#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4j s SER 12 N 0.00 -0.38 0.33 1.61 1.04 -1.26 -5.18 113.70 109.86 2k4j s SER 12 Ca 0.00 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 2k4j s SER 12 Cb 0.00 0.58 -0.07 0.00 0.10 0.00 0.00 66.02 66.63 2k4j s SER 12 CO 0.00 -1.01 0.69 -1.61 0.98 0.00 0.00 173.24 172.30 2k4j s GLU 13 N -3.61 3.84 0.78 4.02 8.01 -1.26 -5.08 118.70 125.39 2k4j s GLU 13 Ca 0.06 0.44 -0.13 0.00 0.01 0.00 0.00 54.97 55.36 2k4j s GLU 13 Cb -0.03 -2.48 0.07 0.00 -4.31 0.00 0.00 34.13 27.38 2k4j s GLU 13 CO -0.04 0.12 1.15 -1.21 0.01 0.00 0.00 175.26 175.29 2k4j s GLU 14 N -3.36 1.97 0.00 1.61 8.01 -1.26 -4.96 118.70 120.71 2k4j s GLU 14 Ca 0.51 1.52 0.28 0.00 0.01 0.00 0.00 54.97 57.28 2k4j s GLU 14 Cb -0.10 -1.84 1.67 0.00 -4.31 0.00 0.00 34.13 29.54 2k4j s GLU 14 CO 0.25 -1.91 2.07 1.33 0.01 0.00 0.00 175.26 177.01 2k4j n VAL 15 N -3.24 0.00 -2.72 2.63 0.24 -1.26 -4.21 118.33 109.77 2k4j n VAL 15 Ca 0.12 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.38 2k4j n VAL 15 Cb 0.52 -0.44 0.10 0.00 -1.47 0.00 0.00 33.84 32.54 2k4j n VAL 15 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2k4j n SER 16 N -0.94 -0.50 -4.77 -1.34 3.41 -1.26 -5.13 113.62 103.10 2k4j n SER 16 Ca 0.21 -2.28 -0.40 0.00 -0.26 0.00 0.00 58.87 56.15 2k4j n SER 16 Cb 0.10 0.34 0.02 0.00 -0.26 0.00 0.00 64.21 64.41 2k4j n SER 16 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2k4j s GLU 17 N -1.17 3.62 0.89 4.33 2.02 -1.26 -4.12 118.70 123.01 2k4j s GLU 17 Ca 0.18 2.44 -0.12 0.00 0.02 0.00 0.00 54.97 57.50 2k4j s GLU 17 Cb 0.41 -2.63 0.12 0.00 0.10 0.00 0.00 34.13 32.14 2k4j s GLU 17 CO -0.08 -0.88 1.09 -1.25 0.02 0.00 0.00 175.26 174.17 2k4j s PRO 18 N -2.50 1.35 0.33 0.39 0.04 -1.26 -4.61 135.00 128.74 2k4j s PRO 18 Ca 0.62 0.78 0.04 0.00 0.04 0.00 0.00 61.00 62.48 2k4j s PRO 18 Cb -0.44 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 2k4j s PRO 18 CO 0.57 -2.17 0.16 0.20 0.04 0.00 0.00 177.00 175.80 2k4j s GLY 19 N -3.49 2.21 0.22 0.56 0.00 -0.56 -5.01 107.32 101.24 2k4j s GLY 19 Ca 0.63 -1.69 -0.22 0.00 0.00 0.00 0.00 44.72 43.44 2k4j s GLY 19 CO 0.57 -1.63 0.66 0.51 0.00 0.00 0.00 173.10 173.20 2k4j s ASP 20 N -3.43 -0.42 -0.23 1.64 1.47 -1.26 -0.25 116.67 114.19 2k4j s ASP 20 Ca 0.34 -0.29 -0.07 0.00 1.18 0.00 0.00 52.55 53.71 2k4j s ASP 20 Cb 0.04 0.66 0.11 0.00 -0.34 0.00 0.00 42.92 43.39 2k4j s ASP 20 CO 0.18 -1.15 0.48 0.00 0.68 0.00 0.00 175.17 175.37 2k4j s ALA 21 N -3.83 -1.42 0.00 2.11 0.00 -0.22 -4.98 121.76 113.42 2k4j s ALA 21 Ca 0.06 1.70 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2k4j s ALA 21 Cb -0.03 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2k4j s ALA 21 CO -0.04 -0.85 0.00 0.09 0.00 0.00 0.00 175.76 174.96 2k4j n ASN 22 N 5.41 0.00 0.00 0.00 3.02 -1.26 -1.67 115.26 120.76 2k4j n ASN 22 Ca -0.09 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.58 2k4j n ASN 22 Cb 0.49 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.80 2k4j n ASN 22 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2k4j n ILE 23 N 0.00 0.02 -4.08 2.41 5.41 -1.26 -4.99 119.36 116.87 2k4j n ILE 23 Ca 0.00 -0.02 -0.08 0.00 1.00 0.00 0.00 62.75 63.65 2k4j n ILE 23 Cb 0.00 0.44 -0.10 0.00 -0.71 0.00 0.00 39.64 39.27 2k4j n ILE 23 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 2k4j s PHE 24 N -3.02 0.51 0.04 1.39 -0.71 -0.67 -1.47 117.98 114.06 2k4j s PHE 24 Ca 0.10 -0.99 0.03 0.00 -1.04 0.00 0.00 56.93 55.03 2k4j s PHE 24 Cb 0.17 -0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 41.58 2k4j s PHE 24 CO 0.75 -0.34 -0.10 1.03 -1.34 0.00 0.00 175.22 175.22 2k4j s ARG 25 N -3.60 0.65 -0.14 1.99 0.52 0.19 -1.06 118.95 117.52 2k4j s ARG 25 Ca 0.04 -0.70 -0.04 0.00 -0.52 0.00 0.00 55.73 54.52 2k4j s ARG 25 Cb 0.06 -0.55 -0.03 0.00 0.52 0.00 0.00 34.95 34.94 2k4j s ARG 25 CO -0.09 0.12 -0.01 0.54 0.02 0.00 0.00 175.30 175.89 2k4j s VAL 26 N -1.03 4.18 -0.27 3.52 0.11 0.66 -0.72 120.40 126.84 2k4j s VAL 26 Ca -0.04 -0.27 -0.07 0.00 -2.93 0.00 0.00 61.98 58.67 2k4j s VAL 26 Cb -0.08 -2.81 -0.01 0.00 -1.53 0.00 0.00 36.38 31.94 2k4j s VAL 26 CO 0.01 0.52 0.08 -0.62 -3.33 0.00 0.00 175.10 171.77 2k4j s ASP 27 N -0.06 5.17 0.22 3.54 -1.08 -0.38 -1.50 116.67 122.58 2k4j s ASP 27 Ca 0.03 -0.44 0.16 0.00 -0.52 0.00 0.00 52.55 51.78 2k4j s ASP 27 Cb -0.13 -1.92 0.01 0.00 -1.46 0.00 0.00 42.92 39.42 2k4j s ASP 27 CO 0.02 -0.12 1.26 0.11 0.52 0.00 0.00 175.17 176.97 2k4j h LYS 28 N 8.25 0.00 0.05 4.34 1.57 -1.81 -1.00 116.57 127.96 2k4j h LYS 28 Ca -0.35 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2k4j h LYS 28 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2k4j h LYS 28 CO 0.59 0.42 -0.02 0.22 -0.57 0.00 0.00 179.45 180.09 2k4j h ASP 29 N 0.00 -0.05 1.04 0.86 3.58 -1.92 -3.31 116.42 116.61 2k4j h ASP 29 Ca -0.05 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 56.80 2k4j h ASP 29 Cb 1.42 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.49 2k4j h ASP 29 CO 0.06 0.62 -0.65 0.28 -2.88 0.00 0.00 179.24 176.68 2k4j h SER 30 N -0.79 0.00 -2.71 2.28 0.02 -1.96 -3.49 113.55 106.91 2k4j h SER 30 Ca -0.01 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.78 2k4j h SER 30 Cb 0.65 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.22 2k4j h SER 30 CO 0.01 0.06 -0.12 -1.14 -1.14 0.00 0.00 176.83 174.50 2k4j n ARG 31 N -2.38 -0.91 -4.37 3.45 0.63 -0.78 -5.07 116.66 107.23 2k4j n ARG 31 Ca 0.02 0.13 -0.18 0.00 -0.92 0.00 0.00 57.85 56.90 2k4j n ARG 31 Cb 0.48 -2.87 -0.10 0.00 0.45 0.00 0.00 32.46 30.41 2k4j n ARG 31 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2k4j s GLU 32 N -4.03 1.48 -0.06 -0.14 2.02 -0.45 -4.51 118.70 113.01 2k4j s GLU 32 Ca 0.01 -1.80 0.01 0.00 0.02 0.00 0.00 54.97 53.21 2k4j s GLU 32 Cb -0.00 -0.56 0.02 0.00 0.10 0.00 0.00 34.13 33.69 2k4j s GLU 32 CO 0.11 -0.21 -0.05 0.54 0.02 0.00 0.00 175.26 175.68 2k4j s VAL 33 N -3.51 0.61 -0.25 2.63 0.11 0.44 -1.24 120.40 119.19 2k4j s VAL 33 Ca 0.35 -0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 59.22 2k4j s VAL 33 Cb 0.08 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2k4j s VAL 33 CO 0.13 0.26 0.03 -0.31 -3.33 0.00 0.00 175.10 171.88 2k4j s TYR 34 N 1.19 3.05 0.39 1.54 2.02 0.10 -1.09 117.35 124.56 2k4j s TYR 34 Ca -0.07 -0.80 -0.07 0.00 -0.37 0.00 0.00 57.07 55.76 2k4j s TYR 34 Cb -0.14 -2.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.18 2k4j s TYR 34 CO -0.01 -0.50 0.71 1.41 -1.57 0.00 0.00 175.55 175.59 2k4j s MET 35 N 1.52 3.67 0.58 -0.62 1.75 0.17 -0.63 119.30 125.74 2k4j s MET 35 Ca 0.05 0.25 0.29 0.00 -1.25 0.00 0.00 55.69 55.03 2k4j s MET 35 Cb -0.15 -2.46 1.46 0.00 2.84 0.00 0.00 34.83 36.51 2k4j s MET 35 CO 0.00 -0.01 1.87 1.25 -0.65 0.00 0.00 175.02 177.49 2k4j h HIS 36 N 1.09 0.00 0.00 4.11 2.76 -1.66 -0.91 115.15 120.54 2k4j h HIS 36 Ca -0.47 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.41 2k4j h HIS 36 Cb 1.19 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.11 2k4j h HIS 36 CO 0.59 0.00 -1.63 0.93 -1.30 0.00 0.00 177.93 176.52 2k4j h GLU 37 N 0.00 0.01 -1.40 5.26 5.08 -1.94 -3.51 114.58 118.08 2k4j h GLU 37 Ca 0.26 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.73 2k4j h GLU 37 Cb 1.32 0.01 -0.25 0.00 0.50 0.00 0.00 28.75 30.33 2k4j h GLU 37 CO -0.00 0.58 0.68 -1.59 -1.00 0.00 0.00 179.01 177.67 2k4j s LYS 38 N -2.61 0.42 -0.01 2.33 -2.85 -0.35 -5.00 119.74 111.67 2k4j s LYS 38 Ca -0.04 0.11 -0.24 0.00 -1.00 0.00 0.00 55.97 54.81 2k4j s LYS 38 Cb 0.08 0.20 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 2k4j s LYS 38 CO 0.82 -0.13 0.71 0.21 0.10 0.00 0.00 175.35 177.07 2k4j s LYS 39 N -1.03 4.44 0.02 1.78 2.20 -1.26 -0.66 119.74 125.24 2k4j s LYS 39 Ca 0.02 0.94 0.03 0.00 -0.36 0.00 0.00 55.97 56.59 2k4j s LYS 39 Cb -0.01 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2k4j s LYS 39 CO -0.02 0.21 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.59 2k4j s LEU 40 N 0.26 2.15 -0.43 5.43 1.43 -0.25 -4.95 118.68 122.33 2k4j s LEU 40 Ca 0.37 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 2k4j s LEU 40 Cb -0.19 -0.30 0.31 0.00 0.03 0.00 0.00 46.19 46.04 2k4j s LEU 40 CO 0.20 -0.05 1.15 -0.90 0.23 0.00 0.00 176.35 176.98 2k4j n ASP 41 N 2.10 -2.12 0.00 2.29 5.75 -1.26 -0.42 116.55 122.89 2k4j n ASP 41 Ca -0.18 -3.10 0.00 0.00 -0.01 0.00 0.00 54.79 51.50 2k4j n ASP 41 Cb 0.56 1.66 0.00 0.00 -1.03 0.00 0.00 41.12 42.31 2k4j n ASP 41 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2k4j n LEU 42 N 0.68 0.00 -3.94 -2.12 4.32 -1.26 -4.99 117.00 109.68 2k4j n LEU 42 Ca 0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.93 2k4j n LEU 42 Cb 0.70 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.44 2k4j n LEU 42 CO -0.00 0.00 0.01 -0.89 -1.22 0.00 0.00 177.39 175.29 2k4j s THR 43 N 0.36 0.06 0.31 -5.08 2.01 -1.26 -4.95 115.64 107.08 2k4j s THR 43 Ca 0.00 -1.33 0.07 0.00 0.31 0.00 0.00 61.69 60.74 2k4j s THR 43 Cb 0.00 -1.82 0.30 0.00 0.01 0.00 0.00 72.50 70.99 2k4j s THR 43 CO 0.00 -0.28 1.74 -0.09 -0.69 0.00 0.00 174.62 175.30 2k4j h ARG 44 N 2.51 0.59 -0.43 4.92 2.43 -1.99 -0.04 114.38 122.36 2k4j h ARG 44 Ca -0.31 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.73 2k4j h ARG 44 Cb 1.23 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2k4j h ARG 44 CO 0.47 0.39 -0.08 0.00 -1.51 0.00 0.00 179.97 179.24 2k4j h ALA 45 N 1.69 0.59 -0.32 2.80 0.00 -1.98 0.02 119.26 122.06 2k4j h ALA 45 Ca 0.60 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 2k4j h ALA 45 Cb 1.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2k4j h ALA 45 CO -0.45 0.46 -0.39 0.93 0.00 0.00 0.00 179.25 179.80 2k4j h GLU 46 N 0.65 0.84 -0.42 0.00 3.07 -1.45 -1.57 114.58 115.69 2k4j h GLU 46 Ca 0.11 -0.47 0.08 0.00 -0.50 0.00 0.00 59.36 58.59 2k4j h GLU 46 Cb 0.61 0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 28.46 2k4j h GLU 46 CO 0.04 1.10 -0.33 -0.92 -1.40 0.00 0.00 179.01 177.50 2k4j h TYR 47 N 0.62 -0.91 -0.69 4.33 3.20 -1.21 -1.61 116.97 120.70 2k4j h TYR 47 Ca 0.04 0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.07 2k4j h TYR 47 Cb 0.98 0.46 -0.07 0.00 1.54 0.00 0.00 36.73 39.64 2k4j h TYR 47 CO 0.07 -0.38 0.34 1.49 -1.64 0.00 0.00 178.16 178.03 2k4j h GLU 48 N -0.24 0.56 -0.00 1.82 4.57 -0.09 0.11 114.58 121.30 2k4j h GLU 48 Ca 0.18 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2k4j h GLU 48 Cb 0.54 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2k4j h GLU 48 CO -0.56 0.37 0.00 0.82 -1.18 0.00 0.00 179.01 178.46 2k4j h ILE 49 N 0.57 1.16 -0.21 2.32 2.04 -1.09 -1.61 117.51 120.70 2k4j h ILE 49 Ca 0.34 -0.47 -0.16 0.00 1.00 0.00 0.00 64.86 65.57 2k4j h ILE 49 Cb 0.37 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2k4j h ILE 49 CO -0.27 0.12 -0.53 0.25 0.00 0.00 0.00 178.15 177.72 2k4j h LEU 50 N -0.20 0.67 -0.16 1.44 6.46 -0.79 0.14 115.31 122.87 2k4j h LEU 50 Ca 0.00 -0.35 0.05 0.00 -0.12 0.00 0.00 57.88 57.46 2k4j h LEU 50 Cb 0.20 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 39.88 2k4j h LEU 50 CO -0.00 1.07 -0.28 -1.28 -0.62 0.00 0.00 178.44 177.34 2k4j h SER 51 N 0.47 -0.86 -0.85 1.25 0.87 -0.85 -1.37 113.55 112.21 2k4j h SER 51 Ca 0.01 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2k4j h SER 51 Cb 1.08 0.38 -0.04 0.00 -0.44 0.00 0.00 62.40 63.38 2k4j h SER 51 CO 0.10 -0.32 0.48 0.25 -0.53 0.00 0.00 176.83 176.82 2k4j h LEU 52 N -0.33 1.05 -0.37 2.23 7.12 -0.93 -1.30 115.31 122.78 2k4j h LEU 52 Ca 0.11 -0.08 0.02 0.00 0.13 0.00 0.00 57.88 58.06 2k4j h LEU 52 Cb 0.50 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.33 2k4j h LEU 52 CO -0.35 0.83 0.20 0.25 -0.13 0.00 0.00 178.44 179.24 2k4j h LEU 53 N 1.19 0.30 -0.64 2.25 5.85 -0.25 0.78 115.31 124.79 2k4j h LEU 53 Ca 0.30 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.89 2k4j h LEU 53 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2k4j h LEU 53 CO -0.05 0.22 -0.56 0.40 -0.34 0.00 0.00 178.44 178.10 2k4j h ILE 54 N 0.40 1.36 -0.55 4.05 1.08 -1.14 0.59 117.51 123.30 2k4j h ILE 54 Ca 0.15 -1.86 -0.01 0.00 -0.39 0.00 0.00 64.86 62.75 2k4j h ILE 54 Cb 0.04 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.65 2k4j h ILE 54 CO -0.09 0.56 0.31 -1.28 -0.69 0.00 0.00 178.15 176.95 2k4j h SER 55 N 0.26 0.68 0.00 1.72 0.87 -0.54 -3.34 113.55 113.20 2k4j h SER 55 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2k4j h SER 55 Cb 1.07 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2k4j h SER 55 CO 0.09 0.57 0.00 2.29 -0.53 0.00 0.00 176.83 179.25 2k4j n LYS 56 N -4.62 0.00 0.00 2.24 2.85 0.21 -5.09 118.16 113.74 2k4j n LYS 56 Ca 0.03 0.47 0.00 0.00 -1.05 0.00 0.00 58.31 57.76 2k4j n LYS 56 Cb 0.08 -1.09 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 2k4j n LYS 56 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2k4j n LYS 57 N -1.90 0.00 0.04 -1.58 2.85 0.20 -5.09 118.16 112.67 2k4j n LYS 57 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 2k4j n LYS 57 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 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 -0.27 0.00 2.58 0.00 -1.74 -3.43 103.07 100.21 2k4j h GLY 58 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2k4j h GLY 58 CO 0.00 -0.19 0.00 2.98 0.00 0.00 0.00 176.54 179.33 2k4j n TYR 59 N -5.34 -0.47 -3.80 5.60 9.36 -0.62 -4.12 117.16 117.77 2k4j n TYR 59 Ca -0.04 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.81 2k4j n TYR 59 Cb 0.26 0.14 -0.13 0.00 -0.63 0.00 0.00 39.34 38.98 2k4j n TYR 59 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2k4j s VAL 60 N 0.00 3.86 -0.51 2.97 1.01 -1.26 -1.15 120.40 125.32 2k4j s VAL 60 Ca 0.00 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.16 2k4j s VAL 60 Cb 0.00 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.51 2k4j s VAL 60 CO 0.00 0.22 1.05 0.12 0.00 0.00 0.00 175.10 176.48 2k4j s PHE 61 N 1.51 2.79 0.09 5.22 5.36 -0.14 -4.85 117.98 127.96 2k4j s PHE 61 Ca 0.04 0.39 0.08 0.00 -0.96 0.00 0.00 56.93 56.48 2k4j s PHE 61 Cb -0.16 -4.24 -0.03 0.00 -0.34 0.00 0.00 43.02 38.24 2k4j s PHE 61 CO 0.01 -1.32 -0.21 -1.12 -1.46 0.00 0.00 175.22 171.12 2k4j s SER 62 N 2.60 2.59 0.22 6.13 0.01 -1.26 -1.47 113.70 122.52 2k4j s SER 62 Ca 0.40 -0.66 -0.19 0.00 1.31 0.00 0.00 55.95 56.81 2k4j s SER 62 Cb -0.09 -0.16 0.21 0.00 0.21 0.00 0.00 66.02 66.19 2k4j s SER 62 CO 0.26 0.09 1.55 -2.11 0.41 0.00 0.00 173.24 173.43 2k4j n ARG 63 N 1.22 -0.25 0.33 12.44 1.85 -1.26 -0.28 116.66 130.71 2k4j n ARG 63 Ca -0.19 1.53 -0.17 0.00 -1.00 0.00 0.00 57.85 58.02 2k4j n ARG 63 Cb 0.53 -2.27 -0.09 0.00 -1.05 0.00 0.00 32.46 29.59 2k4j n ARG 63 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 2k4j h GLU 64 N 0.00 -0.85 -0.86 2.89 4.11 -1.83 -0.69 114.58 117.35 2k4j h GLU 64 Ca 0.33 0.06 0.08 0.00 0.07 0.00 0.00 59.36 59.90 2k4j h GLU 64 Cb 0.58 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 2k4j h GLU 64 CO -0.98 -0.57 0.52 0.77 0.07 0.00 0.00 179.01 178.82 2k4j h SER 65 N -0.89 0.79 -0.31 3.06 0.02 -1.77 -0.14 113.55 114.32 2k4j h SER 65 Ca -0.07 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2k4j h SER 65 Cb 0.72 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 2k4j h SER 65 CO 0.08 0.48 0.01 0.40 -1.14 0.00 0.00 176.83 176.66 2k4j h ILE 66 N 0.91 0.79 -0.05 3.27 1.08 -0.59 -1.14 117.51 121.79 2k4j h ILE 66 Ca 0.40 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.80 2k4j h ILE 66 Cb 0.28 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 2k4j h ILE 66 CO -0.21 0.02 -0.10 0.00 -0.69 0.00 0.00 178.15 177.17 2k4j h ALA 67 N 1.26 1.75 0.01 1.87 0.00 -0.17 0.70 119.26 124.69 2k4j h ALA 67 Ca 0.15 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 2k4j h ALA 67 Cb 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k4j h ALA 67 CO -0.24 0.19 -1.00 0.82 0.00 0.00 0.00 179.25 179.02 2k4j h ILE 68 N 0.07 1.36 0.04 0.00 2.04 -0.42 -3.12 117.51 117.49 2k4j h ILE 68 Ca 0.01 -2.41 -0.36 0.00 1.00 0.00 0.00 64.86 63.11 2k4j h ILE 68 Cb 0.22 2.44 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 2k4j h ILE 68 CO 0.01 0.73 -2.14 -0.62 0.00 0.00 0.00 178.15 176.13 2k4j n GLU 69 N -3.77 0.69 -0.05 2.37 4.71 -0.49 -4.64 120.64 119.46 2k4j n GLU 69 Ca -0.08 0.19 -0.01 0.00 -0.01 0.00 0.00 57.16 57.25 2k4j n GLU 69 Cb 0.86 -1.64 -0.00 0.00 -1.01 0.00 0.00 31.44 29.65 2k4j n GLU 69 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2k4j h SER 70 N 0.03 0.00 0.00 1.62 0.87 -1.06 -3.40 113.55 111.60 2k4j h SER 70 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2k4j h SER 70 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 2k4j h SER 70 CO 0.03 0.52 0.00 1.21 -0.53 0.00 0.00 176.83 178.05 2k4j n GLU 71 N -4.62 -0.40 0.00 2.24 2.13 -1.18 -4.82 120.64 113.99 2k4j n GLU 71 Ca -0.01 0.10 0.12 0.00 0.66 0.00 0.00 57.16 58.03 2k4j n GLU 71 Cb 0.04 -3.77 0.71 0.00 0.27 0.00 0.00 31.44 28.69 2k4j n GLU 71 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2k4j n SER 72 N -0.20 0.00 -4.85 4.31 3.41 -1.26 -4.86 113.62 110.17 2k4j n SER 72 Ca 0.00 -0.85 -0.37 0.00 -0.26 0.00 0.00 58.87 57.39 2k4j n SER 72 Cb 0.10 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 2k4j n SER 72 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2k4j s ILE 73 N -2.00 5.47 0.00 -1.33 -1.09 -1.26 -5.07 121.20 115.92 2k4j s ILE 73 Ca 0.36 0.20 -0.24 0.00 -2.23 0.00 0.00 60.65 58.73 2k4j s ILE 73 Cb 0.16 -3.40 -0.15 0.00 -1.58 0.00 0.00 42.46 37.50 2k4j s ILE 73 CO 0.28 0.58 1.09 0.78 -1.23 0.00 0.00 174.94 176.44 2k4j h ASN 74 N 5.31 -0.54 -2.83 3.58 2.35 -2.02 -3.42 115.58 118.02 2k4j h ASN 74 Ca -0.52 -0.08 -0.56 0.00 -0.55 0.00 0.00 56.30 54.59 2k4j h ASN 74 Cb 1.21 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.69 2k4j h ASN 74 CO 0.61 -0.15 0.97 -2.16 -1.65 0.00 0.00 177.43 175.05 2k4j s PRO 75 N -4.44 4.18 0.17 0.81 0.04 -1.26 -4.92 135.00 129.59 2k4j s PRO 75 Ca -0.13 1.79 0.21 0.00 0.04 0.00 0.00 61.00 62.91 2k4j s PRO 75 Cb 0.02 -3.84 0.87 0.00 0.04 0.00 0.00 34.50 31.59 2k4j s PRO 75 CO 0.46 -0.79 1.65 -0.85 0.04 0.00 0.00 177.00 177.51 2k4j n GLU 76 N 6.83 0.14 0.19 4.56 0.28 -1.26 -2.05 120.64 129.33 2k4j n GLU 76 Ca 0.15 0.35 0.13 0.00 -0.16 0.00 0.00 57.16 57.63 2k4j n GLU 76 Cb 0.44 -1.75 0.36 0.00 1.43 0.00 0.00 31.44 31.92 2k4j n GLU 76 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2k4j h SER 77 N 0.00 0.00 -0.62 -1.84 4.64 -1.92 -3.43 113.55 110.39 2k4j h SER 77 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 2k4j h SER 77 Cb 0.36 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.34 2k4j h SER 77 CO 0.00 0.00 -0.24 -1.20 -0.87 0.00 0.00 176.83 174.52 2k4j n SER 78 N -2.78 -5.23 0.07 4.97 7.64 -0.87 -4.49 113.62 112.93 2k4j n SER 78 Ca 0.04 0.32 0.16 0.00 1.01 0.00 0.00 58.87 60.39 2k4j n SER 78 Cb 0.43 -3.87 0.65 0.00 -1.01 0.00 0.00 64.21 60.42 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 0.00 0.04 0.56 6.43 -0.73 -1.92 -0.63 115.58 119.33 2k4j h ASN 79 Ca -0.27 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.66 2k4j h ASN 79 Cb 1.07 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 39.61 2k4j h ASN 79 CO 0.39 0.03 -1.62 0.29 -0.37 0.00 0.00 177.43 176.15 2k4j n LYS 80 N -4.44 0.63 -0.02 6.67 4.01 -1.26 -3.37 118.16 120.38 2k4j n LYS 80 Ca 0.06 0.27 -0.12 0.00 -0.51 0.00 0.00 58.31 58.01 2k4j n LYS 80 Cb 0.43 -1.80 -0.08 0.00 -0.51 0.00 0.00 35.03 33.07 2k4j n LYS 80 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2k4j h SER 81 N 0.00 0.11 -0.86 4.39 4.64 -1.71 -0.96 113.55 119.16 2k4j h SER 81 Ca -0.25 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2k4j h SER 81 Cb 1.87 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.89 2k4j h SER 81 CO 0.07 0.43 0.55 -0.29 -0.87 0.00 0.00 176.83 176.72 2k4j h ILE 82 N -0.21 1.23 -0.12 0.95 2.10 -1.32 0.17 117.51 120.31 2k4j h ILE 82 Ca 0.02 -0.45 -0.00 0.00 1.08 0.00 0.00 64.86 65.51 2k4j h ILE 82 Cb 0.37 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.07 2k4j h ILE 82 CO 0.00 0.23 0.06 -0.78 -1.08 0.00 0.00 178.15 176.59 2k4j h ASP 83 N 1.18 0.15 -0.48 2.19 3.58 -1.55 0.11 116.42 121.59 2k4j h ASP 83 Ca 0.31 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.69 2k4j h ASP 83 Cb -0.10 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2k4j h ASP 83 CO -0.06 0.19 0.32 0.58 -2.88 0.00 0.00 179.24 177.38 2k4j h VAL 84 N 0.09 1.12 0.12 2.25 2.07 -0.55 -1.33 116.25 120.01 2k4j h VAL 84 Ca 0.04 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2k4j h VAL 84 Cb 0.08 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2k4j h VAL 84 CO -0.01 0.12 -0.06 0.40 0.02 0.00 0.00 177.57 178.04 2k4j h ILE 85 N 0.65 1.06 -0.50 4.57 5.03 -0.42 0.31 117.51 128.21 2k4j h ILE 85 Ca 0.18 -0.82 0.05 0.00 -0.12 0.00 0.00 64.86 64.14 2k4j h ILE 85 Cb -0.07 1.57 -0.05 0.00 -3.03 0.00 0.00 36.82 35.25 2k4j h ILE 85 CO -0.04 0.19 0.24 0.40 -0.68 0.00 0.00 178.15 178.26 2k4j h ILE 86 N -0.55 0.93 0.21 -0.67 1.08 -0.85 0.28 117.51 117.94 2k4j h ILE 86 Ca -0.02 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2k4j h ILE 86 Cb 0.44 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 2k4j h ILE 86 CO 0.03 0.08 -0.10 1.23 -0.69 0.00 0.00 178.15 178.70 2k4j h GLY 87 N 0.46 -0.30 1.68 5.37 0.00 -1.08 -1.17 103.07 108.04 2k4j h GLY 87 Ca 0.22 0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.51 2k4j h GLY 87 CO -0.17 -0.11 -0.61 3.21 0.00 0.00 0.00 176.54 178.86 2k4j h ARG 88 N -0.31 0.33 0.33 4.80 -0.00 -0.83 -0.20 114.38 118.50 2k4j h ARG 88 Ca -0.03 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.98 59.21 2k4j h ARG 88 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.24 2k4j h ARG 88 CO 0.05 0.83 -0.18 1.25 0.00 0.00 0.00 179.97 181.92 2k4j h LEU 89 N 0.24 -0.43 -0.28 3.04 6.46 -0.88 -0.40 115.31 123.05 2k4j h LEU 89 Ca -0.01 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.83 2k4j h LEU 89 Cb 1.13 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 41.12 2k4j h LEU 89 CO 0.10 -0.29 -0.10 -0.09 -0.62 0.00 0.00 178.44 177.44 2k4j h ARG 90 N -0.47 -0.04 -0.33 1.25 2.43 -1.10 -1.20 114.38 114.92 2k4j h ARG 90 Ca -0.04 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2k4j h ARG 90 Cb 0.38 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2k4j h ARG 90 CO 0.06 -0.03 0.17 0.77 -1.51 0.00 0.00 179.97 179.43 2k4j h SER 91 N -0.04 0.25 -0.36 -3.80 0.02 -0.87 0.69 113.55 109.43 2k4j h SER 91 Ca 0.14 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2k4j h SER 91 Cb 0.26 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2k4j h SER 91 CO -0.32 0.19 0.17 0.11 -1.14 0.00 0.00 176.83 175.84 2k4j h LYS 92 N 0.35 0.52 0.00 3.45 1.79 -0.74 -1.42 116.57 120.52 2k4j h LYS 92 Ca 0.14 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2k4j h LYS 92 Cb 0.04 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2k4j h LYS 92 CO -0.09 0.47 0.00 0.44 -1.08 0.00 0.00 179.45 179.19 2k4j n ILE 93 N -4.72 0.10 0.00 1.86 -6.64 -0.48 -1.46 119.36 108.02 2k4j n ILE 93 Ca -0.01 0.03 -0.22 0.00 -1.77 0.00 0.00 62.75 60.78 2k4j n ILE 93 Cb 0.11 -0.55 -0.14 0.00 -1.44 0.00 0.00 39.64 37.62 2k4j n ILE 93 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 2k4j h GLU 94 N 0.00 0.24 -0.11 6.28 4.81 -0.77 -3.40 114.58 121.63 2k4j h GLU 94 Ca 0.00 -0.41 -0.10 0.00 -0.13 0.00 0.00 59.36 58.72 2k4j h GLU 94 Cb 0.45 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2k4j h GLU 94 CO 0.00 1.20 -0.32 -0.22 -0.73 0.00 0.00 179.01 178.94 2k4j h LYS 95 N -0.21 0.41 -7.17 1.92 3.64 -1.17 -3.44 116.57 110.55 2k4j h LYS 95 Ca -0.36 -0.29 -0.47 0.00 -1.27 0.00 0.00 60.65 58.26 2k4j h LYS 95 Cb 1.85 0.05 0.02 0.00 -0.41 0.00 0.00 32.23 33.73 2k4j h LYS 95 CO 0.05 0.91 0.37 -0.80 -2.27 0.00 0.00 179.45 177.71 2k4j s ASN 96 N -6.40 6.56 0.45 4.20 -0.87 -0.54 -5.00 114.94 113.34 2k4j s ASN 96 Ca -0.14 1.63 0.24 0.00 -1.57 0.00 0.00 52.86 53.02 2k4j s ASN 96 Cb 0.05 -2.52 0.95 0.00 -0.02 0.00 0.00 41.25 39.71 2k4j s ASN 96 CO 0.78 -0.63 1.84 1.55 -2.57 0.00 0.00 177.10 178.08 2k4j h PRO 97 N 1.03 0.00 -6.42 -0.60 0.13 -1.85 -3.44 132.00 120.85 2k4j h PRO 97 Ca -0.47 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 2k4j h PRO 97 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2k4j h PRO 97 CO 0.61 0.22 0.91 0.21 -0.23 0.00 0.00 178.00 179.72 2k4j s LYS 98 N -3.68 4.24 0.06 0.86 2.47 -1.26 -5.02 119.74 117.41 2k4j s LYS 98 Ca 0.00 2.16 0.02 0.00 -1.56 0.00 0.00 55.97 56.59 2k4j s LYS 98 Cb 0.10 -3.57 -0.03 0.00 -1.46 0.00 0.00 37.83 32.87 2k4j s LYS 98 CO 0.63 -0.65 -0.07 1.14 0.16 0.00 0.00 175.35 176.56 2k4j s GLN 99 N 2.46 0.64 0.64 4.03 -2.07 -1.26 -4.51 119.66 119.59 2k4j s GLN 99 Ca 0.69 -0.99 -0.12 0.00 -1.82 0.00 0.00 55.36 53.12 2k4j s GLN 99 Cb -0.36 -0.23 -0.02 0.00 -1.09 0.00 0.00 33.01 31.31 2k4j s GLN 99 CO 0.29 0.02 1.04 -1.25 -1.32 0.00 0.00 175.29 174.07 2k4j s PRO 100 N -2.51 3.31 0.00 9.60 0.04 -1.26 -5.00 135.00 139.18 2k4j s PRO 100 Ca -0.01 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2k4j s PRO 100 Cb -0.04 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2k4j s PRO 100 CO -0.02 -0.80 0.00 0.00 0.04 0.00 0.00 177.00 176.22 2k4j n GLN 101 N -2.77 0.00 0.00 4.56 10.64 -1.26 -4.89 117.38 123.66 2k4j n GLN 101 Ca 0.07 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.36 2k4j n GLN 101 Cb 0.54 -0.50 0.23 0.00 -0.86 0.00 0.00 30.24 29.65 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 -0.52 0.00 -3.25 2.61 4.02 -1.26 -4.84 117.16 113.92 2k4j n TYR 102 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 2k4j n TYR 102 Cb 0.00 -0.06 -0.06 0.00 -0.02 0.00 0.00 39.34 39.20 2k4j n TYR 102 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2k4j s ILE 103 N -2.42 5.09 -0.05 -0.72 1.01 -1.26 -4.03 121.20 118.83 2k4j s ILE 103 Ca 0.24 1.11 0.04 0.00 0.00 0.00 0.00 60.65 62.04 2k4j s ILE 103 Cb 0.19 -3.88 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 2k4j s ILE 103 CO 0.51 0.34 -0.18 -0.63 0.00 0.00 0.00 174.94 174.98 2k4j s ILE 104 N 0.40 1.52 0.15 2.92 -1.09 -0.01 -4.99 121.20 120.10 2k4j s ILE 104 Ca 0.29 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 57.65 2k4j s ILE 104 Cb -0.16 -1.31 -0.07 0.00 -1.58 0.00 0.00 42.46 39.34 2k4j s ILE 104 CO 0.13 0.44 1.02 -0.44 -1.23 0.00 0.00 174.94 174.86 2k4j s SER 105 N 0.07 7.41 -0.58 3.58 0.01 -1.26 -0.17 113.70 122.75 2k4j s SER 105 Ca -0.05 1.94 0.05 0.00 1.31 0.00 0.00 55.95 59.20 2k4j s SER 105 Cb -0.12 -2.60 0.19 0.00 0.21 0.00 0.00 66.02 63.70 2k4j s SER 105 CO 0.03 -0.11 0.49 0.52 0.41 0.00 0.00 173.24 174.58 2k4j n VAL 106 N 2.48 0.69 0.00 3.43 0.31 0.29 -4.89 118.33 120.65 2k4j n VAL 106 Ca 0.02 -4.42 0.00 0.00 -0.01 0.00 0.00 64.34 59.93 2k4j n VAL 106 Cb 0.48 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 2k4j n VAL 106 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2k4j n ARG 107 N 1.98 0.00 -0.05 5.55 3.00 -1.26 -1.54 116.66 124.34 2k4j n ARG 107 Ca 0.25 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.22 2k4j n ARG 107 Cb 0.41 0.00 0.27 0.00 0.00 0.00 0.00 32.46 33.14 2k4j n ARG 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4j n GLY 108 N 0.00 0.80 0.17 5.14 0.00 -1.26 -4.38 105.19 105.67 2k4j n GLY 108 Ca 0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 2k4j n GLY 108 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2k4j h ILE 109 N 3.72 1.31 0.00 -0.61 1.08 -1.70 -3.47 117.51 117.85 2k4j h ILE 109 Ca 0.00 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 2k4j h ILE 109 Cb 0.80 2.60 0.00 0.00 -3.07 0.00 0.00 36.82 37.14 2k4j h ILE 109 CO 0.00 0.74 0.00 0.61 -0.69 0.00 0.00 178.15 178.81 2k4j n GLY 110 N 1.26 -0.04 2.90 5.37 0.00 -0.66 -4.34 105.19 109.68 2k4j n GLY 110 Ca -0.12 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2k4j n GLY 110 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k4j s TYR 111 N -4.00 -0.25 0.29 1.61 1.13 -0.54 -0.54 117.35 115.05 2k4j s TYR 111 Ca 0.00 0.70 -0.27 0.00 -1.41 0.00 0.00 57.07 56.09 2k4j s TYR 111 Cb 0.00 -0.16 -0.09 0.00 -1.10 0.00 0.00 41.96 40.60 2k4j s TYR 111 CO 0.00 -0.28 0.93 0.21 -2.51 0.00 0.00 175.55 173.90 2k4j s LYS 112 N 2.12 4.65 0.06 -3.49 2.20 0.75 -0.97 119.74 125.07 2k4j s LYS 112 Ca 0.00 1.35 -0.04 0.00 -0.36 0.00 0.00 55.97 56.93 2k4j s LYS 112 Cb -0.12 -2.96 -0.02 0.00 -1.51 0.00 0.00 37.83 33.22 2k4j s LYS 112 CO -0.07 0.36 0.06 -1.17 -0.36 0.00 0.00 175.35 174.17 2k4j s LEU 113 N -1.77 2.05 0.03 5.43 2.96 -0.30 -0.83 118.68 126.26 2k4j s LEU 113 Ca 0.47 -0.83 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2k4j s LEU 113 Cb -0.21 0.52 -0.02 0.00 0.50 0.00 0.00 46.19 46.98 2k4j s LEU 113 CO 0.26 -0.63 -0.05 -0.70 -1.32 0.00 0.00 176.35 173.92 2k4j s GLU 114 N -3.73 0.42 0.00 1.98 2.12 -1.26 -1.59 118.70 116.65 2k4j s GLU 114 Ca 0.05 -0.74 0.20 0.00 0.36 0.00 0.00 54.97 54.84 2k4j s GLU 114 Cb 0.06 -0.01 1.19 0.00 0.26 0.00 0.00 34.13 35.62 2k4j s GLU 114 CO -0.10 -0.02 1.58 2.48 -0.54 0.00 0.00 175.26 178.65