#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 -2.68 -4.83 1.61 2.88 -1.26 -5.04 113.62 104.30 2k4j n SER 12 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 2k4j n SER 12 Cb 0.00 -0.53 0.01 0.00 -0.75 0.00 0.00 64.21 62.95 2k4j n SER 12 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2k4j s GLU 13 N -0.06 3.38 0.12 -1.46 0.41 -1.26 -4.98 118.70 114.86 2k4j s GLU 13 Ca 0.00 1.00 -0.21 0.00 -0.41 0.00 0.00 54.97 55.35 2k4j s GLU 13 Cb 0.00 -2.05 0.06 0.00 -1.78 0.00 0.00 34.13 30.36 2k4j s GLU 13 CO 0.00 -0.75 0.53 -2.00 -0.49 0.00 0.00 175.26 172.56 2k4j s GLU 14 N -4.56 1.17 0.23 1.61 2.56 -1.26 -5.06 118.70 113.38 2k4j s GLU 14 Ca 0.59 -0.46 0.20 0.00 0.00 0.00 0.00 54.97 55.30 2k4j s GLU 14 Cb -0.13 0.53 0.92 0.00 2.00 0.00 0.00 34.13 37.45 2k4j s GLU 14 CO 0.44 -0.48 1.61 1.33 -0.56 0.00 0.00 175.26 177.61 2k4j n VAL 15 N -0.14 1.00 -4.60 3.70 0.24 -1.26 -4.50 118.33 112.77 2k4j n VAL 15 Ca -0.17 0.40 -0.23 0.00 -2.04 0.00 0.00 64.34 62.30 2k4j n VAL 15 Cb 0.63 -1.33 -0.16 0.00 -1.47 0.00 0.00 33.84 31.51 2k4j n VAL 15 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2k4j s SER 16 N -3.94 1.63 -0.25 -1.34 0.01 -1.26 -5.12 113.70 103.43 2k4j s SER 16 Ca 0.02 -0.26 -0.29 0.00 1.31 0.00 0.00 55.95 56.73 2k4j s SER 16 Cb 0.08 -0.39 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 2k4j s SER 16 CO 0.29 0.12 1.43 -1.61 0.41 0.00 0.00 173.24 173.88 2k4j s GLU 17 N 0.03 3.90 0.91 12.44 0.41 -1.26 -4.63 118.70 130.50 2k4j s GLU 17 Ca -0.02 1.46 -0.12 0.00 -0.41 0.00 0.00 54.97 55.89 2k4j s GLU 17 Cb -0.09 -3.94 0.14 0.00 -1.78 0.00 0.00 34.13 28.46 2k4j s GLU 17 CO 0.01 -1.15 1.13 -1.25 -0.49 0.00 0.00 175.26 173.51 2k4j s PRO 18 N 4.32 1.14 0.25 0.39 0.04 -1.26 -4.60 135.00 135.28 2k4j s PRO 18 Ca 0.63 0.33 -0.07 0.00 0.04 0.00 0.00 61.00 61.92 2k4j s PRO 18 Cb -0.21 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2k4j s PRO 18 CO 0.25 -2.20 0.37 0.20 0.04 0.00 0.00 177.00 175.66 2k4j s GLY 19 N -3.98 0.97 0.12 0.56 0.00 -0.68 -5.00 107.32 99.33 2k4j s GLY 19 Ca 0.64 -1.24 -0.19 0.00 0.00 0.00 0.00 44.72 43.93 2k4j s GLY 19 CO 0.54 -0.92 0.47 0.51 0.00 0.00 0.00 173.10 173.69 2k4j s ASP 20 N -3.10 -0.35 -0.49 1.64 -4.77 -1.26 -0.22 116.67 108.13 2k4j s ASP 20 Ca 0.29 -0.17 0.06 0.00 -3.30 0.00 0.00 52.55 49.43 2k4j s ASP 20 Cb 0.02 0.51 0.23 0.00 -1.09 0.00 0.00 42.92 42.59 2k4j s ASP 20 CO 0.12 -0.86 0.88 0.00 0.70 0.00 0.00 175.17 176.01 2k4j n ALA 21 N -0.17 -1.56 -0.95 2.11 0.00 0.02 -4.97 120.51 114.98 2k4j n ALA 21 Ca -0.17 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 51.96 2k4j n ALA 21 Cb 0.64 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2k4j n ALA 21 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k4j n ASN 22 N 1.81 0.00 0.18 0.00 3.02 -1.26 -1.75 115.26 117.25 2k4j n ASN 22 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 2k4j n ASN 22 Cb 0.62 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.98 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 -3.41 2.41 2.04 -1.96 -3.47 117.51 113.12 2k4j h ILE 23 Ca 0.00 -0.90 -0.35 0.00 1.00 0.00 0.00 64.86 64.61 2k4j h ILE 23 Cb 0.00 1.82 -0.14 0.00 -0.74 0.00 0.00 36.82 37.75 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 -3.21 1.45 -0.02 1.37 -0.71 -0.72 -1.41 117.98 114.73 2k4j s PHE 24 Ca 0.07 -0.92 -0.04 0.00 -1.04 0.00 0.00 56.93 55.00 2k4j s PHE 24 Cb 0.07 -0.82 0.00 0.00 -1.21 0.00 0.00 43.02 41.06 2k4j s PHE 24 CO 0.68 -0.05 0.09 0.50 -1.34 0.00 0.00 175.22 175.09 2k4j s ARG 25 N -3.86 0.22 -0.10 1.99 3.52 -0.11 -0.80 118.95 119.82 2k4j s ARG 25 Ca 0.26 -0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.80 2k4j s ARG 25 Cb 0.05 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 2k4j s ARG 25 CO 0.07 -0.04 -0.23 0.08 -0.81 0.00 0.00 175.30 174.36 2k4j s VAL 26 N -0.49 2.09 -0.23 7.11 1.01 0.70 -0.30 120.40 130.30 2k4j s VAL 26 Ca -0.06 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 2k4j s VAL 26 Cb -0.04 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2k4j s VAL 26 CO 0.00 0.56 0.05 -0.62 0.00 0.00 0.00 175.10 175.09 2k4j s ASP 27 N 0.38 5.08 0.21 3.32 -1.08 -0.38 -1.68 116.67 122.53 2k4j s ASP 27 Ca -0.18 -0.18 0.22 0.00 -0.52 0.00 0.00 52.55 51.90 2k4j s ASP 27 Cb -0.18 -1.89 0.01 0.00 -1.46 0.00 0.00 42.92 39.40 2k4j s ASP 27 CO 0.08 0.02 1.07 0.50 0.52 0.00 0.00 175.17 177.35 2k4j h LYS 28 N 7.86 0.00 0.09 4.34 1.63 -1.83 -0.81 116.57 127.84 2k4j h LYS 28 Ca -0.37 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.31 2k4j h LYS 28 Cb 1.17 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.82 2k4j h LYS 28 CO 0.60 0.00 -0.52 0.22 -3.45 0.00 0.00 179.45 176.30 2k4j h ASP 29 N 0.00 0.30 0.35 4.20 3.58 -1.93 -3.29 116.42 119.63 2k4j h ASP 29 Ca -0.00 -0.97 0.00 0.00 0.42 0.00 0.00 57.03 56.48 2k4j h ASP 29 Cb 1.01 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.96 2k4j h ASP 29 CO 0.00 1.25 -0.13 -1.20 -2.88 0.00 0.00 179.24 176.28 2k4j n SER 30 N -4.30 0.54 -3.57 2.28 7.64 -1.26 -4.98 113.62 109.98 2k4j n SER 30 Ca -0.12 -0.60 -0.22 0.00 1.01 0.00 0.00 58.87 58.93 2k4j n SER 30 Cb 0.70 -0.05 0.08 0.00 -1.01 0.00 0.00 64.21 63.93 2k4j n SER 30 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k4j n ARG 31 N -0.92 -7.42 -4.35 1.43 1.74 -0.76 -4.94 116.66 101.43 2k4j n ARG 31 Ca 0.14 0.82 -0.18 0.00 -0.77 0.00 0.00 57.85 57.86 2k4j n ARG 31 Cb 0.29 -5.85 -0.10 0.00 -1.02 0.00 0.00 32.46 25.78 2k4j n ARG 31 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2k4j s GLU 32 N -6.05 1.48 0.02 5.56 -1.05 -0.38 -4.54 118.70 113.74 2k4j s GLU 32 Ca 0.41 -1.81 0.04 0.00 -0.15 0.00 0.00 54.97 53.47 2k4j s GLU 32 Cb -0.18 -0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 33.06 2k4j s GLU 32 CO 0.74 -0.27 -0.14 0.54 0.95 0.00 0.00 175.26 177.09 2k4j s VAL 33 N -3.63 1.07 -0.22 1.83 0.11 0.23 -1.25 120.40 118.55 2k4j s VAL 33 Ca 0.38 -0.83 -0.00 0.00 -2.93 0.00 0.00 61.98 58.59 2k4j s VAL 33 Cb 0.08 -0.95 0.02 0.00 -1.53 0.00 0.00 36.38 34.01 2k4j s VAL 33 CO 0.14 0.11 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.59 2k4j s TYR 34 N -0.65 2.96 0.45 1.54 1.51 0.59 -0.89 117.35 122.86 2k4j s TYR 34 Ca 0.03 -1.58 -0.15 0.00 -1.01 0.00 0.00 57.07 54.36 2k4j s TYR 34 Cb -0.07 -2.00 -0.08 0.00 -0.11 0.00 0.00 41.96 39.70 2k4j s TYR 34 CO 0.01 -0.75 0.90 1.41 -1.11 0.00 0.00 175.55 176.01 2k4j s MET 35 N 1.31 3.95 0.62 -0.62 1.75 0.21 -0.93 119.30 125.60 2k4j s MET 35 Ca 0.02 0.82 0.29 0.00 -1.25 0.00 0.00 55.69 55.57 2k4j s MET 35 Cb -0.15 -2.24 1.51 0.00 2.84 0.00 0.00 34.83 36.79 2k4j s MET 35 CO -0.08 -0.13 1.89 1.25 -0.65 0.00 0.00 175.02 177.31 2k4j h HIS 36 N 1.30 0.00 -0.01 4.11 2.76 -1.62 -1.37 115.15 120.33 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 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 2k4j h HIS 36 CO 0.62 0.00 -0.19 0.39 -1.30 0.00 0.00 177.93 177.46 2k4j n GLU 37 N -3.38 1.95 -3.64 5.26 -0.58 -1.26 -5.07 120.64 113.92 2k4j n GLU 37 Ca 0.04 -0.64 -0.10 0.00 -0.42 0.00 0.00 57.16 56.04 2k4j n GLU 37 Cb 0.56 -1.09 -0.07 0.00 -0.57 0.00 0.00 31.44 30.27 2k4j n GLU 37 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2k4j s LYS 38 N -1.29 0.76 -0.23 3.49 2.20 -0.52 -5.00 119.74 119.16 2k4j s LYS 38 Ca 0.08 1.12 -0.26 0.00 -0.36 0.00 0.00 55.97 56.56 2k4j s LYS 38 Cb 0.08 0.25 -0.00 0.00 -1.51 0.00 0.00 37.83 36.65 2k4j s LYS 38 CO 0.24 -0.13 0.87 0.21 -0.36 0.00 0.00 175.35 176.18 2k4j s LYS 39 N 1.09 4.22 -0.31 4.03 2.36 -1.26 -0.62 119.74 129.25 2k4j s LYS 39 Ca -0.06 1.04 -0.02 0.00 -2.55 0.00 0.00 55.97 54.39 2k4j s LYS 39 Cb -0.05 -3.63 0.10 0.00 -1.05 0.00 0.00 37.83 33.20 2k4j s LYS 39 CO -0.11 -0.50 0.12 -0.51 1.55 0.00 0.00 175.35 175.90 2k4j s LEU 40 N 2.78 1.63 0.01 5.43 1.43 -0.07 -4.86 118.68 125.03 2k4j s LEU 40 Ca 0.37 -1.61 -0.00 0.00 -1.03 0.00 0.00 54.13 51.86 2k4j s LEU 40 Cb -0.15 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 2k4j s LEU 40 CO 0.08 -0.41 0.10 -0.62 0.23 0.00 0.00 176.35 175.73 2k4j s ASP 41 N 1.68 5.80 0.00 2.29 2.15 -1.26 -0.60 116.67 126.72 2k4j s ASP 41 Ca 0.10 0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.24 2k4j s ASP 41 Cb -0.18 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 2k4j s ASP 41 CO -0.26 0.25 0.00 -0.11 -0.17 0.00 0.00 175.17 174.87 2k4j n LEU 42 N 0.96 0.00 -3.55 -1.34 7.94 -1.26 -4.79 117.00 114.96 2k4j n LEU 42 Ca -0.11 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.68 2k4j n LEU 42 Cb 0.52 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.45 2k4j n LEU 42 CO 0.41 0.00 0.38 0.42 -1.11 0.00 0.00 177.39 177.49 2k4j s THR 43 N 0.03 0.01 0.22 1.96 -4.23 -1.26 -5.04 115.64 107.32 2k4j s THR 43 Ca 0.00 -0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.13 2k4j s THR 43 Cb 0.00 -1.26 0.17 0.00 1.34 0.00 0.00 72.50 72.75 2k4j s THR 43 CO 0.00 -0.04 1.78 -0.09 -0.54 0.00 0.00 174.62 175.74 2k4j h ARG 44 N 2.05 0.58 -0.83 3.99 2.43 -2.00 0.15 114.38 120.76 2k4j h ARG 44 Ca -0.31 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 2k4j h ARG 44 Cb 1.29 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 2k4j h ARG 44 CO 0.36 0.39 0.41 0.00 -1.51 0.00 0.00 179.97 179.61 2k4j h ALA 45 N 1.41 1.16 -0.08 2.80 0.00 -1.97 -0.93 119.26 121.65 2k4j h ALA 45 Ca 0.34 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 2k4j h ALA 45 Cb 0.34 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k4j h ALA 45 CO -0.26 0.64 -0.73 0.93 0.00 0.00 0.00 179.25 179.84 2k4j h GLU 46 N 1.17 0.41 -0.61 0.00 3.07 -1.50 -1.44 114.58 115.68 2k4j h GLU 46 Ca 0.29 -0.34 0.03 0.00 -0.50 0.00 0.00 59.36 58.84 2k4j h GLU 46 Cb 0.10 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 2k4j h GLU 46 CO -0.04 0.98 0.36 -0.92 -1.40 0.00 0.00 179.01 177.99 2k4j h TYR 47 N 0.28 0.67 -0.19 4.33 3.20 -0.90 -1.81 116.97 122.54 2k4j h TYR 47 Ca -0.03 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.90 2k4j h TYR 47 Cb 1.31 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 2k4j h TYR 47 CO 0.04 0.37 -0.03 1.49 -1.64 0.00 0.00 178.16 178.40 2k4j h GLU 48 N 0.70 0.03 -0.37 1.82 4.57 -0.49 -0.06 114.58 120.78 2k4j h GLU 48 Ca 0.25 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.34 2k4j h GLU 48 Cb 0.06 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2k4j h GLU 48 CO -0.12 0.02 -0.12 -0.84 -1.18 0.00 0.00 179.01 176.77 2k4j h ILE 49 N 0.03 1.28 -0.27 2.32 3.07 -1.21 -1.76 117.51 120.97 2k4j h ILE 49 Ca 0.09 -1.22 -0.13 0.00 1.55 0.00 0.00 64.86 65.16 2k4j h ILE 49 Cb 0.13 1.31 -0.01 0.00 -0.27 0.00 0.00 36.82 37.97 2k4j h ILE 49 CO -0.18 0.40 -0.35 0.25 -1.05 0.00 0.00 178.15 177.22 2k4j h LEU 50 N 0.52 0.63 -0.29 0.16 6.46 -1.24 -0.73 115.31 120.82 2k4j h LEU 50 Ca 0.09 -0.26 0.05 0.00 -0.12 0.00 0.00 57.88 57.63 2k4j h LEU 50 Cb 0.65 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 2k4j h LEU 50 CO 0.04 0.93 0.03 0.28 -0.62 0.00 0.00 178.44 179.11 2k4j h SER 51 N 0.51 -0.04 -0.94 1.25 0.02 -0.93 -1.21 113.55 112.21 2k4j h SER 51 Ca 0.05 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2k4j h SER 51 Cb 0.85 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 2k4j h SER 51 CO 0.07 0.01 0.62 0.25 -1.14 0.00 0.00 176.83 176.64 2k4j h LEU 52 N 0.13 1.04 0.07 5.07 5.85 -0.96 -1.05 115.31 125.48 2k4j h LEU 52 Ca 0.14 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2k4j h LEU 52 Cb 0.16 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2k4j h LEU 52 CO -0.20 0.74 -0.03 0.25 -0.34 0.00 0.00 178.44 178.85 2k4j h LEU 53 N 1.22 -0.08 -0.71 2.25 5.85 -0.51 -0.22 115.31 123.11 2k4j h LEU 53 Ca 0.36 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.92 2k4j h LEU 53 Cb -0.06 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2k4j h LEU 53 CO -0.10 -0.03 -0.48 0.40 -0.34 0.00 0.00 178.44 177.90 2k4j h ILE 54 N -0.13 1.33 -0.37 4.05 1.08 -1.15 -1.04 117.51 121.28 2k4j h ILE 54 Ca -0.01 -1.70 -0.04 0.00 -0.39 0.00 0.00 64.86 62.72 2k4j h ILE 54 Cb 0.11 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 2k4j h ILE 54 CO 0.02 0.52 0.06 -1.28 -0.69 0.00 0.00 178.15 176.77 2k4j h SER 55 N 0.32 0.59 0.26 1.72 0.87 -1.00 -3.34 113.55 112.97 2k4j h SER 55 Ca 0.02 -0.26 -0.34 0.00 -1.23 0.00 0.00 61.79 59.98 2k4j h SER 55 Cb 0.97 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2k4j h SER 55 CO 0.08 0.70 -1.70 0.07 -0.53 0.00 0.00 176.83 175.45 2k4j h LYS 56 N 0.46 0.35 0.00 2.24 2.10 -1.03 -3.51 116.57 117.18 2k4j h LYS 56 Ca 0.11 -0.60 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2k4j h LYS 56 Cb 0.36 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2k4j h LYS 56 CO 0.01 1.26 0.00 0.36 -2.00 0.00 0.00 179.45 179.07 2k4j n LYS 57 N -3.55 0.00 0.12 0.07 2.85 -0.40 -5.07 118.16 112.19 2k4j n LYS 57 Ca -0.23 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 56.91 2k4j n LYS 57 Cb 1.07 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 35.38 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 -1.16 0.00 2.58 0.00 -1.75 -3.43 103.07 99.31 2k4j h GLY 58 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.91 2k4j h GLY 58 CO 0.00 -0.33 0.00 2.98 0.00 0.00 0.00 176.54 179.19 2k4j n TYR 59 N -4.59 -0.52 -3.71 5.60 9.36 -0.69 -4.28 117.16 118.33 2k4j n TYR 59 Ca -0.07 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.77 2k4j n TYR 59 Cb 0.30 0.15 -0.12 0.00 -0.63 0.00 0.00 39.34 39.04 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 4.15 -0.62 2.97 1.01 -1.26 -0.92 120.40 125.73 2k4j s VAL 60 Ca 0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 2k4j s VAL 60 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2k4j s VAL 60 CO 0.00 -0.05 1.55 0.12 0.00 0.00 0.00 175.10 176.72 2k4j s PHE 61 N 1.50 2.04 0.06 5.22 5.36 0.19 -4.77 117.98 127.59 2k4j s PHE 61 Ca 0.02 0.45 0.08 0.00 -0.96 0.00 0.00 56.93 56.51 2k4j s PHE 61 Cb -0.18 -4.34 -0.03 0.00 -0.34 0.00 0.00 43.02 38.13 2k4j s PHE 61 CO 0.04 -2.17 -0.20 -1.12 -1.46 0.00 0.00 175.22 170.32 2k4j s SER 62 N 5.63 3.72 0.39 6.13 0.01 -1.26 -1.39 113.70 126.92 2k4j s SER 62 Ca 0.54 -0.49 0.14 0.00 1.31 0.00 0.00 55.95 57.45 2k4j s SER 62 Cb -0.11 -0.54 0.98 0.00 0.21 0.00 0.00 66.02 66.56 2k4j s SER 62 CO 0.21 0.24 1.85 0.08 0.41 0.00 0.00 173.24 176.03 2k4j h ARG 63 N 4.38 0.50 0.22 12.44 0.11 -1.82 0.14 114.38 130.36 2k4j h ARG 63 Ca -0.48 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.56 2k4j h ARG 63 Cb 1.16 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.13 2k4j h ARG 63 CO 0.46 0.33 -0.11 1.49 0.10 0.00 0.00 179.97 182.25 2k4j h GLU 64 N 0.51 -0.29 -0.93 0.08 4.81 -1.82 -1.56 114.58 115.38 2k4j h GLU 64 Ca 0.48 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.74 2k4j h GLU 64 Cb 1.03 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 2k4j h GLU 64 CO -0.21 0.05 0.62 1.03 -0.73 0.00 0.00 179.01 179.78 2k4j h SER 65 N -0.69 1.07 -0.00 1.04 0.87 -1.71 0.33 113.55 114.47 2k4j h SER 65 Ca -0.03 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2k4j h SER 65 Cb 0.48 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 2k4j h SER 65 CO 0.05 0.78 -0.48 0.40 -0.53 0.00 0.00 176.83 177.05 2k4j h ILE 66 N 1.27 0.08 0.00 2.23 1.08 -0.80 -1.02 117.51 120.35 2k4j h ILE 66 Ca 0.34 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.79 2k4j h ILE 66 Cb -0.15 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 33.68 2k4j h ILE 66 CO -0.07 0.00 -0.09 0.00 -0.69 0.00 0.00 178.15 177.29 2k4j h ALA 67 N -0.21 1.31 -0.10 1.87 0.00 -0.79 0.18 119.26 121.52 2k4j h ALA 67 Ca 0.03 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2k4j h ALA 67 Cb 0.69 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k4j h ALA 67 CO -0.34 0.11 -0.71 0.82 0.00 0.00 0.00 179.25 179.13 2k4j h ILE 68 N 0.00 1.36 0.00 0.00 2.04 -0.45 -3.32 117.51 117.15 2k4j h ILE 68 Ca -0.00 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.77 2k4j h ILE 68 Cb 0.27 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2k4j h ILE 68 CO 0.01 0.63 -0.21 -0.08 0.00 0.00 0.00 178.15 178.50 2k4j h GLU 69 N 0.32 0.00 0.17 2.37 4.22 -0.24 -3.45 114.58 117.96 2k4j h GLU 69 Ca -0.03 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.16 2k4j h GLU 69 Cb 1.29 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.56 2k4j h GLU 69 CO 0.13 0.00 -1.19 0.66 -2.18 0.00 0.00 179.01 176.43 2k4j h SER 70 N -0.49 0.55 0.00 1.04 4.64 -0.88 -3.47 113.55 114.93 2k4j h SER 70 Ca 0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 2k4j h SER 70 Cb 0.21 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2k4j h SER 70 CO 0.00 1.55 0.00 1.21 -0.87 0.00 0.00 176.83 178.72 2k4j n GLU 71 N -3.94 -0.56 0.00 4.77 2.13 -1.25 -4.84 120.64 116.95 2k4j n GLU 71 Ca -0.18 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2k4j n GLU 71 Cb 0.93 -3.94 0.00 0.00 0.27 0.00 0.00 31.44 28.70 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 -0.28 1.63 -3.83 4.31 7.64 -1.26 -4.73 113.62 117.09 2k4j n SER 72 Ca 0.00 -1.73 -0.13 0.00 1.01 0.00 0.00 58.87 58.02 2k4j n SER 72 Cb 0.14 -0.43 -0.14 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.50 -0.02 0.01 0.44 -1.09 -1.26 -5.12 121.20 113.66 2k4j s ILE 73 Ca 0.00 0.07 -0.25 0.00 -2.23 0.00 0.00 60.65 58.24 2k4j s ILE 73 Cb 0.00 -0.07 -0.17 0.00 -1.58 0.00 0.00 42.46 40.64 2k4j s ILE 73 CO 0.00 0.03 1.26 0.78 -1.23 0.00 0.00 174.94 175.78 2k4j h ASN 74 N 6.47 -0.26 -3.77 3.58 4.21 -2.02 -3.44 115.58 120.35 2k4j h ASN 74 Ca -0.31 -0.22 -0.51 0.00 1.21 0.00 0.00 56.30 56.47 2k4j h ASN 74 Cb 1.18 0.07 0.03 0.00 -1.12 0.00 0.00 38.32 38.48 2k4j h ASN 74 CO 0.48 0.11 0.54 -2.16 -1.29 0.00 0.00 177.43 175.11 2k4j s PRO 75 N -4.66 4.53 0.40 0.81 0.04 -1.26 -4.96 135.00 129.90 2k4j s PRO 75 Ca -0.14 1.95 0.21 0.00 0.04 0.00 0.00 61.00 63.05 2k4j s PRO 75 Cb 0.02 -3.16 0.69 0.00 0.04 0.00 0.00 34.50 32.09 2k4j s PRO 75 CO 0.57 0.04 1.73 1.49 0.04 0.00 0.00 177.00 180.87 2k4j h GLU 76 N 3.94 0.00 -0.03 4.56 4.81 -1.98 -2.66 114.58 123.22 2k4j h GLU 76 Ca -0.47 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.61 2k4j h GLU 76 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2k4j h GLU 76 CO 0.68 0.31 -0.68 0.77 -0.73 0.00 0.00 179.01 179.35 2k4j h SER 77 N 0.00 0.16 -1.63 1.04 0.02 -1.93 -3.42 113.55 107.79 2k4j h SER 77 Ca -0.00 -0.10 -0.42 0.00 -0.84 0.00 0.00 61.79 60.42 2k4j h SER 77 Cb 0.91 -0.05 -0.12 0.00 0.14 0.00 0.00 62.40 63.28 2k4j h SER 77 CO 0.04 0.79 -0.43 -1.54 -1.14 0.00 0.00 176.83 174.55 2k4j n SER 78 N -3.78 -5.57 0.18 3.07 3.41 -1.01 -4.47 113.62 105.46 2k4j n SER 78 Ca -0.02 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.06 2k4j n SER 78 Cb 0.67 -4.83 0.66 0.00 -0.26 0.00 0.00 64.21 60.44 2k4j n SER 78 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k4j h ASN 79 N 0.00 0.00 1.37 4.04 -1.07 -1.92 0.21 115.58 118.21 2k4j h ASN 79 Ca -0.44 -0.00 -0.10 0.00 0.07 0.00 0.00 56.30 55.82 2k4j h ASN 79 Cb 1.35 -0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.59 2k4j h ASN 79 CO 0.61 0.00 -0.49 0.11 0.07 0.00 0.00 177.43 177.73 2k4j h LYS 80 N 0.00 0.00 0.78 4.14 1.57 -1.99 -2.15 116.57 118.92 2k4j h LYS 80 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2k4j h LYS 80 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.64 2k4j h LYS 80 CO -0.00 0.49 -0.37 1.03 -0.57 0.00 0.00 179.45 180.03 2k4j h SER 81 N 0.00 -0.88 -0.54 0.86 0.87 -1.02 -2.08 113.55 110.76 2k4j h SER 81 Ca -0.00 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2k4j h SER 81 Cb 1.31 0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 63.47 2k4j h SER 81 CO 0.06 -0.62 0.36 -0.29 -0.53 0.00 0.00 176.83 175.81 2k4j h ILE 82 N -1.06 1.11 -0.00 2.23 2.10 -1.28 0.16 117.51 120.76 2k4j h ILE 82 Ca -0.11 -0.24 0.02 0.00 1.08 0.00 0.00 64.86 65.61 2k4j h ILE 82 Cb 0.80 0.36 -0.02 0.00 -1.09 0.00 0.00 36.82 36.87 2k4j h ILE 82 CO 0.18 0.13 -0.09 -0.78 -1.08 0.00 0.00 178.15 176.50 2k4j h ASP 83 N 0.69 -0.27 -0.54 2.19 3.58 -1.46 0.10 116.42 120.71 2k4j h ASP 83 Ca 0.20 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2k4j h ASP 83 Cb -0.02 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 2k4j h ASP 83 CO -0.05 -0.13 0.35 0.58 -2.88 0.00 0.00 179.24 177.11 2k4j h VAL 84 N -0.16 1.14 0.68 2.25 2.07 -0.39 -1.48 116.25 120.37 2k4j h VAL 84 Ca 0.04 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2k4j h VAL 84 Cb 0.21 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2k4j h VAL 84 CO -0.10 0.14 -0.33 0.40 0.02 0.00 0.00 177.57 177.71 2k4j h ILE 85 N 0.73 0.14 -0.59 4.57 1.08 -0.45 -0.14 117.51 122.85 2k4j h ILE 85 Ca 0.20 -0.28 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 2k4j h ILE 85 Cb -0.07 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 33.84 2k4j h ILE 85 CO -0.04 0.02 0.20 0.40 -0.69 0.00 0.00 178.15 178.03 2k4j h ILE 86 N -1.16 1.24 -0.26 -0.67 1.08 -0.89 0.68 117.51 117.53 2k4j h ILE 86 Ca -0.09 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 2k4j h ILE 86 Cb 0.73 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2k4j h ILE 86 CO 0.15 0.30 0.10 1.23 -0.69 0.00 0.00 178.15 179.24 2k4j h GLY 87 N 0.83 0.43 1.64 5.37 0.00 -1.26 -1.34 103.07 108.74 2k4j h GLY 87 Ca 0.19 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 2k4j h GLY 87 CO -0.01 0.22 -0.79 -0.09 0.00 0.00 0.00 176.54 175.87 2k4j h ARG 88 N 0.27 0.00 0.10 4.80 9.65 -0.93 -1.47 114.38 126.80 2k4j h ARG 88 Ca 0.09 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.98 2k4j h ARG 88 Cb 0.20 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 2k4j h ARG 88 CO -0.01 0.40 -0.16 1.25 2.80 0.00 0.00 179.97 184.25 2k4j h LEU 89 N 0.00 -0.45 -0.52 3.80 6.46 -0.87 -0.86 115.31 122.87 2k4j h LEU 89 Ca -0.05 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.85 2k4j h LEU 89 Cb 1.42 0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 41.45 2k4j h LEU 89 CO 0.05 -0.24 0.11 -0.09 -0.62 0.00 0.00 178.44 177.66 2k4j h ARG 90 N -0.33 0.24 -0.30 1.25 2.43 -1.10 -0.32 114.38 116.26 2k4j h ARG 90 Ca 0.02 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2k4j h ARG 90 Cb 0.34 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2k4j h ARG 90 CO -0.08 0.16 0.03 0.77 -1.51 0.00 0.00 179.97 179.33 2k4j h SER 91 N 0.25 -0.06 -0.77 -3.80 0.02 -1.11 0.39 113.55 108.47 2k4j h SER 91 Ca 0.26 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 2k4j h SER 91 Cb 0.36 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 2k4j h SER 91 CO -0.34 0.00 0.29 0.11 -1.14 0.00 0.00 176.83 175.76 2k4j h LYS 92 N 0.12 1.15 -0.00 3.45 1.79 -0.22 -1.04 116.57 121.82 2k4j h LYS 92 Ca 0.14 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2k4j h LYS 92 Cb 0.18 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2k4j h LYS 92 CO -0.22 0.94 -0.05 0.44 -1.08 0.00 0.00 179.45 179.49 2k4j n ILE 93 N -4.30 0.00 0.06 1.86 -6.64 -0.22 -1.57 119.36 108.55 2k4j n ILE 93 Ca 0.07 -0.00 -0.22 0.00 -1.77 0.00 0.00 62.75 60.82 2k4j n ILE 93 Cb 0.19 -0.42 -0.15 0.00 -1.44 0.00 0.00 39.64 37.83 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 0.03 0.35 -0.19 6.28 4.81 -0.62 -3.39 114.58 121.85 2k4j h GLU 94 Ca 0.00 -0.60 -0.11 0.00 -0.13 0.00 0.00 59.36 58.53 2k4j h GLU 94 Cb 0.45 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 2k4j h GLU 94 CO 0.00 1.26 -0.30 0.87 -0.73 0.00 0.00 179.01 180.11 2k4j h LYS 95 N 0.10 0.54 -7.15 1.92 1.57 -1.13 -3.43 116.57 108.99 2k4j h LYS 95 Ca -0.35 -0.33 -0.47 0.00 -1.87 0.00 0.00 60.65 57.63 2k4j h LYS 95 Cb 2.08 0.03 0.03 0.00 0.08 0.00 0.00 32.23 34.45 2k4j h LYS 95 CO 0.16 0.93 0.37 -0.80 -0.57 0.00 0.00 179.45 179.54 2k4j s ASN 96 N -6.46 6.32 0.48 0.86 0.02 -0.61 -5.00 114.94 110.56 2k4j s ASN 96 Ca -0.13 1.75 0.28 0.00 -1.02 0.00 0.00 52.86 53.73 2k4j s ASN 96 Cb 0.07 -2.53 0.90 0.00 0.02 0.00 0.00 41.25 39.71 2k4j s ASN 96 CO 0.81 -0.80 1.81 1.55 0.02 0.00 0.00 177.10 180.49 2k4j h PRO 97 N 1.02 0.00 -6.16 -0.60 0.13 -1.83 -3.43 132.00 121.13 2k4j h PRO 97 Ca -0.48 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 2k4j h PRO 97 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2k4j h PRO 97 CO 0.59 0.08 1.26 0.21 -0.23 0.00 0.00 178.00 179.91 2k4j s LYS 98 N -3.49 2.95 0.28 0.86 2.47 -1.26 -5.00 119.74 116.54 2k4j s LYS 98 Ca 0.03 0.64 0.06 0.00 -1.56 0.00 0.00 55.97 55.14 2k4j s LYS 98 Cb 0.08 -4.28 -0.03 0.00 -1.46 0.00 0.00 37.83 32.15 2k4j s LYS 98 CO 0.61 -2.36 0.36 -0.65 0.16 0.00 0.00 175.35 173.47 2k4j s GLN 99 N 6.35 3.20 0.72 4.03 -0.21 -1.26 -4.72 119.66 127.77 2k4j s GLN 99 Ca 0.63 -0.93 -0.13 0.00 0.02 0.00 0.00 55.36 54.96 2k4j s GLN 99 Cb -0.13 -2.78 0.03 0.00 1.00 0.00 0.00 33.01 31.13 2k4j s GLN 99 CO 0.23 0.30 1.11 -1.25 -2.12 0.00 0.00 175.29 173.56 2k4j s PRO 100 N -4.01 2.49 0.00 2.91 0.04 -1.26 -4.95 135.00 130.22 2k4j s PRO 100 Ca 0.37 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2k4j s PRO 100 Cb -0.09 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2k4j s PRO 100 CO 0.29 -1.48 0.00 0.00 0.04 0.00 0.00 177.00 175.84 2k4j n GLN 101 N -2.95 0.00 -0.34 4.56 10.64 -1.26 -4.95 117.38 123.09 2k4j n GLN 101 Ca 0.10 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.36 2k4j n GLN 101 Cb 0.52 0.00 0.27 0.00 -0.86 0.00 0.00 30.24 30.18 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 -1.20 0.87 -5.26 2.61 4.01 -1.26 -4.86 117.16 112.07 2k4j n TYR 102 Ca 0.00 -0.42 -0.31 0.00 -0.16 0.00 0.00 57.90 57.01 2k4j n TYR 102 Cb 0.00 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 38.84 2k4j n TYR 102 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2k4j s ILE 103 N -1.26 2.04 0.12 -0.72 2.07 -1.26 -3.77 121.20 118.41 2k4j s ILE 103 Ca 0.41 -1.07 0.10 0.00 -1.41 0.00 0.00 60.65 58.68 2k4j s ILE 103 Cb 0.22 -1.72 -0.04 0.00 0.13 0.00 0.00 42.46 41.05 2k4j s ILE 103 CO 0.27 0.57 -0.24 -0.63 -1.91 0.00 0.00 174.94 172.99 2k4j s ILE 104 N -0.21 2.00 0.03 2.00 1.01 0.32 -4.98 121.20 121.37 2k4j s ILE 104 Ca -0.02 -1.66 -0.22 0.00 0.00 0.00 0.00 60.65 58.74 2k4j s ILE 104 Cb -0.13 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.49 2k4j s ILE 104 CO 0.03 0.02 0.67 -0.44 0.00 0.00 0.00 174.94 175.22 2k4j s SER 105 N -2.00 7.09 -0.49 3.58 0.01 -1.26 -0.57 113.70 120.07 2k4j s SER 105 Ca 0.11 1.30 0.03 0.00 1.31 0.00 0.00 55.95 58.69 2k4j s SER 105 Cb -0.10 -2.41 0.13 0.00 0.21 0.00 0.00 66.02 63.85 2k4j s SER 105 CO 0.05 0.08 0.25 -0.69 0.41 0.00 0.00 173.24 173.35 2k4j s VAL 106 N -0.23 2.08 0.00 3.43 1.01 0.22 -4.87 120.40 122.03 2k4j s VAL 106 Ca 0.34 -3.00 0.00 0.00 0.00 0.00 0.00 61.98 59.32 2k4j s VAL 106 Cb -0.19 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2k4j s VAL 106 CO 0.20 -0.84 0.00 0.54 0.00 0.00 0.00 175.10 175.00 2k4j n ARG 107 N 3.29 -0.65 -0.99 2.72 5.12 -1.26 -1.57 116.66 123.31 2k4j n ARG 107 Ca 0.07 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 2k4j n ARG 107 Cb 0.33 -4.22 0.00 0.00 -1.16 0.00 0.00 32.46 27.41 2k4j n ARG 107 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k4j n GLY 108 N -1.13 0.85 0.07 -0.13 0.00 -1.26 -4.88 105.19 98.71 2k4j n GLY 108 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.25 0.82 -4.35 -0.61 5.41 -0.81 -4.90 119.36 112.67 2k4j n ILE 109 Ca 0.00 -0.37 -0.29 0.00 1.00 0.00 0.00 62.75 63.09 2k4j n ILE 109 Cb 0.00 -0.91 -0.12 0.00 -0.71 0.00 0.00 39.64 37.90 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 -5.08 1.66 -0.13 7.39 0.00 -0.61 -2.67 107.32 107.88 2k4j s GLY 110 Ca -0.15 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.12 2k4j s GLY 110 CO 0.38 -1.44 -0.13 -0.19 0.00 0.00 0.00 173.10 171.72 2k4j s TYR 111 N -1.24 1.96 -0.03 1.90 1.51 -0.48 -0.61 117.35 120.36 2k4j s TYR 111 Ca 0.18 -1.05 -0.26 0.00 -1.01 0.00 0.00 57.07 54.92 2k4j s TYR 111 Cb -0.10 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 2k4j s TYR 111 CO 0.09 -0.60 0.82 0.21 -1.11 0.00 0.00 175.55 174.96 2k4j s LYS 112 N 1.46 4.50 0.05 -0.62 2.20 0.27 -0.63 119.74 126.95 2k4j s LYS 112 Ca 0.03 1.11 -0.03 0.00 -0.36 0.00 0.00 55.97 56.72 2k4j s LYS 112 Cb -0.13 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2k4j s LYS 112 CO -0.09 0.04 0.04 -1.17 -0.36 0.00 0.00 175.35 173.82 2k4j s LEU 113 N 0.79 2.08 -0.00 5.43 0.20 -0.10 -0.52 118.68 126.56 2k4j s LEU 113 Ca 0.43 -0.71 -0.09 0.00 0.69 0.00 0.00 54.13 54.45 2k4j s LEU 113 Cb -0.19 0.43 0.01 0.00 -0.43 0.00 0.00 46.19 46.00 2k4j s LEU 113 CO 0.23 -0.54 0.18 -0.70 -0.29 0.00 0.00 176.35 175.23 2k4j s GLU 114 N -3.06 0.53 0.00 1.98 2.12 -1.25 -1.70 118.70 117.33 2k4j s GLU 114 Ca -0.01 -0.36 0.19 0.00 0.36 0.00 0.00 54.97 55.15 2k4j s GLU 114 Cb 0.02 0.23 1.14 0.00 0.26 0.00 0.00 34.13 35.77 2k4j s GLU 114 CO -0.07 -0.13 1.53 2.48 -0.54 0.00 0.00 175.26 178.53