#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hji n HIS 37 N 0.00 2.22 -1.49 1.12 8.25 -1.26 -5.08 115.22 118.97 3hji n HIS 37 Ca 0.00 -2.60 -0.46 0.00 -0.26 0.00 0.00 57.72 54.40 3hji n HIS 37 Cb 0.00 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 30.84 3hji n HIS 37 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hji n THR 38 N -0.46 1.96 -4.54 1.59 -1.04 -1.26 -5.00 114.28 105.54 3hji n THR 38 Ca 0.26 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.43 3hji n THR 38 Cb 0.81 -0.49 -0.11 0.00 -1.82 0.00 0.00 70.33 68.72 3hji n THR 38 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hji s LEU 39 N 1.77 3.29 -0.07 -4.42 1.02 -1.26 -4.97 118.68 114.04 3hji s LEU 39 Ca 0.61 0.02 -0.04 0.00 0.02 0.00 0.00 54.13 54.74 3hji s LEU 39 Cb -0.80 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 43.64 3hji s LEU 39 CO 0.58 0.35 0.10 -0.31 0.02 0.00 0.00 176.35 177.10 3hji s TYR 40 N -0.73 3.43 -0.08 0.29 2.02 -1.26 -5.05 117.35 115.97 3hji s TYR 40 Ca 0.11 0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 56.88 3hji s TYR 40 Cb -0.11 -1.85 -0.07 0.00 -0.40 0.00 0.00 41.96 39.53 3hji s TYR 40 CO 0.02 0.63 1.99 0.00 -1.57 0.00 0.00 175.55 176.62 3hji s ALA 41 N -1.08 3.28 0.09 3.71 0.00 -1.26 -4.91 121.76 121.59 3hji s ALA 41 Ca 0.18 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.88 3hji s ALA 41 Cb -0.12 -3.91 -0.10 0.00 0.00 0.00 0.00 23.12 18.99 3hji s ALA 41 CO 0.08 -1.99 1.82 -1.25 0.00 0.00 0.00 175.76 174.42 3hji s PRO 42 N 5.05 4.15 0.00 0.00 0.04 -1.26 -1.15 135.00 141.83 3hji s PRO 42 Ca 0.90 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.48 3hji s PRO 42 Cb -0.37 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.45 3hji s PRO 42 CO 0.38 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.98 3hji n GLY 43 N 4.25 0.55 0.54 0.56 0.00 -1.26 -5.01 105.19 104.83 3hji n GLY 43 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hji n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hji n GLY 44 N -1.88 -2.29 3.68 -0.02 0.00 -0.30 -4.96 105.19 99.42 3hji n GLY 44 Ca 0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 3hji n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hji s TYR 45 N -0.92 3.03 -1.61 1.61 1.51 -1.26 -4.86 117.35 114.85 3hji s TYR 45 Ca 0.00 0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 55.99 3hji s TYR 45 Cb 0.00 -1.61 -0.09 0.00 -0.11 0.00 0.00 41.96 40.15 3hji s TYR 45 CO 0.00 0.46 2.93 -3.47 -1.11 0.00 0.00 175.55 174.36 3hji n ASP 46 N 1.04 8.57 -0.28 2.29 2.03 -1.26 -4.69 116.55 124.25 3hji n ASP 46 Ca -0.13 -2.57 0.01 0.00 0.52 0.00 0.00 54.79 52.62 3hji n ASP 46 Cb 0.52 -1.55 0.14 0.00 -0.72 0.00 0.00 41.12 39.51 3hji n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3hji h ILE 47 N 3.04 0.97 -0.24 5.18 1.08 -1.99 -0.05 117.51 125.50 3hji h ILE 47 Ca 0.86 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 65.03 3hji h ILE 47 Cb 0.29 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 3hji h ILE 47 CO 1.78 0.15 0.07 0.24 -0.69 0.00 0.00 178.15 179.71 3hji h MET 48 N 0.83 0.38 -0.90 2.37 2.86 -2.00 -0.51 114.93 117.95 3hji h MET 48 Ca 0.36 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.97 3hji h MET 48 Cb 0.25 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 3hji h MET 48 CO -0.20 0.46 0.59 0.78 1.06 0.00 0.00 176.91 179.60 3hji h GLY 49 N 0.23 1.31 1.51 8.32 0.00 -1.81 -0.98 103.07 111.65 3hji h GLY 49 Ca 0.08 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 3hji h GLY 49 CO -0.00 0.35 -0.48 -0.97 0.00 0.00 0.00 176.54 175.44 3hji h TYR 50 N 1.09 0.64 -0.59 5.60 0.05 -0.69 -0.08 116.97 122.99 3hji h TYR 50 Ca 0.37 -0.21 -0.08 0.00 0.05 0.00 0.00 58.73 58.87 3hji h TYR 50 Cb 0.10 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 3hji h TYR 50 CO -0.00 0.90 0.05 -0.07 -1.05 0.00 0.00 178.16 178.00 3hji h LEU 51 N 0.42 0.95 -0.26 3.88 3.38 -0.37 0.19 115.31 123.51 3hji h LEU 51 Ca 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3hji h LEU 51 Cb 0.99 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3hji h LEU 51 CO 0.09 0.98 0.06 0.40 0.09 0.00 0.00 178.44 180.06 3hji h ILE 52 N 0.92 1.21 -0.74 1.22 2.04 -0.92 -1.29 117.51 119.96 3hji h ILE 52 Ca 0.18 -0.69 0.08 0.00 1.00 0.00 0.00 64.86 65.43 3hji h ILE 52 Cb 0.46 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 3hji h ILE 52 CO 0.02 0.22 0.40 -0.61 0.00 0.00 0.00 178.15 178.18 3hji h GLN 53 N 0.24 0.68 -0.18 2.37 4.15 -0.64 -0.72 115.11 121.02 3hji h GLN 53 Ca 0.08 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 3hji h GLN 53 Cb 0.28 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3hji h GLN 53 CO 0.00 0.45 0.03 0.82 -1.93 0.00 0.00 178.83 178.20 3hji h ILE 54 N 0.70 1.22 0.00 2.39 2.04 -0.71 -1.61 117.51 121.54 3hji h ILE 54 Ca 0.35 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3hji h ILE 54 Cb 0.31 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3hji h ILE 54 CO -0.23 0.22 -0.11 0.24 0.00 0.00 0.00 178.15 178.26 3hji h MET 55 N 0.08 0.00 -0.10 2.37 2.86 -0.83 -2.59 114.93 116.73 3hji h MET 55 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3hji h MET 55 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3hji h MET 55 CO 0.00 0.11 0.00 0.09 1.06 0.00 0.00 176.91 178.18 3hji n ASN 56 N -3.43 2.56 -4.76 1.22 3.02 -0.31 -4.98 115.26 108.58 3hji n ASN 56 Ca -0.01 -1.84 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 3hji n ASN 56 Cb 0.28 -0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 3hji n ASN 56 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hji n ARG 57 N 0.97 2.71 0.18 3.52 1.85 -0.63 -4.95 116.66 120.32 3hji n ARG 57 Ca 0.16 0.96 -0.15 0.00 -1.00 0.00 0.00 57.85 57.83 3hji n ARG 57 Cb 0.51 -2.72 -0.08 0.00 -1.05 0.00 0.00 32.46 29.12 3hji n ARG 57 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3hji h PRO 58 N 4.02 -0.39 -2.46 2.89 0.13 -1.92 -3.37 132.00 130.90 3hji h PRO 58 Ca -0.49 0.03 -0.66 0.00 -0.87 0.00 0.00 66.00 64.01 3hji h PRO 58 Cb 1.23 0.09 -0.38 0.00 0.13 0.00 0.00 31.00 32.07 3hji h PRO 58 CO 0.73 -0.22 -0.23 0.09 -0.23 0.00 0.00 178.00 178.14 3hji n ASN 59 N -5.24 4.42 -4.72 1.44 3.02 -1.26 -5.06 115.26 107.86 3hji n ASN 59 Ca -0.10 -3.42 -0.42 0.00 -0.03 0.00 0.00 54.58 50.61 3hji n ASN 59 Cb 0.20 -0.84 -0.03 0.00 -0.61 0.00 0.00 39.78 38.50 3hji n ASN 59 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hji s PRO 60 N -2.47 4.22 0.12 3.52 0.04 -1.26 -4.88 135.00 134.28 3hji s PRO 60 Ca 0.37 2.35 0.21 0.00 0.04 0.00 0.00 61.00 63.97 3hji s PRO 60 Cb 0.11 -3.19 -0.11 0.00 0.04 0.00 0.00 34.50 31.35 3hji s PRO 60 CO 0.01 -0.61 0.85 1.04 0.04 0.00 0.00 177.00 178.32 3hji n GLN 61 N 4.09 0.62 -4.35 4.56 1.13 -1.26 -4.85 117.38 117.32 3hji n GLN 61 Ca 0.14 0.05 -0.20 0.00 -1.94 0.00 0.00 57.00 55.05 3hji n GLN 61 Cb 0.39 -1.74 -0.16 0.00 0.11 0.00 0.00 30.24 28.84 3hji n GLN 61 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hji s VAL 62 N -3.32 0.74 -0.18 5.09 1.01 -1.26 -5.08 120.40 117.41 3hji s VAL 62 Ca -0.03 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 3hji s VAL 62 Cb 0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3hji s VAL 62 CO 0.82 0.24 0.69 -1.61 0.00 0.00 0.00 175.10 175.25 3hji s GLU 63 N 0.38 4.26 -0.12 2.72 8.01 -1.26 -4.90 118.70 127.78 3hji s GLU 63 Ca -0.06 0.75 0.13 0.00 0.01 0.00 0.00 54.97 55.80 3hji s GLU 63 Cb -0.10 -3.56 -0.18 0.00 -4.31 0.00 0.00 34.13 25.97 3hji s GLU 63 CO 0.01 -0.24 0.09 -0.11 0.01 0.00 0.00 175.26 175.02 3hji n LEU 64 N 4.99 0.00 0.00 1.80 7.94 -1.26 -5.12 117.00 125.36 3hji n LEU 64 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hji n LEU 64 Cb 0.50 0.29 0.00 0.00 0.53 0.00 0.00 43.42 44.74 3hji n LEU 64 CO 0.45 0.29 0.00 0.61 -1.11 0.00 0.00 177.39 177.64 3hji n GLY 65 N 2.08 -1.21 3.77 -3.96 0.00 -1.26 -4.85 105.19 99.76 3hji n GLY 65 Ca -0.20 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 3hji n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hji s PRO 66 N -1.02 4.25 0.07 1.61 0.04 -1.26 -5.00 135.00 133.70 3hji s PRO 66 Ca 0.00 2.36 0.03 0.00 0.04 0.00 0.00 61.00 63.43 3hji s PRO 66 Cb 0.00 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 3hji s PRO 66 CO 0.00 -0.35 -0.08 0.14 0.04 0.00 0.00 177.00 176.75 3hji s VAL 67 N -0.95 0.70 0.01 -0.36 -7.23 -1.26 -5.16 120.40 106.15 3hji s VAL 67 Ca 0.52 -1.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3hji s VAL 67 Cb -0.43 -1.05 0.00 0.00 0.56 0.00 0.00 36.38 35.46 3hji s VAL 67 CO 0.55 -0.53 0.01 -0.90 -0.31 0.00 0.00 175.10 173.93 3hji n ASP 68 N 0.90 -0.03 0.00 4.85 5.68 -1.26 -4.97 116.55 121.71 3hji n ASP 68 Ca -0.19 -1.05 0.13 0.00 -0.50 0.00 0.00 54.79 53.18 3hji n ASP 68 Cb 0.57 0.06 0.69 0.00 -1.14 0.00 0.00 41.12 41.30 3hji n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hji n THR 69 N -0.01 0.12 0.24 2.12 -2.24 -1.26 -3.44 114.28 109.81 3hji n THR 69 Ca 0.00 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 3hji n THR 69 Cb 0.01 -0.61 0.24 0.00 -2.10 0.00 0.00 70.33 67.88 3hji n THR 69 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hji h SER 70 N 0.00 0.00 -2.96 3.42 4.64 -2.03 -3.45 113.55 113.17 3hji h SER 70 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3hji h SER 70 Cb 0.16 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.32 3hji h SER 70 CO 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 176.05 3hji s ALA 72 N -3.01 3.60 0.14 0.00 0.00 -1.26 -4.49 121.76 116.73 3hji s ALA 72 Ca 0.60 0.36 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 3hji s ALA 72 Cb -0.10 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.52 3hji s ALA 72 CO 0.42 -0.95 0.46 -0.48 0.00 0.00 0.00 175.76 175.20 3hji s LEU 73 N 2.89 0.15 0.04 0.00 0.05 -1.26 -2.14 118.68 118.42 3hji s LEU 73 Ca 0.49 -0.28 -0.04 0.00 0.05 0.00 0.00 54.13 54.36 3hji s LEU 73 Cb -0.19 2.04 -0.02 0.00 -2.05 0.00 0.00 46.19 45.97 3hji s LEU 73 CO 0.13 -0.90 0.05 0.68 -0.55 0.00 0.00 176.35 175.75 3hji s VAL 74 N -3.80 0.15 -0.10 1.48 -7.23 -0.47 -1.04 120.40 109.38 3hji s VAL 74 Ca 0.03 -1.21 0.03 0.00 -1.81 0.00 0.00 61.98 59.02 3hji s VAL 74 Cb 0.01 -0.92 0.01 0.00 0.56 0.00 0.00 36.38 36.04 3hji s VAL 74 CO -0.11 -0.67 -0.18 -0.22 -0.31 0.00 0.00 175.10 173.61 3hji s LEU 75 N -2.18 1.86 0.12 1.32 2.96 -0.03 -1.00 118.68 121.73 3hji s LEU 75 Ca -0.04 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.48 3hji s LEU 75 Cb -0.01 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 3hji s LEU 75 CO -0.05 0.07 -0.13 0.00 -1.32 0.00 0.00 176.35 174.91 3hji s ASP 77 N -2.27 6.21 0.44 0.00 -1.08 -0.17 -1.96 116.67 117.84 3hji s ASP 77 Ca 0.20 -0.36 0.30 0.00 -0.52 0.00 0.00 52.55 52.17 3hji s ASP 77 Cb -0.11 -2.22 1.19 0.00 -1.46 0.00 0.00 42.92 40.32 3hji s ASP 77 CO 0.13 -0.47 1.87 -0.07 0.52 0.00 0.00 175.17 177.15 3hji h LEU 78 N 8.95 0.00 -3.28 -1.34 3.38 -1.48 -3.11 115.31 118.42 3hji h LEU 78 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3hji h LEU 78 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hji h LEU 78 CO 0.75 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.57 3hji n LYS 79 N -2.78 4.08 -4.29 1.13 4.01 -1.25 -4.79 118.16 114.28 3hji n LYS 79 Ca 0.01 -2.98 -0.22 0.00 -0.51 0.00 0.00 58.31 54.62 3hji n LYS 79 Cb 0.29 -2.01 -0.12 0.00 -0.51 0.00 0.00 35.03 32.68 3hji n LYS 79 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3hji s GLN 80 N -2.18 1.13 -0.29 1.97 -0.21 -1.17 -5.08 119.66 113.83 3hji s GLN 80 Ca 0.52 -1.23 -0.42 0.00 0.02 0.00 0.00 55.36 54.25 3hji s GLN 80 Cb 0.36 -1.27 -0.17 0.00 1.00 0.00 0.00 33.01 32.92 3hji s GLN 80 CO 0.21 0.28 1.61 1.17 -2.12 0.00 0.00 175.29 176.44 3hji n LYS 81 N 0.80 0.71 -2.67 2.91 3.00 -1.26 -1.78 118.16 119.87 3hji n LYS 81 Ca -0.17 0.26 -0.19 0.00 -0.00 0.00 0.00 58.31 58.20 3hji n LYS 81 Cb 0.55 -1.87 0.01 0.00 0.00 0.00 0.00 35.03 33.72 3hji n LYS 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3hji n ASP 82 N 4.35 -5.55 -3.94 3.14 2.03 -1.26 -4.02 116.55 111.31 3hji n ASP 82 Ca 0.27 -0.15 -0.36 0.00 0.52 0.00 0.00 54.79 55.07 3hji n ASP 82 Cb 0.07 -4.48 0.01 0.00 -0.72 0.00 0.00 41.12 36.00 3hji n ASP 82 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3hji n THR 83 N -4.22 -2.81 -2.38 5.18 5.66 -0.73 -4.36 114.28 110.62 3hji n THR 83 Ca -0.16 -0.31 -0.34 0.00 -3.05 0.00 0.00 64.05 60.19 3hji n THR 83 Cb 0.64 -2.45 -0.02 0.00 -1.55 0.00 0.00 70.33 66.95 3hji n THR 83 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3hji s PRO 84 N -6.26 3.58 0.09 1.09 0.04 -1.25 -4.52 135.00 127.78 3hji s PRO 84 Ca 0.26 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 3hji s PRO 84 Cb -0.14 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 3hji s PRO 84 CO 0.92 -0.63 1.32 0.08 0.04 0.00 0.00 177.00 178.73 3hji s VAL 85 N -1.98 3.58 -0.39 -0.36 1.01 -0.23 -1.00 120.40 121.03 3hji s VAL 85 Ca 0.69 1.13 0.04 0.00 0.00 0.00 0.00 61.98 63.84 3hji s VAL 85 Cb -0.19 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3hji s VAL 85 CO 0.25 0.09 0.48 1.33 0.00 0.00 0.00 175.10 177.24 3hji n VAL 86 N 3.95 0.00 -3.64 2.92 0.24 0.20 -0.70 118.33 121.29 3hji n VAL 86 Ca 0.11 -0.47 -0.10 0.00 -2.04 0.00 0.00 64.34 61.83 3hji n VAL 86 Cb 0.44 1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 3hji n VAL 86 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3hji s TYR 87 N -0.64 -0.87 -0.04 6.34 6.14 -1.13 -4.94 117.35 122.21 3hji s TYR 87 Ca 0.04 1.90 0.01 0.00 0.64 0.00 0.00 57.07 59.66 3hji s TYR 87 Cb 0.03 0.44 0.02 0.00 0.42 0.00 0.00 41.96 42.87 3hji s TYR 87 CO 0.08 -0.42 -0.03 0.00 0.64 0.00 0.00 175.55 175.81 3hji s ALA 88 N 0.96 0.54 0.66 3.97 0.00 -1.26 -0.85 121.76 125.77 3hji s ALA 88 Ca -0.05 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.81 3hji s ALA 88 Cb -0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3hji s ALA 88 CO -0.09 -0.02 1.06 -1.54 0.00 0.00 0.00 175.76 175.17 3hji s SER 89 N 0.90 5.45 0.34 0.00 1.04 -0.20 -4.90 113.70 116.33 3hji s SER 89 Ca -0.11 1.73 0.05 0.00 0.48 0.00 0.00 55.95 58.10 3hji s SER 89 Cb -0.14 -2.51 0.71 0.00 0.10 0.00 0.00 66.02 64.17 3hji s SER 89 CO -0.00 -1.39 1.92 -0.33 0.98 0.00 0.00 173.24 174.41 3hji h GLU 90 N -0.28 0.79 -0.22 4.02 5.08 -1.87 -1.72 114.58 120.38 3hji h GLU 90 Ca -0.45 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 3hji h GLU 90 Cb 1.22 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3hji h GLU 90 CO 0.56 0.52 -0.12 0.00 -1.00 0.00 0.00 179.01 178.97 3hji h ALA 91 N 1.58 1.39 -0.11 3.43 0.00 -1.82 -1.54 119.26 122.19 3hji h ALA 91 Ca 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hji h ALA 91 Cb 0.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hji h ALA 91 CO -0.14 0.42 -0.02 0.35 0.00 0.00 0.00 179.25 179.85 3hji h PHE 92 N 0.33 0.23 -0.69 0.00 3.57 -1.56 -0.68 116.94 118.14 3hji h PHE 92 Ca 0.07 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3hji h PHE 92 Cb 0.42 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 3hji h PHE 92 CO 0.01 0.50 0.43 -0.07 -2.23 0.00 0.00 178.31 176.95 3hji h LEU 93 N -0.10 0.81 -0.25 0.59 3.38 -1.22 -1.28 115.31 117.24 3hji h LEU 93 Ca 0.03 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3hji h LEU 93 Cb 0.42 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hji h LEU 93 CO 0.01 0.61 -0.23 0.22 0.09 0.00 0.00 178.44 179.14 3hji h TYR 94 N 0.95 0.71 -0.58 1.13 -0.00 -1.16 0.97 116.97 118.99 3hji h TYR 94 Ca 0.25 -0.21 -0.01 0.00 -0.00 0.00 0.00 58.73 58.76 3hji h TYR 94 Cb -0.07 -0.15 -0.03 0.00 -0.00 0.00 0.00 36.73 36.48 3hji h TYR 94 CO 0.00 0.91 0.32 1.98 -0.00 0.00 0.00 178.16 181.37 3hji h MET 95 N 0.31 0.81 0.00 1.82 4.05 -0.64 -3.17 114.93 118.11 3hji h MET 95 Ca 0.04 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 3hji h MET 95 Cb 0.78 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 3hji h MET 95 CO 0.06 0.62 -0.99 1.79 0.23 0.00 0.00 176.91 178.62 3hji h THR 96 N 0.79 0.33 0.00 -0.77 1.35 -1.27 -3.47 112.91 109.87 3hji h THR 96 Ca 0.20 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 3hji h THR 96 Cb 0.04 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 3hji h THR 96 CO -0.03 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 3hji n GLY 97 N 1.27 0.78 3.92 5.82 0.00 0.32 0.07 105.19 117.38 3hji n GLY 97 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3hji n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hji s TYR 98 N -2.93 3.48 0.53 1.61 1.51 -1.13 -4.67 117.35 115.74 3hji s TYR 98 Ca 0.00 0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 56.51 3hji s TYR 98 Cb 0.00 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 3hji s TYR 98 CO 0.00 0.26 0.77 -1.54 -1.11 0.00 0.00 175.55 173.93 3hji s SER 99 N -3.31 5.48 0.34 2.29 1.04 -1.26 -4.58 113.70 113.70 3hji s SER 99 Ca 0.41 0.22 0.02 0.00 0.48 0.00 0.00 55.95 57.07 3hji s SER 99 Cb -0.11 -1.23 0.60 0.00 0.10 0.00 0.00 66.02 65.39 3hji s SER 99 CO 0.30 -1.01 2.00 0.78 0.98 0.00 0.00 173.24 176.30 3hji h ASN 100 N 0.11 0.77 0.53 7.02 2.35 -1.97 -1.29 115.58 123.09 3hji h ASN 100 Ca -0.44 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.22 3hji h ASN 100 Cb 1.28 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 3hji h ASN 100 CO 0.56 0.55 -0.33 0.00 -1.65 0.00 0.00 177.43 176.56 3hji h ALA 101 N 1.58 1.23 0.00 -0.83 0.00 -1.94 -2.07 119.26 117.23 3hji h ALA 101 Ca 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hji h ALA 101 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hji h ALA 101 CO -0.06 0.41 -0.54 0.93 0.00 0.00 0.00 179.25 180.00 3hji h GLU 102 N 0.00 0.00 0.00 0.00 5.08 -1.63 -3.40 114.58 114.63 3hji h GLU 102 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 3hji h GLU 102 Cb 0.68 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 3hji h GLU 102 CO 0.04 0.00 -2.13 1.33 -1.00 0.00 0.00 179.01 177.26 3hji n VAL 103 N -2.43 1.12 -1.67 3.13 0.24 -0.86 -4.90 118.33 112.96 3hji n VAL 103 Ca 0.03 -0.36 -0.44 0.00 -2.04 0.00 0.00 64.34 61.52 3hji n VAL 103 Cb 0.48 -1.46 -0.02 0.00 -1.47 0.00 0.00 33.84 31.37 3hji n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hji n LEU 104 N -3.46 3.01 0.00 1.34 4.32 -0.79 -2.00 117.00 119.42 3hji n LEU 104 Ca -0.37 1.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.78 3hji n LEU 104 Cb 0.83 -1.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.21 3hji n LEU 104 CO 0.12 -0.63 0.00 0.61 -1.22 0.00 0.00 177.39 176.27 3hji n GLY 105 N 1.64 0.87 3.56 -0.72 0.00 0.12 -4.95 105.19 105.71 3hji n GLY 105 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3hji n GLY 105 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hji s ARG 106 N -0.14 2.06 0.26 1.61 3.52 -0.85 -4.68 118.95 120.74 3hji s ARG 106 Ca 0.00 -1.06 -0.29 0.00 -0.13 0.00 0.00 55.73 54.25 3hji s ARG 106 Cb 0.00 -2.27 -0.09 0.00 -1.56 0.00 0.00 34.95 31.03 3hji s ARG 106 CO 0.00 0.50 1.01 1.21 -0.81 0.00 0.00 175.30 177.21 3hji s ASN 107 N -2.20 7.46 0.06 -2.12 3.84 -1.26 -1.07 114.94 119.64 3hji s ASN 107 Ca 0.21 2.08 0.04 0.00 0.21 0.00 0.00 52.86 55.40 3hji s ASN 107 Cb -0.11 -2.62 0.22 0.00 -0.55 0.00 0.00 41.25 38.19 3hji s ASN 107 CO 0.13 0.01 1.09 0.00 -2.79 0.00 0.00 177.10 175.54 3hji h ARG 109 N 0.00 0.00 -0.10 0.00 0.11 -1.94 -2.62 114.38 109.83 3hji h ARG 109 Ca 0.00 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.11 3hji h ARG 109 Cb 0.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.16 3hji h ARG 109 CO 0.00 0.00 0.13 0.27 0.10 0.00 0.00 179.97 180.47 3hji h PHE 110 N 0.00 0.00 0.00 4.08 -5.15 -1.85 -0.32 116.94 113.70 3hji h PHE 110 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3hji h PHE 110 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.21 3hji h PHE 110 CO 0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 3hji n LEU 111 N -3.66 0.39 0.00 2.10 4.77 -0.99 -2.72 117.00 116.88 3hji n LEU 111 Ca -0.00 0.61 0.16 0.00 -0.03 0.00 0.00 56.01 56.74 3hji n LEU 111 Cb 0.23 -0.58 0.91 0.00 -2.33 0.00 0.00 43.42 41.65 3hji n LEU 111 CO 0.26 -0.50 1.09 0.00 -1.33 0.00 0.00 177.39 176.90 3hji n GLN 112 N -1.94 0.88 -4.22 3.23 6.02 -0.13 -0.11 117.38 121.10 3hji n GLN 112 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.84 3hji n GLN 112 Cb 0.17 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.78 3hji n GLN 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hji s SER 113 N -2.12 0.75 0.43 1.08 0.15 -1.10 -4.71 113.70 108.17 3hji s SER 113 Ca 0.44 -0.13 0.30 0.00 0.70 0.00 0.00 55.95 57.26 3hji s SER 113 Cb 0.22 -0.08 1.45 0.00 -1.71 0.00 0.00 66.02 65.90 3hji s SER 113 CO 0.39 0.07 1.90 1.55 1.20 0.00 0.00 173.24 178.35 3hji h PRO 114 N 5.95 0.00 -0.47 5.44 0.13 -1.86 0.02 132.00 141.21 3hji h PRO 114 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3hji h PRO 114 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hji h PRO 114 CO 0.50 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.87 3hji n ASP 115 N -2.60 3.45 -1.54 1.44 3.85 -1.26 -4.28 116.55 115.61 3hji n ASP 115 Ca -0.00 -1.96 -0.20 0.00 -0.71 0.00 0.00 54.79 51.91 3hji n ASP 115 Cb 0.14 -0.31 -0.09 0.00 -1.35 0.00 0.00 41.12 39.52 3hji n ASP 115 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hji n GLY 116 N 1.35 1.92 3.11 6.12 0.00 -0.01 -4.95 105.19 112.73 3hji n GLY 116 Ca 0.19 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3hji n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hji s MET 117 N -3.70 1.98 -0.18 1.61 -1.94 -1.26 -4.76 119.30 111.05 3hji s MET 117 Ca 0.00 -1.72 -0.03 0.00 -1.71 0.00 0.00 55.69 52.24 3hji s MET 117 Cb 0.00 -3.42 0.06 0.00 2.01 0.00 0.00 34.83 33.48 3hji s MET 117 CO 0.00 -0.95 0.03 0.08 -0.01 0.00 0.00 175.02 174.17 3hji s VAL 118 N 1.11 0.48 0.28 -6.03 1.01 -1.26 -4.85 120.40 111.14 3hji s VAL 118 Ca 0.06 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 3hji s VAL 118 Cb -0.21 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 3hji s VAL 118 CO -0.04 -0.16 0.89 -0.54 0.00 0.00 0.00 175.10 175.25 3hji s LYS 119 N 1.89 4.57 0.44 2.72 -0.14 -1.26 -4.77 119.74 123.18 3hji s LYS 119 Ca -0.00 1.26 -0.25 0.00 -1.36 0.00 0.00 55.97 55.63 3hji s LYS 119 Cb -0.16 -2.93 -0.09 0.00 -1.68 0.00 0.00 37.83 32.97 3hji s LYS 119 CO -0.08 0.36 1.23 -2.30 -0.76 0.00 0.00 175.35 173.81 3hji n PRO 120 N 0.82 1.80 -0.40 -1.68 -0.02 -1.26 -1.93 135.00 132.33 3hji n PRO 120 Ca -0.00 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3hji n PRO 120 Cb 0.50 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3hji n PRO 120 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hji n LYS 121 N -0.06 0.00 -1.68 -0.52 4.76 -1.26 -4.98 118.16 114.41 3hji n LYS 121 Ca 0.07 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.19 3hji n LYS 121 Cb 0.40 -2.92 0.05 0.00 -1.84 0.00 0.00 35.03 30.72 3hji n LYS 121 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hji s SER 122 N -2.89 5.06 -0.45 4.39 1.04 -0.81 -4.98 113.70 115.07 3hji s SER 122 Ca 0.00 1.94 -0.22 0.00 0.48 0.00 0.00 55.95 58.14 3hji s SER 122 Cb 0.00 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.60 3hji s SER 122 CO 0.00 -1.66 0.74 -0.89 0.98 0.00 0.00 173.24 172.41 3hji s THR 123 N -2.48 4.70 0.35 2.02 2.01 -1.26 -5.01 115.64 115.97 3hji s THR 123 Ca 0.65 0.32 -0.28 0.00 0.31 0.00 0.00 61.69 62.69 3hji s THR 123 Cb -0.19 -4.29 -0.11 0.00 0.01 0.00 0.00 72.50 67.92 3hji s THR 123 CO 0.44 -0.69 1.41 -0.13 -0.69 0.00 0.00 174.62 174.96 3hji s ARG 124 N 3.15 4.22 0.00 4.92 3.00 -1.26 -4.92 118.95 128.06 3hji s ARG 124 Ca 0.28 2.41 0.23 0.00 0.00 0.00 0.00 55.73 58.64 3hji s ARG 124 Cb -0.13 -3.02 0.10 0.00 0.00 0.00 0.00 34.95 31.91 3hji s ARG 124 CO 0.21 -0.38 1.13 0.36 0.00 0.00 0.00 175.30 176.63 3hji n LYS 125 N 0.68 0.00 0.00 3.54 0.00 -1.26 -4.24 118.16 116.88 3hji n LYS 125 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 3hji n LYS 125 Cb 0.40 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.93 3hji n LYS 125 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3hji n TYR 126 N -1.50 0.00 -5.08 5.58 4.01 -1.26 -5.04 117.16 113.87 3hji n TYR 126 Ca 0.05 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.50 3hji n TYR 126 Cb 0.33 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.20 3hji n TYR 126 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hji s VAL 127 N -0.04 1.74 0.05 -0.72 1.01 -1.26 -4.79 120.40 116.39 3hji s VAL 127 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 3hji s VAL 127 Cb 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.82 3hji s VAL 127 CO 0.00 0.49 1.95 -0.67 0.00 0.00 0.00 175.10 176.87 3hji n ASP 128 N 2.69 4.10 -0.37 3.32 -0.08 -1.26 -4.65 116.55 120.31 3hji n ASP 128 Ca -0.16 0.92 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 3hji n ASP 128 Cb 0.52 -1.52 0.15 0.00 2.34 0.00 0.00 41.12 42.61 3hji n ASP 128 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3hji h SER 129 N 10.13 1.09 -0.19 1.67 0.02 -1.99 -2.00 113.55 122.29 3hji h SER 129 Ca -0.49 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.38 3hji h SER 129 Cb 1.24 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 3hji h SER 129 CO 0.94 0.75 -0.08 -1.13 -1.14 0.00 0.00 176.83 176.18 3hji h ASN 130 N 1.27 0.51 0.00 3.07 -1.24 -1.99 -0.83 115.58 116.36 3hji h ASN 130 Ca 0.40 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.29 3hji h ASN 130 Cb -0.01 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 38.91 3hji h ASN 130 CO -0.12 0.63 -0.00 0.74 -1.29 0.00 0.00 177.43 177.39 3hji h THR 131 N 0.50 1.15 -0.89 -3.57 2.02 -1.77 0.94 112.91 111.29 3hji h THR 131 Ca 0.10 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.84 3hji h THR 131 Cb 0.44 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 3hji h THR 131 CO 0.02 0.11 0.58 0.40 0.37 0.00 0.00 175.52 177.01 3hji h ILE 132 N -0.19 1.23 -0.22 3.11 2.04 -1.17 -1.65 117.51 120.67 3hji h ILE 132 Ca -0.00 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 3hji h ILE 132 Cb 0.19 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 3hji h ILE 132 CO 0.00 0.23 -0.20 -1.13 0.00 0.00 0.00 178.15 177.05 3hji h ASN 133 N 1.22 0.38 -0.47 1.72 -1.24 -0.88 -0.76 115.58 115.55 3hji h ASN 133 Ca 0.33 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.18 3hji h ASN 133 Cb -0.12 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 3hji h ASN 133 CO -0.07 0.60 0.13 0.74 -1.29 0.00 0.00 177.43 177.55 3hji h THR 134 N 0.36 1.23 -0.17 -3.57 2.02 0.02 -0.78 112.91 112.02 3hji h THR 134 Ca 0.06 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 3hji h THR 134 Cb 0.56 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3hji h THR 134 CO 0.04 0.28 0.02 0.24 0.37 0.00 0.00 175.52 176.47 3hji h MET 135 N 0.63 0.28 -0.45 6.66 2.86 -1.00 -1.96 114.93 121.95 3hji h MET 135 Ca 0.15 -0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.79 3hji h MET 135 Cb 0.29 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 3hji h MET 135 CO -0.00 0.47 0.04 -0.09 1.06 0.00 0.00 176.91 178.39 3hji h ARG 136 N 0.05 0.16 -0.30 1.72 2.43 -0.97 -0.94 114.38 116.52 3hji h ARG 136 Ca 0.05 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 3hji h ARG 136 Cb 0.33 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3hji h ARG 136 CO 0.00 0.10 -0.35 0.87 -1.51 0.00 0.00 179.97 179.09 3hji h LYS 137 N 0.16 0.68 -0.28 0.20 1.57 -1.09 -2.29 116.57 115.52 3hji h LYS 137 Ca 0.22 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3hji h LYS 137 Cb 0.31 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3hji h LYS 137 CO -0.34 0.93 0.12 0.00 -0.57 0.00 0.00 179.45 179.59 3hji h ALA 138 N 1.04 0.36 -0.46 3.86 0.00 -0.88 -2.06 119.26 121.11 3hji h ALA 138 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hji h ALA 138 Cb 0.87 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hji h ALA 138 CO 0.08 -0.06 0.28 0.82 0.00 0.00 0.00 179.25 180.37 3hji h ILE 139 N 0.30 1.15 -0.09 0.00 2.04 -1.11 -0.49 117.51 119.30 3hji h ILE 139 Ca 0.09 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3hji h ILE 139 Cb 0.16 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3hji h ILE 139 CO -0.01 0.15 -0.00 0.44 0.00 0.00 0.00 178.15 178.73 3hji h ASP 140 N 0.62 0.11 -0.23 1.72 3.45 -1.27 -2.61 116.42 118.21 3hji h ASP 140 Ca 0.17 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3hji h ASP 140 Cb 0.00 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 3hji h ASP 140 CO -0.03 0.14 0.00 0.54 -1.57 0.00 0.00 179.24 178.32 3hji n ARG 141 N -4.45 2.36 -3.76 3.56 1.74 -0.79 -4.95 116.66 110.37 3hji n ARG 141 Ca -0.02 -2.02 -0.26 0.00 -0.77 0.00 0.00 57.85 54.78 3hji n ARG 141 Cb 0.14 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.14 3hji n ARG 141 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hji n ASN 142 N 1.31 -4.30 -4.56 0.55 3.02 -0.52 -4.97 115.26 105.79 3hji n ASN 142 Ca 0.17 -0.72 -0.34 0.00 -0.03 0.00 0.00 54.58 53.67 3hji n ASN 142 Cb 0.58 -4.29 -0.11 0.00 -0.61 0.00 0.00 39.78 35.34 3hji n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hji s ALA 143 N -3.38 3.03 0.54 5.41 0.00 -0.31 -4.81 121.76 122.24 3hji s ALA 143 Ca 0.47 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 51.37 3hji s ALA 143 Cb -0.23 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 3hji s ALA 143 CO 0.79 0.42 1.30 -1.21 0.00 0.00 0.00 175.76 177.06 3hji s GLU 144 N -0.31 3.23 0.05 0.00 2.02 -1.26 -4.48 118.70 117.95 3hji s GLU 144 Ca 0.05 2.09 -0.20 0.00 0.02 0.00 0.00 54.97 56.93 3hji s GLU 144 Cb -0.12 -2.24 0.04 0.00 0.10 0.00 0.00 34.13 31.91 3hji s GLU 144 CO 0.02 -1.07 0.47 0.54 0.02 0.00 0.00 175.26 175.24 3hji s VAL 145 N -1.39 0.04 -0.03 2.63 0.11 -0.92 -4.97 120.40 115.87 3hji s VAL 145 Ca 0.71 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 3hji s VAL 145 Cb -0.37 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.53 3hji s VAL 145 CO 0.43 -0.20 0.00 -1.58 -3.33 0.00 0.00 175.10 170.43 3hji s GLN 146 N -2.59 0.30 0.14 1.54 0.74 -1.26 -1.20 119.66 117.33 3hji s GLN 146 Ca -0.05 0.08 -0.04 0.00 0.05 0.00 0.00 55.36 55.40 3hji s GLN 146 Cb -0.01 -0.49 -0.03 0.00 1.10 0.00 0.00 33.01 33.59 3hji s GLN 146 CO -0.03 -0.14 0.15 0.14 -0.55 0.00 0.00 175.29 174.85 3hji s VAL 147 N 1.06 0.09 -0.22 1.34 -7.23 0.29 -5.00 120.40 110.73 3hji s VAL 147 Ca -0.09 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 58.36 3hji s VAL 147 Cb -0.13 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.88 3hji s VAL 147 CO -0.02 -0.42 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.68 3hji s GLU 148 N -4.01 3.22 -0.01 4.82 2.02 -1.26 -0.28 118.70 123.20 3hji s GLU 148 Ca 0.20 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.50 3hji s GLU 148 Cb 0.06 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 3hji s GLU 148 CO 0.00 -0.25 -0.12 0.54 0.02 0.00 0.00 175.26 175.45 3hji s VAL 149 N 1.43 0.95 0.06 2.63 0.11 0.11 -4.94 120.40 120.75 3hji s VAL 149 Ca 0.05 -0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 58.24 3hji s VAL 149 Cb -0.15 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 3hji s VAL 149 CO -0.04 0.24 1.13 -0.69 -3.33 0.00 0.00 175.10 172.41 3hji s VAL 150 N -0.33 4.22 0.27 2.04 1.01 -1.26 -0.29 120.40 126.05 3hji s VAL 150 Ca 0.04 1.63 0.02 0.00 0.00 0.00 0.00 61.98 63.67 3hji s VAL 150 Cb -0.05 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3hji s VAL 150 CO -0.00 0.15 0.10 0.20 0.00 0.00 0.00 175.10 175.55 3hji s ASN 151 N 0.87 1.33 -0.01 3.32 0.02 -0.00 -4.62 114.94 115.83 3hji s ASN 151 Ca 0.56 -1.40 0.01 0.00 -1.02 0.00 0.00 52.86 51.01 3hji s ASN 151 Cb -0.27 0.17 0.00 0.00 0.02 0.00 0.00 41.25 41.17 3hji s ASN 151 CO 0.30 -0.74 -0.05 -0.36 0.02 0.00 0.00 177.10 176.27 3hji s PHE 152 N -3.70 0.52 0.80 2.20 0.08 0.84 -1.23 117.98 117.49 3hji s PHE 152 Ca 0.37 -0.10 -0.12 0.00 0.12 0.00 0.00 56.93 57.20 3hji s PHE 152 Cb 0.08 -0.38 0.07 0.00 -0.57 0.00 0.00 43.02 42.22 3hji s PHE 152 CO 0.14 -0.05 1.13 0.15 -0.10 0.00 0.00 175.22 176.49 3hji s LYS 153 N 0.15 2.03 0.33 0.44 1.02 -0.05 -4.80 119.74 118.86 3hji s LYS 153 Ca -0.01 0.39 0.09 0.00 0.02 0.00 0.00 55.97 56.46 3hji s LYS 153 Cb -0.05 -1.93 0.84 0.00 -0.52 0.00 0.00 37.83 36.17 3hji s LYS 153 CO -0.00 -1.60 1.78 -0.22 -0.92 0.00 0.00 175.35 174.38 3hji h LYS 154 N -1.07 0.63 0.00 1.68 3.64 -0.63 0.29 116.57 121.12 3hji h LYS 154 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3hji h LYS 154 Cb 1.29 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3hji h LYS 154 CO 0.63 0.42 0.00 0.27 -2.27 0.00 0.00 179.45 178.50 3hji n ASN 155 N -4.73 0.00 0.00 4.20 2.04 -1.26 -4.86 115.26 110.65 3hji n ASN 155 Ca 0.24 -1.81 0.00 0.00 -0.44 0.00 0.00 54.58 52.57 3hji n ASN 155 Cb 0.65 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.90 3hji n ASN 155 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hji n GLY 156 N 0.59 0.78 3.68 4.83 0.00 0.10 -5.03 105.19 110.14 3hji n GLY 156 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3hji n GLY 156 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hji s GLN 157 N -0.44 4.23 0.35 1.61 0.74 -1.25 -4.67 119.66 120.23 3hji s GLN 157 Ca 0.00 2.13 -0.26 0.00 0.05 0.00 0.00 55.36 57.28 3hji s GLN 157 Cb 0.00 -3.70 -0.09 0.00 1.10 0.00 0.00 33.01 30.32 3hji s GLN 157 CO 0.00 -0.70 1.02 0.50 -0.55 0.00 0.00 175.29 175.56 3hji s ARG 158 N 2.95 4.39 0.11 1.67 3.52 -1.26 -0.87 118.95 129.45 3hji s ARG 158 Ca 0.69 1.50 -0.24 0.00 -0.13 0.00 0.00 55.73 57.54 3hji s ARG 158 Cb -0.34 -2.74 0.07 0.00 -1.56 0.00 0.00 34.95 30.37 3hji s ARG 158 CO 0.29 0.07 0.60 -0.59 -0.81 0.00 0.00 175.30 174.85 3hji s PHE 159 N -1.56 -0.54 -0.31 5.12 -0.71 -0.37 -4.95 117.98 114.67 3hji s PHE 159 Ca 0.53 0.49 -0.14 0.00 -1.04 0.00 0.00 56.93 56.76 3hji s PHE 159 Cb -0.22 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.05 3hji s PHE 159 CO 0.28 -0.78 0.33 0.08 -1.34 0.00 0.00 175.22 173.80 3hji s VAL 160 N -3.11 5.20 -0.28 -2.49 1.01 -1.26 -0.82 120.40 118.64 3hji s VAL 160 Ca -0.02 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 3hji s VAL 160 Cb -0.01 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3hji s VAL 160 CO -0.07 0.05 0.34 0.21 0.00 0.00 0.00 175.10 175.63 3hji s ASN 161 N 1.71 6.20 -0.67 3.32 2.47 0.60 -4.44 114.94 124.12 3hji s ASN 161 Ca 0.12 0.16 -0.20 0.00 0.42 0.00 0.00 52.86 53.35 3hji s ASN 161 Cb -0.16 -2.19 0.10 0.00 -1.45 0.00 0.00 41.25 37.54 3hji s ASN 161 CO 0.11 -0.19 0.87 0.12 -3.72 0.00 0.00 177.10 174.29 3hji s PHE 162 N 2.01 2.92 -0.18 0.43 5.99 0.63 -0.71 117.98 129.07 3hji s PHE 162 Ca 0.13 -0.90 -0.09 0.00 0.00 0.00 0.00 56.93 56.07 3hji s PHE 162 Cb -0.16 -4.15 -0.05 0.00 0.00 0.00 0.00 43.02 38.66 3hji s PHE 162 CO 0.10 -1.45 0.11 -1.17 -0.00 0.00 0.00 175.22 172.82 3hji s LEU 163 N 3.13 4.13 -0.10 6.12 2.96 0.62 -2.41 118.68 133.13 3hji s LEU 163 Ca 0.19 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.36 3hji s LEU 163 Cb -0.18 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.46 3hji s LEU 163 CO 0.05 0.22 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.20 3hji s THR 164 N 0.10 1.85 -0.08 3.68 2.01 -0.86 -0.55 115.64 121.79 3hji s THR 164 Ca 0.08 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.23 3hji s THR 164 Cb -0.11 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.77 3hji s THR 164 CO -0.00 0.51 -0.21 -0.04 -0.69 0.00 0.00 174.62 174.19 3hji s MET 165 N 0.56 2.55 -0.08 4.92 -1.94 -0.34 -0.57 119.30 124.39 3hji s MET 165 Ca -0.15 -0.75 0.02 0.00 -1.71 0.00 0.00 55.69 53.10 3hji s MET 165 Cb -0.17 -2.00 0.01 0.00 2.01 0.00 0.00 34.83 34.68 3hji s MET 165 CO 0.05 0.18 -0.13 0.42 -0.01 0.00 0.00 175.02 175.53 3hji s ILE 166 N 0.31 1.25 0.58 2.53 -1.09 -0.28 -2.18 121.20 122.32 3hji s ILE 166 Ca -0.14 -0.52 -0.19 0.00 -2.23 0.00 0.00 60.65 57.57 3hji s ILE 166 Cb -0.16 -1.15 -0.04 0.00 -1.58 0.00 0.00 42.46 39.52 3hji s ILE 166 CO 0.06 0.39 1.16 -2.16 -1.23 0.00 0.00 174.94 173.16 3hji s PRO 167 N 0.86 3.14 -0.03 2.79 0.04 -1.26 -0.75 135.00 139.79 3hji s PRO 167 Ca -0.10 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.65 3hji s PRO 167 Cb -0.15 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3hji s PRO 167 CO 0.01 -1.04 -0.12 0.08 0.04 0.00 0.00 177.00 175.98 3hji s VAL 168 N -1.75 1.00 0.02 -0.36 1.01 0.14 -4.84 120.40 115.62 3hji s VAL 168 Ca 0.74 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 3hji s VAL 168 Cb -0.26 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 3hji s VAL 168 CO 0.31 0.30 0.49 -0.13 0.00 0.00 0.00 175.10 176.07 3hji s ARG 169 N 0.10 4.10 0.00 2.72 0.52 -1.26 -1.23 118.95 123.90 3hji s ARG 169 Ca -0.03 0.57 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 3hji s ARG 169 Cb -0.09 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.12 3hji s ARG 169 CO 0.01 0.60 0.00 -0.40 0.02 0.00 0.00 175.30 175.53 3hji n ASP 170 N 2.02 0.00 0.27 0.23 5.68 -1.09 -4.87 116.55 118.80 3hji n ASP 170 Ca -0.11 -0.56 0.18 0.00 -0.50 0.00 0.00 54.79 53.79 3hji n ASP 170 Cb 0.52 0.00 0.96 0.00 -1.14 0.00 0.00 41.12 41.45 3hji n ASP 170 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hji h GLU 171 N 0.00 0.00 0.00 0.11 4.39 -1.99 -0.04 114.58 117.06 3hji h GLU 171 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hji h GLU 171 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hji h GLU 171 CO 0.00 0.00 0.00 1.79 -1.16 0.00 0.00 179.01 179.64 3hji h THR 172 N 0.00 0.00 0.00 1.13 1.35 -2.03 -3.47 112.91 109.90 3hji h THR 172 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3hji h THR 172 Cb 0.04 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3hji h THR 172 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3hji n GLY 173 N 1.23 0.73 3.69 5.82 0.00 -0.03 -5.06 105.19 111.58 3hji n GLY 173 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3hji n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hji s GLU 174 N -0.55 2.53 0.02 1.61 2.02 -1.26 -4.85 118.70 118.22 3hji s GLU 174 Ca 0.00 -0.91 -0.33 0.00 0.02 0.00 0.00 54.97 53.75 3hji s GLU 174 Cb 0.00 -2.50 -0.12 0.00 0.10 0.00 0.00 34.13 31.61 3hji s GLU 174 CO 0.00 0.51 1.82 0.66 0.02 0.00 0.00 175.26 178.28 3hji n TYR 175 N 0.32 2.40 0.00 1.61 4.01 -1.26 -2.69 117.16 121.56 3hji n TYR 175 Ca -0.10 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3hji n TYR 175 Cb 0.53 -2.67 0.00 0.00 -0.31 0.00 0.00 39.34 36.89 3hji n TYR 175 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3hji n ARG 176 N 5.89 2.41 -4.47 -0.72 3.00 -0.37 -4.92 116.66 117.49 3hji n ARG 176 Ca 0.20 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.82 3hji n ARG 176 Cb 0.32 -0.80 -0.10 0.00 0.00 0.00 0.00 32.46 31.89 3hji n ARG 176 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3hji s TYR 177 N -1.61 1.84 -0.03 -0.14 1.51 -0.87 -1.19 117.35 116.88 3hji s TYR 177 Ca 0.00 -1.11 0.01 0.00 -1.01 0.00 0.00 57.07 54.96 3hji s TYR 177 Cb 0.00 -1.20 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 3hji s TYR 177 CO 0.00 -0.15 -0.03 0.45 -1.11 0.00 0.00 175.55 174.72 3hji s SER 178 N -3.52 0.59 -0.17 2.29 0.15 -0.83 0.25 113.70 112.46 3hji s SER 178 Ca 0.31 -0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.84 3hji s SER 178 Cb 0.06 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 3hji s SER 178 CO 0.15 -0.04 -0.02 -0.32 1.20 0.00 0.00 173.24 174.21 3hji s MET 179 N 0.66 3.67 -0.07 5.44 1.75 0.07 -1.17 119.30 129.66 3hji s MET 179 Ca -0.07 -0.51 0.02 0.00 -1.25 0.00 0.00 55.69 53.87 3hji s MET 179 Cb -0.11 -3.00 -0.03 0.00 2.84 0.00 0.00 34.83 34.54 3hji s MET 179 CO -0.01 0.15 -0.09 0.20 -0.65 0.00 0.00 175.02 174.62 3hji s GLY 180 N 0.62 1.64 -0.22 2.11 0.00 -0.17 -1.12 107.32 110.17 3hji s GLY 180 Ca -0.01 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.81 3hji s GLY 180 CO 0.02 -0.66 -0.15 -1.36 0.00 0.00 0.00 173.10 170.95 3hji s PHE 181 N -0.70 3.02 0.04 1.90 0.08 0.27 -1.37 117.98 121.21 3hji s PHE 181 Ca 0.11 -1.96 -0.08 0.00 0.12 0.00 0.00 56.93 55.11 3hji s PHE 181 Cb -0.11 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.36 3hji s PHE 181 CO 0.01 -0.84 0.32 -0.65 -0.10 0.00 0.00 175.22 173.96 3hji s GLN 182 N 1.20 3.65 -0.06 0.44 1.11 -0.91 -2.04 119.66 123.06 3hji s GLN 182 Ca -0.02 0.02 -0.02 0.00 0.01 0.00 0.00 55.36 55.35 3hji s GLN 182 Cb -0.16 -3.05 0.04 0.00 -1.01 0.00 0.00 33.01 28.83 3hji s GLN 182 CO -0.09 0.61 0.10 0.00 0.01 0.00 0.00 175.29 175.93