#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcy h LEU 2 N 0.00 0.31 -0.35 -4.53 -0.00 -1.72 -0.89 115.31 108.13 1dcy h LEU 2 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.84 1dcy h LEU 2 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 1dcy h LEU 2 CO 0.00 0.18 0.02 0.58 -0.00 0.00 0.00 178.44 179.22 1dcy h VAL 3 N 0.34 1.25 -0.23 1.22 2.07 -1.99 0.31 116.25 119.22 1dcy h VAL 3 Ca 0.28 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1dcy h VAL 3 Cb 0.63 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1dcy h VAL 3 CO -0.07 0.31 0.15 0.78 0.02 0.00 0.00 177.57 178.76 1dcy h ASN 4 N 0.43 0.27 -0.50 0.57 -0.26 -1.71 -1.69 115.58 112.69 1dcy h ASN 4 Ca 0.10 -0.02 0.07 0.00 -0.56 0.00 0.00 56.30 55.89 1dcy h ASN 4 Cb 0.42 -0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.55 1dcy h ASN 4 CO 0.01 0.21 0.18 0.15 -1.06 0.00 0.00 177.43 176.92 1dcy h PHE 5 N 0.31 0.32 -0.06 1.19 3.57 -0.92 -1.39 116.94 119.95 1dcy h PHE 5 Ca 0.09 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1dcy h PHE 5 Cb -0.02 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 1dcy h PHE 5 CO -0.06 0.11 -0.23 1.25 -2.23 0.00 0.00 178.31 177.15 1dcy h HIS 6 N 0.36 -0.61 -0.32 0.41 2.76 0.23 -1.80 115.15 116.18 1dcy h HIS 6 Ca 0.24 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1dcy h HIS 6 Cb 0.25 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 1dcy h HIS 6 CO -0.16 -0.31 0.13 0.00 -1.30 0.00 0.00 177.93 176.29 1dcy h ARG 7 N -0.33 0.44 -0.38 5.26 3.08 -1.01 -2.29 114.38 119.15 1dcy h ARG 7 Ca 0.08 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1dcy h ARG 7 Cb 0.44 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1dcy h ARG 7 CO -0.25 0.36 0.00 1.98 -1.07 0.00 0.00 179.97 180.99 1dcy h MET 8 N 0.44 0.68 -0.45 0.04 4.05 -0.65 -2.50 114.93 116.55 1dcy h MET 8 Ca 0.11 -0.22 -0.08 0.00 -0.28 0.00 0.00 59.70 59.24 1dcy h MET 8 Cb 0.08 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1dcy h MET 8 CO -0.01 0.77 -0.05 0.82 0.23 0.00 0.00 176.91 178.67 1dcy h ILE 9 N 0.50 1.25 -0.39 1.77 2.04 -0.93 -1.63 117.51 120.12 1dcy h ILE 9 Ca 0.11 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 1dcy h ILE 9 Cb 0.47 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1dcy h ILE 9 CO 0.02 0.37 -0.03 0.50 0.00 0.00 0.00 178.15 179.01 1dcy h LYS 10 N 0.70 0.63 -0.20 2.37 1.63 -1.35 0.56 116.57 120.92 1dcy h LYS 10 Ca 0.13 -0.16 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 1dcy h LYS 10 Cb 0.50 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1dcy h LYS 10 CO 0.03 0.67 -0.18 -0.07 -3.45 0.00 0.00 179.45 176.46 1dcy h LEU 11 N 0.60 0.51 0.21 5.20 4.07 -0.98 0.08 115.31 125.00 1dcy h LEU 11 Ca 0.12 -0.46 -0.33 0.00 0.08 0.00 0.00 57.88 57.29 1dcy h LEU 11 Cb 0.42 -0.14 0.02 0.00 1.08 0.00 0.00 40.66 42.04 1dcy h LEU 11 CO 0.02 0.86 -1.55 0.71 -1.08 0.00 0.00 178.44 177.40 1dcy h THR 12 N 0.16 1.13 0.00 0.22 1.35 -1.15 -3.40 112.91 111.21 1dcy h THR 12 Ca 0.04 -2.58 -0.09 0.00 -0.55 0.00 0.00 66.41 63.23 1dcy h THR 12 Cb 0.71 2.91 -0.02 0.00 -1.73 0.00 0.00 68.15 70.02 1dcy h THR 12 CO 0.05 0.82 -2.07 0.35 -0.25 0.00 0.00 175.52 174.41 1dcy n THR 13 N -3.71 0.33 -0.83 6.82 -2.24 0.18 -4.72 114.28 110.11 1dcy n THR 13 Ca -0.21 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1dcy n THR 13 Cb 1.06 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1dcy n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dcy n GLY 14 N 1.41 0.62 3.40 3.38 0.00 0.02 -5.02 105.19 108.99 1dcy n GLY 14 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 1dcy n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dcy s LYS 15 N -0.17 1.48 0.19 1.61 -2.85 -1.26 -4.98 119.74 113.76 1dcy s LYS 15 Ca 0.00 -1.76 -0.30 0.00 -1.00 0.00 0.00 55.97 52.91 1dcy s LYS 15 Cb 0.00 -0.96 -0.09 0.00 -2.06 0.00 0.00 37.83 34.72 1dcy s LYS 15 CO 0.00 -0.02 1.39 -1.21 0.10 0.00 0.00 175.35 175.61 1dcy s GLU 16 N -3.78 4.32 -0.05 1.78 8.01 -1.26 -3.89 118.70 123.82 1dcy s GLU 16 Ca 0.29 2.16 -0.26 0.00 0.01 0.00 0.00 54.97 57.18 1dcy s GLU 16 Cb 0.05 -3.18 -0.21 0.00 -4.31 0.00 0.00 34.13 26.48 1dcy s GLU 16 CO 0.11 -0.38 1.08 0.00 0.01 0.00 0.00 175.26 176.08 1dcy h ALA 17 N 5.74 -0.04 -0.45 5.21 0.00 -1.94 -1.99 119.26 125.79 1dcy h ALA 17 Ca -0.44 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.26 1dcy h ALA 17 Cb 1.21 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 1dcy h ALA 17 CO 0.81 -0.20 -0.13 0.00 0.00 0.00 0.00 179.25 179.73 1dcy h ALA 18 N 0.25 0.28 0.17 0.00 0.00 -1.93 0.39 119.26 118.41 1dcy h ALA 18 Ca -0.00 0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 1dcy h ALA 18 Cb 0.61 0.37 0.02 0.00 0.00 0.00 0.00 17.79 18.80 1dcy h ALA 18 CO 0.01 -0.46 -1.05 -0.07 0.00 0.00 0.00 179.25 177.68 1dcy h LEU 19 N -0.02 0.56 -0.26 0.00 3.38 -1.99 -1.85 115.31 115.13 1dcy h LEU 19 Ca 0.22 -0.94 -0.20 0.00 0.09 0.00 0.00 57.88 57.05 1dcy h LEU 19 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1dcy h LEU 19 CO -0.48 1.50 -0.89 0.28 0.09 0.00 0.00 178.44 178.94 1dcy h SER 20 N -0.23 0.21 0.00 -0.43 0.02 -1.31 -3.40 113.55 108.40 1dcy h SER 20 Ca -0.19 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1dcy h SER 20 Cb 1.79 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.27 1dcy h SER 20 CO 0.17 0.99 -0.25 -1.22 -1.14 0.00 0.00 176.83 175.39 1dcy n TYR 21 N -3.62 0.00 0.08 3.45 4.02 0.12 -4.69 117.16 116.51 1dcy n TYR 21 Ca -0.03 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.02 1dcy n TYR 21 Cb 0.82 0.00 0.68 0.00 -0.02 0.00 0.00 39.34 40.82 1dcy n TYR 21 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1dcy h GLY 22 N 0.00 0.00 -0.29 2.72 0.00 -0.06 -2.99 103.07 102.45 1dcy h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dcy h GLY 22 CO 0.00 0.00 -0.14 0.69 0.00 0.00 0.00 176.54 177.09 1dcy n PHE 23 N -4.42 0.00 -1.97 5.60 3.01 -1.26 -3.62 117.46 114.81 1dcy n PHE 23 Ca 0.06 -0.53 -0.42 0.00 1.01 0.00 0.00 57.45 57.57 1dcy n PHE 23 Cb 0.44 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 1dcy n PHE 23 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1dcy s TYR 24 N -1.45 3.09 0.00 1.38 6.14 -1.12 -3.10 117.35 122.29 1dcy s TYR 24 Ca 0.14 0.68 0.00 0.00 0.64 0.00 0.00 57.07 58.53 1dcy s TYR 24 Cb 0.13 -3.89 0.00 0.00 0.42 0.00 0.00 41.96 38.61 1dcy s TYR 24 CO 0.01 -3.27 0.00 0.41 0.64 0.00 0.00 175.55 173.34 1dcy n GLY 25 N 3.69 3.30 0.05 8.97 0.00 0.17 -2.78 105.19 118.60 1dcy n GLY 25 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1dcy n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dcy n HIS 27 N -0.59 0.00 -2.46 0.00 8.25 -1.25 -2.21 115.22 116.96 1dcy n HIS 27 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1dcy n HIS 27 Cb 0.06 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 1dcy n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dcy n GLY 29 N 2.04 -3.41 3.71 0.00 0.00 -1.24 -4.27 105.19 102.02 1dcy n GLY 29 Ca 0.03 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1dcy n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dcy s VAL 30 N -0.73 2.33 0.00 1.61 1.01 -1.26 -4.76 120.40 118.60 1dcy s VAL 30 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1dcy s VAL 30 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1dcy s VAL 30 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1dcy n GLY 31 N 4.01 -1.80 0.00 4.51 0.00 -1.26 -5.08 105.19 105.57 1dcy n GLY 31 Ca 0.16 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1dcy n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dcy n GLY 32 N 0.00 3.95 3.36 -0.02 0.00 -1.26 -4.68 105.19 106.54 1dcy n GLY 32 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 1dcy n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dcy s ARG 33 N -2.34 0.87 0.72 1.61 1.70 -0.94 -4.98 118.95 115.58 1dcy s ARG 33 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 1dcy s ARG 33 Cb 0.00 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 1dcy s ARG 33 CO 0.00 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.36 1dcy n GLY 34 N 0.98 -2.10 3.74 3.88 0.00 -1.26 -4.65 105.19 105.79 1dcy n GLY 34 Ca -0.20 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 1dcy n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dcy s SER 35 N -3.45 7.39 0.71 1.61 0.01 -0.48 -4.37 113.70 115.12 1dcy s SER 35 Ca 0.00 2.06 -0.16 0.00 1.31 0.00 0.00 55.95 59.15 1dcy s SER 35 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.64 1dcy s SER 35 CO 0.00 -0.09 1.23 -0.81 0.41 0.00 0.00 173.24 173.98 1dcy n PRO 36 N 1.95 0.74 0.09 12.44 -0.04 -1.26 -4.79 135.00 144.13 1dcy n PRO 36 Ca 0.01 0.32 -0.20 0.00 -0.04 0.00 0.00 63.50 63.58 1dcy n PRO 36 Cb 0.46 -2.47 -0.15 0.00 -0.04 0.00 0.00 33.50 31.31 1dcy n PRO 36 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1dcy h LYS 37 N -0.03 0.35 0.00 0.54 1.79 -1.94 -3.49 116.57 113.79 1dcy h LYS 37 Ca -0.49 -0.61 0.00 0.00 -2.18 0.00 0.00 60.65 57.37 1dcy h LYS 37 Cb 1.33 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1dcy h LYS 37 CO 0.50 1.25 0.00 -0.40 -1.08 0.00 0.00 179.45 179.72 1dcy n ASP 38 N -3.56 0.00 -0.12 0.86 5.68 -1.26 -5.02 116.55 113.13 1dcy n ASP 38 Ca -0.18 -0.18 -0.10 0.00 -0.50 0.00 0.00 54.79 53.83 1dcy n ASP 38 Cb 1.06 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 41.02 1dcy n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dcy h ALA 39 N 1.85 0.48 -0.25 2.12 0.00 -1.96 -1.85 119.26 119.66 1dcy h ALA 39 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1dcy h ALA 39 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1dcy h ALA 39 CO 0.00 0.19 0.14 1.15 0.00 0.00 0.00 179.25 180.73 1dcy h THR 40 N 0.44 1.02 0.00 0.00 2.02 -1.92 -0.57 112.91 113.90 1dcy h THR 40 Ca 0.11 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1dcy h THR 40 Cb 0.37 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1dcy h THR 40 CO 0.01 0.05 -0.05 -0.78 0.37 0.00 0.00 175.52 175.13 1dcy h ASP 41 N 0.29 0.00 0.29 4.18 -0.00 -1.89 -1.02 116.42 118.27 1dcy h ASP 41 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 57.03 56.99 1dcy h ASP 41 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.32 1dcy h ASP 41 CO -0.05 0.05 -0.54 0.03 -0.00 0.00 0.00 179.24 178.73 1dcy h ARG 42 N 0.00 0.27 -0.95 0.28 3.08 -0.26 -2.77 114.38 114.03 1dcy h ARG 42 Ca -0.00 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 59.92 1dcy h ARG 42 Cb 0.08 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1dcy h ARG 42 CO 0.01 0.74 0.62 0.00 -1.07 0.00 0.00 179.97 180.27 1dcy h VAL 45 N 0.13 1.27 -0.46 0.00 2.07 -1.07 -0.45 116.25 117.74 1dcy h VAL 45 Ca 0.01 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1dcy h VAL 45 Cb 0.76 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1dcy h VAL 45 CO 0.06 0.34 0.23 0.74 0.02 0.00 0.00 177.57 178.96 1dcy h THR 46 N 0.38 1.18 -0.65 2.57 2.02 -1.09 -1.45 112.91 115.87 1dcy h THR 46 Ca 0.09 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1dcy h THR 46 Cb 0.51 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1dcy h THR 46 CO 0.02 0.19 0.33 -0.74 0.37 0.00 0.00 175.52 175.70 1dcy h HIS 47 N 0.60 0.91 -0.16 3.16 6.17 -1.00 0.10 115.15 124.94 1dcy h HIS 47 Ca 0.16 -0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.22 1dcy h HIS 47 Cb 0.09 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 29.72 1dcy h HIS 47 CO -0.01 0.67 0.06 -0.44 0.71 0.00 0.00 177.93 178.92 1dcy h ASP 48 N 0.89 0.08 -0.56 3.26 3.45 -0.77 -0.37 116.42 122.40 1dcy h ASP 48 Ca 0.23 0.01 0.04 0.00 0.43 0.00 0.00 57.03 57.73 1dcy h ASP 48 Cb 0.08 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 1dcy h ASP 48 CO -0.03 0.07 0.37 0.00 -1.57 0.00 0.00 179.24 178.08 1dcy h TYR 51 N 0.38 1.00 -0.78 0.00 -1.99 -0.19 -2.44 116.97 112.94 1dcy h TYR 51 Ca 0.10 -0.16 0.01 0.00 2.00 0.00 0.00 58.73 60.68 1dcy h TYR 51 Cb 0.37 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 38.80 1dcy h TYR 51 CO 0.03 0.91 0.52 0.87 -0.00 0.00 0.00 178.16 180.48 1dcy h LYS 52 N 0.85 1.03 0.59 4.88 1.57 -0.92 -0.25 116.57 124.32 1dcy h LYS 52 Ca 0.15 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1dcy h LYS 52 Cb 0.53 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1dcy h LYS 52 CO 0.03 0.68 -0.34 0.00 -0.57 0.00 0.00 179.45 179.25 1dcy h ARG 53 N 1.06 -0.84 -1.00 3.15 3.08 -1.10 -1.58 114.38 117.16 1dcy h ARG 53 Ca 0.29 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.55 1dcy h ARG 53 Cb -0.12 0.19 -0.10 0.00 0.08 0.00 0.00 29.97 30.02 1dcy h ARG 53 CO -0.06 -0.56 0.61 -0.07 -1.07 0.00 0.00 179.97 178.82 1dcy h LEU 54 N -0.87 0.84 -0.41 3.04 3.38 -1.09 -0.46 115.31 119.75 1dcy h LEU 54 Ca -0.07 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1dcy h LEU 54 Cb 0.69 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1dcy h LEU 54 CO 0.09 0.37 0.22 -0.33 0.09 0.00 0.00 178.44 178.88 1dcy h GLU 55 N 0.86 0.57 -0.14 1.13 5.08 -0.72 0.58 114.58 121.94 1dcy h GLU 55 Ca 0.54 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.88 1dcy h GLU 55 Cb 0.72 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1dcy h GLU 55 CO -0.33 0.47 -0.28 0.87 -1.00 0.00 0.00 179.01 178.74 1dcy h LYS 56 N 0.53 -0.33 0.00 2.33 1.57 -0.09 0.44 116.57 121.02 1dcy h LYS 56 Ca 0.14 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1dcy h LYS 56 Cb 0.06 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1dcy h LYS 56 CO -0.02 -0.22 0.00 0.54 -0.57 0.00 0.00 179.45 179.18 1dcy n ARG 57 N -5.39 0.07 -0.80 3.15 1.74 -0.88 -4.80 116.66 109.76 1dcy n ARG 57 Ca -0.03 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1dcy n ARG 57 Cb 0.30 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1dcy n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dcy n GLY 58 N -0.92 0.52 3.89 -0.13 0.00 0.16 -5.06 105.19 103.64 1dcy n GLY 58 Ca 0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1dcy n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dcy s GLY 60 N -3.06 1.62 0.00 0.00 0.00 -1.26 -4.14 107.32 100.49 1dcy s GLY 60 Ca 0.47 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.65 1dcy s GLY 60 CO 0.29 -0.19 0.00 -1.30 0.00 0.00 0.00 173.10 171.90 1dcy n THR 61 N -2.86 0.00 -0.08 0.90 -2.24 -1.26 -4.73 114.28 104.01 1dcy n THR 61 Ca 0.06 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1dcy n THR 61 Cb 0.58 -0.15 0.35 0.00 -2.10 0.00 0.00 70.33 69.01 1dcy n THR 61 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1dcy h LYS 62 N 0.00 0.71 -0.35 -0.78 1.57 -1.96 -3.12 116.57 112.64 1dcy h LYS 62 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1dcy h LYS 62 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1dcy h LYS 62 CO 0.00 0.48 0.00 1.19 -0.57 0.00 0.00 179.45 180.55 1dcy n PHE 63 N -4.45 0.46 -3.36 -1.35 3.72 -1.26 -2.46 117.46 108.76 1dcy n PHE 63 Ca 0.05 -0.42 -0.40 0.00 -0.05 0.00 0.00 57.45 56.63 1dcy n PHE 63 Cb 0.05 -0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.49 1dcy n PHE 63 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1dcy s LEU 64 N -1.01 4.14 0.49 4.37 2.96 -1.18 -4.87 118.68 123.57 1dcy s LEU 64 Ca 0.25 0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.24 1dcy s LEU 64 Cb 0.14 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1dcy s LEU 64 CO 0.18 -0.25 0.86 -0.94 -1.32 0.00 0.00 176.35 174.88 1dcy s SER 65 N 1.66 6.41 0.22 3.68 1.04 -1.26 0.44 113.70 125.89 1dcy s SER 65 Ca 0.15 1.20 -0.11 0.00 0.48 0.00 0.00 55.95 57.67 1dcy s SER 65 Cb -0.16 -2.36 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 1dcy s SER 65 CO 0.11 -0.57 0.41 -0.72 0.98 0.00 0.00 173.24 173.44 1dcy s TYR 66 N -2.67 0.40 0.17 5.02 -0.85 -1.26 -4.76 117.35 113.40 1dcy s TYR 66 Ca 0.52 -0.75 0.10 0.00 -0.52 0.00 0.00 57.07 56.42 1dcy s TYR 66 Cb -0.10 0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.28 1dcy s TYR 66 CO 0.40 -0.90 -0.19 0.15 -1.52 0.00 0.00 175.55 173.49 1dcy s LYS 67 N -4.01 1.72 0.13 -3.49 1.02 -1.26 -4.87 119.74 108.98 1dcy s LYS 67 Ca 0.22 -1.38 -0.19 0.00 0.02 0.00 0.00 55.97 54.64 1dcy s LYS 67 Cb 0.01 -1.99 0.05 0.00 -0.52 0.00 0.00 37.83 35.38 1dcy s LYS 67 CO 0.06 0.43 0.48 -0.59 -0.92 0.00 0.00 175.35 174.81 1dcy s PHE 68 N -1.54 -0.34 0.32 3.18 -0.71 -1.26 -2.27 117.98 115.36 1dcy s PHE 68 Ca 0.21 0.07 0.08 0.00 -1.04 0.00 0.00 56.93 56.25 1dcy s PHE 68 Cb -0.09 0.37 -0.06 0.00 -1.21 0.00 0.00 43.02 42.03 1dcy s PHE 68 CO 0.11 -0.75 -0.07 -1.54 -1.34 0.00 0.00 175.22 171.63 1dcy s SER 69 N -2.74 3.28 0.00 1.98 1.04 -0.13 -4.93 113.70 112.21 1dcy s SER 69 Ca 0.02 -1.20 -0.18 0.00 0.48 0.00 0.00 55.95 55.06 1dcy s SER 69 Cb 0.01 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 65.90 1dcy s SER 69 CO -0.12 -0.28 0.40 0.54 0.98 0.00 0.00 173.24 174.76 1dcy s ASN 70 N -3.54 -0.29 -0.44 7.02 4.22 -1.26 -0.65 114.94 120.01 1dcy s ASN 70 Ca 0.31 0.14 0.02 0.00 -2.14 0.00 0.00 52.86 51.19 1dcy s ASN 70 Cb 0.03 0.38 0.14 0.00 1.28 0.00 0.00 41.25 43.08 1dcy s ASN 70 CO 0.15 -0.55 0.25 -0.55 -2.04 0.00 0.00 177.10 174.36 1dcy s SER 71 N -1.56 3.54 1.14 3.54 0.15 -0.41 -4.98 113.70 115.12 1dcy s SER 71 Ca -0.10 -2.65 0.00 0.00 0.70 0.00 0.00 55.95 53.90 1dcy s SER 71 Cb -0.03 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1dcy s SER 71 CO 0.03 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1dcy n GLY 72 N 3.50 1.92 0.72 9.45 0.00 -1.26 -2.56 105.19 116.95 1dcy n GLY 72 Ca 0.10 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.78 1dcy n GLY 72 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dcy n SER 73 N 8.21 2.19 -4.62 1.61 7.64 -1.26 -4.85 113.62 122.54 1dcy n SER 73 Ca 0.00 -1.75 -0.41 0.00 1.01 0.00 0.00 58.87 57.72 1dcy n SER 73 Cb 0.00 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 1dcy n SER 73 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1dcy s ARG 74 N -1.85 4.03 -0.10 1.43 1.81 -1.06 -4.73 118.95 118.48 1dcy s ARG 74 Ca 0.34 0.51 -0.03 0.00 -1.72 0.00 0.00 55.73 54.84 1dcy s ARG 74 Cb 0.20 -3.68 -0.03 0.00 -0.45 0.00 0.00 34.95 30.98 1dcy s ARG 74 CO 0.30 -0.51 0.01 0.42 -0.68 0.00 0.00 175.30 174.85 1dcy s ILE 75 N 2.63 4.41 -0.10 1.52 1.09 -1.26 -1.29 121.20 128.19 1dcy s ILE 75 Ca 0.27 -0.21 -0.00 0.00 -1.10 0.00 0.00 60.65 59.62 1dcy s ILE 75 Cb -0.15 -2.87 0.02 0.00 -1.06 0.00 0.00 42.46 38.40 1dcy s ILE 75 CO 0.10 0.59 -0.08 -0.89 -0.10 0.00 0.00 174.94 174.57 1dcy s THR 76 N -0.78 0.98 0.19 2.92 2.01 0.18 -4.99 115.64 116.16 1dcy s THR 76 Ca 0.12 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1dcy s THR 76 Cb -0.12 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.32 1dcy s THR 76 CO 0.02 0.35 1.08 0.00 -0.69 0.00 0.00 174.62 175.38 1dcy s ALA 78 N -0.42 2.63 0.03 0.00 0.00 -0.96 -4.92 121.76 118.11 1dcy s ALA 78 Ca 0.48 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1dcy s ALA 78 Cb -0.29 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1dcy s ALA 78 CO 0.35 -1.40 1.28 0.21 0.00 0.00 0.00 175.76 176.20 1dcy s LYS 79 N -5.29 4.36 0.12 0.00 2.20 -1.26 -4.86 119.74 115.00 1dcy s LYS 79 Ca 0.59 1.85 -0.14 0.00 -0.36 0.00 0.00 55.97 57.92 1dcy s LYS 79 Cb -0.12 -3.43 0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1dcy s LYS 79 CO 0.53 -0.41 0.67 0.00 -0.36 0.00 0.00 175.35 175.77 1dcy n GLN 80 N 4.56 0.42 -1.10 4.03 10.64 -1.26 -5.05 117.38 129.63 1dcy n GLN 80 Ca 0.11 -0.95 -0.36 0.00 -1.83 0.00 0.00 57.00 53.96 1dcy n GLN 80 Cb 0.45 1.29 0.06 0.00 -0.86 0.00 0.00 30.24 31.18 1dcy n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1dcy n ASP 81 N -1.04 -3.14 -0.09 2.61 9.92 -1.26 -4.58 116.55 118.97 1dcy n ASP 81 Ca -0.01 0.44 -0.07 0.00 -0.53 0.00 0.00 54.79 54.61 1dcy n ASP 81 Cb 0.38 -1.02 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 1dcy n ASP 81 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1dcy h SER 82 N -0.71 0.15 0.50 -2.24 0.87 -2.01 0.51 113.55 110.63 1dcy h SER 82 Ca -0.44 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 1dcy h SER 82 Cb 1.34 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1dcy h SER 82 CO 0.35 0.12 -0.24 0.00 -0.53 0.00 0.00 176.83 176.54 1dcy h ARG 84 N -0.77 0.71 -0.15 0.00 3.08 -1.86 0.22 114.38 115.61 1dcy h ARG 84 Ca -0.07 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 1dcy h ARG 84 Cb 0.56 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1dcy h ARG 84 CO 0.11 0.47 -0.29 1.03 -1.07 0.00 0.00 179.97 180.22 1dcy h SER 85 N 0.73 0.53 -0.47 7.04 0.87 -0.70 -2.43 113.55 119.11 1dcy h SER 85 Ca 0.54 -0.55 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1dcy h SER 85 Cb 0.81 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1dcy h SER 85 CO -0.38 0.98 0.02 1.56 -0.53 0.00 0.00 176.83 178.48 1dcy h GLN 86 N 0.10 0.88 -0.17 2.24 4.20 -0.35 -2.10 115.11 119.90 1dcy h GLN 86 Ca 0.01 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1dcy h GLN 86 Cb 0.89 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1dcy h GLN 86 CO 0.07 0.86 0.09 1.25 -0.67 0.00 0.00 178.83 180.43 1dcy h LEU 87 N 0.82 0.22 -0.71 1.46 5.85 -0.99 -1.46 115.31 120.49 1dcy h LEU 87 Ca 0.16 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1dcy h LEU 87 Cb 0.46 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1dcy h LEU 87 CO 0.02 0.25 0.41 0.00 -0.34 0.00 0.00 178.44 178.78 1dcy h GLU 89 N 0.75 0.46 -0.15 0.00 4.39 -1.03 0.59 114.58 119.59 1dcy h GLU 89 Ca 0.31 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1dcy h GLU 89 Cb 0.17 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1dcy h GLU 89 CO -0.17 0.60 0.06 0.00 -1.16 0.00 0.00 179.01 178.33 1dcy h ASP 91 N 0.08 0.92 -0.60 0.00 3.45 -0.98 -2.47 116.42 116.83 1dcy h ASP 91 Ca 0.05 -0.18 -0.00 0.00 0.43 0.00 0.00 57.03 57.33 1dcy h ASP 91 Cb 0.19 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.69 1dcy h ASP 91 CO -0.00 0.85 0.37 0.50 -1.57 0.00 0.00 179.24 179.39 1dcy h LYS 92 N 0.94 0.80 -0.63 3.56 3.64 -0.79 0.00 116.57 124.09 1dcy h LYS 92 Ca 0.22 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1dcy h LYS 92 Cb 0.22 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1dcy h LYS 92 CO -0.02 0.57 0.40 0.00 -2.27 0.00 0.00 179.45 178.14 1dcy h ALA 93 N 1.19 0.82 -0.37 5.00 0.00 -1.14 -0.68 119.26 124.08 1dcy h ALA 93 Ca 0.21 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1dcy h ALA 93 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1dcy h ALA 93 CO -0.04 0.18 -0.19 0.00 0.00 0.00 0.00 179.25 179.20 1dcy h ALA 94 N 1.26 0.52 -0.56 0.00 0.00 -1.02 0.50 119.26 119.95 1dcy h ALA 94 Ca 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1dcy h ALA 94 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1dcy h ALA 94 CO -0.08 0.46 0.34 0.00 0.00 0.00 0.00 179.25 179.98 1dcy h ALA 95 N 0.79 0.71 -0.12 0.00 0.00 -0.77 0.11 119.26 119.99 1dcy h ALA 95 Ca 0.08 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1dcy h ALA 95 Cb 0.74 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1dcy h ALA 95 CO 0.06 0.19 -0.60 1.79 0.00 0.00 0.00 179.25 180.68 1dcy h THR 96 N 0.76 1.36 -0.64 0.00 1.35 -1.07 -2.38 112.91 112.28 1dcy h THR 96 Ca 0.20 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 1dcy h THR 96 Cb -0.03 1.92 -0.03 0.00 -1.73 0.00 0.00 68.15 68.28 1dcy h THR 96 CO -0.04 0.58 0.41 0.00 -0.25 0.00 0.00 175.52 176.22 1dcy h PHE 98 N 0.86 -0.17 -0.61 0.00 0.04 -0.63 -2.57 116.94 113.86 1dcy h PHE 98 Ca 0.23 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.09 1dcy h PHE 98 Cb -0.07 0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.07 1dcy h PHE 98 CO -0.02 -0.07 0.25 0.00 -0.60 0.00 0.00 178.31 177.86 1dcy h ALA 99 N 0.63 0.80 0.00 2.45 0.00 -1.08 -0.70 119.26 121.35 1dcy h ALA 99 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1dcy h ALA 99 Cb 0.18 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1dcy h ALA 99 CO 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 179.25 179.09 1dcy h ARG 100 N 0.44 0.00 -0.44 0.00 3.08 -0.77 -2.63 114.38 114.06 1dcy h ARG 100 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1dcy h ARG 100 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1dcy h ARG 100 CO -0.29 0.03 0.00 0.09 -1.07 0.00 0.00 179.97 178.73 1dcy n ASN 101 N -3.29 3.27 -0.19 7.04 3.02 -0.33 -4.63 115.26 120.15 1dcy n ASN 101 Ca -0.02 -2.06 0.26 0.00 -0.03 0.00 0.00 54.58 52.73 1dcy n ASN 101 Cb 0.17 -0.32 0.67 0.00 -0.61 0.00 0.00 39.78 39.69 1dcy n ASN 101 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1dcy h LYS 102 N 2.60 0.10 0.00 3.52 1.57 -1.00 -0.50 116.57 122.87 1dcy h LYS 102 Ca 0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1dcy h LYS 102 Cb 0.85 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1dcy h LYS 102 CO 0.02 0.07 -0.27 1.79 -0.57 0.00 0.00 179.45 180.48 1dcy h THR 103 N 0.10 0.89 -0.39 -0.16 1.35 -1.83 -2.89 112.91 109.98 1dcy h THR 103 Ca 0.43 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1dcy h THR 103 Cb 1.55 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 1dcy h THR 103 CO -0.05 0.27 0.00 0.35 -0.25 0.00 0.00 175.52 175.83 1dcy n THR 104 N -3.77 0.67 -1.68 6.82 -2.24 -0.21 -4.97 114.28 108.90 1dcy n THR 104 Ca -0.01 -0.84 -0.46 0.00 -2.27 0.00 0.00 64.05 60.47 1dcy n THR 104 Cb 0.37 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 1dcy n THR 104 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dcy n TYR 105 N 1.11 2.36 -3.83 4.78 9.36 -1.09 -4.94 117.16 124.90 1dcy n TYR 105 Ca 0.16 0.07 -0.36 0.00 3.32 0.00 0.00 57.90 61.08 1dcy n TYR 105 Cb 0.51 -2.63 -0.13 0.00 -0.63 0.00 0.00 39.34 36.45 1dcy n TYR 105 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1dcy s ASN 106 N 2.66 5.00 0.28 2.98 3.04 -1.26 -4.97 114.94 122.66 1dcy s ASN 106 Ca 0.86 -1.04 0.17 0.00 0.04 0.00 0.00 52.86 52.89 1dcy s ASN 106 Cb -0.65 -1.80 0.94 0.00 -1.54 0.00 0.00 41.25 38.21 1dcy s ASN 106 CO 0.44 -0.25 1.51 0.29 -3.04 0.00 0.00 177.10 176.05 1dcy n LYS 107 N 4.75 0.11 0.00 0.43 5.02 -1.26 -0.58 118.16 126.63 1dcy n LYS 107 Ca -0.14 0.60 0.15 0.00 -2.02 0.00 0.00 58.31 56.90 1dcy n LYS 107 Cb 0.45 -1.92 0.72 0.00 -0.02 0.00 0.00 35.03 34.27 1dcy n LYS 107 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1dcy n LYS 108 N -2.11 0.50 0.00 1.97 2.85 -1.26 -2.93 118.16 117.17 1dcy n LYS 108 Ca -0.01 -0.06 0.03 0.00 -1.05 0.00 0.00 58.31 57.22 1dcy n LYS 108 Cb 0.08 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 1dcy n LYS 108 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1dcy n TYR 109 N -1.20 0.00 -0.11 5.58 0.53 0.25 -4.68 117.16 117.53 1dcy n TYR 109 Ca 0.15 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 56.97 1dcy n TYR 109 Cb 0.25 0.00 0.01 0.00 -1.03 0.00 0.00 39.34 38.57 1dcy n TYR 109 CO 0.00 0.00 0.00 0.37 -1.02 0.00 0.00 176.86 176.21 1dcy h GLN 110 N 0.77 0.05 -1.66 -0.72 4.15 -1.48 0.56 115.11 116.79 1dcy h GLN 110 Ca 0.00 -0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.79 1dcy h GLN 110 Cb 0.23 -0.01 -0.39 0.00 0.21 0.00 0.00 27.48 27.51 1dcy h GLN 110 CO 0.00 0.03 -0.39 0.66 -1.93 0.00 0.00 178.83 177.20 1dcy n TYR 111 N -5.24 3.37 -2.58 3.99 4.01 -1.26 -2.77 117.16 116.69 1dcy n TYR 111 Ca 0.02 -3.03 -0.43 0.00 -0.16 0.00 0.00 57.90 54.30 1dcy n TYR 111 Cb 0.20 -0.31 -0.02 0.00 -0.31 0.00 0.00 39.34 38.89 1dcy n TYR 111 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1dcy s TYR 112 N -3.64 3.26 0.05 -0.72 6.14 -1.12 -5.00 117.35 116.32 1dcy s TYR 112 Ca 0.49 1.36 -0.31 0.00 0.64 0.00 0.00 57.07 59.25 1dcy s TYR 112 Cb 0.40 -3.33 -0.06 0.00 0.42 0.00 0.00 41.96 39.40 1dcy s TYR 112 CO -0.23 -0.83 1.22 0.45 0.64 0.00 0.00 175.55 176.81 1dcy s SER 113 N 1.38 7.04 0.35 4.32 0.15 -1.26 -4.67 113.70 121.02 1dcy s SER 113 Ca 0.50 2.03 0.26 0.00 0.70 0.00 0.00 55.95 59.44 1dcy s SER 113 Cb -0.19 -2.58 1.21 0.00 -1.71 0.00 0.00 66.02 62.75 1dcy s SER 113 CO 0.15 -0.51 1.79 0.78 1.20 0.00 0.00 173.24 176.65 1dcy h ASN 114 N 6.92 0.00 0.73 5.45 4.21 -1.93 -1.86 115.58 129.09 1dcy h ASN 114 Ca -0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.10 1dcy h ASN 114 Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1dcy h ASN 114 CO 0.83 0.00 0.00 2.29 -1.29 0.00 0.00 177.43 179.26 1dcy n LYS 115 N -2.43 0.17 -0.56 0.81 2.85 -1.26 -1.88 118.16 115.87 1dcy n LYS 115 Ca 0.00 0.39 0.10 0.00 -1.05 0.00 0.00 58.31 57.75 1dcy n LYS 115 Cb 0.17 -1.82 0.35 0.00 -0.65 0.00 0.00 35.03 33.09 1dcy n LYS 115 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1dcy n HIS 116 N -2.13 1.36 -3.43 5.58 8.25 -0.70 -4.92 115.22 119.22 1dcy n HIS 116 Ca 0.02 -0.58 -0.38 0.00 -0.26 0.00 0.00 57.72 56.52 1dcy n HIS 116 Cb 0.23 -0.18 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 1dcy n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dcy n ARG 118 N 4.93 0.62 0.00 0.00 1.74 -1.26 -4.58 116.66 118.11 1dcy n ARG 118 Ca -0.09 -3.52 0.00 0.00 -0.77 0.00 0.00 57.85 53.46 1dcy n ARG 118 Cb 0.51 1.69 0.00 0.00 -1.02 0.00 0.00 32.46 33.64 1dcy n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dcy n GLY 119 N -0.87 0.60 3.72 -0.13 0.00 -1.26 -1.38 105.19 105.87 1dcy n GLY 119 Ca -0.09 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 1dcy n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dcy s SER 120 N 0.00 7.40 -0.06 1.61 1.04 -1.26 -4.35 113.70 118.08 1dcy s SER 120 Ca 0.00 1.68 -0.30 0.00 0.48 0.00 0.00 55.95 57.81 1dcy s SER 120 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1dcy s SER 120 CO 0.00 -0.12 1.05 -0.89 0.98 0.00 0.00 173.24 174.26 1dcy s THR 121 N 0.35 4.65 0.52 2.02 2.01 -1.26 -3.46 115.64 120.46 1dcy s THR 121 Ca 0.47 1.92 -0.21 0.00 0.31 0.00 0.00 61.69 64.18 1dcy s THR 121 Cb -0.22 -4.23 -0.06 0.00 0.01 0.00 0.00 72.50 67.99 1dcy s THR 121 CO 0.28 0.05 1.15 -2.16 -0.69 0.00 0.00 174.62 173.24 1dcy s PRO 122 N 1.75 3.48 0.42 4.92 0.04 -1.26 -4.98 135.00 139.37 1dcy s PRO 122 Ca 0.51 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.31 1dcy s PRO 122 Cb -0.21 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1dcy s PRO 122 CO 0.22 -0.76 0.52 -0.98 0.04 0.00 0.00 177.00 176.04 1dcy s ARG 123 N -3.08 2.76 0.00 4.56 1.70 -1.26 -5.09 118.95 118.54 1dcy s ARG 123 Ca 0.70 -1.31 0.27 0.00 -0.47 0.00 0.00 55.73 54.91 1dcy s ARG 123 Cb -0.26 -2.66 0.86 0.00 -0.57 0.00 0.00 34.95 32.31 1dcy s ARG 123 CO 0.30 -0.25 1.64 0.00 -1.08 0.00 0.00 175.30 175.91