#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kuf n LEU 3 N 0.00 2.16 -4.76 4.31 7.94 -1.26 -4.55 117.00 120.84 3kuf n LEU 3 Ca 0.00 0.98 -0.40 0.00 -1.11 0.00 0.00 56.01 55.48 3kuf n LEU 3 Cb 0.00 -1.12 -0.04 0.00 0.53 0.00 0.00 43.42 42.79 3kuf n LEU 3 CO 0.00 -0.52 0.81 -0.89 -1.11 0.00 0.00 177.39 175.68 3kuf s THR 4 N 4.14 3.41 0.24 1.96 2.01 -1.26 -0.86 115.64 125.28 3kuf s THR 4 Ca 1.02 1.40 0.05 0.00 0.31 0.00 0.00 61.69 64.47 3kuf s THR 4 Cb -1.11 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 67.49 3kuf s THR 4 CO 0.65 0.32 0.18 1.33 -0.69 0.00 0.00 174.62 176.42 3kuf n VAL 5 N 1.08 0.00 -4.52 3.82 0.24 0.74 -4.37 118.33 115.32 3kuf n VAL 5 Ca -0.01 -1.67 -0.21 0.00 -2.04 0.00 0.00 64.34 60.41 3kuf n VAL 5 Cb 0.45 0.80 -0.15 0.00 -1.47 0.00 0.00 33.84 33.47 3kuf n VAL 5 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3kuf s GLU 6 N -2.95 1.01 -0.08 7.34 2.02 0.73 -1.68 118.70 125.08 3kuf s GLU 6 Ca 0.25 -0.42 0.05 0.00 0.02 0.00 0.00 54.97 54.88 3kuf s GLU 6 Cb 0.01 -0.97 -0.00 0.00 0.10 0.00 0.00 34.13 33.27 3kuf s GLU 6 CO 0.18 0.23 -0.24 0.08 0.02 0.00 0.00 175.26 175.53 3kuf s VAL 7 N -0.18 2.03 -0.03 2.63 1.01 -0.89 -1.30 120.40 123.66 3kuf s VAL 7 Ca 0.03 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 3kuf s VAL 7 Cb -0.06 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3kuf s VAL 7 CO -0.00 0.56 1.27 -0.60 0.00 0.00 0.00 175.10 176.32 3kuf s ARG 8 N 0.13 4.33 0.21 2.72 3.52 -0.35 -0.83 118.95 128.68 3kuf s ARG 8 Ca -0.12 1.77 -0.09 0.00 -0.13 0.00 0.00 55.73 57.16 3kuf s ARG 8 Cb -0.16 -3.55 -0.07 0.00 -1.56 0.00 0.00 34.95 29.61 3kuf s ARG 8 CO 0.07 -0.48 0.52 0.20 -0.81 0.00 0.00 175.30 174.80 3kuf s GLY 9 N 1.58 2.28 0.36 8.12 0.00 0.13 -4.90 107.32 114.88 3kuf s GLY 9 Ca 0.59 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.99 3kuf s GLY 9 CO 0.24 -0.19 0.74 -1.14 0.00 0.00 0.00 173.10 172.75 3kuf n SER 10 N -0.05 0.00 -0.01 1.64 3.41 -1.26 0.30 113.62 117.64 3kuf n SER 10 Ca -0.00 0.27 0.15 0.00 -0.26 0.00 0.00 58.87 59.02 3kuf n SER 10 Cb 0.52 0.00 0.87 0.00 -0.26 0.00 0.00 64.21 65.35 3kuf n SER 10 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kuf n ASN 11 N -1.77 0.04 0.00 4.04 4.13 -1.26 -4.89 115.26 115.55 3kuf n ASN 11 Ca 0.00 -1.08 0.00 0.00 1.68 0.00 0.00 54.58 55.18 3kuf n ASN 11 Cb 0.74 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.98 3kuf n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kuf n GLY 12 N 0.97 2.86 3.66 7.41 0.00 0.88 -5.00 105.19 115.98 3kuf n GLY 12 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 3kuf n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kuf n ALA 13 N 0.05 -0.60 -3.71 4.61 0.00 -1.24 -4.71 120.51 114.90 3kuf n ALA 13 Ca 0.00 -1.75 -0.21 0.00 0.00 0.00 0.00 53.44 51.48 3kuf n ALA 13 Cb 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 19.45 19.40 3kuf n ALA 13 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kuf s PHE 14 N -3.32 0.62 -0.10 0.00 0.40 -0.99 0.18 117.98 114.77 3kuf s PHE 14 Ca 0.67 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.87 3kuf s PHE 14 Cb -0.03 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.84 3kuf s PHE 14 CO 0.46 -0.25 -0.14 0.71 0.70 0.00 0.00 175.22 176.70 3kuf s TYR 15 N 1.47 1.85 0.92 0.36 1.51 -0.01 -1.13 117.35 122.32 3kuf s TYR 15 Ca -0.03 -0.85 -0.14 0.00 -1.01 0.00 0.00 57.07 55.05 3kuf s TYR 15 Cb -0.13 -1.35 0.01 0.00 -0.11 0.00 0.00 41.96 40.37 3kuf s TYR 15 CO -0.03 -0.45 0.32 1.17 -1.11 0.00 0.00 175.55 175.45 3kuf n LYS 16 N 4.20 -0.17 0.00 -0.62 4.81 -1.26 -2.10 118.16 123.01 3kuf n LYS 16 Ca -0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 3kuf n LYS 16 Cb 0.51 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.79 3kuf n LYS 16 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kuf n GLY 17 N 1.70 -0.95 3.25 3.14 0.00 -0.68 -3.27 105.19 108.37 3kuf n GLY 17 Ca 0.06 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 3kuf n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kuf s PHE 18 N -2.00 -0.24 -0.36 1.61 0.40 -0.03 -0.18 117.98 117.18 3kuf s PHE 18 Ca 0.00 0.43 -0.26 0.00 -0.60 0.00 0.00 56.93 56.50 3kuf s PHE 18 Cb 0.00 0.11 0.01 0.00 0.51 0.00 0.00 43.02 43.66 3kuf s PHE 18 CO 0.00 -0.35 0.93 0.42 0.70 0.00 0.00 175.22 176.91 3kuf s ILE 19 N -1.01 4.60 -0.12 0.64 1.01 -0.04 -1.51 121.20 124.77 3kuf s ILE 19 Ca -0.11 1.26 0.17 0.00 0.00 0.00 0.00 60.65 61.97 3kuf s ILE 19 Cb -0.05 -4.32 -0.17 0.00 0.01 0.00 0.00 42.46 37.93 3kuf s ILE 19 CO 0.04 -0.50 0.67 1.17 0.00 0.00 0.00 174.94 176.32 3kuf n LYS 20 N 6.72 0.63 -3.58 2.79 4.81 0.24 -3.36 118.16 126.42 3kuf n LYS 20 Ca 0.07 0.15 -0.14 0.00 -0.87 0.00 0.00 58.31 57.52 3kuf n LYS 20 Cb 0.48 -1.74 -0.06 0.00 0.02 0.00 0.00 35.03 33.73 3kuf n LYS 20 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3kuf s ASP 21 N -5.61 -0.62 -0.08 3.14 -1.08 -0.65 -4.93 116.67 106.85 3kuf s ASP 21 Ca -0.05 0.96 0.02 0.00 -0.52 0.00 0.00 52.55 52.96 3kuf s ASP 21 Cb 0.09 0.89 -0.02 0.00 -1.46 0.00 0.00 42.92 42.41 3kuf s ASP 21 CO 0.82 -0.38 -0.13 -0.69 0.52 0.00 0.00 175.17 175.31 3kuf s VAL 22 N -0.42 3.12 0.32 1.11 1.01 -1.26 0.01 120.40 124.29 3kuf s VAL 22 Ca -0.04 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3kuf s VAL 22 Cb -0.03 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3kuf s VAL 22 CO 0.03 0.57 0.12 1.41 0.00 0.00 0.00 175.10 177.23 3kuf n HIS 23 N 2.71 0.08 0.22 5.22 8.25 0.39 -4.99 115.22 127.10 3kuf n HIS 23 Ca -0.18 -2.06 -0.10 0.00 -0.26 0.00 0.00 57.72 55.13 3kuf n HIS 23 Cb 0.52 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 3kuf n HIS 23 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3kuf h GLU 24 N 0.00 -0.61 -0.02 -0.41 4.57 -2.01 -3.33 114.58 112.78 3kuf h GLU 24 Ca -0.25 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3kuf h GLU 24 Cb 0.95 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3kuf h GLU 24 CO 0.39 -0.40 -0.31 -0.40 -1.18 0.00 0.00 179.01 177.10 3kuf n ASP 25 N -3.93 2.27 -3.75 1.04 5.68 -1.26 -4.97 116.55 111.62 3kuf n ASP 25 Ca -0.08 -1.63 -0.13 0.00 -0.50 0.00 0.00 54.79 52.45 3kuf n ASP 25 Cb 0.26 0.31 -0.10 0.00 -1.14 0.00 0.00 41.12 40.45 3kuf n ASP 25 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3kuf s SER 26 N -2.32 -0.30 0.19 -1.12 1.04 -1.25 -3.84 113.70 106.09 3kuf s SER 26 Ca 0.22 0.46 0.04 0.00 0.48 0.00 0.00 55.95 57.14 3kuf s SER 26 Cb 0.19 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.83 3kuf s SER 26 CO 0.48 -0.26 0.31 -0.76 0.98 0.00 0.00 173.24 173.99 3kuf s LEU 27 N -0.45 4.29 -0.20 2.42 1.02 0.89 -0.46 118.68 126.19 3kuf s LEU 27 Ca -0.06 0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.21 3kuf s LEU 27 Cb -0.04 -2.85 0.04 0.00 0.02 0.00 0.00 46.19 43.36 3kuf s LEU 27 CO 0.02 -0.00 -0.13 -0.89 0.02 0.00 0.00 176.35 175.37 3kuf s THR 28 N -1.86 1.81 0.03 5.49 2.01 0.10 0.42 115.64 123.64 3kuf s THR 28 Ca 0.34 -1.04 0.07 0.00 0.31 0.00 0.00 61.69 61.37 3kuf s THR 28 Cb -0.10 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 3kuf s THR 28 CO 0.28 0.26 -0.20 0.68 -0.69 0.00 0.00 174.62 174.96 3kuf s VAL 29 N 1.34 1.60 0.03 3.82 -7.23 -1.13 0.83 120.40 119.67 3kuf s VAL 29 Ca -0.00 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 3kuf s VAL 29 Cb -0.16 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 3kuf s VAL 29 CO -0.09 0.26 0.10 -0.69 -0.31 0.00 0.00 175.10 174.37 3kuf s VAL 30 N -0.70 4.79 0.48 1.32 1.01 -0.57 -3.69 120.40 123.03 3kuf s VAL 30 Ca 0.07 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3kuf s VAL 30 Cb -0.08 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.06 3kuf s VAL 30 CO 0.01 0.24 0.46 -0.36 0.00 0.00 0.00 175.10 175.45 3kuf s PHE 31 N -1.31 2.18 -0.61 5.22 0.40 -1.20 -0.85 117.98 121.80 3kuf s PHE 31 Ca 0.27 -0.63 -0.28 0.00 -0.60 0.00 0.00 56.93 55.70 3kuf s PHE 31 Cb -0.12 -2.11 0.01 0.00 0.51 0.00 0.00 43.02 41.31 3kuf s PHE 31 CO 0.19 -0.41 1.42 -2.00 0.70 0.00 0.00 175.22 175.12 3kuf s GLU 32 N -4.27 3.22 -0.64 0.44 2.12 -1.20 -0.82 118.70 117.54 3kuf s GLU 32 Ca 0.47 0.31 0.00 0.00 0.36 0.00 0.00 54.97 56.10 3kuf s GLU 32 Cb -0.04 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.20 3kuf s GLU 32 CO 0.28 -2.05 0.00 0.09 -0.54 0.00 0.00 175.26 173.04 3kuf n ASN 33 N 9.80 -4.93 -0.28 -1.70 3.02 -1.26 -4.68 115.26 115.23 3kuf n ASN 33 Ca 0.11 0.15 0.02 0.00 -0.03 0.00 0.00 54.58 54.82 3kuf n ASN 33 Cb 0.49 -2.96 0.02 0.00 -0.61 0.00 0.00 39.78 36.73 3kuf n ASN 33 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3kuf n ASN 34 N -0.54 0.52 -0.01 6.41 2.85 -1.24 -4.88 115.26 118.37 3kuf n ASN 34 Ca -0.06 -1.96 -0.00 0.00 -0.11 0.00 0.00 54.58 52.45 3kuf n ASN 34 Cb 0.40 -0.18 -0.00 0.00 1.24 0.00 0.00 39.78 41.24 3kuf n ASN 34 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 3kuf n TRP 35 N -0.27 -0.00 -0.06 1.20 7.02 -0.00 -3.28 117.44 122.05 3kuf n TRP 35 Ca 0.03 0.03 -0.12 0.00 -1.02 0.00 0.00 57.50 56.42 3kuf n TRP 35 Cb 0.62 -0.51 -0.06 0.00 -2.42 0.00 0.00 31.31 28.94 3kuf n TRP 35 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3kuf h GLN 36 N 0.00 0.31 -3.70 -0.99 4.20 -1.90 0.77 115.11 113.80 3kuf h GLN 36 Ca 0.01 -0.11 -0.79 0.00 0.06 0.00 0.00 58.65 57.82 3kuf h GLN 36 Cb 0.01 -0.02 -0.27 0.00 0.30 0.00 0.00 27.48 27.50 3kuf h GLN 36 CO -0.02 0.55 0.42 -1.25 -0.67 0.00 0.00 178.83 177.86 3kuf s PRO 37 N -4.88 4.07 -0.16 1.46 0.04 -1.22 -5.02 135.00 129.29 3kuf s PRO 37 Ca -0.14 -3.01 -0.23 0.00 0.04 0.00 0.00 61.00 57.66 3kuf s PRO 37 Cb 0.06 -4.56 -0.10 0.00 0.04 0.00 0.00 34.50 29.94 3kuf s PRO 37 CO 0.73 -1.28 0.72 -0.85 0.04 0.00 0.00 177.00 176.35 3kuf n GLU 38 N 3.16 0.00 -1.63 4.56 0.28 0.26 -4.81 120.64 122.46 3kuf n GLU 38 Ca 0.22 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.93 3kuf n GLU 38 Cb 0.41 -0.77 0.15 0.00 1.43 0.00 0.00 31.44 32.67 3kuf n GLU 38 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3kuf s ARG 39 N 0.97 0.84 -0.17 3.44 1.81 -1.24 -4.95 118.95 119.64 3kuf s ARG 39 Ca 0.51 0.04 -0.03 0.00 -1.72 0.00 0.00 55.73 54.54 3kuf s ARG 39 Cb -0.73 -1.83 -0.02 0.00 -0.45 0.00 0.00 34.95 31.93 3kuf s ARG 39 CO 0.37 -2.35 -0.06 -1.14 -0.68 0.00 0.00 175.30 171.44 3kuf s GLN 40 N -5.50 3.49 0.15 3.54 0.74 -1.26 -2.82 119.66 118.01 3kuf s GLN 40 Ca 0.67 -0.60 0.09 0.00 0.05 0.00 0.00 55.36 55.57 3kuf s GLN 40 Cb -0.11 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 3kuf s GLN 40 CO 0.53 0.07 -0.14 0.08 -0.55 0.00 0.00 175.29 175.27 3kuf s VAL 41 N 0.79 2.99 0.41 1.34 1.01 1.42 -4.85 120.40 123.51 3kuf s VAL 41 Ca -0.02 -1.62 -0.17 0.00 0.00 0.00 0.00 61.98 60.17 3kuf s VAL 41 Cb -0.15 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.71 3kuf s VAL 41 CO 0.02 -0.02 0.87 -2.16 0.00 0.00 0.00 175.10 173.80 3kuf s PRO 42 N -2.53 4.06 0.00 2.72 0.04 -1.26 0.30 135.00 138.32 3kuf s PRO 42 Ca 0.22 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.13 3kuf s PRO 42 Cb -0.09 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3kuf s PRO 42 CO 0.13 -0.02 0.13 1.97 0.04 0.00 0.00 177.00 179.25 3kuf n PHE 43 N -0.80 0.00 0.87 0.56 -0.00 -1.25 -2.58 117.46 114.26 3kuf n PHE 43 Ca 0.05 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.64 3kuf n PHE 43 Cb 0.54 -0.06 0.55 0.00 -0.00 0.00 0.00 39.48 40.51 3kuf n PHE 43 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3kuf n ASN 44 N -1.81 0.19 0.00 5.98 0.23 -1.26 -2.10 115.26 116.48 3kuf n ASN 44 Ca 0.00 0.52 0.15 0.00 -0.53 0.00 0.00 54.58 54.72 3kuf n ASN 44 Cb 0.00 -0.57 0.73 0.00 -2.08 0.00 0.00 39.78 37.86 3kuf n ASN 44 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3kuf n GLU 45 N -1.68 0.35 -3.99 -3.83 1.02 -1.07 -4.48 120.64 106.95 3kuf n GLU 45 Ca 0.06 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.98 3kuf n GLU 45 Cb 0.34 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 3kuf n GLU 45 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kuf s VAL 46 N -2.65 5.12 0.27 2.62 1.01 -0.89 -1.21 120.40 124.66 3kuf s VAL 46 Ca 0.26 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 3kuf s VAL 46 Cb 0.20 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.87 3kuf s VAL 46 CO 0.47 -0.26 0.69 0.00 0.00 0.00 0.00 175.10 176.00 3kuf s ARG 47 N -3.73 1.72 0.34 2.72 1.70 -0.42 -2.40 118.95 118.88 3kuf s ARG 47 Ca 0.34 -0.96 -0.21 0.00 -0.47 0.00 0.00 55.73 54.43 3kuf s ARG 47 Cb -0.09 0.60 -0.10 0.00 -0.57 0.00 0.00 34.95 34.78 3kuf s ARG 47 CO 0.28 -0.78 0.87 -0.51 -1.08 0.00 0.00 175.30 174.08 3kuf s LEU 48 N -2.91 4.15 1.04 -1.89 1.43 -1.26 -0.20 118.68 119.04 3kuf s LEU 48 Ca 0.11 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.71 3kuf s LEU 48 Cb -0.05 -4.14 0.19 0.00 0.03 0.00 0.00 46.19 42.22 3kuf s LEU 48 CO 0.05 -0.18 0.96 -0.81 0.23 0.00 0.00 176.35 176.60 3kuf n PRO 49 N 0.00 -1.35 -2.94 1.29 -0.04 -1.26 -4.75 135.00 125.96 3kuf n PRO 49 Ca 0.03 -0.35 -0.33 0.00 -0.04 0.00 0.00 63.50 62.81 3kuf n PRO 49 Cb 0.52 -2.20 -0.07 0.00 -0.04 0.00 0.00 33.50 31.71 3kuf n PRO 49 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kuf s PRO 50 N -4.38 4.19 0.12 0.54 0.04 -1.26 -4.99 135.00 129.26 3kuf s PRO 50 Ca 0.66 0.97 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 3kuf s PRO 50 Cb -0.23 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 31.97 3kuf s PRO 50 CO 0.62 0.09 0.13 -0.35 0.04 0.00 0.00 177.00 177.53 3kuf n PRO 51 N -0.34 -0.66 -3.97 0.56 -0.04 -1.26 -5.19 135.00 124.10 3kuf n PRO 51 Ca 0.05 -0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 62.96 3kuf n PRO 51 Cb 0.53 -0.16 -0.15 0.00 -0.04 0.00 0.00 33.50 33.69 3kuf n PRO 51 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3kuf s PRO 52 N -3.29 3.28 0.74 0.54 0.02 -1.26 -5.21 135.00 129.82 3kuf s PRO 52 Ca 0.08 -0.68 -0.07 0.00 0.02 0.00 0.00 61.00 60.35 3kuf s PRO 52 Cb -0.00 -2.89 0.09 0.00 0.02 0.00 0.00 34.50 31.71 3kuf s PRO 52 CO 0.06 -0.20 1.05 -2.00 -0.33 0.00 0.00 177.00 175.58 3kuf s GLU 57 N 1.42 1.91 -0.15 5.54 2.12 -1.26 -5.30 118.70 122.99 3kuf s GLU 57 Ca 0.05 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 54.95 3kuf s GLU 57 Cb -0.14 -2.15 0.07 0.00 0.26 0.00 0.00 34.13 32.18 3kuf s GLU 57 CO -0.06 -1.43 0.22 0.42 -0.54 0.00 0.00 175.26 173.88 3kuf s ILE 58 N -3.32 -0.34 0.22 -3.70 -1.09 -1.26 -4.81 121.20 106.90 3kuf s ILE 58 Ca 0.63 0.14 -0.16 0.00 -2.23 0.00 0.00 60.65 59.02 3kuf s ILE 58 Cb -0.09 -0.50 0.02 0.00 -1.58 0.00 0.00 42.46 40.30 3kuf s ILE 58 CO 0.46 -0.00 0.53 -0.94 -1.23 0.00 0.00 174.94 173.76 3kuf s SER 59 N 2.35 -0.20 1.02 3.58 1.04 -1.26 -5.15 113.70 115.09 3kuf s SER 59 Ca 0.04 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.71 3kuf s SER 59 Cb -0.14 0.60 0.20 0.00 0.10 0.00 0.00 66.02 66.79 3kuf s SER 59 CO -0.09 -1.12 1.07 -1.83 0.98 0.00 0.00 173.24 172.25 3kuf s GLU 60 N -3.93 0.21 0.00 4.02 -1.05 -1.26 -2.75 118.70 113.94 3kuf s GLU 60 Ca 0.14 0.81 0.00 0.00 -0.15 0.00 0.00 54.97 55.77 3kuf s GLU 60 Cb -0.02 -1.69 0.00 0.00 -0.44 0.00 0.00 34.13 31.99 3kuf s GLU 60 CO 0.02 -2.96 0.00 0.41 0.95 0.00 0.00 175.26 173.68 3kuf n GLY 61 N -0.30 0.35 3.84 -3.83 0.00 0.51 -4.95 105.19 100.82 3kuf n GLY 61 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3kuf n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kuf s ASP 62 N -2.28 5.60 -0.12 1.61 1.01 -1.11 -4.71 116.67 116.68 3kuf s ASP 62 Ca 0.00 1.45 -0.13 0.00 0.71 0.00 0.00 52.55 54.58 3kuf s ASP 62 Cb 0.00 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 3kuf s ASP 62 CO 0.00 -1.28 0.31 -0.70 0.21 0.00 0.00 175.17 173.71 3kuf s GLU 63 N -5.14 4.08 0.25 8.23 2.12 -1.26 -0.89 118.70 126.08 3kuf s GLU 63 Ca 0.57 0.16 0.01 0.00 0.36 0.00 0.00 54.97 56.07 3kuf s GLU 63 Cb -0.13 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 3kuf s GLU 63 CO 0.54 0.41 0.12 0.14 -0.54 0.00 0.00 175.26 175.93 3kuf s VAL 64 N -0.06 0.30 0.02 3.70 -7.23 0.41 -4.02 120.40 113.52 3kuf s VAL 64 Ca 0.19 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 3kuf s VAL 64 Cb -0.14 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 3kuf s VAL 64 CO 0.06 0.00 0.17 -1.61 -0.31 0.00 0.00 175.10 173.42 3kuf s GLU 65 N -4.02 3.36 0.18 4.82 2.02 -0.16 0.16 118.70 125.06 3kuf s GLU 65 Ca 0.38 -0.41 0.04 0.00 0.02 0.00 0.00 54.97 55.00 3kuf s GLU 65 Cb 0.07 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 3kuf s GLU 65 CO 0.14 0.64 -0.05 0.54 0.02 0.00 0.00 175.26 176.55 3kuf s VAL 66 N -1.39 1.03 -0.40 2.63 0.11 0.81 -2.44 120.40 120.75 3kuf s VAL 66 Ca 0.30 -2.03 0.00 0.00 -2.93 0.00 0.00 61.98 57.32 3kuf s VAL 66 Cb -0.13 -2.06 0.11 0.00 -1.53 0.00 0.00 36.38 32.78 3kuf s VAL 66 CO 0.22 -0.56 0.16 -0.47 -3.33 0.00 0.00 175.10 171.12 3kuf s TYR 67 N -3.42 3.62 0.11 1.54 5.04 -0.78 0.25 117.35 123.71 3kuf s TYR 67 Ca 0.22 -2.73 -0.02 0.00 -2.44 0.00 0.00 57.07 52.10 3kuf s TYR 67 Cb 0.04 -3.08 0.01 0.00 0.35 0.00 0.00 41.96 39.28 3kuf s TYR 67 CO 0.04 -0.94 0.17 0.45 -1.34 0.00 0.00 175.55 173.93 3kuf n SER 68 N 4.28 -0.49 -3.53 4.32 2.88 0.18 -4.84 113.62 116.41 3kuf n SER 68 Ca 0.01 -1.52 -0.14 0.00 -1.33 0.00 0.00 58.87 55.89 3kuf n SER 68 Cb 0.41 0.87 -0.06 0.00 -0.75 0.00 0.00 64.21 64.68 3kuf n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kuf s ARG 69 N -2.16 1.72 -0.20 -1.46 1.70 -1.26 -0.77 118.95 116.52 3kuf s ARG 69 Ca 0.07 -1.71 -0.15 0.00 -0.47 0.00 0.00 55.73 53.47 3kuf s ARG 69 Cb -0.01 0.40 -0.20 0.00 -0.57 0.00 0.00 34.95 34.57 3kuf s ARG 69 CO 0.05 -0.68 0.14 0.00 -1.08 0.00 0.00 175.30 173.73 3kuf n ALA 70 N -0.50 0.92 0.00 7.88 0.00 -1.26 -5.09 120.51 122.46 3kuf n ALA 70 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3kuf n ALA 70 Cb 0.62 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3kuf n ALA 70 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kuf n GLU 74 N -4.08 0.00 -0.44 0.00 1.02 -1.26 -5.18 120.64 110.70 3kuf n GLU 74 Ca -0.37 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.48 3kuf n GLU 74 Cb 0.83 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 32.53 3kuf n GLU 74 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3kuf s PRO 75 N -5.01 -2.44 0.04 3.49 0.04 -1.26 -5.04 135.00 124.82 3kuf s PRO 75 Ca 0.00 0.29 -0.06 0.00 0.04 0.00 0.00 61.00 61.26 3kuf s PRO 75 Cb 0.00 -1.42 -0.05 0.00 0.04 0.00 0.00 34.50 33.07 3kuf s PRO 75 CO 0.00 -4.59 0.30 0.00 0.04 0.00 0.00 177.00 172.75 3kuf n GLY 77 N 0.92 2.51 3.65 0.00 0.00 0.05 -4.82 105.19 107.50 3kuf n GLY 77 Ca -0.09 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 3kuf n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kuf s TRP 78 N -7.06 3.31 -0.00 1.61 0.52 -0.28 0.49 118.94 117.52 3kuf s TRP 78 Ca 0.00 0.30 0.08 0.00 0.02 0.00 0.00 56.10 56.50 3kuf s TRP 78 Cb -0.00 -2.36 -0.02 0.00 -1.15 0.00 0.00 33.47 29.93 3kuf s TRP 78 CO 0.00 -0.01 -0.24 -1.58 0.02 0.00 0.00 176.95 175.15 3kuf s TRP 79 N 1.31 2.40 0.30 -1.98 0.52 0.70 -2.36 118.94 119.83 3kuf s TRP 79 Ca 0.10 -0.37 -0.29 0.00 0.02 0.00 0.00 56.10 55.56 3kuf s TRP 79 Cb -0.14 -1.49 -0.10 0.00 -1.15 0.00 0.00 33.47 30.59 3kuf s TRP 79 CO 0.07 0.06 1.21 -1.17 0.02 0.00 0.00 176.95 177.13 3kuf s LEU 80 N -0.86 4.49 0.33 2.99 1.98 -1.26 0.28 118.68 126.62 3kuf s LEU 80 Ca 0.11 2.46 -0.10 0.00 -2.89 0.00 0.00 54.13 53.71 3kuf s LEU 80 Cb -0.10 -3.64 0.02 0.00 0.66 0.00 0.00 46.19 43.13 3kuf s LEU 80 CO 0.01 -0.34 0.58 0.00 -1.89 0.00 0.00 176.35 174.71 3kuf s ALA 81 N -1.05 -0.07 -0.04 5.97 0.00 0.43 -4.52 121.76 122.49 3kuf s ALA 81 Ca 0.47 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3kuf s ALA 81 Cb -0.36 0.97 0.01 0.00 0.00 0.00 0.00 23.12 23.75 3kuf s ALA 81 CO 0.46 -0.88 -0.08 0.21 0.00 0.00 0.00 175.76 175.47 3kuf s LYS 82 N -3.15 1.03 -0.55 0.00 2.20 -0.49 -0.44 119.74 118.33 3kuf s LYS 82 Ca 0.23 -0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 55.30 3kuf s LYS 82 Cb -0.02 -0.95 0.01 0.00 -1.51 0.00 0.00 37.83 35.36 3kuf s LYS 82 CO 0.14 0.04 1.40 0.08 -0.36 0.00 0.00 175.35 176.64 3kuf s VAL 83 N 0.49 3.81 -2.07 4.02 1.01 -0.07 -1.79 120.40 125.81 3kuf s VAL 83 Ca -0.08 0.70 0.26 0.00 0.00 0.00 0.00 61.98 62.86 3kuf s VAL 83 Cb -0.12 -4.45 0.25 0.00 0.00 0.00 0.00 36.38 32.07 3kuf s VAL 83 CO 0.01 -1.16 1.46 0.54 0.00 0.00 0.00 175.10 175.95 3kuf n ARG 84 N 8.61 1.21 -3.56 2.72 1.74 -0.49 0.19 116.66 127.08 3kuf n ARG 84 Ca 0.12 -0.82 -0.07 0.00 -0.77 0.00 0.00 57.85 56.31 3kuf n ARG 84 Cb 0.49 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 3kuf n ARG 84 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3kuf s MET 85 N -2.36 0.55 0.03 5.56 0.00 -1.08 -4.83 119.30 117.17 3kuf s MET 85 Ca 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 55.69 55.82 3kuf s MET 85 Cb 0.19 0.25 -0.02 0.00 0.00 0.00 0.00 34.83 35.26 3kuf s MET 85 CO 0.48 -0.21 0.06 0.00 0.00 0.00 0.00 175.02 175.35 3kuf s MET 86 N -2.12 0.54 -0.30 4.11 0.23 -1.26 -1.15 119.30 119.35 3kuf s MET 86 Ca 0.04 -0.77 -0.14 0.00 -1.03 0.00 0.00 55.69 53.80 3kuf s MET 86 Cb -0.01 0.21 0.14 0.00 -1.53 0.00 0.00 34.83 33.64 3kuf s MET 86 CO -0.04 -0.13 0.84 0.21 -2.03 0.00 0.00 175.02 173.87 3kuf s LYS 87 N -2.53 0.45 7.85 3.16 2.20 0.37 -4.99 119.74 126.24 3kuf s LYS 87 Ca -0.06 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 3kuf s LYS 87 Cb -0.02 0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 3kuf s LYS 87 CO -0.04 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 3kuf n GLY 88 N 4.88 3.64 0.33 5.54 0.00 -1.26 -1.37 105.19 116.95 3kuf n GLY 88 Ca -0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 3kuf n GLY 88 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kuf h GLU 89 N 0.00 0.99 -5.84 1.61 4.39 -1.99 -3.47 114.58 110.27 3kuf h GLU 89 Ca 0.00 -0.13 -0.64 0.00 0.34 0.00 0.00 59.36 58.93 3kuf h GLU 89 Cb 0.00 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.41 3kuf h GLU 89 CO 0.00 0.77 -0.50 -0.06 -1.16 0.00 0.00 179.01 178.06 3kuf s PHE 90 N -5.57 3.53 -0.05 4.33 0.40 -0.47 -4.39 117.98 115.76 3kuf s PHE 90 Ca -0.11 0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.59 3kuf s PHE 90 Cb 0.17 -1.81 -0.00 0.00 0.51 0.00 0.00 43.02 41.88 3kuf s PHE 90 CO 0.80 0.63 -0.19 0.71 0.70 0.00 0.00 175.22 177.87 3kuf s TYR 91 N -1.35 1.88 -0.20 0.36 1.51 -0.40 -0.48 117.35 118.67 3kuf s TYR 91 Ca 0.29 -0.55 -0.16 0.00 -1.01 0.00 0.00 57.07 55.64 3kuf s TYR 91 Cb -0.13 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 3kuf s TYR 91 CO 0.20 -0.18 0.39 0.08 -1.11 0.00 0.00 175.55 174.93 3kuf s VAL 92 N -0.00 5.21 0.30 0.71 1.01 -0.30 -1.53 120.40 125.79 3kuf s VAL 92 Ca -0.04 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.66 3kuf s VAL 92 Cb -0.12 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 3kuf s VAL 92 CO 0.03 0.26 0.07 0.27 0.00 0.00 0.00 175.10 175.73 3kuf s ILE 93 N 1.25 0.98 -0.10 2.22 -5.25 -0.04 -1.40 121.20 118.87 3kuf s ILE 93 Ca 0.19 -2.00 -0.05 0.00 -0.99 0.00 0.00 60.65 57.80 3kuf s ILE 93 Cb -0.15 -2.73 0.04 0.00 2.95 0.00 0.00 42.46 42.57 3kuf s ILE 93 CO 0.08 -0.01 0.22 -0.70 -1.79 0.00 0.00 174.94 172.74 3kuf s GLU 94 N -3.94 0.19 0.00 0.37 2.12 -0.74 -2.67 118.70 114.03 3kuf s GLU 94 Ca 0.37 0.48 0.00 0.00 0.36 0.00 0.00 54.97 56.18 3kuf s GLU 94 Cb 0.08 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.36 3kuf s GLU 94 CO 0.15 -0.15 0.00 0.66 -0.54 0.00 0.00 175.26 175.37 3kuf n TYR 95 N 4.13 0.00 -2.23 5.30 4.02 -1.03 -1.40 117.16 125.95 3kuf n TYR 95 Ca -0.25 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.22 3kuf n TYR 95 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.83 3kuf n TYR 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kuf s ALA 100 N -4.00 3.45 0.00 -0.72 0.00 -1.26 -4.16 121.76 115.07 3kuf s ALA 100 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3kuf s ALA 100 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3kuf s ALA 100 CO 0.00 -1.62 0.00 0.25 0.00 0.00 0.00 175.76 174.39 3kuf n THR 101 N 5.94 0.00 -2.19 0.00 -2.24 -1.26 -5.15 114.28 109.38 3kuf n THR 101 Ca 0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.82 3kuf n THR 101 Cb 0.45 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.75 3kuf n THR 101 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kuf n TYR 102 N 0.00 -3.37 -4.02 4.78 4.02 -1.26 -5.12 117.16 112.20 3kuf n TYR 102 Ca 0.00 -0.83 -0.08 0.00 -0.01 0.00 0.00 57.90 56.98 3kuf n TYR 102 Cb 0.00 -0.41 -0.09 0.00 -0.02 0.00 0.00 39.34 38.82 3kuf n TYR 102 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kuf s ASN 103 N -3.19 0.36 -0.25 7.72 -0.87 -1.26 -2.47 114.94 114.97 3kuf s ASN 103 Ca 0.35 -0.90 -0.31 0.00 -1.57 0.00 0.00 52.86 50.44 3kuf s ASN 103 Cb -0.02 0.25 0.17 0.00 -0.02 0.00 0.00 41.25 41.64 3kuf s ASN 103 CO 0.24 -0.65 1.27 -0.70 -2.57 0.00 0.00 177.10 174.69 3kuf s GLU 104 N -3.91 0.19 -0.28 -0.60 2.12 -1.09 -5.02 118.70 110.11 3kuf s GLU 104 Ca 0.07 0.02 -0.11 0.00 0.36 0.00 0.00 54.97 55.32 3kuf s GLU 104 Cb 0.07 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 3kuf s GLU 104 CO -0.10 -0.06 0.18 0.42 -0.54 0.00 0.00 175.26 175.16 3kuf s ILE 105 N -1.26 5.12 0.26 -3.70 1.01 -1.26 -0.86 121.20 120.51 3kuf s ILE 105 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3kuf s ILE 105 Cb -0.01 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 39.00 3kuf s ILE 105 CO -0.05 0.23 0.01 1.33 0.00 0.00 0.00 174.94 176.45 3kuf n VAL 106 N 5.04 0.00 -4.50 2.92 0.24 -0.59 -4.90 118.33 116.54 3kuf n VAL 106 Ca -0.14 -1.22 -0.23 0.00 -2.04 0.00 0.00 64.34 60.70 3kuf n VAL 106 Cb 0.52 0.22 -0.11 0.00 -1.47 0.00 0.00 33.84 33.00 3kuf n VAL 106 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3kuf s THR 107 N -1.92 1.45 0.30 3.34 -4.23 -1.26 -1.28 115.64 112.04 3kuf s THR 107 Ca 0.01 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3kuf s THR 107 Cb -0.00 -2.84 0.39 0.00 1.34 0.00 0.00 72.50 71.39 3kuf s THR 107 CO 0.00 -0.02 1.47 0.33 -0.54 0.00 0.00 174.62 175.87 3kuf n PHE 108 N -0.76 0.67 0.27 3.99 -0.00 -1.26 -0.12 117.46 120.25 3kuf n PHE 108 Ca -0.03 1.13 0.17 0.00 -0.00 0.00 0.00 57.45 58.72 3kuf n PHE 108 Cb 0.67 -1.25 0.63 0.00 -0.00 0.00 0.00 39.48 39.52 3kuf n PHE 108 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 3kuf h GLU 109 N 0.00 0.00 -0.79 -4.13 4.11 -1.97 -2.55 114.58 109.25 3kuf h GLU 109 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 3kuf h GLU 109 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3kuf h GLU 109 CO -0.86 0.00 0.00 0.54 0.07 0.00 0.00 179.01 178.76 3kuf n ARG 110 N -3.10 2.49 -3.82 1.06 1.74 0.83 -4.91 116.66 110.96 3kuf n ARG 110 Ca 0.01 -1.24 -0.12 0.00 -0.77 0.00 0.00 57.85 55.72 3kuf n ARG 110 Cb 0.33 -1.76 -0.09 0.00 -1.02 0.00 0.00 32.46 29.92 3kuf n ARG 110 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kuf s LEU 111 N -1.09 1.22 -0.22 0.55 1.43 -0.96 -1.87 118.68 117.74 3kuf s LEU 111 Ca 0.22 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 3kuf s LEU 111 Cb 0.16 0.93 0.15 0.00 0.03 0.00 0.00 46.19 47.47 3kuf s LEU 111 CO 0.07 -0.38 1.15 0.00 0.23 0.00 0.00 176.35 177.42 3kuf s ARG 112 N -1.24 0.37 0.23 1.70 1.70 -1.02 -5.02 118.95 115.66 3kuf s ARG 112 Ca -0.13 0.12 -0.31 0.00 -0.47 0.00 0.00 55.73 54.94 3kuf s ARG 112 Cb -0.06 0.17 -0.14 0.00 -0.57 0.00 0.00 34.95 34.35 3kuf s ARG 112 CO 0.03 -0.11 1.18 -2.30 -1.08 0.00 0.00 175.30 173.02 3kuf n PRO 113 N 0.79 1.48 -1.59 3.89 -0.02 -1.26 -0.99 135.00 137.30 3kuf n PRO 113 Ca -0.07 0.52 -0.54 0.00 -2.02 0.00 0.00 63.50 61.40 3kuf n PRO 113 Cb 0.58 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.97 3kuf n PRO 113 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kuf n VAL 114 N 1.17 0.03 -1.97 -1.45 0.31 -1.26 -4.55 118.33 110.61 3kuf n VAL 114 Ca 0.12 -0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.06 3kuf n VAL 114 Cb 0.29 -0.75 -0.03 0.00 -0.91 0.00 0.00 33.84 32.44 3kuf n VAL 114 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3kuf s ASN 115 N 0.71 5.18 -0.38 4.52 2.47 -1.26 -4.83 114.94 121.35 3kuf s ASN 115 Ca 0.87 0.48 0.04 0.00 0.42 0.00 0.00 52.86 54.66 3kuf s ASN 115 Cb -1.01 -2.53 0.58 0.00 -1.45 0.00 0.00 41.25 36.84 3kuf s ASN 115 CO 0.50 -2.42 1.78 0.00 -3.72 0.00 0.00 177.10 173.24 3kuf n GLN 116 N 9.13 2.11 -0.33 0.43 -0.00 -1.26 -4.88 117.38 122.58 3kuf n GLN 116 Ca 0.23 -2.58 -0.28 0.00 -0.00 0.00 0.00 57.00 54.37 3kuf n GLN 116 Cb 0.52 -2.01 0.26 0.00 -0.00 0.00 0.00 30.24 29.01 3kuf n GLN 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3kuf n ASN 117 N -0.89 -3.59 -4.01 2.61 3.02 -1.26 -5.06 115.26 106.09 3kuf n ASN 117 Ca 0.51 -0.66 -0.15 0.00 -0.03 0.00 0.00 54.58 54.24 3kuf n ASN 117 Cb 1.50 -0.99 -0.13 0.00 -0.61 0.00 0.00 39.78 39.55 3kuf n ASN 117 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3kuf s LYS 118 N -4.61 0.50 1.09 3.52 0.00 -1.26 -4.99 119.74 113.99 3kuf s LYS 118 Ca 0.61 -0.42 -0.12 0.00 0.00 0.00 0.00 55.97 56.03 3kuf s LYS 118 Cb -0.13 -0.41 0.24 0.00 0.00 0.00 0.00 37.83 37.53 3kuf s LYS 118 CO 0.54 0.10 1.06 0.95 0.00 0.00 0.00 175.35 177.99 3kuf s THR 119 N -0.61 2.08 -2.00 3.79 -4.23 -1.23 -4.27 115.64 109.17 3kuf s THR 119 Ca -0.02 0.03 0.25 0.00 -1.18 0.00 0.00 61.69 60.76 3kuf s THR 119 Cb -0.05 -2.16 0.70 0.00 1.34 0.00 0.00 72.50 72.32 3kuf s THR 119 CO 0.00 -0.04 1.83 0.52 -0.54 0.00 0.00 174.62 176.39