#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j28 s LYS 2 N 0.00 0.67 -0.33 0.00 0.00 -1.26 -5.14 119.74 113.69 2j28 s LYS 2 Ca 0.00 1.29 -0.01 0.00 0.00 0.00 0.00 55.97 57.25 2j28 s LYS 2 Cb 0.00 0.33 0.13 0.00 0.00 0.00 0.00 37.83 38.29 2j28 s LYS 2 CO 0.00 -0.16 0.23 0.15 0.00 0.00 0.00 175.35 175.57 2j28 s LYS 3 N 1.97 0.42 0.10 1.78 3.01 -1.26 -5.17 119.74 120.58 2j28 s LYS 3 Ca -0.09 -0.82 0.06 0.00 -1.01 0.00 0.00 55.97 54.11 2j28 s LYS 3 Cb -0.07 -1.05 -0.04 0.00 -1.01 0.00 0.00 37.83 35.66 2j28 s LYS 3 CO -0.20 -1.12 -0.04 0.54 0.51 0.00 0.00 175.35 175.04 2j28 s VAL 4 N 1.65 3.75 0.96 3.17 0.11 -1.26 -5.17 120.40 123.61 2j28 s VAL 4 Ca 0.14 -1.10 -0.11 0.00 -2.93 0.00 0.00 61.98 57.98 2j28 s VAL 4 Cb -0.18 -2.78 0.17 0.00 -1.53 0.00 0.00 36.38 32.06 2j28 s VAL 4 CO -0.17 0.12 1.12 -1.10 -3.33 0.00 0.00 175.10 171.74 2j28 s GLN 5 N -2.27 0.69 0.00 1.54 -0.21 -1.26 -4.88 119.66 113.27 2j28 s GLN 5 Ca 0.24 1.41 0.00 0.00 0.02 0.00 0.00 55.36 57.03 2j28 s GLN 5 Cb -0.11 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.20 2j28 s GLN 5 CO 0.16 -2.81 0.00 0.00 -2.12 0.00 0.00 175.29 170.52 2j28 n ALA 6 N -4.35 -1.22 -2.67 6.09 0.00 -1.26 -5.01 120.51 112.10 2j28 n ALA 6 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 2j28 n ALA 6 Cb 0.52 -0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.75 2j28 n ALA 6 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2j28 n TYR 7 N 1.17 -2.71 -3.54 0.00 4.19 -1.25 -4.95 117.16 110.08 2j28 n TYR 7 Ca 0.00 1.07 -0.27 0.00 3.31 0.00 0.00 57.90 62.01 2j28 n TYR 7 Cb 0.00 -3.63 -0.03 0.00 0.49 0.00 0.00 39.34 36.17 2j28 n TYR 7 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2j28 s VAL 8 N -2.56 5.13 0.04 2.97 -7.23 0.20 -4.93 120.40 114.02 2j28 s VAL 8 Ca 0.13 -0.27 0.06 0.00 -1.81 0.00 0.00 61.98 60.08 2j28 s VAL 8 Cb -0.04 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.12 2j28 s VAL 8 CO 0.62 -0.29 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.42 2j28 s LYS 9 N -3.59 1.07 -0.19 4.82 1.02 -1.26 -0.26 119.74 121.35 2j28 s LYS 9 Ca 0.40 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 2j28 s LYS 9 Cb -0.11 -1.12 0.12 0.00 -0.52 0.00 0.00 37.83 36.20 2j28 s LYS 9 CO 0.31 0.28 0.97 -0.48 -0.92 0.00 0.00 175.35 175.51 2j28 s LEU 10 N -1.20 -0.43 -0.42 3.17 0.05 -0.72 -4.99 118.68 114.14 2j28 s LEU 10 Ca 0.03 0.58 -0.11 0.00 0.05 0.00 0.00 54.13 54.69 2j28 s LEU 10 Cb -0.08 1.94 0.07 0.00 -2.05 0.00 0.00 46.19 46.07 2j28 s LEU 10 CO 0.02 -0.31 0.28 -1.10 -0.55 0.00 0.00 176.35 174.69 2j28 s GLN 11 N -0.71 2.71 0.13 1.48 -0.21 -1.26 -0.27 119.66 121.53 2j28 s GLN 11 Ca -0.01 -1.38 0.08 0.00 0.02 0.00 0.00 55.36 54.06 2j28 s GLN 11 Cb -0.02 -3.85 -0.04 0.00 1.00 0.00 0.00 33.01 30.10 2j28 s GLN 11 CO 0.00 -0.93 -0.11 0.54 -2.12 0.00 0.00 175.29 172.67 2j28 s VAL 12 N 1.49 3.24 0.95 1.09 0.11 -1.15 -4.89 120.40 121.25 2j28 s VAL 12 Ca 0.03 -1.43 -0.12 0.00 -2.93 0.00 0.00 61.98 57.53 2j28 s VAL 12 Cb -0.23 -2.54 0.05 0.00 -1.53 0.00 0.00 36.38 32.13 2j28 s VAL 12 CO 0.04 0.04 0.49 0.00 -3.33 0.00 0.00 175.10 172.34 2j28 n ALA 13 N 0.50 -2.43 -0.59 1.54 0.00 -1.26 -1.91 120.51 116.36 2j28 n ALA 13 Ca -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2j28 n ALA 13 Cb 0.53 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2j28 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j28 n ALA 14 N -3.71 -0.16 -3.17 0.00 0.00 -1.15 -4.10 120.51 108.21 2j28 n ALA 14 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 2j28 n ALA 14 Cb 0.54 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 2j28 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j28 n GLY 15 N -0.77 4.95 3.64 0.00 0.00 -1.26 -4.56 105.19 107.19 2j28 n GLY 15 Ca 0.00 -2.68 -0.07 0.00 0.00 0.00 0.00 46.02 43.26 2j28 n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2j28 s MET 16 N -2.52 0.37 0.01 1.61 -2.45 -1.26 -5.03 119.30 110.04 2j28 s MET 16 Ca 0.33 0.42 -0.29 0.00 -1.25 0.00 0.00 55.69 54.89 2j28 s MET 16 Cb 0.05 0.18 0.11 0.00 1.25 0.00 0.00 34.83 36.42 2j28 s MET 16 CO 0.05 -0.05 1.23 0.00 1.05 0.00 0.00 175.02 177.30 2j28 s ALA 17 N 0.09 -2.14 0.00 4.11 0.00 -1.26 -4.45 121.76 118.11 2j28 s ALA 17 Ca 0.04 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2j28 s ALA 17 Cb -0.05 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2j28 s ALA 17 CO -0.09 -1.05 0.00 -1.71 0.00 0.00 0.00 175.76 172.91 2j28 n ASN 18 N -0.49 0.00 -4.74 0.00 2.85 -1.26 -5.00 115.26 106.62 2j28 n ASN 18 Ca -0.08 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.00 2j28 n ASN 18 Cb 0.62 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.68 2j28 n ASN 18 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2j28 n PRO 19 N -2.00 1.73 0.32 1.20 -0.02 -1.26 -4.51 135.00 130.46 2j28 n PRO 19 Ca 0.00 0.63 -0.15 0.00 -2.02 0.00 0.00 63.50 61.96 2j28 n PRO 19 Cb 0.00 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 30.86 2j28 n PRO 19 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2j28 h SER 20 N 1.52 -0.71 -0.01 2.55 0.87 -1.98 -1.25 113.55 114.55 2j28 h SER 20 Ca -0.50 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.06 2j28 h SER 20 Cb 1.30 0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 63.40 2j28 h SER 20 CO 0.57 -0.36 -0.25 -0.65 -0.53 0.00 0.00 176.83 175.61 2j28 h PRO 21 N -1.07 -0.37 0.06 2.24 0.11 -1.99 -3.12 132.00 127.85 2j28 h PRO 21 Ca -0.09 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2j28 h PRO 21 Cb 0.69 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2j28 h PRO 21 CO 0.14 -0.25 -0.03 -1.35 -0.21 0.00 0.00 178.00 176.30 2j28 h PRO 22 N -0.39 -0.07 0.00 1.05 0.11 -1.97 -3.46 132.00 127.27 2j28 h PRO 22 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2j28 h PRO 22 Cb 0.48 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2j28 h PRO 22 CO -0.23 0.18 0.00 0.28 -0.21 0.00 0.00 178.00 178.02 2j28 n VAL 23 N -5.01 0.00 0.00 3.15 0.31 -0.49 -4.82 118.33 111.47 2j28 n VAL 23 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2j28 n VAL 23 Cb 0.16 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 2j28 n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j28 n GLY 24 N 5.00 1.60 0.54 2.92 0.00 -1.10 -1.91 105.19 112.24 2j28 n GLY 24 Ca 0.00 0.60 0.36 0.00 0.00 0.00 0.00 46.02 46.98 2j28 n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2j28 h PRO 25 N 0.00 0.00 0.00 1.61 0.11 -1.88 0.54 132.00 132.37 2j28 h PRO 25 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2j28 h PRO 25 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2j28 h PRO 25 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 2j28 n ALA 26 N -2.71 -0.29 0.17 -0.75 0.00 -0.81 -2.45 120.51 113.67 2j28 n ALA 26 Ca 0.26 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.79 2j28 n ALA 26 Cb 1.31 0.15 0.09 0.00 0.00 0.00 0.00 19.45 21.00 2j28 n ALA 26 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2j28 h LEU 27 N 0.00 0.00 -1.63 0.00 -0.00 -1.79 -3.31 115.31 108.58 2j28 h LEU 27 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 58.06 2j28 h LEU 27 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.61 2j28 h LEU 27 CO 0.00 0.14 0.55 1.23 -0.00 0.00 0.00 178.44 180.36 2j28 h GLY 28 N 3.88 0.63 0.97 0.17 0.00 0.11 0.33 103.07 109.18 2j28 h GLY 28 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 2j28 h GLY 28 CO 0.02 0.02 0.19 1.46 0.00 0.00 0.00 176.54 178.22 2j28 h GLN 29 N 0.33 0.78 -0.06 4.80 4.20 -1.56 -2.90 115.11 120.70 2j28 h GLN 29 Ca 0.41 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.98 2j28 h GLN 29 Cb 1.10 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 2j28 h GLN 29 CO -0.12 0.71 0.05 1.96 -0.67 0.00 0.00 178.83 180.76 2j28 h GLN 30 N 0.70 0.00 0.00 1.46 1.08 -1.14 -3.45 115.11 113.76 2j28 h GLN 30 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2j28 h GLN 30 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2j28 h GLN 30 CO -0.01 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.28 2j28 n GLY 31 N -1.45 1.47 3.78 3.46 0.00 -1.10 -4.94 105.19 106.42 2j28 n GLY 31 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2j28 n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j28 s VAL 32 N -2.00 3.47 -0.53 1.61 1.01 -1.18 -4.80 120.40 117.97 2j28 s VAL 32 Ca 0.00 0.68 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 2j28 s VAL 32 Cb 0.00 -3.21 0.12 0.00 0.00 0.00 0.00 36.38 33.29 2j28 s VAL 32 CO 0.00 -0.43 0.50 0.20 0.00 0.00 0.00 175.10 175.37 2j28 s ASN 33 N -2.70 6.18 0.06 3.32 0.02 -1.26 -4.69 114.94 115.87 2j28 s ASN 33 Ca 0.65 -1.70 -0.13 0.00 -1.02 0.00 0.00 52.86 50.66 2j28 s ASN 33 Cb -0.19 -2.21 -0.04 0.00 0.02 0.00 0.00 41.25 38.83 2j28 s ASN 33 CO 0.40 -0.85 1.22 0.40 0.02 0.00 0.00 177.10 178.29 2j28 h ILE 34 N 5.87 0.00 -0.35 0.60 1.08 -1.94 -2.52 117.51 120.26 2j28 h ILE 34 Ca -0.30 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.24 2j28 h ILE 34 Cb 1.10 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.77 2j28 h ILE 34 CO 1.02 0.00 -0.43 -0.03 -0.69 0.00 0.00 178.15 178.02 2j28 h MET 35 N -0.09 -0.35 -0.50 2.37 4.05 -1.98 -0.13 114.93 118.31 2j28 h MET 35 Ca 0.04 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.59 2j28 h MET 35 Cb 0.20 0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 30.99 2j28 h MET 35 CO -0.30 -0.23 -0.06 1.49 0.23 0.00 0.00 176.91 178.03 2j28 h GLU 36 N -0.36 0.05 -0.49 0.39 4.81 -1.97 -1.70 114.58 115.31 2j28 h GLU 36 Ca 0.12 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2j28 h GLU 36 Cb 0.59 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2j28 h GLU 36 CO -0.54 0.03 0.15 0.35 -0.73 0.00 0.00 179.01 178.27 2j28 h PHE 37 N 0.05 0.80 0.08 0.92 3.57 -0.97 0.24 116.94 121.62 2j28 h PHE 37 Ca 0.25 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.68 2j28 h PHE 37 Cb 0.38 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 2j28 h PHE 37 CO -0.37 0.70 -0.48 0.00 -2.23 0.00 0.00 178.31 175.93 2j28 h LYS 39 N -0.68 0.79 0.04 0.00 1.79 -1.34 -2.40 116.57 114.77 2j28 h LYS 39 Ca 0.02 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2j28 h LYS 39 Cb 0.71 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2j28 h LYS 39 CO -0.30 0.79 -0.03 0.00 -1.08 0.00 0.00 179.45 178.83 2j28 h ALA 40 N 0.97 -0.07 0.92 3.86 0.00 -0.01 -1.87 119.26 123.07 2j28 h ALA 40 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2j28 h ALA 40 Cb 0.36 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2j28 h ALA 40 CO 0.01 -0.54 -0.46 0.35 0.00 0.00 0.00 179.25 178.61 2j28 h PHE 41 N -0.08 -1.19 0.00 0.00 3.57 0.13 -2.78 116.94 116.59 2j28 h PHE 41 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2j28 h PHE 41 Cb 0.07 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2j28 h PHE 41 CO -0.09 -0.73 0.05 -0.91 -2.23 0.00 0.00 178.31 174.40 2j28 h ASN 42 N -1.25 0.00 0.74 0.41 2.35 -1.45 -1.91 115.58 114.46 2j28 h ASN 42 Ca -0.13 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 2j28 h ASN 42 Cb 0.97 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.34 2j28 h ASN 42 CO 0.20 0.00 -0.36 0.00 -1.65 0.00 0.00 177.43 175.62 2j28 h ALA 43 N 1.88 -1.06 -0.12 -0.83 0.00 -1.04 -3.00 119.26 115.10 2j28 h ALA 43 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2j28 h ALA 43 Cb 0.10 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2j28 h ALA 43 CO 0.00 -0.99 -0.42 0.87 0.00 0.00 0.00 179.25 178.71 2j28 h LYS 44 N -1.19 0.27 0.00 0.00 1.57 -1.55 -2.78 116.57 112.89 2j28 h LYS 44 Ca -0.10 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2j28 h LYS 44 Cb 0.76 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2j28 h LYS 44 CO 0.17 0.65 0.00 0.25 -0.57 0.00 0.00 179.45 179.95 2j28 n THR 45 N -4.02 1.50 0.10 -0.16 -2.24 -0.74 -1.29 114.28 107.43 2j28 n THR 45 Ca -0.02 0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 62.25 2j28 n THR 45 Cb 0.49 -1.61 -0.08 0.00 -2.10 0.00 0.00 70.33 67.02 2j28 n THR 45 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2j28 h ASP 46 N 0.00 -0.23 -0.03 3.42 3.32 -1.34 -3.19 116.42 118.36 2j28 h ASP 46 Ca 0.00 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 2j28 h ASP 46 Cb 0.01 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2j28 h ASP 46 CO 0.00 0.16 0.02 0.28 -1.72 0.00 0.00 179.24 177.99 2j28 h SER 47 N -0.67 0.04 -4.16 6.45 0.02 -1.38 -3.40 113.55 110.45 2j28 h SER 47 Ca -0.03 -0.05 -0.54 0.00 -0.84 0.00 0.00 61.79 60.33 2j28 h SER 47 Cb 0.47 -0.01 0.15 0.00 0.14 0.00 0.00 62.40 63.16 2j28 h SER 47 CO 0.05 0.08 0.42 -0.51 -1.14 0.00 0.00 176.83 175.72 2j28 s ILE 48 N -5.99 2.32 -0.24 3.27 2.07 -0.82 -4.78 121.20 117.04 2j28 s ILE 48 Ca -0.13 0.17 -0.41 0.00 -1.41 0.00 0.00 60.65 58.86 2j28 s ILE 48 Cb 0.06 -2.80 -0.18 0.00 0.13 0.00 0.00 42.46 39.67 2j28 s ILE 48 CO 0.67 -0.08 1.54 -0.62 -1.91 0.00 0.00 174.94 174.54 2j28 n GLU 49 N -2.51 0.66 -3.15 3.50 -0.58 -1.26 -4.78 120.64 112.51 2j28 n GLU 49 Ca 0.14 0.24 -0.35 0.00 -0.42 0.00 0.00 57.16 56.77 2j28 n GLU 49 Cb 0.50 -1.84 -0.06 0.00 -0.57 0.00 0.00 31.44 29.47 2j28 n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2j28 s LYS 50 N 2.35 4.15 0.00 3.49 1.02 -1.26 -3.59 119.74 125.90 2j28 s LYS 50 Ca 0.97 0.76 0.00 0.00 0.02 0.00 0.00 55.97 57.72 2j28 s LYS 50 Cb -1.20 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.32 2j28 s LYS 50 CO 0.66 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.86 2j28 n GLY 51 N 0.50 1.11 3.35 -3.33 0.00 -1.26 -5.00 105.19 100.56 2j28 n GLY 51 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2j28 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j28 s LEU 52 N 0.00 3.00 0.03 0.99 1.43 -1.24 -4.90 118.68 118.00 2j28 s LEU 52 Ca 0.00 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 2j28 s LEU 52 Cb 0.00 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 2j28 s LEU 52 CO 0.00 0.01 1.79 -2.16 0.23 0.00 0.00 176.35 176.22 2j28 s PRO 53 N 1.30 4.16 -0.15 1.29 0.04 -1.26 -2.93 135.00 137.45 2j28 s PRO 53 Ca 0.04 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2j28 s PRO 53 Cb -0.14 -3.90 0.02 0.00 0.04 0.00 0.00 34.50 30.52 2j28 s PRO 53 CO -0.01 -0.86 -0.15 -1.50 0.04 0.00 0.00 177.00 174.53 2j28 s ILE 54 N 3.66 1.60 0.18 0.56 -1.16 -0.80 -4.32 121.20 120.91 2j28 s ILE 54 Ca 0.80 -0.65 -0.30 0.00 -0.51 0.00 0.00 60.65 59.99 2j28 s ILE 54 Cb -0.40 -1.50 -0.08 0.00 0.61 0.00 0.00 42.46 41.09 2j28 s ILE 54 CO 0.35 0.46 1.23 -2.16 -2.81 0.00 0.00 174.94 172.02 2j28 s PRO 55 N 1.47 4.46 0.00 3.50 0.04 -1.26 -2.92 135.00 140.30 2j28 s PRO 55 Ca 0.05 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.05 2j28 s PRO 55 Cb -0.13 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 2j28 s PRO 55 CO -0.11 -0.15 -0.14 0.54 0.04 0.00 0.00 177.00 177.19 2j28 s VAL 56 N 0.10 1.07 -0.34 -0.36 0.11 0.62 -3.10 120.40 118.50 2j28 s VAL 56 Ca 0.54 -0.70 -0.05 0.00 -2.93 0.00 0.00 61.98 58.84 2j28 s VAL 56 Cb -0.33 -0.92 0.05 0.00 -1.53 0.00 0.00 36.38 33.65 2j28 s VAL 56 CO 0.36 0.21 0.09 -0.69 -3.33 0.00 0.00 175.10 171.74 2j28 s VAL 57 N -0.48 3.61 -0.02 2.04 1.01 -1.11 -1.75 120.40 123.70 2j28 s VAL 57 Ca 0.04 -1.23 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 2j28 s VAL 57 Cb -0.06 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2j28 s VAL 57 CO 0.00 -0.20 0.53 -0.63 0.00 0.00 0.00 175.10 174.80 2j28 s ILE 58 N 1.36 4.97 -0.17 2.22 1.01 0.64 -2.82 121.20 128.43 2j28 s ILE 58 Ca -0.02 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2j28 s ILE 58 Cb -0.20 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.44 2j28 s ILE 58 CO 0.02 0.44 -0.12 0.28 0.00 0.00 0.00 174.94 175.56 2j28 s THR 59 N -0.27 1.57 0.19 2.92 -1.32 0.04 0.61 115.64 119.37 2j28 s THR 59 Ca 0.28 -0.75 -0.02 0.00 -1.21 0.00 0.00 61.69 59.99 2j28 s THR 59 Cb -0.17 -1.54 -0.05 0.00 -1.51 0.00 0.00 72.50 69.23 2j28 s THR 59 CO 0.15 0.35 0.39 -0.69 -2.21 0.00 0.00 174.62 172.61 2j28 s VAL 60 N 1.47 5.19 0.53 5.08 1.01 -1.26 -2.03 120.40 130.39 2j28 s VAL 60 Ca 0.03 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2j28 s VAL 60 Cb -0.14 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2j28 s VAL 60 CO -0.10 -0.11 0.33 -0.31 0.00 0.00 0.00 175.10 174.91 2j28 s TYR 61 N -1.81 1.72 0.50 5.22 2.02 0.17 -4.59 117.35 120.58 2j28 s TYR 61 Ca 0.39 -0.85 0.16 0.00 -0.37 0.00 0.00 57.07 56.40 2j28 s TYR 61 Cb -0.11 -1.87 1.21 0.00 -0.40 0.00 0.00 41.96 40.79 2j28 s TYR 61 CO 0.28 -0.33 2.12 0.00 -1.57 0.00 0.00 175.55 176.05 2j28 h ALA 62 N 0.88 1.94 -0.01 3.71 0.00 -2.00 0.52 119.26 124.30 2j28 h ALA 62 Ca -0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2j28 h ALA 62 Cb 1.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2j28 h ALA 62 CO 0.60 0.05 0.03 0.22 0.00 0.00 0.00 179.25 180.15 2j28 h ASP 63 N 0.00 0.00 0.00 0.00 1.82 -2.01 -3.44 116.42 112.79 2j28 h ASP 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2j28 h ASP 63 Cb 0.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.08 2j28 h ASP 63 CO 0.01 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.18 2j28 n ARG 64 N -3.51 0.00 -1.46 0.28 1.74 0.18 -5.00 116.66 108.89 2j28 n ARG 64 Ca -0.03 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 2j28 n ARG 64 Cb 0.10 -1.87 0.17 0.00 -1.02 0.00 0.00 32.46 29.84 2j28 n ARG 64 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2j28 s SER 65 N -3.30 2.86 0.15 0.55 0.15 -1.26 -4.53 113.70 108.33 2j28 s SER 65 Ca 0.00 0.83 -0.24 0.00 0.70 0.00 0.00 55.95 57.24 2j28 s SER 65 Cb 0.00 -1.28 0.06 0.00 -1.71 0.00 0.00 66.02 63.10 2j28 s SER 65 CO 0.00 -2.94 0.77 0.72 1.20 0.00 0.00 173.24 172.99 2j28 s PHE 66 N -3.28 -0.32 0.20 3.44 -0.71 -1.26 -0.65 117.98 115.40 2j28 s PHE 66 Ca 0.67 0.04 -0.00 0.00 -1.04 0.00 0.00 56.93 56.59 2j28 s PHE 66 Cb -0.13 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 2j28 s PHE 66 CO 0.54 -0.88 0.10 0.95 -1.34 0.00 0.00 175.22 174.60 2j28 s THR 67 N -3.55 0.16 -0.13 -4.49 -4.23 -0.86 -4.98 115.64 97.56 2j28 s THR 67 Ca 0.07 -1.98 -0.26 0.00 -1.18 0.00 0.00 61.69 58.34 2j28 s THR 67 Cb -0.02 -2.43 0.06 0.00 1.34 0.00 0.00 72.50 71.45 2j28 s THR 67 CO -0.04 -0.11 0.63 0.72 -0.54 0.00 0.00 174.62 175.28 2j28 s PHE 68 N -4.04 -0.63 -0.16 3.99 -0.71 -1.26 -0.78 117.98 114.39 2j28 s PHE 68 Ca 0.35 1.28 -0.05 0.00 -1.04 0.00 0.00 56.93 57.48 2j28 s PHE 68 Cb 0.07 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 2j28 s PHE 68 CO 0.10 -0.48 -0.01 0.14 -1.34 0.00 0.00 175.22 173.64 2j28 s VAL 69 N -0.58 4.16 -0.26 -2.49 -7.23 -1.13 -4.96 120.40 107.93 2j28 s VAL 69 Ca -0.07 -0.26 -0.12 0.00 -1.81 0.00 0.00 61.98 59.72 2j28 s VAL 69 Cb -0.02 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 2j28 s VAL 69 CO 0.06 0.49 0.21 0.28 -0.31 0.00 0.00 175.10 175.83 2j28 s THR 70 N 0.27 5.31 0.00 5.32 -1.32 -1.26 -2.77 115.64 121.19 2j28 s THR 70 Ca -0.01 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 2j28 s THR 70 Cb -0.13 -3.55 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 2j28 s THR 70 CO 0.02 0.28 0.00 0.29 -2.21 0.00 0.00 174.62 173.00 2j28 n LYS 71 N 4.71 3.95 -3.96 7.08 5.02 -1.18 -5.07 118.16 128.71 2j28 n LYS 71 Ca -0.13 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.86 2j28 n LYS 71 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.48 2j28 n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2j28 s THR 72 N 3.04 5.12 0.68 -0.18 -1.32 -1.26 -4.82 115.64 116.89 2j28 s THR 72 Ca 0.00 -0.56 -0.17 0.00 -1.21 0.00 0.00 61.69 59.75 2j28 s THR 72 Cb 0.00 -3.51 -0.00 0.00 -1.51 0.00 0.00 72.50 67.47 2j28 s THR 72 CO 0.00 0.09 1.13 -0.81 -2.21 0.00 0.00 174.62 172.83 2j28 n PRO 73 N 0.19 0.80 -1.53 7.08 -0.04 -1.26 -4.52 135.00 135.72 2j28 n PRO 73 Ca -0.06 0.33 -0.39 0.00 -0.04 0.00 0.00 63.50 63.34 2j28 n PRO 73 Cb 0.52 -2.37 0.04 0.00 -0.04 0.00 0.00 33.50 31.64 2j28 n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2j28 n PRO 74 N -1.89 0.72 -0.19 0.54 -0.02 -1.26 -4.77 135.00 128.12 2j28 n PRO 74 Ca 0.15 0.28 -0.07 0.00 -2.02 0.00 0.00 63.50 61.83 2j28 n PRO 74 Cb 0.49 -1.86 0.02 0.00 -0.02 0.00 0.00 33.50 32.13 2j28 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2j28 h ALA 75 N 0.51 0.71 -0.44 3.55 0.00 -1.99 -1.23 119.26 120.37 2j28 h ALA 75 Ca -0.46 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.39 2j28 h ALA 75 Cb 1.38 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2j28 h ALA 75 CO 0.50 0.26 0.17 0.00 0.00 0.00 0.00 179.25 180.17 2j28 h ALA 76 N 1.11 0.54 0.17 0.00 0.00 -1.93 0.10 119.26 119.26 2j28 h ALA 76 Ca 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2j28 h ALA 76 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2j28 h ALA 76 CO -0.03 -0.22 -0.08 0.28 0.00 0.00 0.00 179.25 179.20 2j28 h VAL 77 N 0.34 0.88 -1.00 0.00 2.07 -1.85 -1.20 116.25 115.49 2j28 h VAL 77 Ca 0.21 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.60 2j28 h VAL 77 Cb 0.19 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 2j28 h VAL 77 CO -0.20 0.05 0.64 -0.07 0.02 0.00 0.00 177.57 178.01 2j28 h LEU 78 N -0.34 0.97 -0.99 2.57 3.38 -0.90 0.42 115.31 120.43 2j28 h LEU 78 Ca -0.02 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2j28 h LEU 78 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2j28 h LEU 78 CO 0.04 0.56 -0.03 -0.07 0.09 0.00 0.00 178.44 179.03 2j28 h LEU 79 N 1.06 0.67 -0.09 1.67 3.38 -0.55 -1.14 115.31 120.32 2j28 h LEU 79 Ca 0.47 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2j28 h LEU 79 Cb 0.36 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2j28 h LEU 79 CO -0.23 0.76 0.04 0.11 0.09 0.00 0.00 178.44 179.21 2j28 h LYS 80 N 0.65 0.13 0.14 1.13 1.57 0.30 0.17 116.57 120.66 2j28 h LYS 80 Ca 0.13 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2j28 h LYS 80 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2j28 h LYS 80 CO 0.02 0.24 -0.07 0.87 -0.57 0.00 0.00 179.45 179.95 2j28 h LYS 81 N -0.02 -0.18 -0.55 3.15 1.57 -1.11 0.48 116.57 119.92 2j28 h LYS 81 Ca 0.03 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 2j28 h LYS 81 Cb 0.16 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 2j28 h LYS 81 CO -0.00 -0.12 0.14 0.00 -0.57 0.00 0.00 179.45 178.90 2j28 h ALA 82 N 0.68 0.65 0.00 3.86 0.00 -1.11 0.17 119.26 123.52 2j28 h ALA 82 Ca -0.02 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2j28 h ALA 82 Cb 0.14 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2j28 h ALA 82 CO 0.03 -0.28 -0.32 0.00 0.00 0.00 0.00 179.25 178.68 2j28 h ALA 83 N 1.42 1.18 0.00 0.00 0.00 -0.30 -3.46 119.26 118.09 2j28 h ALA 83 Ca 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2j28 h ALA 83 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2j28 h ALA 83 CO -0.34 0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2j28 n GLY 84 N -0.19 0.50 3.89 0.00 0.00 0.15 -4.74 105.19 104.80 2j28 n GLY 84 Ca -0.01 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 2j28 n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2j28 s ILE 85 N -2.00 5.02 -0.08 -0.61 -4.36 -0.10 -4.99 121.20 114.07 2j28 s ILE 85 Ca 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 60.65 59.55 2j28 s ILE 85 Cb 0.00 -3.58 -0.25 0.00 1.25 0.00 0.00 42.46 39.88 2j28 s ILE 85 CO 0.00 -0.10 0.53 0.11 0.24 0.00 0.00 174.94 175.72 2j28 h LYS 86 N 2.21 0.18 -4.67 0.37 1.57 -1.97 -3.39 116.57 110.88 2j28 h LYS 86 Ca -0.48 -0.30 -0.26 0.00 -1.87 0.00 0.00 60.65 57.73 2j28 h LYS 86 Cb 1.20 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 33.47 2j28 h LYS 86 CO 0.66 0.96 -0.64 0.45 -0.57 0.00 0.00 179.45 180.31 2j28 s SER 87 N -6.71 0.72 1.02 0.86 0.15 -1.26 -5.06 113.70 103.41 2j28 s SER 87 Ca -0.15 -1.28 -0.02 0.00 0.70 0.00 0.00 55.95 55.21 2j28 s SER 87 Cb 0.07 0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.64 2j28 s SER 87 CO 0.80 -0.71 0.09 0.61 1.20 0.00 0.00 173.24 175.23 2j28 n GLY 88 N -0.26 -2.24 0.03 9.45 0.00 -1.26 -4.98 105.19 105.93 2j28 n GLY 88 Ca -0.03 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.62 2j28 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2j28 n SER 89 N -3.13 0.53 0.00 1.61 3.41 -0.70 -4.94 113.62 110.40 2j28 n SER 89 Ca 0.01 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2j28 n SER 89 Cb 0.04 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2j28 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j28 n GLY 90 N 1.48 1.61 2.57 5.00 0.00 -1.26 -4.48 105.19 110.11 2j28 n GLY 90 Ca 0.07 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2j28 n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j28 n LYS 91 N 0.00 2.16 -1.55 1.61 4.01 -1.26 -5.10 118.16 118.03 2j28 n LYS 91 Ca 0.00 -4.51 -0.38 0.00 -0.51 0.00 0.00 58.31 52.91 2j28 n LYS 91 Cb 0.00 -2.21 0.04 0.00 -0.51 0.00 0.00 35.03 32.36 2j28 n LYS 91 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2j28 n PRO 92 N 1.29 0.73 0.00 1.97 -0.02 -1.26 -2.22 135.00 135.49 2j28 n PRO 92 Ca 0.26 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2j28 n PRO 92 Cb 0.40 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2j28 n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2j28 n ASN 93 N -0.16 0.00 -0.03 2.55 5.03 -1.26 -4.56 115.26 116.82 2j28 n ASN 93 Ca 0.13 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.44 2j28 n ASN 93 Cb 0.47 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.12 2j28 n ASN 93 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2j28 h LYS 94 N 0.00 0.06 -4.57 3.52 3.64 -1.85 -3.44 116.57 113.93 2j28 h LYS 94 Ca 0.00 -0.05 -0.55 0.00 -1.27 0.00 0.00 60.65 58.78 2j28 h LYS 94 Cb 0.00 0.01 -0.35 0.00 -0.41 0.00 0.00 32.23 31.49 2j28 h LYS 94 CO 0.00 0.73 -0.82 0.34 -2.27 0.00 0.00 179.45 177.43 2j28 s ASP 95 N -5.99 2.13 -0.23 4.20 2.15 -0.94 -5.12 116.67 112.86 2j28 s ASP 95 Ca -0.17 -0.35 -0.18 0.00 0.43 0.00 0.00 52.55 52.28 2j28 s ASP 95 Cb 0.00 -0.94 -0.03 0.00 -0.30 0.00 0.00 42.92 41.66 2j28 s ASP 95 CO 0.70 -0.00 0.52 -1.59 -0.17 0.00 0.00 175.17 174.63 2j28 s LYS 96 N 0.99 4.13 0.14 4.34 -2.85 -1.26 -4.60 119.74 120.63 2j28 s LYS 96 Ca -0.08 0.37 0.20 0.00 -1.00 0.00 0.00 55.97 55.46 2j28 s LYS 96 Cb -0.15 -3.61 -0.06 0.00 -2.06 0.00 0.00 37.83 31.95 2j28 s LYS 96 CO -0.01 -0.26 0.96 -0.39 0.10 0.00 0.00 175.35 175.75 2j28 h VAL 97 N 5.27 0.24 -2.93 1.79 -1.51 -1.57 -3.49 116.25 114.04 2j28 h VAL 97 Ca -0.31 -1.47 -0.01 0.00 -1.23 0.00 0.00 66.70 63.68 2j28 h VAL 97 Cb 1.15 1.76 0.01 0.00 -2.13 0.00 0.00 31.29 32.07 2j28 h VAL 97 CO 0.73 0.14 0.30 0.61 -1.23 0.00 0.00 177.57 178.12 2j28 n GLY 98 N 1.28 0.96 3.12 5.19 0.00 -1.21 -5.01 105.19 109.52 2j28 n GLY 98 Ca -0.04 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 2j28 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j28 s LYS 99 N -2.08 0.64 -0.07 1.61 0.00 -1.26 -1.24 119.74 117.34 2j28 s LYS 99 Ca 0.16 -0.98 -0.06 0.00 0.00 0.00 0.00 55.97 55.09 2j28 s LYS 99 Cb -0.05 0.24 0.02 0.00 0.00 0.00 0.00 37.83 38.05 2j28 s LYS 99 CO 0.11 -0.16 0.17 0.42 0.00 0.00 0.00 175.35 175.90 2j28 s ILE 100 N -3.38 -0.00 0.67 3.79 1.01 0.15 -4.47 121.20 118.97 2j28 s ILE 100 Ca 0.02 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.55 2j28 s ILE 100 Cb 0.04 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.25 2j28 s ILE 100 CO -0.08 0.01 1.08 -0.94 0.00 0.00 0.00 174.94 175.01 2j28 s SER 101 N 0.20 5.23 0.47 3.58 1.04 -1.26 -1.29 113.70 121.68 2j28 s SER 101 Ca -0.01 1.85 0.14 0.00 0.48 0.00 0.00 55.95 58.41 2j28 s SER 101 Cb -0.02 -2.53 1.09 0.00 0.10 0.00 0.00 66.02 64.66 2j28 s SER 101 CO -0.00 -1.54 2.06 0.03 0.98 0.00 0.00 173.24 174.76 2j28 h ARG 102 N -0.19 0.06 -0.18 4.02 2.47 -1.54 -2.22 114.38 116.80 2j28 h ARG 102 Ca -0.46 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.25 2j28 h ARG 102 Cb 1.23 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 2j28 h ARG 102 CO 0.55 0.13 0.09 0.00 0.56 0.00 0.00 179.97 181.30 2j28 h ALA 103 N 1.88 0.23 -0.38 0.04 0.00 -1.88 -2.67 119.26 116.48 2j28 h ALA 103 Ca 0.01 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2j28 h ALA 103 Cb 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2j28 h ALA 103 CO 0.01 -0.23 0.07 1.96 0.00 0.00 0.00 179.25 181.06 2j28 h GLN 104 N 0.18 0.19 -0.89 0.00 4.20 -1.77 -1.58 115.11 115.43 2j28 h GLN 104 Ca 0.06 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.88 2j28 h GLN 104 Cb 0.09 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 2j28 h GLN 104 CO -0.01 0.12 0.58 -0.07 -0.67 0.00 0.00 178.83 178.78 2j28 h LEU 105 N 0.19 0.75 -0.76 1.46 3.38 -1.32 0.24 115.31 119.25 2j28 h LEU 105 Ca 0.18 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2j28 h LEU 105 Cb 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2j28 h LEU 105 CO -0.25 0.41 0.11 1.56 0.09 0.00 0.00 178.44 180.37 2j28 h GLN 106 N 0.81 1.06 -0.55 1.13 4.20 -0.97 0.35 115.11 121.14 2j28 h GLN 106 Ca 0.43 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 2j28 h GLN 106 Cb 0.53 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2j28 h GLN 106 CO -0.19 0.96 0.08 0.93 -0.67 0.00 0.00 178.83 179.94 2j28 h GLU 107 N 0.99 0.91 -0.38 1.46 5.08 0.06 0.18 114.58 122.88 2j28 h GLU 107 Ca 0.20 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 2j28 h GLU 107 Cb 0.42 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2j28 h GLU 107 CO 0.01 0.89 -0.32 0.82 -1.00 0.00 0.00 179.01 179.41 2j28 h ILE 108 N 0.80 1.28 -0.74 3.13 2.04 -0.48 -0.98 117.51 122.56 2j28 h ILE 108 Ca 0.17 -1.49 0.02 0.00 1.00 0.00 0.00 64.86 64.56 2j28 h ILE 108 Cb 0.42 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 2j28 h ILE 108 CO 0.01 0.50 0.49 0.00 0.00 0.00 0.00 178.15 179.15 2j28 h ALA 109 N 0.78 1.52 -0.39 1.87 0.00 0.02 0.71 119.26 123.77 2j28 h ALA 109 Ca 0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2j28 h ALA 109 Cb 0.91 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2j28 h ALA 109 CO 0.08 0.42 -0.18 0.37 0.00 0.00 0.00 179.25 179.94 2j28 h GLN 110 N 0.95 0.82 0.14 0.00 5.75 -0.30 0.77 115.11 123.23 2j28 h GLN 110 Ca 0.28 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2j28 h GLN 110 Cb -0.03 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.50 2j28 h GLN 110 CO -0.07 0.99 -0.06 1.15 -2.65 0.00 0.00 178.83 178.18 2j28 h THR 111 N 0.63 0.94 0.00 2.39 2.02 -0.15 -2.84 112.91 115.90 2j28 h THR 111 Ca 0.09 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2j28 h THR 111 Cb 0.74 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2j28 h THR 111 CO 0.06 0.07 0.00 0.11 0.37 0.00 0.00 175.52 176.13 2j28 h LYS 112 N -0.32 0.00 -0.64 6.66 1.79 -0.89 -3.36 116.57 119.80 2j28 h LYS 112 Ca -0.02 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.57 2j28 h LYS 112 Cb 0.26 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.79 2j28 h LYS 112 CO 0.03 0.00 -0.20 0.00 -1.08 0.00 0.00 179.45 178.20 2j28 n ALA 113 N -1.92 0.06 -0.23 3.86 0.00 0.26 0.48 120.51 123.03 2j28 n ALA 113 Ca 0.02 0.68 0.02 0.00 0.00 0.00 0.00 53.44 54.16 2j28 n ALA 113 Cb 0.30 -0.37 0.14 0.00 0.00 0.00 0.00 19.45 19.53 2j28 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j28 h ALA 114 N 1.12 0.91 0.00 0.00 0.00 -1.79 -1.75 119.26 117.76 2j28 h ALA 114 Ca 0.27 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2j28 h ALA 114 Cb 0.43 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2j28 h ALA 114 CO -0.65 -0.20 -0.26 -0.44 0.00 0.00 0.00 179.25 177.70 2j28 h ASP 115 N 0.42 0.00 -3.44 0.00 3.32 -0.27 -3.47 116.42 112.99 2j28 h ASP 115 Ca 0.36 -0.04 -0.54 0.00 0.02 0.00 0.00 57.03 56.83 2j28 h ASP 115 Cb 0.49 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 2j28 h ASP 115 CO -0.36 0.02 -0.10 -0.04 -1.72 0.00 0.00 179.24 177.05 2j28 s MET 116 N -3.19 3.84 0.35 3.56 -1.94 -0.34 -5.00 119.30 116.59 2j28 s MET 116 Ca 0.07 0.33 0.19 0.00 -1.71 0.00 0.00 55.69 54.56 2j28 s MET 116 Cb 0.10 -2.66 0.29 0.00 2.01 0.00 0.00 34.83 34.57 2j28 s MET 116 CO 0.67 0.32 1.56 0.00 -0.01 0.00 0.00 175.02 177.56 2j28 h THR 117 N 2.09 0.57 -0.42 2.05 1.03 -1.91 -3.47 112.91 112.84 2j28 h THR 117 Ca -0.47 -1.69 -0.35 0.00 -0.01 0.00 0.00 66.41 63.89 2j28 h THR 117 Cb 1.17 2.19 0.01 0.00 -1.07 0.00 0.00 68.15 70.46 2j28 h THR 117 CO 0.68 0.31 0.14 0.61 -0.01 0.00 0.00 175.52 177.25 2j28 n GLY 118 N 1.00 -0.03 0.16 2.99 0.00 -1.26 -4.87 105.19 103.18 2j28 n GLY 118 Ca 0.02 0.37 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 2j28 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j28 h ALA 119 N 1.63 0.17 -2.06 4.61 0.00 -1.95 -3.47 119.26 118.20 2j28 h ALA 119 Ca -0.20 -0.53 -0.47 0.00 0.00 0.00 0.00 54.91 53.71 2j28 h ALA 119 Cb 0.59 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.25 2j28 h ALA 119 CO 0.34 0.39 -0.64 0.16 0.00 0.00 0.00 179.25 179.50 2j28 s ASP 120 N -6.72 2.47 0.32 0.00 1.47 -1.26 -5.06 116.67 107.90 2j28 s ASP 120 Ca -0.13 -1.29 0.01 0.00 1.18 0.00 0.00 52.55 52.32 2j28 s ASP 120 Cb 0.05 -0.11 0.55 0.00 -0.34 0.00 0.00 42.92 43.08 2j28 s ASP 120 CO 0.83 -0.49 1.98 0.16 0.68 0.00 0.00 175.17 178.32 2j28 h ILE 121 N 2.22 1.16 -0.48 2.11 -2.65 -1.99 -2.19 117.51 115.69 2j28 h ILE 121 Ca -0.40 -0.34 0.02 0.00 1.03 0.00 0.00 64.86 65.17 2j28 h ILE 121 Cb 1.24 0.09 -0.03 0.00 -2.05 0.00 0.00 36.82 36.07 2j28 h ILE 121 CO 0.68 0.18 0.29 -0.33 0.03 0.00 0.00 178.15 179.01 2j28 h GLU 122 N 0.98 0.58 -0.32 0.16 3.07 -1.98 0.27 114.58 117.34 2j28 h GLU 122 Ca 0.29 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.15 2j28 h GLU 122 Cb -0.04 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.70 2j28 h GLU 122 CO -0.07 0.38 0.11 0.00 -1.40 0.00 0.00 179.01 178.03 2j28 h ALA 123 N 1.20 0.36 0.18 3.43 0.00 -1.83 -0.89 119.26 121.71 2j28 h ALA 123 Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2j28 h ALA 123 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2j28 h ALA 123 CO -0.07 -0.29 -0.09 0.52 0.00 0.00 0.00 179.25 179.33 2j28 h MET 124 N 0.25 -0.23 -0.84 0.00 2.86 -0.88 -1.50 114.93 114.58 2j28 h MET 124 Ca 0.14 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.97 2j28 h MET 124 Cb 0.11 0.05 -0.11 0.00 0.06 0.00 0.00 31.60 31.72 2j28 h MET 124 CO -0.14 -0.08 0.36 1.15 1.06 0.00 0.00 176.91 179.26 2j28 h THR 125 N -0.34 0.59 0.00 2.22 2.02 -0.28 -0.49 112.91 116.63 2j28 h THR 125 Ca -0.02 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 2j28 h THR 125 Cb 0.27 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2j28 h THR 125 CO 0.04 0.08 -0.20 -0.09 0.37 0.00 0.00 175.52 175.72 2j28 h ARG 126 N 0.45 0.00 -0.40 6.66 2.43 -0.92 -1.17 114.38 121.43 2j28 h ARG 126 Ca 0.49 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.55 2j28 h ARG 126 Cb 0.82 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2j28 h ARG 126 CO -0.46 0.20 -0.18 0.77 -1.51 0.00 0.00 179.97 178.80 2j28 h SER 127 N 0.00 0.85 -0.24 -3.80 0.02 -0.03 -2.17 113.55 108.19 2j28 h SER 127 Ca -0.00 -0.40 -0.12 0.00 -0.84 0.00 0.00 61.79 60.43 2j28 h SER 127 Cb 0.99 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2j28 h SER 127 CO 0.03 1.06 -0.27 0.40 -1.14 0.00 0.00 176.83 176.90 2j28 h ILE 128 N 0.64 1.28 -0.43 3.27 2.04 -1.30 -2.38 117.51 120.63 2j28 h ILE 128 Ca 0.09 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 2j28 h ILE 128 Cb 0.73 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2j28 h ILE 128 CO 0.06 0.46 0.26 -0.33 0.00 0.00 0.00 178.15 178.60 2j28 h GLU 129 N 0.62 0.57 -0.69 2.37 5.08 -1.04 -0.09 114.58 121.41 2j28 h GLU 129 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2j28 h GLU 129 Cb 0.78 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2j28 h GLU 129 CO 0.06 0.40 0.41 0.78 -1.00 0.00 0.00 179.01 179.66 2j28 h GLY 130 N 0.62 1.00 1.20 -3.84 0.00 -0.86 -0.63 103.07 100.55 2j28 h GLY 130 Ca 0.16 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 46.87 2j28 h GLY 130 CO -0.03 0.40 -0.67 -0.91 0.00 0.00 0.00 176.54 175.32 2j28 h THR 131 N 0.95 1.28 -0.60 4.70 1.35 -0.98 -2.96 112.91 116.65 2j28 h THR 131 Ca 0.25 -1.87 -0.01 0.00 -0.55 0.00 0.00 66.41 64.23 2j28 h THR 131 Cb -0.03 1.83 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 2j28 h THR 131 CO -0.05 0.60 0.34 0.00 -0.25 0.00 0.00 175.52 176.17 2j28 h ALA 132 N 0.64 0.77 0.00 6.62 0.00 -0.52 -0.79 119.26 125.97 2j28 h ALA 132 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2j28 h ALA 132 Cb 1.29 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2j28 h ALA 132 CO 0.14 0.27 -0.04 0.00 0.00 0.00 0.00 179.25 179.62 2j28 h ARG 133 N 0.81 0.00 0.00 0.00 3.08 -1.15 0.29 114.38 117.42 2j28 h ARG 133 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2j28 h ARG 133 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2j28 h ARG 133 CO -0.04 0.04 -0.50 0.77 -1.07 0.00 0.00 179.97 179.17 2j28 h SER 134 N 0.00 0.00 0.20 7.04 0.02 -1.07 -3.31 113.55 116.43 2j28 h SER 134 Ca -0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2j28 h SER 134 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2j28 h SER 134 CO 0.01 0.04 -0.66 0.23 -1.14 0.00 0.00 176.83 175.31 2j28 n MET 135 N -2.45 0.29 -1.81 3.45 2.81 -0.04 -4.64 117.12 114.74 2j28 n MET 135 Ca 0.03 -0.21 -0.00 0.00 -1.81 0.00 0.00 57.70 55.70 2j28 n MET 135 Cb 0.48 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.49 2j28 n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2j28 n GLY 136 N 1.47 0.37 3.26 3.03 0.00 -0.86 -1.73 105.19 110.72 2j28 n GLY 136 Ca 0.06 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 2j28 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j28 s LEU 137 N -0.04 3.81 0.51 0.99 1.43 -0.43 -1.51 118.68 123.45 2j28 s LEU 137 Ca 0.00 -0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 52.00 2j28 s LEU 137 Cb 0.00 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 2j28 s LEU 137 CO 0.00 -0.22 0.93 -0.69 0.23 0.00 0.00 176.35 176.60 2j28 s VAL 138 N 1.38 4.67 -0.14 -1.59 1.01 -0.37 -4.04 120.40 121.32 2j28 s VAL 138 Ca -0.01 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.89 2j28 s VAL 138 Cb -0.18 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.45 2j28 s VAL 138 CO 0.00 -0.78 -0.14 -0.69 0.00 0.00 0.00 175.10 173.49 2j28 s VAL 139 N -2.72 1.50 -0.23 2.92 1.01 -1.25 0.30 120.40 121.93 2j28 s VAL 139 Ca 0.55 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 2j28 s VAL 139 Cb -0.10 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2j28 s VAL 139 CO 0.38 0.45 0.08 -1.83 0.00 0.00 0.00 175.10 174.18 2j28 s GLU 140 N 1.38 3.78 0.00 2.72 1.03 -0.41 -4.87 118.70 122.34 2j28 s GLU 140 Ca 0.02 -0.42 0.27 0.00 0.03 0.00 0.00 54.97 54.87 2j28 s GLU 140 Cb -0.13 -3.34 1.58 0.00 -0.80 0.00 0.00 34.13 31.44 2j28 s GLU 140 CO -0.08 -0.06 1.93 -3.47 -1.33 0.00 0.00 175.26 172.25