#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4j n SER 12 N 0.00 0.99 -4.72 1.61 3.41 -1.26 -4.96 113.62 108.69 2k4j n SER 12 Ca 0.00 -0.80 -0.42 0.00 -0.26 0.00 0.00 58.87 57.39 2k4j n SER 12 Cb 0.00 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 2k4j n SER 12 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2k4j s GLU 13 N -2.65 4.30 -0.30 4.33 2.02 -1.26 -5.01 118.70 120.13 2k4j s GLU 13 Ca 0.20 2.14 -0.13 0.00 0.02 0.00 0.00 54.97 57.19 2k4j s GLU 13 Cb 0.19 -3.22 0.14 0.00 0.10 0.00 0.00 34.13 31.33 2k4j s GLU 13 CO 0.59 -0.46 0.83 -2.00 0.02 0.00 0.00 175.26 174.23 2k4j s GLU 14 N 1.03 0.45 -0.03 1.61 2.12 -1.26 -5.09 118.70 117.53 2k4j s GLU 14 Ca 0.65 1.06 -0.20 0.00 0.36 0.00 0.00 54.97 56.84 2k4j s GLU 14 Cb -0.38 0.56 -0.32 0.00 0.26 0.00 0.00 34.13 34.24 2k4j s GLU 14 CO 0.31 -0.14 0.89 0.28 -0.54 0.00 0.00 175.26 176.06 2k4j h VAL 15 N 5.61 1.42 -1.01 3.70 2.07 -2.03 -3.37 116.25 122.64 2k4j h VAL 15 Ca -0.19 -2.57 -0.67 0.00 0.82 0.00 0.00 66.70 64.09 2k4j h VAL 15 Cb 1.13 3.13 -0.12 0.00 -1.52 0.00 0.00 31.29 33.90 2k4j h VAL 15 CO 0.11 0.74 2.07 -1.20 0.02 0.00 0.00 177.57 179.31 2k4j n SER 16 N -4.00 7.73 -4.70 0.57 7.64 -1.26 -5.01 113.62 114.59 2k4j n SER 16 Ca -0.16 -3.09 -0.40 0.00 1.01 0.00 0.00 58.87 56.23 2k4j n SER 16 Cb 0.90 -1.35 0.02 0.00 -1.01 0.00 0.00 64.21 62.77 2k4j n SER 16 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2k4j n GLU 17 N 1.73 1.88 -1.67 1.43 0.28 -1.26 -2.78 120.64 120.25 2k4j n GLU 17 Ca 0.61 0.67 -0.29 0.00 -0.16 0.00 0.00 57.16 57.99 2k4j n GLU 17 Cb 0.32 -2.41 0.11 0.00 1.43 0.00 0.00 31.44 30.90 2k4j n GLU 17 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2k4j s PRO 18 N -2.31 1.63 0.25 3.44 0.04 -1.26 -4.57 135.00 132.21 2k4j s PRO 18 Ca 0.63 0.30 0.03 0.00 0.04 0.00 0.00 61.00 61.99 2k4j s PRO 18 Cb -0.49 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 2k4j s PRO 18 CO 0.57 -1.86 0.04 0.20 0.04 0.00 0.00 177.00 175.98 2k4j s GLY 19 N -4.19 1.68 -0.08 0.56 0.00 -0.57 -4.97 107.32 99.75 2k4j s GLY 19 Ca 0.62 -1.84 -0.18 0.00 0.00 0.00 0.00 44.72 43.33 2k4j s GLY 19 CO 0.52 -1.65 0.42 -0.35 0.00 0.00 0.00 173.10 172.04 2k4j s ASP 20 N -3.33 -0.37 -0.24 1.64 -1.08 -1.26 -0.29 116.67 111.75 2k4j s ASP 20 Ca 0.33 0.49 -0.03 0.00 -0.52 0.00 0.00 52.55 52.81 2k4j s ASP 20 Cb 0.07 0.57 0.13 0.00 -1.46 0.00 0.00 42.92 42.23 2k4j s ASP 20 CO 0.11 -0.37 0.39 0.00 0.52 0.00 0.00 175.17 175.83 2k4j s ALA 21 N -0.72 -1.15 0.00 3.66 0.00 -0.10 -4.99 121.76 118.46 2k4j s ALA 21 Ca -0.08 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2k4j s ALA 21 Cb -0.04 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2k4j s ALA 21 CO 0.04 -1.17 0.00 0.09 0.00 0.00 0.00 175.76 174.71 2k4j n ASN 22 N 5.37 0.00 0.08 0.00 3.02 -1.26 -1.61 115.26 120.86 2k4j n ASN 22 Ca -0.04 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.63 2k4j n ASN 22 Cb 0.50 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.82 2k4j n ASN 22 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2k4j h ILE 23 N 0.00 0.00 -3.68 2.41 5.03 -1.96 -3.49 117.51 115.82 2k4j h ILE 23 Ca 0.00 -0.60 -0.28 0.00 -0.12 0.00 0.00 64.86 63.86 2k4j h ILE 23 Cb 0.00 1.20 -0.16 0.00 -3.03 0.00 0.00 36.82 34.83 2k4j h ILE 23 CO 0.00 0.00 -0.71 0.72 -0.68 0.00 0.00 178.15 177.48 2k4j s PHE 24 N -3.20 1.03 -0.04 1.37 -0.71 -0.64 -1.64 117.98 114.15 2k4j s PHE 24 Ca 0.05 -0.77 0.03 0.00 -1.04 0.00 0.00 56.93 55.20 2k4j s PHE 24 Cb 0.12 -0.56 0.00 0.00 -1.21 0.00 0.00 43.02 41.37 2k4j s PHE 24 CO 0.73 -0.04 -0.12 0.50 -1.34 0.00 0.00 175.22 174.95 2k4j s ARG 25 N -3.37 1.35 -0.21 1.99 3.52 -0.28 -0.93 118.95 121.01 2k4j s ARG 25 Ca 0.10 -0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 55.17 2k4j s ARG 25 Cb 0.01 -1.20 -0.05 0.00 -1.56 0.00 0.00 34.95 32.16 2k4j s ARG 25 CO -0.02 0.14 0.18 0.54 -0.81 0.00 0.00 175.30 175.33 2k4j s VAL 26 N 0.22 5.36 -0.52 7.11 0.11 0.61 -0.80 120.40 132.50 2k4j s VAL 26 Ca -0.05 0.26 -0.16 0.00 -2.93 0.00 0.00 61.98 59.09 2k4j s VAL 26 Cb -0.11 -3.52 0.10 0.00 -1.53 0.00 0.00 36.38 31.33 2k4j s VAL 26 CO 0.01 0.38 0.48 -0.62 -3.33 0.00 0.00 175.10 172.03 2k4j s ASP 27 N 0.72 6.18 0.36 3.54 -1.08 -0.06 -1.51 116.67 124.82 2k4j s ASP 27 Ca 0.09 -1.52 0.24 0.00 -0.52 0.00 0.00 52.55 50.84 2k4j s ASP 27 Cb -0.13 -2.21 0.53 0.00 -1.46 0.00 0.00 42.92 39.66 2k4j s ASP 27 CO 0.02 -0.80 1.68 0.11 0.52 0.00 0.00 175.17 176.70 2k4j h LYS 28 N 8.87 0.00 0.01 4.34 1.57 -1.81 -0.37 116.57 129.18 2k4j h LYS 28 Ca -0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2k4j h LYS 28 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2k4j h LYS 28 CO 0.98 0.00 -0.00 0.22 -0.57 0.00 0.00 179.45 180.07 2k4j h ASP 29 N 0.00 -0.01 0.46 0.86 3.58 -1.84 -3.36 116.42 116.11 2k4j h ASP 29 Ca 0.00 -0.77 0.00 0.00 0.42 0.00 0.00 57.03 56.68 2k4j h ASP 29 Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2k4j h ASP 29 CO 0.00 0.86 -0.38 -1.20 -2.88 0.00 0.00 179.24 175.64 2k4j n SER 30 N -4.67 0.60 -1.97 2.28 7.64 -1.25 -4.99 113.62 111.27 2k4j n SER 30 Ca -0.08 -0.39 -0.08 0.00 1.01 0.00 0.00 58.87 59.33 2k4j n SER 30 Cb 0.38 0.16 0.04 0.00 -1.01 0.00 0.00 64.21 63.77 2k4j n SER 30 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k4j n ARG 31 N -1.25 -3.06 -4.50 1.43 3.00 -0.27 -5.04 116.66 106.96 2k4j n ARG 31 Ca 0.08 0.36 -0.24 0.00 -0.00 0.00 0.00 57.85 58.05 2k4j n ARG 31 Cb 0.34 -3.95 -0.10 0.00 0.00 0.00 0.00 32.46 28.74 2k4j n ARG 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2k4j s GLU 32 N -4.94 1.72 -0.05 -0.14 2.02 -0.47 -4.36 118.70 112.48 2k4j s GLU 32 Ca 0.09 -1.88 -0.00 0.00 0.02 0.00 0.00 54.97 53.19 2k4j s GLU 32 Cb -0.04 -1.49 0.03 0.00 0.10 0.00 0.00 34.13 32.73 2k4j s GLU 32 CO 0.31 0.10 -0.01 0.14 0.02 0.00 0.00 175.26 175.82 2k4j s VAL 33 N -2.77 0.33 -0.18 2.63 -7.23 0.47 -0.88 120.40 112.77 2k4j s VAL 33 Ca 0.31 0.08 -0.09 0.00 -1.81 0.00 0.00 61.98 60.47 2k4j s VAL 33 Cb 0.03 -0.45 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 2k4j s VAL 33 CO 0.15 0.22 0.13 -0.31 -0.31 0.00 0.00 175.10 174.98 2k4j s TYR 34 N 1.50 3.45 0.10 2.82 1.51 0.02 -0.91 117.35 125.84 2k4j s TYR 34 Ca -0.02 0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.42 2k4j s TYR 34 Cb -0.13 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2k4j s TYR 34 CO -0.03 0.40 0.23 -1.64 -1.11 0.00 0.00 175.55 173.39 2k4j s MET 35 N 0.02 3.38 0.55 -0.62 -1.94 -0.33 -1.13 119.30 119.24 2k4j s MET 35 Ca 0.10 -0.54 0.32 0.00 -1.71 0.00 0.00 55.69 53.86 2k4j s MET 35 Cb -0.11 -2.97 1.48 0.00 2.01 0.00 0.00 34.83 35.23 2k4j s MET 35 CO -0.00 0.57 1.84 1.25 -0.01 0.00 0.00 175.02 178.66 2k4j h HIS 36 N 2.69 0.00 0.00 -0.03 2.76 -1.72 -1.03 115.15 117.83 2k4j h HIS 36 Ca -0.47 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 57.56 2k4j h HIS 36 Cb 1.18 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 2k4j h HIS 36 CO 0.58 0.00 -1.28 1.05 -1.30 0.00 0.00 177.93 176.98 2k4j h GLU 37 N 0.00 0.00 -1.50 5.26 9.09 -1.95 -3.50 114.58 121.98 2k4j h GLU 37 Ca 0.43 0.00 0.19 0.00 0.05 0.00 0.00 59.36 60.03 2k4j h GLU 37 Cb 1.84 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 28.72 2k4j h GLU 37 CO -0.00 0.27 0.74 -1.59 0.05 0.00 0.00 179.01 178.47 2k4j s LYS 38 N -2.98 0.39 0.41 1.06 0.00 -0.39 -5.10 119.74 113.12 2k4j s LYS 38 Ca -0.02 -0.04 -0.23 0.00 0.00 0.00 0.00 55.97 55.68 2k4j s LYS 38 Cb 0.09 0.18 -0.10 0.00 0.00 0.00 0.00 37.83 38.00 2k4j s LYS 38 CO 0.80 -0.15 1.00 -1.59 0.00 0.00 0.00 175.35 175.41 2k4j s LYS 39 N -1.85 4.22 0.07 1.78 -2.85 -1.26 -1.18 119.74 118.66 2k4j s LYS 39 Ca 0.06 1.33 -0.05 0.00 -1.00 0.00 0.00 55.97 56.32 2k4j s LYS 39 Cb -0.01 -2.42 -0.02 0.00 -2.06 0.00 0.00 37.83 33.32 2k4j s LYS 39 CO -0.04 -0.06 0.07 -0.51 0.10 0.00 0.00 175.35 174.91 2k4j s LEU 40 N -2.80 1.98 -0.21 2.77 1.43 -0.09 -4.91 118.68 116.85 2k4j s LEU 40 Ca 0.59 -0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 52.57 2k4j s LEU 40 Cb -0.17 0.59 0.09 0.00 0.03 0.00 0.00 46.19 46.73 2k4j s LEU 40 CO 0.21 -0.66 0.83 1.51 0.23 0.00 0.00 176.35 178.47 2k4j s ASP 41 N -2.90 -0.60 0.00 2.29 -4.77 -1.26 -0.40 116.67 109.04 2k4j s ASP 41 Ca 0.06 0.98 0.00 0.00 -3.30 0.00 0.00 52.55 50.30 2k4j s ASP 41 Cb 0.07 0.94 0.00 0.00 -1.09 0.00 0.00 42.92 42.83 2k4j s ASP 41 CO -0.10 -0.32 0.00 -0.11 0.70 0.00 0.00 175.17 175.34 2k4j n LEU 42 N 1.88 0.00 -4.26 2.11 7.94 -1.26 -4.85 117.00 118.55 2k4j n LEU 42 Ca -0.14 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.61 2k4j n LEU 42 Cb 0.56 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.41 2k4j n LEU 42 CO 0.09 0.00 -0.23 0.42 -1.11 0.00 0.00 177.39 176.57 2k4j s THR 43 N 0.00 0.21 0.16 1.96 -4.23 -1.26 -5.03 115.64 107.46 2k4j s THR 43 Ca 0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 2k4j s THR 43 Cb 0.00 -2.54 0.08 0.00 1.34 0.00 0.00 72.50 71.38 2k4j s THR 43 CO 0.00 0.00 1.66 -0.09 -0.54 0.00 0.00 174.62 175.65 2k4j h ARG 44 N 2.45 -0.06 0.05 3.99 1.12 -1.99 -0.51 114.38 119.43 2k4j h ARG 44 Ca -0.35 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.53 2k4j h ARG 44 Cb 1.25 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.21 2k4j h ARG 44 CO 0.54 -0.04 -0.08 0.00 -3.11 0.00 0.00 179.97 177.28 2k4j h ALA 45 N 1.26 -0.13 -0.60 2.80 0.00 -1.97 -1.33 119.26 119.30 2k4j h ALA 45 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2k4j h ALA 45 Cb 0.34 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2k4j h ALA 45 CO -0.41 -0.59 0.07 0.93 0.00 0.00 0.00 179.25 179.25 2k4j h GLU 46 N -0.17 0.98 -0.41 0.00 3.07 -1.93 -1.52 114.58 114.60 2k4j h GLU 46 Ca 0.01 -0.26 0.09 0.00 -0.50 0.00 0.00 59.36 58.70 2k4j h GLU 46 Cb 0.18 -0.12 -0.09 0.00 -0.84 0.00 0.00 28.75 27.88 2k4j h GLU 46 CO -0.05 0.92 -0.21 -0.92 -1.40 0.00 0.00 179.01 177.36 2k4j h TYR 47 N 0.92 -0.53 -0.64 4.33 3.20 -0.83 -0.35 116.97 123.07 2k4j h TYR 47 Ca 0.18 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.21 2k4j h TYR 47 Cb 0.43 0.30 -0.08 0.00 1.54 0.00 0.00 36.73 38.92 2k4j h TYR 47 CO 0.03 -0.29 0.21 0.93 -1.64 0.00 0.00 178.16 177.40 2k4j h GLU 48 N -0.13 0.35 0.27 1.82 5.08 -0.25 -0.85 114.58 120.87 2k4j h GLU 48 Ca 0.20 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2k4j h GLU 48 Cb 0.44 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k4j h GLU 48 CO -0.49 0.23 -0.15 0.82 -1.00 0.00 0.00 179.01 178.42 2k4j h ILE 49 N 0.36 0.69 -0.50 3.13 2.04 -0.72 -1.65 117.51 120.86 2k4j h ILE 49 Ca 0.33 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.18 2k4j h ILE 49 Cb 0.47 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2k4j h ILE 49 CO -0.36 0.00 0.28 -0.07 0.00 0.00 0.00 178.15 177.99 2k4j h LEU 50 N -0.39 0.63 0.07 1.44 4.07 -0.50 0.25 115.31 120.88 2k4j h LEU 50 Ca -0.03 -0.09 0.01 0.00 0.08 0.00 0.00 57.88 57.84 2k4j h LEU 50 Cb 0.31 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 2k4j h LEU 50 CO 0.05 0.54 -0.09 0.28 -1.08 0.00 0.00 178.44 178.13 2k4j h SER 51 N 0.67 -0.25 -0.30 -0.43 0.02 -1.18 0.56 113.55 112.63 2k4j h SER 51 Ca 0.18 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 2k4j h SER 51 Cb 0.05 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2k4j h SER 51 CO -0.03 -0.14 -0.07 0.25 -1.14 0.00 0.00 176.83 175.69 2k4j h LEU 52 N -0.20 0.68 0.02 5.07 7.12 -1.00 -1.09 115.31 125.91 2k4j h LEU 52 Ca 0.01 -0.18 -0.00 0.00 0.13 0.00 0.00 57.88 57.84 2k4j h LEU 52 Cb 0.20 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 2k4j h LEU 52 CO -0.04 0.80 -0.01 0.25 -0.13 0.00 0.00 178.44 179.31 2k4j h LEU 53 N 0.65 -0.03 -1.15 2.25 6.46 -0.37 0.13 115.31 123.26 2k4j h LEU 53 Ca 0.12 -0.57 0.19 0.00 -0.12 0.00 0.00 57.88 57.50 2k4j h LEU 53 Cb 0.51 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.36 2k4j h LEU 53 CO 0.03 0.57 0.61 0.40 -0.62 0.00 0.00 178.44 179.43 2k4j h ILE 54 N -0.64 0.71 -0.50 4.05 1.08 -0.89 0.63 117.51 121.95 2k4j h ILE 54 Ca -0.00 -0.23 -0.10 0.00 -0.39 0.00 0.00 64.86 64.13 2k4j h ILE 54 Cb 0.60 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 2k4j h ILE 54 CO 0.01 0.12 -0.10 -1.28 -0.69 0.00 0.00 178.15 176.21 2k4j h SER 55 N 0.68 0.90 -0.21 1.72 0.87 -0.96 -3.25 113.55 113.30 2k4j h SER 55 Ca 0.55 -0.28 -0.11 0.00 -1.23 0.00 0.00 61.79 60.72 2k4j h SER 55 Cb 0.96 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2k4j h SER 55 CO -0.32 1.02 -0.28 0.07 -0.53 0.00 0.00 176.83 176.79 2k4j h LYS 56 N 0.82 0.57 0.00 2.24 2.10 0.25 -3.50 116.57 119.05 2k4j h LYS 56 Ca 0.13 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2k4j h LYS 56 Cb 0.62 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2k4j h LYS 56 CO 0.04 0.93 0.00 0.36 -2.00 0.00 0.00 179.45 178.78 2k4j n LYS 57 N -4.35 0.00 -0.17 0.07 2.85 0.12 -5.04 118.16 111.65 2k4j n LYS 57 Ca -0.05 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.18 2k4j n LYS 57 Cb 0.46 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.88 2k4j n LYS 57 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2k4j h GLY 58 N 0.00 0.28 0.00 2.58 0.00 -1.77 -3.41 103.07 100.76 2k4j h GLY 58 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2k4j h GLY 58 CO 0.00 -0.21 0.00 2.98 0.00 0.00 0.00 176.54 179.31 2k4j n TYR 59 N -5.39 0.00 -3.92 5.60 9.36 -0.78 -3.93 117.16 118.09 2k4j n TYR 59 Ca 0.05 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.05 2k4j n TYR 59 Cb 0.30 0.04 -0.17 0.00 -0.63 0.00 0.00 39.34 38.88 2k4j n TYR 59 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2k4j s VAL 60 N 0.00 0.46 -0.93 2.97 0.11 -1.26 -1.26 120.40 120.49 2k4j s VAL 60 Ca 0.00 0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 58.82 2k4j s VAL 60 Cb 0.00 -0.56 -0.07 0.00 -1.53 0.00 0.00 36.38 34.22 2k4j s VAL 60 CO 0.00 0.25 2.02 -0.36 -3.33 0.00 0.00 175.10 173.68 2k4j s PHE 61 N 1.55 1.70 0.05 1.54 0.08 0.60 -4.90 117.98 118.60 2k4j s PHE 61 Ca -0.01 0.88 0.07 0.00 0.12 0.00 0.00 56.93 57.98 2k4j s PHE 61 Cb -0.13 -3.92 -0.03 0.00 -0.57 0.00 0.00 43.02 38.37 2k4j s PHE 61 CO -0.03 -1.61 -0.16 -1.12 -0.10 0.00 0.00 175.22 172.20 2k4j s SER 62 N 8.28 3.98 0.31 1.36 0.01 -1.26 -1.54 113.70 124.84 2k4j s SER 62 Ca 0.74 -0.40 0.08 0.00 1.31 0.00 0.00 55.95 57.68 2k4j s SER 62 Cb -0.07 -0.69 0.88 0.00 0.21 0.00 0.00 66.02 66.35 2k4j s SER 62 CO 0.03 0.24 1.69 0.08 0.41 0.00 0.00 173.24 175.69 2k4j h ARG 63 N 4.35 0.40 0.07 12.44 -0.00 -1.88 0.20 114.38 129.96 2k4j h ARG 63 Ca -0.48 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.98 59.47 2k4j h ARG 63 Cb 1.16 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 31.04 2k4j h ARG 63 CO 0.49 0.26 -0.04 1.49 -0.00 0.00 0.00 179.97 182.17 2k4j h GLU 64 N 0.41 -0.09 -0.95 0.08 4.81 -1.83 -1.37 114.58 115.64 2k4j h GLU 64 Ca 0.64 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.87 2k4j h GLU 64 Cb 1.30 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 2k4j h GLU 64 CO -0.55 0.43 0.58 1.03 -0.73 0.00 0.00 179.01 179.77 2k4j h SER 65 N -0.70 1.14 -0.13 1.04 0.87 -1.69 -0.05 113.55 114.03 2k4j h SER 65 Ca -0.01 -0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.53 2k4j h SER 65 Cb 0.57 -0.29 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 2k4j h SER 65 CO 0.02 0.86 -0.24 0.40 -0.53 0.00 0.00 176.83 177.34 2k4j h ILE 66 N 1.31 0.41 0.00 2.23 1.08 -0.71 -0.43 117.51 121.40 2k4j h ILE 66 Ca 0.34 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.78 2k4j h ILE 66 Cb -0.07 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.09 2k4j h ILE 66 CO -0.07 0.00 -0.15 0.00 -0.69 0.00 0.00 178.15 177.25 2k4j h ALA 67 N 0.64 1.30 -0.00 1.87 0.00 -0.68 0.20 119.26 122.59 2k4j h ALA 67 Ca 0.10 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2k4j h ALA 67 Cb 0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k4j h ALA 67 CO -0.31 0.19 -0.92 0.82 0.00 0.00 0.00 179.25 179.03 2k4j h ILE 68 N 0.00 1.41 0.10 0.00 2.04 -0.47 -3.18 117.51 117.42 2k4j h ILE 68 Ca -0.00 -2.46 -0.25 0.00 1.00 0.00 0.00 64.86 63.15 2k4j h ILE 68 Cb 0.39 2.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 2k4j h ILE 68 CO 0.02 0.73 -1.29 -0.08 0.00 0.00 0.00 178.15 177.53 2k4j h GLU 69 N 0.21 0.22 0.00 2.37 4.57 -0.19 -3.42 114.58 118.34 2k4j h GLU 69 Ca -0.07 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 2k4j h GLU 69 Cb 1.55 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.28 2k4j h GLU 69 CO 0.16 1.18 -0.29 0.66 -1.18 0.00 0.00 179.01 179.54 2k4j h SER 70 N -0.39 0.00 0.00 1.04 4.64 -1.20 -3.40 113.55 114.24 2k4j h SER 70 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2k4j h SER 70 Cb 1.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 2k4j h SER 70 CO 0.04 0.46 0.00 1.21 -0.87 0.00 0.00 176.83 177.67 2k4j n GLU 71 N -3.76 -0.29 0.00 4.77 2.13 -1.20 -4.89 120.64 117.39 2k4j n GLU 71 Ca -0.04 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2k4j n GLU 71 Cb 0.15 -3.27 0.00 0.00 0.27 0.00 0.00 31.44 28.59 2k4j n GLU 71 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2k4j n SER 72 N -0.14 0.25 -4.04 4.31 7.64 -1.26 -4.78 113.62 115.60 2k4j n SER 72 Ca 0.00 -0.92 -0.22 0.00 1.01 0.00 0.00 58.87 58.74 2k4j n SER 72 Cb 0.07 -0.12 -0.16 0.00 -1.01 0.00 0.00 64.21 62.99 2k4j n SER 72 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k4j s ILE 73 N -1.46 0.95 -0.01 0.44 -1.09 -1.26 -5.11 121.20 113.66 2k4j s ILE 73 Ca 0.00 -0.45 -0.23 0.00 -2.23 0.00 0.00 60.65 57.74 2k4j s ILE 73 Cb 0.00 -0.83 -0.16 0.00 -1.58 0.00 0.00 42.46 39.89 2k4j s ILE 73 CO 0.00 0.29 1.06 0.78 -1.23 0.00 0.00 174.94 175.84 2k4j h ASN 74 N 6.32 -0.33 -3.99 3.58 2.35 -2.02 -3.45 115.58 118.05 2k4j h ASN 74 Ca -0.33 -0.21 -0.48 0.00 -0.55 0.00 0.00 56.30 54.73 2k4j h ASN 74 Cb 1.17 0.08 0.03 0.00 0.05 0.00 0.00 38.32 39.65 2k4j h ASN 74 CO 0.48 0.11 0.41 -2.16 -1.65 0.00 0.00 177.43 174.63 2k4j s PRO 75 N -4.15 4.02 0.50 0.81 0.04 -1.26 -4.97 135.00 130.01 2k4j s PRO 75 Ca -0.13 1.51 0.29 0.00 0.04 0.00 0.00 61.00 62.71 2k4j s PRO 75 Cb 0.01 -2.42 1.23 0.00 0.04 0.00 0.00 34.50 33.37 2k4j s PRO 75 CO 0.49 -0.26 1.94 0.93 0.04 0.00 0.00 177.00 180.14 2k4j h GLU 76 N 2.21 0.00 0.00 4.56 4.39 -1.99 -2.68 114.58 121.07 2k4j h GLU 76 Ca -0.49 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.02 2k4j h GLU 76 Cb 1.22 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 2k4j h GLU 76 CO 0.61 0.11 -0.92 0.66 -1.16 0.00 0.00 179.01 178.32 2k4j h SER 77 N 0.00 0.00 -5.12 1.42 4.64 -1.93 -3.43 113.55 109.13 2k4j h SER 77 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 2k4j h SER 77 Cb 0.57 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 2k4j h SER 77 CO 0.01 0.92 -0.57 -1.20 -0.87 0.00 0.00 176.83 175.13 2k4j n SER 78 N -3.40 -4.48 0.25 4.97 7.64 -1.01 -4.50 113.62 113.09 2k4j n SER 78 Ca -0.00 -0.35 0.09 0.00 1.01 0.00 0.00 58.87 59.63 2k4j n SER 78 Cb 0.88 -3.67 0.66 0.00 -1.01 0.00 0.00 64.21 61.07 2k4j n SER 78 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2k4j h ASN 79 N -1.09 0.00 1.50 6.43 -0.00 -1.93 0.25 115.58 120.74 2k4j h ASN 79 Ca -0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 55.77 2k4j h ASN 79 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.62 2k4j h ASN 79 CO 0.54 0.11 -0.51 0.11 -0.00 0.00 0.00 177.43 177.68 2k4j h LYS 80 N 0.00 0.00 0.93 6.67 1.57 -1.99 -2.88 116.57 120.87 2k4j h LYS 80 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2k4j h LYS 80 Cb 0.22 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.54 2k4j h LYS 80 CO 0.01 0.30 -0.45 1.03 -0.57 0.00 0.00 179.45 179.78 2k4j h SER 81 N 0.00 -1.06 -0.68 0.86 0.87 -1.35 -1.61 113.55 110.59 2k4j h SER 81 Ca -0.02 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2k4j h SER 81 Cb 1.27 0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 63.47 2k4j h SER 81 CO 0.04 -0.75 0.45 0.16 -0.53 0.00 0.00 176.83 176.20 2k4j h ILE 82 N -1.26 1.02 -0.29 2.23 3.07 -1.49 0.18 117.51 120.97 2k4j h ILE 82 Ca -0.13 -0.24 0.01 0.00 1.55 0.00 0.00 64.86 66.06 2k4j h ILE 82 Cb 0.96 0.26 -0.02 0.00 -0.27 0.00 0.00 36.82 37.75 2k4j h ILE 82 CO 0.21 0.13 0.16 -0.78 -1.05 0.00 0.00 178.15 176.82 2k4j h ASP 83 N 0.70 0.26 -0.48 2.16 3.58 -1.52 0.12 116.42 121.23 2k4j h ASP 83 Ca 0.29 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 2k4j h ASP 83 Cb 0.25 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2k4j h ASP 83 CO -0.09 0.19 0.26 0.58 -2.88 0.00 0.00 179.24 177.30 2k4j h VAL 84 N 0.34 1.17 -0.01 2.25 2.07 -0.14 -1.54 116.25 120.38 2k4j h VAL 84 Ca 0.11 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2k4j h VAL 84 Cb 0.01 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2k4j h VAL 84 CO -0.06 0.18 -0.00 0.40 0.02 0.00 0.00 177.57 178.11 2k4j h ILE 85 N 0.64 1.28 0.18 4.57 1.08 -0.33 0.41 117.51 125.33 2k4j h ILE 85 Ca 0.17 -0.83 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 2k4j h ILE 85 Cb 0.06 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2k4j h ILE 85 CO -0.03 0.22 -0.09 0.40 -0.69 0.00 0.00 178.15 177.97 2k4j h ILE 86 N -0.32 0.83 -0.70 -0.67 2.04 -0.85 -0.03 117.51 117.81 2k4j h ILE 86 Ca 0.00 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 2k4j h ILE 86 Cb 0.36 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2k4j h ILE 86 CO 0.00 0.00 0.19 1.23 0.00 0.00 0.00 178.15 179.57 2k4j h GLY 87 N -0.24 1.19 1.24 5.37 0.00 -1.17 -0.94 103.07 108.51 2k4j h GLY 87 Ca -0.02 -0.72 -0.28 0.00 0.00 0.00 0.00 47.33 46.30 2k4j h GLY 87 CO 0.04 0.67 -1.53 -0.09 0.00 0.00 0.00 176.54 175.64 2k4j h ARG 88 N 1.05 0.07 -0.31 4.80 9.65 -0.90 -0.66 114.38 128.07 2k4j h ARG 88 Ca 0.22 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 2k4j h ARG 88 Cb 0.34 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 2k4j h ARG 88 CO -0.00 0.79 0.10 1.25 2.80 0.00 0.00 179.97 184.90 2k4j h LEU 89 N 0.02 0.46 -0.95 3.80 6.46 -1.01 -0.52 115.31 123.56 2k4j h LEU 89 Ca -0.22 -0.21 0.09 0.00 -0.12 0.00 0.00 57.88 57.42 2k4j h LEU 89 Cb 1.96 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 41.70 2k4j h LEU 89 CO 0.11 0.55 0.59 0.03 -0.62 0.00 0.00 178.44 179.10 2k4j h ARG 90 N 0.35 0.99 -0.49 1.25 3.08 -1.21 -1.07 114.38 117.27 2k4j h ARG 90 Ca 0.10 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.12 2k4j h ARG 90 Cb 0.25 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 2k4j h ARG 90 CO -0.00 0.65 0.28 1.03 -1.07 0.00 0.00 179.97 180.86 2k4j h SER 91 N 1.02 0.43 -0.40 7.04 0.87 -0.69 0.06 113.55 121.87 2k4j h SER 91 Ca 0.44 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 61.02 2k4j h SER 91 Cb 0.31 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2k4j h SER 91 CO -0.22 0.30 0.25 0.11 -0.53 0.00 0.00 176.83 176.74 2k4j h LYS 92 N 0.55 0.49 0.00 2.24 6.56 -0.23 -1.47 116.57 124.71 2k4j h LYS 92 Ca 0.20 -0.03 -0.07 0.00 -1.06 0.00 0.00 60.65 59.70 2k4j h LYS 92 Cb 0.06 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 2k4j h LYS 92 CO -0.11 0.32 -0.32 -0.84 -2.06 0.00 0.00 179.45 176.45 2k4j h ILE 93 N 0.51 0.71 -0.07 1.86 -0.00 -0.92 -0.94 117.51 118.65 2k4j h ILE 93 Ca 0.15 -1.42 -0.18 0.00 -0.00 0.00 0.00 64.86 63.40 2k4j h ILE 93 Cb -0.03 1.92 0.01 0.00 -0.00 0.00 0.00 36.82 38.72 2k4j h ILE 93 CO -0.05 0.31 -0.67 -0.08 -0.00 0.00 0.00 178.15 177.66 2k4j h GLU 94 N 0.00 0.58 0.18 0.16 4.81 -0.86 -3.37 114.58 116.07 2k4j h GLU 94 Ca -0.00 -0.53 -0.26 0.00 -0.13 0.00 0.00 59.36 58.44 2k4j h GLU 94 Cb 0.90 0.13 0.03 0.00 0.63 0.00 0.00 28.75 30.43 2k4j h GLU 94 CO 0.04 1.15 -1.12 -0.22 -0.73 0.00 0.00 179.01 178.13 2k4j h LYS 95 N 0.19 0.44 -7.37 1.92 3.64 -1.19 -3.47 116.57 110.73 2k4j h LYS 95 Ca -0.06 -0.71 -0.51 0.00 -1.27 0.00 0.00 60.65 58.10 2k4j h LYS 95 Cb 1.33 0.26 0.08 0.00 -0.41 0.00 0.00 32.23 33.49 2k4j h LYS 95 CO 0.14 1.33 0.40 -0.80 -2.27 0.00 0.00 179.45 178.25 2k4j s ASN 96 N -7.26 5.73 0.54 4.20 0.01 -0.37 -4.98 114.94 112.81 2k4j s ASN 96 Ca -0.11 1.43 0.33 0.00 -0.71 0.00 0.00 52.86 53.80 2k4j s ASN 96 Cb 0.03 -2.37 1.35 0.00 0.41 0.00 0.00 41.25 40.67 2k4j s ASN 96 CO 0.89 -1.20 1.98 1.55 -1.51 0.00 0.00 177.10 178.81 2k4j h PRO 97 N -0.55 0.00 -6.76 -0.60 0.13 -1.88 -3.45 132.00 118.89 2k4j h PRO 97 Ca -0.44 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.12 2k4j h PRO 97 Cb 1.21 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.45 2k4j h PRO 97 CO 0.60 0.03 0.49 1.17 -0.23 0.00 0.00 178.00 180.06 2k4j n LYS 98 N -3.14 2.04 -4.05 0.86 0.00 -1.26 -5.06 118.16 107.56 2k4j n LYS 98 Ca 0.00 0.72 -0.08 0.00 0.00 0.00 0.00 58.31 58.95 2k4j n LYS 98 Cb 0.31 -2.32 -0.10 0.00 0.00 0.00 0.00 35.03 32.91 2k4j n LYS 98 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2k4j s GLN 99 N -1.96 0.49 0.80 1.64 -0.21 -1.26 -4.69 119.66 114.48 2k4j s GLN 99 Ca 0.57 -0.97 -0.12 0.00 0.02 0.00 0.00 55.36 54.86 2k4j s GLN 99 Cb -0.56 0.16 0.07 0.00 1.00 0.00 0.00 33.01 33.68 2k4j s GLN 99 CO 0.61 -0.08 1.11 -1.25 -2.12 0.00 0.00 175.29 173.56 2k4j s PRO 100 N -2.90 2.05 0.00 2.91 0.04 -1.26 -4.96 135.00 130.88 2k4j s PRO 100 Ca -0.02 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2k4j s PRO 100 Cb 0.01 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2k4j s PRO 100 CO -0.06 -1.62 0.00 0.00 0.04 0.00 0.00 177.00 175.36 2k4j n GLN 101 N -3.41 0.00 0.03 4.56 10.64 -1.26 -4.99 117.38 122.95 2k4j n GLN 101 Ca 0.07 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.32 2k4j n GLN 101 Cb 0.57 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.85 2k4j n GLN 101 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2k4j n TYR 102 N -1.57 0.48 -3.55 2.61 4.02 -1.26 -4.85 117.16 113.04 2k4j n TYR 102 Ca 0.00 0.15 -0.37 0.00 -0.01 0.00 0.00 57.90 57.67 2k4j n TYR 102 Cb 0.00 -0.79 -0.08 0.00 -0.02 0.00 0.00 39.34 38.45 2k4j n TYR 102 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 2k4j s ILE 103 N -3.28 5.31 -0.12 -0.72 2.07 -1.26 -4.20 121.20 119.00 2k4j s ILE 103 Ca -0.05 0.46 -0.02 0.00 -1.41 0.00 0.00 60.65 59.63 2k4j s ILE 103 Cb 0.11 -3.61 -0.03 0.00 0.13 0.00 0.00 42.46 39.06 2k4j s ILE 103 CO 0.85 0.35 -0.03 -0.63 -1.91 0.00 0.00 174.94 173.57 2k4j s ILE 104 N 0.78 4.03 -0.33 2.00 1.01 0.34 -4.94 121.20 124.09 2k4j s ILE 104 Ca 0.14 -0.33 -0.27 0.00 0.00 0.00 0.00 60.65 60.19 2k4j s ILE 104 Cb -0.13 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.63 2k4j s ILE 104 CO 0.04 0.55 0.99 -0.94 0.00 0.00 0.00 174.94 175.58 2k4j s SER 105 N -0.25 6.83 -0.54 3.58 1.04 -1.26 -0.65 113.70 122.45 2k4j s SER 105 Ca 0.05 0.88 0.07 0.00 0.48 0.00 0.00 55.95 57.43 2k4j s SER 105 Cb -0.13 -2.50 0.32 0.00 0.10 0.00 0.00 66.02 63.81 2k4j s SER 105 CO 0.02 -0.82 0.85 0.52 0.98 0.00 0.00 173.24 174.79 2k4j n VAL 106 N 5.82 2.11 -1.70 5.02 0.31 -0.19 -4.98 118.33 124.73 2k4j n VAL 106 Ca 0.09 -5.24 -0.44 0.00 -0.01 0.00 0.00 64.34 58.74 2k4j n VAL 106 Cb 0.47 -1.33 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 2k4j n VAL 106 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2k4j n ARG 107 N 0.14 2.49 0.00 5.55 1.74 -1.25 -1.17 116.66 124.16 2k4j n ARG 107 Ca 0.29 0.90 0.00 0.00 -0.77 0.00 0.00 57.85 58.27 2k4j n ARG 107 Cb 0.45 -2.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 2k4j n ARG 107 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4j n GLY 108 N 3.53 2.44 0.54 -0.13 0.00 -1.26 -4.84 105.19 105.48 2k4j n GLY 108 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 2k4j n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k4j n ILE 109 N -0.46 0.38 -1.28 -0.61 5.41 -0.32 -5.10 119.36 117.39 2k4j n ILE 109 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.64 2k4j n ILE 109 Cb 0.00 -1.31 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 2k4j n ILE 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2k4j n GLY 110 N 2.77 0.29 3.45 7.39 0.00 -0.53 -4.42 105.19 114.15 2k4j n GLY 110 Ca -0.13 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 2k4j n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k4j s TYR 111 N -3.28 3.01 -0.15 1.61 1.51 -0.59 -1.02 117.35 118.44 2k4j s TYR 111 Ca 0.00 -0.45 -0.08 0.00 -1.01 0.00 0.00 57.07 55.54 2k4j s TYR 111 Cb 0.00 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 2k4j s TYR 111 CO 0.00 -0.18 0.13 0.21 -1.11 0.00 0.00 175.55 174.60 2k4j s LYS 112 N 0.72 3.70 0.14 -0.62 2.20 0.18 -0.29 119.74 125.77 2k4j s LYS 112 Ca -0.01 -0.18 -0.01 0.00 -0.36 0.00 0.00 55.97 55.40 2k4j s LYS 112 Cb -0.14 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 2k4j s LYS 112 CO 0.02 0.59 0.06 -1.17 -0.36 0.00 0.00 175.35 174.49 2k4j s LEU 113 N -0.48 1.71 0.07 5.43 2.96 -0.39 -0.51 118.68 127.47 2k4j s LEU 113 Ca 0.12 -1.23 -0.13 0.00 -0.22 0.00 0.00 54.13 52.67 2k4j s LEU 113 Cb -0.12 0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.88 2k4j s LEU 113 CO 0.02 -0.74 0.28 -0.70 -1.32 0.00 0.00 176.35 173.90 2k4j s GLU 114 N -4.06 0.86 0.00 1.98 2.12 -1.26 -1.88 118.70 116.47 2k4j s GLU 114 Ca 0.26 -0.67 0.17 0.00 0.36 0.00 0.00 54.97 55.09 2k4j s GLU 114 Cb 0.07 0.37 1.04 0.00 0.26 0.00 0.00 34.13 35.87 2k4j s GLU 114 CO 0.03 -0.29 1.44 2.48 -0.54 0.00 0.00 175.26 178.39