#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 0.10 -0.44 -0.78 4.81 -2.05 -1.57 114.58 114.66 2k0f h GLU 2 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 2 Cb 0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2k0f h GLU 2 CO 0.00 0.06 0.28 1.05 -0.73 0.00 0.00 179.01 179.68 2k0f h GLU 3 N 0.10 0.58 -0.48 1.92 9.09 -2.05 0.97 114.58 124.71 2k0f h GLU 3 Ca 0.11 -0.04 -0.13 0.00 0.05 0.00 0.00 59.36 59.34 2k0f h GLU 3 Cb 0.13 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2k0f h GLU 3 CO -0.17 0.40 -0.23 1.96 0.05 0.00 0.00 179.01 181.03 2k0f h GLN 4 N 0.59 1.00 -0.03 1.06 4.20 -1.83 -2.29 115.11 117.81 2k0f h GLN 4 Ca 0.16 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 2k0f h GLN 4 Cb -0.05 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 2k0f h GLN 4 CO -0.03 1.11 0.02 0.82 -0.67 0.00 0.00 178.83 180.08 2k0f h ILE 5 N 0.86 1.04 -0.81 2.54 2.04 -0.95 -2.70 117.51 119.52 2k0f h ILE 5 Ca 0.11 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.94 2k0f h ILE 5 Cb 0.81 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 2k0f h ILE 5 CO 0.07 0.03 0.53 0.00 0.00 0.00 0.00 178.15 178.78 2k0f h ALA 6 N 0.97 1.68 -0.41 1.87 0.00 -0.83 0.14 119.26 122.68 2k0f h ALA 6 Ca 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 6 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2k0f h ALA 6 CO -0.00 0.17 0.04 0.93 0.00 0.00 0.00 179.25 180.39 2k0f h GLU 7 N 0.82 0.63 -0.01 0.00 5.08 -1.07 0.22 114.58 120.25 2k0f h GLU 7 Ca 0.37 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2k0f h GLU 7 Cb 0.35 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 7 CO -0.14 0.62 -0.01 0.74 -1.00 0.00 0.00 179.01 179.22 2k0f h PHE 8 N 0.61 0.03 -0.12 4.33 0.04 -1.34 -3.22 116.94 117.27 2k0f h PHE 8 Ca 0.13 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 2k0f h PHE 8 Cb 0.32 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2k0f h PHE 8 CO 0.01 0.57 -0.34 -0.22 -0.60 0.00 0.00 178.31 177.73 2k0f h LYS 9 N -0.52 0.25 0.00 1.51 3.64 -0.56 -1.28 116.57 119.61 2k0f h LYS 9 Ca 0.00 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.11 2k0f h LYS 9 Cb 0.57 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2k0f h LYS 9 CO 0.00 0.57 -0.78 0.93 -2.27 0.00 0.00 179.45 177.90 2k0f h GLU 10 N 0.22 0.00 0.00 1.90 4.39 -0.72 -2.69 114.58 117.68 2k0f h GLU 10 Ca 0.03 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2k0f h GLU 10 Cb 0.71 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2k0f h GLU 10 CO 0.05 0.78 -0.16 0.00 -1.16 0.00 0.00 179.01 178.53 2k0f h ALA 11 N 1.22 1.02 0.33 3.43 0.00 -1.44 -0.27 119.26 123.55 2k0f h ALA 11 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 11 Cb 1.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2k0f h ALA 11 CO 0.10 0.20 -0.16 0.35 0.00 0.00 0.00 179.25 179.74 2k0f h PHE 12 N 0.00 -0.42 0.00 0.00 3.57 -1.19 -3.28 116.94 115.62 2k0f h PHE 12 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 12 Cb 0.69 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2k0f h PHE 12 CO 0.00 -0.09 0.00 0.77 -2.23 0.00 0.00 178.31 176.76 2k0f h SER 13 N -0.95 0.00 -0.10 0.41 0.02 -1.14 -0.10 113.55 111.68 2k0f h SER 13 Ca -0.05 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2k0f h SER 13 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2k0f h SER 13 CO 0.08 0.00 -0.08 0.25 -1.14 0.00 0.00 176.83 175.93 2k0f h LEU 14 N 0.00 0.25 -0.11 5.07 5.85 -1.15 -3.13 115.31 122.09 2k0f h LEU 14 Ca 0.00 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 2k0f h LEU 14 Cb 0.16 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2k0f h LEU 14 CO 0.00 0.66 -0.21 -0.26 -0.34 0.00 0.00 178.44 178.28 2k0f h PHE 15 N -0.15 0.43 -3.35 1.25 0.04 -1.45 -3.45 116.94 110.26 2k0f h PHE 15 Ca 0.02 -0.15 -0.59 0.00 2.80 0.00 0.00 57.97 60.04 2k0f h PHE 15 Cb 0.58 -0.08 -0.09 0.00 2.20 0.00 0.00 35.95 38.56 2k0f h PHE 15 CO 0.08 0.83 0.55 0.34 -0.60 0.00 0.00 178.31 179.50 2k0f s ASP 16 N -6.23 6.79 0.00 2.17 2.15 -0.11 -4.64 116.67 116.80 2k0f s ASP 16 Ca -0.14 0.88 0.00 0.00 0.43 0.00 0.00 52.55 53.72 2k0f s ASP 16 Cb 0.04 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2k0f s ASP 16 CO 0.76 -0.66 0.18 0.29 -0.17 0.00 0.00 175.17 175.57 2k0f n LYS 17 N 6.33 0.00 -2.98 4.34 4.76 -1.26 -4.65 118.16 124.70 2k0f n LYS 17 Ca 0.07 0.25 -0.40 0.00 -2.87 0.00 0.00 58.31 55.36 2k0f n LYS 17 Cb 0.48 -0.87 -0.04 0.00 -1.84 0.00 0.00 35.03 32.75 2k0f n LYS 17 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2k0f s ASP 18 N -2.01 7.08 -0.73 4.39 1.47 -1.26 -4.93 116.67 120.68 2k0f s ASP 18 Ca 0.00 1.30 -0.06 0.00 1.18 0.00 0.00 52.55 54.97 2k0f s ASP 18 Cb 0.00 -2.45 -0.12 0.00 -0.34 0.00 0.00 42.92 40.01 2k0f s ASP 18 CO 0.00 -0.13 2.61 0.61 0.68 0.00 0.00 175.17 178.94 2k0f n GLY 19 N 2.99 3.15 0.08 2.12 0.00 -1.26 -4.59 105.19 107.68 2k0f n GLY 19 Ca -0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 4.98 -0.05 0.00 1.61 3.04 -1.99 -3.49 116.42 120.53 2k0f h ASP 20 Ca 0.45 -0.46 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2k0f h ASP 20 Cb 0.57 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.88 2k0f h ASP 20 CO 1.08 0.65 0.00 0.61 -2.04 0.00 0.00 179.24 179.54 2k0f n GLY 21 N 1.43 0.74 3.09 7.15 0.00 -1.26 -5.16 105.19 111.18 2k0f n GLY 21 Ca -0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 0.33 -0.14 2.61 -4.23 -1.26 -4.50 115.64 108.45 2k0f s THR 22 Ca 0.00 -1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 58.74 2k0f s THR 22 Cb 0.00 -1.33 -0.05 0.00 1.34 0.00 0.00 72.50 72.47 2k0f s THR 22 CO 0.00 -0.86 0.18 -0.63 -0.54 0.00 0.00 174.62 172.77 2k0f s ILE 23 N -3.36 5.41 0.41 2.99 1.01 0.85 -4.84 121.20 123.67 2k0f s ILE 23 Ca 0.04 0.31 0.04 0.00 0.00 0.00 0.00 60.65 61.03 2k0f s ILE 23 Cb 0.04 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2k0f s ILE 23 CO -0.07 0.53 0.06 0.42 0.00 0.00 0.00 174.94 175.88 2k0f s THR 24 N -0.42 1.10 0.04 2.92 -4.23 -1.26 -0.53 115.64 113.25 2k0f s THR 24 Ca 0.14 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.45 2k0f s THR 24 Cb -0.12 -2.52 -0.15 0.00 1.34 0.00 0.00 72.50 71.04 2k0f s THR 24 CO 0.03 0.00 1.30 0.74 -0.54 0.00 0.00 174.62 176.15 2k0f h THR 25 N 1.78 1.36 0.00 3.99 2.02 -1.93 -3.04 112.91 117.09 2k0f h THR 25 Ca -0.40 -1.48 -0.09 0.00 0.77 0.00 0.00 66.41 65.21 2k0f h THR 25 Cb 1.27 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 2k0f h THR 25 CO 0.68 0.44 -0.41 0.11 0.37 0.00 0.00 175.52 176.70 2k0f h LYS 26 N 0.02 0.00 -0.40 6.66 1.57 -1.98 -1.50 116.57 120.93 2k0f h LYS 26 Ca 0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2k0f h LYS 26 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2k0f h LYS 26 CO 0.05 0.41 0.01 0.93 -0.57 0.00 0.00 179.45 180.28 2k0f h GLU 27 N 0.00 0.64 0.30 3.15 5.08 -1.83 -0.94 114.58 120.97 2k0f h GLU 27 Ca -0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 27 Cb 0.73 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2k0f h GLU 27 CO 0.05 0.65 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.50 2k0f h LEU 28 N 0.60 -0.34 -0.86 1.33 3.38 -1.54 -3.30 115.31 114.58 2k0f h LEU 28 Ca 0.13 -0.20 0.14 0.00 0.09 0.00 0.00 57.88 58.03 2k0f h LEU 28 Cb 0.37 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 2k0f h LEU 28 CO 0.01 0.09 0.46 1.23 0.09 0.00 0.00 178.44 180.33 2k0f h GLY 29 N -0.85 1.40 1.10 0.83 0.00 -0.51 0.18 103.07 105.21 2k0f h GLY 29 Ca -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2k0f h GLY 29 CO 0.07 -0.00 0.52 -0.84 0.00 0.00 0.00 176.54 176.29 2k0f h THR 30 N 0.67 1.24 0.60 4.70 2.02 -1.35 -1.71 112.91 119.10 2k0f h THR 30 Ca 0.46 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 2k0f h THR 30 Cb 0.61 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2k0f h THR 30 CO -0.34 0.26 -0.29 0.58 0.37 0.00 0.00 175.52 176.10 2k0f h VAL 31 N 1.21 0.24 -0.39 3.16 2.07 -1.53 -3.08 116.25 117.94 2k0f h VAL 31 Ca 0.31 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k0f h VAL 31 Cb -0.04 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2k0f h VAL 31 CO -0.06 0.03 0.23 0.24 0.02 0.00 0.00 177.57 178.03 2k0f h MET 32 N -1.07 0.52 0.00 1.57 2.07 -0.54 -1.16 114.93 116.32 2k0f h MET 32 Ca -0.08 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.51 2k0f h MET 32 Cb 0.67 -0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 30.29 2k0f h MET 32 CO 0.14 0.37 -0.01 -0.09 1.07 0.00 0.00 176.91 178.39 2k0f h ARG 33 N 0.53 0.00 0.00 1.72 2.43 -1.39 -2.44 114.38 115.23 2k0f h ARG 33 Ca 0.14 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.09 2k0f h ARG 33 Cb -0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2k0f h ARG 33 CO -0.03 0.01 -1.34 0.77 -1.51 0.00 0.00 179.97 177.87 2k0f h SER 34 N 0.00 0.00 0.00 -3.80 0.02 -1.11 -3.38 113.55 105.28 2k0f h SER 34 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2k0f h SER 34 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2k0f h SER 34 CO 0.00 0.85 -0.34 -0.07 -1.14 0.00 0.00 176.83 176.13 2k0f h LEU 35 N 0.00 0.01 0.00 5.07 3.38 -1.32 -3.48 115.31 118.96 2k0f h LEU 35 Ca -0.16 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 56.94 2k0f h LEU 35 Cb 1.79 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2k0f h LEU 35 CO 0.08 1.13 0.00 0.61 0.09 0.00 0.00 178.44 180.35 2k0f n GLY 36 N 1.57 4.23 3.99 0.83 0.00 -0.94 -4.43 105.19 110.44 2k0f n GLY 36 Ca -0.16 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 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 3.61 2.35 -0.56 1.61 -0.21 -1.26 -4.65 119.66 120.55 2k0f s GLN 37 Ca 0.00 -1.70 -0.24 0.00 0.02 0.00 0.00 55.36 53.44 2k0f s GLN 37 Cb 0.00 -2.49 0.04 0.00 1.00 0.00 0.00 33.01 31.56 2k0f s GLN 37 CO 0.00 -0.70 0.94 1.21 -2.12 0.00 0.00 175.29 174.62 2k0f s ASN 38 N -4.50 6.31 1.18 5.90 2.47 -1.26 -3.74 114.94 121.30 2k0f s ASN 38 Ca 0.53 -0.44 -0.17 0.00 0.42 0.00 0.00 52.86 53.20 2k0f s ASN 38 Cb -0.05 -2.43 0.27 0.00 -1.45 0.00 0.00 41.25 37.59 2k0f s ASN 38 CO 0.33 -1.25 1.08 -2.16 -3.72 0.00 0.00 177.10 171.37 2k0f s PRO 39 N 3.95 -1.02 0.65 0.43 0.04 -1.26 -5.04 135.00 132.75 2k0f s PRO 39 Ca 0.29 0.17 -0.10 0.00 0.04 0.00 0.00 61.00 61.41 2k0f s PRO 39 Cb -0.13 -1.60 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 2k0f s PRO 39 CO 0.18 -3.62 1.02 0.95 0.04 0.00 0.00 177.00 175.57 2k0f s THR 40 N -2.86 3.99 -0.61 1.26 -4.23 -1.26 -4.97 115.64 106.96 2k0f s THR 40 Ca 0.69 0.51 0.25 0.00 -1.18 0.00 0.00 61.69 61.96 2k0f s THR 40 Cb -0.14 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.35 2k0f s THR 40 CO 0.57 -0.78 1.75 -0.62 -0.54 0.00 0.00 174.62 175.01 2k0f n GLU 41 N -2.81 0.24 -0.13 3.99 1.02 -1.26 -2.75 120.64 118.94 2k0f n GLU 41 Ca 0.06 0.31 -0.06 0.00 -0.02 0.00 0.00 57.16 57.45 2k0f n GLU 41 Cb 0.56 -1.85 0.11 0.00 -0.02 0.00 0.00 31.44 30.24 2k0f n GLU 41 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k0f h ALA 42 N 2.40 0.97 0.00 0.62 0.00 -1.97 0.47 119.26 121.74 2k0f h ALA 42 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2k0f h ALA 42 Cb 0.58 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k0f h ALA 42 CO 0.00 0.62 -0.47 0.93 0.00 0.00 0.00 179.25 180.32 2k0f h GLU 43 N 0.79 0.00 0.12 0.00 5.08 -1.92 0.29 114.58 118.94 2k0f h GLU 43 Ca 0.14 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.18 2k0f h GLU 43 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2k0f h GLU 43 CO 0.03 0.47 -1.67 -0.07 -1.00 0.00 0.00 179.01 176.78 2k0f h LEU 44 N 0.00 0.39 -0.74 1.33 3.38 -1.51 -2.83 115.31 115.33 2k0f h LEU 44 Ca -0.00 -0.62 0.07 0.00 0.09 0.00 0.00 57.88 57.41 2k0f h LEU 44 Cb 0.93 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 2k0f h LEU 44 CO 0.06 1.53 0.42 1.56 0.09 0.00 0.00 178.44 182.10 2k0f h GLN 45 N 0.07 0.73 -0.19 1.13 1.08 -0.86 -0.20 115.11 116.87 2k0f h GLN 45 Ca -0.30 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 56.87 2k0f h GLN 45 Cb 2.03 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 29.29 2k0f h GLN 45 CO 0.14 0.48 0.10 0.22 -0.95 0.00 0.00 178.83 178.82 2k0f h ASP 46 N 0.75 0.15 -0.56 1.46 3.58 -0.49 -1.20 116.42 120.11 2k0f h ASP 46 Ca 0.34 0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.90 2k0f h ASP 46 Cb 0.25 -0.02 -0.09 0.00 1.72 0.00 0.00 39.33 41.19 2k0f h ASP 46 CO -0.21 0.11 0.06 -0.03 -2.88 0.00 0.00 179.24 176.30 2k0f h MET 47 N 0.21 0.18 0.01 0.28 4.05 -1.47 -1.95 114.93 116.23 2k0f h MET 47 Ca 0.07 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.51 2k0f h MET 47 Cb 0.01 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.72 2k0f h MET 47 CO -0.05 0.12 -0.31 0.82 0.23 0.00 0.00 176.91 177.73 2k0f h ILE 48 N 0.19 0.33 -0.11 1.77 2.04 -0.60 -3.20 117.51 117.92 2k0f h ILE 48 Ca 0.29 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.04 2k0f h ILE 48 Cb 0.44 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2k0f h ILE 48 CO -0.42 0.00 -0.41 0.78 0.00 0.00 0.00 178.15 178.10 2k0f h ASN 49 N -0.46 0.26 -0.98 1.72 2.35 -1.21 0.11 115.58 117.37 2k0f h ASN 49 Ca 0.06 -0.11 0.22 0.00 -0.55 0.00 0.00 56.30 55.92 2k0f h ASN 49 Cb 0.54 -0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.72 2k0f h ASN 49 CO -0.25 0.65 0.56 -0.08 -1.65 0.00 0.00 177.43 176.66 2k0f h GLU 50 N 0.21 0.59 0.00 0.81 4.81 -1.35 -3.15 114.58 116.50 2k0f h GLU 50 Ca 0.02 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 2k0f h GLU 50 Cb 0.82 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 2k0f h GLU 50 CO 0.06 0.39 -2.06 1.33 -0.73 0.00 0.00 179.01 178.00 2k0f n VAL 51 N -4.88 0.78 -1.57 0.32 0.24 -0.82 -4.92 118.33 107.48 2k0f n VAL 51 Ca 0.25 -0.62 -0.50 0.00 -2.04 0.00 0.00 64.34 61.43 2k0f n VAL 51 Cb 0.68 -0.34 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -2.47 2.73 -0.12 -1.34 2.03 0.32 -4.86 116.55 112.84 2k0f n ASP 52 Ca -0.20 0.62 -0.22 0.00 0.52 0.00 0.00 54.79 55.51 2k0f n ASP 52 Cb 0.87 -1.33 -0.12 0.00 -0.72 0.00 0.00 41.12 39.82 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 8.71 1.27 0.19 -1.67 0.00 -1.26 -4.72 120.51 123.02 2k0f n ALA 53 Ca 0.32 -1.02 -0.08 0.00 0.00 0.00 0.00 53.44 52.66 2k0f n ALA 53 Cb 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.36 -0.45 0.00 0.00 3.04 -1.95 -3.49 116.42 113.21 2k0f h ASP 54 Ca -0.59 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.21 2k0f h ASP 54 Cb 1.79 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 40.20 2k0f h ASP 54 CO -0.18 -0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.55 2k0f n GLY 55 N 0.30 -0.79 0.16 7.15 0.00 -1.26 -5.04 105.19 105.70 2k0f n GLY 55 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 0.81 -0.56 1.61 7.08 -1.96 -3.48 115.58 119.08 2k0f h ASN 56 Ca 0.00 -0.78 0.00 0.00 -3.08 0.00 0.00 56.30 52.44 2k0f h ASN 56 Cb 0.00 -0.26 0.00 0.00 -2.08 0.00 0.00 38.32 35.98 2k0f h ASN 56 CO 0.00 1.59 0.00 0.61 -2.08 0.00 0.00 177.43 177.55 2k0f n GLY 57 N 1.46 0.86 3.08 9.14 0.00 -1.26 -5.06 105.19 113.40 2k0f n GLY 57 Ca -0.14 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.56 0.32 -0.46 2.61 -4.23 -1.26 -4.93 115.64 105.13 2k0f s THR 58 Ca 0.00 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 58.85 2k0f s THR 58 Cb 0.00 -1.17 0.10 0.00 1.34 0.00 0.00 72.50 72.77 2k0f s THR 58 CO 0.00 -0.80 0.35 -0.63 -0.54 0.00 0.00 174.62 173.00 2k0f s ILE 59 N -3.04 4.49 0.67 2.99 1.01 0.31 -4.82 121.20 122.81 2k0f s ILE 59 Ca 0.01 -1.53 -0.11 0.00 0.00 0.00 0.00 60.65 59.02 2k0f s ILE 59 Cb 0.02 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 2k0f s ILE 59 CO -0.06 -0.67 1.06 -1.81 0.00 0.00 0.00 174.94 173.46 2k0f s ASP 60 N 2.61 5.75 0.14 3.58 1.11 -1.26 -0.10 116.67 128.50 2k0f s ASP 60 Ca 0.04 1.32 -0.27 0.00 0.18 0.00 0.00 52.55 53.83 2k0f s ASP 60 Cb -0.25 -2.24 -0.02 0.00 1.07 0.00 0.00 42.92 41.48 2k0f s ASP 60 CO 0.02 -1.17 1.59 0.15 1.18 0.00 0.00 175.17 176.94 2k0f h PHE 61 N -0.53 -1.08 0.00 4.23 3.57 -1.97 -1.19 116.94 119.96 2k0f h PHE 61 Ca -0.45 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 61 Cb 1.22 0.51 -0.00 0.00 2.79 0.00 0.00 35.95 40.46 2k0f h PHE 61 CO 0.58 -0.43 -0.09 -1.00 -2.23 0.00 0.00 178.31 175.14 2k0f h PRO 62 N -0.40 0.00 0.82 6.41 0.13 -1.98 0.15 132.00 137.13 2k0f h PRO 62 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 2k0f h PRO 62 Cb 0.58 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.72 2k0f h PRO 62 CO -0.45 0.09 -0.39 0.93 -0.23 0.00 0.00 178.00 177.95 2k0f h GLU 63 N 0.00 -1.06 -0.25 0.86 5.08 -1.66 -3.01 114.58 114.54 2k0f h GLU 63 Ca -0.00 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 63 Cb 0.36 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2k0f h GLU 63 CO 0.01 -0.70 0.12 0.35 -1.00 0.00 0.00 179.01 177.79 2k0f h PHE 64 N -1.25 0.22 -0.58 4.33 3.04 -0.63 -3.09 116.94 118.98 2k0f h PHE 64 Ca -0.11 0.01 0.10 0.00 3.98 0.00 0.00 57.97 61.95 2k0f h PHE 64 Cb 0.85 -0.06 -0.11 0.00 2.56 0.00 0.00 35.95 39.19 2k0f h PHE 64 CO -0.00 0.12 -0.38 1.25 -2.02 0.00 0.00 178.31 177.28 2k0f h LEU 65 N 0.26 -1.32 -1.34 0.59 5.85 -0.83 -2.19 115.31 116.32 2k0f h LEU 65 Ca 0.10 0.24 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2k0f h LEU 65 Cb 0.04 0.62 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2k0f h LEU 65 CO -0.08 -0.32 0.00 0.71 -0.34 0.00 0.00 178.44 178.41 2k0f h THR 66 N -0.20 0.00 0.18 1.05 1.35 -1.45 0.19 112.91 114.04 2k0f h THR 66 Ca 0.21 -0.46 -0.26 0.00 -0.55 0.00 0.00 66.41 65.35 2k0f h THR 66 Cb 0.56 1.41 0.03 0.00 -1.73 0.00 0.00 68.15 68.42 2k0f h THR 66 CO -0.68 0.00 -1.15 -0.03 -0.25 0.00 0.00 175.52 173.41 2k0f h MET 67 N 0.00 0.45 0.13 4.72 1.85 -1.36 -2.89 114.93 117.83 2k0f h MET 67 Ca 0.00 -0.73 -0.28 0.00 -0.61 0.00 0.00 59.70 58.08 2k0f h MET 67 Cb 0.48 0.27 0.00 0.00 0.43 0.00 0.00 31.60 32.78 2k0f h MET 67 CO 0.00 1.34 -1.27 0.52 -0.40 0.00 0.00 176.91 177.10 2k0f h MET 68 N -0.06 0.28 0.00 0.39 2.07 -0.89 -3.27 114.93 113.45 2k0f h MET 68 Ca -0.20 -0.48 0.00 0.00 -2.07 0.00 0.00 59.70 56.96 2k0f h MET 68 Cb 1.89 0.18 0.00 0.00 -1.87 0.00 0.00 31.60 31.80 2k0f h MET 68 CO 0.22 1.22 0.00 0.00 1.07 0.00 0.00 176.91 179.42 2k0f h ALA 69 N 0.56 1.00 -2.38 6.32 0.00 -0.77 -3.44 119.26 120.55 2k0f h ALA 69 Ca -0.15 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.22 2k0f h ALA 69 Cb 1.98 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 2k0f h ALA 69 CO 0.20 0.00 0.52 0.50 0.00 0.00 0.00 179.25 180.48 2k0f s ARG 70 N -3.23 4.46 0.29 0.00 3.52 -1.09 -5.04 118.95 117.85 2k0f s ARG 70 Ca 0.07 1.56 0.05 0.00 -0.13 0.00 0.00 55.73 57.28 2k0f s ARG 70 Cb 0.10 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 2k0f s ARG 70 CO 0.51 -0.23 0.42 0.15 -0.81 0.00 0.00 175.30 175.34 2k0f s LYS 71 N 1.44 3.32 0.50 5.12 1.02 -1.26 -4.98 119.74 124.90 2k0f s LYS 71 Ca 0.54 -0.81 0.04 0.00 0.02 0.00 0.00 55.97 55.77 2k0f s LYS 71 Cb -0.24 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 2k0f s LYS 71 CO 0.25 0.27 0.19 -1.64 -0.92 0.00 0.00 175.35 173.50 2k0f s MET 72 N -4.09 2.21 0.44 1.68 -1.94 -1.26 -5.14 119.30 111.21 2k0f s MET 72 Ca 0.38 -2.13 -0.08 0.00 -1.71 0.00 0.00 55.69 52.16 2k0f s MET 72 Cb -0.09 -1.84 -0.05 0.00 2.01 0.00 0.00 34.83 34.85 2k0f s MET 72 CO 0.30 -0.39 0.77 0.15 -0.01 0.00 0.00 175.02 175.85 2k0f s LYS 73 N -4.02 3.67 0.21 2.03 1.02 -1.26 -4.74 119.74 116.65 2k0f s LYS 73 Ca 0.25 0.35 -0.18 0.00 0.02 0.00 0.00 55.97 56.40 2k0f s LYS 73 Cb 0.01 -2.39 0.20 0.00 -0.52 0.00 0.00 37.83 35.13 2k0f s LYS 73 CO 0.15 -0.11 1.57 -0.44 -0.92 0.00 0.00 175.35 175.60 2k0f h ASP 74 N 0.83 -1.27 -0.13 2.83 3.32 -2.00 0.12 116.42 120.11 2k0f h ASP 74 Ca -0.47 0.27 0.04 0.00 0.02 0.00 0.00 57.03 56.89 2k0f h ASP 74 Cb 1.19 0.66 -0.04 0.00 0.22 0.00 0.00 39.33 41.36 2k0f h ASP 74 CO 0.63 -0.30 -0.14 0.74 -1.72 0.00 0.00 179.24 178.45 2k0f h THR 75 N -0.07 0.62 0.00 0.35 2.02 -1.99 0.67 112.91 114.51 2k0f h THR 75 Ca 0.30 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.40 2k0f h THR 75 Cb 0.58 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2k0f h THR 75 CO -0.85 0.00 -0.38 0.44 0.37 0.00 0.00 175.52 175.10 2k0f h ASP 76 N -0.17 0.00 0.24 4.18 3.32 -1.79 -2.28 116.42 119.91 2k0f h ASP 76 Ca 0.09 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.81 2k0f h ASP 76 Cb 0.31 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.89 2k0f h ASP 76 CO -0.23 0.38 -1.50 -1.28 -1.72 0.00 0.00 179.24 174.89 2k0f h SER 77 N 0.00 0.78 -0.11 6.45 0.87 0.03 -2.92 113.55 118.64 2k0f h SER 77 Ca -0.00 -0.93 -0.00 0.00 -1.23 0.00 0.00 61.79 59.63 2k0f h SER 77 Cb 0.70 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2k0f h SER 77 CO 0.05 1.71 0.06 -0.08 -0.53 0.00 0.00 176.83 178.04 2k0f h GLU 78 N 0.10 0.16 -0.50 2.24 4.81 -0.97 -2.82 114.58 117.59 2k0f h GLU 78 Ca -0.27 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.03 2k0f h GLU 78 Cb 2.13 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 31.37 2k0f h GLU 78 CO 0.25 0.20 -0.30 1.49 -0.73 0.00 0.00 179.01 179.91 2k0f h GLU 79 N 0.08 -0.18 -0.73 1.92 4.57 -1.50 -2.35 114.58 116.39 2k0f h GLU 79 Ca 0.04 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.38 2k0f h GLU 79 Cb 0.09 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.62 2k0f h GLU 79 CO -0.01 -0.12 0.25 1.49 -1.18 0.00 0.00 179.01 179.45 2k0f h GLU 80 N -0.18 0.36 0.54 1.92 4.81 -1.53 -0.80 114.58 119.69 2k0f h GLU 80 Ca 0.21 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 80 Cb 0.53 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 80 CO -0.60 0.24 -0.26 0.82 -0.73 0.00 0.00 179.01 178.48 2k0f h ILE 81 N 0.37 0.01 -0.46 2.32 2.04 -1.17 -2.58 117.51 118.05 2k0f h ILE 81 Ca 0.40 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2k0f h ILE 81 Cb 0.64 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2k0f h ILE 81 CO -0.43 0.00 0.28 0.08 0.00 0.00 0.00 178.15 178.08 2k0f h ARG 82 N -1.19 0.62 -0.63 2.37 0.11 -1.27 0.25 114.38 114.64 2k0f h ARG 82 Ca -0.07 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 2k0f h ARG 82 Cb 0.55 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.47 2k0f h ARG 82 CO 0.12 0.43 0.30 0.93 0.10 0.00 0.00 179.97 181.85 2k0f h GLU 83 N 0.63 0.90 0.00 0.08 4.39 -1.24 0.76 114.58 120.10 2k0f h GLU 83 Ca 0.17 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 83 Cb -0.03 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 2k0f h GLU 83 CO -0.03 0.72 -0.35 0.00 -1.16 0.00 0.00 179.01 178.18 2k0f h ALA 84 N 1.13 0.82 -0.22 3.43 0.00 -0.99 -2.67 119.26 120.76 2k0f h ALA 84 Ca 0.22 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2k0f h ALA 84 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k0f h ALA 84 CO -0.03 0.44 -0.39 0.35 0.00 0.00 0.00 179.25 179.63 2k0f h PHE 85 N 0.00 0.60 0.00 0.00 3.57 -0.47 -1.31 116.94 119.33 2k0f h PHE 85 Ca -0.00 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 2k0f h PHE 85 Cb 1.15 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 2k0f h PHE 85 CO 0.00 0.82 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.79 2k0f h ARG 86 N 0.42 0.00 0.09 1.11 2.43 -0.50 -2.44 114.38 115.49 2k0f h ARG 86 Ca 0.04 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.99 2k0f h ARG 86 Cb 0.87 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2k0f h ARG 86 CO 0.07 0.02 -1.09 0.28 -1.51 0.00 0.00 179.97 177.74 2k0f h VAL 87 N 0.00 1.21 0.05 0.20 2.07 -1.49 -3.42 116.25 114.88 2k0f h VAL 87 Ca -0.00 -2.40 -0.00 0.00 0.82 0.00 0.00 66.70 65.12 2k0f h VAL 87 Cb 0.14 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2k0f h VAL 87 CO 0.00 0.65 -0.03 0.15 0.02 0.00 0.00 177.57 178.36 2k0f h PHE 88 N -0.49 -0.07 -3.02 1.57 3.57 -1.05 -3.32 116.94 114.14 2k0f h PHE 88 Ca -0.24 -0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.71 2k0f h PHE 88 Cb 1.59 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 40.28 2k0f h PHE 88 CO 0.16 -0.01 1.03 0.34 -2.23 0.00 0.00 178.31 177.59 2k0f s ASP 89 N -5.16 6.32 0.05 0.41 2.15 -0.94 -4.88 116.67 114.62 2k0f s ASP 89 Ca -0.14 0.14 -0.27 0.00 0.43 0.00 0.00 52.55 52.71 2k0f s ASP 89 Cb 0.05 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 89 CO 0.66 -1.58 1.49 0.50 -0.17 0.00 0.00 175.17 176.07 2k0f h LYS 90 N 10.08 -0.45 0.08 4.34 3.64 -1.89 -3.17 116.57 129.20 2k0f h LYS 90 Ca -0.26 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2k0f h LYS 90 Cb 1.07 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2k0f h LYS 90 CO 1.19 -0.21 -0.04 0.38 -2.27 0.00 0.00 179.45 178.51 2k0f h ASP 91 N -0.61 -0.09 0.00 4.20 2.03 -1.92 -3.48 116.42 116.54 2k0f h ASP 91 Ca -0.05 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 2k0f h ASP 91 Cb 0.45 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 2k0f h ASP 91 CO 0.08 0.04 0.00 0.61 -1.03 0.00 0.00 179.24 178.94 2k0f n GLY 92 N -0.84 0.90 0.01 7.15 0.00 -1.20 -5.05 105.19 106.16 2k0f n GLY 92 Ca -0.08 -0.82 -0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 3.79 0.00 1.61 0.23 -1.26 -5.02 115.26 114.60 2k0f n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2k0f n ASN 93 Cb 0.00 0.90 0.00 0.00 -2.08 0.00 0.00 39.78 38.60 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 2.47 1.00 3.07 4.83 0.00 -1.26 -5.05 105.19 110.25 2k0f n GLY 94 Ca -0.05 -0.20 -0.23 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 -2.00 1.27 -0.18 1.61 2.02 -1.26 -3.28 117.35 115.53 2k0f s TYR 95 Ca 0.00 -0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.37 2k0f s TYR 95 Cb 0.00 -0.86 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 2k0f s TYR 95 CO 0.00 -0.09 -0.10 0.42 -1.57 0.00 0.00 175.55 174.21 2k0f s ILE 96 N -0.02 3.09 0.63 2.71 1.01 -0.61 -4.96 121.20 123.06 2k0f s ILE 96 Ca -0.01 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2k0f s ILE 96 Cb -0.08 -2.36 0.08 0.00 0.01 0.00 0.00 42.46 40.11 2k0f s ILE 96 CO 0.01 0.48 0.87 -0.94 0.00 0.00 0.00 174.94 175.36 2k0f s SER 97 N 1.03 4.85 0.37 3.58 1.04 -1.26 -0.96 113.70 122.35 2k0f s SER 97 Ca -0.00 -0.22 0.07 0.00 0.48 0.00 0.00 55.95 56.28 2k0f s SER 97 Cb -0.15 -0.42 0.74 0.00 0.10 0.00 0.00 66.02 66.29 2k0f s SER 97 CO -0.01 -1.48 1.93 0.00 0.98 0.00 0.00 173.24 174.66 2k0f h ALA 98 N -0.19 1.50 0.14 5.32 0.00 -1.98 -2.13 119.26 121.91 2k0f h ALA 98 Ca -0.39 -0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.06 2k0f h ALA 98 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 98 CO 0.46 0.36 -1.38 0.00 0.00 0.00 0.00 179.25 178.70 2k0f h ALA 99 N 1.61 0.14 0.00 0.00 0.00 -1.97 0.14 119.26 119.19 2k0f h ALA 99 Ca 0.08 -0.97 -0.06 0.00 0.00 0.00 0.00 54.91 53.96 2k0f h ALA 99 Cb 0.28 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k0f h ALA 99 CO 0.01 1.01 -0.29 0.93 0.00 0.00 0.00 179.25 180.91 2k0f h GLU 100 N 0.08 0.00 -0.05 0.00 5.08 -1.91 -0.80 114.58 116.97 2k0f h GLU 100 Ca -0.19 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2k0f h GLU 100 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2k0f h GLU 100 CO 0.19 0.29 -0.26 1.25 -1.00 0.00 0.00 179.01 179.48 2k0f h LEU 101 N 0.00 0.32 -0.20 1.33 5.85 -1.25 -2.72 115.31 118.63 2k0f h LEU 101 Ca -0.00 -0.66 0.04 0.00 0.84 0.00 0.00 57.88 58.10 2k0f h LEU 101 Cb 0.54 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2k0f h LEU 101 CO 0.04 0.93 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.93 2k0f h ARG 102 N -0.27 0.01 -0.13 1.25 2.43 -0.70 -2.17 114.38 114.79 2k0f h ARG 102 Ca -0.02 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 102 Cb 0.93 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 2k0f h ARG 102 CO 0.05 0.00 -0.18 1.25 -1.51 0.00 0.00 179.97 179.59 2k0f h HIS 103 N 0.01 -0.56 -0.52 2.20 2.76 -1.19 -0.49 115.15 117.35 2k0f h HIS 103 Ca 0.10 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 2k0f h HIS 103 Cb 0.15 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 2k0f h HIS 103 CO -0.22 -0.16 0.11 -0.24 -1.30 0.00 0.00 177.93 176.13 2k0f h VAL 104 N -0.13 1.22 0.00 5.26 3.04 -1.51 -1.11 116.25 123.02 2k0f h VAL 104 Ca 0.02 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 2k0f h VAL 104 Cb 0.19 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 2k0f h VAL 104 CO -0.19 0.30 0.00 0.24 -1.01 0.00 0.00 177.57 176.91 2k0f h MET 105 N 0.78 0.00 -0.00 4.17 2.07 -1.38 0.15 114.93 120.71 2k0f h MET 105 Ca 0.17 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.79 2k0f h MET 105 Cb 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.04 2k0f h MET 105 CO 0.00 0.00 -0.02 1.15 1.07 0.00 0.00 176.91 179.12 2k0f h THR 106 N 0.00 1.54 0.00 2.22 2.02 0.14 -2.53 112.91 116.29 2k0f h THR 106 Ca 0.00 -1.60 -0.04 0.00 0.77 0.00 0.00 66.41 65.55 2k0f h THR 106 Cb 0.47 2.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 2k0f h THR 106 CO 0.00 0.42 -0.17 -1.13 0.37 0.00 0.00 175.52 175.00 2k0f h ASN 107 N -0.65 0.00 0.30 4.18 -0.73 -0.85 0.13 115.58 117.96 2k0f h ASN 107 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2k0f h ASN 107 Cb 0.69 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.28 2k0f h ASN 107 CO 0.00 0.17 0.00 0.18 -0.37 0.00 0.00 177.43 177.42 2k0f n LEU 108 N -3.25 0.00 -0.03 0.34 4.77 0.47 -4.89 117.00 114.40 2k0f n LEU 108 Ca 0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2k0f n LEU 108 Cb 0.46 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2k0f n LEU 108 CO 0.33 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2k0f n GLY 109 N 0.31 0.86 3.92 -0.72 0.00 0.45 -5.03 105.19 104.97 2k0f n GLY 109 Ca 0.10 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.17 3.57 -0.27 1.61 0.41 -0.97 -5.04 118.70 114.84 2k0f s GLU 110 Ca 0.00 -0.13 0.03 0.00 -0.41 0.00 0.00 54.97 54.45 2k0f s GLU 110 Cb 0.00 -2.67 0.07 0.00 -1.78 0.00 0.00 34.13 29.75 2k0f s GLU 110 CO 0.00 0.20 -0.08 0.21 -0.49 0.00 0.00 175.26 175.11 2k0f s LYS 111 N -3.80 2.03 0.22 1.61 2.20 -1.26 -4.42 119.74 116.32 2k0f s LYS 111 Ca 0.42 -1.39 -0.05 0.00 -0.36 0.00 0.00 55.97 54.59 2k0f s LYS 111 Cb -0.10 -2.90 -0.05 0.00 -1.51 0.00 0.00 37.83 33.26 2k0f s LYS 111 CO 0.32 -0.64 0.47 -0.51 -0.36 0.00 0.00 175.35 174.63 2k0f s LEU 112 N 1.11 4.17 0.00 5.43 1.43 -1.26 -5.13 118.68 124.43 2k0f s LEU 112 Ca -0.05 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2k0f s LEU 112 Cb -0.20 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2k0f s LEU 112 CO -0.06 -0.08 0.00 0.35 0.23 0.00 0.00 176.35 176.80 2k0f n THR 113 N -0.48 0.00 0.04 5.49 -2.24 -1.26 -4.99 114.28 110.84 2k0f n THR 113 Ca -0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 2k0f n THR 113 Cb 0.53 -1.39 -0.13 0.00 -2.10 0.00 0.00 70.33 67.24 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 0.00 0.06 0.38 3.42 3.32 -2.00 -3.21 116.42 118.39 2k0f h ASP 114 Ca 0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2k0f h ASP 114 Cb 0.00 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2k0f h ASP 114 CO 0.00 1.06 -0.23 -0.33 -1.72 0.00 0.00 179.24 178.02 2k0f h GLU 115 N 0.01 -0.56 -0.94 3.56 3.07 -2.00 -2.94 114.58 114.78 2k0f h GLU 115 Ca -0.11 0.04 0.12 0.00 -0.50 0.00 0.00 59.36 58.91 2k0f h GLU 115 Cb 1.87 0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 29.82 2k0f h GLU 115 CO 0.12 -0.37 0.57 0.93 -1.40 0.00 0.00 179.01 178.86 2k0f h GLU 116 N -0.58 0.87 0.53 2.33 5.08 -1.94 -1.14 114.58 119.72 2k0f h GLU 116 Ca -0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 116 Cb 0.48 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 116 CO 0.04 0.57 -0.51 0.28 -1.00 0.00 0.00 179.01 178.40 2k0f h VAL 117 N 0.89 0.00 -0.77 3.13 2.07 -1.56 -2.63 116.25 117.38 2k0f h VAL 117 Ca 0.47 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.17 2k0f h VAL 117 Cb 0.50 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.15 2k0f h VAL 117 CO -0.28 0.00 0.16 -0.78 0.02 0.00 0.00 177.57 176.70 2k0f h ASP 118 N -1.03 -0.04 -0.40 0.57 1.82 -1.20 -1.14 116.42 115.00 2k0f h ASP 118 Ca -0.07 0.17 -0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2k0f h ASP 118 Cb 0.88 0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.11 2k0f h ASP 118 CO -0.05 -0.08 0.24 -0.08 -1.61 0.00 0.00 179.24 177.66 2k0f h GLU 119 N 0.23 0.55 -0.13 0.28 4.81 -1.22 -2.40 114.58 116.70 2k0f h GLU 119 Ca 0.45 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.51 2k0f h GLU 119 Cb 0.80 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2k0f h GLU 119 CO -0.57 0.42 -0.36 1.98 -0.73 0.00 0.00 179.01 179.75 2k0f h MET 120 N 0.52 0.48 -0.22 1.92 4.05 -0.94 -3.03 114.93 117.71 2k0f h MET 120 Ca 0.14 -0.33 -0.20 0.00 -0.28 0.00 0.00 59.70 59.02 2k0f h MET 120 Cb 0.01 0.05 0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2k0f h MET 120 CO -0.03 0.95 -0.66 0.97 0.23 0.00 0.00 176.91 178.37 2k0f h ILE 121 N 0.08 1.28 0.00 1.77 2.10 -1.23 -3.11 117.51 118.39 2k0f h ILE 121 Ca -0.01 -1.85 0.00 0.00 1.08 0.00 0.00 64.86 64.08 2k0f h ILE 121 Cb 0.97 1.82 0.00 0.00 -1.09 0.00 0.00 36.82 38.52 2k0f h ILE 121 CO 0.08 0.59 0.00 0.08 -1.08 0.00 0.00 178.15 177.82 2k0f h ARG 122 N 0.59 0.00 -0.08 2.19 0.11 -1.51 -0.04 114.38 115.65 2k0f h ARG 122 Ca -0.02 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.88 2k0f h ARG 122 Cb 1.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 2k0f h ARG 122 CO 0.14 0.00 -0.71 1.49 0.10 0.00 0.00 179.97 180.99 2k0f h GLU 123 N 0.00 0.37 -0.01 0.08 4.81 -1.52 -3.35 114.58 114.96 2k0f h GLU 123 Ca 0.00 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 2k0f h GLU 123 Cb 0.23 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2k0f h GLU 123 CO 0.00 0.94 -0.05 0.00 -0.73 0.00 0.00 179.01 179.16 2k0f h ALA 124 N 0.98 0.02 -2.64 2.92 0.00 -1.33 -3.46 119.26 115.75 2k0f h ALA 124 Ca -0.03 -0.37 -0.52 0.00 0.00 0.00 0.00 54.91 53.99 2k0f h ALA 124 Cb 1.28 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.12 2k0f h ALA 124 CO 0.12 -0.10 0.89 0.34 0.00 0.00 0.00 179.25 180.50 2k0f s ASP 125 N -5.99 6.55 -0.18 0.00 2.15 -0.09 -4.82 116.67 114.29 2k0f s ASP 125 Ca -0.17 2.68 -0.13 0.00 0.43 0.00 0.00 52.55 55.37 2k0f s ASP 125 Cb 0.00 -2.60 -0.07 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 125 CO 0.70 -0.84 -0.28 -0.38 -0.17 0.00 0.00 175.17 174.20 2k0f n ILE 126 N 3.69 1.32 -0.16 4.11 5.41 -1.26 -4.72 119.36 127.75 2k0f n ILE 126 Ca 0.13 -0.08 -0.08 0.00 1.00 0.00 0.00 62.75 63.72 2k0f n ILE 126 Cb 0.38 -1.98 0.01 0.00 -0.71 0.00 0.00 39.64 37.34 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 -0.79 0.60 0.00 4.38 3.04 -1.92 -3.47 116.42 118.25 2k0f h ASP 127 Ca -0.31 -0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 2k0f h ASP 127 Cb 1.17 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 2k0f h ASP 127 CO -0.19 0.56 0.00 0.61 -2.04 0.00 0.00 179.24 178.18 2k0f n GLY 128 N -0.91 0.92 0.24 7.15 0.00 -1.26 -5.02 105.19 106.30 2k0f n GLY 128 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 0.72 0.00 0.00 1.61 2.03 -1.95 -3.47 116.42 115.36 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.05 0.00 0.61 -1.03 0.00 0.00 179.24 178.87 2k0f n GLY 130 N 0.66 0.79 3.19 7.15 0.00 -1.26 -5.07 105.19 110.64 2k0f n GLY 130 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.87 1.55 -0.18 1.61 1.11 -1.26 -4.60 119.66 117.01 2k0f s GLN 131 Ca 0.00 -0.67 -0.19 0.00 0.01 0.00 0.00 55.36 54.51 2k0f s GLN 131 Cb 0.00 -1.48 -0.03 0.00 -1.01 0.00 0.00 33.01 30.48 2k0f s GLN 131 CO 0.00 0.40 0.54 0.08 0.01 0.00 0.00 175.29 176.32 2k0f s VAL 132 N -0.42 5.10 0.06 1.09 1.01 -0.13 -4.73 120.40 122.39 2k0f s VAL 132 Ca 0.07 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.07 2k0f s VAL 132 Cb -0.07 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2k0f s VAL 132 CO -0.01 0.19 0.09 -0.46 0.00 0.00 0.00 175.10 174.91 2k0f n ASN 133 N 4.64 0.29 -0.09 3.32 0.23 -1.26 -1.57 115.26 120.83 2k0f n ASN 133 Ca -0.04 -1.17 -0.08 0.00 -0.53 0.00 0.00 54.58 52.75 2k0f n ASN 133 Cb 0.50 -0.04 -0.01 0.00 -2.08 0.00 0.00 39.78 38.15 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 0.04 0.35 -0.31 -2.53 3.20 -1.96 -3.11 116.97 112.65 2k0f h TYR 134 Ca -0.03 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2k0f h TYR 134 Cb 0.14 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2k0f h TYR 134 CO 0.00 0.21 -0.17 0.93 -1.64 0.00 0.00 178.16 177.49 2k0f h GLU 135 N 0.38 0.67 -0.22 1.82 3.07 -1.94 -2.72 114.58 115.64 2k0f h GLU 135 Ca 0.12 -0.30 0.06 0.00 -0.50 0.00 0.00 59.36 58.74 2k0f h GLU 135 Cb -0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2k0f h GLU 135 CO -0.05 0.89 0.18 0.93 -1.40 0.00 0.00 179.01 179.56 2k0f h GLU 136 N 0.43 0.00 -0.17 2.33 5.08 -1.92 -2.16 114.58 118.17 2k0f h GLU 136 Ca 0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 136 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2k0f h GLU 136 CO 0.05 0.00 -0.44 0.35 -1.00 0.00 0.00 179.01 177.97 2k0f h PHE 137 N 0.00 0.76 -0.50 4.33 3.57 -1.42 -2.84 116.94 120.85 2k0f h PHE 137 Ca 0.10 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.27 2k0f h PHE 137 Cb 0.45 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2k0f h PHE 137 CO 0.00 1.06 0.16 0.28 -2.23 0.00 0.00 178.31 177.58 2k0f h VAL 138 N 0.25 1.23 0.00 1.41 2.07 -1.23 -2.66 116.25 117.32 2k0f h VAL 138 Ca -0.01 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2k0f h VAL 138 Cb 1.06 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2k0f h VAL 138 CO 0.10 0.28 0.00 1.56 0.02 0.00 0.00 177.57 179.53 2k0f h GLN 139 N 0.67 0.00 0.78 1.57 4.20 -1.55 -0.83 115.11 119.95 2k0f h GLN 139 Ca 0.16 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 2k0f h GLN 139 Cb 0.27 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.06 2k0f h GLN 139 CO -0.01 0.00 -0.37 1.98 -0.67 0.00 0.00 178.83 179.76 2k0f h MET 140 N 0.00 -1.01 0.20 1.46 4.05 -1.22 -3.39 114.93 115.02 2k0f h MET 140 Ca 0.00 0.07 -0.26 0.00 -0.28 0.00 0.00 59.70 59.23 2k0f h MET 140 Cb 0.68 0.23 0.03 0.00 -0.80 0.00 0.00 31.60 31.74 2k0f h MET 140 CO 0.00 -0.65 -1.14 0.52 0.23 0.00 0.00 176.91 175.87 2k0f h MET 141 N -1.16 0.42 0.00 0.39 2.86 -1.40 -3.52 114.93 112.53 2k0f h MET 141 Ca -0.11 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.82 2k0f h MET 141 Cb 0.82 0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2k0f h MET 141 CO 0.18 1.34 0.00 0.25 1.06 0.00 0.00 176.91 179.74