#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f n GLU 2 N 0.00 0.00 -3.49 -2.82 1.02 -1.26 -5.12 120.64 108.97 2k0f n GLU 2 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2k0f n GLU 2 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 2k0f n GLU 2 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k0f s GLU 3 N 0.00 1.10 -0.02 3.49 -1.05 -1.26 -5.11 118.70 115.85 2k0f s GLU 3 Ca 0.00 -0.03 -0.16 0.00 -0.15 0.00 0.00 54.97 54.63 2k0f s GLU 3 Cb 0.00 0.51 -0.33 0.00 -0.44 0.00 0.00 34.13 33.88 2k0f s GLU 3 CO 0.00 -0.40 0.86 1.96 0.95 0.00 0.00 175.26 178.62 2k0f h GLN 4 N 2.58 0.43 -0.68 -4.83 4.20 -2.00 -3.19 115.11 111.62 2k0f h GLN 4 Ca -0.29 -0.73 0.14 0.00 0.06 0.00 0.00 58.65 57.83 2k0f h GLN 4 Cb 1.21 0.27 -0.11 0.00 0.30 0.00 0.00 27.48 29.15 2k0f h GLN 4 CO 0.38 1.35 0.08 0.82 -0.67 0.00 0.00 178.83 180.79 2k0f h ILE 5 N -0.03 0.49 -0.33 2.54 1.08 -1.99 -0.16 117.51 119.10 2k0f h ILE 5 Ca -0.26 -0.06 -0.10 0.00 -0.39 0.00 0.00 64.86 64.06 2k0f h ILE 5 Cb 2.00 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 36.03 2k0f h ILE 5 CO 0.21 0.03 -0.16 0.00 -0.69 0.00 0.00 178.15 177.53 2k0f h ALA 6 N 1.59 0.47 -0.07 1.87 0.00 -1.99 0.01 119.26 121.15 2k0f h ALA 6 Ca 0.37 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 6 Cb 0.62 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k0f h ALA 6 CO -0.53 0.39 0.04 0.93 0.00 0.00 0.00 179.25 180.08 2k0f h GLU 7 N 0.47 0.10 -0.38 0.00 5.08 -1.36 -1.31 114.58 117.18 2k0f h GLU 7 Ca 0.07 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 7 Cb 0.70 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2k0f h GLU 7 CO 0.05 0.12 -0.27 0.74 -1.00 0.00 0.00 179.01 178.65 2k0f h PHE 8 N 0.04 0.91 -0.48 4.33 0.04 -0.93 -1.80 116.94 119.06 2k0f h PHE 8 Ca 0.02 -0.23 -0.13 0.00 2.80 0.00 0.00 57.97 60.44 2k0f h PHE 8 Cb 0.05 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 2k0f h PHE 8 CO -0.05 0.98 -0.21 -0.22 -0.60 0.00 0.00 178.31 178.21 2k0f h LYS 9 N 0.68 0.98 -1.00 1.51 3.64 -0.90 -1.55 116.57 119.93 2k0f h LYS 9 Ca 0.08 -0.42 0.02 0.00 -1.27 0.00 0.00 60.65 59.06 2k0f h LYS 9 Cb 0.81 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.54 2k0f h LYS 9 CO 0.07 1.09 0.66 0.93 -2.27 0.00 0.00 179.45 179.93 2k0f h GLU 10 N 0.84 1.30 -0.72 1.90 5.08 -1.23 0.71 114.58 122.47 2k0f h GLU 10 Ca 0.11 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 10 Cb 0.78 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 2k0f h GLU 10 CO 0.07 0.86 0.47 0.00 -1.00 0.00 0.00 179.01 179.41 2k0f h ALA 11 N 1.38 1.67 0.51 3.43 0.00 -0.82 0.15 119.26 125.58 2k0f h ALA 11 Ca 0.38 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 2k0f h ALA 11 Cb -0.12 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.47 2k0f h ALA 11 CO -0.09 0.24 -0.25 0.35 0.00 0.00 0.00 179.25 179.50 2k0f h PHE 12 N 0.79 -0.64 0.00 0.00 3.04 -0.56 -3.26 116.94 116.32 2k0f h PHE 12 Ca 0.30 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 2k0f h PHE 12 Cb 0.19 0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.91 2k0f h PHE 12 CO -0.00 -0.31 -0.02 0.77 -2.02 0.00 0.00 178.31 176.73 2k0f h SER 13 N -1.03 0.00 -0.15 0.41 0.02 -0.77 -0.38 113.55 111.65 2k0f h SER 13 Ca -0.07 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2k0f h SER 13 Cb 0.61 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.09 2k0f h SER 13 CO 0.12 0.02 -0.46 0.25 -1.14 0.00 0.00 176.83 175.61 2k0f h LEU 14 N 0.00 -1.47 0.41 5.07 5.85 -0.74 -3.38 115.31 121.05 2k0f h LEU 14 Ca -0.00 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2k0f h LEU 14 Cb 0.20 0.58 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2k0f h LEU 14 CO 0.00 -0.40 -0.20 -0.26 -0.34 0.00 0.00 178.44 177.25 2k0f h PHE 15 N -0.46 -0.51 -1.93 1.25 0.04 -1.48 -3.43 116.94 110.41 2k0f h PHE 15 Ca 0.03 -0.01 -0.59 0.00 2.80 0.00 0.00 57.97 60.20 2k0f h PHE 15 Cb 0.56 0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.88 2k0f h PHE 15 CO -0.59 -0.31 1.43 -3.47 -0.60 0.00 0.00 178.31 174.78 2k0f n ASP 16 N -5.14 3.28 0.00 2.17 2.03 -0.22 -4.80 116.55 113.87 2k0f n ASP 16 Ca -0.07 0.36 0.11 0.00 0.52 0.00 0.00 54.79 55.71 2k0f n ASP 16 Cb 0.22 -1.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.08 2k0f n ASP 16 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k0f n LYS 17 N 8.42 0.05 -0.02 -0.67 3.00 -1.26 -4.14 118.16 123.54 2k0f n LYS 17 Ca 0.29 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.31 58.58 2k0f n LYS 17 Cb 0.41 -1.51 -0.01 0.00 0.00 0.00 0.00 35.03 33.93 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2k0f n ASP 18 N -1.56 0.62 0.00 3.14 8.00 -1.26 -5.04 116.55 120.44 2k0f n ASP 18 Ca 0.04 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2k0f n ASP 18 Cb 0.35 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.69 1.40 0.13 0.44 0.00 -1.26 -5.06 105.19 102.54 2k0f n GLY 19 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 1.94 0.00 1.61 5.75 -1.26 -5.00 116.55 119.59 2k0f n ASP 20 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 20 Cb 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 2.14 1.85 3.07 6.12 0.00 -1.26 -5.08 105.19 112.03 2k0f n GLY 21 Ca -0.40 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.97 0.77 -0.27 2.61 -4.23 -1.26 -1.82 115.64 109.48 2k0f s THR 22 Ca 0.00 -0.76 -0.09 0.00 -1.18 0.00 0.00 61.69 59.66 2k0f s THR 22 Cb 0.00 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 2k0f s THR 22 CO 0.00 -0.03 0.12 -0.63 -0.54 0.00 0.00 174.62 173.55 2k0f s ILE 23 N -0.72 4.73 0.58 2.99 1.01 -0.10 -4.73 121.20 124.96 2k0f s ILE 23 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2k0f s ILE 23 Cb -0.06 -3.25 0.11 0.00 0.01 0.00 0.00 42.46 39.27 2k0f s ILE 23 CO 0.00 0.28 0.79 0.35 0.00 0.00 0.00 174.94 176.37 2k0f n THR 24 N 4.98 0.00 0.18 2.92 -2.24 -1.26 -1.81 114.28 117.06 2k0f n THR 24 Ca -0.15 -1.33 0.03 0.00 -2.27 0.00 0.00 64.05 60.32 2k0f n THR 24 Cb 0.51 -0.92 0.35 0.00 -2.10 0.00 0.00 70.33 68.17 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N -0.47 1.22 0.00 4.28 1.35 -1.96 -1.91 112.91 115.41 2k0f h THR 25 Ca -0.26 -1.38 -0.09 0.00 -0.55 0.00 0.00 66.41 64.13 2k0f h THR 25 Cb 1.00 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 2k0f h THR 25 CO 0.29 0.39 -0.44 0.11 -0.25 0.00 0.00 175.52 175.62 2k0f h LYS 26 N 0.00 0.00 0.00 4.72 1.57 -1.98 -2.39 116.57 118.49 2k0f h LYS 26 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2k0f h LYS 26 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 2k0f h LYS 26 CO 0.05 0.44 -0.12 0.93 -0.57 0.00 0.00 179.45 180.17 2k0f h GLU 27 N 0.00 0.00 0.43 3.15 5.08 -1.70 -0.80 114.58 120.74 2k0f h GLU 27 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 27 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2k0f h GLU 27 CO 0.06 0.12 -0.20 -0.07 -1.00 0.00 0.00 179.01 177.92 2k0f h LEU 28 N 0.00 -0.48 -1.00 1.33 3.38 -1.43 -3.38 115.31 113.73 2k0f h LEU 28 Ca -0.00 0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.37 2k0f h LEU 28 Cb 0.84 0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.54 2k0f h LEU 28 CO 0.02 -0.06 0.45 1.23 0.09 0.00 0.00 178.44 180.17 2k0f h GLY 29 N -1.14 2.08 0.53 0.83 0.00 -1.32 -2.24 103.07 101.81 2k0f h GLY 29 Ca -0.06 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.20 2k0f h GLY 29 CO 0.10 -0.73 -0.19 -0.84 0.00 0.00 0.00 176.54 174.87 2k0f h THR 30 N 0.03 0.54 0.02 4.70 2.02 -1.32 -1.31 112.91 117.60 2k0f h THR 30 Ca 0.80 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.98 2k0f h THR 30 Cb 2.02 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2k0f h THR 30 CO -0.78 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 175.68 2k0f h VAL 31 N -0.31 1.19 -0.98 3.16 2.07 -1.64 -3.10 116.25 116.64 2k0f h VAL 31 Ca 0.06 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 67.03 2k0f h VAL 31 Cb 0.39 1.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 2k0f h VAL 31 CO -0.19 0.17 0.61 0.24 0.02 0.00 0.00 177.57 178.42 2k0f h MET 32 N -0.32 0.97 0.00 1.57 2.07 -1.36 -1.48 114.93 116.39 2k0f h MET 32 Ca -0.00 -0.06 -0.10 0.00 -2.07 0.00 0.00 59.70 57.46 2k0f h MET 32 Cb 0.30 -0.22 -0.01 0.00 -1.87 0.00 0.00 31.60 29.80 2k0f h MET 32 CO 0.01 0.64 -0.49 -0.09 1.07 0.00 0.00 176.91 178.04 2k0f h ARG 33 N 1.00 0.00 0.00 1.72 2.43 -1.28 0.15 114.38 118.40 2k0f h ARG 33 Ca 0.47 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.64 2k0f h ARG 33 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2k0f h ARG 33 CO -0.25 0.49 -0.00 0.77 -1.51 0.00 0.00 179.97 179.48 2k0f h SER 34 N 0.00 -0.00 0.09 -3.80 0.02 -1.37 -3.37 113.55 105.12 2k0f h SER 34 Ca -0.00 -0.80 0.01 0.00 -0.84 0.00 0.00 61.79 60.16 2k0f h SER 34 Cb 0.94 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2k0f h SER 34 CO 0.06 0.89 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.42 2k0f h LEU 35 N -0.99 -0.45 0.00 5.07 3.38 -1.25 -3.48 115.31 117.58 2k0f h LEU 35 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k0f h LEU 35 Cb 0.80 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2k0f h LEU 35 CO 0.00 -0.23 0.00 0.61 0.09 0.00 0.00 178.44 178.91 2k0f n GLY 36 N -1.29 4.07 3.94 0.83 0.00 0.04 -5.08 105.19 107.70 2k0f n GLY 36 Ca -0.06 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 2.93 2.79 -0.48 1.61 -0.21 -1.24 -4.65 119.66 120.41 2k0f s GLN 37 Ca 0.00 -0.35 -0.14 0.00 0.02 0.00 0.00 55.36 54.89 2k0f s GLN 37 Cb 0.00 -2.40 0.10 0.00 1.00 0.00 0.00 33.01 31.71 2k0f s GLN 37 CO 0.00 -0.63 0.40 1.21 -2.12 0.00 0.00 175.29 174.14 2k0f s ASN 38 N -4.33 6.00 0.44 5.90 2.47 -1.26 -3.56 114.94 120.60 2k0f s ASN 38 Ca 0.54 -1.60 -0.07 0.00 0.42 0.00 0.00 52.86 52.15 2k0f s ASN 38 Cb -0.10 -2.13 -0.05 0.00 -1.45 0.00 0.00 41.25 37.52 2k0f s ASN 38 CO 0.41 -0.70 0.76 -2.16 -3.72 0.00 0.00 177.10 171.69 2k0f s PRO 39 N 1.54 3.63 0.66 0.43 0.04 -1.26 -5.02 135.00 135.02 2k0f s PRO 39 Ca 0.04 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.17 2k0f s PRO 39 Cb -0.26 -2.41 -0.00 0.00 0.04 0.00 0.00 34.50 31.87 2k0f s PRO 39 CO 0.03 -0.11 1.24 0.95 0.04 0.00 0.00 177.00 179.16 2k0f s THR 40 N -2.56 2.31 0.26 1.26 -4.23 -1.26 -4.91 115.64 106.52 2k0f s THR 40 Ca 0.48 0.18 0.19 0.00 -1.18 0.00 0.00 61.69 61.36 2k0f s THR 40 Cb -0.10 -2.96 0.16 0.00 1.34 0.00 0.00 72.50 70.94 2k0f s THR 40 CO 0.39 -0.06 1.82 -0.08 -0.54 0.00 0.00 174.62 176.16 2k0f h GLU 41 N 0.36 0.00 0.50 3.99 4.81 -1.98 -2.64 114.58 119.62 2k0f h GLU 41 Ca -0.50 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2k0f h GLU 41 Cb 1.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 2k0f h GLU 41 CO 0.53 0.32 -0.49 0.00 -0.73 0.00 0.00 179.01 178.64 2k0f h ALA 42 N 1.68 -1.11 0.00 2.92 0.00 -1.98 0.14 119.26 120.91 2k0f h ALA 42 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2k0f h ALA 42 Cb 0.73 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2k0f h ALA 42 CO 0.04 -1.16 -0.22 0.93 0.00 0.00 0.00 179.25 178.84 2k0f h GLU 43 N -0.99 0.00 0.08 0.00 5.08 -1.91 -2.60 114.58 114.24 2k0f h GLU 43 Ca -0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2k0f h GLU 43 Cb 0.86 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.13 2k0f h GLU 43 CO -0.06 0.22 -0.67 1.25 -1.00 0.00 0.00 179.01 178.76 2k0f h LEU 44 N 0.00 0.45 -1.18 1.33 5.85 -1.07 -2.30 115.31 118.39 2k0f h LEU 44 Ca -0.00 -0.88 -0.06 0.00 0.84 0.00 0.00 57.88 57.79 2k0f h LEU 44 Cb 0.68 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2k0f h LEU 44 CO 0.03 1.29 -0.27 0.06 -0.34 0.00 0.00 178.44 179.21 2k0f h GLN 45 N -0.31 0.00 0.03 1.25 3.07 -0.71 -2.86 115.11 115.58 2k0f h GLN 45 Ca -0.10 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.57 2k0f h GLN 45 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.02 2k0f h GLN 45 CO 0.13 0.27 -0.34 0.22 0.09 0.00 0.00 178.83 179.20 2k0f h ASP 46 N 0.00 0.11 -0.82 0.06 3.58 -1.47 -1.89 116.42 116.00 2k0f h ASP 46 Ca -0.00 -0.94 0.04 0.00 0.42 0.00 0.00 57.03 56.54 2k0f h ASP 46 Cb 0.73 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.69 2k0f h ASP 46 CO 0.03 1.15 0.52 -0.03 -2.88 0.00 0.00 179.24 178.04 2k0f h MET 47 N -0.84 0.98 -0.85 0.28 4.05 -1.50 -3.10 114.93 113.94 2k0f h MET 47 Ca -0.07 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.33 2k0f h MET 47 Cb 1.19 -0.22 -0.05 0.00 -0.80 0.00 0.00 31.60 31.72 2k0f h MET 47 CO 0.02 0.65 0.54 0.82 0.23 0.00 0.00 176.91 179.17 2k0f h ILE 48 N 1.01 1.10 -0.35 1.77 1.08 -1.48 -2.98 117.51 117.66 2k0f h ILE 48 Ca 0.33 -0.35 0.08 0.00 -0.39 0.00 0.00 64.86 64.53 2k0f h ILE 48 Cb 0.03 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.75 2k0f h ILE 48 CO -0.12 0.19 0.25 -1.13 -0.69 0.00 0.00 178.15 176.64 2k0f h ASN 49 N 1.03 0.08 0.10 1.72 -1.24 -1.26 -0.11 115.58 115.90 2k0f h ASN 49 Ca 0.35 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.36 2k0f h ASN 49 Cb 0.06 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.10 2k0f h ASN 49 CO -0.13 0.05 -0.05 -0.08 -1.29 0.00 0.00 177.43 175.93 2k0f h GLU 50 N 0.09 -0.13 -0.24 6.67 4.81 -1.52 -3.37 114.58 120.89 2k0f h GLU 50 Ca 0.16 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2k0f h GLU 50 Cb 0.54 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2k0f h GLU 50 CO -0.02 0.36 -0.24 -0.39 -0.73 0.00 0.00 179.01 177.99 2k0f h VAL 51 N -0.72 1.26 -2.03 0.32 -1.51 -1.27 -3.43 116.25 108.87 2k0f h VAL 51 Ca -0.01 -1.23 -0.52 0.00 -1.23 0.00 0.00 66.70 63.70 2k0f h VAL 51 Cb 0.55 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 2k0f h VAL 51 CO 0.02 0.39 1.46 -0.62 -1.23 0.00 0.00 177.57 177.59 2k0f s ASP 52 N -6.81 5.18 -0.14 4.19 2.15 -0.15 -4.88 116.67 116.22 2k0f s ASP 52 Ca -0.07 1.14 -0.14 0.00 0.43 0.00 0.00 52.55 53.91 2k0f s ASP 52 Cb 0.14 -2.52 -0.25 0.00 -0.30 0.00 0.00 42.92 40.00 2k0f s ASP 52 CO 0.78 -2.30 0.39 0.00 -0.17 0.00 0.00 175.17 173.88 2k0f h ALA 53 N 16.01 0.30 -2.71 3.66 0.00 -1.90 -3.44 119.26 131.17 2k0f h ALA 53 Ca -0.30 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.37 2k0f h ALA 53 Cb 1.21 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2k0f h ALA 53 CO 1.10 0.98 0.00 -0.40 0.00 0.00 0.00 179.25 180.92 2k0f n ASP 54 N -3.90 0.00 0.00 0.00 5.68 -1.26 -4.99 116.55 112.07 2k0f n ASP 54 Ca -0.30 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 2k0f n ASP 54 Cb 0.89 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N 1.04 -0.47 0.00 6.12 0.00 -1.26 -5.08 105.19 105.54 2k0f n GLY 55 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 3.35 0.00 1.61 0.23 -1.26 -5.02 115.26 114.16 2k0f n ASN 56 Ca 0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 54.58 53.93 2k0f n ASN 56 Cb 0.00 0.92 0.00 0.00 -2.08 0.00 0.00 39.78 38.62 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.92 0.74 3.32 4.83 0.00 -1.26 -5.04 105.19 109.71 2k0f n GLY 57 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.27 1.74 -0.04 2.61 -4.23 -1.26 -4.63 115.64 107.56 2k0f s THR 58 Ca 0.00 -1.96 -0.22 0.00 -1.18 0.00 0.00 61.69 58.33 2k0f s THR 58 Cb 0.00 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 2k0f s THR 58 CO 0.00 -0.39 0.66 -0.63 -0.54 0.00 0.00 174.62 173.72 2k0f s ILE 59 N -2.26 4.99 0.38 2.99 1.01 -0.75 -4.80 121.20 122.76 2k0f s ILE 59 Ca 0.16 1.37 0.08 0.00 0.00 0.00 0.00 60.65 62.26 2k0f s ILE 59 Cb -0.05 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 2k0f s ILE 59 CO 0.06 0.31 0.30 -1.81 0.00 0.00 0.00 174.94 173.80 2k0f s ASP 60 N 0.45 5.03 0.10 3.58 1.11 -1.26 -0.92 116.67 124.75 2k0f s ASP 60 Ca 0.35 -0.68 -0.31 0.00 0.18 0.00 0.00 52.55 52.08 2k0f s ASP 60 Cb -0.18 -0.73 -0.13 0.00 1.07 0.00 0.00 42.92 42.95 2k0f s ASP 60 CO 0.18 -0.48 1.61 0.15 1.18 0.00 0.00 175.17 177.80 2k0f h PHE 61 N 1.21 -0.99 0.00 4.23 3.57 -1.77 -0.20 116.94 123.00 2k0f h PHE 61 Ca -0.43 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2k0f h PHE 61 Cb 1.26 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.39 2k0f h PHE 61 CO 0.55 -0.50 0.00 -2.30 -2.23 0.00 0.00 178.31 173.82 2k0f n PRO 62 N -5.46 0.08 -0.04 6.41 -0.02 -1.26 -1.66 135.00 133.04 2k0f n PRO 62 Ca -0.09 0.07 -0.15 0.00 -2.02 0.00 0.00 63.50 61.31 2k0f n PRO 62 Cb 0.37 -1.59 -0.12 0.00 -0.02 0.00 0.00 33.50 32.13 2k0f n PRO 62 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2k0f h GLU 63 N 0.00 0.07 -0.64 -0.52 4.81 -1.93 -2.45 114.58 113.92 2k0f h GLU 63 Ca 0.00 -0.09 0.12 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 63 Cb 0.57 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.89 2k0f h GLU 63 CO 0.00 0.93 0.15 0.35 -0.73 0.00 0.00 179.01 179.71 2k0f h PHE 64 N -0.76 0.24 0.67 0.92 3.04 -0.92 -3.02 116.94 117.11 2k0f h PHE 64 Ca -0.02 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 2k0f h PHE 64 Cb 0.98 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.48 2k0f h PHE 64 CO 0.22 -0.04 -0.46 1.25 -2.02 0.00 0.00 178.31 177.27 2k0f h LEU 65 N 0.28 -1.17 -1.27 0.59 6.46 -1.36 -0.72 115.31 118.11 2k0f h LEU 65 Ca 0.34 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.18 2k0f h LEU 65 Cb 0.53 0.36 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 2k0f h LEU 65 CO -0.43 -0.68 0.00 0.00 -0.62 0.00 0.00 178.44 176.71 2k0f h THR 66 N -1.07 0.00 0.13 1.05 1.03 -1.40 -0.71 112.91 111.93 2k0f h THR 66 Ca -0.09 -0.40 -0.35 0.00 -0.01 0.00 0.00 66.41 65.56 2k0f h THR 66 Cb 0.88 1.31 -0.01 0.00 -1.07 0.00 0.00 68.15 69.26 2k0f h THR 66 CO 0.06 0.00 -1.90 0.00 -0.01 0.00 0.00 175.52 173.67 2k0f h MET 67 N 0.00 0.27 0.00 0.00 -0.00 -1.51 -3.11 114.93 110.59 2k0f h MET 67 Ca 0.00 -0.47 -0.06 0.00 -0.00 0.00 0.00 59.70 59.17 2k0f h MET 67 Cb 0.44 0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 32.21 2k0f h MET 67 CO 0.00 1.18 -0.27 1.98 -0.00 0.00 0.00 176.91 179.80 2k0f h MET 68 N 0.07 0.00 0.00 -0.10 -1.53 -0.31 -2.02 114.93 111.05 2k0f h MET 68 Ca -0.39 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 55.87 2k0f h MET 68 Cb 2.05 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.10 2k0f h MET 68 CO 0.11 0.27 0.00 0.00 0.14 0.00 0.00 176.91 177.43 2k0f n ALA 69 N -2.23 2.14 -2.23 0.39 0.00 -0.35 -4.87 120.51 113.35 2k0f n ALA 69 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 2k0f n ALA 69 Cb 0.47 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.99 4.57 -0.02 0.00 3.52 -0.76 -5.01 118.95 118.27 2k0f s ARG 70 Ca 0.12 1.65 0.01 0.00 -0.13 0.00 0.00 55.73 57.38 2k0f s ARG 70 Cb 0.16 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 2k0f s ARG 70 CO 0.45 0.02 0.01 0.15 -0.81 0.00 0.00 175.30 175.12 2k0f s LYS 71 N 0.12 2.86 0.90 5.12 1.02 -1.26 -5.00 119.74 123.50 2k0f s LYS 71 Ca 0.51 -0.56 -0.13 0.00 0.02 0.00 0.00 55.97 55.81 2k0f s LYS 71 Cb -0.28 -2.72 0.16 0.00 -0.52 0.00 0.00 37.83 34.48 2k0f s LYS 71 CO 0.32 0.64 1.25 -1.64 -0.92 0.00 0.00 175.35 175.00 2k0f s MET 72 N -1.45 1.06 0.71 1.68 -1.94 -1.26 -5.07 119.30 113.03 2k0f s MET 72 Ca 0.19 -0.38 -0.11 0.00 -1.71 0.00 0.00 55.69 53.67 2k0f s MET 72 Cb -0.12 -1.93 0.02 0.00 2.01 0.00 0.00 34.83 34.81 2k0f s MET 72 CO 0.09 -2.11 1.10 0.15 -0.01 0.00 0.00 175.02 174.24 2k0f s LYS 73 N -5.73 2.81 0.19 2.03 1.02 -1.26 -4.67 119.74 114.13 2k0f s LYS 73 Ca 0.70 0.46 -0.22 0.00 0.02 0.00 0.00 55.97 56.93 2k0f s LYS 73 Cb -0.06 -2.02 0.11 0.00 -0.52 0.00 0.00 37.83 35.35 2k0f s LYS 73 CO 0.51 -1.07 1.56 -0.44 -0.92 0.00 0.00 175.35 174.99 2k0f h ASP 74 N -0.68 -1.49 -0.33 2.83 5.19 -1.98 -0.33 116.42 119.64 2k0f h ASP 74 Ca -0.45 0.28 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 2k0f h ASP 74 Cb 1.26 0.72 -0.01 0.00 0.18 0.00 0.00 39.33 41.47 2k0f h ASP 74 CO 0.64 -0.30 0.08 0.74 -3.12 0.00 0.00 179.24 177.28 2k0f h THR 75 N -0.11 1.22 -0.17 0.35 2.02 -2.00 -3.04 112.91 111.18 2k0f h THR 75 Ca 0.25 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.60 2k0f h THR 75 Cb 0.56 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2k0f h THR 75 CO -0.82 0.25 -0.30 0.44 0.37 0.00 0.00 175.52 175.45 2k0f h ASP 76 N 0.37 0.34 1.14 4.18 3.32 -1.75 -1.47 116.42 122.54 2k0f h ASP 76 Ca 0.10 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2k0f h ASP 76 Cb 0.29 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2k0f h ASP 76 CO 0.00 0.63 0.00 -1.54 -1.72 0.00 0.00 179.24 176.61 2k0f n SER 77 N -4.10 0.66 0.04 6.45 3.41 -0.20 -2.93 113.62 116.95 2k0f n SER 77 Ca -0.01 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.23 2k0f n SER 77 Cb 0.42 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.53 2k0f n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k0f n GLU 78 N -2.15 0.62 0.10 4.33 -0.58 -0.63 -4.04 120.64 118.29 2k0f n GLU 78 Ca 0.04 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2k0f n GLU 78 Cb 0.34 -1.77 0.31 0.00 -0.57 0.00 0.00 31.44 29.76 2k0f n GLU 78 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2k0f h GLU 79 N 0.00 0.26 -0.97 3.49 4.39 -1.26 -3.09 114.58 117.40 2k0f h GLU 79 Ca -0.13 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.56 2k0f h GLU 79 Cb 1.42 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.97 2k0f h GLU 79 CO 0.03 0.49 0.62 0.93 -1.16 0.00 0.00 179.01 179.92 2k0f h GLU 80 N 0.24 1.06 -0.13 2.33 5.08 -1.67 -1.68 114.58 119.80 2k0f h GLU 80 Ca 0.04 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 80 Cb 0.55 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 80 CO 0.04 0.70 -0.09 0.82 -1.00 0.00 0.00 179.01 179.48 2k0f h ILE 81 N 1.09 1.14 0.05 3.13 1.08 -1.72 -1.23 117.51 121.05 2k0f h ILE 81 Ca 0.43 -0.62 -0.24 0.00 -0.39 0.00 0.00 64.86 64.05 2k0f h ILE 81 Cb 0.24 1.15 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2k0f h ILE 81 CO -0.19 0.19 -1.04 0.03 -0.69 0.00 0.00 178.15 176.45 2k0f h ARG 82 N 0.20 0.30 0.00 2.37 3.08 -1.55 -2.97 114.38 115.80 2k0f h ARG 82 Ca 0.04 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2k0f h ARG 82 Cb 0.29 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2k0f h ARG 82 CO 0.01 1.11 0.00 0.93 -1.07 0.00 0.00 179.97 180.96 2k0f h GLU 83 N 0.14 0.00 0.02 0.04 4.39 -0.41 -0.45 114.58 118.31 2k0f h GLU 83 Ca -0.09 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.41 2k0f h GLU 83 Cb 1.71 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.34 2k0f h GLU 83 CO 0.17 0.00 -0.95 0.00 -1.16 0.00 0.00 179.01 177.07 2k0f h ALA 84 N 2.22 0.44 0.10 3.43 0.00 -1.10 -3.28 119.26 121.07 2k0f h ALA 84 Ca 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 84 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k0f h ALA 84 CO 0.00 1.08 -0.05 0.35 0.00 0.00 0.00 179.25 180.64 2k0f h PHE 85 N 0.03 -0.12 -0.89 0.00 3.57 -1.44 -3.37 116.94 114.73 2k0f h PHE 85 Ca -0.03 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.66 2k0f h PHE 85 Cb 1.65 0.04 -0.11 0.00 2.79 0.00 0.00 35.95 40.32 2k0f h PHE 85 CO 0.01 -0.08 0.42 -0.09 -2.23 0.00 0.00 178.31 176.35 2k0f h ARG 86 N -0.70 0.48 0.03 1.11 2.43 -1.22 -2.17 114.38 114.35 2k0f h ARG 86 Ca -0.01 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 58.90 2k0f h ARG 86 Cb 0.10 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2k0f h ARG 86 CO 0.02 0.32 -0.99 0.28 -1.51 0.00 0.00 179.97 178.09 2k0f h VAL 87 N 0.50 1.43 -0.18 0.20 2.07 -1.79 -3.39 116.25 115.08 2k0f h VAL 87 Ca 0.53 -2.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.37 2k0f h VAL 87 Cb 0.92 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2k0f h VAL 87 CO -0.46 0.77 -0.21 0.15 0.02 0.00 0.00 177.57 177.83 2k0f h PHE 88 N 0.18 0.56 -3.13 1.57 3.04 -1.54 -3.41 116.94 114.22 2k0f h PHE 88 Ca -0.09 -0.18 -0.55 0.00 3.98 0.00 0.00 57.97 61.14 2k0f h PHE 88 Cb 1.64 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 40.01 2k0f h PHE 88 CO 0.06 0.85 0.67 0.34 -2.02 0.00 0.00 178.31 178.20 2k0f s ASP 89 N -6.29 7.10 0.20 0.41 2.15 -1.23 -4.91 116.67 114.10 2k0f s ASP 89 Ca -0.14 1.76 -0.00 0.00 0.43 0.00 0.00 52.55 54.60 2k0f s ASP 89 Cb 0.06 -2.56 0.13 0.00 -0.30 0.00 0.00 42.92 40.25 2k0f s ASP 89 CO 0.78 -0.55 1.49 0.50 -0.17 0.00 0.00 175.17 177.22 2k0f h LYS 90 N 7.36 0.39 0.00 4.34 3.64 -1.91 -3.34 116.57 127.05 2k0f h LYS 90 Ca -0.34 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 58.71 2k0f h LYS 90 Cb 1.16 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2k0f h LYS 90 CO 0.87 0.91 -0.44 0.38 -2.27 0.00 0.00 179.45 178.90 2k0f h ASP 91 N 0.28 0.00 -0.36 4.20 2.03 -1.95 -3.50 116.42 117.11 2k0f h ASP 91 Ca -0.01 -0.25 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2k0f h ASP 91 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2k0f h ASP 91 CO 0.11 0.87 0.00 0.61 -1.03 0.00 0.00 179.24 179.80 2k0f n GLY 92 N 1.63 0.83 0.14 7.15 0.00 -1.26 -5.02 105.19 108.66 2k0f n GLY 92 Ca -0.11 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.83 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.97 -3.47 115.58 110.68 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 2k0f h ASN 93 CO 0.00 0.19 0.00 0.61 0.07 0.00 0.00 177.43 178.30 2k0f n GLY 94 N 1.21 1.44 2.97 9.14 0.00 -1.26 -5.12 105.19 113.57 2k0f n GLY 94 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.56 -0.20 1.61 2.02 -1.26 -3.98 117.35 114.10 2k0f s TYR 95 Ca 0.00 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 2k0f s TYR 95 Cb 0.00 -0.37 -0.01 0.00 -0.40 0.00 0.00 41.96 41.18 2k0f s TYR 95 CO 0.00 -0.02 -0.06 0.42 -1.57 0.00 0.00 175.55 174.32 2k0f s ILE 96 N -0.08 3.37 0.64 2.71 1.01 0.02 -4.88 121.20 124.00 2k0f s ILE 96 Ca 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2k0f s ILE 96 Cb -0.03 -2.51 0.09 0.00 0.01 0.00 0.00 42.46 40.02 2k0f s ILE 96 CO -0.00 0.45 0.89 -0.94 0.00 0.00 0.00 174.94 175.33 2k0f s SER 97 N 1.19 4.77 0.22 3.58 1.04 -1.26 -1.31 113.70 121.92 2k0f s SER 97 Ca 0.02 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.19 2k0f s SER 97 Cb -0.14 -0.28 0.19 0.00 0.10 0.00 0.00 66.02 65.88 2k0f s SER 97 CO -0.01 -1.54 1.52 0.00 0.98 0.00 0.00 173.24 174.19 2k0f h ALA 98 N -0.22 0.78 -0.25 5.32 0.00 -1.98 0.38 119.26 123.29 2k0f h ALA 98 Ca -0.38 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 53.98 2k0f h ALA 98 Cb 1.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 98 CO 0.44 0.76 0.09 0.00 0.00 0.00 0.00 179.25 180.55 2k0f h ALA 99 N 1.14 0.28 0.00 0.00 0.00 -1.98 -0.54 119.26 118.16 2k0f h ALA 99 Ca -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 99 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 99 CO 0.10 -0.32 -0.20 0.93 0.00 0.00 0.00 179.25 179.77 2k0f h GLU 100 N 0.21 0.00 -0.23 0.00 5.08 -1.81 -0.55 114.58 117.29 2k0f h GLU 100 Ca 0.11 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 100 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2k0f h GLU 100 CO -0.11 0.20 -0.43 1.25 -1.00 0.00 0.00 179.01 178.92 2k0f h LEU 101 N 0.00 0.77 -0.76 1.33 5.85 -0.15 -0.94 115.31 121.40 2k0f h LEU 101 Ca -0.00 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 2k0f h LEU 101 Cb 1.00 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2k0f h LEU 101 CO 0.03 1.17 0.38 0.03 -0.34 0.00 0.00 178.44 179.70 2k0f h ARG 102 N 0.40 1.08 -0.44 1.25 3.08 -0.59 -2.74 114.38 116.42 2k0f h ARG 102 Ca 0.01 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 2k0f h ARG 102 Cb 1.03 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2k0f h ARG 102 CO 0.10 0.84 0.02 1.25 -1.07 0.00 0.00 179.97 181.10 2k0f h HIS 103 N 1.06 0.74 -0.03 3.04 2.76 -0.90 -1.71 115.15 120.11 2k0f h HIS 103 Ca 0.26 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2k0f h HIS 103 Cb 0.10 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.85 2k0f h HIS 103 CO 0.01 0.69 0.02 0.28 -1.30 0.00 0.00 177.93 177.62 2k0f h VAL 104 N 0.67 1.01 -0.50 5.26 2.07 -1.14 -2.60 116.25 121.02 2k0f h VAL 104 Ca 0.14 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 2k0f h VAL 104 Cb 0.38 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2k0f h VAL 104 CO 0.01 0.01 0.07 0.24 0.02 0.00 0.00 177.57 177.93 2k0f h MET 105 N 0.03 0.78 -0.41 1.57 2.07 -1.32 0.21 114.93 117.86 2k0f h MET 105 Ca 0.01 -0.17 -0.14 0.00 -2.07 0.00 0.00 59.70 57.33 2k0f h MET 105 Cb 0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 29.61 2k0f h MET 105 CO -0.00 0.74 -0.30 0.00 1.07 0.00 0.00 176.91 178.42 2k0f h THR 106 N 0.74 1.27 0.00 2.22 1.03 -1.26 0.26 112.91 117.17 2k0f h THR 106 Ca 0.16 -1.46 -0.12 0.00 -0.01 0.00 0.00 66.41 64.98 2k0f h THR 106 Cb 0.34 1.27 -0.02 0.00 -1.07 0.00 0.00 68.15 68.68 2k0f h THR 106 CO 0.01 0.49 -0.56 0.78 -0.01 0.00 0.00 175.52 176.22 2k0f h ASN 107 N 0.76 0.00 0.50 0.00 2.35 -1.38 -3.32 115.58 114.50 2k0f h ASN 107 Ca 0.08 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2k0f h ASN 107 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 2k0f h ASN 107 CO 0.08 0.56 -0.24 0.25 -1.65 0.00 0.00 177.43 176.43 2k0f h LEU 108 N 0.00 -0.57 0.00 1.61 5.85 -0.55 -3.36 115.31 118.29 2k0f h LEU 108 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2k0f h LEU 108 Cb 1.13 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2k0f h LEU 108 CO 0.07 -0.37 0.00 0.61 -0.34 0.00 0.00 178.44 178.41 2k0f n GLY 109 N -0.97 -0.36 3.86 3.75 0.00 0.09 -4.83 105.19 106.72 2k0f n GLY 109 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 3.71 -0.39 1.61 0.41 0.68 -4.97 118.70 119.75 2k0f s GLU 110 Ca 0.00 0.17 0.05 0.00 -0.41 0.00 0.00 54.97 54.78 2k0f s GLU 110 Cb 0.00 -3.19 0.47 0.00 -1.78 0.00 0.00 34.13 29.63 2k0f s GLU 110 CO 0.00 0.71 1.47 1.63 -0.49 0.00 0.00 175.26 178.58 2k0f n LYS 111 N 1.77 3.02 -2.77 1.61 4.76 -1.26 -4.14 118.16 121.16 2k0f n LYS 111 Ca -0.16 -3.75 -0.36 0.00 -2.87 0.00 0.00 58.31 51.17 2k0f n LYS 111 Cb 0.53 -2.19 -0.06 0.00 -1.84 0.00 0.00 35.03 31.47 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2k0f s LEU 112 N -3.60 4.24 0.49 -0.35 2.34 -1.26 -5.05 118.68 115.49 2k0f s LEU 112 Ca 0.53 1.82 0.06 0.00 0.06 0.00 0.00 54.13 56.61 2k0f s LEU 112 Cb 0.44 -4.14 0.03 0.00 -0.56 0.00 0.00 46.19 41.95 2k0f s LEU 112 CO 0.02 -0.17 0.67 0.42 -1.06 0.00 0.00 176.35 176.23 2k0f s THR 113 N -1.74 2.75 -0.26 5.48 -4.23 -1.26 -4.95 115.64 111.42 2k0f s THR 113 Ca 0.53 -0.91 0.28 0.00 -1.18 0.00 0.00 61.69 60.41 2k0f s THR 113 Cb -0.17 -2.84 0.35 0.00 1.34 0.00 0.00 72.50 71.18 2k0f s THR 113 CO 0.22 0.00 1.79 0.44 -0.54 0.00 0.00 174.62 176.52 2k0f h ASP 114 N 0.38 0.00 -0.70 3.99 3.32 -2.00 0.79 116.42 122.21 2k0f h ASP 114 Ca -0.39 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.70 2k0f h ASP 114 Cb 1.28 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 2k0f h ASP 114 CO 0.46 0.00 0.46 -0.33 -1.72 0.00 0.00 179.24 178.11 2k0f h GLU 115 N 0.00 0.82 0.06 3.56 3.07 -2.00 -2.86 114.58 117.24 2k0f h GLU 115 Ca 0.00 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.69 2k0f h GLU 115 Cb 0.72 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2k0f h GLU 115 CO 0.00 0.54 -0.51 0.93 -1.40 0.00 0.00 179.01 178.57 2k0f h GLU 116 N 0.85 0.24 -0.04 2.33 5.08 -1.22 -3.28 114.58 118.54 2k0f h GLU 116 Ca 0.28 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 116 Cb 0.05 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k0f h GLU 116 CO -0.08 1.11 0.01 0.28 -1.00 0.00 0.00 179.01 179.33 2k0f h VAL 117 N -0.46 1.17 -0.60 3.13 2.07 -1.56 -2.37 116.25 117.64 2k0f h VAL 117 Ca -0.08 -0.51 0.12 0.00 0.82 0.00 0.00 66.70 67.05 2k0f h VAL 117 Cb 1.33 1.45 -0.11 0.00 -1.52 0.00 0.00 31.29 32.44 2k0f h VAL 117 CO 0.10 0.14 -0.13 -0.78 0.02 0.00 0.00 177.57 176.92 2k0f h ASP 118 N -0.14 -0.52 0.09 0.57 3.58 -1.65 0.16 116.42 118.52 2k0f h ASP 118 Ca 0.01 0.18 0.02 0.00 0.42 0.00 0.00 57.03 57.66 2k0f h ASP 118 Cb 0.22 0.36 -0.04 0.00 1.72 0.00 0.00 39.33 41.58 2k0f h ASP 118 CO -0.00 -0.19 -0.33 -0.08 -2.88 0.00 0.00 179.24 175.77 2k0f h GLU 119 N 0.02 -0.51 -0.05 0.28 4.81 -1.56 -2.29 114.58 115.28 2k0f h GLU 119 Ca 0.29 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.60 2k0f h GLU 119 Cb 0.45 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 2k0f h GLU 119 CO -0.60 -0.34 -0.31 0.52 -0.73 0.00 0.00 179.01 177.54 2k0f h MET 120 N -0.53 -0.42 -0.64 1.92 2.86 -0.83 -2.21 114.93 115.08 2k0f h MET 120 Ca 0.04 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.78 2k0f h MET 120 Cb 0.58 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.27 2k0f h MET 120 CO -0.21 -0.28 0.31 0.82 1.06 0.00 0.00 176.91 178.61 2k0f h ILE 121 N -0.43 0.87 -0.01 -1.22 1.08 -0.60 -2.66 117.51 114.54 2k0f h ILE 121 Ca 0.07 -0.19 -0.15 0.00 -0.39 0.00 0.00 64.86 64.21 2k0f h ILE 121 Cb 0.54 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 2k0f h ILE 121 CO -0.29 0.10 -0.69 0.03 -0.69 0.00 0.00 178.15 176.61 2k0f h ARG 122 N 0.55 0.04 0.08 2.37 3.08 -1.09 -2.71 114.38 116.70 2k0f h ARG 122 Ca 0.31 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 60.06 2k0f h ARG 122 Cb 0.29 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2k0f h ARG 122 CO -0.24 0.71 -1.30 1.05 -1.07 0.00 0.00 179.97 179.11 2k0f h GLU 123 N 0.02 0.17 -0.57 0.04 4.11 -1.37 -3.32 114.58 113.66 2k0f h GLU 123 Ca -0.01 -0.29 -0.10 0.00 0.07 0.00 0.00 59.36 59.03 2k0f h GLU 123 Cb 1.21 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 2k0f h GLU 123 CO 0.09 1.07 -0.05 0.00 0.07 0.00 0.00 179.01 180.19 2k0f h ALA 124 N 0.70 0.84 -2.73 1.06 0.00 -1.47 -3.45 119.26 114.22 2k0f h ALA 124 Ca -0.15 -0.33 -0.51 0.00 0.00 0.00 0.00 54.91 53.93 2k0f h ALA 124 Cb 1.93 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2k0f h ALA 124 CO 0.16 0.66 0.24 0.34 0.00 0.00 0.00 179.25 180.66 2k0f s ASP 125 N -6.62 7.48 -0.01 0.00 2.15 -1.03 -4.47 116.67 114.19 2k0f s ASP 125 Ca -0.11 1.76 -0.00 0.00 0.43 0.00 0.00 52.55 54.62 2k0f s ASP 125 Cb 0.14 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2k0f s ASP 125 CO 0.86 0.19 -0.01 -0.38 -0.17 0.00 0.00 175.17 175.65 2k0f n ILE 126 N 1.53 0.05 0.26 4.11 5.41 -1.26 -4.90 119.36 124.56 2k0f n ILE 126 Ca -0.04 -0.01 -0.17 0.00 1.00 0.00 0.00 62.75 63.52 2k0f n ILE 126 Cb 0.48 -1.13 -0.09 0.00 -0.71 0.00 0.00 39.64 38.19 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.02 -1.21 0.00 4.38 3.04 -1.96 -3.49 116.42 117.16 2k0f h ASP 127 Ca -0.02 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 2k0f h ASP 127 Cb 1.02 0.41 0.00 0.00 -1.04 0.00 0.00 39.33 39.72 2k0f h ASP 127 CO -0.01 -0.59 0.00 0.61 -2.04 0.00 0.00 179.24 177.21 2k0f n GLY 128 N -1.52 0.52 0.01 7.15 0.00 -1.26 -5.02 105.19 105.07 2k0f n GLY 128 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.33 0.00 1.61 5.68 -1.26 -4.90 116.55 118.01 2k0f n ASP 129 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 2k0f n ASP 129 Cb 0.00 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 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 1.48 0.59 3.64 6.12 0.00 -1.26 -4.99 105.19 110.78 2k0f n GLY 130 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.33 4.03 -0.05 1.61 -1.52 -1.26 -4.80 119.66 117.35 2k0f s GLN 131 Ca 0.00 -0.30 -0.28 0.00 -1.95 0.00 0.00 55.36 52.84 2k0f s GLN 131 Cb 0.00 -3.45 -0.03 0.00 -0.22 0.00 0.00 33.01 29.31 2k0f s GLN 131 CO 0.00 0.10 0.91 0.08 -0.25 0.00 0.00 175.29 176.13 2k0f s VAL 132 N 0.91 4.90 0.30 1.09 1.01 -0.43 -4.92 120.40 123.25 2k0f s VAL 132 Ca 0.07 1.88 0.03 0.00 0.00 0.00 0.00 61.98 63.96 2k0f s VAL 132 Cb -0.13 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.04 2k0f s VAL 132 CO 0.03 0.14 0.28 -0.46 0.00 0.00 0.00 175.10 175.09 2k0f n ASN 133 N 4.20 1.69 0.26 3.32 0.23 -1.26 -0.80 115.26 122.90 2k0f n ASN 133 Ca 0.05 -1.95 -0.12 0.00 -0.53 0.00 0.00 54.58 52.03 2k0f n ASN 133 Cb 0.50 -0.08 -0.06 0.00 -2.08 0.00 0.00 39.78 38.06 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N 0.43 -0.78 -0.39 -2.53 5.03 -1.97 -2.55 116.97 114.21 2k0f h TYR 134 Ca -0.17 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.21 2k0f h TYR 134 Cb 0.67 0.28 -0.09 0.00 1.55 0.00 0.00 36.73 39.14 2k0f h TYR 134 CO 0.00 -0.44 -0.20 0.93 -1.32 0.00 0.00 178.16 177.13 2k0f h GLU 135 N -0.72 -0.13 0.13 1.82 5.08 -1.97 0.14 114.58 118.93 2k0f h GLU 135 Ca -0.06 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 135 Cb 0.58 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 135 CO 0.07 -0.09 -0.39 0.93 -1.00 0.00 0.00 179.01 178.53 2k0f h GLU 136 N -0.14 -0.61 -0.92 2.33 5.08 -1.86 -2.03 114.58 116.44 2k0f h GLU 136 Ca 0.19 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.73 2k0f h GLU 136 Cb 0.43 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 2k0f h GLU 136 CO -0.47 -0.41 0.59 0.35 -1.00 0.00 0.00 179.01 178.07 2k0f h PHE 137 N -0.63 0.91 -0.81 4.33 3.57 -1.03 -2.65 116.94 120.63 2k0f h PHE 137 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2k0f h PHE 137 Cb 0.65 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2k0f h PHE 137 CO -0.34 0.34 0.35 0.28 -2.23 0.00 0.00 178.31 176.72 2k0f h VAL 138 N 0.77 1.26 0.00 1.41 2.07 -0.58 -2.51 116.25 118.67 2k0f h VAL 138 Ca 0.46 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2k0f h VAL 138 Cb 0.66 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2k0f h VAL 138 CO -0.22 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.69 2k0f n GLN 139 N -4.29 0.14 -0.03 1.57 6.02 -0.78 -2.46 117.38 117.56 2k0f n GLN 139 Ca 0.08 0.25 -0.18 0.00 -0.01 0.00 0.00 57.00 57.14 2k0f n GLN 139 Cb 0.16 -1.71 -0.13 0.00 1.02 0.00 0.00 30.24 29.58 2k0f n GLN 139 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 2k0f h MET 140 N 0.00 0.13 -0.23 -1.09 4.05 -1.33 -3.35 114.93 113.11 2k0f h MET 140 Ca 0.00 -0.22 0.06 0.00 -0.28 0.00 0.00 59.70 59.26 2k0f h MET 140 Cb 0.48 0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 31.29 2k0f h MET 140 CO 0.00 1.10 -0.21 0.52 0.23 0.00 0.00 176.91 178.56 2k0f h MET 141 N -0.71 -0.20 -0.01 0.39 2.86 -1.36 -3.52 114.93 112.39 2k0f h MET 141 Ca -0.13 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2k0f h MET 141 Cb 1.35 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.05 2k0f h MET 141 CO 0.03 -0.14 0.00 0.25 1.06 0.00 0.00 176.91 178.11