#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 1.16 0.00 -0.78 3.07 -2.05 -1.43 114.58 114.55 2k0f h GLU 2 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2k0f h GLU 2 Cb 0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 27.65 2k0f h GLU 2 CO 0.00 0.77 0.00 0.93 -1.40 0.00 0.00 179.01 179.31 2k0f h GLU 3 N 1.19 0.00 0.00 2.33 4.39 -2.06 -1.29 114.58 119.14 2k0f h GLU 3 Ca 0.40 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.86 2k0f h GLU 3 Cb 0.07 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 2k0f h GLU 3 CO -0.14 0.00 -2.11 1.04 -1.16 0.00 0.00 179.01 176.65 2k0f n GLN 4 N -2.91 1.02 -0.03 2.33 6.02 -1.01 -3.68 117.38 119.13 2k0f n GLN 4 Ca 0.01 -0.05 0.03 0.00 -0.01 0.00 0.00 57.00 56.98 2k0f n GLN 4 Cb 0.30 -1.44 0.39 0.00 1.02 0.00 0.00 30.24 30.50 2k0f n GLN 4 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2k0f h ILE 5 N 0.00 1.13 0.00 5.09 1.08 -1.08 -3.17 117.51 120.56 2k0f h ILE 5 Ca -0.35 -0.28 -0.06 0.00 -0.39 0.00 0.00 64.86 63.77 2k0f h ILE 5 Cb 1.77 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 2k0f h ILE 5 CO 0.02 0.13 -0.28 0.00 -0.69 0.00 0.00 178.15 177.33 2k0f h ALA 6 N 1.69 0.84 -0.32 1.87 0.00 -1.35 -1.58 119.26 120.40 2k0f h ALA 6 Ca 0.16 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 6 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k0f h ALA 6 CO -0.03 0.35 -0.22 1.49 0.00 0.00 0.00 179.25 180.84 2k0f h GLU 7 N 0.00 0.71 0.15 0.00 4.81 -1.62 -2.36 114.58 116.27 2k0f h GLU 7 Ca -0.00 -0.34 -0.30 0.00 -0.13 0.00 0.00 59.36 58.59 2k0f h GLU 7 Cb 1.14 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2k0f h GLU 7 CO 0.04 0.95 -1.48 0.74 -0.73 0.00 0.00 179.01 178.52 2k0f h PHE 8 N 0.47 0.57 0.11 0.92 0.04 -1.60 -3.26 116.94 114.18 2k0f h PHE 8 Ca 0.06 -0.41 0.02 0.00 2.80 0.00 0.00 57.97 60.44 2k0f h PHE 8 Cb 0.77 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.85 2k0f h PHE 8 CO 0.06 1.58 -0.45 -0.22 -0.60 0.00 0.00 178.31 178.69 2k0f h LYS 9 N -0.16 -0.65 0.00 1.51 1.63 -1.39 -1.08 116.57 116.44 2k0f h LYS 9 Ca -0.30 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 2k0f h LYS 9 Cb 1.88 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.66 2k0f h LYS 9 CO 0.11 -0.43 -0.03 0.93 -3.45 0.00 0.00 179.45 176.58 2k0f h GLU 10 N -0.67 0.00 -0.08 1.90 5.08 -1.60 0.34 114.58 119.55 2k0f h GLU 10 Ca 0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 2k0f h GLU 10 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2k0f h GLU 10 CO -0.26 0.00 -0.78 0.00 -1.00 0.00 0.00 179.01 176.97 2k0f h ALA 11 N 2.13 0.50 -0.01 3.43 0.00 -1.58 -0.94 119.26 122.78 2k0f h ALA 11 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 2k0f h ALA 11 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k0f h ALA 11 CO 0.00 0.76 -0.26 0.35 0.00 0.00 0.00 179.25 180.10 2k0f h PHE 12 N 0.31 0.28 0.00 0.00 3.57 -0.70 -3.24 116.94 117.17 2k0f h PHE 12 Ca -0.04 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.31 2k0f h PHE 12 Cb 1.37 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.08 2k0f h PHE 12 CO 0.05 0.93 0.21 1.03 -2.23 0.00 0.00 178.31 178.30 2k0f h SER 13 N -0.44 0.00 -0.33 0.41 0.87 -0.94 0.17 113.55 113.29 2k0f h SER 13 Ca -0.03 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.40 2k0f h SER 13 Cb 0.99 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2k0f h SER 13 CO 0.05 0.00 -0.29 0.25 -0.53 0.00 0.00 176.83 176.31 2k0f h LEU 14 N 0.00 0.88 0.00 2.23 5.85 -1.19 -3.36 115.31 119.72 2k0f h LEU 14 Ca 0.00 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.26 2k0f h LEU 14 Cb 0.42 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2k0f h LEU 14 CO 0.00 1.10 -0.59 -0.26 -0.34 0.00 0.00 178.44 178.35 2k0f h PHE 15 N 0.72 0.00 -1.90 1.25 0.04 -0.81 -3.44 116.94 112.79 2k0f h PHE 15 Ca 0.08 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.36 2k0f h PHE 15 Cb 0.84 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 2k0f h PHE 15 CO 0.05 1.11 1.45 0.34 -0.60 0.00 0.00 178.31 180.66 2k0f s ASP 16 N -6.44 5.02 -0.03 2.17 2.15 -0.44 -4.63 116.67 114.48 2k0f s ASP 16 Ca -0.22 0.71 0.00 0.00 0.43 0.00 0.00 52.55 53.46 2k0f s ASP 16 Cb 0.01 -2.52 -0.26 0.00 -0.30 0.00 0.00 42.92 39.85 2k0f s ASP 16 CO 0.58 -2.50 0.73 0.11 -0.17 0.00 0.00 175.17 173.92 2k0f h LYS 17 N 16.48 0.19 0.00 4.34 1.79 -1.86 -3.35 116.57 134.16 2k0f h LYS 17 Ca -0.26 -0.32 -0.10 0.00 -2.18 0.00 0.00 60.65 57.78 2k0f h LYS 17 Cb 1.20 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.96 2k0f h LYS 17 CO 1.18 0.99 -0.63 0.38 -1.08 0.00 0.00 179.45 180.29 2k0f h ASP 18 N 0.05 0.00 0.00 0.86 3.04 -1.93 -3.49 116.42 114.94 2k0f h ASP 18 Ca -0.28 -0.56 0.00 0.00 -3.24 0.00 0.00 57.03 52.95 2k0f h ASP 18 Cb 2.01 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.30 2k0f h ASP 18 CO 0.13 1.14 0.00 0.61 -2.04 0.00 0.00 179.24 179.08 2k0f n GLY 19 N 1.55 0.83 0.10 7.15 0.00 -1.26 -5.05 105.19 108.52 2k0f n GLY 19 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 1.27 0.00 1.61 5.75 -1.26 -4.99 116.55 118.93 2k0f n ASP 20 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 2k0f n ASP 20 Cb 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 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 1.73 1.25 3.66 6.12 0.00 -1.26 -5.12 105.19 111.57 2k0f n GLY 21 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.15 4.32 -0.28 2.61 -4.23 -1.26 -3.92 115.64 112.73 2k0f s THR 22 Ca 0.00 -0.23 -0.09 0.00 -1.18 0.00 0.00 61.69 60.19 2k0f s THR 22 Cb 0.00 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 2k0f s THR 22 CO 0.00 0.58 0.11 -0.63 -0.54 0.00 0.00 174.62 174.14 2k0f s ILE 23 N -0.60 4.53 0.52 2.99 1.01 -1.05 -4.86 121.20 123.73 2k0f s ILE 23 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 2k0f s ILE 23 Cb -0.12 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.17 2k0f s ILE 23 CO 0.02 0.23 0.76 0.42 0.00 0.00 0.00 174.94 176.37 2k0f s THR 24 N 1.63 3.49 0.57 2.92 -4.23 -1.26 -3.26 115.64 115.50 2k0f s THR 24 Ca 0.06 -0.44 0.30 0.00 -1.18 0.00 0.00 61.69 60.43 2k0f s THR 24 Cb -0.16 -3.32 0.43 0.00 1.34 0.00 0.00 72.50 70.79 2k0f s THR 24 CO 0.05 -0.25 1.82 0.71 -0.54 0.00 0.00 174.62 176.42 2k0f h THR 25 N 0.15 0.37 0.00 3.99 1.35 -1.94 -1.73 112.91 115.11 2k0f h THR 25 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2k0f h THR 25 Cb 1.27 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2k0f h THR 25 CO 0.57 0.00 -0.65 0.11 -0.25 0.00 0.00 175.52 175.29 2k0f h LYS 26 N 0.00 0.00 0.00 4.72 1.57 -1.98 -2.17 116.57 118.71 2k0f h LYS 26 Ca 0.34 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.01 2k0f h LYS 26 Cb 1.63 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 2k0f h LYS 26 CO -0.00 0.00 -0.69 0.93 -0.57 0.00 0.00 179.45 179.12 2k0f h GLU 27 N 0.00 0.00 0.15 3.15 5.08 -1.68 -3.37 114.58 117.91 2k0f h GLU 27 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 27 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2k0f h GLU 27 CO 0.00 0.73 -0.07 1.25 -1.00 0.00 0.00 179.01 179.92 2k0f h LEU 28 N -1.00 -0.18 -1.18 1.33 5.85 -1.46 -2.75 115.31 115.92 2k0f h LEU 28 Ca -0.17 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 2k0f h LEU 28 Cb 0.96 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2k0f h LEU 28 CO -0.10 -0.13 -0.40 1.23 -0.34 0.00 0.00 178.44 178.71 2k0f h GLY 29 N -0.21 0.00 1.50 3.75 0.00 -1.62 -2.06 103.07 104.42 2k0f h GLY 29 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2k0f h GLY 29 CO 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.45 2k0f h THR 30 N 0.00 1.24 -0.42 4.70 1.03 -1.71 -2.11 112.91 115.64 2k0f h THR 30 Ca -0.00 -1.09 -0.10 0.00 -0.01 0.00 0.00 66.41 65.21 2k0f h THR 30 Cb 0.74 1.11 -0.02 0.00 -1.07 0.00 0.00 68.15 68.91 2k0f h THR 30 CO 0.05 0.36 -0.15 0.58 -0.01 0.00 0.00 175.52 176.35 2k0f h VAL 31 N 0.55 1.26 0.27 0.00 2.07 -1.08 -2.26 116.25 117.06 2k0f h VAL 31 Ca 0.10 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 2k0f h VAL 31 Cb 0.53 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2k0f h VAL 31 CO 0.03 0.42 -0.13 0.24 0.02 0.00 0.00 177.57 178.15 2k0f h MET 32 N 0.70 -0.34 0.00 1.57 2.86 -1.30 -2.78 114.93 115.64 2k0f h MET 32 Ca 0.11 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2k0f h MET 32 Cb 0.65 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 2k0f h MET 32 CO 0.05 -0.08 -0.25 0.00 1.06 0.00 0.00 176.91 177.69 2k0f h ARG 33 N -0.59 0.00 -0.37 1.72 3.08 -1.39 0.16 114.38 116.99 2k0f h ARG 33 Ca -0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 2k0f h ARG 33 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2k0f h ARG 33 CO 0.06 0.25 -0.39 0.77 -1.07 0.00 0.00 179.97 179.59 2k0f h SER 34 N 0.00 0.96 0.02 7.04 0.02 -1.43 -3.30 113.55 116.86 2k0f h SER 34 Ca -0.00 -0.44 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 2k0f h SER 34 Cb 0.59 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.86 2k0f h SER 34 CO 0.03 1.23 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.65 2k0f h LEU 35 N 0.74 0.18 0.00 5.07 3.38 -1.00 -3.45 115.31 120.23 2k0f h LEU 35 Ca 0.06 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.19 2k0f h LEU 35 Cb 0.97 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2k0f h LEU 35 CO 0.09 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.24 2k0f n GLY 36 N 1.23 -1.71 3.85 0.83 0.00 0.46 -5.03 105.19 104.83 2k0f n GLY 36 Ca -0.10 0.61 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.66 3.99 -0.67 1.61 -1.52 -1.19 -4.81 119.66 115.41 2k0f s GLN 37 Ca 0.00 0.59 0.02 0.00 -1.95 0.00 0.00 55.36 54.02 2k0f s GLN 37 Cb 0.00 -2.62 0.17 0.00 -0.22 0.00 0.00 33.01 30.34 2k0f s GLN 37 CO 0.00 0.27 0.47 1.21 -0.25 0.00 0.00 175.29 176.99 2k0f s ASN 38 N -2.12 4.99 1.20 5.90 3.84 -1.26 -3.39 114.94 124.10 2k0f s ASN 38 Ca 0.49 -3.35 -0.20 0.00 0.21 0.00 0.00 52.86 50.00 2k0f s ASN 38 Cb -0.12 -1.74 0.29 0.00 -0.55 0.00 0.00 41.25 39.13 2k0f s ASN 38 CO 0.19 -0.21 1.15 -2.16 -2.79 0.00 0.00 177.10 173.28 2k0f s PRO 39 N -0.77 -1.24 0.55 0.43 0.04 -1.26 -5.08 135.00 127.66 2k0f s PRO 39 Ca 0.21 -0.23 0.09 0.00 0.04 0.00 0.00 61.00 61.11 2k0f s PRO 39 Cb -0.15 -1.61 0.07 0.00 0.04 0.00 0.00 34.50 32.85 2k0f s PRO 39 CO -0.08 -3.70 0.76 0.95 0.04 0.00 0.00 177.00 174.97 2k0f s THR 40 N -3.16 2.33 0.01 1.26 -4.23 -1.26 -5.04 115.64 105.54 2k0f s THR 40 Ca 0.73 -0.97 -0.09 0.00 -1.18 0.00 0.00 61.69 60.17 2k0f s THR 40 Cb -0.07 -2.35 -0.31 0.00 1.34 0.00 0.00 72.50 71.11 2k0f s THR 40 CO 0.55 0.00 0.88 -0.33 -0.54 0.00 0.00 174.62 175.18 2k0f h GLU 41 N 0.23 0.38 -0.17 3.99 4.39 -1.98 -3.20 114.58 118.21 2k0f h GLU 41 Ca -0.32 -0.64 0.04 0.00 0.34 0.00 0.00 59.36 58.77 2k0f h GLU 41 Cb 1.29 0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 30.11 2k0f h GLU 41 CO 0.42 1.28 -0.52 0.00 -1.16 0.00 0.00 179.01 179.02 2k0f h ALA 42 N 0.30 -0.82 -0.05 3.43 0.00 -2.00 -1.71 119.26 118.42 2k0f h ALA 42 Ca -0.26 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k0f h ALA 42 Cb 2.08 0.99 -0.00 0.00 0.00 0.00 0.00 17.79 20.85 2k0f h ALA 42 CO 0.20 -1.06 0.07 1.05 0.00 0.00 0.00 179.25 179.52 2k0f h GLU 43 N -0.54 0.00 0.03 0.00 4.11 -1.99 -2.71 114.58 113.46 2k0f h GLU 43 Ca 0.05 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.19 2k0f h GLU 43 Cb 0.66 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 43 CO -0.46 0.00 -1.57 1.25 0.07 0.00 0.00 179.01 178.30 2k0f h LEU 44 N 0.00 0.08 -0.29 3.06 5.85 -1.40 -1.55 115.31 121.07 2k0f h LEU 44 Ca 0.02 -0.15 -0.17 0.00 0.84 0.00 0.00 57.88 58.42 2k0f h LEU 44 Cb 0.17 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2k0f h LEU 44 CO -0.00 1.13 -0.50 1.56 -0.34 0.00 0.00 178.44 180.29 2k0f h GLN 45 N 0.01 0.85 -0.48 1.25 4.20 -1.26 -2.45 115.11 117.23 2k0f h GLN 45 Ca -0.24 -0.53 -0.09 0.00 0.06 0.00 0.00 58.65 57.86 2k0f h GLN 45 Cb 1.97 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.79 2k0f h GLN 45 CO 0.10 1.16 -0.05 -0.44 -0.67 0.00 0.00 178.83 178.93 2k0f h ASP 46 N 0.63 0.82 0.12 1.46 3.32 -1.46 -1.95 116.42 119.35 2k0f h ASP 46 Ca 0.02 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.85 2k0f h ASP 46 Cb 1.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2k0f h ASP 46 CO 0.11 0.91 -0.13 -0.03 -1.72 0.00 0.00 179.24 178.39 2k0f h MET 47 N 0.77 -0.27 0.43 3.56 4.05 -1.29 -1.87 114.93 120.31 2k0f h MET 47 Ca 0.14 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 2k0f h MET 47 Cb 0.54 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 2k0f h MET 47 CO 0.03 -0.18 -0.21 0.82 0.23 0.00 0.00 176.91 177.60 2k0f h ILE 48 N -0.28 0.58 -0.84 1.77 2.04 -1.45 -3.26 117.51 116.07 2k0f h ILE 48 Ca 0.01 -0.08 0.13 0.00 1.00 0.00 0.00 64.86 65.92 2k0f h ILE 48 Cb 0.27 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2k0f h ILE 48 CO -0.04 0.02 0.55 -1.13 0.00 0.00 0.00 178.15 177.54 2k0f h ASN 49 N -0.62 0.60 -0.77 1.72 -1.24 -1.33 -1.19 115.58 112.74 2k0f h ASN 49 Ca -0.06 0.03 0.17 0.00 0.71 0.00 0.00 56.30 57.15 2k0f h ASN 49 Cb 0.47 -0.09 -0.14 0.00 0.73 0.00 0.00 38.32 39.29 2k0f h ASN 49 CO 0.10 0.32 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.39 2k0f h GLU 50 N 0.64 0.05 0.00 6.67 4.57 -1.37 -2.78 114.58 122.36 2k0f h GLU 50 Ca 0.41 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 2k0f h GLU 50 Cb 0.69 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 2k0f h GLU 50 CO -0.17 0.03 -0.93 1.33 -1.18 0.00 0.00 179.01 178.09 2k0f n VAL 51 N -5.43 0.29 -1.92 0.32 0.24 -0.55 -4.89 118.33 106.40 2k0f n VAL 51 Ca 0.13 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 2k0f n VAL 51 Cb 0.45 0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 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 -4.26 6.36 -0.25 -1.34 -1.08 -0.60 -4.91 116.67 110.59 2k0f s ASP 52 Ca 0.03 2.07 -0.16 0.00 -0.52 0.00 0.00 52.55 53.98 2k0f s ASP 52 Cb 0.13 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.94 2k0f s ASP 52 CO 0.78 -1.21 -0.23 0.00 0.52 0.00 0.00 175.17 175.03 2k0f n ALA 53 N 8.29 1.06 -0.11 3.66 0.00 -1.26 -4.50 120.51 127.63 2k0f n ALA 53 Ca 0.20 -0.93 -0.08 0.00 0.00 0.00 0.00 53.44 52.63 2k0f n ALA 53 Cb 0.44 -0.02 0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.00 0.85 0.00 0.00 3.04 -1.93 -3.48 116.42 113.91 2k0f h ASP 54 Ca -0.54 -0.30 0.00 0.00 -3.24 0.00 0.00 57.03 52.95 2k0f h ASP 54 Cb 1.45 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 2k0f h ASP 54 CO -0.33 1.03 0.00 0.61 -2.04 0.00 0.00 179.24 178.51 2k0f n GLY 55 N -0.25 1.30 0.00 7.15 0.00 -1.26 -4.98 105.19 107.14 2k0f n GLY 55 Ca 0.01 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.64 0.12 0.00 1.61 0.23 -1.26 -4.94 115.26 111.66 2k0f n ASN 56 Ca 0.00 0.32 0.00 0.00 -0.53 0.00 0.00 54.58 54.37 2k0f n ASN 56 Cb 0.12 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 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 1.50 0.91 3.37 4.83 0.00 -1.26 -5.09 105.19 109.44 2k0f n GLY 57 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 1.94 -0.28 2.61 -4.23 -1.26 -4.71 115.64 107.70 2k0f s THR 58 Ca 0.00 -2.12 -0.20 0.00 -1.18 0.00 0.00 61.69 58.19 2k0f s THR 58 Cb 0.00 -2.01 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 2k0f s THR 58 CO 0.00 -0.42 0.64 -0.51 -0.54 0.00 0.00 174.62 173.79 2k0f s ILE 59 N -2.43 4.95 0.57 2.99 2.07 -1.20 -4.71 121.20 123.45 2k0f s ILE 59 Ca 0.21 1.03 0.09 0.00 -1.41 0.00 0.00 60.65 60.57 2k0f s ILE 59 Cb -0.04 -3.97 0.08 0.00 0.13 0.00 0.00 42.46 38.66 2k0f s ILE 59 CO 0.08 -0.05 0.71 -1.81 -1.91 0.00 0.00 174.94 171.96 2k0f s ASP 60 N 1.54 4.98 0.10 4.50 1.11 -1.26 -2.53 116.67 125.11 2k0f s ASP 60 Ca 0.26 -0.96 -0.20 0.00 0.18 0.00 0.00 52.55 51.83 2k0f s ASP 60 Cb -0.15 0.36 -0.09 0.00 1.07 0.00 0.00 42.92 44.11 2k0f s ASP 60 CO 0.10 -1.31 1.67 0.15 1.18 0.00 0.00 175.17 176.96 2k0f h PHE 61 N 0.29 0.26 0.00 4.23 3.57 -1.97 -1.05 116.94 122.27 2k0f h PHE 61 Ca -0.31 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.18 2k0f h PHE 61 Cb 1.29 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2k0f h PHE 61 CO 0.57 0.27 0.00 -2.30 -2.23 0.00 0.00 178.31 174.62 2k0f n PRO 62 N -4.88 0.03 -0.09 6.41 -0.02 -1.26 -1.95 135.00 133.23 2k0f n PRO 62 Ca -0.04 0.31 -0.17 0.00 -2.02 0.00 0.00 63.50 61.58 2k0f n PRO 62 Cb 0.09 -1.56 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 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 0.00 -0.91 -0.52 5.08 -1.60 -2.44 114.58 114.19 2k0f h GLU 63 Ca 0.00 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 2k0f h GLU 63 Cb 0.23 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 63 CO 0.00 0.84 -0.05 0.35 -1.00 0.00 0.00 179.01 179.15 2k0f h PHE 64 N -1.00 -0.17 -0.96 4.33 3.57 -1.30 0.33 116.94 121.75 2k0f h PHE 64 Ca -0.22 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.37 2k0f h PHE 64 Cb 1.09 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 2k0f h PHE 64 CO 0.09 -0.37 0.63 -0.07 -2.23 0.00 0.00 178.31 176.36 2k0f h LEU 65 N 0.04 1.06 -0.55 0.59 3.38 -1.48 -1.24 115.31 117.10 2k0f h LEU 65 Ca 0.51 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.30 2k0f h LEU 65 Cb 0.94 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2k0f h LEU 65 CO -0.86 0.74 -0.59 0.74 0.09 0.00 0.00 178.44 178.56 2k0f h THR 66 N 1.23 1.35 -0.09 0.22 2.02 -0.45 -2.88 112.91 114.30 2k0f h THR 66 Ca 0.37 -1.88 -0.07 0.00 0.77 0.00 0.00 66.41 65.60 2k0f h THR 66 Cb -0.04 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2k0f h THR 66 CO -0.11 0.57 -0.23 -0.03 0.37 0.00 0.00 175.52 176.10 2k0f h MET 67 N 0.33 0.31 0.00 6.66 -1.53 -0.17 -2.47 114.93 118.06 2k0f h MET 67 Ca -0.00 -0.22 -0.02 0.00 -3.44 0.00 0.00 59.70 56.02 2k0f h MET 67 Cb 1.12 0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 32.20 2k0f h MET 67 CO 0.10 0.83 -0.12 0.52 0.14 0.00 0.00 176.91 178.38 2k0f h MET 68 N -0.15 0.00 -0.65 0.39 2.86 -1.32 -3.07 114.93 112.99 2k0f h MET 68 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 68 Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2k0f h MET 68 CO 0.05 0.08 0.00 0.00 1.06 0.00 0.00 176.91 178.10 2k0f n ALA 69 N -2.12 3.24 -2.56 6.32 0.00 -1.09 -4.75 120.51 119.54 2k0f n ALA 69 Ca 0.03 -1.61 -0.42 0.00 0.00 0.00 0.00 53.44 51.44 2k0f n ALA 69 Cb 0.56 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.00 3.61 -0.02 0.00 3.52 -0.93 -5.00 118.95 118.13 2k0f s ARG 70 Ca 0.51 -0.04 0.01 0.00 -0.13 0.00 0.00 55.73 56.08 2k0f s ARG 70 Cb 0.34 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 2k0f s ARG 70 CO 0.23 -0.76 0.01 0.21 -0.81 0.00 0.00 175.30 174.18 2k0f s LYS 71 N 2.68 2.85 0.00 5.12 2.20 -1.26 -4.96 119.74 126.37 2k0f s LYS 71 Ca 0.23 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 2k0f s LYS 71 Cb -0.15 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 2k0f s LYS 71 CO 0.15 0.64 0.00 -1.33 -0.36 0.00 0.00 175.35 174.46 2k0f n MET 72 N 1.53 0.00 -2.40 4.03 2.81 -1.26 -5.12 117.12 116.71 2k0f n MET 72 Ca -0.15 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.49 2k0f n MET 72 Cb 0.53 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 33.14 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N 3.70 1.77 0.37 0.03 1.02 -1.26 -4.92 119.74 120.45 2k0f s LYS 73 Ca 0.00 -0.74 0.24 0.00 0.02 0.00 0.00 55.97 55.49 2k0f s LYS 73 Cb 0.00 -2.24 0.49 0.00 -0.52 0.00 0.00 37.83 35.56 2k0f s LYS 73 CO 0.00 -1.44 1.66 0.38 -0.92 0.00 0.00 175.35 175.03 2k0f h ASP 74 N -0.63 0.00 0.07 2.83 2.03 -2.00 -1.36 116.42 117.37 2k0f h ASP 74 Ca -0.40 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.89 2k0f h ASP 74 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 2k0f h ASP 74 CO 0.47 0.00 -0.03 0.71 -1.03 0.00 0.00 179.24 179.35 2k0f h THR 75 N 0.00 1.10 -0.59 1.15 1.35 -1.99 -1.01 112.91 112.92 2k0f h THR 75 Ca 0.00 -1.50 0.11 0.00 -0.55 0.00 0.00 66.41 64.48 2k0f h THR 75 Cb 0.92 1.94 -0.12 0.00 -1.73 0.00 0.00 68.15 69.17 2k0f h THR 75 CO 0.00 0.32 -0.24 0.44 -0.25 0.00 0.00 175.52 175.79 2k0f h ASP 76 N -0.88 -0.84 0.44 5.36 3.32 -1.96 -2.18 116.42 119.68 2k0f h ASP 76 Ca -0.01 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2k0f h ASP 76 Cb 0.60 0.47 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 2k0f h ASP 76 CO 0.02 -0.26 -0.07 0.28 -1.72 0.00 0.00 179.24 177.49 2k0f h SER 77 N -0.09 0.00 0.04 6.45 0.02 -1.18 -2.38 113.55 116.41 2k0f h SER 77 Ca 0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2k0f h SER 77 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2k0f h SER 77 CO -0.65 0.07 -0.02 -0.08 -1.14 0.00 0.00 176.83 175.01 2k0f h GLU 78 N 0.00 -0.05 -0.90 3.45 4.81 -1.13 -3.31 114.58 117.44 2k0f h GLU 78 Ca -0.00 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.47 2k0f h GLU 78 Cb 0.31 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 2k0f h GLU 78 CO 0.01 0.47 0.62 1.49 -0.73 0.00 0.00 179.01 180.88 2k0f h GLU 79 N -0.62 0.18 -0.95 1.92 4.81 -0.98 0.11 114.58 119.05 2k0f h GLU 79 Ca -0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 79 Cb 0.55 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 79 CO 0.01 0.12 0.62 1.49 -0.73 0.00 0.00 179.01 180.52 2k0f h GLU 80 N 0.19 1.19 -0.14 1.92 4.81 -1.53 -1.68 114.58 119.35 2k0f h GLU 80 Ca 0.45 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.53 2k0f h GLU 80 Cb 1.48 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 2k0f h GLU 80 CO -0.10 0.79 -0.24 0.82 -0.73 0.00 0.00 179.01 179.56 2k0f h ILE 81 N 1.23 1.36 -0.51 2.32 1.08 -0.92 -2.74 117.51 119.33 2k0f h ILE 81 Ca 0.37 -1.47 -0.03 0.00 -0.39 0.00 0.00 64.86 63.33 2k0f h ILE 81 Cb -0.04 1.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 2k0f h ILE 81 CO -0.11 0.44 0.19 0.03 -0.69 0.00 0.00 178.15 178.01 2k0f h ARG 82 N 0.02 0.75 0.00 2.37 3.08 -1.28 -2.34 114.38 116.97 2k0f h ARG 82 Ca 0.01 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 2k0f h ARG 82 Cb 0.81 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 2k0f h ARG 82 CO 0.05 0.63 -0.69 0.93 -1.07 0.00 0.00 179.97 179.82 2k0f h GLU 83 N 0.74 0.00 -0.71 0.04 4.39 -1.35 -2.46 114.58 115.23 2k0f h GLU 83 Ca 0.17 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 2k0f h GLU 83 Cb 0.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2k0f h GLU 83 CO -0.01 0.69 0.17 0.00 -1.16 0.00 0.00 179.01 178.70 2k0f h ALA 84 N 1.31 0.97 -0.05 3.43 0.00 -1.11 -2.74 119.26 121.07 2k0f h ALA 84 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2k0f h ALA 84 Cb 1.22 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k0f h ALA 84 CO 0.09 0.66 -0.02 0.35 0.00 0.00 0.00 179.25 180.33 2k0f h PHE 85 N 1.07 0.07 0.00 0.00 3.04 -1.19 -1.47 116.94 118.46 2k0f h PHE 85 Ca 0.22 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.17 2k0f h PHE 85 Cb 0.37 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.85 2k0f h PHE 85 CO 0.03 0.10 0.00 0.00 -2.02 0.00 0.00 178.31 176.42 2k0f h ARG 86 N 0.08 0.00 -0.03 1.11 3.08 -1.15 -0.26 114.38 117.21 2k0f h ARG 86 Ca 0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.85 2k0f h ARG 86 Cb 0.09 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.16 2k0f h ARG 86 CO 0.00 0.00 -0.84 0.28 -1.07 0.00 0.00 179.97 178.34 2k0f h VAL 87 N 0.00 1.33 0.29 2.04 2.07 -1.11 -3.37 116.25 117.50 2k0f h VAL 87 Ca 0.00 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 2k0f h VAL 87 Cb 0.64 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2k0f h VAL 87 CO 0.00 0.65 -0.14 -0.26 0.02 0.00 0.00 177.57 177.84 2k0f h PHE 88 N 0.25 -0.36 -3.54 1.57 0.04 -1.44 -3.45 116.94 110.00 2k0f h PHE 88 Ca -0.10 -0.01 -0.52 0.00 2.80 0.00 0.00 57.97 60.14 2k0f h PHE 88 Cb 1.51 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.75 2k0f h PHE 88 CO 0.11 -0.23 0.31 0.34 -0.60 0.00 0.00 178.31 178.24 2k0f s ASP 89 N -3.23 7.43 -0.19 2.17 2.15 -0.11 -4.67 116.67 120.21 2k0f s ASP 89 Ca -0.06 1.71 -0.19 0.00 0.43 0.00 0.00 52.55 54.45 2k0f s ASP 89 Cb 0.01 -2.56 -0.15 0.00 -0.30 0.00 0.00 42.92 39.91 2k0f s ASP 89 CO 0.17 -0.03 0.13 0.50 -0.17 0.00 0.00 175.17 175.77 2k0f h LYS 90 N 5.51 0.00 -0.17 4.34 1.63 -1.87 -3.41 116.57 122.59 2k0f h LYS 90 Ca -0.43 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.30 2k0f h LYS 90 Cb 1.21 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2k0f h LYS 90 CO 0.71 0.77 -0.16 0.38 -3.45 0.00 0.00 179.45 177.71 2k0f h ASP 91 N -1.00 0.43 0.00 4.20 3.04 -1.97 -3.49 116.42 117.63 2k0f h ASP 91 Ca -0.27 -0.47 0.00 0.00 -3.24 0.00 0.00 57.03 53.05 2k0f h ASP 91 Cb 1.11 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.28 2k0f h ASP 91 CO -0.16 0.81 0.00 0.61 -2.04 0.00 0.00 179.24 178.46 2k0f n GLY 92 N 0.17 1.82 0.06 7.15 0.00 -1.26 -5.04 105.19 108.08 2k0f n GLY 92 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.66 0.00 1.61 6.94 -1.26 -4.94 115.26 118.27 2k0f n ASN 93 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 2k0f n ASN 93 Cb 0.00 0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 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 1.32 0.72 2.80 4.83 0.00 -1.26 -5.03 105.19 108.57 2k0f n GLY 94 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 1.38 -0.11 1.61 2.02 -1.26 -3.97 117.35 115.02 2k0f s TYR 95 Ca 0.00 -1.04 -0.21 0.00 -0.37 0.00 0.00 57.07 55.45 2k0f s TYR 95 Cb 0.00 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 2k0f s TYR 95 CO 0.00 -0.63 0.60 0.42 -1.57 0.00 0.00 175.55 174.36 2k0f s ILE 96 N 1.74 5.10 0.52 2.71 1.01 0.18 -4.90 121.20 127.56 2k0f s ILE 96 Ca -0.02 1.20 0.09 0.00 0.00 0.00 0.00 60.65 61.92 2k0f s ILE 96 Cb -0.17 -3.93 0.06 0.00 0.01 0.00 0.00 42.46 38.43 2k0f s ILE 96 CO -0.07 0.26 0.70 -0.94 0.00 0.00 0.00 174.94 174.89 2k0f s SER 97 N 0.78 5.27 0.23 3.58 1.04 -1.26 -0.42 113.70 122.91 2k0f s SER 97 Ca 0.31 -0.72 0.16 0.00 0.48 0.00 0.00 55.95 56.18 2k0f s SER 97 Cb -0.16 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 65.96 2k0f s SER 97 CO 0.14 -1.13 1.31 0.00 0.98 0.00 0.00 173.24 174.53 2k0f h ALA 98 N 0.36 0.67 -0.56 5.32 0.00 -1.98 -1.08 119.26 121.98 2k0f h ALA 98 Ca -0.33 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 53.99 2k0f h ALA 98 Cb 1.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2k0f h ALA 98 CO 0.43 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.45 2k0f h ALA 99 N 1.50 0.74 0.25 0.00 0.00 -1.97 0.11 119.26 119.89 2k0f h ALA 99 Ca -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k0f h ALA 99 Cb 1.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k0f h ALA 99 CO 0.06 0.48 -0.12 0.93 0.00 0.00 0.00 179.25 180.60 2k0f h GLU 100 N 0.81 -0.32 -0.94 0.00 5.08 -1.87 -2.52 114.58 114.84 2k0f h GLU 100 Ca 0.17 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.71 2k0f h GLU 100 Cb 0.40 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 29.56 2k0f h GLU 100 CO 0.01 0.00 -0.34 -0.11 -1.00 0.00 0.00 179.01 177.57 2k0f n LEU 101 N -5.09 -0.56 -0.32 1.33 7.94 -0.43 -2.41 117.00 117.47 2k0f n LEU 101 Ca -0.09 1.63 0.05 0.00 -1.11 0.00 0.00 56.01 56.48 2k0f n LEU 101 Cb 0.25 -0.40 0.24 0.00 0.53 0.00 0.00 43.42 44.04 2k0f n LEU 101 CO 0.31 -1.48 1.25 0.03 -1.11 0.00 0.00 177.39 176.39 2k0f h ARG 102 N 0.00 1.01 -0.02 1.96 3.08 -0.66 -2.94 114.38 116.80 2k0f h ARG 102 Ca 0.35 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 2k0f h ARG 102 Cb 0.58 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2k0f h ARG 102 CO -0.94 0.67 -0.01 1.25 -1.07 0.00 0.00 179.97 179.87 2k0f h HIS 103 N 1.04 0.05 0.00 3.04 2.76 -1.09 -3.23 115.15 117.71 2k0f h HIS 103 Ca 0.41 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.56 2k0f h HIS 103 Cb 0.25 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 2k0f h HIS 103 CO -0.00 0.42 -0.04 -0.39 -1.30 0.00 0.00 177.93 176.63 2k0f h VAL 104 N -0.34 0.07 0.11 5.26 -1.51 -1.49 -3.07 116.25 115.29 2k0f h VAL 104 Ca 0.01 -0.99 -0.29 0.00 -1.23 0.00 0.00 66.70 64.19 2k0f h VAL 104 Cb 0.41 1.93 0.03 0.00 -2.13 0.00 0.00 31.29 31.53 2k0f h VAL 104 CO 0.00 0.04 -1.22 0.24 -1.23 0.00 0.00 177.57 175.40 2k0f h MET 105 N 0.00 0.63 -0.68 5.19 2.07 -1.58 -1.76 114.93 118.80 2k0f h MET 105 Ca -0.00 -0.83 0.15 0.00 -2.07 0.00 0.00 59.70 56.95 2k0f h MET 105 Cb 0.93 0.27 -0.12 0.00 -1.87 0.00 0.00 31.60 30.81 2k0f h MET 105 CO 0.00 1.38 -0.03 1.15 1.07 0.00 0.00 176.91 180.48 2k0f h THR 106 N 0.27 0.41 -0.06 2.22 2.02 -1.55 -0.67 112.91 115.55 2k0f h THR 106 Ca -0.18 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 2k0f h THR 106 Cb 1.89 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2k0f h THR 106 CO 0.23 0.02 -0.14 0.78 0.37 0.00 0.00 175.52 176.78 2k0f h ASN 107 N 0.09 0.23 -0.48 4.18 2.35 -1.54 -3.25 115.58 117.15 2k0f h ASN 107 Ca 0.36 -0.58 0.06 0.00 -0.55 0.00 0.00 56.30 55.58 2k0f h ASN 107 Cb 0.59 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 2k0f h ASN 107 CO -0.61 0.77 0.32 0.25 -1.65 0.00 0.00 177.43 176.51 2k0f h LEU 108 N -0.30 0.36 0.00 1.61 5.85 -1.08 -3.38 115.31 118.36 2k0f h LEU 108 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k0f h LEU 108 Cb 0.74 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2k0f h LEU 108 CO 0.03 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.98 2k0f n GLY 109 N -1.51 1.64 3.97 3.75 0.00 -0.42 -5.01 105.19 107.60 2k0f n GLY 109 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.02 3.34 -0.52 1.61 0.41 -0.39 -5.01 118.70 118.12 2k0f s GLU 110 Ca 0.00 -0.76 0.07 0.00 -0.41 0.00 0.00 54.97 53.87 2k0f s GLU 110 Cb 0.00 -2.83 0.30 0.00 -1.78 0.00 0.00 34.13 29.82 2k0f s GLU 110 CO 0.00 0.26 0.77 0.36 -0.49 0.00 0.00 175.26 176.15 2k0f n LYS 111 N -1.56 2.12 -2.73 1.61 2.85 -1.26 -3.94 118.16 115.25 2k0f n LYS 111 Ca -0.05 -4.22 -0.42 0.00 -1.05 0.00 0.00 58.31 52.57 2k0f n LYS 111 Cb 0.57 -1.95 -0.03 0.00 -0.65 0.00 0.00 35.03 32.97 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2k0f s LEU 112 N -2.55 4.35 0.00 -5.58 1.43 -1.26 -5.05 118.68 110.02 2k0f s LEU 112 Ca 0.42 1.62 -0.18 0.00 -1.03 0.00 0.00 54.13 54.96 2k0f s LEU 112 Cb 0.23 -3.54 0.27 0.00 0.03 0.00 0.00 46.19 43.18 2k0f s LEU 112 CO -0.08 -0.27 0.85 0.35 0.23 0.00 0.00 176.35 177.42 2k0f n THR 113 N 3.97 0.00 0.64 5.49 -2.24 -1.26 -4.72 114.28 116.16 2k0f n THR 113 Ca 0.06 -0.30 0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2k0f n THR 113 Cb 0.51 -1.10 0.27 0.00 -2.10 0.00 0.00 70.33 67.92 2k0f n THR 113 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k0f n ASP 114 N -4.73 0.69 -0.08 3.42 8.00 -1.26 -0.80 116.55 121.79 2k0f n ASP 114 Ca 0.12 0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.78 2k0f n ASP 114 Cb 0.48 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 2k0f n ASP 114 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2k0f h GLU 115 N 0.00 0.40 -0.30 -1.24 4.81 -2.00 -2.86 114.58 113.39 2k0f h GLU 115 Ca 0.00 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 2k0f h GLU 115 Cb 0.72 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 2k0f h GLU 115 CO 0.00 0.51 -0.32 0.93 -0.73 0.00 0.00 179.01 179.40 2k0f h GLU 116 N 0.22 0.75 -0.17 1.92 5.08 -1.80 -1.96 114.58 118.61 2k0f h GLU 116 Ca 0.08 -0.40 0.05 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 116 Cb 0.29 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 116 CO 0.00 1.02 -0.16 0.28 -1.00 0.00 0.00 179.01 179.16 2k0f h VAL 117 N 0.50 0.56 -0.67 3.13 2.07 -1.00 -2.83 116.25 118.02 2k0f h VAL 117 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2k0f h VAL 117 Cb 0.89 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2k0f h VAL 117 CO 0.08 0.00 0.41 -0.78 0.02 0.00 0.00 177.57 177.30 2k0f h ASP 118 N -0.18 0.80 0.00 0.57 1.82 -1.50 -2.14 116.42 115.78 2k0f h ASP 118 Ca 0.11 -0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.71 2k0f h ASP 118 Cb 0.34 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 2k0f h ASP 118 CO -0.28 0.61 -0.08 -0.08 -1.61 0.00 0.00 179.24 177.80 2k0f h GLU 119 N 0.91 -0.14 -0.06 0.28 4.57 -1.22 -1.15 114.58 117.77 2k0f h GLU 119 Ca 0.24 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.46 2k0f h GLU 119 Cb -0.04 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 2k0f h GLU 119 CO -0.05 -0.09 -0.47 0.52 -1.18 0.00 0.00 179.01 177.74 2k0f h MET 120 N -0.14 -0.56 -0.61 1.92 2.86 -1.38 -0.44 114.93 116.58 2k0f h MET 120 Ca 0.03 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.83 2k0f h MET 120 Cb 0.18 0.13 -0.09 0.00 0.06 0.00 0.00 31.60 31.87 2k0f h MET 120 CO -0.08 -0.37 0.08 0.82 1.06 0.00 0.00 176.91 178.42 2k0f h ILE 121 N -0.58 0.57 -0.71 -1.22 1.08 -1.08 0.12 117.51 115.69 2k0f h ILE 121 Ca 0.05 -0.07 -0.06 0.00 -0.39 0.00 0.00 64.86 64.39 2k0f h ILE 121 Cb 0.67 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 2k0f h ILE 121 CO -0.37 0.04 0.20 0.03 -0.69 0.00 0.00 178.15 177.35 2k0f h ARG 122 N 0.20 1.12 0.00 2.37 3.08 -0.91 0.35 114.38 120.58 2k0f h ARG 122 Ca 0.32 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2k0f h ARG 122 Cb 0.51 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2k0f h ARG 122 CO -0.46 0.97 -0.10 1.49 -1.07 0.00 0.00 179.97 180.79 2k0f h GLU 123 N 1.07 0.00 0.07 0.04 4.81 -0.68 -3.26 114.58 116.62 2k0f h GLU 123 Ca 0.23 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 123 Cb 0.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2k0f h GLU 123 CO -0.00 0.10 -1.09 0.00 -0.73 0.00 0.00 179.01 177.29 2k0f h ALA 124 N 1.90 0.15 -2.37 2.92 0.00 -0.20 -3.48 119.26 118.18 2k0f h ALA 124 Ca -0.00 -0.99 -0.55 0.00 0.00 0.00 0.00 54.91 53.37 2k0f h ALA 124 Cb 0.51 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2k0f h ALA 124 CO 0.01 0.63 0.56 0.34 0.00 0.00 0.00 179.25 180.79 2k0f s ASP 125 N -6.84 7.16 -0.23 0.00 2.15 0.12 -4.77 116.67 114.27 2k0f s ASP 125 Ca -0.22 1.78 -0.08 0.00 0.43 0.00 0.00 52.55 54.47 2k0f s ASP 125 Cb 0.03 -2.57 -0.11 0.00 -0.30 0.00 0.00 42.92 39.97 2k0f s ASP 125 CO 0.71 -0.46 -0.27 0.00 -0.17 0.00 0.00 175.17 174.99 2k0f n ILE 126 N 4.26 1.28 -0.01 4.11 0.13 -1.26 -4.73 119.36 123.13 2k0f n ILE 126 Ca 0.09 -0.37 -0.10 0.00 -1.10 0.00 0.00 62.75 61.27 2k0f n ILE 126 Cb 0.48 -1.66 0.05 0.00 -0.84 0.00 0.00 39.64 37.67 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 2k0f h ASP 127 N -0.59 0.68 0.00 9.51 3.04 -1.93 -3.47 116.42 123.66 2k0f h ASP 127 Ca -0.56 -0.35 0.00 0.00 -3.24 0.00 0.00 57.03 52.87 2k0f h ASP 127 Cb 1.59 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 39.69 2k0f h ASP 127 CO -0.28 1.07 0.00 0.61 -2.04 0.00 0.00 179.24 178.61 2k0f n GLY 128 N 0.22 0.28 0.08 7.15 0.00 -1.26 -5.06 105.19 106.61 2k0f n GLY 128 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 0.12 0.00 1.61 2.03 -1.95 -3.48 116.42 114.76 2k0f h ASP 129 Ca 0.00 -0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2k0f h ASP 129 Cb 0.00 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 2k0f h ASP 129 CO 0.00 1.15 0.00 0.61 -1.03 0.00 0.00 179.24 179.97 2k0f n GLY 130 N 1.52 0.79 3.43 7.15 0.00 -1.26 -5.07 105.19 111.75 2k0f n GLY 130 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.67 1.62 -0.22 1.61 -0.21 -1.26 -4.47 119.66 116.05 2k0f s GLN 131 Ca 0.00 -1.25 -0.16 0.00 0.02 0.00 0.00 55.36 53.97 2k0f s GLN 131 Cb 0.00 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 2k0f s GLN 131 CO 0.00 0.47 0.41 0.08 -2.12 0.00 0.00 175.29 174.14 2k0f s VAL 132 N -1.08 5.17 0.52 1.09 1.01 0.43 -4.74 120.40 122.81 2k0f s VAL 132 Ca 0.16 0.72 0.07 0.00 0.00 0.00 0.00 61.98 62.93 2k0f s VAL 132 Cb -0.10 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.62 2k0f s VAL 132 CO 0.08 0.21 0.72 -0.46 0.00 0.00 0.00 175.10 175.64 2k0f n ASN 133 N 4.80 1.75 -0.08 3.32 0.23 -1.26 -0.65 115.26 123.37 2k0f n ASN 133 Ca -0.08 -2.30 -0.13 0.00 -0.53 0.00 0.00 54.58 51.55 2k0f n ASN 133 Cb 0.51 -0.39 -0.08 0.00 -2.08 0.00 0.00 39.78 37.74 2k0f n ASN 133 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2k0f h TYR 134 N 0.00 -1.46 -0.10 -2.53 0.05 -1.99 -1.20 116.97 109.74 2k0f h TYR 134 Ca -0.24 0.07 -0.14 0.00 0.05 0.00 0.00 58.73 58.47 2k0f h TYR 134 Cb 1.08 0.68 -0.01 0.00 1.01 0.00 0.00 36.73 39.49 2k0f h TYR 134 CO 0.00 -0.49 -0.53 0.93 -1.05 0.00 0.00 178.16 177.02 2k0f h GLU 135 N -0.44 0.29 -0.37 4.88 5.08 -1.96 0.14 114.58 122.20 2k0f h GLU 135 Ca 0.08 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2k0f h GLU 135 Cb 0.62 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 135 CO -0.52 0.75 -0.15 0.93 -1.00 0.00 0.00 179.01 179.03 2k0f h GLU 136 N 0.23 0.75 -0.12 2.33 5.08 -1.87 -2.55 114.58 118.44 2k0f h GLU 136 Ca 0.01 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2k0f h GLU 136 Cb 1.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2k0f h GLU 136 CO 0.09 0.92 0.00 0.35 -1.00 0.00 0.00 179.01 179.37 2k0f h PHE 137 N 0.54 0.22 -0.14 4.33 3.04 -0.98 -2.80 116.94 121.16 2k0f h PHE 137 Ca 0.09 -0.04 -0.17 0.00 3.98 0.00 0.00 57.97 61.83 2k0f h PHE 137 Cb 0.68 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 2k0f h PHE 137 CO 0.06 0.44 -0.61 0.28 -2.02 0.00 0.00 178.31 176.46 2k0f h VAL 138 N -0.06 1.34 -0.16 1.41 2.07 -0.73 0.71 116.25 120.83 2k0f h VAL 138 Ca 0.03 -1.92 -0.05 0.00 0.82 0.00 0.00 66.70 65.59 2k0f h VAL 138 Cb 0.35 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2k0f h VAL 138 CO 0.01 0.59 -0.10 1.56 0.02 0.00 0.00 177.57 179.65 2k0f h GLN 139 N 0.35 0.35 -0.56 1.57 4.20 -1.58 -0.16 115.11 119.28 2k0f h GLN 139 Ca -0.01 -0.16 0.11 0.00 0.06 0.00 0.00 58.65 58.66 2k0f h GLN 139 Cb 1.16 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.83 2k0f h GLN 139 CO 0.11 0.68 -0.19 1.98 -0.67 0.00 0.00 178.83 180.73 2k0f h MET 140 N 0.01 -0.06 0.13 1.46 4.05 -1.38 -3.23 114.93 115.91 2k0f h MET 140 Ca 0.03 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2k0f h MET 140 Cb 0.58 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 2k0f h MET 140 CO 0.03 -0.04 -0.06 1.98 0.23 0.00 0.00 176.91 179.04 2k0f h MET 141 N -0.06 -0.17 0.00 0.39 1.85 -0.71 -3.51 114.93 112.71 2k0f h MET 141 Ca 0.26 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.36 2k0f h MET 141 Cb 0.46 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.53 2k0f h MET 141 CO -0.60 0.27 0.00 0.25 -0.40 0.00 0.00 176.91 176.43