 -1.26 -1.92 120.64 140.24 2wfx n GLU 137 Ca 0.19 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.36 2wfx n GLU 137 Cb 0.40 -1.09 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 2wfx n GLU 137 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wfx n GLU 138 N 1.47 -0.13 -2.12 3.49 -0.58 -1.26 -5.01 120.64 116.49 2wfx n GLU 138 Ca 0.06 0.03 -0.37 0.00 -0.42 0.00 0.00 57.16 56.47 2wfx n GLU 138 Cb 0.49 -3.03 0.01 0.00 -0.57 0.00 0.00 31.44 28.34 2wfx n GLU 138 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2wfx s SER 139 N -2.34 5.68 0.00 1.62 0.15 -0.81 -4.91 113.70 113.10 2wfx s SER 139 Ca 0.00 2.38 0.17 0.00 0.70 0.00 0.00 55.95 59.20 2wfx s SER 139 Cb 0.00 -2.60 0.82 0.00 -1.71 0.00 0.00 66.02 62.53 2wfx s SER 139 CO 0.00 -1.26 1.56 0.18 1.20 0.00 0.00 173.24 174.92 2wfx n LEU 140 N -1.02 0.69 0.12 3.45 4.77 -1.26 -2.99 117.00 120.75 2wfx n LEU 140 Ca 0.10 -0.30 -0.01 0.00 -0.03 0.00 0.00 56.01 55.78 2wfx n LEU 140 Cb 0.49 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2wfx n LEU 140 CO 0.47 0.15 0.38 0.45 -1.33 0.00 0.00 177.39 177.50 2wfx h HIS 141 N 0.89 0.00 0.00 -1.77 3.86 -1.85 -1.02 115.15 115.26 2wfx h HIS 141 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wfx h HIS 141 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2wfx h HIS 141 CO 0.05 0.67 0.00 0.66 0.86 0.00 0.00 177.93 180.17 2wfx n TYR 142 N -3.32 0.65 0.52 2.45 4.01 -1.16 -1.73 117.16 118.57 2wfx n TYR 142 Ca 0.01 0.24 0.06 0.00 -0.16 0.00 0.00 57.90 58.05 2wfx n TYR 142 Cb 0.78 -0.89 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 2wfx n TYR 142 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wfx n GLU 143 N -2.08 1.44 -1.32 -0.72 1.02 -1.21 -2.64 120.64 115.13 2wfx n GLU 143 Ca 0.03 -0.91 -0.06 0.00 -0.02 0.00 0.00 57.16 56.20 2wfx n GLU 143 Cb 0.24 -1.18 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 2wfx n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wfx n GLY 144 N 0.86 0.70 0.32 0.62 0.00 -1.14 -4.61 105.19 101.93 2wfx n GLY 144 Ca 0.06 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.39 2wfx n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wfx n ARG 145 N -2.62 1.39 -4.47 1.61 1.74 -0.74 -1.44 116.66 112.12 2wfx n ARG 145 Ca -0.06 -0.68 -0.29 0.00 -0.77 0.00 0.00 57.85 56.06 2wfx n ARG 145 Cb 0.25 -1.36 -0.13 0.00 -1.02 0.00 0.00 32.46 30.19 2wfx n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wfx s ALA 146 N -2.28 2.31 -0.06 7.54 0.00 -0.46 -1.54 121.76 127.27 2wfx s ALA 146 Ca 0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 2wfx s ALA 146 Cb 0.15 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.92 2wfx s ALA 146 CO 0.54 0.52 0.14 0.14 0.00 0.00 0.00 175.76 177.11 2wfx s VAL 147 N -1.02 -0.04 -0.34 0.00 -7.23 0.34 -4.38 120.40 107.73 2wfx s VAL 147 Ca 0.13 0.15 -0.15 0.00 -1.81 0.00 0.00 61.98 60.31 2wfx s VAL 147 Cb -0.10 -0.23 -0.01 0.00 0.56 0.00 0.00 36.38 36.59 2wfx s VAL 147 CO 0.05 0.06 0.34 -1.81 -0.31 0.00 0.00 175.10 173.44 2wfx s ASP 148 N 1.01 6.16 0.23 4.85 1.01 0.50 -1.20 116.67 129.23 2wfx s ASP 148 Ca -0.08 -0.24 0.10 0.00 0.71 0.00 0.00 52.55 53.04 2wfx s ASP 148 Cb -0.10 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.59 2wfx s ASP 148 CO -0.05 -0.32 -0.18 0.27 0.21 0.00 0.00 175.17 175.10 2wfx s ILE 149 N 1.98 2.07 0.36 0.77 -4.36 -0.62 -0.25 121.20 121.16 2wfx s ILE 149 Ca 0.11 -2.22 -0.02 0.00 -0.26 0.00 0.00 60.65 58.26 2wfx s ILE 149 Cb -0.17 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.44 2wfx s ILE 149 CO 0.11 -0.44 0.50 0.42 0.24 0.00 0.00 174.94 175.78 2wfx s THR 150 N -2.55 0.00 0.83 8.37 -4.23 0.79 -2.08 115.64 116.77 2wfx s THR 150 Ca 0.24 -1.57 -0.12 0.00 -1.18 0.00 0.00 61.69 59.06 2wfx s THR 150 Cb -0.04 -2.71 0.11 0.00 1.34 0.00 0.00 72.50 71.21 2wfx s THR 150 CO 0.10 0.00 1.18 0.42 -0.54 0.00 0.00 174.62 175.78 2wfx s THR 151 N -2.86 2.06 0.14 3.99 -4.23 -1.26 -0.71 115.64 112.77 2wfx s THR 151 Ca 0.30 -0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.66 2wfx s THR 151 Cb -0.01 -2.98 -0.15 0.00 1.34 0.00 0.00 72.50 70.70 2wfx s THR 151 CO 0.22 0.00 1.34 0.77 -0.54 0.00 0.00 174.62 176.41 2wfx h SER 152 N -1.11 0.66 0.05 3.99 4.64 -1.63 -3.17 113.55 116.97 2wfx h SER 152 Ca -0.45 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 2wfx h SER 152 Cb 1.29 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2wfx h SER 152 CO 0.55 1.24 -0.01 -0.90 -0.87 0.00 0.00 176.83 176.84 2wfx n ASP 153 N -3.84 0.57 0.00 4.97 5.68 -1.26 -4.89 116.55 117.79 2wfx n ASP 153 Ca -0.06 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 2wfx n ASP 153 Cb 0.77 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 2wfx n ASP 153 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wfx n ARG 154 N -0.60 0.00 -1.55 0.11 1.74 -1.20 -4.88 116.66 110.28 2wfx n ARG 154 Ca 0.21 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.88 2wfx n ARG 154 Cb 0.22 -3.96 -0.04 0.00 -1.02 0.00 0.00 32.46 27.66 2wfx n ARG 154 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wfx n ASP 155 N 0.00 2.53 0.09 0.55 10.43 -1.26 -4.79 116.55 124.10 2wfx n ASP 155 Ca 0.00 -0.12 0.09 0.00 2.57 0.00 0.00 54.79 57.33 2wfx n ASP 155 Cb 0.00 -1.50 0.40 0.00 1.84 0.00 0.00 41.12 41.85 2wfx n ASP 155 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wfx n ARG 156 N 8.81 0.11 0.22 -1.24 1.74 -1.26 -2.70 116.66 122.33 2wfx n ARG 156 Ca 0.37 0.46 0.15 0.00 -0.77 0.00 0.00 57.85 58.06 2wfx n ARG 156 Cb 0.45 -1.76 0.76 0.00 -1.02 0.00 0.00 32.46 30.88 2wfx n ARG 156 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wfx h SER 157 N 0.00 0.00 -0.01 0.55 4.64 -1.96 -2.21 113.55 114.56 2wfx h SER 157 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wfx h SER 157 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2wfx h SER 157 CO 0.00 0.00 -0.33 0.29 -0.87 0.00 0.00 176.83 175.92 2wfx n LYS 158 N -2.62 1.95 0.07 4.77 4.01 -1.10 -4.54 118.16 120.71 2wfx n LYS 158 Ca -0.01 -0.63 0.21 0.00 -0.51 0.00 0.00 58.31 57.37 2wfx n LYS 158 Cb 0.13 -1.19 0.72 0.00 -0.51 0.00 0.00 35.03 34.19 2wfx n LYS 158 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 2wfx h TYR 159 N 1.33 0.00 0.15 2.13 -1.99 -1.57 0.30 116.97 117.32 2wfx h TYR 159 Ca 0.00 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.52 2wfx h TYR 159 Cb 0.45 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.20 2wfx h TYR 159 CO 0.00 0.00 -0.93 0.78 -0.00 0.00 0.00 178.16 178.01 2wfx h GLY 160 N 0.00 0.36 1.45 3.88 0.00 -1.80 -2.88 103.07 104.08 2wfx h GLY 160 Ca 0.21 -0.92 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 2wfx h GLY 160 CO -0.00 0.81 0.03 1.98 0.00 0.00 0.00 176.54 179.36 2wfx h MET 161 N -0.32 0.68 -0.50 4.80 1.85 -1.22 -1.46 114.93 118.76 2wfx h MET 161 Ca -0.17 -0.16 0.00 0.00 -0.61 0.00 0.00 59.70 58.77 2wfx h MET 161 Cb 1.70 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 33.61 2wfx h MET 161 CO 0.15 0.68 0.32 1.25 -0.40 0.00 0.00 176.91 178.91 2wfx h LEU 162 N 0.65 0.59 -1.25 3.39 5.85 -0.61 -0.39 115.31 123.55 2wfx h LEU 162 Ca 0.14 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2wfx h LEU 162 Cb 0.36 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2wfx h LEU 162 CO 0.01 0.45 0.51 0.00 -0.34 0.00 0.00 178.44 179.07 2wfx h ALA 163 N 1.16 1.47 -0.04 1.25 0.00 -1.20 -0.12 119.26 121.79 2wfx h ALA 163 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2wfx h ALA 163 Cb -0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2wfx h ALA 163 CO -0.04 0.48 -0.00 -0.09 0.00 0.00 0.00 179.25 179.60 2wfx h ARG 164 N 1.02 0.07 -0.19 0.00 9.65 -0.87 -2.05 114.38 122.01 2wfx h ARG 164 Ca 0.29 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.20 2wfx h ARG 164 Cb -0.08 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 2wfx h ARG 164 CO -0.07 0.38 0.17 -0.07 2.80 0.00 0.00 179.97 183.18 2wfx h LEU 165 N -0.25 0.00 -0.16 3.80 3.38 -0.59 0.14 115.31 121.62 2wfx h LEU 165 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2wfx h LEU 165 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2wfx h LEU 165 CO 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 178.44 178.19 2wfx h ALA 166 N 1.84 0.26 -0.80 1.53 0.00 -0.75 0.61 119.26 121.95 2wfx h ALA 166 Ca 0.09 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2wfx h ALA 166 Cb 0.43 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2wfx h ALA 166 CO -0.00 0.32 0.53 0.28 0.00 0.00 0.00 179.25 180.38 2wfx h VAL 167 N 0.16 1.20 0.00 0.00 2.07 -0.33 -1.36 116.25 117.99 2wfx h VAL 167 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2wfx h VAL 167 Cb 0.94 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2wfx h VAL 167 CO 0.08 0.20 0.00 -0.33 0.02 0.00 0.00 177.57 177.53 2wfx h GLU 168 N 1.08 0.00 0.00 1.57 4.39 -1.08 -2.95 114.58 117.59 2wfx h GLU 168 Ca 0.29 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 2wfx h GLU 168 Cb -0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2wfx h GLU 168 CO -0.06 0.00 -0.22 0.00 -1.16 0.00 0.00 179.01 177.56 2wfx h ALA 169 N 2.19 0.92 0.00 3.43 0.00 0.25 -3.47 119.26 122.57 2wfx h ALA 169 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wfx h ALA 169 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wfx h ALA 169 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2wfx n GLY 170 N 0.65 1.69 3.63 0.00 0.00 -0.94 -4.75 105.19 105.47 2wfx n GLY 170 Ca 0.02 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.50 2wfx n GLY 170 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wfx n PHE 171 N 0.00 1.69 0.95 1.61 3.72 -1.09 -4.80 117.46 119.55 2wfx n PHE 171 Ca 0.00 0.60 0.09 0.00 -0.05 0.00 0.00 57.45 58.09 2wfx n PHE 171 Cb 0.00 -2.38 0.49 0.00 -0.94 0.00 0.00 39.48 36.65 2wfx n PHE 171 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2wfx n ASP 172 N 3.46 0.00 -3.15 4.37 8.00 -0.88 -4.48 116.55 123.87 2wfx n ASP 172 Ca 0.21 -0.16 0.05 0.00 0.71 0.00 0.00 54.79 55.60 2wfx n ASP 172 Cb 0.17 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 2wfx n ASP 172 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2wfx s TRP 173 N -2.40 -0.86 -0.13 1.24 -0.00 -0.91 -4.03 118.94 111.86 2wfx s TRP 173 Ca 0.20 0.84 -0.02 0.00 -0.00 0.00 0.00 56.10 57.12 2wfx s TRP 173 Cb 0.12 0.27 -0.03 0.00 -0.00 0.00 0.00 33.47 33.84 2wfx s TRP 173 CO 0.26 -0.48 -0.04 0.08 -0.00 0.00 0.00 176.95 176.77 2wfx s VAL 174 N 2.92 3.91 -0.07 5.86 1.01 -0.92 -1.62 120.40 131.49 2wfx s VAL 174 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2wfx s VAL 174 Cb -0.10 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.62 2wfx s VAL 174 CO -0.16 0.53 -0.05 -0.47 0.00 0.00 0.00 175.10 174.96 2wfx s TYR 175 N -0.07 0.94 -1.08 5.22 5.04 0.79 -1.83 117.35 126.36 2wfx s TYR 175 Ca 0.02 -0.33 -0.14 0.00 -2.44 0.00 0.00 57.07 54.18 2wfx s TYR 175 Cb -0.13 -0.85 -0.08 0.00 0.35 0.00 0.00 41.96 41.25 2wfx s TYR 175 CO 0.03 -0.30 2.19 0.98 -1.34 0.00 0.00 175.55 177.10 2wfx n TYR 176 N 4.51 2.14 0.00 4.97 4.19 -0.33 0.01 117.16 132.65 2wfx n TYR 176 Ca -0.17 -2.28 0.00 0.00 3.31 0.00 0.00 57.90 58.76 2wfx n TYR 176 Cb 0.51 -1.98 0.00 0.00 0.49 0.00 0.00 39.34 38.35 2wfx n TYR 176 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 2wfx n GLU 177 N 5.51 0.00 -4.61 2.98 0.00 -1.24 -2.53 120.64 120.75 2wfx n GLU 177 Ca 0.53 0.75 -0.28 0.00 0.00 0.00 0.00 57.16 58.15 2wfx n GLU 177 Cb 0.30 -1.39 -0.08 0.00 0.00 0.00 0.00 31.44 30.27 2wfx n GLU 177 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2wfx s SER 178 N -2.73 3.32 0.01 4.31 1.04 -0.94 -4.68 113.70 114.03 2wfx s SER 178 Ca 0.00 -1.66 0.18 0.00 0.48 0.00 0.00 55.95 54.95 2wfx s SER 178 Cb 0.00 0.48 0.77 0.00 0.10 0.00 0.00 66.02 67.38 2wfx s SER 178 CO 0.00 -0.89 1.58 1.17 0.98 0.00 0.00 173.24 176.08 2wfx n LYS 179 N -1.04 0.01 -0.01 4.02 4.81 -1.26 -3.14 118.16 121.54 2wfx n LYS 179 Ca -0.11 0.20 0.10 0.00 -0.87 0.00 0.00 58.31 57.63 2wfx n LYS 179 Cb 0.66 -1.51 -0.16 0.00 0.02 0.00 0.00 35.03 34.04 2wfx n LYS 179 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wfx n ALA 180 N -1.51 3.17 -3.53 3.14 0.00 -1.26 -4.91 120.51 115.61 2wfx n ALA 180 Ca 0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 53.44 52.88 2wfx n ALA 180 Cb 0.21 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 2wfx n ALA 180 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2wfx s HIS 181 N -3.37 -0.31 0.13 0.00 -3.43 -1.19 -4.91 115.29 102.23 2wfx s HIS 181 Ca -0.05 0.26 0.05 0.00 -0.80 0.00 0.00 55.06 54.52 2wfx s HIS 181 Cb 0.14 0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 31.77 2wfx s HIS 181 CO 0.88 -0.44 0.08 0.96 -2.00 0.00 0.00 174.74 174.21 2wfx s ILE 182 N -2.62 4.29 -0.18 -5.38 -0.00 -0.88 -2.22 121.20 114.20 2wfx s ILE 182 Ca 0.05 -1.05 -0.01 0.00 -0.00 0.00 0.00 60.65 59.64 2wfx s ILE 182 Cb -0.01 -3.13 0.00 0.00 -0.00 0.00 0.00 42.46 39.32 2wfx s ILE 182 CO -0.06 -0.01 -0.13 -2.28 -0.00 0.00 0.00 174.94 172.45 2wfx s HIS 183 N -1.59 2.84 0.14 1.37 2.46 0.10 -1.58 115.29 119.03 2wfx s HIS 183 Ca 0.29 -1.17 0.10 0.00 0.47 0.00 0.00 55.06 54.75 2wfx s HIS 183 Cb -0.11 -1.97 -0.04 0.00 -0.13 0.00 0.00 32.58 30.33 2wfx s HIS 183 CO 0.21 -0.59 -0.21 0.00 -2.47 0.00 0.00 174.74 171.69 2wfx s SER 185 N -2.27 -0.43 0.46 0.00 1.04 -0.64 -0.51 113.70 111.34 2wfx s SER 185 Ca 0.18 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.89 2wfx s SER 185 Cb -0.10 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 2wfx s SER 185 CO 0.09 -0.66 0.04 0.68 0.98 0.00 0.00 173.24 174.37 2wfx s VAL 186 N -2.06 1.15 0.87 5.02 -7.23 -0.59 -2.08 120.40 115.48 2wfx s VAL 186 Ca -0.07 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 57.99 2wfx s VAL 186 Cb -0.01 -2.38 0.17 0.00 0.56 0.00 0.00 36.38 34.72 2wfx s VAL 186 CO 0.01 0.00 1.20 -0.54 -0.31 0.00 0.00 175.10 175.47 2wfx s LYS 187 N -3.81 1.04 0.66 4.82 1.02 -1.24 -4.75 119.74 117.47 2wfx s LYS 187 Ca 0.17 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.54 2wfx s LYS 187 Cb 0.04 -2.02 0.11 0.00 -0.52 0.00 0.00 37.83 35.43 2wfx s LYS 187 CO 0.09 -2.05 0.91 0.00 -0.92 0.00 0.00 175.35 173.37 2wfx s ALA 188 N -3.62 4.12 -1.35 5.17 0.00 -1.26 -4.85 121.76 119.97 2wfx s ALA 188 Ca 0.71 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.78 2wfx s ALA 188 Cb -0.04 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.33 2wfx s ALA 188 CO 0.50 -1.20 0.85 0.39 0.00 0.00 0.00 175.76 176.29 2wfx n GLU 189 N -2.58 0.01 -1.32 0.00 -0.58 -1.26 -3.28 120.64 111.62 2wfx n GLU 189 Ca 0.15 0.32 -0.22 0.00 -0.42 0.00 0.00 57.16 56.99 2wfx n GLU 189 Cb 0.61 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.88 2wfx n GLU 189 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2wfx n ASN 190 N -1.32 6.14 0.00 1.62 3.02 -1.26 -5.22 115.26 118.23 2wfx n ASN 190 Ca 0.00 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 51.65 2wfx n ASN 190 Cb 0.01 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.85 2wfx n ASN 190 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40