#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 0.00 -0.09 -0.78 4.39 -2.05 -1.32 114.58 114.73 2k0f h GLU 2 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2k0f h GLU 2 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2k0f h GLU 2 CO 0.00 0.49 -0.78 1.05 -1.16 0.00 0.00 179.01 178.61 2k0f h GLU 3 N 0.00 0.54 -0.09 2.33 9.09 -2.05 0.11 114.58 124.51 2k0f h GLU 3 Ca -0.00 -0.46 -0.13 0.00 0.05 0.00 0.00 59.36 58.81 2k0f h GLU 3 Cb 1.04 0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 28.23 2k0f h GLU 3 CO 0.06 1.09 -0.53 0.37 0.05 0.00 0.00 179.01 180.05 2k0f h GLN 4 N 0.36 0.26 -0.00 1.06 4.15 -1.89 -1.31 115.11 117.74 2k0f h GLN 4 Ca -0.05 -0.16 -0.15 0.00 0.77 0.00 0.00 58.65 59.06 2k0f h GLN 4 Cb 1.39 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.07 2k0f h GLN 4 CO 0.14 0.73 -0.71 0.82 -1.93 0.00 0.00 178.83 177.89 2k0f h ILE 5 N 0.21 1.50 -0.41 2.39 2.04 -1.03 -2.64 117.51 119.57 2k0f h ILE 5 Ca 0.00 -2.41 -0.09 0.00 1.00 0.00 0.00 64.86 63.36 2k0f h ILE 5 Cb 1.01 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 2k0f h ILE 5 CO 0.08 0.69 -0.12 0.00 0.00 0.00 0.00 178.15 178.80 2k0f h ALA 6 N 1.28 1.01 -0.26 1.87 0.00 -0.40 -2.00 119.26 120.76 2k0f h ALA 6 Ca -0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 6 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2k0f h ALA 6 CO 0.09 0.59 -0.05 1.49 0.00 0.00 0.00 179.25 181.37 2k0f h GLU 7 N 0.67 0.50 0.00 0.00 4.57 -1.14 -2.32 114.58 116.86 2k0f h GLU 7 Ca 0.11 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2k0f h GLU 7 Cb 0.59 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2k0f h GLU 7 CO 0.04 0.70 0.00 0.74 -1.18 0.00 0.00 179.01 179.31 2k0f h PHE 8 N 0.25 0.00 -0.49 0.92 0.04 -1.31 -2.26 116.94 114.09 2k0f h PHE 8 Ca 0.07 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 2k0f h PHE 8 Cb 0.51 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 2k0f h PHE 8 CO 0.05 0.00 0.06 -0.22 -0.60 0.00 0.00 178.31 177.60 2k0f h LYS 9 N 0.00 0.83 -0.51 1.51 3.64 -0.85 -1.54 116.57 119.65 2k0f h LYS 9 Ca 0.00 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 2k0f h LYS 9 Cb 0.36 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2k0f h LYS 9 CO 0.00 0.84 0.13 0.93 -2.27 0.00 0.00 179.45 179.07 2k0f h GLU 10 N 0.70 0.81 -0.19 1.90 4.39 -0.93 -2.30 114.58 118.96 2k0f h GLU 10 Ca 0.15 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2k0f h GLU 10 Cb 0.42 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2k0f h GLU 10 CO 0.01 0.78 0.10 0.00 -1.16 0.00 0.00 179.01 178.74 2k0f h ALA 11 N 1.00 1.81 -0.39 3.43 0.00 -1.33 -2.54 119.26 121.24 2k0f h ALA 11 Ca 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2k0f h ALA 11 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2k0f h ALA 11 CO 0.00 0.16 0.03 0.35 0.00 0.00 0.00 179.25 179.80 2k0f h PHE 12 N 0.26 0.63 0.00 0.00 3.04 -1.04 -3.05 116.94 116.78 2k0f h PHE 12 Ca 0.07 -0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 2k0f h PHE 12 Cb 0.02 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 2k0f h PHE 12 CO 0.00 0.58 -0.17 0.77 -2.02 0.00 0.00 178.31 177.47 2k0f h SER 13 N 0.58 0.00 -0.02 0.41 0.02 -0.97 -0.77 113.55 112.80 2k0f h SER 13 Ca 0.13 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2k0f h SER 13 Cb 0.32 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2k0f h SER 13 CO 0.01 0.17 -0.14 0.25 -1.14 0.00 0.00 176.83 175.98 2k0f h LEU 14 N 0.00 -0.42 0.06 5.07 5.85 -1.56 -3.35 115.31 120.96 2k0f h LEU 14 Ca -0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2k0f h LEU 14 Cb 0.47 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2k0f h LEU 14 CO 0.02 -0.20 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.64 2k0f h PHE 15 N -0.23 -0.08 -2.43 1.25 0.04 -1.66 -3.44 116.94 110.39 2k0f h PHE 15 Ca 0.06 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.27 2k0f h PHE 15 Cb 0.30 0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 2k0f h PHE 15 CO -0.21 0.28 1.32 0.34 -0.60 0.00 0.00 178.31 179.45 2k0f s ASP 16 N -5.67 5.67 -0.14 2.17 2.15 -0.32 -4.71 116.67 115.82 2k0f s ASP 16 Ca -0.08 1.15 -0.11 0.00 0.43 0.00 0.00 52.55 53.94 2k0f s ASP 16 Cb -0.01 -2.52 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 16 CO 0.29 -1.92 0.04 0.11 -0.17 0.00 0.00 175.17 173.52 2k0f h LYS 17 N 13.79 0.00 -6.28 4.34 1.79 -1.86 -3.44 116.57 124.91 2k0f h LYS 17 Ca -0.32 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.60 2k0f h LYS 17 Cb 1.18 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.79 2k0f h LYS 17 CO 1.07 0.29 0.39 0.16 -1.08 0.00 0.00 179.45 180.28 2k0f s ASP 18 N -5.94 7.25 -1.19 0.86 1.47 -1.26 -5.00 116.67 112.86 2k0f s ASP 18 Ca -0.14 1.52 -0.03 0.00 1.18 0.00 0.00 52.55 55.08 2k0f s ASP 18 Cb 0.02 -2.54 0.21 0.00 -0.34 0.00 0.00 42.92 40.27 2k0f s ASP 18 CO 0.28 -0.31 2.13 0.61 0.68 0.00 0.00 175.17 178.57 2k0f n GLY 19 N 3.03 5.64 0.10 2.12 0.00 -1.26 -4.34 105.19 110.48 2k0f n GLY 19 Ca 0.06 -2.29 -0.03 0.00 0.00 0.00 0.00 46.02 43.76 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 4.42 0.00 0.00 1.61 2.03 -1.97 -3.47 116.42 119.03 2k0f h ASP 20 Ca 0.63 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.93 2k0f h ASP 20 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 2k0f h ASP 20 CO 1.34 0.77 0.00 0.61 -1.03 0.00 0.00 179.24 180.93 2k0f n GLY 21 N 1.02 1.45 3.07 7.15 0.00 -1.26 -5.10 105.19 111.52 2k0f n GLY 21 Ca 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 0.75 -0.29 2.61 -4.23 -1.26 -4.24 115.64 106.98 2k0f s THR 22 Ca 0.00 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.60 2k0f s THR 22 Cb 0.00 -0.72 0.02 0.00 1.34 0.00 0.00 72.50 73.14 2k0f s THR 22 CO 0.00 -0.12 0.04 -0.63 -0.54 0.00 0.00 174.62 173.37 2k0f s ILE 23 N -0.89 3.54 0.79 2.99 1.01 -0.28 -4.90 121.20 123.45 2k0f s ILE 23 Ca -0.03 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 2k0f s ILE 23 Cb -0.07 -2.86 0.07 0.00 0.01 0.00 0.00 42.46 39.60 2k0f s ILE 23 CO 0.01 0.06 1.12 0.42 0.00 0.00 0.00 174.94 176.55 2k0f s THR 24 N 1.41 2.83 0.18 2.92 -4.23 -1.26 -1.71 115.64 115.78 2k0f s THR 24 Ca 0.00 0.31 -0.11 0.00 -1.18 0.00 0.00 61.69 60.71 2k0f s THR 24 Cb -0.18 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.07 2k0f s THR 24 CO 0.00 -0.32 1.72 0.71 -0.54 0.00 0.00 174.62 176.19 2k0f h THR 25 N -1.05 1.24 -0.90 3.99 1.35 -1.91 -1.64 112.91 113.99 2k0f h THR 25 Ca -0.44 -0.77 0.25 0.00 -0.55 0.00 0.00 66.41 64.90 2k0f h THR 25 Cb 1.25 0.59 -0.14 0.00 -1.73 0.00 0.00 68.15 68.12 2k0f h THR 25 CO 0.49 0.30 0.27 0.11 -0.25 0.00 0.00 175.52 176.44 2k0f h LYS 26 N 0.86 0.20 0.00 4.72 1.79 -1.97 0.11 116.57 122.28 2k0f h LYS 26 Ca 0.20 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.58 2k0f h LYS 26 Cb 0.24 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2k0f h LYS 26 CO -0.01 0.13 -0.36 0.93 -1.08 0.00 0.00 179.45 179.06 2k0f h GLU 27 N 0.21 0.00 0.00 3.15 5.08 -1.62 0.30 114.58 121.70 2k0f h GLU 27 Ca 0.58 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.89 2k0f h GLU 27 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2k0f h GLU 27 CO -0.66 0.36 -0.32 1.25 -1.00 0.00 0.00 179.01 178.64 2k0f h LEU 28 N 0.00 0.00 -0.64 1.33 5.85 -0.93 -3.32 115.31 117.60 2k0f h LEU 28 Ca -0.00 -0.70 0.08 0.00 0.84 0.00 0.00 57.88 58.10 2k0f h LEU 28 Cb 0.76 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 2k0f h LEU 28 CO 0.05 1.04 -0.31 0.61 -0.34 0.00 0.00 178.44 179.48 2k0f n GLY 29 N 1.59 -1.48 0.36 3.75 0.00 0.32 -2.13 105.19 107.60 2k0f n GLY 29 Ca -0.14 0.74 0.04 0.00 0.00 0.00 0.00 46.02 46.66 2k0f n GLY 29 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k0f h THR 30 N 0.00 1.07 -0.12 2.61 2.02 -1.04 -1.18 112.91 116.27 2k0f h THR 30 Ca 0.17 -0.34 -0.15 0.00 0.77 0.00 0.00 66.41 66.86 2k0f h THR 30 Cb 0.33 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2k0f h THR 30 CO -0.62 0.18 -0.51 0.58 0.37 0.00 0.00 175.52 175.52 2k0f h VAL 31 N 0.99 1.35 -0.07 3.16 2.07 -1.52 -2.71 116.25 119.53 2k0f h VAL 31 Ca 0.37 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 2k0f h VAL 31 Cb 0.19 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2k0f h VAL 31 CO -0.13 0.55 0.01 0.24 0.02 0.00 0.00 177.57 178.26 2k0f h MET 32 N 0.19 0.11 -0.01 1.57 2.86 -1.32 -2.23 114.93 116.10 2k0f h MET 32 Ca -0.03 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 2k0f h MET 32 Cb 1.15 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 2k0f h MET 32 CO 0.11 0.31 -0.54 0.07 1.06 0.00 0.00 176.91 177.92 2k0f h ARG 33 N -0.12 0.02 -0.88 1.72 -0.00 -1.28 -0.16 114.38 113.68 2k0f h ARG 33 Ca 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.98 2k0f h ARG 33 Cb 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.18 2k0f h ARG 33 CO 0.00 0.56 0.50 0.77 -0.00 0.00 0.00 179.97 181.80 2k0f h SER 34 N 0.02 1.08 0.34 0.08 0.02 -1.38 -3.19 113.55 110.52 2k0f h SER 34 Ca -0.00 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2k0f h SER 34 Cb 0.96 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2k0f h SER 34 CO 0.07 0.86 -0.16 0.25 -1.14 0.00 0.00 176.83 176.70 2k0f h LEU 35 N 1.22 -0.39 0.00 5.07 6.46 -1.22 -3.45 115.31 123.01 2k0f h LEU 35 Ca 0.31 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 2k0f h LEU 35 Cb -0.00 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 2k0f h LEU 35 CO -0.05 0.06 0.00 0.61 -0.62 0.00 0.00 178.44 178.44 2k0f n GLY 36 N 0.59 0.00 3.43 3.75 0.00 -0.22 -5.03 105.19 107.70 2k0f n GLY 36 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.56 -0.59 1.61 -1.52 -0.33 -4.98 119.66 115.40 2k0f s GLN 37 Ca 0.00 -1.73 0.05 0.00 -1.95 0.00 0.00 55.36 51.72 2k0f s GLN 37 Cb 0.00 -1.46 0.17 0.00 -0.22 0.00 0.00 33.01 31.50 2k0f s GLN 37 CO 0.00 0.22 0.44 0.09 -0.25 0.00 0.00 175.29 175.79 2k0f n ASN 38 N -0.56 1.70 -4.83 5.90 3.02 -1.26 -3.54 115.26 115.70 2k0f n ASN 38 Ca -0.06 -2.90 -0.30 0.00 -0.03 0.00 0.00 54.58 51.29 2k0f n ASN 38 Cb 0.61 -0.68 0.06 0.00 -0.61 0.00 0.00 39.78 39.16 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -0.92 2.64 0.30 3.52 0.04 -1.26 -5.08 135.00 134.24 2k0f s PRO 39 Ca 0.28 0.74 0.03 0.00 0.04 0.00 0.00 61.00 62.09 2k0f s PRO 39 Cb -0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2k0f s PRO 39 CO -0.18 -1.25 0.47 0.95 0.04 0.00 0.00 177.00 177.03 2k0f s THR 40 N -3.14 5.09 0.13 1.26 -4.23 -1.26 -5.04 115.64 108.44 2k0f s THR 40 Ca 0.59 -0.72 0.11 0.00 -1.18 0.00 0.00 61.69 60.49 2k0f s THR 40 Cb -0.13 -3.83 -0.06 0.00 1.34 0.00 0.00 72.50 69.82 2k0f s THR 40 CO 0.54 -0.43 1.47 -0.08 -0.54 0.00 0.00 174.62 175.58 2k0f h GLU 41 N 0.93 0.00 -0.99 3.99 4.81 -1.98 -1.92 114.58 119.42 2k0f h GLU 41 Ca -0.50 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 58.92 2k0f h GLU 41 Cb 1.23 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.42 2k0f h GLU 41 CO 0.61 0.72 -0.26 0.00 -0.73 0.00 0.00 179.01 179.34 2k0f n ALA 42 N -2.34 0.20 0.02 2.92 0.00 -1.26 -0.51 120.51 119.54 2k0f n ALA 42 Ca -0.00 1.08 -0.16 0.00 0.00 0.00 0.00 53.44 54.35 2k0f n ALA 42 Cb 0.75 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 2k0f n ALA 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k0f h GLU 43 N 0.00 0.64 -0.79 0.00 5.08 -1.91 -2.97 114.58 114.62 2k0f h GLU 43 Ca 0.46 -0.58 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 43 Cb 0.71 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2k0f h GLU 43 CO -1.01 1.20 0.30 -0.07 -1.00 0.00 0.00 179.01 178.42 2k0f h LEU 44 N 0.41 1.10 -0.09 1.33 3.38 -1.19 -0.61 115.31 119.63 2k0f h LEU 44 Ca -0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2k0f h LEU 44 Cb 1.49 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2k0f h LEU 44 CO 0.17 0.98 0.05 1.56 0.09 0.00 0.00 178.44 181.29 2k0f h GLN 45 N 1.15 0.13 -0.63 1.13 4.20 -0.85 -2.75 115.11 117.49 2k0f h GLN 45 Ca 0.26 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.99 2k0f h GLN 45 Cb 0.24 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 2k0f h GLN 45 CO -0.02 0.16 0.42 0.22 -0.67 0.00 0.00 178.83 178.94 2k0f h ASP 46 N 0.06 0.65 0.61 1.46 3.58 -1.34 -1.57 116.42 119.87 2k0f h ASP 46 Ca 0.03 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2k0f h ASP 46 Cb 0.07 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2k0f h ASP 46 CO -0.01 0.45 -0.45 -0.03 -2.88 0.00 0.00 179.24 176.32 2k0f h MET 47 N 0.75 -0.99 -0.65 0.28 4.05 -1.08 -2.86 114.93 114.44 2k0f h MET 47 Ca 0.25 0.07 0.13 0.00 -0.28 0.00 0.00 59.70 59.87 2k0f h MET 47 Cb 0.07 0.23 -0.10 0.00 -0.80 0.00 0.00 31.60 30.99 2k0f h MET 47 CO -0.07 -0.66 0.09 0.82 0.23 0.00 0.00 176.91 177.32 2k0f h ILE 48 N -1.03 0.54 0.00 1.77 2.04 -1.18 -3.03 117.51 116.61 2k0f h ILE 48 Ca -0.08 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2k0f h ILE 48 Cb 0.86 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2k0f h ILE 48 CO 0.03 0.04 -0.07 -1.13 0.00 0.00 0.00 178.15 177.02 2k0f h ASN 49 N 0.20 0.00 -0.94 1.72 -1.24 -1.24 -1.88 115.58 112.21 2k0f h ASN 49 Ca 0.35 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.43 2k0f h ASN 49 Cb 0.57 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.55 2k0f h ASN 49 CO -0.49 0.07 0.59 -0.08 -1.29 0.00 0.00 177.43 176.23 2k0f h GLU 50 N 0.00 1.02 -0.02 6.67 4.81 -1.38 -2.93 114.58 122.76 2k0f h GLU 50 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 50 Cb 0.12 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2k0f h GLU 50 CO 0.01 0.68 -0.03 1.33 -0.73 0.00 0.00 179.01 180.27 2k0f n VAL 51 N -4.58 0.00 -2.02 0.32 0.24 -0.98 -4.96 118.33 106.36 2k0f n VAL 51 Ca 0.15 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.34 61.53 2k0f n VAL 51 Cb 0.21 1.33 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 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 -1.44 6.08 -0.18 -1.34 2.15 -0.74 -4.84 116.67 116.36 2k0f s ASP 52 Ca 0.19 1.49 -0.01 0.00 0.43 0.00 0.00 52.55 54.65 2k0f s ASP 52 Cb 0.14 -2.53 -0.22 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 52 CO 0.23 -1.53 0.10 0.00 -0.17 0.00 0.00 175.17 173.80 2k0f n ALA 53 N 9.54 1.19 0.16 3.66 0.00 -1.26 -4.42 120.51 129.38 2k0f n ALA 53 Ca 0.21 -0.87 -0.07 0.00 0.00 0.00 0.00 53.44 52.71 2k0f n ALA 53 Cb 0.46 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N 0.03 -0.41 0.00 0.00 3.04 -1.97 -3.50 116.42 113.62 2k0f h ASP 54 Ca -0.49 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 2k0f h ASP 54 Cb 1.98 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 40.38 2k0f h ASP 54 CO 0.01 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.85 2k0f n GLY 55 N 0.56 1.83 0.10 7.15 0.00 -1.26 -5.04 105.19 108.53 2k0f n GLY 55 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 1.14 0.00 1.61 0.23 -1.26 -5.01 115.26 111.97 2k0f n ASN 56 Ca 0.00 0.29 0.00 0.00 -0.53 0.00 0.00 54.58 54.34 2k0f n ASN 56 Cb 0.00 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 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 1.72 1.24 3.06 4.83 0.00 -1.26 -5.09 105.19 109.69 2k0f n GLY 57 Ca -0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 0.23 -0.54 2.61 -4.23 -1.26 -4.78 115.64 105.67 2k0f s THR 58 Ca 0.00 -1.51 -0.28 0.00 -1.18 0.00 0.00 61.69 58.72 2k0f s THR 58 Cb 0.00 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.76 2k0f s THR 58 CO 0.00 -0.81 1.32 -0.63 -0.54 0.00 0.00 174.62 173.96 2k0f s ILE 59 N -3.03 3.91 1.24 2.99 1.01 -0.69 -4.81 121.20 121.82 2k0f s ILE 59 Ca -0.01 0.83 -0.21 0.00 0.00 0.00 0.00 60.65 61.26 2k0f s ILE 59 Cb 0.01 -4.52 0.31 0.00 0.01 0.00 0.00 42.46 38.27 2k0f s ILE 59 CO -0.06 -1.16 1.13 -1.81 0.00 0.00 0.00 174.94 173.03 2k0f s ASP 60 N 3.71 0.63 -0.05 3.58 1.11 -1.26 -1.12 116.67 123.26 2k0f s ASP 60 Ca 0.50 0.48 -0.20 0.00 0.18 0.00 0.00 52.55 53.51 2k0f s ASP 60 Cb -0.10 -0.61 -0.14 0.00 1.07 0.00 0.00 42.92 43.15 2k0f s ASP 60 CO 0.27 -4.29 0.82 0.15 1.18 0.00 0.00 175.17 173.30 2k0f h PHE 61 N -2.70 -0.26 0.00 4.23 3.57 -1.95 -1.34 116.94 118.49 2k0f h PHE 61 Ca -0.42 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 61 Cb 1.28 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.10 2k0f h PHE 61 CO -2.68 0.12 0.00 -2.30 -2.23 0.00 0.00 178.31 171.22 2k0f n PRO 62 N -4.97 0.00 0.03 6.41 -0.02 -1.26 -1.83 135.00 133.37 2k0f n PRO 62 Ca -0.07 0.31 -0.09 0.00 -2.02 0.00 0.00 63.50 61.63 2k0f n PRO 62 Cb 0.25 -1.51 -0.13 0.00 -0.02 0.00 0.00 33.50 32.09 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k0f h GLU 63 N 0.00 0.02 0.00 -0.52 5.08 -1.86 -2.45 114.58 114.85 2k0f h GLU 63 Ca 0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 63 Cb 0.20 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k0f h GLU 63 CO 0.00 0.80 -0.49 0.35 -1.00 0.00 0.00 179.01 178.67 2k0f h PHE 64 N 0.01 0.00 -0.66 4.33 3.04 -0.46 -0.47 116.94 122.72 2k0f h PHE 64 Ca -0.14 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.77 2k0f h PHE 64 Cb 1.89 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 40.37 2k0f h PHE 64 CO 0.01 0.49 0.28 -0.07 -2.02 0.00 0.00 178.31 177.00 2k0f h LEU 65 N 0.00 0.88 0.08 0.59 3.38 -1.50 -1.48 115.31 117.26 2k0f h LEU 65 Ca -0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k0f h LEU 65 Cb 1.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2k0f h LEU 65 CO 0.06 0.77 -0.04 0.74 0.09 0.00 0.00 178.44 180.07 2k0f h THR 66 N 0.95 1.06 0.71 0.22 2.02 -1.05 -3.18 112.91 113.65 2k0f h THR 66 Ca 0.23 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 2k0f h THR 66 Cb 0.16 1.39 0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2k0f h THR 66 CO -0.02 0.12 -0.34 -0.03 0.37 0.00 0.00 175.52 175.62 2k0f h MET 67 N -0.33 -0.92 -0.03 6.66 1.85 -1.15 -3.33 114.93 117.68 2k0f h MET 67 Ca -0.01 0.06 -0.19 0.00 -0.61 0.00 0.00 59.70 58.95 2k0f h MET 67 Cb 0.29 0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.52 2k0f h MET 67 CO 0.02 -0.61 -0.80 1.98 -0.40 0.00 0.00 176.91 177.10 2k0f h MET 68 N -1.09 0.27 -0.01 0.39 -1.53 -1.40 -3.20 114.93 108.36 2k0f h MET 68 Ca -0.10 -0.25 -0.16 0.00 -3.44 0.00 0.00 59.70 55.75 2k0f h MET 68 Cb 0.73 0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.83 2k0f h MET 68 CO 0.16 0.93 -0.72 0.00 0.14 0.00 0.00 176.91 177.42 2k0f h ALA 69 N 0.99 0.77 -2.20 0.39 0.00 -1.74 -3.47 119.26 114.00 2k0f h ALA 69 Ca -0.04 -0.64 -0.47 0.00 0.00 0.00 0.00 54.91 53.76 2k0f h ALA 69 Cb 1.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2k0f h ALA 69 CO 0.13 0.86 0.21 -0.98 0.00 0.00 0.00 179.25 179.47 2k0f s ARG 70 N -3.42 4.09 0.13 0.00 1.70 -1.21 -5.07 118.95 115.16 2k0f s ARG 70 Ca -0.02 0.86 0.06 0.00 -0.47 0.00 0.00 55.73 56.16 2k0f s ARG 70 Cb 0.12 -2.31 -0.04 0.00 -0.57 0.00 0.00 34.95 32.15 2k0f s ARG 70 CO 0.79 0.06 -0.15 -1.59 -1.08 0.00 0.00 175.30 173.33 2k0f s LYS 71 N -3.14 1.06 0.87 3.89 -2.85 -1.26 -5.00 119.74 113.31 2k0f s LYS 71 Ca 0.58 -1.26 -0.13 0.00 -1.00 0.00 0.00 55.97 54.15 2k0f s LYS 71 Cb -0.10 -0.96 0.12 0.00 -2.06 0.00 0.00 37.83 34.84 2k0f s LYS 71 CO 0.17 0.19 1.19 -1.64 0.10 0.00 0.00 175.35 175.35 2k0f s MET 72 N -2.69 1.42 1.00 1.78 -1.94 -1.26 -5.11 119.30 112.51 2k0f s MET 72 Ca 0.10 0.07 -0.14 0.00 -1.71 0.00 0.00 55.69 54.00 2k0f s MET 72 Cb -0.05 -1.89 0.19 0.00 2.01 0.00 0.00 34.83 35.09 2k0f s MET 72 CO 0.03 -1.96 1.15 -1.59 -0.01 0.00 0.00 175.02 172.64 2k0f s LYS 73 N -5.54 0.40 0.00 2.03 -2.85 -1.26 -4.57 119.74 107.95 2k0f s LYS 73 Ca 0.65 0.15 0.00 0.00 -1.00 0.00 0.00 55.97 55.76 2k0f s LYS 73 Cb -0.11 -1.77 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 2k0f s LYS 73 CO 0.51 -2.67 0.30 -0.25 0.10 0.00 0.00 175.35 173.34 2k0f n ASP 74 N -4.06 0.00 -0.29 0.03 9.92 -1.26 -1.52 116.55 119.36 2k0f n ASP 74 Ca 0.09 0.30 0.08 0.00 -0.53 0.00 0.00 54.79 54.73 2k0f n ASP 74 Cb 0.59 0.00 0.24 0.00 -0.64 0.00 0.00 41.12 41.31 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2k0f h THR 75 N 0.00 0.66 0.00 -3.53 1.35 -1.99 -1.70 112.91 107.70 2k0f h THR 75 Ca 0.00 -0.19 -0.13 0.00 -0.55 0.00 0.00 66.41 65.54 2k0f h THR 75 Cb 0.00 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 66.47 2k0f h THR 75 CO 0.00 0.10 -0.61 0.44 -0.25 0.00 0.00 175.52 175.20 2k0f h ASP 76 N 0.55 0.00 0.31 5.36 3.32 -1.87 -2.08 116.42 122.00 2k0f h ASP 76 Ca 0.48 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.27 2k0f h ASP 76 Cb 0.74 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.31 2k0f h ASP 76 CO -0.41 0.61 -1.09 -1.28 -1.72 0.00 0.00 179.24 175.36 2k0f h SER 77 N 0.00 0.64 0.15 6.45 0.87 -0.41 -1.70 113.55 119.56 2k0f h SER 77 Ca -0.01 -0.56 -0.13 0.00 -1.23 0.00 0.00 61.79 59.87 2k0f h SER 77 Cb 1.22 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2k0f h SER 77 CO 0.08 1.38 -0.45 -0.08 -0.53 0.00 0.00 176.83 177.23 2k0f h GLU 78 N 0.23 0.36 -0.16 2.24 4.81 -1.32 -3.31 114.58 117.43 2k0f h GLU 78 Ca -0.12 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 58.75 2k0f h GLU 78 Cb 1.75 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.14 2k0f h GLU 78 CO 0.19 0.75 -0.52 1.49 -0.73 0.00 0.00 179.01 180.19 2k0f h GLU 79 N 0.30 0.64 -0.86 1.92 4.57 -1.03 -2.49 114.58 117.63 2k0f h GLU 79 Ca 0.02 -0.47 0.34 0.00 -1.18 0.00 0.00 59.36 58.07 2k0f h GLU 79 Cb 0.92 0.08 -0.16 0.00 -0.16 0.00 0.00 28.75 29.43 2k0f h GLU 79 CO 0.08 1.09 0.40 -1.91 -1.18 0.00 0.00 179.01 177.49 2k0f n GLU 80 N -4.16 -0.05 0.00 1.92 2.13 -0.67 -0.24 120.64 119.56 2k0f n GLU 80 Ca -0.07 1.20 -0.07 0.00 0.66 0.00 0.00 57.16 58.89 2k0f n GLU 80 Cb 0.61 -2.13 -0.12 0.00 0.27 0.00 0.00 31.44 30.07 2k0f n GLU 80 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2k0f h ILE 81 N 0.00 0.91 -0.00 6.31 1.08 -1.56 -1.07 117.51 123.18 2k0f h ILE 81 Ca 0.70 -2.67 -0.17 0.00 -0.39 0.00 0.00 64.86 62.34 2k0f h ILE 81 Cb 1.82 2.41 -0.02 0.00 -3.07 0.00 0.00 36.82 37.96 2k0f h ILE 81 CO -0.68 0.52 -0.79 0.08 -0.69 0.00 0.00 178.15 176.58 2k0f h ARG 82 N 0.00 0.01 -0.45 2.37 0.11 -1.28 -1.94 114.38 113.21 2k0f h ARG 82 Ca -0.22 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 59.78 2k0f h ARG 82 Cb 1.89 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.95 2k0f h ARG 82 CO 0.08 0.80 0.01 0.93 0.10 0.00 0.00 179.97 181.89 2k0f h GLU 83 N 0.01 0.72 -0.72 0.08 4.39 -0.65 -1.28 114.58 117.14 2k0f h GLU 83 Ca -0.01 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.52 2k0f h GLU 83 Cb 1.40 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 2k0f h GLU 83 CO 0.10 0.73 0.47 0.00 -1.16 0.00 0.00 179.01 179.16 2k0f h ALA 84 N 1.33 0.91 -0.55 3.43 0.00 -0.75 -2.66 119.26 120.97 2k0f h ALA 84 Ca 0.14 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.11 2k0f h ALA 84 Cb 0.41 -0.28 -0.11 0.00 0.00 0.00 0.00 17.79 17.81 2k0f h ALA 84 CO 0.02 0.31 -0.18 0.35 0.00 0.00 0.00 179.25 179.74 2k0f h PHE 85 N 0.95 -0.44 -0.02 0.00 3.04 -0.99 -0.09 116.94 119.40 2k0f h PHE 85 Ca 0.27 0.05 -0.05 0.00 3.98 0.00 0.00 57.97 62.22 2k0f h PHE 85 Cb -0.09 0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 2k0f h PHE 85 CO -0.03 -0.28 -0.23 -0.09 -2.02 0.00 0.00 178.31 175.66 2k0f h ARG 86 N -0.05 0.03 -0.01 1.11 2.43 -1.02 0.40 114.38 117.27 2k0f h ARG 86 Ca 0.26 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2k0f h ARG 86 Cb 0.45 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2k0f h ARG 86 CO -0.59 0.26 -0.07 0.28 -1.51 0.00 0.00 179.97 178.34 2k0f h VAL 87 N 0.02 1.56 -0.02 0.20 2.07 -1.10 -3.40 116.25 115.57 2k0f h VAL 87 Ca 0.00 -1.74 -0.05 0.00 0.82 0.00 0.00 66.70 65.73 2k0f h VAL 87 Cb 0.42 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2k0f h VAL 87 CO 0.03 0.46 -0.18 0.15 0.02 0.00 0.00 177.57 178.06 2k0f h PHE 88 N -0.63 0.22 -3.58 1.57 3.04 -0.47 -3.41 116.94 113.68 2k0f h PHE 88 Ca -0.01 -0.10 -0.64 0.00 3.98 0.00 0.00 57.97 61.20 2k0f h PHE 88 Cb 0.79 -0.03 -0.14 0.00 2.56 0.00 0.00 35.95 39.13 2k0f h PHE 88 CO 0.18 0.84 0.06 0.34 -2.02 0.00 0.00 178.31 177.71 2k0f s ASP 89 N -6.18 6.39 0.19 0.41 2.15 0.14 -4.93 116.67 114.83 2k0f s ASP 89 Ca -0.16 0.11 -0.08 0.00 0.43 0.00 0.00 52.55 52.85 2k0f s ASP 89 Cb 0.01 -2.30 0.09 0.00 -0.30 0.00 0.00 42.92 40.43 2k0f s ASP 89 CO 0.73 -0.53 1.61 0.50 -0.17 0.00 0.00 175.17 177.31 2k0f h LYS 90 N 8.43 0.95 0.20 4.34 1.63 -1.82 -3.11 116.57 127.19 2k0f h LYS 90 Ca -0.27 -0.36 -0.01 0.00 -0.85 0.00 0.00 60.65 59.16 2k0f h LYS 90 Cb 1.12 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 2k0f h LYS 90 CO 0.80 1.03 -0.10 0.38 -3.45 0.00 0.00 179.45 178.11 2k0f h ASP 91 N 0.84 -0.23 -2.29 4.20 2.03 -1.93 -3.50 116.42 115.55 2k0f h ASP 91 Ca 0.13 -0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 2k0f h ASP 91 Cb 0.70 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 2k0f h ASP 91 CO 0.05 0.30 0.00 0.61 -1.03 0.00 0.00 179.24 179.17 2k0f n GLY 92 N 0.58 0.58 0.07 7.15 0.00 -1.18 -5.00 105.19 107.40 2k0f n GLY 92 Ca -0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.14 0.30 0.00 1.61 6.94 -1.26 -4.97 115.26 116.73 2k0f n ASN 93 Ca 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 2k0f n ASN 93 Cb 0.50 0.95 0.00 0.00 -2.36 0.00 0.00 39.78 38.87 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 1.51 1.45 3.42 4.83 0.00 -1.26 -5.10 105.19 110.03 2k0f n GLY 94 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.86 2.42 -0.28 1.61 2.02 -1.26 -1.97 117.35 119.03 2k0f s TYR 95 Ca 0.00 -0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.33 2k0f s TYR 95 Cb 0.00 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.23 2k0f s TYR 95 CO 0.00 0.28 0.01 0.42 -1.57 0.00 0.00 175.55 174.69 2k0f s ILE 96 N -0.99 3.34 0.46 2.71 1.01 0.14 -4.91 121.20 122.96 2k0f s ILE 96 Ca 0.14 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.88 2k0f s ILE 96 Cb -0.10 -2.75 0.02 0.00 0.01 0.00 0.00 42.46 39.63 2k0f s ILE 96 CO 0.06 0.09 0.63 -0.94 0.00 0.00 0.00 174.94 174.78 2k0f s SER 97 N 1.38 5.57 0.24 3.58 1.04 -1.26 -2.43 113.70 121.81 2k0f s SER 97 Ca 0.00 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.13 2k0f s SER 97 Cb -0.17 -0.82 0.28 0.00 0.10 0.00 0.00 66.02 65.41 2k0f s SER 97 CO -0.01 -0.86 1.88 0.00 0.98 0.00 0.00 173.24 175.24 2k0f h ALA 98 N 0.46 1.18 0.20 5.32 0.00 -1.95 -0.67 119.26 123.80 2k0f h ALA 98 Ca -0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2k0f h ALA 98 Cb 1.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2k0f h ALA 98 CO 0.49 0.42 -0.17 0.00 0.00 0.00 0.00 179.25 179.98 2k0f h ALA 99 N 1.37 -0.92 -0.78 0.00 0.00 -2.00 -2.33 119.26 114.60 2k0f h ALA 99 Ca 0.36 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.38 2k0f h ALA 99 Cb 0.02 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 2k0f h ALA 99 CO -0.12 -0.93 0.21 0.93 0.00 0.00 0.00 179.25 179.33 2k0f h GLU 100 N -0.36 0.27 0.00 0.00 5.08 -1.94 -2.03 114.58 115.59 2k0f h GLU 100 Ca -0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2k0f h GLU 100 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k0f h GLU 100 CO -0.01 0.18 -0.27 1.25 -1.00 0.00 0.00 179.01 179.16 2k0f h LEU 101 N 0.27 0.00 -0.26 1.33 5.85 -1.15 -1.39 115.31 119.95 2k0f h LEU 101 Ca 0.45 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.97 2k0f h LEU 101 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2k0f h LEU 101 CO -0.54 0.27 -0.72 -0.09 -0.34 0.00 0.00 178.44 177.03 2k0f h ARG 102 N 0.00 0.70 0.28 1.25 2.43 -0.79 -3.12 114.38 115.12 2k0f h ARG 102 Ca -0.00 -0.54 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 2k0f h ARG 102 Cb 0.67 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2k0f h ARG 102 CO 0.04 1.16 -0.16 1.25 -1.51 0.00 0.00 179.97 180.74 2k0f h HIS 103 N 0.49 -0.43 -0.21 2.20 2.76 -0.90 -0.29 115.15 118.77 2k0f h HIS 103 Ca -0.03 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2k0f h HIS 103 Cb 1.33 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 30.41 2k0f h HIS 103 CO 0.07 -0.26 0.05 -0.24 -1.30 0.00 0.00 177.93 176.26 2k0f h VAL 104 N -0.42 0.92 -0.39 5.26 3.04 -1.50 -0.65 116.25 122.52 2k0f h VAL 104 Ca -0.03 -0.05 -0.11 0.00 -1.01 0.00 0.00 66.70 65.50 2k0f h VAL 104 Cb 0.35 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 2k0f h VAL 104 CO 0.03 0.03 -0.21 0.24 -1.01 0.00 0.00 177.57 176.64 2k0f h MET 105 N 0.14 0.77 -0.40 4.17 2.07 -1.48 -1.07 114.93 119.12 2k0f h MET 105 Ca 0.09 -0.30 0.08 0.00 -2.07 0.00 0.00 59.70 57.50 2k0f h MET 105 Cb 0.08 -0.04 -0.07 0.00 -1.87 0.00 0.00 31.60 29.70 2k0f h MET 105 CO -0.11 0.91 -0.04 1.15 1.07 0.00 0.00 176.91 179.89 2k0f h THR 106 N 0.67 0.65 0.00 2.22 2.02 -0.96 -2.28 112.91 115.24 2k0f h THR 106 Ca 0.09 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 2k0f h THR 106 Cb 0.72 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2k0f h THR 106 CO 0.06 0.01 -0.31 0.78 0.37 0.00 0.00 175.52 176.42 2k0f h ASN 107 N 0.06 0.00 0.16 4.18 4.21 -0.70 -2.85 115.58 120.63 2k0f h ASN 107 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.71 2k0f h ASN 107 Cb 0.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 2k0f h ASN 107 CO -0.37 0.31 -0.01 0.18 -1.29 0.00 0.00 177.43 176.25 2k0f n LEU 108 N -3.60 0.19 0.00 1.61 4.77 -0.44 -4.35 117.00 115.17 2k0f n LEU 108 Ca -0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k0f n LEU 108 Cb 0.44 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2k0f n LEU 108 CO 0.35 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2k0f n GLY 109 N 1.11 1.13 3.77 -0.72 0.00 -1.05 -5.06 105.19 104.37 2k0f n GLY 109 Ca 0.20 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N -1.15 3.16 -1.09 1.61 2.56 -0.89 -5.04 118.70 117.86 2k0f s GLU 110 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 54.97 54.54 2k0f s GLU 110 Cb 0.00 -2.94 0.24 0.00 2.00 0.00 0.00 34.13 33.42 2k0f s GLU 110 CO 0.00 0.72 1.15 -1.59 -0.56 0.00 0.00 175.26 174.98 2k0f s LYS 111 N -1.07 4.06 0.79 4.30 -2.85 -1.26 -4.33 119.74 119.39 2k0f s LYS 111 Ca 0.15 -2.88 -0.12 0.00 -1.00 0.00 0.00 55.97 52.13 2k0f s LYS 111 Cb -0.12 -4.69 0.07 0.00 -2.06 0.00 0.00 37.83 31.03 2k0f s LYS 111 CO 0.05 -1.41 1.11 -0.51 0.10 0.00 0.00 175.35 174.69 2k0f s LEU 112 N -0.14 2.58 0.00 2.77 1.02 -1.26 -5.10 118.68 118.55 2k0f s LEU 112 Ca 0.32 1.17 0.01 0.00 0.02 0.00 0.00 54.13 55.65 2k0f s LEU 112 Cb -0.08 -3.78 -0.00 0.00 0.02 0.00 0.00 46.19 42.35 2k0f s LEU 112 CO -0.06 -1.90 0.05 0.35 0.02 0.00 0.00 176.35 174.81 2k0f n THR 113 N -3.37 0.00 0.10 5.49 -2.24 -1.26 -4.99 114.28 108.01 2k0f n THR 113 Ca 0.07 -2.07 -0.04 0.00 -2.27 0.00 0.00 64.05 59.75 2k0f n THR 113 Cb 0.57 0.53 0.03 0.00 -2.10 0.00 0.00 70.33 69.37 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N 1.18 0.00 -0.65 3.42 5.19 -2.00 -2.68 116.42 120.89 2k0f h ASP 114 Ca -0.33 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 2k0f h ASP 114 Cb 1.08 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 2k0f h ASP 114 CO 0.54 0.78 0.36 -0.08 -3.12 0.00 0.00 179.24 177.72 2k0f h GLU 115 N 0.00 0.92 -0.23 3.56 4.81 -1.99 -0.93 114.58 120.73 2k0f h GLU 115 Ca -0.01 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2k0f h GLU 115 Cb 1.42 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2k0f h GLU 115 CO 0.10 0.68 0.08 0.93 -0.73 0.00 0.00 179.01 180.07 2k0f h GLU 116 N 0.93 0.35 -0.14 1.92 4.39 -1.91 -2.47 114.58 117.64 2k0f h GLU 116 Ca 0.24 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2k0f h GLU 116 Cb 0.04 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2k0f h GLU 116 CO -0.04 0.42 0.04 0.28 -1.16 0.00 0.00 179.01 178.55 2k0f h VAL 117 N 0.20 1.19 -0.81 3.13 2.07 -1.01 0.54 116.25 121.55 2k0f h VAL 117 Ca 0.07 -0.58 0.15 0.00 0.82 0.00 0.00 66.70 67.16 2k0f h VAL 117 Cb 0.21 1.30 -0.15 0.00 -1.52 0.00 0.00 31.29 31.14 2k0f h VAL 117 CO -0.00 0.17 -0.29 -0.78 0.02 0.00 0.00 177.57 176.69 2k0f h ASP 118 N 0.05 -1.06 -0.38 0.57 3.58 -1.25 -1.69 116.42 116.23 2k0f h ASP 118 Ca 0.05 0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 2k0f h ASP 118 Cb 0.23 0.60 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 2k0f h ASP 118 CO -0.00 -0.29 0.15 -0.08 -2.88 0.00 0.00 179.24 176.14 2k0f h GLU 119 N -0.05 0.58 -0.22 0.28 4.81 -1.14 -1.21 114.58 117.62 2k0f h GLU 119 Ca 0.34 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 2k0f h GLU 119 Cb 0.59 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2k0f h GLU 119 CO -0.85 0.56 -0.08 0.52 -0.73 0.00 0.00 179.01 178.43 2k0f h MET 120 N 0.47 0.45 -0.40 1.92 2.86 -0.69 -2.17 114.93 117.38 2k0f h MET 120 Ca 0.13 -0.18 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 2k0f h MET 120 Cb 0.21 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.78 2k0f h MET 120 CO -0.01 0.71 -0.01 0.82 1.06 0.00 0.00 176.91 179.48 2k0f h ILE 121 N 0.17 0.69 -0.76 -1.22 1.08 -1.35 -1.29 117.51 114.84 2k0f h ILE 121 Ca 0.05 -0.03 0.17 0.00 -0.39 0.00 0.00 64.86 64.66 2k0f h ILE 121 Cb 0.56 0.58 -0.12 0.00 -3.07 0.00 0.00 36.82 34.77 2k0f h ILE 121 CO 0.03 0.02 0.13 -0.09 -0.69 0.00 0.00 178.15 177.55 2k0f h ARG 122 N 0.10 0.20 0.10 2.37 9.65 -0.60 0.76 114.38 126.96 2k0f h ARG 122 Ca 0.20 -0.01 -0.27 0.00 -1.10 0.00 0.00 59.98 58.80 2k0f h ARG 122 Cb 0.28 -0.05 0.03 0.00 -1.39 0.00 0.00 29.97 28.84 2k0f h ARG 122 CO -0.33 0.13 -1.11 1.49 2.80 0.00 0.00 179.97 182.95 2k0f h GLU 123 N 0.21 0.57 -0.65 0.20 4.81 -1.44 -3.36 114.58 114.91 2k0f h GLU 123 Ca 0.43 -0.75 -0.07 0.00 -0.13 0.00 0.00 59.36 58.85 2k0f h GLU 123 Cb 0.77 0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 2k0f h GLU 123 CO -0.57 1.33 0.15 0.00 -0.73 0.00 0.00 179.01 179.18 2k0f h ALA 124 N 0.27 1.03 -2.18 2.92 0.00 -0.19 -3.39 119.26 117.73 2k0f h ALA 124 Ca -0.17 -0.24 -0.62 0.00 0.00 0.00 0.00 54.91 53.89 2k0f h ALA 124 Cb 1.80 -0.25 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 2k0f h ALA 124 CO 0.21 0.63 0.35 0.34 0.00 0.00 0.00 179.25 180.79 2k0f s ASP 125 N -6.51 6.53 -0.00 0.00 2.15 0.25 -4.60 116.67 114.49 2k0f s ASP 125 Ca -0.11 0.29 -0.14 0.00 0.43 0.00 0.00 52.55 53.02 2k0f s ASP 125 Cb 0.15 -2.39 -0.34 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 125 CO 0.83 -0.74 0.87 0.40 -0.17 0.00 0.00 175.17 176.37 2k0f h ILE 126 N 5.77 1.15 0.01 4.11 2.04 -1.82 -3.42 117.51 125.34 2k0f h ILE 126 Ca -0.25 -2.62 -0.00 0.00 1.00 0.00 0.00 64.86 62.99 2k0f h ILE 126 Cb 1.09 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.11 2k0f h ILE 126 CO 0.91 0.83 -0.01 -2.24 0.00 0.00 0.00 178.15 177.64 2k0f h ASP 127 N 0.13 -0.01 0.00 1.72 3.04 -1.94 -3.48 116.42 115.87 2k0f h ASP 127 Ca -0.29 -0.71 0.00 0.00 -3.24 0.00 0.00 57.03 52.78 2k0f h ASP 127 Cb 2.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.44 2k0f h ASP 127 CO 0.24 0.83 0.00 0.61 -2.04 0.00 0.00 179.24 178.87 2k0f n GLY 128 N 1.53 0.82 0.14 7.15 0.00 -1.26 -5.00 105.19 108.56 2k0f n GLY 128 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.00 0.00 1.61 3.04 -1.95 -3.47 116.42 115.65 2k0f h ASP 129 Ca 0.00 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.02 0.00 0.61 -2.04 0.00 0.00 179.24 177.83 2k0f n GLY 130 N 1.23 0.60 3.17 7.15 0.00 -1.26 -5.08 105.19 111.00 2k0f n GLY 130 Ca 0.04 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 2k0f n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 131 N -1.23 0.84 -0.28 1.61 -2.07 -1.26 -4.83 119.66 112.43 2k0f s GLN 131 Ca 0.00 -1.15 -0.02 0.00 -1.82 0.00 0.00 55.36 52.38 2k0f s GLN 131 Cb 0.00 -0.52 0.04 0.00 -1.09 0.00 0.00 33.01 31.44 2k0f s GLN 131 CO 0.00 0.08 -0.02 0.08 -1.32 0.00 0.00 175.29 174.11 2k0f s VAL 132 N -2.42 2.98 0.00 3.63 1.01 -1.02 -4.85 120.40 119.73 2k0f s VAL 132 Ca 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.78 2k0f s VAL 132 Cb -0.03 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2k0f s VAL 132 CO -0.00 -0.00 0.00 -0.46 0.00 0.00 0.00 175.10 174.64 2k0f n ASN 133 N 4.64 0.00 0.18 3.32 0.23 -1.26 0.27 115.26 122.64 2k0f n ASN 133 Ca -0.14 -0.91 -0.09 0.00 -0.53 0.00 0.00 54.58 52.91 2k0f n ASN 133 Cb 0.45 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.83 -0.64 -0.86 -2.53 3.20 -1.80 -0.53 116.97 112.98 2k0f h TYR 134 Ca 0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 2k0f h TYR 134 Cb 0.00 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.44 2k0f h TYR 134 CO 0.00 -0.34 0.52 0.93 -1.64 0.00 0.00 178.16 177.63 2k0f h GLU 135 N -0.53 0.87 0.00 1.82 5.08 -1.95 0.16 114.58 120.04 2k0f h GLU 135 Ca -0.04 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 135 Cb 0.44 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 135 CO 0.02 0.58 -0.27 0.93 -1.00 0.00 0.00 179.01 179.27 2k0f h GLU 136 N 0.90 0.00 0.07 2.33 5.08 -1.83 0.47 114.58 121.59 2k0f h GLU 136 Ca 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2k0f h GLU 136 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 136 CO -0.21 0.27 -0.03 0.35 -1.00 0.00 0.00 179.01 178.38 2k0f h PHE 137 N 0.00 -0.08 0.00 4.33 3.57 -0.23 -3.41 116.94 121.11 2k0f h PHE 137 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2k0f h PHE 137 Cb 0.51 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2k0f h PHE 137 CO 0.00 0.48 -0.33 0.28 -2.23 0.00 0.00 178.31 176.51 2k0f h VAL 138 N -0.76 0.47 0.00 1.41 2.07 0.33 -2.38 116.25 117.39 2k0f h VAL 138 Ca -0.01 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2k0f h VAL 138 Cb 0.61 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2k0f h VAL 138 CO 0.02 0.27 0.00 1.56 0.02 0.00 0.00 177.57 179.43 2k0f h GLN 139 N 0.00 0.00 0.00 1.57 4.20 -1.17 -0.17 115.11 119.54 2k0f h GLN 139 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2k0f h GLN 139 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 2k0f h GLN 139 CO 0.04 0.00 -0.72 0.52 -0.67 0.00 0.00 178.83 178.00 2k0f h MET 140 N 0.00 0.00 0.14 1.46 2.86 -1.65 -3.35 114.93 114.38 2k0f h MET 140 Ca 0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 2k0f h MET 140 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2k0f h MET 140 CO 0.00 0.17 -1.34 0.52 1.06 0.00 0.00 176.91 177.32 2k0f h MET 141 N 0.00 0.29 0.00 1.72 2.86 -1.12 -3.53 114.93 115.16 2k0f h MET 141 Ca -0.03 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 2k0f h MET 141 Cb 1.21 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.05 2k0f h MET 141 CO 0.02 1.21 0.00 0.25 1.06 0.00 0.00 176.91 179.46