#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fki n THR 3 N 0.00 -6.22 -2.00 1.09 -1.04 -1.26 -5.00 114.28 99.85 3fki n THR 3 Ca 0.00 0.02 -0.21 0.00 -2.04 0.00 0.00 64.05 61.82 3fki n THR 3 Cb 0.00 -4.65 0.14 0.00 -1.82 0.00 0.00 70.33 64.00 3fki n THR 3 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3fki n PHE 4 N -1.78 -3.66 -4.38 -1.42 1.16 -1.26 -5.06 117.46 101.06 3fki n PHE 4 Ca -0.15 -1.07 -0.19 0.00 -1.87 0.00 0.00 57.45 54.17 3fki n PHE 4 Cb 0.61 -0.71 -0.10 0.00 -1.61 0.00 0.00 39.48 37.67 3fki n PHE 4 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 3fki s ARG 5 N -4.98 1.45 0.35 3.97 3.52 -1.26 -5.16 118.95 116.84 3fki s ARG 5 Ca 0.56 -1.75 0.08 0.00 -0.13 0.00 0.00 55.73 54.49 3fki s ARG 5 Cb -0.02 -0.82 -0.04 0.00 -1.56 0.00 0.00 34.95 32.51 3fki s ARG 5 CO 0.38 -0.07 0.19 -0.06 -0.81 0.00 0.00 175.30 174.93 3fki s PHE 6 N -3.27 2.72 0.26 5.12 0.40 -1.26 -4.15 117.98 117.80 3fki s PHE 6 Ca 0.30 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 56.15 3fki s PHE 6 Cb 0.06 -1.74 -0.06 0.00 0.51 0.00 0.00 43.02 41.78 3fki s PHE 6 CO 0.11 0.26 0.55 0.00 0.70 0.00 0.00 175.22 176.84 3fki n ARG 8 N -0.54 1.96 0.00 0.00 1.85 -1.26 -3.93 116.66 114.74 3fki n ARG 8 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3fki n ARG 8 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 3fki n ARG 8 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3fki n ASP 9 N 0.00 0.00 -4.24 2.89 5.75 -1.26 -4.01 116.55 115.69 3fki n ASP 9 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 3fki n ASP 9 Cb 0.00 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 39.94 3fki n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fki s ASN 11 N 1.23 5.89 0.32 0.00 2.47 -1.25 -4.67 114.94 118.94 3fki s ASN 11 Ca 0.03 1.32 0.05 0.00 0.42 0.00 0.00 52.86 54.68 3fki s ASN 11 Cb -0.14 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.11 3fki s ASN 11 CO -0.06 -1.71 0.30 0.20 -3.72 0.00 0.00 177.10 172.12 3fki s ASN 12 N 6.10 1.42 0.46 -4.21 -0.87 -1.25 -4.97 114.94 111.61 3fki s ASN 12 Ca 0.80 -1.68 -0.22 0.00 -1.57 0.00 0.00 52.86 50.19 3fki s ASN 12 Cb -0.23 0.56 -0.08 0.00 -0.02 0.00 0.00 41.25 41.48 3fki s ASN 12 CO 0.34 -1.09 1.07 -0.32 -2.57 0.00 0.00 177.10 174.52 3fki s MET 13 N -3.43 3.88 -0.12 -0.60 -2.45 -1.26 -3.24 119.30 112.09 3fki s MET 13 Ca 0.39 1.49 -0.00 0.00 -1.25 0.00 0.00 55.69 56.31 3fki s MET 13 Cb 0.02 -2.28 -0.02 0.00 1.25 0.00 0.00 34.83 33.80 3fki s MET 13 CO 0.25 -0.38 -0.11 -0.51 1.05 0.00 0.00 175.02 175.32 3fki s LEU 14 N -3.16 2.86 0.08 4.11 1.43 -1.26 -4.52 118.68 118.22 3fki s LEU 14 Ca 0.64 -0.24 0.09 0.00 -1.03 0.00 0.00 54.13 53.58 3fki s LEU 14 Cb -0.20 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3fki s LEU 14 CO 0.25 0.21 -0.21 -0.31 0.23 0.00 0.00 176.35 176.52 3fki s TYR 15 N 0.08 2.47 0.24 0.29 1.51 0.11 -4.85 117.35 117.20 3fki s TYR 15 Ca -0.04 -0.30 -0.21 0.00 -1.01 0.00 0.00 57.07 55.51 3fki s TYR 15 Cb -0.14 -1.38 -0.08 0.00 -0.11 0.00 0.00 41.96 40.24 3fki s TYR 15 CO 0.04 0.29 0.76 -1.25 -1.11 0.00 0.00 175.55 174.28 3fki s PRO 16 N -1.72 4.31 0.17 -1.71 0.04 -1.26 0.04 135.00 134.86 3fki s PRO 16 Ca 0.15 0.95 -0.06 0.00 0.04 0.00 0.00 61.00 62.07 3fki s PRO 16 Cb -0.10 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 3fki s PRO 16 CO 0.06 0.38 0.23 1.03 0.04 0.00 0.00 177.00 178.74 3fki s ARG 17 N -1.97 1.13 -0.11 4.56 0.52 0.54 -4.93 118.95 118.68 3fki s ARG 17 Ca 0.44 -1.29 -0.04 0.00 -0.52 0.00 0.00 55.73 54.32 3fki s ARG 17 Cb -0.17 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.60 3fki s ARG 17 CO 0.21 -0.40 0.03 -2.00 0.02 0.00 0.00 175.30 173.17 3fki s GLU 18 N -4.01 3.29 -0.20 3.54 2.12 -1.26 -1.07 118.70 121.11 3fki s GLU 18 Ca 0.22 -0.37 -0.29 0.00 0.36 0.00 0.00 54.97 54.89 3fki s GLU 18 Cb 0.04 -2.93 0.00 0.00 0.26 0.00 0.00 34.13 31.50 3fki s GLU 18 CO 0.02 0.60 1.11 0.34 -0.54 0.00 0.00 175.26 176.79 3fki s ASP 19 N -0.57 7.06 0.20 -1.70 -1.08 -0.87 -4.94 116.67 114.76 3fki s ASP 19 Ca 0.10 1.49 0.26 0.00 -0.52 0.00 0.00 52.55 53.89 3fki s ASP 19 Cb -0.12 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.66 3fki s ASP 19 CO 0.02 -0.68 1.78 0.29 0.52 0.00 0.00 175.17 177.10 3fki n LYS 20 N 6.28 0.24 0.00 4.34 5.02 -1.26 -3.05 118.16 129.73 3fki n LYS 20 Ca 0.12 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 3fki n LYS 20 Cb 0.46 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3fki n LYS 20 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3fki n GLU 21 N -2.20 0.00 0.00 1.97 2.13 -1.26 -4.77 120.64 116.51 3fki n GLU 21 Ca 0.05 0.00 0.15 0.00 0.66 0.00 0.00 57.16 58.02 3fki n GLU 21 Cb 0.41 -0.26 0.75 0.00 0.27 0.00 0.00 31.44 32.61 3fki n GLU 21 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3fki n ASN 22 N -2.03 0.57 -2.84 4.31 3.02 -1.26 -4.99 115.26 112.03 3fki n ASN 22 Ca 0.00 -1.08 -0.07 0.00 -0.03 0.00 0.00 54.58 53.40 3fki n ASN 22 Cb 0.00 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3fki n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fki n ASN 23 N -0.61 -7.87 -3.73 6.41 3.02 -1.17 -5.08 115.26 106.23 3fki n ASN 23 Ca 0.21 0.80 -0.14 0.00 -0.03 0.00 0.00 54.58 55.42 3fki n ASN 23 Cb 0.22 -5.15 -0.08 0.00 -0.61 0.00 0.00 39.78 34.15 3fki n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fki s ARG 24 N -2.26 0.71 0.25 3.52 1.70 -1.26 -4.97 118.95 116.64 3fki s ARG 24 Ca 0.17 -0.11 -0.30 0.00 -0.47 0.00 0.00 55.73 55.02 3fki s ARG 24 Cb -0.04 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 3fki s ARG 24 CO 0.76 -0.20 1.15 -1.17 -1.08 0.00 0.00 175.30 174.77 3fki s LEU 25 N -1.26 4.51 -0.13 -1.89 2.96 -1.26 -2.05 118.68 119.55 3fki s LEU 25 Ca -0.13 2.30 -0.01 0.00 -0.22 0.00 0.00 54.13 56.07 3fki s LEU 25 Cb -0.05 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 43.06 3fki s LEU 25 CO 0.05 -0.25 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.04 3fki s LEU 26 N -1.08 1.14 -0.04 -0.68 1.43 -0.23 -2.42 118.68 116.79 3fki s LEU 26 Ca 0.48 -0.44 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 3fki s LEU 26 Cb -0.33 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 3fki s LEU 26 CO 0.41 -0.20 0.84 -0.36 0.23 0.00 0.00 176.35 177.27 3fki s PHE 27 N 1.79 3.61 0.07 0.29 0.40 0.12 -0.34 117.98 123.93 3fki s PHE 27 Ca 0.03 1.47 -0.01 0.00 -0.60 0.00 0.00 56.93 57.82 3fki s PHE 27 Cb -0.14 -2.97 -0.04 0.00 0.51 0.00 0.00 43.02 40.38 3fki s PHE 27 CO -0.07 0.03 -0.01 -1.83 0.70 0.00 0.00 175.22 174.03 3fki s GLU 28 N 0.95 0.70 0.21 0.44 4.04 0.11 -0.69 118.70 124.45 3fki s GLU 28 Ca 0.45 -1.28 0.08 0.00 0.04 0.00 0.00 54.97 54.26 3fki s GLU 28 Cb -0.19 0.18 -0.04 0.00 0.02 0.00 0.00 34.13 34.10 3fki s GLU 28 CO 0.23 -0.13 0.03 0.00 -1.84 0.00 0.00 175.26 173.54 3fki n ARG 30 N -0.48 2.53 0.08 0.00 1.74 -1.26 -4.48 116.66 114.79 3fki n ARG 30 Ca -0.08 -0.45 -0.22 0.00 -0.77 0.00 0.00 57.85 56.33 3fki n ARG 30 Cb 0.57 -0.96 -0.15 0.00 -1.02 0.00 0.00 32.46 30.90 3fki n ARG 30 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3fki h THR 31 N 0.67 1.34 -0.13 0.55 2.02 -1.96 -3.48 112.91 111.91 3fki h THR 31 Ca 0.00 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.60 3fki h THR 31 Cb 0.22 3.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 3fki h THR 31 CO 0.00 0.76 0.00 0.00 0.37 0.00 0.00 175.52 176.65 3fki n SER 33 N 0.00 0.93 -4.74 0.00 7.64 -1.26 -4.86 113.62 111.33 3fki n SER 33 Ca 0.00 -2.38 -0.42 0.00 1.01 0.00 0.00 58.87 57.09 3fki n SER 33 Cb 0.00 -0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 62.90 3fki n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3fki s TYR 34 N -1.11 2.82 -0.01 1.43 5.04 -1.26 -4.88 117.35 119.38 3fki s TYR 34 Ca 0.12 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 3fki s TYR 34 Cb 0.11 -4.08 0.01 0.00 0.35 0.00 0.00 41.96 38.34 3fki s TYR 34 CO 0.01 -3.79 -0.01 0.08 -1.34 0.00 0.00 175.55 170.50 3fki s VAL 35 N 0.40 0.11 0.05 3.14 1.01 -1.26 -1.76 120.40 122.10 3fki s VAL 35 Ca 0.67 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 3fki s VAL 35 Cb -0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3fki s VAL 35 CO 0.42 0.05 0.01 -1.83 0.00 0.00 0.00 175.10 173.75 3fki s GLU 36 N 0.19 0.59 0.94 2.72 -1.05 0.13 -5.00 118.70 117.22 3fki s GLU 36 Ca -0.02 -1.05 -0.13 0.00 -0.15 0.00 0.00 54.97 53.63 3fki s GLU 36 Cb -0.03 0.21 0.16 0.00 -0.44 0.00 0.00 34.13 34.02 3fki s GLU 36 CO -0.01 -0.12 1.14 -1.83 0.95 0.00 0.00 175.26 175.40 3fki s GLU 37 N -3.38 0.88 0.02 -4.83 -1.05 -1.26 -0.70 118.70 108.38 3fki s GLU 37 Ca 0.02 0.24 -0.20 0.00 -0.15 0.00 0.00 54.97 54.88 3fki s GLU 37 Cb 0.04 -1.81 -0.06 0.00 -0.44 0.00 0.00 34.13 31.86 3fki s GLU 37 CO -0.08 -2.36 0.59 0.00 0.95 0.00 0.00 175.26 174.36 3fki s ALA 38 N -3.27 3.52 -0.07 -0.84 0.00 -1.02 -4.58 121.76 115.49 3fki s ALA 38 Ca 0.65 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 3fki s ALA 38 Cb -0.14 -2.72 -0.18 0.00 0.00 0.00 0.00 23.12 20.08 3fki s ALA 38 CO 0.54 0.24 0.84 0.78 0.00 0.00 0.00 175.76 178.15 3fki h GLY 39 N 5.27 -0.11 -5.42 0.00 0.00 -1.96 -3.46 103.07 97.39 3fki h GLY 39 Ca -0.47 0.04 -0.43 0.00 0.00 0.00 0.00 47.33 46.47 3fki h GLY 39 CO 0.68 -0.04 -0.79 -1.35 0.00 0.00 0.00 176.54 175.04 3fki s SER 40 N -5.71 1.27 0.00 0.19 1.04 -1.26 -5.04 113.70 104.19 3fki s SER 40 Ca -0.14 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3fki s SER 40 Cb -0.00 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.83 3fki s SER 40 CO 0.53 0.09 0.30 -0.81 0.98 0.00 0.00 173.24 174.32 3fki n PRO 41 N 3.14 0.54 -3.33 4.02 -0.04 -1.26 -4.75 135.00 133.32 3fki n PRO 41 Ca -0.17 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.91 3fki n PRO 41 Cb 0.55 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.67 3fki n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3fki s LEU 42 N 0.00 4.16 -0.04 1.53 2.96 -1.26 -5.00 118.68 121.03 3fki s LEU 42 Ca 0.00 0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 3fki s LEU 42 Cb 0.00 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 3fki s LEU 42 CO 0.00 -0.11 0.22 0.58 -1.32 0.00 0.00 176.35 175.72 3fki h VAL 43 N 5.04 0.00 -2.44 1.68 2.07 -2.00 -3.49 116.25 117.11 3fki h VAL 43 Ca -0.36 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 3fki h VAL 43 Cb 1.16 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.76 3fki h VAL 43 CO 0.73 0.00 0.15 -0.72 0.02 0.00 0.00 177.57 177.74 3fki s TYR 44 N -1.84 -0.56 -0.14 1.57 -0.85 -1.26 -5.03 117.35 109.23 3fki s TYR 44 Ca -0.02 0.77 -0.01 0.00 -0.52 0.00 0.00 57.07 57.29 3fki s TYR 44 Cb 0.00 0.42 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 3fki s TYR 44 CO 0.05 -0.67 -0.10 0.50 -1.52 0.00 0.00 175.55 173.82 3fki s ARG 45 N -2.07 3.48 -0.08 -3.49 3.52 -1.26 -5.04 118.95 114.01 3fki s ARG 45 Ca -0.07 -0.63 -0.16 0.00 -0.13 0.00 0.00 55.73 54.74 3fki s ARG 45 Cb -0.01 -2.74 -0.13 0.00 -1.56 0.00 0.00 34.95 30.52 3fki s ARG 45 CO 0.02 0.20 0.60 1.25 -0.81 0.00 0.00 175.30 176.56 3fki h HIS 46 N 6.78 -0.16 -4.89 5.12 -0.00 -2.05 -3.50 115.15 116.45 3fki h HIS 46 Ca -0.28 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.09 3fki h HIS 46 Cb 1.20 0.05 -0.08 0.00 -0.00 0.00 0.00 27.41 28.58 3fki h HIS 46 CO 0.52 0.24 -1.36 -1.91 -0.00 0.00 0.00 177.93 175.41 3fki n GLU 47 N -4.86 -4.93 -0.13 5.26 2.13 -1.26 -5.04 120.64 111.82 3fki n GLU 47 Ca -0.06 3.64 -0.27 0.00 0.66 0.00 0.00 57.16 61.13 3fki n GLU 47 Cb 0.23 -4.97 -0.09 0.00 0.27 0.00 0.00 31.44 26.88 3fki n GLU 47 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3fki n LEU 48 N 1.79 1.95 -4.51 4.31 4.77 -1.26 -4.81 117.00 119.23 3fki n LEU 48 Ca -0.25 0.35 -0.43 0.00 -0.03 0.00 0.00 56.01 55.65 3fki n LEU 48 Cb 0.39 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 3fki n LEU 48 CO 0.23 0.44 0.53 -0.63 -1.33 0.00 0.00 177.39 176.63 3fki s ILE 49 N -2.55 4.66 0.01 -0.08 1.01 -1.26 -5.04 121.20 117.95 3fki s ILE 49 Ca -0.37 0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.43 3fki s ILE 49 Cb 0.13 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3fki s ILE 49 CO 0.49 -0.81 0.10 0.42 0.00 0.00 0.00 174.94 175.14 3fki s THR 50 N 3.23 4.81 -0.80 2.92 -4.23 -1.26 -4.99 115.64 115.32 3fki s THR 50 Ca 0.26 -0.43 0.11 0.00 -1.18 0.00 0.00 61.69 60.45 3fki s THR 50 Cb -0.14 -3.23 -0.06 0.00 1.34 0.00 0.00 72.50 70.41 3fki s THR 50 CO 0.19 0.31 0.58 0.59 -0.54 0.00 0.00 174.62 175.75 3fki n ASN 51 N 1.02 0.94 -4.80 3.99 4.13 -1.26 -5.03 115.26 114.25 3fki n ASN 51 Ca -0.12 -0.97 -0.32 0.00 1.68 0.00 0.00 54.58 54.86 3fki n ASN 51 Cb 0.52 0.72 0.04 0.00 -1.54 0.00 0.00 39.78 39.53 3fki n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3fki s ILE 52 N -1.75 3.81 0.00 2.41 -5.25 -1.26 -3.80 121.20 115.35 3fki s ILE 52 Ca 0.07 0.70 0.00 0.00 -0.99 0.00 0.00 60.65 60.43 3fki s ILE 52 Cb 0.09 -3.31 0.00 0.00 2.95 0.00 0.00 42.46 42.19 3fki s ILE 52 CO 0.37 -0.66 0.00 0.61 -1.79 0.00 0.00 174.94 173.47 3fki n GLY 53 N -1.43 2.88 0.18 6.27 0.00 -1.26 -4.71 105.19 107.12 3fki n GLY 53 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3fki n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fki h GLU 54 N 0.34 0.00 0.00 1.61 5.08 -1.92 -2.12 114.58 117.57 3fki h GLU 54 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3fki h GLU 54 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3fki h GLU 54 CO 0.00 0.00 -1.95 2.41 -1.00 0.00 0.00 179.01 178.47 3fki n THR 55 N -2.36 0.82 -1.65 1.13 -1.04 -1.26 -4.59 114.28 105.32 3fki n THR 55 Ca -0.01 -0.57 -0.64 0.00 -2.04 0.00 0.00 64.05 60.79 3fki n THR 55 Cb 0.05 -0.48 -0.09 0.00 -1.82 0.00 0.00 70.33 67.99 3fki n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fki n ALA 56 N -2.45 -2.09 -0.42 2.41 0.00 -0.80 -3.11 120.51 114.06 3fki n ALA 56 Ca -0.20 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3fki n ALA 56 Cb 0.87 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3fki n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fki n GLY 57 N 3.07 1.37 3.05 0.00 0.00 -1.26 -4.96 105.19 106.45 3fki n GLY 57 Ca 0.26 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3fki n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fki n VAL 58 N -1.05 4.57 -3.49 1.61 0.24 -1.18 -4.98 118.33 114.04 3fki n VAL 58 Ca 0.00 -4.88 -0.34 0.00 -2.04 0.00 0.00 64.34 57.09 3fki n VAL 58 Cb 0.09 -2.33 -0.05 0.00 -1.47 0.00 0.00 33.84 30.08 3fki n VAL 58 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3fki s VAL 59 N -0.22 5.00 -1.02 3.34 1.01 -1.26 -4.97 120.40 122.27 3fki s VAL 59 Ca 0.38 0.51 0.17 0.00 0.00 0.00 0.00 61.98 63.03 3fki s VAL 59 Cb 0.05 -3.66 0.15 0.00 0.00 0.00 0.00 36.38 32.91 3fki s VAL 59 CO 0.02 0.16 1.54 1.67 0.00 0.00 0.00 175.10 178.48 3fki n GLN 60 N 0.52 0.01 -0.12 2.72 -0.06 -1.26 -2.29 117.38 116.90 3fki n GLN 60 Ca -0.04 0.21 0.09 0.00 -2.00 0.00 0.00 57.00 55.25 3fki n GLN 60 Cb 0.52 -1.50 0.30 0.00 -4.06 0.00 0.00 30.24 25.50 3fki n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3fki n ASP 61 N -1.49 1.86 0.28 1.69 8.00 -1.26 -4.32 116.55 121.31 3fki n ASP 61 Ca 0.04 -1.82 0.18 0.00 0.71 0.00 0.00 54.79 53.90 3fki n ASP 61 Cb 0.19 -0.16 0.82 0.00 -0.02 0.00 0.00 41.12 41.95 3fki n ASP 61 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3fki h ILE 62 N 2.30 0.00 0.00 0.53 2.10 -1.84 -2.43 117.51 118.17 3fki h ILE 62 Ca 0.00 -0.32 -0.07 0.00 1.08 0.00 0.00 64.86 65.55 3fki h ILE 62 Cb 0.51 1.28 -0.01 0.00 -1.09 0.00 0.00 36.82 37.51 3fki h ILE 62 CO 0.00 0.00 -0.33 1.23 -1.08 0.00 0.00 178.15 177.97 3fki h GLY 63 N 1.41 0.00 2.00 8.18 0.00 -1.85 -3.10 103.07 109.71 3fki h GLY 63 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3fki h GLY 63 CO 0.00 0.00 -0.06 1.48 0.00 0.00 0.00 176.54 177.96 3fki h SER 64 N 0.00 0.00 -2.56 0.19 4.64 -1.77 -3.44 113.55 110.62 3fki h SER 64 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.76 3fki h SER 64 Cb 0.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3fki h SER 64 CO 0.04 0.06 1.17 -0.62 -0.87 0.00 0.00 176.83 176.62 3fki s ASP 65 N -6.00 6.41 0.05 4.97 -1.08 -1.18 -4.89 116.67 114.95 3fki s ASP 65 Ca 0.03 2.07 0.27 0.00 -0.52 0.00 0.00 52.55 54.41 3fki s ASP 65 Cb 0.08 -2.53 0.96 0.00 -1.46 0.00 0.00 42.92 39.97 3fki s ASP 65 CO 0.61 -1.17 1.76 -0.81 0.52 0.00 0.00 175.17 176.09 3fki n PRO 66 N 7.54 0.07 0.14 4.34 -0.05 -1.26 -3.81 135.00 141.97 3fki n PRO 66 Ca 0.19 0.05 0.12 0.00 -0.05 0.00 0.00 63.50 63.81 3fki n PRO 66 Cb 0.44 -1.57 0.12 0.00 -0.05 0.00 0.00 33.50 32.44 3fki n PRO 66 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 175.50 177.24 3fki h THR 67 N 0.00 0.00 -3.49 0.52 1.35 -1.97 -3.46 112.91 105.86 3fki h THR 67 Ca 0.00 -0.88 -0.53 0.00 -0.55 0.00 0.00 66.41 64.45 3fki h THR 67 Cb 0.56 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 68.56 3fki h THR 67 CO 0.00 0.00 0.18 -0.76 -0.25 0.00 0.00 175.52 174.69 3fki s LEU 68 N -5.43 4.53 0.75 3.87 1.43 -1.25 -5.06 118.68 117.53 3fki s LEU 68 Ca 0.04 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 3fki s LEU 68 Cb 0.09 -3.29 0.04 0.00 0.03 0.00 0.00 46.19 43.06 3fki s LEU 68 CO 0.72 0.12 1.08 -2.16 0.23 0.00 0.00 176.35 176.33 3fki s PRO 69 N -0.64 2.48 0.25 1.29 0.04 -1.26 -4.93 135.00 132.22 3fki s PRO 69 Ca 0.38 1.01 0.12 0.00 0.04 0.00 0.00 61.00 62.54 3fki s PRO 69 Cb -0.22 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3fki s PRO 69 CO 0.25 -1.44 -0.20 1.03 0.04 0.00 0.00 177.00 176.68 3fki s ARG 70 N -4.99 1.67 0.29 4.56 1.81 -1.26 -3.21 118.95 117.83 3fki s ARG 70 Ca 0.60 -1.67 0.04 0.00 -1.72 0.00 0.00 55.73 52.97 3fki s ARG 70 Cb -0.16 -1.82 -0.04 0.00 -0.45 0.00 0.00 34.95 32.49 3fki s ARG 70 CO 0.55 0.35 0.19 -1.54 -0.68 0.00 0.00 175.30 174.18 3fki s SER 71 N -3.26 1.29 -0.29 0.23 1.04 -0.70 -5.01 113.70 107.00 3fki s SER 71 Ca 0.27 -1.59 0.14 0.00 0.48 0.00 0.00 55.95 55.25 3fki s SER 71 Cb -0.06 0.45 0.48 0.00 0.10 0.00 0.00 66.02 66.99 3fki s SER 71 CO 0.14 -0.94 1.14 -0.90 0.98 0.00 0.00 173.24 173.66 3fki n ASP 72 N -1.00 3.40 -0.45 7.02 3.85 -1.26 -3.71 116.55 124.40 3fki n ASP 72 Ca 0.03 -2.99 0.00 0.00 -0.71 0.00 0.00 54.79 51.12 3fki n ASP 72 Cb 0.64 -0.41 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 3fki n ASP 72 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3fki n ARG 73 N -0.63 3.54 -3.66 0.11 1.74 -1.26 -4.96 116.66 111.54 3fki n ARG 73 Ca 0.27 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.20 3fki n ARG 73 Cb 0.88 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 32.24 3fki n ARG 73 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3fki s GLU 74 N 2.01 0.77 0.36 5.56 -1.05 -1.25 -4.28 118.70 120.83 3fki s GLU 74 Ca 0.00 0.26 -0.25 0.00 -0.15 0.00 0.00 54.97 54.83 3fki s GLU 74 Cb 0.00 0.36 -0.10 0.00 -0.44 0.00 0.00 34.13 33.96 3fki s GLU 74 CO 0.00 -0.19 0.99 0.00 0.95 0.00 0.00 175.26 177.01 3fki n PRO 76 N 0.26 0.04 0.00 0.00 -0.02 -1.26 -3.24 135.00 130.78 3fki n PRO 76 Ca 0.03 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3fki n PRO 76 Cb 0.50 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3fki n PRO 76 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3fki n LYS 77 N -1.63 0.00 0.00 -0.52 4.81 -1.26 -4.92 118.16 114.63 3fki n LYS 77 Ca -0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.57 3fki n LYS 77 Cb 0.16 -0.43 0.55 0.00 0.02 0.00 0.00 35.03 35.33 3fki n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3fki n HIS 79 N -1.04 -2.53 -4.29 0.00 8.25 -1.20 -4.96 115.22 109.45 3fki n HIS 79 Ca 0.13 1.03 -0.21 0.00 -0.26 0.00 0.00 57.72 58.41 3fki n HIS 79 Cb 0.30 -2.90 -0.11 0.00 1.12 0.00 0.00 29.99 28.40 3fki n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3fki s SER 80 N -2.56 2.41 -0.00 0.41 0.01 -1.26 -4.93 113.70 107.78 3fki s SER 80 Ca 0.12 -0.83 0.16 0.00 1.31 0.00 0.00 55.95 56.72 3fki s SER 80 Cb -0.02 -0.12 -0.18 0.00 0.21 0.00 0.00 66.02 65.91 3fki s SER 80 CO 0.85 -0.07 0.68 0.54 0.41 0.00 0.00 173.24 175.65 3fki n ARG 81 N 0.46 1.56 -3.10 12.44 1.74 -1.26 -3.86 116.66 124.64 3fki n ARG 81 Ca -0.15 -0.01 -0.45 0.00 -0.77 0.00 0.00 57.85 56.48 3fki n ARG 81 Cb 0.57 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 3fki n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3fki s GLU 82 N -2.57 3.31 -0.05 5.56 2.02 -1.26 -4.28 118.70 121.42 3fki s GLU 82 Ca 0.06 -1.65 0.05 0.00 0.02 0.00 0.00 54.97 53.44 3fki s GLU 82 Cb 0.12 -4.47 -0.00 0.00 0.10 0.00 0.00 34.13 29.88 3fki s GLU 82 CO 0.67 -1.57 -0.20 -0.80 0.02 0.00 0.00 175.26 173.39 3fki s ASN 83 N 3.33 2.48 -0.05 -0.19 0.01 -1.24 -3.07 114.94 116.21 3fki s ASN 83 Ca 0.19 -0.41 0.06 0.00 -0.71 0.00 0.00 52.86 51.99 3fki s ASN 83 Cb -0.16 -0.74 -0.02 0.00 0.41 0.00 0.00 41.25 40.74 3fki s ASN 83 CO -0.01 0.18 -0.22 0.54 -1.51 0.00 0.00 177.10 176.07 3fki s VAL 84 N 0.03 2.35 0.03 1.60 0.11 0.98 -1.73 120.40 123.78 3fki s VAL 84 Ca -0.05 -0.98 -0.00 0.00 -2.93 0.00 0.00 61.98 58.02 3fki s VAL 84 Cb -0.13 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.83 3fki s VAL 84 CO 0.03 0.58 -0.03 0.72 -3.33 0.00 0.00 175.10 173.07 3fki s PHE 85 N -0.44 0.40 0.19 1.54 -0.12 -1.20 -0.48 117.98 117.87 3fki s PHE 85 Ca 0.05 -0.76 0.04 0.00 -0.05 0.00 0.00 56.93 56.21 3fki s PHE 85 Cb -0.12 -0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 41.97 3fki s PHE 85 CO 0.01 -0.26 0.17 1.97 -0.05 0.00 0.00 175.22 177.06 3fki n PHE 86 N 0.95 -0.51 -3.33 3.49 1.16 -1.15 -4.31 117.46 113.77 3fki n PHE 86 Ca -0.20 -1.59 -0.19 0.00 -1.87 0.00 0.00 57.45 53.60 3fki n PHE 86 Cb 0.58 0.18 -0.01 0.00 -1.61 0.00 0.00 39.48 38.62 3fki n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3fki s GLN 87 N -2.75 2.63 0.18 3.97 -0.21 -1.26 -1.26 119.66 120.97 3fki s GLN 87 Ca 0.22 -1.44 -0.33 0.00 0.02 0.00 0.00 55.36 53.84 3fki s GLN 87 Cb 0.01 -2.53 -0.15 0.00 1.00 0.00 0.00 33.01 31.34 3fki s GLN 87 CO 0.16 -0.26 1.35 0.45 -2.12 0.00 0.00 175.29 174.87 3fki n SER 88 N -1.70 2.20 0.08 5.90 2.88 -1.26 -4.89 113.62 116.82 3fki n SER 88 Ca 0.06 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.85 3fki n SER 88 Cb 0.61 -1.32 0.38 0.00 -0.75 0.00 0.00 64.21 63.13 3fki n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fki n GLN 89 N 2.27 0.23 -1.98 -1.46 1.13 -1.26 -4.74 117.38 111.57 3fki n GLN 89 Ca 0.15 0.16 -0.42 0.00 -1.94 0.00 0.00 57.00 54.94 3fki n GLN 89 Cb 0.27 -1.74 -0.03 0.00 0.11 0.00 0.00 30.24 28.85 3fki n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3fki s GLN 90 N -3.10 4.03 -0.24 -1.09 0.74 -1.26 -4.89 119.66 113.85 3fki s GLN 90 Ca 0.10 2.09 0.06 0.00 0.05 0.00 0.00 55.36 57.66 3fki s GLN 90 Cb 0.13 -4.03 0.51 0.00 1.10 0.00 0.00 33.01 30.72 3fki s GLN 90 CO 0.61 -1.03 1.50 0.54 -0.55 0.00 0.00 175.29 176.37 3fki n ARG 91 N 7.37 2.71 -2.78 1.67 5.12 -1.26 -4.90 116.66 124.60 3fki n ARG 91 Ca 0.18 -2.10 -0.40 0.00 -1.93 0.00 0.00 57.85 53.60 3fki n ARG 91 Cb 0.43 -1.91 -0.06 0.00 -1.16 0.00 0.00 32.46 29.77 3fki n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3fki s ARG 92 N -2.23 4.79 0.49 5.56 3.52 -1.26 -4.96 118.95 124.87 3fki s ARG 92 Ca 0.38 1.44 0.17 0.00 -0.13 0.00 0.00 55.73 57.59 3fki s ARG 92 Cb 0.31 -3.29 1.20 0.00 -1.56 0.00 0.00 34.95 31.60 3fki s ARG 92 CO 0.09 0.47 2.06 0.87 -0.81 0.00 0.00 175.30 177.99 3fki h LYS 93 N 4.42 0.16 -1.25 5.12 1.57 -2.05 -2.90 116.57 121.63 3fki h LYS 93 Ca -0.45 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.15 3fki h LYS 93 Cb 1.20 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.39 3fki h LYS 93 CO 0.68 0.10 0.22 -0.40 -0.57 0.00 0.00 179.45 179.49 3fki n ASP 94 N -4.47 4.26 -4.79 0.86 3.85 -1.26 -4.91 116.55 110.09 3fki n ASP 94 Ca 0.04 -2.61 -0.39 0.00 -0.71 0.00 0.00 54.79 51.12 3fki n ASP 94 Cb 0.29 -0.78 -0.06 0.00 -1.35 0.00 0.00 41.12 39.22 3fki n ASP 94 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3fki s THR 95 N -1.17 4.87 0.33 2.12 -4.23 -1.10 -5.06 115.64 111.40 3fki s THR 95 Ca 0.18 1.16 -0.27 0.00 -1.18 0.00 0.00 61.69 61.57 3fki s THR 95 Cb 0.15 -3.88 -0.09 0.00 1.34 0.00 0.00 72.50 70.02 3fki s THR 95 CO 0.02 0.49 1.08 -0.94 -0.54 0.00 0.00 174.62 174.73 3fki s SER 96 N -0.66 7.06 0.00 3.99 1.04 -1.26 -4.93 113.70 118.94 3fki s SER 96 Ca 0.29 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.90 3fki s SER 96 Cb -0.18 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.33 3fki s SER 96 CO 0.17 -0.28 0.92 0.23 0.98 0.00 0.00 173.24 175.25 3fki n MET 97 N 0.70 0.94 -2.46 4.02 2.81 -1.26 -4.76 117.12 117.11 3fki n MET 97 Ca 0.01 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 3fki n MET 97 Cb 0.47 -1.05 -0.03 0.00 -0.71 0.00 0.00 33.22 31.89 3fki n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3fki s VAL 98 N 0.01 4.04 0.39 2.03 1.01 -1.26 -5.02 120.40 121.60 3fki s VAL 98 Ca 0.00 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.33 3fki s VAL 98 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 3fki s VAL 98 CO 0.00 0.16 0.87 -0.76 0.00 0.00 0.00 175.10 175.37 3fki s LEU 99 N 0.66 3.97 -0.34 3.92 1.43 -1.26 -4.31 118.68 122.75 3fki s LEU 99 Ca 0.56 1.52 0.01 0.00 -1.03 0.00 0.00 54.13 55.19 3fki s LEU 99 Cb -0.29 -4.36 0.09 0.00 0.03 0.00 0.00 46.19 41.66 3fki s LEU 99 CO 0.31 -0.31 0.07 -0.36 0.23 0.00 0.00 176.35 176.29 3fki s PHE 100 N -2.12 3.56 -0.05 0.29 0.40 -0.39 -2.87 117.98 116.80 3fki s PHE 100 Ca 0.59 -2.54 -0.22 0.00 -0.60 0.00 0.00 56.93 54.16 3fki s PHE 100 Cb -0.09 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.65 3fki s PHE 100 CO 0.15 -0.92 0.64 -0.06 0.70 0.00 0.00 175.22 175.73 3fki s PHE 101 N 1.06 3.60 -0.03 0.36 0.40 -0.77 -2.91 117.98 119.69 3fki s PHE 101 Ca 0.05 1.19 0.02 0.00 -0.60 0.00 0.00 56.93 57.59 3fki s PHE 101 Cb -0.20 -2.72 0.01 0.00 0.51 0.00 0.00 43.02 40.61 3fki s PHE 101 CO -0.05 0.17 -0.10 0.08 0.70 0.00 0.00 175.22 176.02 3fki s VAL 102 N 0.49 0.86 0.69 -0.44 1.01 0.37 -1.60 120.40 121.78 3fki s VAL 102 Ca 0.34 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 3fki s VAL 102 Cb -0.18 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.49 3fki s VAL 102 CO 0.17 0.27 0.98 0.00 0.00 0.00 0.00 175.10 176.53 3fki n LEU 104 N -2.85 2.10 -4.68 0.00 4.77 -1.17 -3.92 117.00 111.24 3fki n LEU 104 Ca 0.08 0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 56.01 3fki n LEU 104 Cb 0.60 -1.00 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 3fki n LEU 104 CO 0.51 0.46 0.42 -0.44 -1.33 0.00 0.00 177.39 177.02 3fki s SER 105 N -6.94 6.84 0.00 -1.43 0.01 -1.26 -4.19 113.70 106.73 3fki s SER 105 Ca -0.28 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.01 3fki s SER 105 Cb 0.07 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.91 3fki s SER 105 CO 0.63 -0.23 0.00 0.00 0.41 0.00 0.00 173.24 174.05 3fki n SER 107 N 2.09 -7.60 -4.75 0.00 7.64 -1.25 -5.02 113.62 104.74 3fki n SER 107 Ca 0.00 -0.04 -0.36 0.00 1.01 0.00 0.00 58.87 59.48 3fki n SER 107 Cb 0.00 -5.03 -0.08 0.00 -1.01 0.00 0.00 64.21 58.08 3fki n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3fki s HIS 108 N -2.92 3.31 -0.29 1.43 5.65 -1.26 -4.79 115.29 116.41 3fki s HIS 108 Ca 0.04 0.31 -0.17 0.00 0.25 0.00 0.00 55.06 55.48 3fki s HIS 108 Cb -0.01 -1.84 -0.02 0.00 -1.18 0.00 0.00 32.58 29.53 3fki s HIS 108 CO 0.76 0.56 0.49 0.42 -0.65 0.00 0.00 174.74 176.32 3fki s ILE 109 N -0.93 5.07 -0.01 0.89 1.01 -1.26 -3.65 121.20 122.32 3fki s ILE 109 Ca 0.14 0.65 0.02 0.00 0.00 0.00 0.00 60.65 61.46 3fki s ILE 109 Cb -0.12 -3.85 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 3fki s ILE 109 CO 0.03 -0.00 -0.07 0.72 0.00 0.00 0.00 174.94 175.62 3fki s PHE 110 N 2.30 0.67 0.32 3.97 -0.12 -0.62 -4.85 117.98 119.65 3fki s PHE 110 Ca 0.19 -0.13 -0.04 0.00 -0.05 0.00 0.00 56.93 56.90 3fki s PHE 110 Cb -0.16 -0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 41.74 3fki s PHE 110 CO 0.11 -0.03 0.58 0.99 -0.05 0.00 0.00 175.22 176.82 3fki s THR 111 N -0.07 5.02 -1.17 -4.49 2.01 -1.26 -1.85 115.64 113.82 3fki s THR 111 Ca 0.01 -0.02 0.14 0.00 0.31 0.00 0.00 61.69 62.14 3fki s THR 111 Cb -0.04 -3.77 0.59 0.00 0.01 0.00 0.00 72.50 69.29 3fki s THR 111 CO -0.00 -0.42 1.47 -1.54 -0.69 0.00 0.00 174.62 173.43 3fki n SER 112 N -1.24 4.00 -4.73 3.53 3.41 -1.14 -4.95 113.62 112.50 3fki n SER 112 Ca -0.02 -2.38 -0.41 0.00 -0.26 0.00 0.00 58.87 55.79 3fki n SER 112 Cb 0.54 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 3fki n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fki s ASP 113 N -0.80 7.03 -0.32 4.04 -1.08 -1.26 -4.92 116.67 119.36 3fki s ASP 113 Ca 0.42 2.21 0.08 0.00 -0.52 0.00 0.00 52.55 54.74 3fki s ASP 113 Cb 0.27 -2.60 0.53 0.00 -1.46 0.00 0.00 42.92 39.67 3fki s ASP 113 CO 0.20 -0.44 1.54 0.00 0.52 0.00 0.00 175.17 176.98 3fki n GLN 114 N 3.01 1.89 0.00 4.34 6.02 -1.26 -4.54 117.38 126.83 3fki n GLN 114 Ca 0.06 -3.17 0.00 0.00 -0.01 0.00 0.00 57.00 53.88 3fki n GLN 114 Cb 0.45 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 29.83 3fki n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3fki n LYS 115 N -1.13 0.00 -4.52 -1.09 5.02 -1.26 -5.11 118.16 110.06 3fki n LYS 115 Ca 0.38 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.32 3fki n LYS 115 Cb 1.14 -0.56 -0.11 0.00 -0.02 0.00 0.00 35.03 35.48 3fki n LYS 115 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fki s ASN 116 N -3.40 4.85 -0.37 4.39 2.47 -1.26 -5.10 114.94 116.53 3fki s ASN 116 Ca 0.00 0.03 -0.11 0.00 0.42 0.00 0.00 52.86 53.20 3fki s ASN 116 Cb 0.00 -1.27 0.02 0.00 -1.45 0.00 0.00 41.25 38.56 3fki s ASN 116 CO 0.00 0.36 0.21 -0.54 -3.72 0.00 0.00 177.10 173.41 3fki s LYS 117 N -0.90 2.89 0.19 0.43 1.02 -1.26 -4.85 119.74 117.26 3fki s LYS 117 Ca 0.13 -1.04 0.11 0.00 0.02 0.00 0.00 55.97 55.20 3fki s LYS 117 Cb -0.11 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 3fki s LYS 117 CO 0.02 -0.67 -0.23 1.03 -0.92 0.00 0.00 175.35 174.58 3fki s ARG 118 N 1.57 1.55 -0.20 1.68 0.52 -1.26 -5.03 118.95 117.77 3fki s ARG 118 Ca 0.02 -1.49 0.07 0.00 -0.52 0.00 0.00 55.73 53.81 3fki s ARG 118 Cb -0.19 -1.87 -0.21 0.00 0.52 0.00 0.00 34.95 33.19 3fki s ARG 118 CO 0.07 0.41 0.04 2.41 0.02 0.00 0.00 175.30 178.24 3fki n THR 119 N 0.31 1.52 2.00 0.02 -1.04 -1.26 -4.95 114.28 110.87 3fki n THR 119 Ca -0.13 -0.69 0.16 0.00 -2.04 0.00 0.00 64.05 61.35 3fki n THR 119 Cb 0.56 -1.14 0.95 0.00 -1.82 0.00 0.00 70.33 68.88 3fki n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43