#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4j h SER 12 N 0.00 0.00 -5.10 1.61 0.02 -2.11 -3.44 113.55 104.53 2k4j h SER 12 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2k4j h SER 12 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 2k4j h SER 12 CO 0.00 0.11 -0.17 -1.61 -1.14 0.00 0.00 176.83 174.02 2k4j s GLU 13 N -3.70 0.99 0.00 3.45 0.41 -1.26 -5.07 118.70 113.51 2k4j s GLU 13 Ca 0.01 -0.78 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 2k4j s GLU 13 Cb 0.10 0.42 0.00 0.00 -1.78 0.00 0.00 34.13 32.87 2k4j s GLU 13 CO 0.59 -0.36 0.00 -1.91 -0.49 0.00 0.00 175.26 173.08 2k4j n GLU 14 N -0.14 0.00 -0.00 1.61 2.13 -1.26 -5.02 120.64 117.96 2k4j n GLU 14 Ca -0.16 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.61 2k4j n GLU 14 Cb 0.63 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.48 2k4j n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k4j h VAL 15 N 0.88 1.29 -2.25 6.31 2.07 -2.01 -3.38 116.25 119.16 2k4j h VAL 15 Ca 0.00 -1.44 -0.56 0.00 0.82 0.00 0.00 66.70 65.52 2k4j h VAL 15 Cb 0.37 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 2k4j h VAL 15 CO 0.00 0.46 1.05 -0.44 0.02 0.00 0.00 177.57 178.65 2k4j s SER 16 N -6.83 6.21 -0.12 0.57 0.01 -1.26 -5.02 113.70 107.26 2k4j s SER 16 Ca -0.07 -0.65 -0.24 0.00 1.31 0.00 0.00 55.95 56.29 2k4j s SER 16 Cb 0.13 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 2k4j s SER 16 CO 0.81 -1.74 0.75 -1.61 0.41 0.00 0.00 173.24 171.86 2k4j s GLU 17 N 5.41 4.36 0.94 12.44 2.02 -1.26 -4.19 118.70 138.42 2k4j s GLU 17 Ca 0.35 0.92 -0.15 0.00 0.02 0.00 0.00 54.97 56.11 2k4j s GLU 17 Cb -0.08 -3.51 0.17 0.00 0.10 0.00 0.00 34.13 30.81 2k4j s GLU 17 CO 0.11 -0.12 1.25 -1.25 0.02 0.00 0.00 175.26 175.26 2k4j s PRO 18 N 1.45 0.88 -0.10 0.39 0.04 -1.26 -4.58 135.00 131.81 2k4j s PRO 18 Ca 0.37 -0.16 -0.30 0.00 0.04 0.00 0.00 61.00 60.95 2k4j s PRO 18 Cb -0.17 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 32.63 2k4j s PRO 18 CO 0.16 -2.29 0.94 0.20 0.04 0.00 0.00 177.00 176.05 2k4j s GLY 19 N -4.62 -0.35 0.22 0.56 0.00 -0.62 -4.98 107.32 97.53 2k4j s GLY 19 Ca 0.69 1.64 -0.04 0.00 0.00 0.00 0.00 44.72 47.01 2k4j s GLY 19 CO 0.52 0.79 0.47 -0.35 0.00 0.00 0.00 173.10 174.53 2k4j s ASP 20 N -1.58 6.46 -0.42 1.64 -1.08 -1.26 -0.16 116.67 120.27 2k4j s ASP 20 Ca -0.00 0.62 0.09 0.00 -0.52 0.00 0.00 52.55 52.74 2k4j s ASP 20 Cb -0.01 -2.10 0.31 0.00 -1.46 0.00 0.00 42.92 39.66 2k4j s ASP 20 CO -0.01 -0.08 0.83 0.00 0.52 0.00 0.00 175.17 176.43 2k4j n ALA 21 N -0.54 0.81 -0.94 3.66 0.00 0.22 -4.92 120.51 118.80 2k4j n ALA 21 Ca -0.02 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.85 2k4j n ALA 21 Cb 0.53 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.65 0.00 0.21 0.00 3.02 -1.26 -1.75 115.26 116.13 2k4j n ASN 22 Ca 0.17 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.80 2k4j n ASN 22 Cb 0.65 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 40.23 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 0.71 -3.32 2.41 2.04 -1.97 -3.47 117.51 113.92 2k4j h ILE 23 Ca 0.00 -1.27 -0.41 0.00 1.00 0.00 0.00 64.86 64.17 2k4j h ILE 23 Cb 0.00 1.82 -0.14 0.00 -0.74 0.00 0.00 36.82 37.76 2k4j h ILE 23 CO 0.00 0.28 -0.60 0.72 0.00 0.00 0.00 178.15 178.55 2k4j s PHE 24 N -3.67 1.74 -0.01 1.37 -0.71 -0.72 -1.16 117.98 114.83 2k4j s PHE 24 Ca 0.00 -1.09 0.00 0.00 -1.04 0.00 0.00 56.93 54.80 2k4j s PHE 24 Cb 0.11 -1.08 0.01 0.00 -1.21 0.00 0.00 43.02 40.85 2k4j s PHE 24 CO 0.66 -0.19 -0.01 1.03 -1.34 0.00 0.00 175.22 175.37 2k4j s ARG 25 N -3.95 0.13 -0.16 1.99 0.52 -0.08 -0.61 118.95 116.79 2k4j s ARG 25 Ca 0.37 0.00 -0.02 0.00 -0.52 0.00 0.00 55.73 55.56 2k4j s ARG 25 Cb 0.08 -0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.33 2k4j s ARG 25 CO 0.15 -0.03 -0.08 0.08 0.02 0.00 0.00 175.30 175.44 2k4j s VAL 26 N 0.31 3.39 -0.23 3.52 1.01 0.77 -0.63 120.40 128.53 2k4j s VAL 26 Ca -0.03 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2k4j s VAL 26 Cb -0.05 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2k4j s VAL 26 CO -0.01 0.49 0.01 -0.62 0.00 0.00 0.00 175.10 174.97 2k4j s ASP 27 N 0.59 4.66 0.14 3.32 -1.08 -0.60 -1.59 116.67 122.11 2k4j s ASP 27 Ca -0.05 -0.31 0.19 0.00 -0.52 0.00 0.00 52.55 51.85 2k4j s ASP 27 Cb -0.15 -1.82 -0.05 0.00 -1.46 0.00 0.00 42.92 39.44 2k4j s ASP 27 CO 0.03 -0.02 0.99 0.50 0.52 0.00 0.00 175.17 177.18 2k4j h LYS 28 N 8.16 0.00 0.05 4.34 1.63 -1.82 -0.88 116.57 128.05 2k4j h LYS 28 Ca -0.40 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2k4j h LYS 28 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2k4j h LYS 28 CO 0.59 0.21 -0.03 -0.44 -3.45 0.00 0.00 179.45 176.33 2k4j h ASP 29 N 0.00 -0.06 0.86 4.20 3.32 -1.93 -3.27 116.42 119.54 2k4j h ASP 29 Ca -0.09 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.45 2k4j h ASP 29 Cb 1.36 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2k4j h ASP 29 CO 0.03 0.51 -0.23 -1.20 -1.72 0.00 0.00 179.24 176.62 2k4j n SER 30 N -4.85 0.32 -2.48 6.45 7.64 -1.26 -4.98 113.62 114.46 2k4j n SER 30 Ca -0.09 0.21 -0.12 0.00 1.01 0.00 0.00 58.87 59.89 2k4j n SER 30 Cb 0.28 -0.21 0.05 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.63 -4.37 -4.22 1.43 0.63 -0.51 -4.96 116.66 103.02 2k4j n ARG 31 Ca 0.06 0.52 -0.13 0.00 -0.92 0.00 0.00 57.85 57.38 2k4j n ARG 31 Cb 0.36 -4.59 -0.10 0.00 0.45 0.00 0.00 32.46 28.58 2k4j n ARG 31 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2k4j s GLU 32 N -5.14 1.06 -0.08 -0.14 -1.05 -0.45 -4.28 118.70 108.62 2k4j s GLU 32 Ca 0.11 -1.51 -0.03 0.00 -0.15 0.00 0.00 54.97 53.40 2k4j s GLU 32 Cb -0.05 -0.20 0.04 0.00 -0.44 0.00 0.00 34.13 33.48 2k4j s GLU 32 CO 0.45 -0.14 0.15 0.54 0.95 0.00 0.00 175.26 177.22 2k4j s VAL 33 N -3.70 -0.19 -0.22 1.83 0.11 0.07 -1.56 120.40 116.74 2k4j s VAL 33 Ca 0.23 0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 59.53 2k4j s VAL 33 Cb 0.06 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 2k4j s VAL 33 CO 0.03 0.12 -0.01 -0.31 -3.33 0.00 0.00 175.10 171.60 2k4j s TYR 34 N 1.91 2.99 0.28 1.54 1.51 0.20 -1.28 117.35 124.49 2k4j s TYR 34 Ca -0.01 -0.74 -0.07 0.00 -1.01 0.00 0.00 57.07 55.25 2k4j s TYR 34 Cb -0.12 -2.12 -0.06 0.00 -0.11 0.00 0.00 41.96 39.55 2k4j s TYR 34 CO -0.06 -0.45 0.57 -1.64 -1.11 0.00 0.00 175.55 172.86 2k4j s MET 35 N 1.40 3.69 0.56 -0.62 -1.94 -0.12 -0.90 119.30 121.37 2k4j s MET 35 Ca 0.05 0.12 0.31 0.00 -1.71 0.00 0.00 55.69 54.46 2k4j s MET 35 Cb -0.14 -2.63 1.47 0.00 2.01 0.00 0.00 34.83 35.53 2k4j s MET 35 CO -0.01 0.23 1.87 1.25 -0.01 0.00 0.00 175.02 178.35 2k4j h HIS 36 N 1.93 0.00 0.03 -0.03 2.76 -1.51 -1.40 115.15 116.93 2k4j h HIS 36 Ca -0.47 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.46 2k4j h HIS 36 Cb 1.18 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.12 2k4j h HIS 36 CO 0.59 0.00 -1.16 0.93 -1.30 0.00 0.00 177.93 176.99 2k4j h GLU 37 N 0.00 0.07 0.00 5.26 3.07 -1.94 -3.50 114.58 117.55 2k4j h GLU 37 Ca 0.37 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2k4j h GLU 37 Cb 1.61 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.57 2k4j h GLU 37 CO -0.00 1.00 0.00 0.36 -1.40 0.00 0.00 179.01 178.96 2k4j n LYS 38 N -3.36 0.00 -3.51 2.33 2.85 -0.53 -5.08 118.16 110.87 2k4j n LYS 38 Ca -0.05 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.86 2k4j n LYS 38 Cb 0.98 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.30 2k4j n LYS 38 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2k4j s LYS 39 N -1.96 3.85 0.08 -1.58 0.00 -1.26 -0.94 119.74 117.92 2k4j s LYS 39 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 55.97 56.29 2k4j s LYS 39 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 37.83 34.76 2k4j s LYS 39 CO 0.00 0.57 -0.07 -0.51 0.00 0.00 0.00 175.35 175.35 2k4j s LEU 40 N -1.73 2.44 -0.21 2.77 1.43 -0.41 -4.93 118.68 118.05 2k4j s LEU 40 Ca 0.32 -0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 52.35 2k4j s LEU 40 Cb -0.15 -0.08 0.05 0.00 0.03 0.00 0.00 46.19 46.05 2k4j s LEU 40 CO 0.17 -0.40 0.56 -0.62 0.23 0.00 0.00 176.35 176.29 2k4j s ASP 41 N -2.63 -0.58 0.00 2.29 2.15 -1.26 -0.75 116.67 115.88 2k4j s ASP 41 Ca 0.05 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.16 2k4j s ASP 41 Cb 0.01 1.14 0.00 0.00 -0.30 0.00 0.00 42.92 43.77 2k4j s ASP 41 CO -0.04 -0.19 0.00 -0.11 -0.17 0.00 0.00 175.17 174.66 2k4j n LEU 42 N 2.79 0.00 -3.43 -1.34 7.94 -1.26 -4.84 117.00 116.85 2k4j n LEU 42 Ca -0.14 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.64 2k4j n LEU 42 Cb 0.56 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.49 2k4j n LEU 42 CO 0.08 0.00 0.40 -0.89 -1.11 0.00 0.00 177.39 175.87 2k4j s THR 43 N 0.01 0.00 0.22 1.96 2.01 -1.26 -5.04 115.64 113.54 2k4j s THR 43 Ca 0.00 -0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 2k4j s THR 43 Cb 0.00 -1.00 0.26 0.00 0.01 0.00 0.00 72.50 71.77 2k4j s THR 43 CO 0.00 -0.01 1.59 -0.09 -0.69 0.00 0.00 174.62 175.42 2k4j h ARG 44 N 2.08 -0.04 -0.62 4.92 2.43 -1.99 0.61 114.38 121.77 2k4j h ARG 44 Ca -0.33 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.76 2k4j h ARG 44 Cb 1.30 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 2k4j h ARG 44 CO 0.38 -0.03 0.09 0.00 -1.51 0.00 0.00 179.97 178.90 2k4j h ALA 45 N 1.52 0.82 -0.58 2.80 0.00 -1.98 -0.23 119.26 121.61 2k4j h ALA 45 Ca 0.34 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2k4j h ALA 45 Cb 0.57 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2k4j h ALA 45 CO -0.80 0.59 0.11 0.93 0.00 0.00 0.00 179.25 180.08 2k4j h GLU 46 N 0.94 0.92 -0.14 0.00 3.07 -1.58 -1.74 114.58 116.04 2k4j h GLU 46 Ca 0.19 -0.22 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 2k4j h GLU 46 Cb 0.45 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 2k4j h GLU 46 CO 0.01 0.85 -0.06 -0.92 -1.40 0.00 0.00 179.01 177.49 2k4j h TYR 47 N 0.88 -0.13 -0.51 4.33 3.20 -0.60 -1.80 116.97 122.33 2k4j h TYR 47 Ca 0.18 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.16 2k4j h TYR 47 Cb 0.37 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 2k4j h TYR 47 CO 0.02 -0.09 0.09 0.93 -1.64 0.00 0.00 178.16 177.47 2k4j h GLU 48 N -0.04 0.22 -0.29 1.82 4.39 -0.29 0.20 114.58 120.58 2k4j h GLU 48 Ca 0.08 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 2k4j h GLU 48 Cb 0.15 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2k4j h GLU 48 CO -0.17 0.14 -0.11 -0.84 -1.16 0.00 0.00 179.01 176.88 2k4j h ILE 49 N 0.22 1.29 -0.18 3.13 3.07 -1.27 -1.58 117.51 122.18 2k4j h ILE 49 Ca 0.26 -1.18 -0.20 0.00 1.55 0.00 0.00 64.86 65.29 2k4j h ILE 49 Cb 0.36 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 2k4j h ILE 49 CO -0.35 0.37 -0.70 0.25 -1.05 0.00 0.00 178.15 176.68 2k4j h LEU 50 N 0.34 0.87 -0.34 0.16 6.46 -0.99 0.72 115.31 122.54 2k4j h LEU 50 Ca 0.07 -0.54 0.05 0.00 -0.12 0.00 0.00 57.88 57.34 2k4j h LEU 50 Cb 0.61 -0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.20 2k4j h LEU 50 CO 0.04 1.32 -0.51 -1.28 -0.62 0.00 0.00 178.44 177.39 2k4j h SER 51 N 0.54 -1.67 -0.27 1.25 0.87 -1.03 -1.70 113.55 111.53 2k4j h SER 51 Ca -0.03 0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2k4j h SER 51 Cb 1.31 0.69 -0.02 0.00 -0.44 0.00 0.00 62.40 63.94 2k4j h SER 51 CO 0.14 -0.41 0.06 0.25 -0.53 0.00 0.00 176.83 176.34 2k4j h LEU 52 N -0.42 0.50 -0.26 2.23 5.85 -1.06 -1.30 115.31 120.84 2k4j h LEU 52 Ca 0.09 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2k4j h LEU 52 Cb 0.61 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2k4j h LEU 52 CO -0.55 0.53 0.16 0.25 -0.34 0.00 0.00 178.44 178.49 2k4j h LEU 53 N 0.52 0.27 -0.23 2.25 5.85 -0.48 0.50 115.31 123.99 2k4j h LEU 53 Ca 0.12 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2k4j h LEU 53 Cb 0.25 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2k4j h LEU 53 CO 0.00 0.20 -0.17 0.40 -0.34 0.00 0.00 178.44 178.53 2k4j h ILE 54 N 0.33 1.31 -0.09 4.05 2.04 -1.00 -1.03 117.51 123.12 2k4j h ILE 54 Ca 0.10 -1.29 -0.11 0.00 1.00 0.00 0.00 64.86 64.56 2k4j h ILE 54 Cb -0.02 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2k4j h ILE 54 CO -0.04 0.40 -0.45 0.77 0.00 0.00 0.00 178.15 178.83 2k4j h SER 55 N 0.23 0.22 0.27 1.72 4.64 -1.10 -3.29 113.55 116.23 2k4j h SER 55 Ca 0.04 -0.10 -0.34 0.00 -0.47 0.00 0.00 61.79 60.93 2k4j h SER 55 Cb 0.70 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2k4j h SER 55 CO 0.05 0.64 -1.71 0.07 -0.87 0.00 0.00 176.83 175.00 2k4j h LYS 56 N 0.17 0.34 0.00 4.77 2.10 -0.95 -3.51 116.57 119.49 2k4j h LYS 56 Ca 0.01 -0.58 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 2k4j h LYS 56 Cb 0.86 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2k4j h LYS 56 CO 0.07 1.24 0.00 0.36 -2.00 0.00 0.00 179.45 179.11 2k4j n LYS 57 N -3.53 0.00 0.03 0.07 2.85 -0.39 -5.08 118.16 112.10 2k4j n LYS 57 Ca -0.23 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 56.97 2k4j n LYS 57 Cb 1.07 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.40 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 -1.27 0.00 2.58 0.00 -1.74 -3.43 103.07 99.20 2k4j h GLY 58 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.95 2k4j h GLY 58 CO 0.00 -0.40 0.00 2.98 0.00 0.00 0.00 176.54 179.12 2k4j n TYR 59 N -3.71 -1.37 -3.65 5.60 9.36 -0.67 -4.27 117.16 118.45 2k4j n TYR 59 Ca -0.03 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.82 2k4j n TYR 59 Cb 0.16 0.23 -0.11 0.00 -0.63 0.00 0.00 39.34 39.00 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 5.13 -0.70 2.97 1.01 -1.26 -1.38 120.40 126.17 2k4j s VAL 60 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 2k4j s VAL 60 Cb 0.00 -3.42 0.09 0.00 0.00 0.00 0.00 36.38 33.05 2k4j s VAL 60 CO 0.00 0.29 0.93 0.12 0.00 0.00 0.00 175.10 176.44 2k4j s PHE 61 N 1.56 2.85 0.07 5.22 5.36 0.40 -4.90 117.98 128.53 2k4j s PHE 61 Ca 0.07 -0.83 0.07 0.00 -0.96 0.00 0.00 56.93 55.28 2k4j s PHE 61 Cb -0.15 -4.22 -0.04 0.00 -0.34 0.00 0.00 43.02 38.27 2k4j s PHE 61 CO 0.08 -1.53 -0.16 -1.12 -1.46 0.00 0.00 175.22 171.04 2k4j s SER 62 N 3.64 4.01 0.42 6.13 0.01 -1.26 -1.64 113.70 125.01 2k4j s SER 62 Ca 0.22 -0.43 0.16 0.00 1.31 0.00 0.00 55.95 57.21 2k4j s SER 62 Cb -0.16 -0.68 1.06 0.00 0.21 0.00 0.00 66.02 66.45 2k4j s SER 62 CO 0.05 0.22 1.90 0.08 0.41 0.00 0.00 173.24 175.90 2k4j h ARG 63 N 4.15 0.41 0.12 12.44 0.11 -1.84 0.13 114.38 129.89 2k4j h ARG 63 Ca -0.49 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.56 2k4j h ARG 63 Cb 1.16 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2k4j h ARG 63 CO 0.48 0.27 -0.06 0.93 0.10 0.00 0.00 179.97 181.69 2k4j h GLU 64 N 0.42 -0.16 -0.39 0.08 4.39 -1.82 -0.62 114.58 116.47 2k4j h GLU 64 Ca 0.40 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 60.04 2k4j h GLU 64 Cb 0.95 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 2k4j h GLU 64 CO -0.14 0.10 -0.08 0.77 -1.16 0.00 0.00 179.01 178.50 2k4j h SER 65 N -0.41 0.65 -0.59 1.42 0.02 -1.56 -0.95 113.55 112.13 2k4j h SER 65 Ca -0.02 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2k4j h SER 65 Cb 0.33 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 2k4j h SER 65 CO 0.03 0.77 0.36 0.40 -1.14 0.00 0.00 176.83 177.24 2k4j h ILE 66 N 0.62 1.06 -0.60 3.27 1.08 -0.83 -1.02 117.51 121.09 2k4j h ILE 66 Ca 0.11 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 64.31 2k4j h ILE 66 Cb 0.50 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 2k4j h ILE 66 CO 0.03 0.13 0.21 0.00 -0.69 0.00 0.00 178.15 177.83 2k4j h ALA 67 N 1.26 1.25 -0.54 1.87 0.00 -0.63 0.15 119.26 122.63 2k4j h ALA 67 Ca 0.24 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2k4j h ALA 67 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2k4j h ALA 67 CO -0.11 0.54 -0.12 0.82 0.00 0.00 0.00 179.25 180.38 2k4j h ILE 68 N 0.87 1.27 0.00 0.00 2.04 -0.65 -3.17 117.51 117.87 2k4j h ILE 68 Ca 0.20 -1.29 -0.27 0.00 1.00 0.00 0.00 64.86 64.51 2k4j h ILE 68 Cb 0.21 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2k4j h ILE 68 CO -0.01 0.45 -2.02 -0.62 0.00 0.00 0.00 178.15 175.95 2k4j n GLU 69 N -4.14 1.28 -0.03 2.37 -0.58 -0.44 -4.68 120.64 114.43 2k4j n GLU 69 Ca 0.01 0.03 -0.22 0.00 -0.42 0.00 0.00 57.16 56.56 2k4j n GLU 69 Cb 0.41 -1.37 -0.13 0.00 -0.57 0.00 0.00 31.44 29.78 2k4j n GLU 69 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2k4j h SER 70 N 0.00 0.28 -1.29 1.62 4.64 -0.89 -3.43 113.55 114.48 2k4j h SER 70 Ca -0.40 -0.79 -0.37 0.00 -0.47 0.00 0.00 61.79 59.76 2k4j h SER 70 Cb 1.83 -0.09 -0.12 0.00 -0.31 0.00 0.00 62.40 63.71 2k4j h SER 70 CO -0.00 1.66 -0.37 1.21 -0.87 0.00 0.00 176.83 178.46 2k4j n GLU 71 N -3.93 -1.32 -0.30 4.77 2.13 -1.20 -4.86 120.64 115.94 2k4j n GLU 71 Ca -0.29 1.08 0.04 0.00 0.66 0.00 0.00 57.16 58.65 2k4j n GLU 71 Cb 0.88 -5.42 0.16 0.00 0.27 0.00 0.00 31.44 27.34 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 -1.09 2.53 -3.86 4.31 2.88 -1.26 -4.88 113.62 112.25 2k4j n SER 72 Ca -0.19 -2.25 -0.11 0.00 -1.33 0.00 0.00 58.87 54.99 2k4j n SER 72 Cb 0.62 -0.44 -0.10 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.69 0.08 -0.04 2.46 -1.09 -1.26 -5.07 121.20 114.58 2k4j s ILE 73 Ca 0.23 -0.63 -0.21 0.00 -2.23 0.00 0.00 60.65 57.81 2k4j s ILE 73 Cb 0.15 -0.43 -0.15 0.00 -1.58 0.00 0.00 42.46 40.46 2k4j s ILE 73 CO 0.10 -0.34 0.89 -1.13 -1.23 0.00 0.00 174.94 173.22 2k4j h ASN 74 N 4.39 -0.25 -4.02 3.58 -1.24 -2.02 -3.45 115.58 112.56 2k4j h ASN 74 Ca -0.30 -0.27 -0.49 0.00 0.71 0.00 0.00 56.30 55.94 2k4j h ASN 74 Cb 1.19 0.06 0.05 0.00 0.73 0.00 0.00 38.32 40.36 2k4j h ASN 74 CO 0.40 0.26 0.44 -2.16 -1.29 0.00 0.00 177.43 175.08 2k4j s PRO 75 N -3.58 3.77 0.38 6.67 0.04 -1.26 -4.97 135.00 136.05 2k4j s PRO 75 Ca -0.12 1.61 0.26 0.00 0.04 0.00 0.00 61.00 62.79 2k4j s PRO 75 Cb 0.01 -2.30 0.71 0.00 0.04 0.00 0.00 34.50 32.97 2k4j s PRO 75 CO 0.45 -0.50 1.73 1.05 0.04 0.00 0.00 177.00 179.77 2k4j h GLU 76 N 1.88 0.00 0.02 4.56 9.09 -1.98 -3.24 114.58 124.91 2k4j h GLU 76 Ca -0.49 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 58.70 2k4j h GLU 76 Cb 1.24 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.32 2k4j h GLU 76 CO 0.60 0.00 -0.99 0.66 0.05 0.00 0.00 179.01 179.33 2k4j h SER 77 N 0.00 0.13 -0.96 3.06 4.64 -1.93 -3.42 113.55 115.06 2k4j h SER 77 Ca 0.00 -0.12 -0.34 0.00 -0.47 0.00 0.00 61.79 60.86 2k4j h SER 77 Cb 0.78 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 62.71 2k4j h SER 77 CO 0.00 1.04 -0.32 -1.20 -0.87 0.00 0.00 176.83 175.47 2k4j n SER 78 N -3.48 -5.00 0.08 4.97 7.64 -1.22 -4.33 113.62 112.28 2k4j n SER 78 Ca -0.02 0.37 0.06 0.00 1.01 0.00 0.00 58.87 60.28 2k4j n SER 78 Cb 0.90 -3.98 0.50 0.00 -1.01 0.00 0.00 64.21 60.62 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 0.31 0.16 6.43 -1.24 -1.91 0.43 115.58 119.77 2k4j h ASN 79 Ca -0.35 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.66 2k4j h ASN 79 Cb 1.11 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.08 2k4j h ASN 79 CO 0.50 0.23 -0.06 0.29 -1.29 0.00 0.00 177.43 177.09 2k4j n LYS 80 N -4.50 1.05 0.03 6.67 4.01 -1.26 -0.72 118.16 123.45 2k4j n LYS 80 Ca 0.01 -0.41 -0.03 0.00 -0.51 0.00 0.00 58.31 57.37 2k4j n LYS 80 Cb 0.08 -1.49 -0.01 0.00 -0.51 0.00 0.00 35.03 33.09 2k4j n LYS 80 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2k4j h SER 81 N 1.00 -0.16 -0.39 4.39 0.87 -1.39 -3.36 113.55 114.52 2k4j h SER 81 Ca 0.00 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2k4j h SER 81 Cb 0.33 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 2k4j h SER 81 CO 0.00 0.28 0.26 -0.29 -0.53 0.00 0.00 176.83 176.55 2k4j h ILE 82 N -0.98 1.10 -0.94 2.23 2.10 -0.83 0.80 117.51 120.99 2k4j h ILE 82 Ca -0.02 -0.18 -0.00 0.00 1.08 0.00 0.00 64.86 65.74 2k4j h ILE 82 Cb 0.14 0.53 -0.05 0.00 -1.09 0.00 0.00 36.82 36.36 2k4j h ILE 82 CO 0.03 0.09 0.58 0.44 -1.08 0.00 0.00 178.15 178.22 2k4j h ASP 83 N 0.52 1.11 -0.30 2.19 3.32 -1.16 0.19 116.42 122.29 2k4j h ASP 83 Ca 0.14 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 2k4j h ASP 83 Cb -0.05 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 2k4j h ASP 83 CO -0.03 0.84 -0.28 0.58 -1.72 0.00 0.00 179.24 178.63 2k4j h VAL 84 N 1.29 1.30 0.58 -1.35 2.07 -1.05 -1.04 116.25 118.05 2k4j h VAL 84 Ca 0.34 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2k4j h VAL 84 Cb -0.08 1.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2k4j h VAL 84 CO -0.07 0.46 -0.28 0.40 0.02 0.00 0.00 177.57 178.11 2k4j h ILE 85 N 0.47 0.31 -0.17 4.57 1.08 -0.66 -0.39 117.51 122.72 2k4j h ILE 85 Ca 0.05 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2k4j h ILE 85 Cb 0.85 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 2k4j h ILE 85 CO 0.07 0.04 0.11 0.40 -0.69 0.00 0.00 178.15 178.08 2k4j h ILE 86 N -1.00 1.04 -0.58 -0.67 2.04 -0.77 -0.03 117.51 117.53 2k4j h ILE 86 Ca -0.08 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2k4j h ILE 86 Cb 0.66 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2k4j h ILE 86 CO 0.13 0.04 0.29 1.23 0.00 0.00 0.00 178.15 179.84 2k4j h GLY 87 N 0.23 0.89 0.83 5.37 0.00 -1.15 -0.02 103.07 109.22 2k4j h GLY 87 Ca 0.06 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 2k4j h GLY 87 CO -0.02 0.41 -1.31 -2.13 0.00 0.00 0.00 176.54 173.49 2k4j n ARG 88 N -4.55 0.62 0.12 4.80 0.63 -0.16 -1.22 116.66 116.89 2k4j n ARG 88 Ca 0.03 0.11 -0.14 0.00 -0.92 0.00 0.00 57.85 56.94 2k4j n ARG 88 Cb 0.11 -1.77 -0.08 0.00 0.45 0.00 0.00 32.46 31.17 2k4j n ARG 88 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2k4j h LEU 89 N 0.00 -0.21 -0.72 6.15 6.46 -0.99 -1.46 115.31 124.55 2k4j h LEU 89 Ca -0.07 -0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.69 2k4j h LEU 89 Cb 1.23 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 41.15 2k4j h LEU 89 CO 0.02 -0.05 0.38 0.03 -0.62 0.00 0.00 178.44 178.19 2k4j h ARG 90 N -0.36 0.65 -0.58 1.25 3.08 -1.01 -0.75 114.38 116.67 2k4j h ARG 90 Ca -0.03 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 2k4j h ARG 90 Cb 0.28 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2k4j h ARG 90 CO 0.04 0.43 -0.01 0.66 -1.07 0.00 0.00 179.97 180.02 2k4j h SER 91 N 0.67 1.00 -0.33 7.04 4.64 -1.14 0.85 113.55 126.29 2k4j h SER 91 Ca 0.34 -0.28 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 2k4j h SER 91 Cb 0.29 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 2k4j h SER 91 CO -0.23 1.06 0.17 0.11 -0.87 0.00 0.00 176.83 177.07 2k4j h LYS 92 N 0.93 0.35 0.00 4.77 1.79 -0.69 -1.65 116.57 122.07 2k4j h LYS 92 Ca 0.17 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2k4j h LYS 92 Cb 0.55 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2k4j h LYS 92 CO 0.03 0.23 -0.14 0.44 -1.08 0.00 0.00 179.45 178.93 2k4j n ILE 93 N -4.93 0.37 0.10 1.86 -6.64 -0.34 -1.52 119.36 108.25 2k4j n ILE 93 Ca -0.00 -0.19 -0.23 0.00 -1.77 0.00 0.00 62.75 60.56 2k4j n ILE 93 Cb 0.07 -0.43 -0.15 0.00 -1.44 0.00 0.00 39.64 37.68 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 0.44 -0.26 6.28 4.81 -0.75 -3.38 114.58 121.73 2k4j h GLU 94 Ca 0.00 -0.75 -0.15 0.00 -0.13 0.00 0.00 59.36 58.34 2k4j h GLU 94 Cb 0.66 0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 2k4j h GLU 94 CO 0.00 1.36 -0.41 -0.22 -0.73 0.00 0.00 179.01 179.01 2k4j h LYS 95 N -0.08 0.73 -7.25 1.92 3.64 -1.22 -3.46 116.57 110.86 2k4j h LYS 95 Ca -0.21 -0.44 -0.50 0.00 -1.27 0.00 0.00 60.65 58.23 2k4j h LYS 95 Cb 1.94 0.04 0.08 0.00 -0.41 0.00 0.00 32.23 33.88 2k4j h LYS 95 CO 0.22 1.06 0.37 -0.80 -2.27 0.00 0.00 179.45 178.04 2k4j s ASN 96 N -6.69 5.51 0.45 4.20 0.01 -0.58 -4.99 114.94 112.85 2k4j s ASN 96 Ca -0.12 1.76 0.25 0.00 -0.71 0.00 0.00 52.86 54.04 2k4j s ASN 96 Cb 0.09 -2.52 0.80 0.00 0.41 0.00 0.00 41.25 40.03 2k4j s ASN 96 CO 0.85 -1.36 1.77 1.55 -1.51 0.00 0.00 177.10 178.40 2k4j h PRO 97 N -0.09 0.00 -6.76 -0.60 0.13 -1.88 -3.45 132.00 119.34 2k4j h PRO 97 Ca -0.46 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.11 2k4j h PRO 97 Cb 1.22 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.46 2k4j h PRO 97 CO 0.56 0.16 0.48 1.17 -0.23 0.00 0.00 178.00 180.14 2k4j n LYS 98 N -3.23 2.03 -4.37 0.86 0.00 -1.26 -5.05 118.16 107.14 2k4j n LYS 98 Ca 0.01 0.71 -0.18 0.00 0.00 0.00 0.00 58.31 58.85 2k4j n LYS 98 Cb 0.46 -2.32 -0.10 0.00 0.00 0.00 0.00 35.03 33.06 2k4j n LYS 98 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2k4j s GLN 99 N -1.97 1.42 0.58 1.64 -0.21 -1.26 -4.75 119.66 115.11 2k4j s GLN 99 Ca 0.57 -1.73 -0.07 0.00 0.02 0.00 0.00 55.36 54.15 2k4j s GLN 99 Cb -0.55 -0.74 -0.01 0.00 1.00 0.00 0.00 33.01 32.71 2k4j s GLN 99 CO 0.61 -0.09 0.91 -1.25 -2.12 0.00 0.00 175.29 173.35 2k4j s PRO 100 N -3.85 3.13 0.00 2.91 0.04 -1.26 -4.97 135.00 131.01 2k4j s PRO 100 Ca 0.30 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.52 2k4j s PRO 100 Cb 0.06 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2k4j s PRO 100 CO 0.10 -0.61 0.00 0.00 0.04 0.00 0.00 177.00 176.53 2k4j n GLN 101 N -2.58 0.00 -0.32 4.56 10.64 -1.26 -4.96 117.38 123.46 2k4j n GLN 101 Ca 0.04 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.30 2k4j n GLN 101 Cb 0.57 0.00 0.25 0.00 -0.86 0.00 0.00 30.24 30.20 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 -0.93 0.82 -4.49 2.61 4.01 -1.26 -4.83 117.16 113.08 2k4j n TYR 102 Ca 0.00 -0.39 -0.21 0.00 -0.16 0.00 0.00 57.90 57.14 2k4j n TYR 102 Cb 0.00 -0.04 -0.15 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 -1.35 0.92 0.12 -0.72 2.07 -1.26 -3.62 121.20 117.36 2k4j s ILE 103 Ca 0.37 -0.45 0.03 0.00 -1.41 0.00 0.00 60.65 59.20 2k4j s ILE 103 Cb 0.20 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.95 2k4j s ILE 103 CO 0.24 0.28 -0.09 -0.51 -1.91 0.00 0.00 174.94 172.95 2k4j s ILE 104 N 0.05 0.96 0.39 2.00 2.07 -0.31 -4.98 121.20 121.37 2k4j s ILE 104 Ca -0.01 -1.90 -0.24 0.00 -1.41 0.00 0.00 60.65 57.09 2k4j s ILE 104 Cb -0.08 -1.65 -0.10 0.00 0.13 0.00 0.00 42.46 40.76 2k4j s ILE 104 CO 0.00 -0.73 0.98 -0.55 -1.91 0.00 0.00 174.94 172.73 2k4j s SER 105 N -2.92 7.00 -0.63 4.50 0.15 -1.26 -0.16 113.70 120.39 2k4j s SER 105 Ca 0.12 1.85 0.05 0.00 0.70 0.00 0.00 55.95 58.66 2k4j s SER 105 Cb 0.02 -2.57 0.16 0.00 -1.71 0.00 0.00 66.02 61.92 2k4j s SER 105 CO -0.01 -0.31 0.42 -0.69 1.20 0.00 0.00 173.24 173.84 2k4j s VAL 106 N -1.83 2.58 0.00 4.45 1.01 0.77 -4.73 120.40 122.65 2k4j s VAL 106 Ca 0.57 -3.87 0.00 0.00 0.00 0.00 0.00 61.98 58.68 2k4j s VAL 106 Cb -0.16 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2k4j s VAL 106 CO 0.21 -0.97 0.00 0.54 0.00 0.00 0.00 175.10 174.88 2k4j n ARG 107 N 2.36 -0.71 -0.91 2.72 1.74 -1.26 -1.37 116.66 119.23 2k4j n ARG 107 Ca 0.16 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 2k4j n ARG 107 Cb 0.35 -4.19 0.00 0.00 -1.02 0.00 0.00 32.46 27.60 2k4j n ARG 107 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4j n GLY 108 N -1.07 0.76 0.12 -0.13 0.00 -1.26 -4.88 105.19 98.73 2k4j n GLY 108 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.83 -4.35 -0.61 2.04 -1.62 -3.48 117.51 110.32 2k4j h ILE 109 Ca 0.00 -2.54 -0.38 0.00 1.00 0.00 0.00 64.86 62.94 2k4j h ILE 109 Cb 0.02 2.59 -0.10 0.00 -0.74 0.00 0.00 36.82 38.58 2k4j h ILE 109 CO 0.00 0.80 -0.35 0.61 0.00 0.00 0.00 178.15 179.20 2k4j n GLY 110 N 1.82 2.89 3.24 5.37 0.00 -0.73 -2.95 105.19 114.82 2k4j n GLY 110 Ca -0.24 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 2k4j n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k4j s TYR 111 N -3.18 1.90 -0.15 1.61 1.51 -0.65 -0.16 117.35 118.23 2k4j s TYR 111 Ca 0.33 -0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 55.90 2k4j s TYR 111 Cb 0.01 -1.21 -0.05 0.00 -0.11 0.00 0.00 41.96 40.61 2k4j s TYR 111 CO 0.23 -0.01 0.27 0.21 -1.11 0.00 0.00 175.55 175.15 2k4j s LYS 112 N -0.63 4.14 0.20 -0.62 2.36 0.78 -0.46 119.74 125.51 2k4j s LYS 112 Ca 0.08 0.07 0.07 0.00 -2.55 0.00 0.00 55.97 53.65 2k4j s LYS 112 Cb -0.08 -3.38 -0.05 0.00 -1.05 0.00 0.00 37.83 33.27 2k4j s LYS 112 CO -0.00 0.34 -0.14 -1.17 1.55 0.00 0.00 175.35 175.92 2k4j s LEU 113 N 0.17 2.54 -0.01 5.43 0.20 -0.48 -1.17 118.68 125.37 2k4j s LEU 113 Ca 0.16 -1.00 -0.17 0.00 0.69 0.00 0.00 54.13 53.80 2k4j s LEU 113 Cb -0.13 -0.65 0.03 0.00 -0.43 0.00 0.00 46.19 45.01 2k4j s LEU 113 CO 0.04 -0.18 0.38 -0.70 -0.29 0.00 0.00 176.35 175.60 2k4j s GLU 114 N -3.58 0.77 0.00 1.98 2.12 -1.24 -1.67 118.70 117.08 2k4j s GLU 114 Ca 0.21 -0.18 0.17 0.00 0.36 0.00 0.00 54.97 55.54 2k4j s GLU 114 Cb -0.01 0.34 1.04 0.00 0.26 0.00 0.00 34.13 35.76 2k4j s GLU 114 CO 0.06 -0.23 1.44 2.48 -0.54 0.00 0.00 175.26 178.47