#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 6.30 0.50 1.61 1.04 -1.26 -5.05 113.70 116.85 2k4j s SER 12 Ca 0.00 1.81 -0.21 0.00 0.48 0.00 0.00 55.95 58.03 2k4j s SER 12 Cb 0.00 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 2k4j s SER 12 CO 0.00 -0.81 1.12 -1.61 0.98 0.00 0.00 173.24 172.93 2k4j s GLU 13 N -3.60 3.57 0.11 4.02 8.01 -1.26 -5.08 118.70 124.48 2k4j s GLU 13 Ca 0.64 1.62 -0.02 0.00 0.01 0.00 0.00 54.97 57.23 2k4j s GLU 13 Cb -0.14 -2.16 -0.04 0.00 -4.31 0.00 0.00 34.13 27.48 2k4j s GLU 13 CO 0.26 -0.67 0.06 -1.21 0.01 0.00 0.00 175.26 173.70 2k4j s GLU 14 N -3.06 0.87 0.74 1.61 2.02 -1.26 -5.17 118.70 114.45 2k4j s GLU 14 Ca 0.69 -1.35 -0.12 0.00 0.02 0.00 0.00 54.97 54.21 2k4j s GLU 14 Cb -0.24 0.25 0.04 0.00 0.10 0.00 0.00 34.13 34.28 2k4j s GLU 14 CO 0.28 -0.24 1.10 0.14 0.02 0.00 0.00 175.26 176.57 2k4j s VAL 15 N -4.00 3.22 -0.64 2.63 -7.23 -1.26 -4.36 120.40 108.76 2k4j s VAL 15 Ca 0.19 0.45 -0.01 0.00 -1.81 0.00 0.00 61.98 60.80 2k4j s VAL 15 Cb 0.07 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2k4j s VAL 15 CO -0.02 -0.47 0.54 -1.20 -0.31 0.00 0.00 175.10 173.65 2k4j n SER 16 N -3.20 -2.73 -4.74 4.85 7.64 -1.26 -4.98 113.62 109.21 2k4j n SER 16 Ca 0.10 -0.30 -0.41 0.00 1.01 0.00 0.00 58.87 59.26 2k4j n SER 16 Cb 0.53 -2.85 0.01 0.00 -1.01 0.00 0.00 64.21 60.88 2k4j n SER 16 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k4j n GLU 17 N -2.67 2.28 -1.36 1.43 4.71 -1.26 -4.45 120.64 119.32 2k4j n GLU 17 Ca -0.10 0.80 -0.29 0.00 -0.01 0.00 0.00 57.16 57.57 2k4j n GLU 17 Cb 0.57 -2.53 0.15 0.00 -1.01 0.00 0.00 31.44 28.62 2k4j n GLU 17 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2k4j s PRO 18 N -2.20 0.88 0.20 3.49 0.04 -1.26 -4.76 135.00 131.38 2k4j s PRO 18 Ca 0.58 0.43 0.10 0.00 0.04 0.00 0.00 61.00 62.15 2k4j s PRO 18 Cb -0.49 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 2k4j s PRO 18 CO 0.60 -2.40 -0.19 0.20 0.04 0.00 0.00 177.00 175.25 2k4j s GLY 19 N -3.74 1.55 0.20 0.56 0.00 -0.55 -4.98 107.32 100.36 2k4j s GLY 19 Ca 0.64 -1.62 0.08 0.00 0.00 0.00 0.00 44.72 43.83 2k4j s GLY 19 CO 0.55 -1.68 -0.16 0.99 0.00 0.00 0.00 173.10 172.81 2k4j s ASP 20 N -2.92 2.67 -0.42 1.64 1.01 -1.26 -0.34 116.67 117.04 2k4j s ASP 20 Ca 0.20 -0.99 0.09 0.00 0.71 0.00 0.00 52.55 52.56 2k4j s ASP 20 Cb -0.05 -0.15 0.36 0.00 1.01 0.00 0.00 42.92 44.08 2k4j s ASP 20 CO 0.09 -0.13 1.13 0.00 0.21 0.00 0.00 175.17 176.47 2k4j n ALA 21 N -0.26 0.55 -0.89 5.23 0.00 -0.12 -4.91 120.51 120.11 2k4j n ALA 21 Ca -0.09 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.56 2k4j n ALA 21 Cb 0.60 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.02 0.00 0.03 0.00 3.02 -1.26 -1.74 115.26 115.33 2k4j n ASN 22 Ca 0.06 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.74 2k4j n ASN 22 Cb 0.75 0.00 0.34 0.00 -0.61 0.00 0.00 39.78 40.26 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 0.15 -4.31 2.41 -0.00 -1.26 -4.90 119.36 111.45 2k4j n ILE 23 Ca 0.00 -0.10 -0.17 0.00 -0.00 0.00 0.00 62.75 62.48 2k4j n ILE 23 Cb 0.00 -0.12 -0.06 0.00 -0.00 0.00 0.00 39.64 39.46 2k4j n ILE 23 CO 0.00 0.00 0.00 2.22 -0.00 0.00 0.00 176.55 178.77 2k4j n PHE 24 N -1.73 -0.17 -3.58 1.39 -1.74 -0.71 -1.41 117.46 109.51 2k4j n PHE 24 Ca 0.05 -2.00 -0.13 0.00 -0.56 0.00 0.00 57.45 54.81 2k4j n PHE 24 Cb 0.37 0.08 -0.05 0.00 1.52 0.00 0.00 39.48 41.40 2k4j n PHE 24 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2k4j s ARG 25 N -3.10 1.04 -0.10 3.97 3.52 0.13 -0.95 118.95 123.47 2k4j s ARG 25 Ca 0.21 -0.28 0.03 0.00 -0.13 0.00 0.00 55.73 55.56 2k4j s ARG 25 Cb 0.01 0.47 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 2k4j s ARG 25 CO 0.15 -0.38 -0.19 0.54 -0.81 0.00 0.00 175.30 174.61 2k4j s VAL 26 N -2.58 1.72 -0.47 7.11 0.11 0.54 -0.82 120.40 126.00 2k4j s VAL 26 Ca -0.05 -0.80 -0.17 0.00 -2.93 0.00 0.00 61.98 58.03 2k4j s VAL 26 Cb -0.01 -1.52 0.05 0.00 -1.53 0.00 0.00 36.38 33.38 2k4j s VAL 26 CO -0.03 0.48 0.48 -0.62 -3.33 0.00 0.00 175.10 172.09 2k4j s ASP 27 N 0.64 6.19 0.37 3.54 -1.08 -0.04 -1.48 116.67 124.80 2k4j s ASP 27 Ca -0.13 -0.99 0.20 0.00 -0.52 0.00 0.00 52.55 51.10 2k4j s ASP 27 Cb -0.16 -2.23 0.39 0.00 -1.46 0.00 0.00 42.92 39.46 2k4j s ASP 27 CO 0.04 -0.71 1.60 0.11 0.52 0.00 0.00 175.17 176.73 2k4j h LYS 28 N 8.83 0.00 0.00 4.34 1.57 -1.86 -0.73 116.57 128.73 2k4j h LYS 28 Ca -0.27 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2k4j h LYS 28 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2k4j h LYS 28 CO 0.88 0.29 -0.00 0.22 -0.57 0.00 0.00 179.45 180.27 2k4j h ASP 29 N 0.00 -0.00 0.77 0.86 3.58 -1.92 -3.33 116.42 116.37 2k4j h ASP 29 Ca -0.00 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 56.56 2k4j h ASP 29 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2k4j h ASP 29 CO 0.04 0.91 -0.37 -1.20 -2.88 0.00 0.00 179.24 175.74 2k4j n SER 30 N -4.65 0.44 -1.72 2.28 7.64 -1.26 -4.98 113.62 111.37 2k4j n SER 30 Ca -0.09 0.08 -0.07 0.00 1.01 0.00 0.00 58.87 59.80 2k4j n SER 30 Cb 0.43 -0.03 0.03 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.69 -2.44 -4.43 1.43 3.00 -0.45 -5.03 116.66 107.04 2k4j n ARG 31 Ca 0.05 0.29 -0.23 0.00 -0.00 0.00 0.00 57.85 57.97 2k4j n ARG 31 Cb 0.37 -3.65 -0.10 0.00 0.00 0.00 0.00 32.46 29.07 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 -4.85 1.58 -0.04 -0.14 2.02 -0.41 -4.43 118.70 112.44 2k4j s GLU 32 Ca 0.08 -1.72 0.05 0.00 0.02 0.00 0.00 54.97 53.40 2k4j s GLU 32 Cb -0.03 -1.59 -0.01 0.00 0.10 0.00 0.00 34.13 32.60 2k4j s GLU 32 CO 0.25 0.29 -0.18 0.14 0.02 0.00 0.00 175.26 175.78 2k4j s VAL 33 N -2.62 1.47 -0.31 2.63 -7.23 0.33 -0.86 120.40 113.81 2k4j s VAL 33 Ca 0.28 -0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.64 2k4j s VAL 33 Cb -0.04 -1.25 0.02 0.00 0.56 0.00 0.00 36.38 35.67 2k4j s VAL 33 CO 0.13 0.42 0.08 -0.31 -0.31 0.00 0.00 175.10 175.11 2k4j s TYR 34 N -0.07 3.18 0.33 2.82 1.51 -0.00 -1.52 117.35 123.61 2k4j s TYR 34 Ca -0.02 -1.18 -0.10 0.00 -1.01 0.00 0.00 57.07 54.76 2k4j s TYR 34 Cb -0.11 -2.25 -0.07 0.00 -0.11 0.00 0.00 41.96 39.42 2k4j s TYR 34 CO 0.02 -0.64 0.68 1.41 -1.11 0.00 0.00 175.55 175.90 2k4j s MET 35 N 1.45 3.81 0.61 -0.62 1.75 -0.18 -0.69 119.30 125.43 2k4j s MET 35 Ca 0.01 0.39 0.29 0.00 -1.25 0.00 0.00 55.69 55.13 2k4j s MET 35 Cb -0.18 -2.49 1.55 0.00 2.84 0.00 0.00 34.83 36.54 2k4j s MET 35 CO 0.02 0.12 1.94 1.25 -0.65 0.00 0.00 175.02 177.70 2k4j h HIS 36 N 1.81 0.00 0.20 4.11 2.76 -1.61 -0.87 115.15 121.54 2k4j h HIS 36 Ca -0.47 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.36 2k4j h HIS 36 Cb 1.18 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.16 2k4j h HIS 36 CO 0.60 0.00 -1.62 0.93 -1.30 0.00 0.00 177.93 176.55 2k4j h GLU 37 N 0.00 0.41 -1.43 5.26 5.08 -1.94 -3.51 114.58 118.45 2k4j h GLU 37 Ca 0.13 -0.71 0.24 0.00 -1.00 0.00 0.00 59.36 58.02 2k4j h GLU 37 Cb 0.92 0.26 -0.20 0.00 0.50 0.00 0.00 28.75 30.23 2k4j h GLU 37 CO -0.00 1.32 0.81 -1.59 -1.00 0.00 0.00 179.01 178.55 2k4j s LYS 38 N -2.59 0.30 0.05 2.33 -2.85 -0.33 -4.99 119.74 111.65 2k4j s LYS 38 Ca -0.12 -0.08 -0.18 0.00 -1.00 0.00 0.00 55.97 54.59 2k4j s LYS 38 Cb 0.05 0.14 -0.06 0.00 -2.06 0.00 0.00 37.83 35.90 2k4j s LYS 38 CO 0.88 -0.12 0.54 0.21 0.10 0.00 0.00 175.35 176.96 2k4j s LYS 39 N -2.13 4.16 0.03 1.78 2.20 -1.26 -1.01 119.74 123.50 2k4j s LYS 39 Ca 0.08 0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 56.31 2k4j s LYS 39 Cb -0.01 -3.25 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 2k4j s LYS 39 CO -0.05 0.61 0.09 -0.48 -0.36 0.00 0.00 175.35 175.16 2k4j s LEU 40 N -0.96 1.81 -0.39 5.43 2.34 -0.57 -4.95 118.68 121.38 2k4j s LEU 40 Ca 0.28 -0.44 0.10 0.00 0.06 0.00 0.00 54.13 54.12 2k4j s LEU 40 Cb -0.19 0.54 0.40 0.00 -0.56 0.00 0.00 46.19 46.38 2k4j s LEU 40 CO 0.17 -0.44 1.33 -0.90 -1.06 0.00 0.00 176.35 175.46 2k4j n ASP 41 N 1.08 -1.62 0.00 1.48 5.68 -1.26 -0.51 116.55 121.40 2k4j n ASP 41 Ca -0.21 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.61 2k4j n ASP 41 Cb 0.57 0.88 0.00 0.00 -1.14 0.00 0.00 41.12 41.43 2k4j n ASP 41 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2k4j n LEU 42 N -0.58 0.00 0.00 -2.12 7.99 -1.26 -4.92 117.00 116.11 2k4j n LEU 42 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.89 2k4j n LEU 42 Cb 0.85 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.16 2k4j n LEU 42 CO -0.05 0.00 0.29 0.41 -1.51 0.00 0.00 177.39 176.52 2k4j n THR 43 N 0.00 0.00 -0.32 -5.08 -1.04 -1.26 -4.83 114.28 101.75 2k4j n THR 43 Ca 0.00 -0.97 0.03 0.00 -2.04 0.00 0.00 64.05 61.07 2k4j n THR 43 Cb 0.00 0.77 0.17 0.00 -1.82 0.00 0.00 70.33 69.45 2k4j n THR 43 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2k4j h ARG 44 N 0.00 0.90 0.25 -2.82 3.08 -1.98 0.06 114.38 113.87 2k4j h ARG 44 Ca -0.23 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 2k4j h ARG 44 Cb 0.90 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2k4j h ARG 44 CO 0.30 0.59 -0.12 0.00 -1.07 0.00 0.00 179.97 179.67 2k4j h ALA 45 N 1.45 -0.33 -0.52 0.04 0.00 -1.98 -0.07 119.26 117.85 2k4j h ALA 45 Ca 0.41 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 2k4j h ALA 45 Cb 0.30 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2k4j h ALA 45 CO -0.22 -0.63 -0.03 0.93 0.00 0.00 0.00 179.25 179.30 2k4j h GLU 46 N -0.45 0.95 0.14 0.00 3.07 -1.86 -1.58 114.58 114.85 2k4j h GLU 46 Ca -0.03 -0.32 0.01 0.00 -0.50 0.00 0.00 59.36 58.52 2k4j h GLU 46 Cb 0.34 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.13 2k4j h GLU 46 CO 0.06 0.98 -0.47 -0.92 -1.40 0.00 0.00 179.01 177.25 2k4j h TYR 47 N 0.81 -1.37 -0.84 4.33 3.20 -1.03 -1.81 116.97 120.26 2k4j h TYR 47 Ca 0.14 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.17 2k4j h TYR 47 Cb 0.57 0.58 -0.08 0.00 1.54 0.00 0.00 36.73 39.33 2k4j h TYR 47 CO 0.04 -0.54 0.46 0.93 -1.64 0.00 0.00 178.16 177.41 2k4j h GLU 48 N -0.69 0.68 -0.07 1.82 4.39 -0.53 -0.62 114.58 119.56 2k4j h GLU 48 Ca -0.01 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2k4j h GLU 48 Cb 0.69 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2k4j h GLU 48 CO -0.24 0.45 -0.10 -0.84 -1.16 0.00 0.00 179.01 177.12 2k4j h ILE 49 N 0.71 1.40 -0.28 3.13 3.07 -1.22 -1.72 117.51 122.58 2k4j h ILE 49 Ca 0.43 -1.35 -0.18 0.00 1.55 0.00 0.00 64.86 65.32 2k4j h ILE 49 Cb 0.52 2.13 -0.00 0.00 -0.27 0.00 0.00 36.82 39.20 2k4j h ILE 49 CO -0.31 0.37 -0.52 -0.07 -1.05 0.00 0.00 178.15 176.57 2k4j h LEU 50 N -0.27 0.90 -0.48 0.16 -0.00 -1.10 0.13 115.31 114.65 2k4j h LEU 50 Ca 0.01 -0.47 0.06 0.00 -0.00 0.00 0.00 57.88 57.47 2k4j h LEU 50 Cb 0.65 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 41.01 2k4j h LEU 50 CO 0.02 1.25 0.19 0.77 -0.00 0.00 0.00 178.44 180.68 2k4j h SER 51 N 0.63 0.23 -0.62 -0.43 4.64 -1.18 -0.09 113.55 116.74 2k4j h SER 51 Ca 0.02 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 2k4j h SER 51 Cb 1.12 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2k4j h SER 51 CO 0.11 0.17 0.14 0.25 -0.87 0.00 0.00 176.83 176.63 2k4j h LEU 52 N 0.39 0.97 0.17 5.97 6.46 -1.22 -1.23 115.31 126.81 2k4j h LEU 52 Ca 0.22 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2k4j h LEU 52 Cb 0.20 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2k4j h LEU 52 CO -0.20 0.94 -0.09 0.25 -0.62 0.00 0.00 178.44 178.72 2k4j h LEU 53 N 0.97 -0.23 -0.87 2.25 5.85 -0.38 -0.60 115.31 122.30 2k4j h LEU 53 Ca 0.20 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 2k4j h LEU 53 Cb 0.36 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2k4j h LEU 53 CO 0.00 -0.16 0.28 0.40 -0.34 0.00 0.00 178.44 178.63 2k4j h ILE 54 N -0.25 1.25 -0.15 4.05 1.08 -0.99 -1.07 117.51 121.43 2k4j h ILE 54 Ca -0.02 -0.81 -0.13 0.00 -0.39 0.00 0.00 64.86 63.51 2k4j h ILE 54 Cb 0.20 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 2k4j h ILE 54 CO 0.02 0.33 -0.45 0.77 -0.69 0.00 0.00 178.15 178.13 2k4j h SER 55 N 1.08 0.39 0.19 1.72 4.64 -0.94 -3.29 113.55 117.34 2k4j h SER 55 Ca 0.25 -0.18 -0.29 0.00 -0.47 0.00 0.00 61.79 61.09 2k4j h SER 55 Cb 0.23 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2k4j h SER 55 CO -0.02 0.79 -1.36 0.07 -0.87 0.00 0.00 176.83 175.45 2k4j h LYS 56 N 0.30 0.41 0.00 4.77 2.10 -1.06 -3.51 116.57 119.57 2k4j h LYS 56 Ca 0.02 -0.70 0.00 0.00 -2.00 0.00 0.00 60.65 57.97 2k4j h LYS 56 Cb 0.92 0.26 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2k4j h LYS 56 CO 0.08 1.34 0.00 0.36 -2.00 0.00 0.00 179.45 179.22 2k4j n LYS 57 N -3.83 0.00 0.06 0.07 2.85 -0.41 -5.07 118.16 111.82 2k4j n LYS 57 Ca -0.19 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.00 2k4j n LYS 57 Cb 1.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.34 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 -1.16 -0.78 2.58 0.00 -1.75 -3.43 103.07 98.53 2k4j h GLY 58 Ca 0.00 0.55 0.10 0.00 0.00 0.00 0.00 47.33 47.98 2k4j h GLY 58 CO 0.00 -0.37 -0.13 2.98 0.00 0.00 0.00 176.54 179.02 2k4j n TYR 59 N -3.70 -2.37 -3.27 5.60 9.36 -0.75 -4.20 117.16 117.83 2k4j n TYR 59 Ca -0.04 0.44 -0.43 0.00 3.32 0.00 0.00 57.90 61.19 2k4j n TYR 59 Cb 0.18 -0.59 -0.08 0.00 -0.63 0.00 0.00 39.34 38.22 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 -0.54 5.02 -0.47 2.97 1.01 -1.26 -1.50 120.40 125.63 2k4j s VAL 60 Ca 0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 2k4j s VAL 60 Cb 0.00 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.27 2k4j s VAL 60 CO 0.00 -0.54 1.48 0.12 0.00 0.00 0.00 175.10 176.16 2k4j s PHE 61 N 2.28 2.25 0.07 5.22 5.36 0.10 -4.77 117.98 128.49 2k4j s PHE 61 Ca 0.13 0.61 0.09 0.00 -0.96 0.00 0.00 56.93 56.80 2k4j s PHE 61 Cb -0.18 -4.31 -0.03 0.00 -0.34 0.00 0.00 43.02 38.16 2k4j s PHE 61 CO 0.13 -2.10 -0.26 -1.12 -1.46 0.00 0.00 175.22 170.42 2k4j s SER 62 N 4.59 3.13 0.16 6.13 0.01 -1.26 -1.39 113.70 125.07 2k4j s SER 62 Ca 0.60 -0.62 -0.27 0.00 1.31 0.00 0.00 55.95 56.97 2k4j s SER 62 Cb -0.13 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.85 2k4j s SER 62 CO 0.29 0.23 1.57 -0.09 0.41 0.00 0.00 173.24 175.65 2k4j h ARG 63 N 4.58 -0.25 -0.66 12.44 1.12 -1.94 0.10 114.38 129.77 2k4j h ARG 63 Ca -0.47 0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.34 2k4j h ARG 63 Cb 1.15 0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 31.14 2k4j h ARG 63 CO 0.42 -0.17 0.13 0.93 -3.11 0.00 0.00 179.97 178.17 2k4j h GLU 64 N -0.26 1.07 -0.73 0.20 5.08 -1.88 -0.75 114.58 117.32 2k4j h GLU 64 Ca 0.16 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2k4j h GLU 64 Cb 0.57 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2k4j h GLU 64 CO -0.66 0.97 0.44 0.77 -1.00 0.00 0.00 179.01 179.53 2k4j h SER 65 N 1.01 0.87 -0.43 1.42 0.02 -1.59 -0.19 113.55 114.66 2k4j h SER 65 Ca 0.21 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2k4j h SER 65 Cb 0.40 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2k4j h SER 65 CO 0.01 0.67 0.28 0.40 -1.14 0.00 0.00 176.83 177.05 2k4j h ILE 66 N 0.99 1.10 0.00 3.27 1.08 -0.62 0.38 117.51 123.71 2k4j h ILE 66 Ca 0.26 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.53 2k4j h ILE 66 Cb -0.04 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 2k4j h ILE 66 CO -0.05 0.10 -0.02 0.00 -0.69 0.00 0.00 178.15 177.50 2k4j h ALA 67 N 1.16 1.18 0.17 1.87 0.00 -0.62 0.18 119.26 123.21 2k4j h ALA 67 Ca 0.16 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.73 2k4j h ALA 67 Cb -0.06 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2k4j h ALA 67 CO -0.04 0.02 -1.54 0.82 0.00 0.00 0.00 179.25 178.50 2k4j h ILE 68 N 0.00 1.17 0.13 0.00 2.04 -0.48 -3.24 117.51 117.13 2k4j h ILE 68 Ca -0.00 -2.73 -0.33 0.00 1.00 0.00 0.00 64.86 62.80 2k4j h ILE 68 Cb 0.09 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 2k4j h ILE 68 CO 0.00 0.84 -1.73 -0.33 0.00 0.00 0.00 178.15 176.93 2k4j h GLU 69 N 0.10 0.27 0.00 2.37 5.08 0.78 -3.40 114.58 119.77 2k4j h GLU 69 Ca -0.26 -0.45 -0.29 0.00 -1.00 0.00 0.00 59.36 57.36 2k4j h GLU 69 Cb 2.07 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 31.44 2k4j h GLU 69 CO 0.20 1.13 -2.09 -1.13 -1.00 0.00 0.00 179.01 176.12 2k4j n SER 70 N -3.45 2.49 -3.03 1.42 3.41 0.46 -4.58 113.62 110.33 2k4j n SER 70 Ca -0.23 -0.09 -0.21 0.00 -0.26 0.00 0.00 58.87 58.08 2k4j n SER 70 Cb 1.05 -0.31 0.05 0.00 -0.26 0.00 0.00 64.21 64.75 2k4j n SER 70 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2k4j n GLU 71 N -3.08 -5.73 0.11 4.33 2.13 -1.20 -4.91 120.64 112.29 2k4j n GLU 71 Ca -0.34 0.81 0.13 0.00 0.66 0.00 0.00 57.16 58.42 2k4j n GLU 71 Cb 0.86 -5.59 0.43 0.00 0.27 0.00 0.00 31.44 27.42 2k4j n GLU 71 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k4j n SER 72 N -2.38 0.74 -4.45 4.31 2.88 -1.26 -4.84 113.62 108.61 2k4j n SER 72 Ca -0.06 0.59 -0.31 0.00 -1.33 0.00 0.00 58.87 57.76 2k4j n SER 72 Cb 0.59 -0.78 -0.13 0.00 -0.75 0.00 0.00 64.21 63.13 2k4j n SER 72 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2k4j s ILE 73 N -3.14 2.80 -0.03 2.46 -1.09 -1.26 -5.09 121.20 115.84 2k4j s ILE 73 Ca 0.09 -1.02 -0.21 0.00 -2.23 0.00 0.00 60.65 57.28 2k4j s ILE 73 Cb 0.12 -2.13 -0.14 0.00 -1.58 0.00 0.00 42.46 38.72 2k4j s ILE 73 CO 0.54 0.45 0.92 0.78 -1.23 0.00 0.00 174.94 176.40 2k4j h ASN 74 N 4.90 -0.30 -4.26 3.58 2.35 -2.01 -3.45 115.58 116.40 2k4j h ASN 74 Ca -0.47 -0.23 -0.51 0.00 -0.55 0.00 0.00 56.30 54.54 2k4j h ASN 74 Cb 1.15 0.08 0.13 0.00 0.05 0.00 0.00 38.32 39.72 2k4j h ASN 74 CO 0.48 0.18 0.34 -2.16 -1.65 0.00 0.00 177.43 174.62 2k4j s PRO 75 N -3.75 2.38 -0.03 0.81 0.04 -1.26 -5.00 135.00 128.19 2k4j s PRO 75 Ca -0.12 1.32 -0.23 0.00 0.04 0.00 0.00 61.00 62.01 2k4j s PRO 75 Cb 0.01 -1.90 -0.22 0.00 0.04 0.00 0.00 34.50 32.43 2k4j s PRO 75 CO 0.45 -1.57 1.10 1.49 0.04 0.00 0.00 177.00 178.51 2k4j h GLU 76 N -0.67 0.24 0.00 4.56 4.57 -2.00 -3.34 114.58 117.95 2k4j h GLU 76 Ca -0.45 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 57.44 2k4j h GLU 76 Cb 1.24 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 2k4j h GLU 76 CO 0.52 0.90 -0.36 0.77 -1.18 0.00 0.00 179.01 179.66 2k4j h SER 77 N -0.35 0.00 -3.72 1.04 0.02 -1.95 -3.44 113.55 105.15 2k4j h SER 77 Ca -0.03 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 2k4j h SER 77 Cb 0.98 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2k4j h SER 77 CO 0.06 0.36 -0.20 -1.54 -1.14 0.00 0.00 176.83 174.37 2k4j n SER 78 N -3.45 -2.79 0.22 3.07 3.41 -1.26 -4.83 113.62 107.99 2k4j n SER 78 Ca 0.00 0.28 0.16 0.00 -0.26 0.00 0.00 58.87 59.05 2k4j n SER 78 Cb 0.53 -2.49 0.83 0.00 -0.26 0.00 0.00 64.21 62.82 2k4j n SER 78 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2k4j h ASN 79 N 0.00 0.00 0.31 4.04 2.35 -1.94 -0.62 115.58 119.72 2k4j h ASN 79 Ca -0.19 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 2k4j h ASN 79 Cb 1.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.39 2k4j h ASN 79 CO 0.23 0.00 -0.14 0.11 -1.65 0.00 0.00 177.43 175.99 2k4j h LYS 80 N 0.00 0.00 -0.14 0.81 1.57 -1.99 -1.59 116.57 115.23 2k4j h LYS 80 Ca 0.07 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2k4j h LYS 80 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k4j h LYS 80 CO -0.00 0.14 -0.05 1.03 -0.57 0.00 0.00 179.45 179.99 2k4j h SER 81 N 0.00 0.30 -0.37 0.86 0.87 -1.50 -0.36 113.55 113.35 2k4j h SER 81 Ca -0.00 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 2k4j h SER 81 Cb 0.32 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2k4j h SER 81 CO 0.02 0.62 0.21 -0.29 -0.53 0.00 0.00 176.83 176.86 2k4j h ILE 82 N -0.03 1.12 -0.10 2.23 2.10 -1.50 0.17 117.51 121.50 2k4j h ILE 82 Ca 0.03 -0.31 -0.02 0.00 1.08 0.00 0.00 64.86 65.64 2k4j h ILE 82 Cb 0.50 0.60 -0.00 0.00 -1.09 0.00 0.00 36.82 36.83 2k4j h ILE 82 CO 0.02 0.13 -0.03 -0.78 -1.08 0.00 0.00 178.15 176.41 2k4j h ASP 83 N 0.54 0.20 -0.68 2.19 3.58 -1.23 0.78 116.42 121.79 2k4j h ASP 83 Ca 0.14 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 2k4j h ASP 83 Cb 0.01 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 2k4j h ASP 83 CO -0.02 0.54 0.24 1.62 -2.88 0.00 0.00 179.24 178.74 2k4j h VAL 84 N -0.14 1.25 0.32 2.25 3.04 -0.72 -0.80 116.25 121.45 2k4j h VAL 84 Ca 0.02 -0.82 -0.02 0.00 -1.01 0.00 0.00 66.70 64.87 2k4j h VAL 84 Cb 0.46 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2k4j h VAL 84 CO 0.01 0.32 -0.16 0.40 -1.01 0.00 0.00 177.57 177.14 2k4j h ILE 85 N 0.99 0.00 -0.41 3.17 2.04 -0.91 -0.84 117.51 121.55 2k4j h ILE 85 Ca 0.22 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.85 2k4j h ILE 85 Cb 0.26 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2k4j h ILE 85 CO -0.01 0.00 -0.27 0.40 0.00 0.00 0.00 178.15 178.27 2k4j h ILE 86 N -0.54 1.27 -0.05 -0.67 1.08 -0.92 0.89 117.51 118.58 2k4j h ILE 86 Ca -0.04 -1.42 -0.00 0.00 -0.39 0.00 0.00 64.86 63.00 2k4j h ILE 86 Cb 0.33 1.24 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2k4j h ILE 86 CO 0.07 0.48 0.02 1.23 -0.69 0.00 0.00 178.15 179.26 2k4j h GLY 87 N 0.91 0.08 1.69 5.37 0.00 -1.26 -1.60 103.07 108.25 2k4j h GLY 87 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2k4j h GLY 87 CO 0.07 0.04 -0.35 -0.09 0.00 0.00 0.00 176.54 176.21 2k4j h ARG 88 N -0.09 0.00 0.22 4.80 2.43 -0.98 -0.23 114.38 120.54 2k4j h ARG 88 Ca 0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2k4j h ARG 88 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2k4j h ARG 88 CO -0.00 0.04 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.32 2k4j h LEU 89 N 0.00 -0.25 -0.76 3.80 4.07 -0.85 -0.30 115.31 121.02 2k4j h LEU 89 Ca -0.00 -0.01 0.09 0.00 0.08 0.00 0.00 57.88 58.04 2k4j h LEU 89 Cb 1.04 0.07 -0.07 0.00 1.08 0.00 0.00 40.66 42.77 2k4j h LEU 89 CO 0.01 -0.16 0.41 -0.09 -1.08 0.00 0.00 178.44 177.52 2k4j h ARG 90 N -0.33 0.67 -0.05 1.13 2.43 -1.00 -0.21 114.38 117.02 2k4j h ARG 90 Ca -0.03 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2k4j h ARG 90 Cb 0.25 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2k4j h ARG 90 CO 0.05 0.44 0.03 0.77 -1.51 0.00 0.00 179.97 179.75 2k4j h SER 91 N 0.69 0.06 -0.48 -3.80 0.02 -0.98 0.67 113.55 109.74 2k4j h SER 91 Ca 0.37 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2k4j h SER 91 Cb 0.35 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2k4j h SER 91 CO -0.25 0.11 0.29 0.11 -1.14 0.00 0.00 176.83 175.95 2k4j h LYS 92 N 0.01 0.66 -0.00 3.45 1.79 -0.40 -1.47 116.57 120.61 2k4j h LYS 92 Ca 0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2k4j h LYS 92 Cb 0.06 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2k4j h LYS 92 CO -0.00 0.47 -0.30 0.44 -1.08 0.00 0.00 179.45 178.98 2k4j n ILE 93 N -4.43 0.00 -0.02 1.86 -6.64 -0.15 -0.59 119.36 109.39 2k4j n ILE 93 Ca 0.04 -0.01 -0.17 0.00 -1.77 0.00 0.00 62.75 60.84 2k4j n ILE 93 Cb 0.08 -0.03 -0.07 0.00 -1.44 0.00 0.00 39.64 38.19 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 0.06 0.78 0.04 6.28 4.57 -0.31 -3.37 114.58 122.63 2k4j h GLU 94 Ca 0.00 -0.64 -0.00 0.00 -1.18 0.00 0.00 59.36 57.54 2k4j h GLU 94 Cb 0.49 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2k4j h GLU 94 CO 0.00 1.25 -0.02 -0.22 -1.18 0.00 0.00 179.01 178.84 2k4j h LYS 95 N 0.53 -0.05 -7.20 1.92 3.64 -1.18 -3.46 116.57 110.77 2k4j h LYS 95 Ca -0.05 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.82 2k4j h LYS 95 Cb 1.41 0.01 0.09 0.00 -0.41 0.00 0.00 32.23 33.34 2k4j h LYS 95 CO 0.16 0.56 0.38 -0.80 -2.27 0.00 0.00 179.45 177.47 2k4j s ASN 96 N -5.78 5.26 0.35 4.20 0.01 0.24 -4.99 114.94 114.24 2k4j s ASN 96 Ca -0.16 1.97 0.18 0.00 -0.71 0.00 0.00 52.86 54.14 2k4j s ASN 96 Cb 0.00 -2.55 0.54 0.00 0.41 0.00 0.00 41.25 39.66 2k4j s ASN 96 CO 0.63 -1.52 1.67 1.55 -1.51 0.00 0.00 177.10 177.91 2k4j h PRO 97 N 0.14 0.00 -6.32 -0.60 0.13 -1.89 -3.45 132.00 120.02 2k4j h PRO 97 Ca -0.47 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.11 2k4j h PRO 97 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2k4j h PRO 97 CO 0.55 0.40 0.59 0.15 -0.23 0.00 0.00 178.00 179.46 2k4j s LYS 98 N -3.44 4.42 0.14 0.86 -0.14 -1.26 -5.06 119.74 115.26 2k4j s LYS 98 Ca 0.01 1.52 0.05 0.00 -1.36 0.00 0.00 55.97 56.20 2k4j s LYS 98 Cb 0.10 -3.52 -0.04 0.00 -1.68 0.00 0.00 37.83 32.69 2k4j s LYS 98 CO 0.70 -0.32 -0.12 -0.65 -0.76 0.00 0.00 175.35 174.19 2k4j s GLN 99 N 1.87 1.08 0.69 1.68 -0.21 -1.26 -4.69 119.66 118.82 2k4j s GLN 99 Ca 0.52 -1.38 -0.11 0.00 0.02 0.00 0.00 55.36 54.41 2k4j s GLN 99 Cb -0.22 -0.80 0.01 0.00 1.00 0.00 0.00 33.01 33.00 2k4j s GLN 99 CO 0.22 0.13 1.06 -1.25 -2.12 0.00 0.00 175.29 173.32 2k4j s PRO 100 N -3.28 2.96 0.00 2.91 0.04 -1.26 -4.98 135.00 131.39 2k4j s PRO 100 Ca 0.14 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2k4j s PRO 100 Cb -0.01 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2k4j s PRO 100 CO 0.02 -1.08 0.00 0.00 0.04 0.00 0.00 177.00 175.99 2k4j n GLN 101 N -3.11 0.00 -0.05 4.56 10.64 -1.26 -4.96 117.38 123.20 2k4j n GLN 101 Ca 0.07 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.37 2k4j n GLN 101 Cb 0.54 -0.09 0.25 0.00 -0.86 0.00 0.00 30.24 30.07 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 -0.55 0.13 -3.76 2.61 4.01 -1.26 -4.80 117.16 113.53 2k4j n TYR 102 Ca 0.00 -0.07 -0.35 0.00 -0.16 0.00 0.00 57.90 57.32 2k4j n TYR 102 Cb 0.00 0.00 -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 -1.50 -0.46 0.00 0.00 176.86 174.90 2k4j s ILE 103 N -1.87 5.40 -0.02 -0.72 2.07 -1.26 -4.04 121.20 120.76 2k4j s ILE 103 Ca 0.33 0.18 0.06 0.00 -1.41 0.00 0.00 60.65 59.82 2k4j s ILE 103 Cb 0.21 -3.45 -0.01 0.00 0.13 0.00 0.00 42.46 39.33 2k4j s ILE 103 CO 0.31 0.47 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.97 2k4j s ILE 104 N 0.17 1.63 -0.05 2.00 1.09 -0.12 -4.98 121.20 120.94 2k4j s ILE 104 Ca 0.09 -0.88 -0.26 0.00 -1.10 0.00 0.00 60.65 58.51 2k4j s ILE 104 Cb -0.11 -1.36 -0.03 0.00 -1.06 0.00 0.00 42.46 39.89 2k4j s ILE 104 CO -0.01 0.46 0.79 -0.44 -0.10 0.00 0.00 174.94 175.65 2k4j s SER 105 N -0.42 7.11 -0.53 3.58 0.01 -1.26 -0.40 113.70 121.79 2k4j s SER 105 Ca 0.06 1.34 -0.02 0.00 1.31 0.00 0.00 55.95 58.65 2k4j s SER 105 Cb -0.09 -2.46 0.14 0.00 0.21 0.00 0.00 66.02 63.82 2k4j s SER 105 CO -0.00 -0.17 0.32 -0.69 0.41 0.00 0.00 173.24 173.11 2k4j s VAL 106 N 0.89 3.35 0.00 3.43 1.01 0.59 -4.77 120.40 124.90 2k4j s VAL 106 Ca 0.42 -2.70 0.00 0.00 0.00 0.00 0.00 61.98 59.70 2k4j s VAL 106 Cb -0.19 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2k4j s VAL 106 CO 0.21 -0.79 0.00 0.54 0.00 0.00 0.00 175.10 175.06 2k4j n ARG 107 N 3.82 -1.00 -0.98 2.72 5.12 -1.26 -1.51 116.66 123.57 2k4j n ARG 107 Ca 0.04 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 2k4j n ARG 107 Cb 0.38 -4.51 0.00 0.00 -1.16 0.00 0.00 32.46 27.17 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 -0.59 0.60 0.22 -0.13 0.00 -1.26 -4.90 105.19 99.14 2k4j n GLY 108 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.55 0.90 -4.42 -0.61 5.41 -0.57 -5.00 119.36 112.51 2k4j n ILE 109 Ca 0.00 -0.30 -0.24 0.00 1.00 0.00 0.00 62.75 63.21 2k4j n ILE 109 Cb 0.04 -1.28 -0.09 0.00 -0.71 0.00 0.00 39.64 37.59 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 -5.43 1.82 -0.08 7.39 0.00 -0.69 -3.40 107.32 106.93 2k4j s GLY 110 Ca -0.22 -1.81 -0.01 0.00 0.00 0.00 0.00 44.72 42.69 2k4j s GLY 110 CO 0.34 -1.89 -0.01 -0.19 0.00 0.00 0.00 173.10 171.34 2k4j s TYR 111 N -2.43 0.83 -0.20 1.90 1.51 -0.48 -0.30 117.35 118.18 2k4j s TYR 111 Ca 0.30 -0.28 -0.29 0.00 -1.01 0.00 0.00 57.07 55.79 2k4j s TYR 111 Cb -0.06 -0.89 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 2k4j s TYR 111 CO 0.16 -0.36 1.03 0.21 -1.11 0.00 0.00 175.55 175.48 2k4j s LYS 112 N 1.91 4.29 0.21 -0.62 2.20 0.46 -0.72 119.74 127.47 2k4j s LYS 112 Ca 0.05 1.37 0.07 0.00 -0.36 0.00 0.00 55.97 57.09 2k4j s LYS 112 Cb -0.12 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 2k4j s LYS 112 CO -0.06 -0.57 0.12 -1.17 -0.36 0.00 0.00 175.35 173.32 2k4j s LEU 113 N 2.96 3.67 -0.05 5.43 1.98 -0.56 -0.95 118.68 131.17 2k4j s LEU 113 Ca 0.45 -0.26 -0.14 0.00 -2.89 0.00 0.00 54.13 51.29 2k4j s LEU 113 Cb -0.16 -2.25 0.03 0.00 0.66 0.00 0.00 46.19 44.47 2k4j s LEU 113 CO 0.08 0.03 0.31 -0.70 -1.89 0.00 0.00 176.35 174.18 2k4j s GLU 114 N -3.40 0.58 0.00 1.98 2.12 -1.26 -1.81 118.70 116.91 2k4j s GLU 114 Ca 0.31 -0.00 0.21 0.00 0.36 0.00 0.00 54.97 55.85 2k4j s GLU 114 Cb -0.09 0.26 1.26 0.00 0.26 0.00 0.00 34.13 35.83 2k4j s GLU 114 CO 0.23 -0.14 1.64 0.98 -0.54 0.00 0.00 175.26 177.43