#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 4.30 0.40 1.61 0.01 -1.26 -4.97 113.70 113.79 2k4j s SER 12 Ca 0.00 1.95 0.13 0.00 1.31 0.00 0.00 55.95 59.34 2k4j s SER 12 Cb 0.00 -2.54 0.83 0.00 0.21 0.00 0.00 66.02 64.52 2k4j s SER 12 CO 0.00 -2.18 1.89 -0.33 0.41 0.00 0.00 173.24 173.04 2k4j h GLU 13 N -1.01 0.03 -3.72 12.44 3.07 -2.10 -3.43 114.58 119.85 2k4j h GLU 13 Ca -0.44 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.22 2k4j h GLU 13 Cb 1.24 -0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.91 2k4j h GLU 13 CO 0.50 0.31 -0.65 -1.21 -1.40 0.00 0.00 179.01 176.55 2k4j s GLU 14 N -4.41 0.20 0.00 2.33 2.02 -1.26 -5.07 118.70 112.50 2k4j s GLU 14 Ca -0.03 -0.21 0.27 0.00 0.02 0.00 0.00 54.97 55.01 2k4j s GLU 14 Cb 0.15 0.08 0.88 0.00 0.10 0.00 0.00 34.13 35.34 2k4j s GLU 14 CO 0.72 -0.04 1.66 1.33 0.02 0.00 0.00 175.26 178.95 2k4j n VAL 15 N 2.37 0.00 -3.50 2.63 0.24 -1.26 -4.95 118.33 113.86 2k4j n VAL 15 Ca -0.17 -0.04 -0.10 0.00 -2.04 0.00 0.00 64.34 61.98 2k4j n VAL 15 Cb 0.58 0.05 -0.02 0.00 -1.47 0.00 0.00 33.84 32.98 2k4j n VAL 15 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2k4j s SER 16 N -2.76 -0.46 -0.19 -1.34 1.04 -1.26 -5.08 113.70 103.65 2k4j s SER 16 Ca 0.19 -0.07 -0.29 0.00 0.48 0.00 0.00 55.95 56.25 2k4j s SER 16 Cb 0.19 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2k4j s SER 16 CO 0.57 -0.90 1.04 -0.70 0.98 0.00 0.00 173.24 174.24 2k4j s GLU 17 N -3.56 4.31 1.01 4.02 2.56 -1.26 -4.69 118.70 121.09 2k4j s GLU 17 Ca 0.04 1.39 -0.17 0.00 0.00 0.00 0.00 54.97 56.23 2k4j s GLU 17 Cb -0.01 -3.62 0.23 0.00 2.00 0.00 0.00 34.13 32.73 2k4j s GLU 17 CO -0.09 -0.54 1.33 -1.25 -0.56 0.00 0.00 175.26 174.14 2k4j s PRO 18 N 2.87 0.25 0.29 4.30 0.04 -1.26 -4.69 135.00 136.80 2k4j s PRO 18 Ca 0.46 -0.46 0.03 0.00 0.04 0.00 0.00 61.00 61.07 2k4j s PRO 18 Cb -0.16 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2k4j s PRO 18 CO 0.10 -2.67 0.17 0.20 0.04 0.00 0.00 177.00 174.84 2k4j s GLY 19 N -4.85 2.01 -0.06 0.56 0.00 -0.59 -4.97 107.32 99.42 2k4j s GLY 19 Ca 0.76 -1.79 -0.31 0.00 0.00 0.00 0.00 44.72 43.38 2k4j s GLY 19 CO 0.54 -1.55 0.98 0.51 0.00 0.00 0.00 173.10 173.58 2k4j s ASP 20 N -3.35 -0.30 -0.29 1.64 -4.77 -1.26 -0.16 116.67 108.18 2k4j s ASP 20 Ca 0.37 0.01 -0.14 0.00 -3.30 0.00 0.00 52.55 49.49 2k4j s ASP 20 Cb 0.05 0.31 0.13 0.00 -1.09 0.00 0.00 42.92 42.32 2k4j s ASP 20 CO 0.18 -0.50 0.80 0.00 0.70 0.00 0.00 175.17 176.35 2k4j s ALA 21 N -2.86 -2.21 0.00 2.11 0.00 -0.56 -4.97 121.76 113.28 2k4j s ALA 21 Ca 0.06 2.27 0.00 0.00 0.00 0.00 0.00 51.96 54.29 2k4j s ALA 21 Cb -0.01 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2k4j s ALA 21 CO -0.07 -0.70 0.00 0.09 0.00 0.00 0.00 175.76 175.07 2k4j n ASN 22 N 4.75 0.00 0.10 0.00 3.02 -1.26 -1.56 115.26 120.32 2k4j n ASN 22 Ca -0.14 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.53 2k4j n ASN 22 Cb 0.54 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.90 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 -2.78 2.41 2.04 -1.96 -3.48 117.51 113.74 2k4j h ILE 23 Ca 0.00 -0.65 -0.47 0.00 1.00 0.00 0.00 64.86 64.74 2k4j h ILE 23 Cb 0.00 1.38 -0.14 0.00 -0.74 0.00 0.00 36.82 37.32 2k4j h ILE 23 CO 0.00 0.00 -0.67 0.72 0.00 0.00 0.00 178.15 178.20 2k4j s PHE 24 N -3.19 1.87 0.02 1.37 -0.12 -0.60 -1.98 117.98 115.35 2k4j s PHE 24 Ca 0.06 -0.75 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 2k4j s PHE 24 Cb 0.11 -1.08 -0.01 0.00 -0.63 0.00 0.00 43.02 41.41 2k4j s PHE 24 CO 0.70 0.21 -0.07 1.03 -0.05 0.00 0.00 175.22 177.04 2k4j s ARG 25 N -3.76 0.48 -0.16 1.99 0.52 -0.36 -1.49 118.95 116.17 2k4j s ARG 25 Ca 0.29 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 55.03 2k4j s ARG 25 Cb 0.04 -0.35 0.02 0.00 0.52 0.00 0.00 34.95 35.18 2k4j s ARG 25 CO 0.11 0.08 -0.19 0.08 0.02 0.00 0.00 175.30 175.40 2k4j s VAL 26 N -0.79 1.91 -0.48 3.52 1.01 0.78 -0.55 120.40 125.80 2k4j s VAL 26 Ca -0.04 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 2k4j s VAL 26 Cb -0.06 -1.73 0.09 0.00 0.00 0.00 0.00 36.38 34.68 2k4j s VAL 26 CO 0.00 0.52 0.39 -0.62 0.00 0.00 0.00 175.10 175.38 2k4j s ASP 27 N 1.19 6.03 0.38 3.32 2.15 -0.30 -1.54 116.67 127.89 2k4j s ASP 27 Ca 0.01 -1.49 0.20 0.00 0.43 0.00 0.00 52.55 51.70 2k4j s ASP 27 Cb -0.14 -2.14 0.52 0.00 -0.30 0.00 0.00 42.92 40.86 2k4j s ASP 27 CO -0.09 -0.67 1.65 0.50 -0.17 0.00 0.00 175.17 176.39 2k4j h LYS 28 N 8.69 0.00 -0.32 4.34 3.64 -1.83 0.27 116.57 131.36 2k4j h LYS 28 Ca -0.27 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.08 2k4j h LYS 28 Cb 1.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2k4j h LYS 28 CO 0.89 0.31 0.08 0.22 -2.27 0.00 0.00 179.45 178.68 2k4j h ASP 29 N 0.00 0.48 -0.01 4.20 1.82 -1.91 -3.31 116.42 117.69 2k4j h ASP 29 Ca -0.00 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 2k4j h ASP 29 Cb 1.03 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.91 2k4j h ASP 29 CO 0.04 0.58 -0.07 -0.24 -1.61 0.00 0.00 179.24 177.94 2k4j n SER 30 N -4.66 1.22 0.00 2.28 2.88 -1.25 -4.99 113.62 109.10 2k4j n SER 30 Ca -0.02 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.41 2k4j n SER 30 Cb 0.18 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2k4j n SER 30 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2k4j n ARG 31 N -0.01 0.00 -3.69 -1.46 3.00 -0.26 -5.07 116.66 109.17 2k4j n ARG 31 Ca 0.03 0.09 -0.22 0.00 -0.00 0.00 0.00 57.85 57.75 2k4j n ARG 31 Cb 0.14 -2.56 -0.03 0.00 0.00 0.00 0.00 32.46 30.00 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 -2.67 2.44 -0.06 -0.14 2.02 -0.08 -4.64 118.70 115.56 2k4j s GLU 32 Ca 0.00 -1.66 -0.03 0.00 0.02 0.00 0.00 54.97 53.31 2k4j s GLU 32 Cb 0.00 -2.28 0.04 0.00 0.10 0.00 0.00 34.13 31.99 2k4j s GLU 32 CO 0.00 -0.25 0.14 0.54 0.02 0.00 0.00 175.26 175.71 2k4j s VAL 33 N -2.54 -0.05 -0.11 2.63 0.11 -0.20 -1.15 120.40 119.08 2k4j s VAL 33 Ca 0.45 0.19 -0.03 0.00 -2.93 0.00 0.00 61.98 59.66 2k4j s VAL 33 Cb -0.02 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 2k4j s VAL 33 CO 0.26 0.08 -0.01 -0.31 -3.33 0.00 0.00 175.10 171.79 2k4j s TYR 34 N 1.20 3.12 0.16 1.54 2.02 0.29 -1.15 117.35 124.52 2k4j s TYR 34 Ca -0.09 0.05 0.06 0.00 -0.37 0.00 0.00 57.07 56.72 2k4j s TYR 34 Cb -0.12 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 2k4j s TYR 34 CO -0.06 0.30 0.05 1.41 -1.57 0.00 0.00 175.55 175.68 2k4j s MET 35 N -0.42 2.60 0.62 -0.62 -2.45 0.03 -1.23 119.30 117.83 2k4j s MET 35 Ca 0.08 -0.99 0.32 0.00 -1.25 0.00 0.00 55.69 53.84 2k4j s MET 35 Cb -0.12 -2.48 1.78 0.00 1.25 0.00 0.00 34.83 35.26 2k4j s MET 35 CO 0.02 0.47 2.10 1.25 1.05 0.00 0.00 175.02 179.91 2k4j h HIS 36 N 2.67 0.00 0.00 4.11 2.76 -1.80 -1.17 115.15 121.71 2k4j h HIS 36 Ca -0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 2k4j h HIS 36 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2k4j h HIS 36 CO 0.61 0.00 -1.21 0.39 -1.30 0.00 0.00 177.93 176.42 2k4j n GLU 37 N -3.46 0.61 -3.58 5.26 -0.58 -1.26 -5.04 120.64 112.59 2k4j n GLU 37 Ca 0.00 -0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.57 2k4j n GLU 37 Cb 0.31 -1.43 -0.06 0.00 -0.57 0.00 0.00 31.44 29.69 2k4j n GLU 37 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2k4j s LYS 38 N -2.99 0.69 0.10 3.49 0.00 -0.44 -4.93 119.74 115.65 2k4j s LYS 38 Ca 0.03 0.34 -0.29 0.00 0.00 0.00 0.00 55.97 56.05 2k4j s LYS 38 Cb 0.14 0.33 -0.06 0.00 0.00 0.00 0.00 37.83 38.24 2k4j s LYS 38 CO 0.80 -0.18 0.92 0.21 0.00 0.00 0.00 175.35 177.10 2k4j s LYS 39 N -0.71 4.66 0.13 1.78 2.36 -1.26 -0.79 119.74 125.91 2k4j s LYS 39 Ca -0.02 1.37 0.01 0.00 -2.55 0.00 0.00 55.97 54.78 2k4j s LYS 39 Cb -0.02 -3.37 -0.04 0.00 -1.05 0.00 0.00 37.83 33.35 2k4j s LYS 39 CO 0.02 0.25 -0.03 -0.51 1.55 0.00 0.00 175.35 176.63 2k4j s LEU 40 N -0.10 2.29 -0.19 5.43 1.43 -0.30 -4.95 118.68 122.29 2k4j s LEU 40 Ca 0.45 -1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.19 2k4j s LEU 40 Cb -0.23 -0.02 0.08 0.00 0.03 0.00 0.00 46.19 46.05 2k4j s LEU 40 CO 0.28 -0.53 0.76 -0.62 0.23 0.00 0.00 176.35 176.47 2k4j s ASP 41 N -3.09 -0.67 0.00 2.29 2.15 -1.26 -1.03 116.67 115.06 2k4j s ASP 41 Ca 0.17 1.09 0.00 0.00 0.43 0.00 0.00 52.55 54.24 2k4j s ASP 41 Cb 0.06 1.04 0.00 0.00 -0.30 0.00 0.00 42.92 43.72 2k4j s ASP 41 CO -0.01 -0.36 0.00 -0.11 -0.17 0.00 0.00 175.17 174.52 2k4j n LEU 42 N 1.95 0.00 -3.97 -1.34 7.94 -1.26 -4.82 117.00 115.50 2k4j n LEU 42 Ca -0.15 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.65 2k4j n LEU 42 Cb 0.56 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.47 2k4j n LEU 42 CO 0.10 0.00 0.25 0.42 -1.11 0.00 0.00 177.39 177.06 2k4j s THR 43 N 0.31 0.00 0.23 1.96 -4.23 -1.26 -5.04 115.64 107.60 2k4j s THR 43 Ca 0.00 -1.33 -0.08 0.00 -1.18 0.00 0.00 61.69 59.10 2k4j s THR 43 Cb 0.00 -2.29 0.19 0.00 1.34 0.00 0.00 72.50 71.74 2k4j s THR 43 CO 0.00 0.00 1.86 -0.09 -0.54 0.00 0.00 174.62 175.85 2k4j h ARG 44 N 2.17 0.97 -0.51 3.99 9.65 -1.99 -0.05 114.38 128.61 2k4j h ARG 44 Ca -0.26 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.49 2k4j h ARG 44 Cb 1.25 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.59 2k4j h ARG 44 CO 0.34 0.64 0.02 0.00 2.80 0.00 0.00 179.97 183.77 2k4j h ALA 45 N 1.35 0.69 -0.57 2.80 0.00 -1.98 -1.39 119.26 120.16 2k4j h ALA 45 Ca 0.33 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2k4j h ALA 45 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2k4j h ALA 45 CO -0.12 0.49 -0.01 0.93 0.00 0.00 0.00 179.25 180.53 2k4j h GLU 46 N 0.76 0.98 -0.10 0.00 3.07 -1.80 -1.62 114.58 115.88 2k4j h GLU 46 Ca 0.15 -0.30 0.04 0.00 -0.50 0.00 0.00 59.36 58.74 2k4j h GLU 46 Cb 0.50 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.27 2k4j h GLU 46 CO 0.02 0.97 -0.19 -0.92 -1.40 0.00 0.00 179.01 177.50 2k4j h TYR 47 N 0.90 -0.49 -0.71 4.33 3.20 -0.94 -1.65 116.97 121.61 2k4j h TYR 47 Ca 0.16 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.17 2k4j h TYR 47 Cb 0.54 0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.96 2k4j h TYR 47 CO 0.03 -0.27 0.31 1.49 -1.64 0.00 0.00 178.16 178.09 2k4j h GLU 48 N -0.25 0.48 0.21 1.82 4.57 -0.36 -0.12 114.58 120.92 2k4j h GLU 48 Ca 0.09 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2k4j h GLU 48 Cb 0.38 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2k4j h GLU 48 CO -0.25 0.32 -0.10 0.82 -1.18 0.00 0.00 179.01 178.62 2k4j h ILE 49 N 0.49 0.83 -0.42 2.32 2.04 -1.17 -1.83 117.51 119.78 2k4j h ILE 49 Ca 0.37 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 66.00 2k4j h ILE 49 Cb 0.49 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2k4j h ILE 49 CO -0.34 0.04 0.07 0.25 0.00 0.00 0.00 178.15 178.17 2k4j h LEU 50 N -0.37 0.68 -0.16 1.44 6.46 -0.31 0.22 115.31 123.26 2k4j h LEU 50 Ca -0.03 -0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.47 2k4j h LEU 50 Cb 0.28 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2k4j h LEU 50 CO 0.05 0.77 0.10 0.77 -0.62 0.00 0.00 178.44 179.51 2k4j h SER 51 N 0.56 0.19 -0.51 1.25 4.64 -1.14 -1.75 113.55 116.79 2k4j h SER 51 Ca 0.13 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 2k4j h SER 51 Cb 0.38 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 2k4j h SER 51 CO 0.01 0.17 0.13 0.25 -0.87 0.00 0.00 176.83 176.52 2k4j h LEU 52 N 0.20 0.82 -0.30 5.97 7.12 -1.10 -0.90 115.31 127.10 2k4j h LEU 52 Ca 0.06 -0.15 0.03 0.00 0.13 0.00 0.00 57.88 57.94 2k4j h LEU 52 Cb 0.01 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 39.90 2k4j h LEU 52 CO -0.01 0.80 0.13 0.25 -0.13 0.00 0.00 178.44 179.48 2k4j h LEU 53 N 0.84 0.17 -0.80 2.25 5.85 -0.45 0.12 115.31 123.28 2k4j h LEU 53 Ca 0.18 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 2k4j h LEU 53 Cb 0.32 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2k4j h LEU 53 CO 0.00 0.14 0.13 0.40 -0.34 0.00 0.00 178.44 178.77 2k4j h ILE 54 N 0.28 1.25 -0.29 4.05 2.04 -0.95 -0.82 117.51 123.07 2k4j h ILE 54 Ca 0.13 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 2k4j h ILE 54 Cb 0.07 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2k4j h ILE 54 CO -0.11 0.36 0.14 0.28 0.00 0.00 0.00 178.15 178.82 2k4j h SER 55 N 0.98 0.38 0.54 1.72 0.02 -0.60 -3.31 113.55 113.27 2k4j h SER 55 Ca 0.20 -0.13 -0.25 0.00 -0.84 0.00 0.00 61.79 60.78 2k4j h SER 55 Cb 0.38 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2k4j h SER 55 CO 0.01 0.40 -1.08 0.07 -1.14 0.00 0.00 176.83 175.08 2k4j h LYS 56 N 0.33 0.30 0.00 3.45 2.10 -0.70 -3.50 116.57 118.55 2k4j h LYS 56 Ca 0.10 -0.41 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2k4j h LYS 56 Cb 0.12 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2k4j h LYS 56 CO -0.01 1.14 0.00 0.36 -2.00 0.00 0.00 179.45 178.94 2k4j n LYS 57 N -3.62 0.00 0.28 0.07 2.85 -0.32 -5.07 118.16 112.36 2k4j n LYS 57 Ca -0.07 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.02 2k4j n LYS 57 Cb 0.93 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 35.22 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 -1.11 0.00 2.58 0.00 -1.74 -3.43 103.07 99.38 2k4j h GLY 58 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2k4j h GLY 58 CO 0.00 -0.36 0.00 2.98 0.00 0.00 0.00 176.54 179.16 2k4j n TYR 59 N -5.54 -0.28 -3.58 5.60 9.36 -0.69 -4.21 117.16 117.82 2k4j n TYR 59 Ca -0.11 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.73 2k4j n TYR 59 Cb 0.43 0.13 -0.11 0.00 -0.63 0.00 0.00 39.34 39.16 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 5.30 -0.90 2.97 1.01 -1.26 -1.04 120.40 126.48 2k4j s VAL 60 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 2k4j s VAL 60 Cb 0.00 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.90 2k4j s VAL 60 CO 0.00 0.26 1.31 0.12 0.00 0.00 0.00 175.10 176.79 2k4j s PHE 61 N 1.68 2.57 0.20 5.22 5.36 0.29 -4.84 117.98 128.47 2k4j s PHE 61 Ca 0.08 -0.71 0.09 0.00 -0.96 0.00 0.00 56.93 55.43 2k4j s PHE 61 Cb -0.16 -4.58 -0.04 0.00 -0.34 0.00 0.00 43.02 37.90 2k4j s PHE 61 CO 0.10 -1.88 -0.07 -1.12 -1.46 0.00 0.00 175.22 170.79 2k4j s SER 62 N 4.35 4.32 0.31 6.13 0.01 -1.26 -1.59 113.70 125.98 2k4j s SER 62 Ca 0.39 -0.59 0.09 0.00 1.31 0.00 0.00 55.95 57.14 2k4j s SER 62 Cb -0.04 -0.75 0.87 0.00 0.21 0.00 0.00 66.02 66.30 2k4j s SER 62 CO -0.02 0.08 1.72 0.08 0.41 0.00 0.00 173.24 175.51 2k4j h ARG 63 N 2.67 0.52 -0.04 12.44 -0.00 -1.85 0.16 114.38 128.28 2k4j h ARG 63 Ca -0.46 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.98 59.46 2k4j h ARG 63 Cb 1.22 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 2k4j h ARG 63 CO 0.56 0.34 -0.08 1.49 -0.00 0.00 0.00 179.97 182.28 2k4j h GLU 64 N 0.53 0.13 -0.72 0.08 4.81 -1.84 -1.21 114.58 116.36 2k4j h GLU 64 Ca 0.63 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.83 2k4j h GLU 64 Cb 1.22 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 2k4j h GLU 64 CO -0.49 0.67 0.42 1.03 -0.73 0.00 0.00 179.01 179.91 2k4j h SER 65 N -0.39 0.65 -0.31 1.04 0.87 -1.73 -0.33 113.55 113.35 2k4j h SER 65 Ca 0.00 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2k4j h SER 65 Cb 0.66 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 2k4j h SER 65 CO 0.02 0.43 -0.08 0.40 -0.53 0.00 0.00 176.83 177.07 2k4j h ILE 66 N 0.79 0.68 0.00 2.23 1.08 -0.76 0.09 117.51 121.62 2k4j h ILE 66 Ca 0.31 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.77 2k4j h ILE 66 Cb 0.15 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 2k4j h ILE 66 CO -0.16 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 177.23 2k4j h ALA 67 N 1.31 1.68 0.19 1.87 0.00 -0.36 0.37 119.26 124.32 2k4j h ALA 67 Ca 0.15 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.70 2k4j h ALA 67 Cb 0.23 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.04 2k4j h ALA 67 CO -0.33 0.09 -1.39 0.82 0.00 0.00 0.00 179.25 178.44 2k4j h ILE 68 N 0.00 1.21 0.00 0.00 1.08 -0.42 -3.21 117.51 116.17 2k4j h ILE 68 Ca -0.00 -2.57 -0.29 0.00 -0.39 0.00 0.00 64.86 61.61 2k4j h ILE 68 Cb 0.14 2.97 -0.05 0.00 -3.07 0.00 0.00 36.82 36.80 2k4j h ILE 68 CO 0.01 0.79 -2.06 -0.62 -0.69 0.00 0.00 178.15 175.58 2k4j n GLU 69 N -3.81 0.66 -0.06 2.37 4.71 -0.04 -4.46 120.64 120.01 2k4j n GLU 69 Ca -0.19 0.08 -0.03 0.00 -0.01 0.00 0.00 57.16 57.01 2k4j n GLU 69 Cb 1.01 -1.63 -0.01 0.00 -1.01 0.00 0.00 31.44 29.80 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 0.00 0.00 0.00 1.62 0.87 -1.16 -3.37 113.55 111.51 2k4j h SER 70 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2k4j h SER 70 Cb 1.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.94 2k4j h SER 70 CO 0.04 0.62 0.00 1.21 -0.53 0.00 0.00 176.83 178.17 2k4j n GLU 71 N -4.58 -0.93 -0.02 2.24 2.13 -1.21 -4.86 120.64 113.41 2k4j n GLU 71 Ca -0.04 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2k4j n GLU 71 Cb 0.15 -4.32 0.00 0.00 0.27 0.00 0.00 31.44 27.54 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 -0.47 2.97 -3.84 4.31 7.64 -1.26 -4.80 113.62 118.17 2k4j n SER 72 Ca 0.00 -1.93 -0.13 0.00 1.01 0.00 0.00 58.87 57.82 2k4j n SER 72 Cb 0.23 -0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 62.78 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 0.05 -0.01 -0.01 0.44 -1.09 -1.26 -5.11 121.20 114.20 2k4j s ILE 73 Ca 0.00 0.04 -0.23 0.00 -2.23 0.00 0.00 60.65 58.23 2k4j s ILE 73 Cb 0.00 -0.05 -0.15 0.00 -1.58 0.00 0.00 42.46 40.67 2k4j s ILE 73 CO 0.00 0.02 1.06 0.78 -1.23 0.00 0.00 174.94 175.57 2k4j h ASN 74 N 6.36 -0.34 -3.78 3.58 4.21 -2.01 -3.44 115.58 120.16 2k4j h ASN 74 Ca -0.29 -0.20 -0.50 0.00 1.21 0.00 0.00 56.30 56.52 2k4j h ASN 74 Cb 1.19 0.09 0.01 0.00 -1.12 0.00 0.00 38.32 38.49 2k4j h ASN 74 CO 0.49 0.09 0.47 -2.16 -1.29 0.00 0.00 177.43 175.03 2k4j s PRO 75 N -4.17 4.65 0.10 0.81 0.04 -1.26 -4.96 135.00 130.20 2k4j s PRO 75 Ca -0.13 1.78 0.23 0.00 0.04 0.00 0.00 61.00 62.93 2k4j s PRO 75 Cb 0.01 -3.20 0.93 0.00 0.04 0.00 0.00 34.50 32.28 2k4j s PRO 75 CO 0.49 0.21 1.73 -0.85 0.04 0.00 0.00 177.00 178.62 2k4j n GLU 76 N 1.33 0.10 0.11 4.56 0.00 -1.26 -1.76 120.64 123.71 2k4j n GLU 76 Ca -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 57.16 57.34 2k4j n GLU 76 Cb 0.45 -1.64 0.01 0.00 0.00 0.00 0.00 31.44 30.26 2k4j n GLU 76 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2k4j h SER 77 N 0.00 0.00 -4.87 -1.84 4.64 -1.93 -3.43 113.55 106.12 2k4j h SER 77 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 2k4j h SER 77 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2k4j h SER 77 CO 0.00 0.71 -0.57 -1.20 -0.87 0.00 0.00 176.83 174.89 2k4j n SER 78 N -3.36 -4.96 0.26 4.97 7.64 -0.72 -4.41 113.62 113.04 2k4j n SER 78 Ca 0.01 -0.31 0.10 0.00 1.01 0.00 0.00 58.87 59.68 2k4j n SER 78 Cb 0.79 -4.05 0.69 0.00 -1.01 0.00 0.00 64.21 60.63 2k4j n SER 78 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k4j h ASN 79 N -1.13 0.00 0.93 6.43 -1.07 -1.91 0.28 115.58 119.10 2k4j h ASN 79 Ca -0.48 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 55.68 2k4j h ASN 79 Cb 1.33 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.55 2k4j h ASN 79 CO 0.54 0.06 -0.99 0.11 0.07 0.00 0.00 177.43 177.23 2k4j h LYS 80 N 0.00 0.03 0.65 4.14 6.56 -1.97 -3.12 116.57 122.85 2k4j h LYS 80 Ca -0.00 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 2k4j h LYS 80 Cb 0.13 0.02 0.01 0.00 -0.57 0.00 0.00 32.23 31.82 2k4j h LYS 80 CO 0.01 0.99 -0.31 1.03 -2.06 0.00 0.00 179.45 179.11 2k4j h SER 81 N 0.01 -0.74 -0.98 0.86 0.87 -1.40 -0.51 113.55 111.66 2k4j h SER 81 Ca -0.02 -0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2k4j h SER 81 Cb 1.73 0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 63.81 2k4j h SER 81 CO 0.13 -0.46 0.63 -0.29 -0.53 0.00 0.00 176.83 176.31 2k4j h ILE 82 N -0.98 1.04 0.29 2.23 6.09 -1.23 0.23 117.51 125.18 2k4j h ILE 82 Ca -0.09 -0.38 -0.01 0.00 -1.37 0.00 0.00 64.86 63.01 2k4j h ILE 82 Cb 0.70 -0.15 0.00 0.00 0.47 0.00 0.00 36.82 37.84 2k4j h ILE 82 CO 0.15 0.20 -0.14 -0.78 -3.07 0.00 0.00 178.15 174.51 2k4j h ASP 83 N 1.10 -0.32 -0.58 2.19 3.58 -1.54 0.28 116.42 121.13 2k4j h ASP 83 Ca 0.44 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.88 2k4j h ASP 83 Cb 0.26 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 2k4j h ASP 83 CO -0.19 -0.23 0.27 0.58 -2.88 0.00 0.00 179.24 176.79 2k4j h VAL 84 N -0.39 1.21 0.51 2.25 2.07 -0.18 -1.08 116.25 120.64 2k4j h VAL 84 Ca -0.04 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2k4j h VAL 84 Cb 0.30 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2k4j h VAL 84 CO 0.06 0.24 -0.25 0.40 0.02 0.00 0.00 177.57 178.05 2k4j h ILE 85 N 0.79 0.00 -0.79 4.57 5.03 -0.51 -1.07 117.51 125.53 2k4j h ILE 85 Ca 0.20 -0.25 -0.02 0.00 -0.12 0.00 0.00 64.86 64.66 2k4j h ILE 85 Cb 0.13 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 33.88 2k4j h ILE 85 CO -0.02 0.00 0.39 0.40 -0.68 0.00 0.00 178.15 178.24 2k4j h ILE 86 N -0.94 1.24 0.47 -0.67 1.08 -1.03 0.34 117.51 118.00 2k4j h ILE 86 Ca -0.07 -0.65 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 2k4j h ILE 86 Cb 0.53 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 2k4j h ILE 86 CO 0.12 0.28 -0.39 1.23 -0.69 0.00 0.00 178.15 178.70 2k4j h GLY 87 N 1.15 -1.13 1.93 5.37 0.00 -1.22 -1.50 103.07 107.67 2k4j h GLY 87 Ca 0.27 0.50 0.00 0.00 0.00 0.00 0.00 47.33 48.11 2k4j h GLY 87 CO -0.04 -0.36 -0.07 3.21 0.00 0.00 0.00 176.54 179.29 2k4j h ARG 88 N -0.84 0.00 -0.06 4.80 -0.00 -1.05 -0.40 114.38 116.83 2k4j h ARG 88 Ca -0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.41 2k4j h ARG 88 Cb 0.71 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.67 2k4j h ARG 88 CO -0.00 0.00 0.01 1.25 0.00 0.00 0.00 179.97 181.23 2k4j h LEU 89 N 0.00 0.09 -0.60 3.04 6.46 -0.97 -0.36 115.31 122.96 2k4j h LEU 89 Ca 0.00 -0.24 0.04 0.00 -0.12 0.00 0.00 57.88 57.56 2k4j h LEU 89 Cb 0.97 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.83 2k4j h LEU 89 CO 0.00 0.30 0.34 -0.09 -0.62 0.00 0.00 178.44 178.38 2k4j h ARG 90 N -0.13 0.64 -0.26 1.25 2.43 -1.09 -1.41 114.38 115.81 2k4j h ARG 90 Ca 0.02 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2k4j h ARG 90 Cb 0.25 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 2k4j h ARG 90 CO 0.00 0.43 -0.05 0.77 -1.51 0.00 0.00 179.97 179.60 2k4j h SER 91 N 0.66 -0.21 -0.68 -3.80 0.02 -0.98 0.44 113.55 109.00 2k4j h SER 91 Ca 0.25 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 2k4j h SER 91 Cb 0.09 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2k4j h SER 91 CO -0.14 -0.07 0.18 0.11 -1.14 0.00 0.00 176.83 175.77 2k4j h LYS 92 N 0.01 1.09 0.00 3.45 1.79 -0.59 -1.23 116.57 121.10 2k4j h LYS 92 Ca 0.12 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2k4j h LYS 92 Cb 0.18 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2k4j h LYS 92 CO -0.25 0.95 -0.24 0.44 -1.08 0.00 0.00 179.45 179.27 2k4j n ILE 93 N -4.24 0.18 0.09 1.86 -5.35 -0.58 -1.54 119.36 109.78 2k4j n ILE 93 Ca 0.05 -0.10 -0.22 0.00 -0.27 0.00 0.00 62.75 62.21 2k4j n ILE 93 Cb 0.25 -0.26 -0.15 0.00 -1.74 0.00 0.00 39.64 37.74 2k4j n ILE 93 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2k4j h GLU 94 N 0.00 0.39 -0.22 6.28 4.81 -0.79 -3.39 114.58 121.66 2k4j h GLU 94 Ca 0.00 -0.67 -0.15 0.00 -0.13 0.00 0.00 59.36 58.41 2k4j h GLU 94 Cb 0.59 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2k4j h GLU 94 CO 0.00 1.30 -0.45 -0.22 -0.73 0.00 0.00 179.01 178.91 2k4j h LYS 95 N 0.11 0.70 -7.18 1.92 3.64 -1.21 -3.44 116.57 111.10 2k4j h LYS 95 Ca -0.31 -0.45 -0.49 0.00 -1.27 0.00 0.00 60.65 58.14 2k4j h LYS 95 Cb 2.10 0.06 0.05 0.00 -0.41 0.00 0.00 32.23 34.02 2k4j h LYS 95 CO 0.19 1.07 0.38 -0.80 -2.27 0.00 0.00 179.45 178.02 2k4j s ASN 96 N -6.72 6.04 0.28 4.20 0.01 -0.59 -4.99 114.94 113.17 2k4j s ASN 96 Ca -0.12 1.77 0.08 0.00 -0.71 0.00 0.00 52.86 53.88 2k4j s ASN 96 Cb 0.08 -2.53 0.40 0.00 0.41 0.00 0.00 41.25 39.61 2k4j s ASN 96 CO 0.85 -0.99 1.65 1.55 -1.51 0.00 0.00 177.10 178.65 2k4j h PRO 97 N 0.67 0.15 -6.37 -0.60 0.13 -1.85 -3.44 132.00 120.69 2k4j h PRO 97 Ca -0.47 -0.09 -0.54 0.00 -0.87 0.00 0.00 66.00 64.03 2k4j h PRO 97 Cb 1.21 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.36 2k4j h PRO 97 CO 0.58 0.63 1.01 0.21 -0.23 0.00 0.00 178.00 180.20 2k4j s LYS 98 N -3.91 4.21 0.06 0.86 2.47 -1.26 -5.00 119.74 117.16 2k4j s LYS 98 Ca -0.03 2.23 -0.08 0.00 -1.56 0.00 0.00 55.97 56.53 2k4j s LYS 98 Cb 0.13 -3.73 -0.00 0.00 -1.46 0.00 0.00 37.83 32.76 2k4j s LYS 98 CO 0.77 -0.75 0.16 1.14 0.16 0.00 0.00 175.35 176.83 2k4j s GLN 99 N 3.09 0.72 0.64 4.03 -2.07 -1.26 -4.65 119.66 120.17 2k4j s GLN 99 Ca 0.72 -0.82 -0.12 0.00 -1.82 0.00 0.00 55.36 53.32 2k4j s GLN 99 Cb -0.36 0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 31.83 2k4j s GLN 99 CO 0.31 -0.21 1.05 -1.25 -1.32 0.00 0.00 175.29 173.87 2k4j s PRO 100 N -3.17 3.23 0.00 9.60 0.04 -1.26 -4.99 135.00 138.45 2k4j s PRO 100 Ca -0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2k4j s PRO 100 Cb 0.02 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2k4j s PRO 100 CO -0.07 -0.87 0.00 0.00 0.04 0.00 0.00 177.00 176.10 2k4j n GLN 101 N -2.67 0.21 0.00 4.56 10.64 -1.26 -4.87 117.38 123.99 2k4j n GLN 101 Ca 0.07 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.38 2k4j n GLN 101 Cb 0.53 -0.53 0.46 0.00 -0.86 0.00 0.00 30.24 29.84 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 -0.63 0.00 -3.40 2.61 4.01 -1.26 -4.87 117.16 113.63 2k4j n TYR 102 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 2k4j n TYR 102 Cb 0.03 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 2k4j n TYR 102 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2k4j s ILE 103 N -2.16 5.20 -0.07 -0.72 -1.09 -1.26 -4.44 121.20 116.67 2k4j s ILE 103 Ca 0.33 0.69 0.02 0.00 -2.23 0.00 0.00 60.65 59.46 2k4j s ILE 103 Cb 0.20 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 2k4j s ILE 103 CO 0.39 0.25 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.61 2k4j s ILE 104 N 1.30 3.31 -0.06 2.92 1.01 -0.36 -4.98 121.20 124.34 2k4j s ILE 104 Ca 0.19 -0.62 -0.28 0.00 0.00 0.00 0.00 60.65 59.94 2k4j s ILE 104 Cb -0.15 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2k4j s ILE 104 CO 0.08 0.58 0.91 -0.44 0.00 0.00 0.00 174.94 176.06 2k4j s SER 105 N -0.55 7.20 -0.57 3.58 0.01 -1.26 -0.36 113.70 121.74 2k4j s SER 105 Ca 0.08 1.46 0.01 0.00 1.31 0.00 0.00 55.95 58.80 2k4j s SER 105 Cb -0.12 -2.52 0.15 0.00 0.21 0.00 0.00 66.02 63.74 2k4j s SER 105 CO 0.02 -0.29 0.35 -0.69 0.41 0.00 0.00 173.24 173.04 2k4j s VAL 106 N 1.35 3.16 0.00 3.43 1.01 0.34 -4.81 120.40 124.88 2k4j s VAL 106 Ca 0.46 -3.14 0.00 0.00 0.00 0.00 0.00 61.98 59.30 2k4j s VAL 106 Cb -0.19 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2k4j s VAL 106 CO 0.21 -0.84 0.00 -1.14 0.00 0.00 0.00 175.10 173.33 2k4j n ARG 107 N 3.29 0.00 -0.92 2.72 0.63 -1.26 -1.59 116.66 119.53 2k4j n ARG 107 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2k4j n ARG 107 Cb 0.35 -3.65 0.00 0.00 0.45 0.00 0.00 32.46 29.61 2k4j n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k4j n GLY 108 N -2.00 0.89 0.06 5.14 0.00 -1.26 -4.89 105.19 103.13 2k4j n GLY 108 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.17 0.79 -4.37 -0.61 5.41 -0.86 -4.93 119.36 112.63 2k4j n ILE 109 Ca 0.00 -0.39 -0.29 0.00 1.00 0.00 0.00 62.75 63.07 2k4j n ILE 109 Cb 0.00 -0.85 -0.12 0.00 -0.71 0.00 0.00 39.64 37.96 2k4j n ILE 109 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2k4j s GLY 110 N -4.86 1.62 -0.13 7.39 0.00 -0.62 -2.96 107.32 107.76 2k4j s GLY 110 Ca -0.12 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.16 2k4j s GLY 110 CO 0.39 -1.43 -0.16 -0.19 0.00 0.00 0.00 173.10 171.71 2k4j s TYR 111 N -1.13 2.18 -0.24 1.90 1.51 -0.62 -0.51 117.35 120.45 2k4j s TYR 111 Ca 0.16 -1.12 -0.29 0.00 -1.01 0.00 0.00 57.07 54.81 2k4j s TYR 111 Cb -0.10 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 2k4j s TYR 111 CO 0.07 -0.58 1.17 0.21 -1.11 0.00 0.00 175.55 175.32 2k4j s LYS 112 N 1.13 4.15 0.19 -0.62 2.20 0.51 -0.55 119.74 126.76 2k4j s LYS 112 Ca -0.02 1.40 0.11 0.00 -0.36 0.00 0.00 55.97 57.09 2k4j s LYS 112 Cb -0.14 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 2k4j s LYS 112 CO -0.05 -0.80 -0.23 -1.17 -0.36 0.00 0.00 175.35 172.75 2k4j s LEU 113 N 3.60 2.44 0.03 5.43 0.20 -0.20 -1.23 118.68 128.96 2k4j s LEU 113 Ca 0.50 -0.87 -0.08 0.00 0.69 0.00 0.00 54.13 54.37 2k4j s LEU 113 Cb -0.17 -1.11 -0.00 0.00 -0.43 0.00 0.00 46.19 44.48 2k4j s LEU 113 CO 0.14 0.09 0.15 -0.70 -0.29 0.00 0.00 176.35 175.74 2k4j s GLU 114 N -2.73 0.61 0.00 1.98 2.12 -1.26 -1.71 118.70 117.71 2k4j s GLU 114 Ca 0.20 -0.60 0.15 0.00 0.36 0.00 0.00 54.97 55.08 2k4j s GLU 114 Cb -0.07 0.25 0.90 0.00 0.26 0.00 0.00 34.13 35.46 2k4j s GLU 114 CO 0.10 -0.16 1.31 2.48 -0.54 0.00 0.00 175.26 178.45