#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psj h LEU 2 N 0.00 0.24 -0.84 1.04 3.38 -1.61 -1.31 115.31 116.22 1psj h LEU 2 Ca 0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1psj h LEU 2 Cb 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1psj h LEU 2 CO 0.00 0.31 0.04 0.40 0.09 0.00 0.00 178.44 179.28 1psj h ILE 3 N 0.26 1.25 -0.37 1.22 2.04 -1.96 -1.26 117.51 118.69 1psj h ILE 3 Ca 0.06 -1.02 -0.16 0.00 1.00 0.00 0.00 64.86 64.75 1psj h ILE 3 Cb 0.22 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1psj h ILE 3 CO 0.01 0.37 -0.39 1.56 0.00 0.00 0.00 178.15 179.69 1psj h GLN 4 N 0.85 0.90 -0.37 2.37 4.20 -1.68 -2.40 115.11 118.98 1psj h GLN 4 Ca 0.17 -0.47 0.05 0.00 0.06 0.00 0.00 58.65 58.45 1psj h GLN 4 Cb 0.45 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 1psj h GLN 4 CO 0.02 1.12 0.11 0.35 -0.67 0.00 0.00 178.83 179.76 1psj h PHE 5 N 0.73 0.20 -0.91 2.96 3.57 -0.98 0.48 116.94 122.99 1psj h PHE 5 Ca 0.06 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.73 1psj h PHE 5 Cb 0.98 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.59 1psj h PHE 5 CO 0.06 0.07 0.51 1.49 -2.23 0.00 0.00 178.31 178.22 1psj h GLU 6 N 0.26 0.71 -0.36 1.11 4.57 -1.14 -1.00 114.58 118.73 1psj h GLU 6 Ca 0.17 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 1psj h GLU 6 Cb 0.17 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1psj h GLU 6 CO -0.19 0.47 0.10 1.15 -1.18 0.00 0.00 179.01 179.37 1psj h THR 7 N 0.73 1.21 -0.50 0.32 2.02 -0.65 -0.41 112.91 115.64 1psj h THR 7 Ca 0.49 -0.71 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 1psj h THR 7 Cb 0.66 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1psj h THR 7 CO -0.34 0.24 -0.08 -0.07 0.37 0.00 0.00 175.52 175.64 1psj h LEU 8 N 0.43 0.89 -0.31 2.58 4.07 -0.21 0.52 115.31 123.27 1psj h LEU 8 Ca 0.11 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.78 1psj h LEU 8 Cb 0.27 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1psj h LEU 8 CO -0.00 0.99 0.08 0.40 -1.08 0.00 0.00 178.44 178.83 1psj h ILE 9 N 0.81 1.21 -0.64 1.22 2.04 -0.97 0.36 117.51 121.55 1psj h ILE 9 Ca 0.14 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1psj h ILE 9 Cb 0.59 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1psj h ILE 9 CO 0.04 0.24 0.40 0.24 0.00 0.00 0.00 178.15 179.07 1psj h MET 10 N 0.34 0.78 -0.13 2.37 2.86 -0.75 0.01 114.93 120.41 1psj h MET 10 Ca 0.10 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1psj h MET 10 Cb 0.28 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1psj h MET 10 CO -0.00 0.51 -0.07 0.87 1.06 0.00 0.00 176.91 179.29 1psj h LYS 11 N 0.80 0.28 0.05 1.72 1.57 -0.63 -2.24 116.57 118.13 1psj h LYS 11 Ca 0.25 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1psj h LYS 11 Cb -0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1psj h LYS 11 CO -0.09 0.62 -0.58 0.28 -0.57 0.00 0.00 179.45 179.11 1psj h VAL 12 N -0.06 1.49 -0.00 0.50 2.07 -0.91 -3.37 116.25 115.96 1psj h VAL 12 Ca 0.03 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1psj h VAL 12 Cb 0.54 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1psj h VAL 12 CO 0.02 0.60 -0.69 0.00 0.02 0.00 0.00 177.57 177.52 1psj n ALA 13 N -2.80 4.02 -3.67 1.67 0.00 -0.03 -4.89 120.51 114.81 1psj n ALA 13 Ca -0.16 -0.47 -0.25 0.00 0.00 0.00 0.00 53.44 52.56 1psj n ALA 13 Cb 0.65 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 19.20 1psj n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1psj n LYS 14 N -1.36 -7.08 -3.82 0.00 5.02 -0.84 -4.91 118.16 105.17 1psj n LYS 14 Ca 0.06 0.76 -0.10 0.00 -2.02 0.00 0.00 58.31 57.01 1psj n LYS 14 Cb 0.34 -5.75 -0.08 0.00 -0.02 0.00 0.00 35.03 29.52 1psj n LYS 14 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1psj s LYS 16 N -6.27 0.77 -0.00 1.97 -0.14 -1.25 -5.01 119.74 109.81 1psj s LYS 16 Ca 0.51 -0.70 -0.26 0.00 -1.36 0.00 0.00 55.97 54.17 1psj s LYS 16 Cb -0.24 0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 36.19 1psj s LYS 16 CO 0.76 -0.24 0.82 0.45 -0.76 0.00 0.00 175.35 176.38 1psj s SER 17 N -2.32 7.20 0.12 2.83 0.15 -1.26 -3.08 113.70 117.34 1psj s SER 17 Ca -0.02 1.44 -0.11 0.00 0.70 0.00 0.00 55.95 57.96 1psj s SER 17 Cb 0.01 -2.49 -0.12 0.00 -1.71 0.00 0.00 66.02 61.71 1psj s SER 17 CO -0.06 -0.11 1.33 1.23 1.20 0.00 0.00 173.24 176.83 1psj h GLY 18 N 6.34 0.83 1.66 9.45 0.00 -1.92 -1.82 103.07 117.62 1psj h GLY 18 Ca -0.42 -1.15 -0.09 0.00 0.00 0.00 0.00 47.33 45.66 1psj h GLY 18 CO 0.74 1.03 -0.27 1.98 0.00 0.00 0.00 176.54 180.01 1psj h MET 19 N 0.52 0.39 0.05 4.80 1.85 -1.91 0.62 114.93 121.25 1psj h MET 19 Ca -0.04 -0.15 -0.07 0.00 -0.61 0.00 0.00 59.70 58.83 1psj h MET 19 Cb 1.37 -0.02 0.01 0.00 0.43 0.00 0.00 31.60 33.39 1psj h MET 19 CO 0.15 0.64 -0.31 0.35 -0.40 0.00 0.00 176.91 177.34 1psj h PHE 20 N 0.35 0.21 0.00 1.39 3.57 -1.96 -3.35 116.94 117.15 1psj h PHE 20 Ca 0.05 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1psj h PHE 20 Cb 0.66 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1psj h PHE 20 CO 0.02 1.11 -1.36 0.91 -2.23 0.00 0.00 178.31 176.76 1psj n TRP 21 N -4.43 0.11 -1.48 0.41 7.02 -0.69 -4.59 117.44 113.80 1psj n TRP 21 Ca -0.11 0.03 0.06 0.00 -1.02 0.00 0.00 57.50 56.46 1psj n TRP 21 Cb 0.61 -0.34 0.08 0.00 -2.42 0.00 0.00 31.31 29.24 1psj n TRP 21 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1psj n TYR 22 N -1.95 0.00 0.82 -5.99 4.01 0.20 -4.76 117.16 109.48 1psj n TYR 22 Ca 0.00 -0.60 0.10 0.00 -0.16 0.00 0.00 57.90 57.25 1psj n TYR 22 Cb 0.45 -0.11 -0.11 0.00 -0.31 0.00 0.00 39.34 39.26 1psj n TYR 22 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1psj n SER 23 N -0.82 0.81 -2.89 7.72 3.41 -1.13 -3.58 113.62 117.14 1psj n SER 23 Ca 0.09 -0.78 -0.13 0.00 -0.26 0.00 0.00 58.87 57.79 1psj n SER 23 Cb 0.67 1.13 0.03 0.00 -0.26 0.00 0.00 64.21 65.79 1psj n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1psj n ASN 24 N -1.64 -1.56 -4.18 4.04 5.15 -0.98 -3.99 115.26 112.10 1psj n ASN 24 Ca 0.03 -3.30 -0.30 0.00 -0.60 0.00 0.00 54.58 50.41 1psj n ASN 24 Cb 0.37 1.05 -0.17 0.00 -0.53 0.00 0.00 39.78 40.50 1psj n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1psj s TYR 25 N -0.31 2.24 0.00 1.20 6.14 -0.44 -1.42 117.35 124.76 1psj s TYR 25 Ca 0.30 -0.85 0.00 0.00 0.64 0.00 0.00 57.07 57.17 1psj s TYR 25 Cb 0.26 -1.51 0.00 0.00 0.42 0.00 0.00 41.96 41.13 1psj s TYR 25 CO -0.13 -0.34 0.00 0.41 0.64 0.00 0.00 175.55 176.13 1psj n GLY 26 N 3.47 0.69 0.15 8.97 0.00 -0.28 -1.70 105.19 116.49 1psj n GLY 26 Ca -0.20 -0.81 0.10 0.00 0.00 0.00 0.00 46.02 45.12 1psj n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psj n TYR 28 N -2.88 0.00 -2.76 0.00 4.01 -1.25 -3.63 117.16 110.66 1psj n TYR 28 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1psj n TYR 28 Cb 0.58 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.57 1psj n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1psj n GLY 30 N 5.38 0.32 3.77 0.00 0.00 -1.23 -1.32 105.19 112.11 1psj n GLY 30 Ca -0.00 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1psj n GLY 30 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1psj s TRP 31 N -1.20 3.16 0.00 1.61 -0.11 -1.26 -4.76 118.94 116.37 1psj s TRP 31 Ca 0.00 1.53 0.00 0.00 1.22 0.00 0.00 56.10 58.85 1psj s TRP 31 Cb 0.00 -3.48 0.00 0.00 -1.50 0.00 0.00 33.47 28.49 1psj s TRP 31 CO 0.00 -1.37 0.00 0.41 -4.62 0.00 0.00 176.95 171.37 1psj n GLY 32 N 0.81 0.60 0.00 5.86 0.00 -1.26 -5.03 105.19 106.17 1psj n GLY 32 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1psj n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1psj n GLY 33 N 0.00 3.50 3.58 -0.02 0.00 -1.26 -4.70 105.19 106.29 1psj n GLY 33 Ca 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1psj n GLY 33 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1psj s GLN 34 N -2.27 1.46 1.68 1.61 -2.07 -1.24 -5.02 119.66 113.81 1psj s GLN 34 Ca 0.00 -0.80 0.00 0.00 -1.82 0.00 0.00 55.36 52.74 1psj s GLN 34 Cb 0.00 0.56 0.00 0.00 -1.09 0.00 0.00 33.01 32.48 1psj s GLN 34 CO 0.00 -0.64 0.00 0.41 -1.32 0.00 0.00 175.29 173.74 1psj n GLY 35 N -0.38 -1.10 3.85 2.60 0.00 -1.21 -4.76 105.19 104.19 1psj n GLY 35 Ca -0.10 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 1psj n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1psj s ARG 36 N 0.00 3.69 0.08 1.61 0.52 -1.21 -2.90 118.95 120.74 1psj s ARG 36 Ca 0.00 0.07 -0.35 0.00 -0.52 0.00 0.00 55.73 54.93 1psj s ARG 36 Cb 0.00 -3.23 -0.15 0.00 0.52 0.00 0.00 34.95 32.10 1psj s ARG 36 CO 0.00 0.69 1.56 -2.30 0.02 0.00 0.00 175.30 175.27 1psj n PRO 37 N 2.10 1.80 0.03 3.54 -0.02 -1.26 -4.65 135.00 136.53 1psj n PRO 37 Ca -0.17 0.65 -0.09 0.00 -2.02 0.00 0.00 63.50 61.87 1psj n PRO 37 Cb 0.54 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 1psj n PRO 37 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1psj h GLN 38 N 6.03 0.04 0.00 -0.52 1.08 -1.96 -3.46 115.11 116.32 1psj h GLN 38 Ca -0.46 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 56.63 1psj h GLN 38 Cb 1.28 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.74 1psj h GLN 38 CO 0.87 0.83 0.01 -0.40 -0.95 0.00 0.00 178.83 179.19 1psj n ASP 39 N -3.26 -0.35 -0.03 1.46 5.75 -1.26 -5.03 116.55 113.83 1psj n ASP 39 Ca -0.09 -1.34 -0.12 0.00 -0.01 0.00 0.00 54.79 53.23 1psj n ASP 39 Cb 1.00 0.61 -0.06 0.00 -1.03 0.00 0.00 41.12 41.64 1psj n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1psj h ALA 40 N 1.76 0.16 -0.86 2.12 0.00 -1.94 -0.41 119.26 120.10 1psj h ALA 40 Ca -0.06 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1psj h ALA 40 Cb 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1psj h ALA 40 CO 0.08 -0.19 0.56 1.15 0.00 0.00 0.00 179.25 180.85 1psj h THR 41 N -0.03 1.08 -0.15 0.00 2.02 -1.92 -1.24 112.91 112.67 1psj h THR 41 Ca 0.04 -0.34 -0.15 0.00 0.77 0.00 0.00 66.41 66.72 1psj h THR 41 Cb 0.29 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1psj h THR 41 CO 0.00 0.18 -0.55 -0.78 0.37 0.00 0.00 175.52 174.75 1psj h ASP 42 N 0.99 0.49 -0.01 4.18 3.58 -1.77 -1.91 116.42 121.97 1psj h ASP 42 Ca 0.36 -0.26 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 1psj h ASP 42 Cb 0.16 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1psj h ASP 42 CO -0.12 0.94 -0.26 -0.09 -2.88 0.00 0.00 179.24 176.83 1psj h ARG 43 N 0.34 0.42 -1.00 0.28 2.43 0.00 -0.17 114.38 116.69 1psj h ARG 43 Ca 0.01 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1psj h ARG 43 Cb 1.07 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.53 1psj h ARG 43 CO 0.10 0.65 0.66 0.00 -1.51 0.00 0.00 179.97 179.87 1psj h PHE 46 N 0.82 0.17 -0.88 0.00 3.57 -0.68 -1.01 116.94 118.94 1psj h PHE 46 Ca 0.10 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1psj h PHE 46 Cb 0.84 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 1psj h PHE 46 CO 0.06 0.15 0.47 0.28 -2.23 0.00 0.00 178.31 177.04 1psj h VAL 47 N 0.15 1.26 -0.66 1.41 2.07 -0.94 -1.09 116.25 118.44 1psj h VAL 47 Ca 0.05 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1psj h VAL 47 Cb 0.03 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 1psj h VAL 47 CO -0.01 0.29 0.37 -0.74 0.02 0.00 0.00 177.57 177.51 1psj h HIS 48 N 1.23 0.90 -0.55 1.57 -0.00 -1.16 0.97 115.15 118.11 1psj h HIS 48 Ca 0.31 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.72 1psj h HIS 48 Cb 0.04 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.11 1psj h HIS 48 CO 0.01 0.63 0.26 -0.44 -0.00 0.00 0.00 177.93 178.38 1psj h ASP 49 N 0.90 0.34 -0.62 3.26 3.32 -0.68 -1.12 116.42 121.82 1psj h ASP 49 Ca 0.23 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 1psj h ASP 49 Cb 0.02 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1psj h ASP 49 CO -0.04 0.23 0.15 0.00 -1.72 0.00 0.00 179.24 177.86 1psj h TYR 52 N 0.18 0.73 0.00 0.00 -1.99 -1.02 -1.92 116.97 112.95 1psj h TYR 52 Ca 0.06 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1psj h TYR 52 Cb 0.04 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.55 1psj h TYR 52 CO -0.05 0.60 -0.04 0.78 -0.00 0.00 0.00 178.16 179.45 1psj h GLY 53 N 0.88 0.00 -1.84 3.88 0.00 -0.24 -2.46 103.07 103.30 1psj h GLY 53 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1psj h GLY 53 CO -0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.81 1psj n LYS 54 N -3.37 2.09 -2.53 4.80 5.02 -0.73 -4.89 118.16 118.55 1psj n LYS 54 Ca -0.02 -1.92 -0.43 0.00 -2.02 0.00 0.00 58.31 53.93 1psj n LYS 54 Cb 0.16 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1psj n LYS 54 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1psj s VAL 55 N -1.60 4.34 -0.02 -0.18 1.01 -0.93 -5.01 120.40 118.01 1psj s VAL 55 Ca 0.28 1.54 0.06 0.00 0.00 0.00 0.00 61.98 63.87 1psj s VAL 55 Cb 0.19 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1psj s VAL 55 CO 0.27 -0.43 -0.20 0.42 0.00 0.00 0.00 175.10 175.16 1psj s THR 56 N 3.91 2.58 0.00 3.92 -4.23 -1.26 -4.70 115.64 115.85 1psj s THR 56 Ca 0.51 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1psj s THR 56 Cb -0.15 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1psj s THR 56 CO 0.18 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.42 1psj n GLY 59 N 2.24 1.93 2.49 3.99 0.00 -1.26 -4.96 105.19 109.62 1psj n GLY 59 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 1psj n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psj s ASP 67 N -2.41 3.28 0.58 0.00 2.15 -1.26 -5.00 116.67 114.02 1psj s ASP 67 Ca 0.11 -0.83 0.36 0.00 0.43 0.00 0.00 52.55 52.62 1psj s ASP 67 Cb -0.03 -1.20 1.68 0.00 -0.30 0.00 0.00 42.92 43.07 1psj s ASP 67 CO 0.07 -0.14 2.10 -0.65 -0.17 0.00 0.00 175.17 176.38 1psj h PRO 68 N 7.99 0.00 0.05 4.34 0.11 -1.92 -0.39 132.00 142.18 1psj h PRO 68 Ca -0.28 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.73 1psj h PRO 68 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1psj h PRO 68 CO 0.47 0.02 -0.49 -0.22 -0.21 0.00 0.00 178.00 177.57 1psj h LYS 69 N 0.00 0.10 0.00 1.05 3.64 -1.94 -3.37 116.57 116.05 1psj h LYS 69 Ca -0.00 -0.18 -0.14 0.00 -1.27 0.00 0.00 60.65 59.06 1psj h LYS 69 Cb 0.35 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1psj h LYS 69 CO 0.00 1.08 -2.02 -1.33 -2.27 0.00 0.00 179.45 174.92 1psj n MET 70 N -4.40 0.82 -2.44 1.90 2.81 -1.14 -2.25 117.12 112.42 1psj n MET 70 Ca -0.15 -0.10 -0.37 0.00 -1.81 0.00 0.00 57.70 55.27 1psj n MET 70 Cb 0.63 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.66 1psj n MET 70 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1psj s ASP 71 N -4.61 6.69 -0.23 7.83 1.01 -0.17 -4.63 116.67 122.56 1psj s ASP 71 Ca -0.08 2.17 -0.12 0.00 0.71 0.00 0.00 52.55 55.24 1psj s ASP 71 Cb 0.09 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 1psj s ASP 71 CO 0.76 -0.55 0.21 -0.69 0.21 0.00 0.00 175.17 175.11 1psj s VAL 72 N -1.53 5.33 0.46 -1.27 1.01 -1.26 0.57 120.40 123.71 1psj s VAL 72 Ca 0.57 0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.91 1psj s VAL 72 Cb -0.26 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1psj s VAL 72 CO 0.33 0.34 0.37 -0.72 0.00 0.00 0.00 175.10 175.41 1psj s TYR 73 N 1.03 2.30 0.05 5.22 -0.85 -1.26 -4.93 117.35 118.91 1psj s TYR 73 Ca 0.10 -0.63 0.06 0.00 -0.52 0.00 0.00 57.07 56.08 1psj s TYR 73 Cb -0.13 -2.06 -0.04 0.00 0.38 0.00 0.00 41.96 40.11 1psj s TYR 73 CO 0.05 -0.23 -0.12 0.45 -1.52 0.00 0.00 175.55 174.18 1psj s SER 74 N -4.16 4.25 0.14 -0.18 0.15 -1.26 -5.00 113.70 107.64 1psj s SER 74 Ca 0.43 -0.33 -0.17 0.00 0.70 0.00 0.00 55.95 56.59 1psj s SER 74 Cb -0.02 -0.83 0.04 0.00 -1.71 0.00 0.00 66.02 63.50 1psj s SER 74 CO 0.25 0.24 0.44 0.72 1.20 0.00 0.00 173.24 176.09 1psj s PHE 75 N -1.04 -0.20 0.21 3.44 -0.71 -1.26 -1.18 117.98 117.23 1psj s PHE 75 Ca 0.18 -0.11 0.01 0.00 -1.04 0.00 0.00 56.93 55.96 1psj s PHE 75 Cb -0.11 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 41.96 1psj s PHE 75 CO 0.09 -0.75 0.06 -1.54 -1.34 0.00 0.00 175.22 171.73 1psj s SER 76 N -2.82 1.01 -0.10 1.98 1.04 -0.08 -4.93 113.70 109.81 1psj s SER 76 Ca 0.04 -1.29 0.04 0.00 0.48 0.00 0.00 55.95 55.23 1psj s SER 76 Cb 0.01 0.18 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 1psj s SER 76 CO -0.10 -0.68 -0.24 -1.61 0.98 0.00 0.00 173.24 171.60 1psj s GLU 77 N -4.00 3.00 -0.01 4.02 2.02 -1.26 -0.53 118.70 121.95 1psj s GLU 77 Ca 0.31 -0.87 -0.28 0.00 0.02 0.00 0.00 54.97 54.15 1psj s GLU 77 Cb 0.07 -2.30 0.10 0.00 0.10 0.00 0.00 34.13 32.09 1psj s GLU 77 CO 0.09 0.21 0.82 -1.83 0.02 0.00 0.00 175.26 174.56 1psj s GLU 78 N 0.27 0.91 -1.10 1.61 -1.05 -0.65 -4.94 118.70 113.74 1psj s GLU 78 Ca -0.16 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 1psj s GLU 78 Cb -0.17 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1psj s GLU 78 CO 0.08 -0.37 0.00 0.09 0.95 0.00 0.00 175.26 176.02 1psj n ASN 79 N 0.08 -3.91 -1.00 0.83 3.02 -1.26 -1.07 115.26 111.96 1psj n ASN 79 Ca -0.12 0.20 -0.11 0.00 -0.03 0.00 0.00 54.58 54.52 1psj n ASN 79 Cb 0.61 -3.35 -0.03 0.00 -0.61 0.00 0.00 39.78 36.40 1psj n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1psj n GLY 80 N -0.75 0.80 3.28 7.41 0.00 -1.26 -5.06 105.19 109.61 1psj n GLY 80 Ca -0.15 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 1psj n GLY 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1psj s ASP 81 N -2.75 1.23 -0.05 1.61 2.15 -0.23 -5.13 116.67 113.50 1psj s ASP 81 Ca 0.00 -1.28 -0.24 0.00 0.43 0.00 0.00 52.55 51.46 1psj s ASP 81 Cb 0.00 0.13 -0.04 0.00 -0.30 0.00 0.00 42.92 42.72 1psj s ASP 81 CO 0.00 -0.65 0.74 -0.63 -0.17 0.00 0.00 175.17 174.46 1psj s ILE 82 N -3.69 5.01 -0.22 4.11 -1.09 -1.26 -1.64 121.20 122.42 1psj s ILE 82 Ca 0.31 1.53 0.01 0.00 -2.23 0.00 0.00 60.65 60.28 1psj s ILE 82 Cb 0.07 -4.08 0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1psj s ILE 82 CO 0.09 0.24 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.21 1psj s VAL 83 N 0.80 2.26 0.06 2.92 1.01 0.31 -4.97 120.40 122.79 1psj s VAL 83 Ca 0.40 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1psj s VAL 83 Cb -0.18 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1psj s VAL 83 CO 0.20 0.32 0.92 0.00 0.00 0.00 0.00 175.10 176.53 1psj n GLY 85 N 2.49 5.39 0.00 0.00 0.00 -0.33 -4.95 105.19 107.79 1psj n GLY 85 Ca 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1psj n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1psj n GLY 86 N 1.28 0.38 1.03 -0.02 0.00 -1.26 -4.40 105.19 102.20 1psj n GLY 86 Ca 0.00 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 44.16 1psj n GLY 86 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1psj n ASP 88 N -0.29 3.23 -4.32 1.61 5.75 -1.26 -4.89 116.55 116.38 1psj n ASP 88 Ca 0.00 -1.95 -0.37 0.00 -0.01 0.00 0.00 54.79 52.46 1psj n ASP 88 Cb 0.00 -0.18 -0.13 0.00 -1.03 0.00 0.00 41.12 39.78 1psj n ASP 88 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1psj s ASP 89 N -1.51 4.96 0.36 -1.12 -1.08 -1.26 -5.00 116.67 112.03 1psj s ASP 89 Ca 0.34 -0.71 0.09 0.00 -0.52 0.00 0.00 52.55 51.75 1psj s ASP 89 Cb 0.21 -1.84 0.67 0.00 -1.46 0.00 0.00 42.92 40.50 1psj s ASP 89 CO 0.29 -0.17 1.84 1.55 0.52 0.00 0.00 175.17 179.20 1psj h PRO 90 N 8.19 0.21 -0.29 4.34 0.13 -1.94 -2.16 132.00 140.48 1psj h PRO 90 Ca -0.32 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.64 1psj h PRO 90 Cb 1.13 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1psj h PRO 90 CO 0.60 0.45 -0.26 0.00 -0.23 0.00 0.00 178.00 178.56 1psj h LYS 92 N 0.50 0.00 -0.45 0.00 1.57 -1.83 -2.30 116.57 114.06 1psj h LYS 92 Ca 0.07 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1psj h LYS 92 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1psj h LYS 92 CO 0.05 0.80 0.04 -0.22 -0.57 0.00 0.00 179.45 179.56 1psj h LYS 93 N 0.00 0.72 -0.04 3.15 3.64 -1.16 -2.51 116.57 120.37 1psj h LYS 93 Ca -0.01 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 1psj h LYS 93 Cb 1.41 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1psj h LYS 93 CO 0.10 0.71 -0.48 1.05 -2.27 0.00 0.00 179.45 178.56 1psj h GLU 94 N 0.68 0.09 -0.40 1.90 4.11 -0.74 -0.79 114.58 119.43 1psj h GLU 94 Ca 0.14 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.53 1psj h GLU 94 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1psj h GLU 94 CO 0.01 0.55 0.25 0.82 0.07 0.00 0.00 179.01 180.71 1psj h ILE 95 N 0.07 1.12 -0.55 -1.06 2.04 -1.30 -1.79 117.51 116.05 1psj h ILE 95 Ca 0.00 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1psj h ILE 95 Cb 0.88 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1psj h ILE 95 CO 0.07 0.12 0.32 0.00 0.00 0.00 0.00 178.15 178.66 1psj h GLU 97 N 0.63 1.15 -0.27 0.00 4.39 -0.75 0.32 114.58 120.05 1psj h GLU 97 Ca 0.23 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.78 1psj h GLU 97 Cb 0.05 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1psj h GLU 97 CO -0.11 0.90 0.09 0.00 -1.16 0.00 0.00 179.01 178.73 1psj h ASP 99 N 0.21 0.93 0.06 0.00 3.32 -0.84 -2.50 116.42 117.60 1psj h ASP 99 Ca 0.12 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 1psj h ASP 99 Cb 0.08 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1psj h ASP 99 CO -0.12 1.15 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.43 1psj h ARG 100 N 0.76 -0.07 -0.51 3.56 2.43 -0.81 -2.00 114.38 117.74 1psj h ARG 100 Ca 0.09 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1psj h ARG 100 Cb 0.85 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 1psj h ARG 100 CO 0.07 0.02 0.15 0.00 -1.51 0.00 0.00 179.97 178.70 1psj h ALA 101 N 0.79 0.61 -0.41 2.80 0.00 -1.24 -1.74 119.26 120.07 1psj h ALA 101 Ca -0.01 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1psj h ALA 101 Cb 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1psj h ALA 101 CO 0.01 -0.25 0.04 0.00 0.00 0.00 0.00 179.25 179.06 1psj h ALA 102 N 1.36 0.55 -0.79 0.00 0.00 -1.42 -0.47 119.26 118.49 1psj h ALA 102 Ca 0.25 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1psj h ALA 102 Cb 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1psj h ALA 102 CO -0.28 0.29 0.48 0.00 0.00 0.00 0.00 179.25 179.74 1psj h ALA 103 N 0.92 1.00 -0.11 0.00 0.00 -1.05 -0.31 119.26 119.71 1psj h ALA 103 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1psj h ALA 103 Cb 0.41 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1psj h ALA 103 CO 0.01 0.46 0.02 0.82 0.00 0.00 0.00 179.25 180.57 1psj h ILE 104 N 1.08 1.20 -0.66 0.00 2.04 -1.30 -1.92 117.51 117.96 1psj h ILE 104 Ca 0.28 -0.63 0.11 0.00 1.00 0.00 0.00 64.86 65.62 1psj h ILE 104 Cb -0.05 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 1psj h ILE 104 CO -0.05 0.18 0.24 0.00 0.00 0.00 0.00 178.15 178.51 1psj h PHE 106 N 0.40 0.34 0.02 0.00 0.04 -0.92 -1.64 116.94 115.19 1psj h PHE 106 Ca 0.34 0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.14 1psj h PHE 106 Cb 0.47 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1psj h PHE 106 CO -0.18 0.22 -0.18 -0.09 -0.60 0.00 0.00 178.31 177.49 1psj h ARG 107 N 0.37 -0.29 0.00 1.51 2.43 -0.77 -2.10 114.38 115.52 1psj h ARG 107 Ca 0.10 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1psj h ARG 107 Cb -0.04 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1psj h ARG 107 CO -0.02 -0.19 -0.00 -0.44 -1.51 0.00 0.00 179.97 177.81 1psj h ASP 108 N -0.30 0.00 -0.37 -3.80 5.19 -0.59 -3.05 116.42 113.50 1psj h ASP 108 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1psj h ASP 108 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1psj h ASP 108 CO -0.15 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.56 1psj n ASN 109 N -3.09 3.65 0.26 6.45 3.02 -0.63 -4.56 115.26 120.36 1psj n ASN 109 Ca -0.01 -2.49 0.10 0.00 -0.03 0.00 0.00 54.58 52.15 1psj n ASN 109 Cb 0.18 -0.42 0.71 0.00 -0.61 0.00 0.00 39.78 39.65 1psj n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1psj h LEU 110 N 2.31 0.00 -1.74 3.41 3.38 -1.35 -1.86 115.31 119.46 1psj h LEU 110 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1psj h LEU 110 Cb 1.15 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1psj h LEU 110 CO 0.13 0.00 0.54 0.71 0.09 0.00 0.00 178.44 179.92 1psj h THR 111 N 0.00 0.69 -0.01 0.22 1.35 -1.85 -2.79 112.91 110.53 1psj h THR 111 Ca 0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1psj h THR 111 Cb 0.03 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1psj h THR 111 CO -0.00 0.04 -0.51 0.18 -0.25 0.00 0.00 175.52 174.98 1psj n LEU 112 N -4.42 1.57 -4.71 3.87 7.99 -0.71 -5.00 117.00 115.59 1psj n LEU 112 Ca 0.16 -0.70 -0.43 0.00 -0.01 0.00 0.00 56.01 55.03 1psj n LEU 112 Cb 0.70 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.99 1psj n LEU 112 CO 0.34 0.31 1.22 0.00 -1.51 0.00 0.00 177.39 177.75 1psj n TYR 113 N -0.41 2.59 -3.40 -1.77 4.19 -1.05 -4.95 117.16 112.35 1psj n TYR 113 Ca 0.07 0.24 -0.21 0.00 3.31 0.00 0.00 57.90 61.31 1psj n TYR 113 Cb 0.37 -2.58 -0.10 0.00 0.49 0.00 0.00 39.34 37.53 1psj n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1psj s ASN 114 N 0.68 1.85 0.24 2.98 3.84 -1.26 -4.98 114.94 118.29 1psj s ASN 114 Ca 0.70 -1.57 0.04 0.00 0.21 0.00 0.00 52.86 52.23 1psj s ASN 114 Cb -0.56 0.26 0.27 0.00 -0.55 0.00 0.00 41.25 40.66 1psj s ASN 114 CO 0.43 -0.31 1.58 -2.24 -2.79 0.00 0.00 177.10 173.77 1psj h ASP 115 N 7.34 0.30 -0.84 -4.21 2.03 -1.96 -1.23 116.42 117.85 1psj h ASP 115 Ca 0.01 -0.16 0.07 0.00 -0.73 0.00 0.00 57.03 56.21 1psj h ASP 115 Cb 1.03 -0.09 -0.06 0.00 -0.83 0.00 0.00 39.33 39.39 1psj h ASP 115 CO 0.25 0.81 0.51 0.50 -1.03 0.00 0.00 179.24 180.28 1psj h LYS 116 N 0.20 0.90 0.17 4.15 1.63 -1.95 -1.48 116.57 120.19 1psj h LYS 116 Ca -0.00 -0.05 -0.35 0.00 -0.85 0.00 0.00 60.65 59.39 1psj h LYS 116 Cb 1.06 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1psj h LYS 116 CO 0.09 0.60 -1.80 -0.22 -3.45 0.00 0.00 179.45 174.67 1psj h LYS 117 N 0.93 0.35 0.00 1.90 3.64 -1.97 -3.42 116.57 118.00 1psj h LYS 117 Ca 0.37 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1psj h LYS 117 Cb 0.20 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1psj h LYS 117 CO -0.18 1.29 -1.19 0.66 -2.27 0.00 0.00 179.45 177.75 1psj n TYR 118 N -3.59 0.00 -1.87 1.91 4.01 -0.47 -4.80 117.16 112.34 1psj n TYR 118 Ca -0.27 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.06 1psj n TYR 118 Cb 1.05 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 39.92 1psj n TYR 118 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1psj s TRP 119 N -2.89 2.82 -1.55 -0.72 -0.11 -0.57 -1.13 118.94 114.80 1psj s TRP 119 Ca 0.02 0.96 -0.10 0.00 1.22 0.00 0.00 56.10 58.20 1psj s TRP 119 Cb 0.13 -3.96 0.08 0.00 -1.50 0.00 0.00 33.47 28.22 1psj s TRP 119 CO 0.74 -3.11 0.70 0.00 -4.62 0.00 0.00 176.95 170.67 1psj n ALA 120 N 1.83 -1.56 -0.38 5.86 0.00 -0.51 -4.88 120.51 120.87 1psj n ALA 120 Ca 0.06 -0.06 0.29 0.00 0.00 0.00 0.00 53.44 53.73 1psj n ALA 120 Cb 0.39 -2.94 0.57 0.00 0.00 0.00 0.00 19.45 17.46 1psj n ALA 120 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1psj h PHE 121 N -1.75 0.66 0.00 0.00 3.57 -1.74 -3.48 116.94 114.19 1psj h PHE 121 Ca -0.60 0.03 0.00 0.00 3.53 0.00 0.00 57.97 60.92 1psj h PHE 121 Cb 1.38 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1psj h PHE 121 CO 0.56 -0.12 0.00 0.41 -2.23 0.00 0.00 178.31 176.93 1psj n GLY 122 N -1.45 -1.65 0.26 2.40 0.00 -1.26 -4.56 105.19 98.92 1psj n GLY 122 Ca 0.32 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 45.22 1psj n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psj h ALA 123 N 0.00 1.98 0.00 4.61 0.00 -1.92 -0.26 119.26 123.67 1psj h ALA 123 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1psj h ALA 123 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1psj h ALA 123 CO 0.00 0.01 -0.21 1.57 0.00 0.00 0.00 179.25 180.62 1psj h LYS 124 N 0.00 0.00 0.00 0.00 2.10 -2.01 -0.17 116.57 116.49 1psj h LYS 124 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1psj h LYS 124 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1psj h LYS 124 CO 0.00 0.21 0.00 0.09 -2.00 0.00 0.00 179.45 177.75 1psj n ASN 125 N -3.78 0.08 -3.29 7.07 3.02 -0.11 -3.75 115.26 114.51 1psj n ASN 125 Ca -0.02 0.52 -0.27 0.00 -0.03 0.00 0.00 54.58 54.78 1psj n ASN 125 Cb 0.31 -0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 38.88 1psj n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1psj s PRO 127 N -2.62 4.15 0.55 0.00 0.02 -1.24 -3.93 135.00 131.94 1psj s PRO 127 Ca 0.42 2.52 0.24 0.00 0.02 0.00 0.00 61.00 64.20 1psj s PRO 127 Cb 0.19 -3.07 1.48 0.00 0.02 0.00 0.00 34.50 33.12 1psj s PRO 127 CO -0.05 -0.64 2.09 -0.56 -0.33 0.00 0.00 177.00 177.51 1psj h GLN 128 N 5.75 0.00 0.00 5.54 -0.00 -1.92 -1.47 115.11 123.02 1psj h GLN 128 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1psj h GLN 128 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 1psj h GLN 128 CO 0.86 0.00 0.00 -1.91 -0.00 0.00 0.00 178.83 177.78 1psj n GLU 129 N -4.17 0.18 -0.47 0.06 4.07 -1.26 -2.59 120.64 116.46 1psj n GLU 129 Ca 0.03 0.32 0.08 0.00 -0.06 0.00 0.00 57.16 57.53 1psj n GLU 129 Cb 0.34 -1.79 0.29 0.00 -0.06 0.00 0.00 31.44 30.22 1psj n GLU 129 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1psj n GLU 130 N -2.13 3.08 -2.10 5.31 1.02 -0.55 -4.95 120.64 120.32 1psj n GLU 130 Ca 0.04 -2.34 -0.43 0.00 -0.02 0.00 0.00 57.16 54.41 1psj n GLU 130 Cb 0.29 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 1psj n GLU 130 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1psj s SER 131 N -0.86 6.03 0.19 1.62 0.01 -1.07 -3.31 113.70 116.31 1psj s SER 131 Ca 0.42 1.19 -0.32 0.00 1.31 0.00 0.00 55.95 58.55 1psj s SER 131 Cb 0.26 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.85 1psj s SER 131 CO 0.22 -1.62 1.62 -0.70 0.41 0.00 0.00 173.24 173.17 1psj s GLU 132 N 5.43 4.18 0.38 12.44 2.12 -1.14 -4.90 118.70 137.20 1psj s GLU 132 Ca 0.75 2.46 -0.22 0.00 0.36 0.00 0.00 54.97 58.32 1psj s GLU 132 Cb -0.20 -3.11 -0.10 0.00 0.26 0.00 0.00 34.13 30.97 1psj s GLU 132 CO 0.33 -0.65 0.92 -1.25 -0.54 0.00 0.00 175.26 174.07 1psj s PRO 133 N 0.96 4.30 0.00 4.30 0.04 -1.26 -5.00 135.00 138.34 1psj s PRO 133 Ca 0.71 1.12 0.04 0.00 0.04 0.00 0.00 61.00 62.91 1psj s PRO 133 Cb -0.46 -2.40 0.22 0.00 0.04 0.00 0.00 34.50 31.90 1psj s PRO 133 CO 0.33 0.09 0.70 0.00 0.04 0.00 0.00 177.00 178.16