#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.37 -0.68 -0.78 3.07 -2.05 0.26 114.58 114.77 2k0f h GLU 2 Ca 0.00 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2k0f h GLU 2 Cb 0.00 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 2k0f h GLU 2 CO 0.00 0.24 0.41 0.93 -1.40 0.00 0.00 179.01 179.19 2k0f h GLU 3 N 0.38 0.93 -0.06 2.33 5.08 -2.05 -1.49 114.58 119.70 2k0f h GLU 3 Ca 0.59 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.71 2k0f h GLU 3 Cb 1.53 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.59 2k0f h GLU 3 CO -0.29 0.67 -0.58 1.96 -1.00 0.00 0.00 179.01 179.77 2k0f h GLN 4 N 0.93 0.49 -0.77 2.33 4.20 -1.47 -1.74 115.11 119.08 2k0f h GLN 4 Ca 0.24 -0.45 0.15 0.00 0.06 0.00 0.00 58.65 58.65 2k0f h GLN 4 Cb -0.02 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 2k0f h GLN 4 CO -0.05 1.09 0.51 0.82 -0.67 0.00 0.00 178.83 180.54 2k0f h ILE 5 N 0.05 0.79 0.00 2.54 1.08 -0.39 0.19 117.51 121.76 2k0f h ILE 5 Ca -0.06 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2k0f h ILE 5 Cb 1.25 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2k0f h ILE 5 CO 0.12 0.08 0.00 0.00 -0.69 0.00 0.00 178.15 177.65 2k0f h ALA 6 N 1.64 1.00 0.06 1.87 0.00 -1.11 -2.60 119.26 120.12 2k0f h ALA 6 Ca 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2k0f h ALA 6 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k0f h ALA 6 CO -0.12 0.00 -0.03 1.49 0.00 0.00 0.00 179.25 180.59 2k0f h GLU 7 N 0.00 -0.08 0.29 0.00 4.81 -0.05 -1.59 114.58 117.97 2k0f h GLU 7 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 7 Cb 0.83 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2k0f h GLU 7 CO 0.00 0.44 -0.23 0.74 -0.73 0.00 0.00 179.01 179.23 2k0f h PHE 8 N -0.64 -0.61 -0.45 0.92 0.04 -1.48 -2.52 116.94 112.20 2k0f h PHE 8 Ca -0.01 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.85 2k0f h PHE 8 Cb 0.55 0.23 -0.08 0.00 2.20 0.00 0.00 35.95 38.85 2k0f h PHE 8 CO 0.11 -0.35 -0.04 -0.22 -0.60 0.00 0.00 178.31 177.20 2k0f h LYS 9 N -0.53 0.06 -0.32 1.51 1.63 -1.55 -1.06 116.57 116.32 2k0f h LYS 9 Ca -0.02 -0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.62 2k0f h LYS 9 Cb 0.47 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2k0f h LYS 9 CO -0.01 0.04 -0.43 0.93 -3.45 0.00 0.00 179.45 176.52 2k0f h GLU 10 N 0.06 0.86 -0.38 1.90 4.39 -1.33 -1.86 114.58 118.22 2k0f h GLU 10 Ca 0.22 -0.50 0.03 0.00 0.34 0.00 0.00 59.36 59.46 2k0f h GLU 10 Cb 0.34 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2k0f h GLU 10 CO -0.41 1.13 0.26 0.00 -1.16 0.00 0.00 179.01 178.83 2k0f h ALA 11 N 0.71 1.85 0.27 3.43 0.00 -1.42 -0.83 119.26 123.27 2k0f h ALA 11 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k0f h ALA 11 Cb 1.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2k0f h ALA 11 CO 0.10 0.10 -0.13 0.35 0.00 0.00 0.00 179.25 179.67 2k0f h PHE 12 N 0.41 -0.34 -0.78 0.00 3.04 -0.86 -3.09 116.94 115.32 2k0f h PHE 12 Ca 0.16 -0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.26 2k0f h PHE 12 Cb 0.12 0.11 -0.15 0.00 2.56 0.00 0.00 35.95 38.59 2k0f h PHE 12 CO -0.00 0.02 -0.18 0.77 -2.02 0.00 0.00 178.31 176.91 2k0f h SER 13 N -0.82 -0.69 -0.53 0.41 0.02 -1.26 -2.18 113.55 108.50 2k0f h SER 13 Ca -0.04 0.23 0.11 0.00 -0.84 0.00 0.00 61.79 61.25 2k0f h SER 13 Cb 0.51 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 63.42 2k0f h SER 13 CO 0.06 -0.25 -0.16 0.25 -1.14 0.00 0.00 176.83 175.59 2k0f h LEU 14 N 0.01 -0.56 -0.44 5.07 6.46 -1.18 -3.18 115.31 121.49 2k0f h LEU 14 Ca 0.38 0.17 -0.11 0.00 -0.12 0.00 0.00 57.88 58.20 2k0f h LEU 14 Cb 0.59 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 2k0f h LEU 14 CO -0.79 -0.20 -0.15 -0.26 -0.62 0.00 0.00 178.44 176.42 2k0f h PHE 15 N -0.03 0.99 -3.16 1.25 0.04 -1.38 -3.45 116.94 111.20 2k0f h PHE 15 Ca 0.25 -0.23 -0.53 0.00 2.80 0.00 0.00 57.97 60.27 2k0f h PHE 15 Cb 0.41 -0.24 0.02 0.00 2.20 0.00 0.00 35.95 38.34 2k0f h PHE 15 CO -0.46 1.00 0.64 0.34 -0.60 0.00 0.00 178.31 179.22 2k0f s ASP 16 N -6.53 6.96 -0.13 2.17 -1.08 -0.85 -4.69 116.67 112.52 2k0f s ASP 16 Ca -0.12 2.20 0.15 0.00 -0.52 0.00 0.00 52.55 54.27 2k0f s ASP 16 Cb 0.11 -2.59 -0.24 0.00 -1.46 0.00 0.00 42.92 38.74 2k0f s ASP 16 CO 0.84 -0.54 0.35 0.29 0.52 0.00 0.00 175.17 176.63 2k0f n LYS 17 N 3.68 0.66 -0.03 4.34 4.76 -1.26 -4.12 118.16 126.19 2k0f n LYS 17 Ca 0.09 0.13 -0.14 0.00 -2.87 0.00 0.00 58.31 55.53 2k0f n LYS 17 Cb 0.44 -1.65 -0.11 0.00 -1.84 0.00 0.00 35.03 31.87 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2k0f h ASP 18 N 0.00 0.14 -0.08 4.39 3.32 -1.94 -3.48 116.42 118.76 2k0f h ASP 18 Ca -0.42 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 55.93 2k0f h ASP 18 Cb 2.13 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.64 2k0f h ASP 18 CO 0.05 0.81 0.00 0.61 -1.72 0.00 0.00 179.24 179.00 2k0f n GLY 19 N 0.81 1.18 0.00 2.75 0.00 -1.26 -5.10 105.19 103.57 2k0f n GLY 19 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.18 0.00 -0.38 1.61 5.68 -1.26 -5.07 116.55 117.30 2k0f n ASP 20 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 2k0f n ASP 20 Cb 0.05 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.03 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 4.07 -0.07 2.65 6.12 0.00 -1.26 -5.06 105.19 111.64 2k0f n GLY 21 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 0.07 -0.45 2.61 -4.23 -1.26 -4.26 115.64 108.12 2k0f s THR 22 Ca 0.00 -0.17 -0.20 0.00 -1.18 0.00 0.00 61.69 60.14 2k0f s THR 22 Cb 0.00 -0.63 0.03 0.00 1.34 0.00 0.00 72.50 73.24 2k0f s THR 22 CO 0.00 -0.19 0.60 -0.63 -0.54 0.00 0.00 174.62 173.87 2k0f s ILE 23 N 2.07 4.88 0.82 2.99 1.01 -0.53 -4.90 121.20 127.54 2k0f s ILE 23 Ca 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.43 2k0f s ILE 23 Cb -0.16 -4.20 0.12 0.00 0.01 0.00 0.00 42.46 38.24 2k0f s ILE 23 CO -0.08 -0.63 1.16 0.42 0.00 0.00 0.00 174.94 175.81 2k0f s THR 24 N 2.65 2.10 0.16 2.92 -4.23 -1.26 -2.54 115.64 115.44 2k0f s THR 24 Ca 0.19 -0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 60.38 2k0f s THR 24 Cb -0.16 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.77 2k0f s THR 24 CO 0.16 0.00 1.75 0.71 -0.54 0.00 0.00 174.62 176.70 2k0f h THR 25 N -1.06 0.90 -0.80 3.99 1.35 -1.96 -2.98 112.91 112.35 2k0f h THR 25 Ca -0.44 -0.10 0.12 0.00 -0.55 0.00 0.00 66.41 65.44 2k0f h THR 25 Cb 1.28 0.59 -0.08 0.00 -1.73 0.00 0.00 68.15 68.21 2k0f h THR 25 CO 0.51 0.05 0.42 0.07 -0.25 0.00 0.00 175.52 176.32 2k0f h LYS 26 N 0.29 0.64 0.11 4.72 2.10 -1.98 0.85 116.57 123.31 2k0f h LYS 26 Ca 0.17 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 2k0f h LYS 26 Cb 0.14 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2k0f h LYS 26 CO -0.17 0.43 -0.05 0.93 -2.00 0.00 0.00 179.45 178.59 2k0f h GLU 27 N 0.66 -0.14 0.04 0.07 5.08 -1.90 -2.33 114.58 116.05 2k0f h GLU 27 Ca 0.41 0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.55 2k0f h GLU 27 Cb 0.49 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k0f h GLU 27 CO -0.31 -0.05 -1.01 1.25 -1.00 0.00 0.00 179.01 177.89 2k0f h LEU 28 N -0.20 0.39 -0.61 1.33 6.46 -1.43 -2.50 115.31 118.74 2k0f h LEU 28 Ca -0.02 -0.35 0.09 0.00 -0.12 0.00 0.00 57.88 57.49 2k0f h LEU 28 Cb 0.16 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 39.90 2k0f h LEU 28 CO 0.03 1.19 0.24 1.23 -0.62 0.00 0.00 178.44 180.50 2k0f h GLY 29 N 1.61 0.86 0.40 3.75 0.00 -0.90 -1.61 103.07 107.17 2k0f h GLY 29 Ca -0.08 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.16 2k0f h GLY 29 CO 0.16 -0.01 -0.21 -0.84 0.00 0.00 0.00 176.54 175.64 2k0f h THR 30 N 0.43 0.48 -0.39 4.70 2.02 -1.36 -0.50 112.91 118.29 2k0f h THR 30 Ca 0.31 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.56 2k0f h THR 30 Cb 0.37 0.48 -0.09 0.00 -1.74 0.00 0.00 68.15 67.17 2k0f h THR 30 CO -0.30 0.00 -0.36 0.58 0.37 0.00 0.00 175.52 175.81 2k0f h VAL 31 N -0.29 0.19 -0.51 3.16 2.07 -1.25 0.91 116.25 120.53 2k0f h VAL 31 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 2k0f h VAL 31 Cb 0.41 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2k0f h VAL 31 CO -0.26 0.00 0.23 0.24 0.02 0.00 0.00 177.57 177.81 2k0f h MET 32 N -0.29 0.44 -0.03 1.57 2.86 -0.77 -1.48 114.93 117.23 2k0f h MET 32 Ca 0.16 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 2k0f h MET 32 Cb 0.56 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2k0f h MET 32 CO -0.54 0.29 -0.43 0.00 1.06 0.00 0.00 176.91 177.29 2k0f h ARG 33 N 0.46 0.07 0.21 1.72 3.08 -0.80 0.41 114.38 119.52 2k0f h ARG 33 Ca 0.23 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2k0f h ARG 33 Cb 0.17 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2k0f h ARG 33 CO -0.18 0.48 -0.10 0.77 -1.07 0.00 0.00 179.97 179.87 2k0f h SER 34 N 0.06 -0.23 0.56 7.04 0.02 -0.52 -3.13 113.55 117.35 2k0f h SER 34 Ca 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2k0f h SER 34 Cb 0.78 0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.38 2k0f h SER 34 CO 0.06 -0.14 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.27 2k0f h LEU 35 N -0.30 -0.64 0.00 5.07 3.38 -1.07 -3.44 115.31 118.30 2k0f h LEU 35 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 35 Cb 0.23 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2k0f h LEU 35 CO 0.05 -0.41 0.00 0.61 0.09 0.00 0.00 178.44 178.77 2k0f n GLY 36 N -0.98 0.00 2.71 0.83 0.00 0.12 -5.03 105.19 102.83 2k0f n GLY 36 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.30 -0.81 1.61 0.74 0.27 -4.94 119.66 116.82 2k0f s GLN 37 Ca 0.00 0.11 -0.12 0.00 0.05 0.00 0.00 55.36 55.41 2k0f s GLN 37 Cb 0.00 -1.07 0.21 0.00 1.10 0.00 0.00 33.01 33.25 2k0f s GLN 37 CO 0.00 -0.40 0.73 1.21 -0.55 0.00 0.00 175.29 176.28 2k0f s ASN 38 N 2.05 6.53 0.73 6.67 2.47 -1.26 -2.50 114.94 129.63 2k0f s ASN 38 Ca 0.04 -2.79 -0.14 0.00 0.42 0.00 0.00 52.86 50.39 2k0f s ASN 38 Cb -0.13 -2.15 0.04 0.00 -1.45 0.00 0.00 41.25 37.56 2k0f s ASN 38 CO -0.05 -0.51 1.15 -2.16 -3.72 0.00 0.00 177.10 171.81 2k0f s PRO 39 N 0.01 2.24 0.12 0.43 0.04 -1.26 -5.03 135.00 131.55 2k0f s PRO 39 Ca 0.19 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 2k0f s PRO 39 Cb -0.12 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 2k0f s PRO 39 CO -0.08 -1.71 0.86 0.95 0.04 0.00 0.00 177.00 177.06 2k0f s THR 40 N -2.29 4.47 0.40 1.26 -4.23 -1.26 -5.00 115.64 108.99 2k0f s THR 40 Ca 0.69 1.87 0.08 0.00 -1.18 0.00 0.00 61.69 63.15 2k0f s THR 40 Cb -0.24 -4.23 0.22 0.00 1.34 0.00 0.00 72.50 69.60 2k0f s THR 40 CO 0.47 0.40 2.00 -0.33 -0.54 0.00 0.00 174.62 176.62 2k0f h GLU 41 N 5.13 0.42 0.08 3.99 4.39 -1.98 -1.95 114.58 124.66 2k0f h GLU 41 Ca -0.44 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 2k0f h GLU 41 Cb 1.21 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2k0f h GLU 41 CO 0.70 0.37 -0.04 0.00 -1.16 0.00 0.00 179.01 178.88 2k0f h ALA 42 N 1.70 -0.11 0.00 3.43 0.00 -1.99 -2.01 119.26 120.28 2k0f h ALA 42 Ca 0.11 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 42 Cb 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k0f h ALA 42 CO -0.01 -0.42 -0.47 1.49 0.00 0.00 0.00 179.25 179.84 2k0f h GLU 43 N -0.38 0.00 -0.23 0.00 4.81 -1.98 -2.10 114.58 114.70 2k0f h GLU 43 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 43 Cb 0.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2k0f h GLU 43 CO 0.02 0.47 0.14 1.25 -0.73 0.00 0.00 179.01 180.16 2k0f h LEU 44 N 0.00 0.27 -0.72 1.64 5.85 -1.34 -2.16 115.31 118.85 2k0f h LEU 44 Ca -0.00 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 2k0f h LEU 44 Cb 0.84 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2k0f h LEU 44 CO 0.06 0.22 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.49 2k0f h GLN 45 N 0.29 0.67 -0.76 1.25 4.15 -1.20 -3.05 115.11 116.46 2k0f h GLN 45 Ca 0.08 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 2k0f h GLN 45 Cb -0.00 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 2k0f h GLN 45 CO -0.02 0.88 0.46 0.22 -1.93 0.00 0.00 178.83 178.44 2k0f h ASP 46 N 0.58 0.91 0.40 -0.69 3.58 -0.97 0.27 116.42 120.50 2k0f h ASP 46 Ca 0.07 -0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 2k0f h ASP 46 Cb 0.78 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 2k0f h ASP 46 CO 0.06 0.70 -0.62 0.24 -2.88 0.00 0.00 179.24 176.75 2k0f h MET 47 N 1.05 0.22 0.14 0.28 2.86 -1.39 -0.93 114.93 117.16 2k0f h MET 47 Ca 0.27 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2k0f h MET 47 Cb -0.04 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2k0f h MET 47 CO -0.05 0.77 -0.07 0.82 1.06 0.00 0.00 176.91 179.44 2k0f h ILE 48 N 0.16 1.02 -0.18 -1.22 2.04 -1.35 -3.29 117.51 114.70 2k0f h ILE 48 Ca -0.01 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.11 2k0f h ILE 48 Cb 1.13 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2k0f h ILE 48 CO 0.10 0.18 0.13 -1.13 0.00 0.00 0.00 178.15 177.43 2k0f h ASN 49 N -0.57 0.00 -0.89 1.72 -1.24 -0.29 -2.37 115.58 111.95 2k0f h ASN 49 Ca -0.02 -0.00 0.23 0.00 0.71 0.00 0.00 56.30 57.22 2k0f h ASN 49 Cb 0.44 -0.00 -0.16 0.00 0.73 0.00 0.00 38.32 39.33 2k0f h ASN 49 CO 0.03 0.00 0.08 -0.08 -1.29 0.00 0.00 177.43 176.17 2k0f h GLU 50 N 0.01 0.09 -0.00 6.67 4.81 -1.23 -1.91 114.58 123.01 2k0f h GLU 50 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2k0f h GLU 50 Cb 0.34 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2k0f h GLU 50 CO -0.00 0.06 -0.59 1.33 -0.73 0.00 0.00 179.01 179.08 2k0f n VAL 51 N -5.37 0.00 -2.30 0.32 0.24 -0.91 -4.93 118.33 105.38 2k0f n VAL 51 Ca 0.20 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.34 62.05 2k0f n VAL 51 Cb 0.66 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.53 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -2.89 6.97 -0.04 -1.34 -1.08 -0.72 -4.88 116.67 112.69 2k0f s ASP 52 Ca 0.13 2.22 -0.21 0.00 -0.52 0.00 0.00 52.55 54.17 2k0f s ASP 52 Cb 0.17 -2.59 -0.15 0.00 -1.46 0.00 0.00 42.92 38.90 2k0f s ASP 52 CO 0.71 -0.51 0.88 0.00 0.52 0.00 0.00 175.17 176.76 2k0f h ALA 53 N 6.21 -0.29 -0.64 3.66 0.00 -1.92 -3.24 119.26 123.05 2k0f h ALA 53 Ca -0.43 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 53 Cb 1.21 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 2k0f h ALA 53 CO 0.81 -0.36 0.42 -0.44 0.00 0.00 0.00 179.25 179.68 2k0f h ASP 54 N -0.89 0.52 0.00 0.00 3.32 -1.95 -3.47 116.42 113.95 2k0f h ASP 54 Ca -0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2k0f h ASP 54 Cb 0.50 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2k0f h ASP 54 CO 0.05 0.33 0.00 0.61 -1.72 0.00 0.00 179.24 178.51 2k0f n GLY 55 N -1.48 0.45 0.09 2.75 0.00 -1.23 -4.98 105.19 100.80 2k0f n GLY 55 Ca 0.10 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 -1.07 -1.90 -3.50 115.58 110.72 2k0f h ASN 56 Ca 0.00 -0.38 0.00 0.00 0.07 0.00 0.00 56.30 55.99 2k0f h ASN 56 Cb 0.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.51 2k0f h ASN 56 CO 0.00 1.28 0.00 0.61 0.07 0.00 0.00 177.43 179.39 2k0f n GLY 57 N 1.49 0.82 2.93 9.14 0.00 -1.26 -4.96 105.19 113.35 2k0f n GLY 57 Ca -0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 2k0f n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 58 N -0.94 -0.46 -0.12 2.61 2.01 -1.26 -4.58 115.64 112.91 2k0f s THR 58 Ca 0.00 0.06 -0.22 0.00 0.31 0.00 0.00 61.69 61.83 2k0f s THR 58 Cb 0.00 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 2k0f s THR 58 CO 0.00 -0.05 0.68 -0.51 -0.69 0.00 0.00 174.62 174.05 2k0f s ILE 59 N 2.44 5.03 0.64 1.82 2.07 -1.05 -4.81 121.20 127.34 2k0f s ILE 59 Ca 0.06 1.36 0.04 0.00 -1.41 0.00 0.00 60.65 60.70 2k0f s ILE 59 Cb -0.14 -4.01 0.10 0.00 0.13 0.00 0.00 42.46 38.54 2k0f s ILE 59 CO -0.12 0.19 0.88 -1.81 -1.91 0.00 0.00 174.94 172.18 2k0f s ASP 60 N 0.93 4.74 0.08 4.50 1.11 -1.26 -1.46 116.67 125.31 2k0f s ASP 60 Ca 0.34 -0.57 -0.15 0.00 0.18 0.00 0.00 52.55 52.36 2k0f s ASP 60 Cb -0.17 0.08 -0.17 0.00 1.07 0.00 0.00 42.92 43.73 2k0f s ASP 60 CO 0.15 -1.58 1.26 0.15 1.18 0.00 0.00 175.17 176.33 2k0f h PHE 61 N -0.16 0.94 -0.17 4.23 3.04 -1.97 0.18 116.94 123.03 2k0f h PHE 61 Ca -0.34 -0.43 -0.02 0.00 3.98 0.00 0.00 57.97 61.16 2k0f h PHE 61 Cb 1.28 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 2k0f h PHE 61 CO 0.11 1.24 0.01 -1.35 -2.02 0.00 0.00 178.31 176.30 2k0f h PRO 62 N 0.37 0.24 0.20 6.41 0.11 -1.97 -1.41 132.00 135.95 2k0f h PRO 62 Ca -0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 2k0f h PRO 62 Cb 1.34 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2k0f h PRO 62 CO 0.14 0.26 -0.10 0.93 -0.21 0.00 0.00 178.00 179.03 2k0f h GLU 63 N 0.24 -0.26 -0.62 1.05 5.08 -1.88 -2.89 114.58 115.30 2k0f h GLU 63 Ca 0.06 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2k0f h GLU 63 Cb 0.16 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 2k0f h GLU 63 CO 0.00 0.07 -0.33 0.34 -1.00 0.00 0.00 179.01 178.09 2k0f n PHE 64 N -4.95 -0.19 0.27 4.33 7.35 0.04 -1.12 117.46 123.20 2k0f n PHE 64 Ca -0.06 0.77 0.13 0.00 -0.76 0.00 0.00 57.45 57.53 2k0f n PHE 64 Cb 0.22 -0.60 0.75 0.00 0.35 0.00 0.00 39.48 40.20 2k0f n PHE 64 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2k0f h LEU 65 N 0.00 0.00 0.19 -2.13 3.38 -1.28 -1.23 115.31 114.24 2k0f h LEU 65 Ca 0.13 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.84 2k0f h LEU 65 Cb 0.29 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.07 2k0f h LEU 65 CO -0.59 0.10 -1.18 0.74 0.09 0.00 0.00 178.44 177.59 2k0f h THR 66 N 0.00 1.35 0.18 0.22 2.02 -0.98 -2.96 112.91 112.74 2k0f h THR 66 Ca -0.00 -2.59 0.01 0.00 0.77 0.00 0.00 66.41 64.60 2k0f h THR 66 Cb 0.27 3.08 -0.04 0.00 -1.74 0.00 0.00 68.15 69.72 2k0f h THR 66 CO 0.01 0.76 -0.47 -0.03 0.37 0.00 0.00 175.52 176.16 2k0f h MET 67 N -0.13 -0.72 0.00 6.66 1.85 -0.70 -3.08 114.93 118.81 2k0f h MET 67 Ca -0.21 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 2k0f h MET 67 Cb 1.89 0.16 0.00 0.00 0.43 0.00 0.00 31.60 34.09 2k0f h MET 67 CO 0.20 -0.48 -0.20 0.52 -0.40 0.00 0.00 176.91 176.55 2k0f h MET 68 N -0.74 0.00 -0.00 0.39 2.86 -1.37 -3.18 114.93 112.88 2k0f h MET 68 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 68 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2k0f h MET 68 CO -0.23 0.00 -0.13 0.00 1.06 0.00 0.00 176.91 177.61 2k0f n ALA 69 N -1.96 2.79 -2.68 6.32 0.00 -1.12 -4.83 120.51 119.04 2k0f n ALA 69 Ca 0.04 -0.27 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 2k0f n ALA 69 Cb 0.49 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.51 4.31 0.25 0.00 3.52 -1.16 -5.05 118.95 118.31 2k0f s ARG 70 Ca 0.27 0.88 -0.12 0.00 -0.13 0.00 0.00 55.73 56.64 2k0f s ARG 70 Cb 0.20 -3.55 -0.00 0.00 -1.56 0.00 0.00 34.95 30.04 2k0f s ARG 70 CO 0.49 -0.22 0.48 -1.59 -0.81 0.00 0.00 175.30 173.65 2k0f s LYS 71 N 1.78 1.58 0.00 5.12 -2.85 -1.26 -5.02 119.74 119.09 2k0f s LYS 71 Ca 0.36 -1.29 0.00 0.00 -1.00 0.00 0.00 55.97 54.03 2k0f s LYS 71 Cb -0.17 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 2k0f s LYS 71 CO 0.13 -0.66 0.00 -1.33 0.10 0.00 0.00 175.35 173.60 2k0f n MET 72 N -0.39 0.00 -2.12 1.78 2.81 -1.26 -5.13 117.12 112.81 2k0f n MET 72 Ca -0.01 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.58 2k0f n MET 72 Cb 0.62 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 33.15 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N 2.55 3.23 0.00 0.03 -2.85 -1.26 -4.94 119.74 116.50 2k0f s LYS 73 Ca 0.00 0.41 0.28 0.00 -1.00 0.00 0.00 55.97 55.66 2k0f s LYS 73 Cb 0.00 -2.15 0.98 0.00 -2.06 0.00 0.00 37.83 34.59 2k0f s LYS 73 CO 0.00 -0.67 1.70 -0.25 0.10 0.00 0.00 175.35 176.23 2k0f n ASP 74 N -2.71 1.47 0.08 0.03 8.00 -1.26 -3.52 116.55 118.64 2k0f n ASP 74 Ca 0.05 -1.42 -0.11 0.00 0.71 0.00 0.00 54.79 54.02 2k0f n ASP 74 Cb 0.56 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 2.24 1.44 0.00 -3.53 1.35 -2.02 -3.25 112.91 109.14 2k0f h THR 75 Ca 0.00 -2.53 -0.15 0.00 -0.55 0.00 0.00 66.41 63.18 2k0f h THR 75 Cb 0.52 2.44 -0.02 0.00 -1.73 0.00 0.00 68.15 69.35 2k0f h THR 75 CO 0.00 0.75 -0.72 0.44 -0.25 0.00 0.00 175.52 175.73 2k0f h ASP 76 N 0.17 0.00 -0.04 5.36 3.32 -1.97 -3.27 116.42 120.00 2k0f h ASP 76 Ca -0.06 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.00 2k0f h ASP 76 Cb 1.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.09 2k0f h ASP 76 CO 0.15 0.72 0.03 0.28 -1.72 0.00 0.00 179.24 178.71 2k0f h SER 77 N 0.00 0.00 0.03 6.45 0.02 -1.69 0.18 113.55 118.54 2k0f h SER 77 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k0f h SER 77 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2k0f h SER 77 CO 0.09 0.00 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.44 2k0f h GLU 78 N 0.00 -0.04 -0.70 3.45 5.08 -1.68 -3.32 114.58 117.36 2k0f h GLU 78 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 78 Cb 0.09 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2k0f h GLU 78 CO -0.00 0.65 0.35 1.49 -1.00 0.00 0.00 179.01 180.50 2k0f h GLU 79 N -0.89 0.99 -0.52 2.33 4.81 -1.52 -2.30 114.58 117.48 2k0f h GLU 79 Ca -0.00 -0.13 0.10 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 79 Cb 0.71 -0.19 -0.10 0.00 0.63 0.00 0.00 28.75 29.80 2k0f h GLU 79 CO 0.01 0.75 -0.14 1.49 -0.73 0.00 0.00 179.01 180.39 2k0f h GLU 80 N 0.99 -0.01 -0.67 1.92 4.81 -0.82 -1.00 114.58 119.80 2k0f h GLU 80 Ca 0.24 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2k0f h GLU 80 Cb 0.08 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2k0f h GLU 80 CO -0.03 -0.01 0.27 0.82 -0.73 0.00 0.00 179.01 179.33 2k0f h ILE 81 N -0.01 1.24 -0.03 2.32 2.04 -1.52 0.18 117.51 121.73 2k0f h ILE 81 Ca 0.25 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 2k0f h ILE 81 Cb 0.39 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2k0f h ILE 81 CO -0.54 0.29 -0.00 0.03 0.00 0.00 0.00 178.15 177.93 2k0f h ARG 82 N 0.94 0.03 0.09 2.37 3.08 -1.08 0.41 114.38 120.22 2k0f h ARG 82 Ca 0.22 -0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.01 2k0f h ARG 82 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2k0f h ARG 82 CO -0.02 0.04 -1.25 0.93 -1.07 0.00 0.00 179.97 178.60 2k0f h GLU 83 N 0.03 0.19 -0.02 0.04 4.39 -0.60 -3.19 114.58 115.42 2k0f h GLU 83 Ca 0.01 -0.32 -0.21 0.00 0.34 0.00 0.00 59.36 59.17 2k0f h GLU 83 Cb 0.03 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2k0f h GLU 83 CO 0.00 1.12 -0.88 0.00 -1.16 0.00 0.00 179.01 178.08 2k0f h ALA 84 N 0.69 0.43 -0.68 3.43 0.00 -0.73 -3.18 119.26 119.22 2k0f h ALA 84 Ca -0.13 -0.68 0.09 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 84 Cb 1.93 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.62 2k0f h ALA 84 CO 0.17 0.81 0.32 0.35 0.00 0.00 0.00 179.25 180.90 2k0f h PHE 85 N 0.24 0.57 -0.00 0.00 3.57 -0.28 -3.10 116.94 117.94 2k0f h PHE 85 Ca -0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2k0f h PHE 85 Cb 1.51 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2k0f h PHE 85 CO 0.05 0.20 -0.05 2.89 -2.23 0.00 0.00 178.31 179.17 2k0f n ARG 86 N -4.90 0.84 -0.08 1.11 1.85 -1.21 -1.13 116.66 113.14 2k0f n ARG 86 Ca 0.10 -0.20 -0.12 0.00 -1.00 0.00 0.00 57.85 56.63 2k0f n ARG 86 Cb 0.27 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.14 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f h VAL 87 N 0.50 1.29 0.01 8.89 2.07 -1.52 -3.38 116.25 124.10 2k0f h VAL 87 Ca 0.00 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 2k0f h VAL 87 Cb 0.26 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2k0f h VAL 87 CO 0.00 0.34 -0.00 -0.26 0.02 0.00 0.00 177.57 177.67 2k0f h PHE 88 N 0.20 -0.01 -0.73 1.57 0.04 -1.16 -3.34 116.94 113.51 2k0f h PHE 88 Ca 0.06 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.27 2k0f h PHE 88 Cb 0.54 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.63 2k0f h PHE 88 CO 0.05 0.67 1.80 0.34 -0.60 0.00 0.00 178.31 180.57 2k0f s ASP 89 N -5.88 6.20 0.38 2.17 2.15 -0.30 -4.75 116.67 116.65 2k0f s ASP 89 Ca -0.17 -2.16 0.13 0.00 0.43 0.00 0.00 52.55 50.78 2k0f s ASP 89 Cb -0.00 -2.58 0.77 0.00 -0.30 0.00 0.00 42.92 40.81 2k0f s ASP 89 CO 0.67 -1.84 1.85 0.50 -0.17 0.00 0.00 175.17 176.18 2k0f h LYS 90 N 8.36 0.00 0.00 4.34 3.64 -1.74 -3.39 116.57 127.77 2k0f h LYS 90 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2k0f h LYS 90 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2k0f h LYS 90 CO 1.38 0.34 0.00 -0.40 -2.27 0.00 0.00 179.45 178.50 2k0f n ASP 91 N -4.13 0.00 0.00 4.20 5.68 -1.26 -5.05 116.55 115.99 2k0f n ASP 91 Ca -0.02 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 2k0f n ASP 91 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N 2.07 0.00 0.04 6.12 0.00 -1.26 -5.07 105.19 107.09 2k0f n GLY 92 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.88 0.00 1.61 6.94 -1.26 -5.03 115.26 118.40 2k0f n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k0f n ASN 93 Cb 0.00 1.43 0.00 0.00 -2.36 0.00 0.00 39.78 38.85 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.69 0.93 2.81 4.83 0.00 -1.26 -5.08 105.19 109.11 2k0f n GLY 94 Ca -0.14 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 1.20 -0.21 1.61 2.02 -1.26 -2.73 117.35 115.98 2k0f s TYR 95 Ca 0.00 -0.75 -0.29 0.00 -0.37 0.00 0.00 57.07 55.66 2k0f s TYR 95 Cb 0.00 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.47 2k0f s TYR 95 CO 0.00 -0.53 1.26 0.42 -1.57 0.00 0.00 175.55 175.13 2k0f s ILE 96 N 1.80 4.26 0.49 2.71 1.01 0.91 -4.85 121.20 127.52 2k0f s ILE 96 Ca 0.02 1.50 0.06 0.00 0.00 0.00 0.00 60.65 62.22 2k0f s ILE 96 Cb -0.15 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2k0f s ILE 96 CO -0.07 -0.25 0.30 -0.94 0.00 0.00 0.00 174.94 173.98 2k0f s SER 97 N 2.19 4.59 0.07 3.58 1.04 -1.26 -1.13 113.70 122.78 2k0f s SER 97 Ca 0.54 -1.16 -0.34 0.00 0.48 0.00 0.00 55.95 55.47 2k0f s SER 97 Cb -0.20 0.03 -0.20 0.00 0.10 0.00 0.00 66.02 65.76 2k0f s SER 97 CO 0.17 -0.86 1.61 0.00 0.98 0.00 0.00 173.24 175.13 2k0f h ALA 98 N 1.03 -1.04 -0.78 5.32 0.00 -1.96 0.47 119.26 122.30 2k0f h ALA 98 Ca -0.40 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2k0f h ALA 98 Cb 1.28 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2k0f h ALA 98 CO 0.62 -1.08 0.29 0.00 0.00 0.00 0.00 179.25 179.08 2k0f h ALA 99 N -0.80 1.02 -0.00 0.00 0.00 -1.99 -1.88 119.26 115.61 2k0f h ALA 99 Ca -0.11 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2k0f h ALA 99 Cb 0.80 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2k0f h ALA 99 CO 0.17 0.67 -0.36 1.49 0.00 0.00 0.00 179.25 181.23 2k0f h GLU 100 N 1.15 -0.44 -0.60 0.00 4.81 -1.95 -1.35 114.58 116.21 2k0f h GLU 100 Ca 0.26 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.64 2k0f h GLU 100 Cb 0.26 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 29.62 2k0f h GLU 100 CO -0.02 -0.29 -0.17 1.25 -0.73 0.00 0.00 179.01 179.05 2k0f h LEU 101 N -0.45 -0.63 -0.11 1.64 5.85 0.18 -1.22 115.31 120.57 2k0f h LEU 101 Ca 0.01 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2k0f h LEU 101 Cb 0.48 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2k0f h LEU 101 CO -0.24 -0.22 0.02 -0.09 -0.34 0.00 0.00 178.44 177.57 2k0f h ARG 102 N -0.03 0.06 0.34 1.25 2.43 -1.31 -2.19 114.38 114.95 2k0f h ARG 102 Ca 0.28 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2k0f h ARG 102 Cb 0.46 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2k0f h ARG 102 CO -0.63 0.04 -0.16 1.25 -1.51 0.00 0.00 179.97 178.96 2k0f h HIS 103 N 0.06 -0.43 -1.00 2.20 2.76 -0.44 -1.35 115.15 116.96 2k0f h HIS 103 Ca 0.05 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.32 2k0f h HIS 103 Cb 0.04 0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.06 2k0f h HIS 103 CO -0.12 -0.19 0.63 -0.39 -1.30 0.00 0.00 177.93 176.57 2k0f h VAL 104 N -0.59 0.95 0.07 5.26 -1.51 -1.22 -2.25 116.25 116.97 2k0f h VAL 104 Ca -0.05 -0.35 -0.24 0.00 -1.23 0.00 0.00 66.70 64.83 2k0f h VAL 104 Cb 0.43 -0.16 -0.00 0.00 -2.13 0.00 0.00 31.29 29.43 2k0f h VAL 104 CO 0.08 0.19 -1.09 0.24 -1.23 0.00 0.00 177.57 175.75 2k0f h MET 105 N 1.02 0.25 0.00 5.19 2.07 -1.30 -0.04 114.93 122.13 2k0f h MET 105 Ca 0.48 -0.37 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 2k0f h MET 105 Cb 0.43 0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.28 2k0f h MET 105 CO -0.24 1.13 0.00 1.15 1.07 0.00 0.00 176.91 180.02 2k0f h THR 106 N 0.10 0.00 0.08 2.22 2.02 -1.09 0.34 112.91 116.59 2k0f h THR 106 Ca -0.09 -0.69 -0.14 0.00 0.77 0.00 0.00 66.41 66.25 2k0f h THR 106 Cb 1.79 1.68 0.02 0.00 -1.74 0.00 0.00 68.15 69.90 2k0f h THR 106 CO 0.18 0.00 -0.60 0.78 0.37 0.00 0.00 175.52 176.24 2k0f h ASN 107 N 0.00 0.39 -0.29 4.18 2.35 -1.29 -3.36 115.58 117.56 2k0f h ASN 107 Ca 0.00 -0.91 0.07 0.00 -0.55 0.00 0.00 56.30 54.91 2k0f h ASN 107 Cb 0.71 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.89 2k0f h ASN 107 CO 0.00 1.26 -0.17 0.25 -1.65 0.00 0.00 177.43 177.12 2k0f h LEU 108 N -0.43 -0.58 0.00 1.61 5.85 -0.83 -3.33 115.31 117.60 2k0f h LEU 108 Ca -0.10 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k0f h LEU 108 Cb 1.43 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.76 2k0f h LEU 108 CO 0.11 -0.21 0.00 0.61 -0.34 0.00 0.00 178.44 178.61 2k0f n GLY 109 N -1.34 0.00 3.88 3.75 0.00 -0.01 -4.90 105.19 106.57 2k0f n GLY 109 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 3.17 -0.62 1.61 0.41 -0.48 -4.97 118.70 117.82 2k0f s GLU 110 Ca 0.00 -0.81 0.04 0.00 -0.41 0.00 0.00 54.97 53.79 2k0f s GLU 110 Cb 0.00 -2.77 0.36 0.00 -1.78 0.00 0.00 34.13 29.94 2k0f s GLU 110 CO 0.00 0.47 1.20 1.63 -0.49 0.00 0.00 175.26 178.06 2k0f n LYS 111 N -0.80 3.55 -2.45 1.61 5.02 -1.26 -4.37 118.16 119.47 2k0f n LYS 111 Ca -0.08 -4.63 -0.42 0.00 -2.02 0.00 0.00 58.31 51.16 2k0f n LYS 111 Cb 0.56 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.27 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k0f s LEU 112 N -3.66 4.25 1.18 -0.35 1.43 -1.26 -5.04 118.68 115.23 2k0f s LEU 112 Ca 0.48 1.78 -0.19 0.00 -1.03 0.00 0.00 54.13 55.17 2k0f s LEU 112 Cb 0.32 -3.55 0.28 0.00 0.03 0.00 0.00 46.19 43.26 2k0f s LEU 112 CO -0.18 -0.64 1.11 0.42 0.23 0.00 0.00 176.35 177.29 2k0f s THR 113 N 2.61 1.64 0.21 5.49 -4.23 -1.26 -4.85 115.64 115.26 2k0f s THR 113 Ca 0.56 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 2k0f s THR 113 Cb -0.24 -2.49 -0.08 0.00 1.34 0.00 0.00 72.50 71.03 2k0f s THR 113 CO 0.20 0.00 1.49 0.44 -0.54 0.00 0.00 174.62 176.21 2k0f h ASP 114 N -2.51 0.21 -0.66 3.99 3.32 -2.00 -1.98 116.42 116.77 2k0f h ASP 114 Ca -0.46 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 56.53 2k0f h ASP 114 Cb 1.30 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 2k0f h ASP 114 CO 0.37 0.85 0.44 -0.33 -1.72 0.00 0.00 179.24 178.85 2k0f h GLU 115 N 0.11 0.59 0.03 3.56 3.07 -1.99 -1.64 114.58 118.31 2k0f h GLU 115 Ca -0.02 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2k0f h GLU 115 Cb 1.27 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2k0f h GLU 115 CO 0.11 0.39 -0.01 0.93 -1.40 0.00 0.00 179.01 179.02 2k0f h GLU 116 N 0.61 -0.03 -0.52 2.33 5.08 -1.79 -1.84 114.58 118.41 2k0f h GLU 116 Ca 0.30 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.74 2k0f h GLU 116 Cb 0.37 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 116 CO -0.09 0.58 0.17 0.28 -1.00 0.00 0.00 179.01 178.94 2k0f h VAL 117 N -0.68 0.79 0.06 3.13 2.07 -1.09 -0.35 116.25 120.17 2k0f h VAL 117 Ca -0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2k0f h VAL 117 Cb 0.62 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2k0f h VAL 117 CO 0.01 0.06 -0.40 -0.78 0.02 0.00 0.00 177.57 176.48 2k0f h ASP 118 N 0.33 -1.21 -0.36 0.57 3.58 -1.38 -1.93 116.42 116.02 2k0f h ASP 118 Ca 0.26 0.13 0.08 0.00 0.42 0.00 0.00 57.03 57.91 2k0f h ASP 118 Cb 0.30 0.45 -0.09 0.00 1.72 0.00 0.00 39.33 41.71 2k0f h ASP 118 CO -0.28 -0.41 -0.29 -0.08 -2.88 0.00 0.00 179.24 175.31 2k0f h GLU 119 N -0.54 -0.23 0.00 0.28 4.81 -1.09 -2.04 114.58 115.77 2k0f h GLU 119 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 119 Cb 0.56 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2k0f h GLU 119 CO -0.23 -0.15 -0.10 0.52 -0.73 0.00 0.00 179.01 178.31 2k0f h MET 120 N -0.24 0.00 -0.02 1.92 2.86 -1.06 -1.06 114.93 117.34 2k0f h MET 120 Ca 0.17 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2k0f h MET 120 Cb 0.51 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k0f h MET 120 CO -0.50 0.10 -0.02 0.82 1.06 0.00 0.00 176.91 178.37 2k0f h ILE 121 N 0.00 1.41 -0.18 -1.22 1.08 -0.85 -3.08 117.51 114.67 2k0f h ILE 121 Ca -0.00 -1.24 -0.01 0.00 -0.39 0.00 0.00 64.86 63.22 2k0f h ILE 121 Cb 0.49 2.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 2k0f h ILE 121 CO 0.01 0.33 0.08 0.03 -0.69 0.00 0.00 178.15 177.91 2k0f h ARG 122 N -0.46 0.25 0.15 2.37 3.08 -0.62 -0.44 114.38 118.71 2k0f h ARG 122 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2k0f h ARG 122 Cb 0.55 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2k0f h ARG 122 CO 0.01 0.21 -0.07 1.49 -1.07 0.00 0.00 179.97 180.53 2k0f h GLU 123 N 0.25 -0.19 -0.35 0.04 4.81 -1.33 -3.33 114.58 114.48 2k0f h GLU 123 Ca 0.07 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 123 Cb 0.05 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 123 CO -0.01 0.26 -0.16 0.00 -0.73 0.00 0.00 179.01 178.37 2k0f h ALA 124 N -0.19 1.06 -2.48 2.92 0.00 -1.43 -3.42 119.26 115.71 2k0f h ALA 124 Ca -0.02 -0.32 -0.53 0.00 0.00 0.00 0.00 54.91 54.04 2k0f h ALA 124 Cb 0.54 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.20 2k0f h ALA 124 CO 0.03 0.57 0.94 0.34 0.00 0.00 0.00 179.25 181.14 2k0f s ASP 125 N -6.75 6.64 -0.19 0.00 2.15 -0.19 -4.90 116.67 113.43 2k0f s ASP 125 Ca -0.08 2.47 -0.11 0.00 0.43 0.00 0.00 52.55 55.26 2k0f s ASP 125 Cb 0.14 -2.57 -0.21 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 125 CO 0.81 -0.84 0.13 -0.38 -0.17 0.00 0.00 175.17 174.72 2k0f n ILE 126 N 4.50 1.63 -0.08 4.11 5.41 -1.26 -4.69 119.36 128.98 2k0f n ILE 126 Ca 0.15 -0.41 -0.22 0.00 1.00 0.00 0.00 62.75 63.26 2k0f n ILE 126 Cb 0.40 -1.80 -0.12 0.00 -0.71 0.00 0.00 39.64 37.41 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -3.85 1.92 0.00 4.38 5.68 -1.26 -5.00 116.55 118.42 2k0f n ASP 127 Ca -0.37 0.37 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 127 Cb 0.90 -0.93 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 1.55 -0.95 0.06 6.12 0.00 -1.26 -5.03 105.19 105.68 2k0f n GLY 128 Ca -0.33 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.78 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.39 0.00 1.61 5.68 -1.26 -4.94 116.55 118.02 2k0f n ASP 129 Ca 0.00 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 2k0f n ASP 129 Cb 0.00 1.22 0.00 0.00 -1.14 0.00 0.00 41.12 41.20 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.27 0.43 3.76 6.12 0.00 -1.26 -5.04 105.19 110.47 2k0f n GLY 130 Ca -0.05 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -1.47 3.05 -0.46 1.61 -0.21 -1.26 -4.70 119.66 116.21 2k0f s GLN 131 Ca 0.00 -0.46 -0.11 0.00 0.02 0.00 0.00 55.36 54.81 2k0f s GLN 131 Cb 0.00 -2.85 0.10 0.00 1.00 0.00 0.00 33.01 31.26 2k0f s GLN 131 CO 0.00 0.66 0.34 0.08 -2.12 0.00 0.00 175.29 174.25 2k0f s VAL 132 N -1.12 4.49 0.93 1.09 1.01 -0.29 -4.66 120.40 121.86 2k0f s VAL 132 Ca 0.20 -1.49 -0.13 0.00 0.00 0.00 0.00 61.98 60.56 2k0f s VAL 132 Cb -0.12 -3.82 0.21 0.00 0.00 0.00 0.00 36.38 32.65 2k0f s VAL 132 CO 0.11 -0.65 1.27 0.54 0.00 0.00 0.00 175.10 176.37 2k0f s ASN 133 N 2.55 3.14 0.15 3.32 2.20 -1.26 -0.07 114.94 124.98 2k0f s ASN 133 Ca 0.04 -0.02 -0.15 0.00 -0.94 0.00 0.00 52.86 51.79 2k0f s ASN 133 Cb -0.25 -0.00 0.03 0.00 -2.00 0.00 0.00 41.25 39.03 2k0f s ASN 133 CO 0.02 -2.69 1.75 0.10 -2.94 0.00 0.00 177.10 173.34 2k0f h TYR 134 N -1.48 0.67 -0.69 1.54 -0.00 -1.94 -2.09 116.97 112.97 2k0f h TYR 134 Ca -0.42 -0.02 -0.05 0.00 0.00 0.00 0.00 58.73 58.24 2k0f h TYR 134 Cb 1.22 -0.21 -0.03 0.00 0.00 0.00 0.00 36.73 37.71 2k0f h TYR 134 CO -1.19 0.52 0.22 0.93 -0.00 0.00 0.00 178.16 178.63 2k0f h GLU 135 N 0.63 1.08 -0.52 0.10 5.08 -1.95 -2.60 114.58 116.40 2k0f h GLU 135 Ca 0.17 -0.23 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 135 Cb 0.08 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.07 2k0f h GLU 135 CO -0.02 0.93 -0.39 0.93 -1.00 0.00 0.00 179.01 179.45 2k0f h GLU 136 N 1.01 -0.23 -0.79 2.33 5.08 -1.92 -2.91 114.58 117.15 2k0f h GLU 136 Ca 0.22 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2k0f h GLU 136 Cb 0.30 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2k0f h GLU 136 CO -0.01 -0.15 0.48 0.35 -1.00 0.00 0.00 179.01 178.68 2k0f h PHE 137 N -0.24 1.04 -0.22 4.33 3.57 -1.24 0.31 116.94 124.49 2k0f h PHE 137 Ca 0.18 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 2k0f h PHE 137 Cb 0.56 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 2k0f h PHE 137 CO -0.64 0.69 -0.15 0.28 -2.23 0.00 0.00 178.31 176.26 2k0f h VAL 138 N 1.09 1.31 -0.75 1.41 2.07 -1.38 0.20 116.25 120.22 2k0f h VAL 138 Ca 0.29 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 2k0f h VAL 138 Cb -0.04 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2k0f h VAL 138 CO -0.05 0.39 0.45 -0.61 0.02 0.00 0.00 177.57 177.76 2k0f h GLN 139 N 0.19 1.01 -0.36 1.57 4.15 -1.29 0.24 115.11 120.61 2k0f h GLN 139 Ca 0.04 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 2k0f h GLN 139 Cb 0.67 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2k0f h GLN 139 CO 0.04 0.71 -0.03 1.98 -1.93 0.00 0.00 178.83 179.60 2k0f h MET 140 N 1.02 0.65 -0.21 1.69 4.05 -0.30 -3.21 114.93 118.62 2k0f h MET 140 Ca 0.27 -0.22 -0.11 0.00 -0.28 0.00 0.00 59.70 59.35 2k0f h MET 140 Cb -0.04 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 2k0f h MET 140 CO -0.05 0.78 -0.35 0.52 0.23 0.00 0.00 176.91 178.04 2k0f h MET 141 N 0.46 0.45 0.00 0.39 2.86 0.17 -3.50 114.93 115.75 2k0f h MET 141 Ca 0.10 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2k0f h MET 141 Cb 0.50 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2k0f h MET 141 CO 0.02 0.74 0.00 0.25 1.06 0.00 0.00 176.91 178.98