#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 -2.44 -2.82 5.08 -2.06 -3.48 114.58 108.86 2k0f h GLU 2 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 2 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 2k0f h GLU 2 CO 0.00 0.00 -0.21 -1.83 -1.00 0.00 0.00 179.01 175.97 2k0f s GLU 3 N -1.14 0.48 -0.03 2.33 -1.05 -1.26 -5.11 118.70 112.93 2k0f s GLU 3 Ca -0.01 0.94 -0.10 0.00 -0.15 0.00 0.00 54.97 55.65 2k0f s GLU 3 Cb 0.00 0.05 -0.31 0.00 -0.44 0.00 0.00 34.13 33.44 2k0f s GLU 3 CO 0.01 -0.16 0.75 0.37 0.95 0.00 0.00 175.26 177.18 2k0f h GLN 4 N 7.15 0.38 -0.92 -4.83 5.75 -1.99 -3.14 115.11 117.50 2k0f h GLN 4 Ca -0.34 -0.66 -0.00 0.00 -0.15 0.00 0.00 58.65 57.50 2k0f h GLN 4 Cb 1.19 0.24 -0.04 0.00 1.07 0.00 0.00 27.48 29.94 2k0f h GLN 4 CO 0.25 1.29 0.56 0.82 -2.65 0.00 0.00 178.83 179.10 2k0f h ILE 5 N 0.10 1.25 0.13 2.39 1.08 -1.99 -1.25 117.51 119.22 2k0f h ILE 5 Ca -0.31 -0.54 0.01 0.00 -0.39 0.00 0.00 64.86 63.63 2k0f h ILE 5 Cb 2.09 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 2k0f h ILE 5 CO 0.19 0.26 -0.19 0.00 -0.69 0.00 0.00 178.15 177.72 2k0f h ALA 6 N 1.31 -0.34 -0.86 1.87 0.00 -2.00 -0.19 119.26 119.05 2k0f h ALA 6 Ca 0.33 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2k0f h ALA 6 Cb -0.06 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2k0f h ALA 6 CO -0.06 -0.72 0.53 1.49 0.00 0.00 0.00 179.25 180.48 2k0f h GLU 7 N -0.38 0.92 -0.33 0.00 4.81 -1.42 -2.66 114.58 115.53 2k0f h GLU 7 Ca 0.02 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 2k0f h GLU 7 Cb 0.38 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 2k0f h GLU 7 CO -0.09 0.61 -0.37 0.74 -0.73 0.00 0.00 179.01 179.17 2k0f h PHE 8 N 0.94 1.01 0.20 0.92 0.04 -0.88 -3.07 116.94 116.10 2k0f h PHE 8 Ca 0.39 -0.31 0.01 0.00 2.80 0.00 0.00 57.97 60.85 2k0f h PHE 8 Cb 0.22 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 2k0f h PHE 8 CO -0.04 1.11 -0.27 -0.22 -0.60 0.00 0.00 178.31 178.30 2k0f h LYS 9 N 0.62 -0.51 -1.00 1.51 1.63 -0.73 -0.86 116.57 117.23 2k0f h LYS 9 Ca 0.05 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.00 2k0f h LYS 9 Cb 0.96 0.12 -0.08 0.00 -0.60 0.00 0.00 32.23 32.62 2k0f h LYS 9 CO 0.09 -0.34 0.63 0.93 -3.45 0.00 0.00 179.45 177.32 2k0f h GLU 10 N -0.53 0.98 -0.27 1.90 5.08 -1.59 -0.22 114.58 119.94 2k0f h GLU 10 Ca 0.01 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 2k0f h GLU 10 Cb 0.51 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 10 CO -0.10 0.65 -0.40 0.00 -1.00 0.00 0.00 179.01 178.16 2k0f h ALA 11 N 1.53 0.80 -0.22 3.43 0.00 -1.29 -2.00 119.26 121.50 2k0f h ALA 11 Ca 0.49 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 11 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 11 CO -0.25 0.65 -0.55 0.35 0.00 0.00 0.00 179.25 179.45 2k0f h PHE 12 N 0.52 0.98 0.00 0.00 3.57 -0.86 -3.24 116.94 117.91 2k0f h PHE 12 Ca 0.04 -0.37 -0.03 0.00 3.53 0.00 0.00 57.97 61.14 2k0f h PHE 12 Cb 0.92 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 2k0f h PHE 12 CO 0.04 1.18 -0.16 0.77 -2.23 0.00 0.00 178.31 177.91 2k0f h SER 13 N 0.50 0.00 0.46 0.41 0.02 -0.73 -3.36 113.55 110.84 2k0f h SER 13 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2k0f h SER 13 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2k0f h SER 13 CO 0.12 0.16 -0.22 0.25 -1.14 0.00 0.00 176.83 176.00 2k0f h LEU 14 N 0.00 -0.52 -1.87 5.07 5.85 -1.39 -3.02 115.31 119.42 2k0f h LEU 14 Ca -0.00 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.84 2k0f h LEU 14 Cb 0.33 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2k0f h LEU 14 CO 0.02 -0.36 0.31 -0.26 -0.34 0.00 0.00 178.44 177.82 2k0f h PHE 15 N -0.64 0.15 -2.93 1.25 0.04 -1.73 -3.44 116.94 109.63 2k0f h PHE 15 Ca -0.06 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.18 2k0f h PHE 15 Cb 0.47 -0.05 0.02 0.00 2.20 0.00 0.00 35.95 38.60 2k0f h PHE 15 CO 0.11 0.07 0.79 0.34 -0.60 0.00 0.00 178.31 179.02 2k0f s ASP 16 N -6.39 6.77 0.00 2.17 -1.08 -1.14 -4.83 116.67 112.16 2k0f s ASP 16 Ca -0.06 2.36 0.23 0.00 -0.52 0.00 0.00 52.55 54.56 2k0f s ASP 16 Cb 0.19 -2.58 0.06 0.00 -1.46 0.00 0.00 42.92 39.12 2k0f s ASP 16 CO 0.73 -0.71 1.13 0.29 0.52 0.00 0.00 175.17 177.12 2k0f n LYS 17 N 4.29 1.13 -0.10 4.34 4.76 -1.26 -4.52 118.16 126.80 2k0f n LYS 17 Ca 0.12 -0.91 -0.22 0.00 -2.87 0.00 0.00 58.31 54.43 2k0f n LYS 17 Cb 0.42 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 32.05 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -0.14 1.50 -1.07 4.39 8.00 -1.26 -5.06 116.55 122.91 2k0f n ASP 18 Ca 0.09 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2k0f n ASP 18 Cb 0.45 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.69 0.80 0.00 0.44 0.00 -1.26 -5.12 105.19 101.74 2k0f n GLY 19 Ca -0.40 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.07 0.00 0.00 1.61 5.75 -1.26 -5.07 116.55 116.51 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 20 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 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 5.00 0.12 2.98 6.12 0.00 -1.26 -5.07 105.19 113.08 2k0f n GLY 21 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.42 0.00 -0.55 2.61 -4.23 -1.26 -4.30 115.64 107.49 2k0f s THR 22 Ca 0.00 -0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.27 2k0f s THR 22 Cb 0.00 -0.15 0.05 0.00 1.34 0.00 0.00 72.50 73.74 2k0f s THR 22 CO 0.00 -0.01 0.83 -0.63 -0.54 0.00 0.00 174.62 174.27 2k0f s ILE 23 N 0.01 4.56 0.96 2.99 -1.09 -0.82 -4.94 121.20 122.86 2k0f s ILE 23 Ca -0.00 -0.11 -0.13 0.00 -2.23 0.00 0.00 60.65 58.18 2k0f s ILE 23 Cb -0.01 -4.48 0.17 0.00 -1.58 0.00 0.00 42.46 36.56 2k0f s ILE 23 CO 0.00 -1.06 1.13 0.42 -1.23 0.00 0.00 174.94 174.20 2k0f s THR 24 N 3.48 1.98 0.03 2.92 -4.23 -1.26 -2.63 115.64 115.94 2k0f s THR 24 Ca 0.23 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.01 2k0f s THR 24 Cb -0.16 -2.66 0.30 0.00 1.34 0.00 0.00 72.50 71.32 2k0f s THR 24 CO 0.15 0.00 1.84 0.71 -0.54 0.00 0.00 174.62 176.78 2k0f h THR 25 N -1.70 0.30 0.05 3.99 1.35 -1.98 -2.47 112.91 112.46 2k0f h THR 25 Ca -0.52 -0.94 -0.22 0.00 -0.55 0.00 0.00 66.41 64.18 2k0f h THR 25 Cb 1.33 1.74 0.02 0.00 -1.73 0.00 0.00 68.15 69.51 2k0f h THR 25 CO 0.59 0.13 -0.87 0.50 -0.25 0.00 0.00 175.52 175.61 2k0f h LYS 26 N 0.00 0.51 -0.50 4.72 3.64 -1.98 -2.43 116.57 120.53 2k0f h LYS 26 Ca -0.00 -0.61 0.10 0.00 -1.27 0.00 0.00 60.65 58.87 2k0f h LYS 26 Cb 0.73 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 2k0f h LYS 26 CO 0.02 1.24 0.34 0.93 -2.27 0.00 0.00 179.45 179.70 2k0f h GLU 27 N 0.05 0.23 0.18 1.90 5.08 -1.87 0.73 114.58 120.88 2k0f h GLU 27 Ca -0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 27 Cb 1.58 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2k0f h GLU 27 CO 0.17 0.15 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.18 2k0f h LEU 28 N 0.24 -0.20 -0.96 1.33 3.38 -1.50 -3.07 115.31 114.52 2k0f h LEU 28 Ca 0.23 -0.30 0.27 0.00 0.09 0.00 0.00 57.88 58.17 2k0f h LEU 28 Cb 0.60 0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.23 2k0f h LEU 28 CO -0.04 0.35 0.04 0.61 0.09 0.00 0.00 178.44 179.48 2k0f n GLY 29 N 0.71 -1.29 0.23 0.83 0.00 -0.63 -1.13 105.19 103.91 2k0f n GLY 29 Ca -0.07 0.94 -0.05 0.00 0.00 0.00 0.00 46.02 46.84 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 1.06 -0.01 2.61 2.02 -0.89 0.32 112.91 118.03 2k0f h THR 30 Ca 0.59 -0.23 -0.20 0.00 0.77 0.00 0.00 66.41 67.34 2k0f h THR 30 Cb 1.23 0.32 0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2k0f h THR 30 CO -0.90 0.12 -0.77 0.58 0.37 0.00 0.00 175.52 174.93 2k0f h VAL 31 N 0.67 1.37 -0.17 3.16 2.07 -1.04 -3.16 116.25 119.16 2k0f h VAL 31 Ca 0.23 -2.13 -0.05 0.00 0.82 0.00 0.00 66.70 65.58 2k0f h VAL 31 Cb 0.03 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2k0f h VAL 31 CO -0.10 0.64 -0.07 0.24 0.02 0.00 0.00 177.57 178.29 2k0f h MET 32 N 0.11 0.34 -0.80 1.57 2.07 -0.93 -1.62 114.93 115.67 2k0f h MET 32 Ca -0.09 -0.15 0.09 0.00 -2.07 0.00 0.00 59.70 57.48 2k0f h MET 32 Cb 1.45 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 31.12 2k0f h MET 32 CO 0.15 0.65 0.52 -0.09 1.07 0.00 0.00 176.91 179.21 2k0f h ARG 33 N 0.03 0.73 0.07 1.72 2.43 -1.07 0.19 114.38 118.49 2k0f h ARG 33 Ca 0.04 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2k0f h ARG 33 Cb 0.54 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2k0f h ARG 33 CO 0.02 0.48 -0.47 0.77 -1.51 0.00 0.00 179.97 179.27 2k0f h SER 34 N 0.75 0.28 0.58 -3.80 0.02 -1.41 -3.29 113.55 106.68 2k0f h SER 34 Ca 0.36 -0.94 -0.21 0.00 -0.84 0.00 0.00 61.79 60.16 2k0f h SER 34 Cb 0.42 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 2k0f h SER 34 CO -0.14 1.21 -1.58 0.18 -1.14 0.00 0.00 176.83 175.36 2k0f n LEU 35 N -4.34 0.79 0.00 5.07 4.77 -0.65 -4.85 117.00 117.80 2k0f n LEU 35 Ca -0.12 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2k0f n LEU 35 Cb 0.67 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2k0f n LEU 35 CO 0.43 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2k0f n GLY 36 N 1.46 0.61 0.23 -0.72 0.00 0.68 -5.01 105.19 102.44 2k0f n GLY 36 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k0f n GLN 37 N 0.00 0.00 -3.65 1.61 7.27 -1.21 -4.93 117.38 116.48 2k0f n GLN 37 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 2k0f n GLN 37 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 2k0f n GLN 37 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2k0f s ASN 38 N 0.36 -1.05 0.84 1.69 2.47 -1.26 -4.31 114.94 113.68 2k0f s ASN 38 Ca 0.00 1.54 -0.12 0.00 0.42 0.00 0.00 52.86 54.70 2k0f s ASN 38 Cb 0.00 1.90 0.10 0.00 -1.45 0.00 0.00 41.25 41.80 2k0f s ASN 38 CO 0.00 -0.23 1.16 -2.16 -3.72 0.00 0.00 177.10 172.16 2k0f s PRO 39 N 2.36 1.73 0.45 0.43 0.04 -1.26 -5.00 135.00 133.74 2k0f s PRO 39 Ca -0.08 0.18 -0.20 0.00 0.04 0.00 0.00 61.00 60.94 2k0f s PRO 39 Cb -0.09 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2k0f s PRO 39 CO -0.19 -1.77 0.96 0.95 0.04 0.00 0.00 177.00 176.99 2k0f s THR 40 N -3.48 4.33 0.19 1.26 -4.23 -1.26 -4.98 115.64 107.47 2k0f s THR 40 Ca 0.62 1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 62.50 2k0f s THR 40 Cb -0.12 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 2k0f s THR 40 CO 0.50 -0.35 1.55 1.05 -0.54 0.00 0.00 174.62 176.83 2k0f h GLU 41 N 1.74 0.72 0.35 3.99 9.09 -1.98 -2.81 114.58 125.68 2k0f h GLU 41 Ca -0.49 -0.36 -0.00 0.00 0.05 0.00 0.00 59.36 58.56 2k0f h GLU 41 Cb 1.19 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.26 2k0f h GLU 41 CO 0.61 0.98 -0.52 0.00 0.05 0.00 0.00 179.01 180.12 2k0f h ALA 42 N 0.98 -1.10 0.00 1.06 0.00 -1.97 0.33 119.26 118.56 2k0f h ALA 42 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k0f h ALA 42 Cb 0.92 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2k0f h ALA 42 CO 0.08 -1.17 0.00 0.39 0.00 0.00 0.00 179.25 178.56 2k0f n GLU 43 N -5.51 0.11 0.08 0.00 -0.58 -1.25 -0.79 120.64 112.69 2k0f n GLU 43 Ca -0.11 0.12 -0.21 0.00 -0.42 0.00 0.00 57.16 56.54 2k0f n GLU 43 Cb 0.44 -1.64 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 2k0f n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k0f h LEU 44 N 0.00 0.87 -0.88 -4.62 5.85 -1.21 -3.03 115.31 112.29 2k0f h LEU 44 Ca 0.00 -0.78 -0.06 0.00 0.84 0.00 0.00 57.88 57.89 2k0f h LEU 44 Cb 0.57 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2k0f h LEU 44 CO 0.00 1.58 -0.26 -0.61 -0.34 0.00 0.00 178.44 178.81 2k0f h GLN 45 N 0.30 0.00 0.56 1.25 4.15 0.10 -2.22 115.11 119.25 2k0f h GLN 45 Ca -0.17 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.22 2k0f h GLN 45 Cb 1.87 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.56 2k0f h GLN 45 CO 0.23 0.26 -0.27 0.22 -1.93 0.00 0.00 178.83 177.35 2k0f h ASP 46 N 0.00 -0.63 -0.91 -0.69 1.82 -0.98 0.44 116.42 115.46 2k0f h ASP 46 Ca -0.00 0.02 0.26 0.00 -0.39 0.00 0.00 57.03 56.91 2k0f h ASP 46 Cb 0.87 0.16 -0.14 0.00 0.68 0.00 0.00 39.33 40.90 2k0f h ASP 46 CO 0.03 -0.39 0.33 -0.03 -1.61 0.00 0.00 179.24 177.58 2k0f h MET 47 N -0.88 0.25 -0.09 0.28 4.05 -1.46 -1.60 114.93 115.48 2k0f h MET 47 Ca -0.08 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2k0f h MET 47 Cb 0.57 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.31 2k0f h MET 47 CO 0.13 0.16 0.02 0.82 0.23 0.00 0.00 176.91 178.27 2k0f h ILE 48 N 0.25 1.20 0.00 1.77 1.08 -1.37 -3.29 117.51 117.16 2k0f h ILE 48 Ca 0.60 -0.62 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 2k0f h ILE 48 Cb 1.25 1.44 -0.00 0.00 -3.07 0.00 0.00 36.82 36.44 2k0f h ILE 48 CO -0.64 0.18 -0.10 -1.13 -0.69 0.00 0.00 178.15 175.77 2k0f h ASN 49 N -0.07 0.00 0.00 1.72 -1.24 0.84 0.50 115.58 117.33 2k0f h ASN 49 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2k0f h ASN 49 Cb 0.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2k0f h ASN 49 CO 0.00 0.10 0.00 1.21 -1.29 0.00 0.00 177.43 177.45 2k0f n GLU 50 N -3.91 0.00 0.08 6.67 0.00 -0.87 -3.77 120.64 118.85 2k0f n GLU 50 Ca -0.02 0.39 0.13 0.00 0.00 0.00 0.00 57.16 57.66 2k0f n GLU 50 Cb 0.19 -1.14 0.46 0.00 0.00 0.00 0.00 31.44 30.96 2k0f n GLU 50 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2k0f n VAL 51 N -1.23 0.50 -2.57 6.31 0.24 -1.14 -4.77 118.33 115.66 2k0f n VAL 51 Ca 0.00 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.34 61.74 2k0f n VAL 51 Cb 0.00 -0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 31.70 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 -4.07 7.03 -0.20 -1.34 2.15 0.15 -4.76 116.67 115.63 2k0f s ASP 52 Ca 0.11 1.47 -0.11 0.00 0.43 0.00 0.00 52.55 54.45 2k0f s ASP 52 Cb 0.13 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 52 CO 0.54 -0.72 -0.27 0.00 -0.17 0.00 0.00 175.17 174.55 2k0f n ALA 53 N 6.48 1.65 0.18 3.66 0.00 -1.26 -4.74 120.51 126.48 2k0f n ALA 53 Ca 0.13 -0.82 -0.14 0.00 0.00 0.00 0.00 53.44 52.61 2k0f n ALA 53 Cb 0.46 0.23 -0.07 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.74 -0.85 0.00 0.00 3.04 -1.95 -3.47 116.42 112.44 2k0f h ASP 54 Ca -0.51 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 2k0f h ASP 54 Cb 1.43 0.30 0.00 0.00 -1.04 0.00 0.00 39.33 40.02 2k0f h ASP 54 CO -0.31 -0.43 0.00 0.61 -2.04 0.00 0.00 179.24 177.07 2k0f n GLY 55 N -1.42 1.58 0.15 7.15 0.00 -1.26 -5.04 105.19 106.34 2k0f n GLY 55 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 0.74 0.00 1.61 7.08 -1.95 -3.48 115.58 119.58 2k0f h ASN 56 Ca 0.00 -0.75 0.00 0.00 -3.08 0.00 0.00 56.30 52.47 2k0f h ASN 56 Cb 0.00 -0.24 0.00 0.00 -2.08 0.00 0.00 38.32 36.00 2k0f h ASN 56 CO 0.00 1.57 0.00 0.61 -2.08 0.00 0.00 177.43 177.53 2k0f n GLY 57 N 1.53 0.88 3.22 9.14 0.00 -1.26 -5.08 105.19 113.62 2k0f n GLY 57 Ca -0.13 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 1.11 -0.42 2.61 -4.23 -1.26 -4.68 115.64 106.78 2k0f s THR 58 Ca 0.00 -1.79 -0.27 0.00 -1.18 0.00 0.00 61.69 58.45 2k0f s THR 58 Cb 0.00 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.31 2k0f s THR 58 CO 0.00 -0.58 1.01 -0.63 -0.54 0.00 0.00 174.62 173.88 2k0f s ILE 59 N -2.64 4.43 0.66 2.99 1.01 -1.08 -4.89 121.20 121.67 2k0f s ILE 59 Ca 0.10 1.14 -0.00 0.00 0.00 0.00 0.00 60.65 61.88 2k0f s ILE 59 Cb -0.02 -4.46 0.09 0.00 0.01 0.00 0.00 42.46 38.09 2k0f s ILE 59 CO 0.01 -0.76 0.92 -1.81 0.00 0.00 0.00 174.94 173.30 2k0f s ASP 60 N 2.14 4.69 -0.02 3.58 1.11 -1.26 -1.94 116.67 124.97 2k0f s ASP 60 Ca 0.42 -0.21 -0.22 0.00 0.18 0.00 0.00 52.55 52.72 2k0f s ASP 60 Cb -0.10 -0.35 -0.14 0.00 1.07 0.00 0.00 42.92 43.40 2k0f s ASP 60 CO 0.24 -1.61 0.98 0.15 1.18 0.00 0.00 175.17 176.12 2k0f h PHE 61 N -0.33 -0.46 0.00 4.23 3.57 -1.96 0.18 116.94 122.17 2k0f h PHE 61 Ca -0.39 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.28 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.17 2k0f h PHE 61 CO 0.03 -0.14 0.00 -0.35 -2.23 0.00 0.00 178.31 175.62 2k0f n PRO 62 N -5.13 0.28 0.08 6.41 -0.04 -1.26 -2.21 135.00 133.13 2k0f n PRO 62 Ca -0.09 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.26 2k0f n PRO 62 Cb 0.27 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.51 -0.74 0.54 5.08 -1.75 -3.14 114.58 115.07 2k0f h GLU 63 Ca 0.00 -0.72 0.13 0.00 -1.00 0.00 0.00 59.36 57.77 2k0f h GLU 63 Cb 0.15 0.24 -0.09 0.00 0.50 0.00 0.00 28.75 29.56 2k0f h GLU 63 CO 0.00 1.32 0.31 0.35 -1.00 0.00 0.00 179.01 179.98 2k0f h PHE 64 N 0.04 0.53 0.00 4.33 3.57 -0.18 -1.77 116.94 123.47 2k0f h PHE 64 Ca -0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2k0f h PHE 64 Cb 1.80 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.42 2k0f h PHE 64 CO 0.14 0.10 0.00 1.28 -2.23 0.00 0.00 178.31 177.60 2k0f n LEU 65 N -4.97 0.05 0.07 0.59 4.77 -1.10 -2.21 117.00 114.21 2k0f n LEU 65 Ca 0.13 0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 56.49 2k0f n LEU 65 Cb 0.38 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 2k0f n LEU 65 CO 0.20 -0.18 0.59 0.74 -1.33 0.00 0.00 177.39 177.40 2k0f h THR 66 N 0.00 0.99 0.00 -5.08 2.02 -1.27 -2.70 112.91 106.87 2k0f h THR 66 Ca 0.00 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 2k0f h THR 66 Cb 0.35 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2k0f h THR 66 CO 0.00 0.18 -0.13 0.00 0.37 0.00 0.00 175.52 175.94 2k0f h MET 67 N -0.61 0.00 0.01 6.66 -0.00 -1.52 -2.59 114.93 116.88 2k0f h MET 67 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.68 2k0f h MET 67 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 2k0f h MET 67 CO 0.03 0.10 -0.00 1.98 -0.00 0.00 0.00 176.91 179.02 2k0f h MET 68 N 0.00 -0.01 -0.01 -0.10 -1.53 -1.51 -3.41 114.93 108.36 2k0f h MET 68 Ca -0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2k0f h MET 68 Cb 1.08 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.13 2k0f h MET 68 CO 0.01 0.67 -0.20 0.00 0.14 0.00 0.00 176.91 177.54 2k0f n ALA 69 N -2.65 2.88 -1.86 0.39 0.00 -1.02 -4.91 120.51 113.35 2k0f n ALA 69 Ca -0.07 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 2k0f n ALA 69 Cb 0.33 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.64 4.56 0.17 0.00 3.52 -0.97 -5.01 118.95 119.58 2k0f s ARG 70 Ca 0.15 1.87 -0.30 0.00 -0.13 0.00 0.00 55.73 57.31 2k0f s ARG 70 Cb 0.13 -3.20 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 2k0f s ARG 70 CO 0.31 0.07 1.09 0.21 -0.81 0.00 0.00 175.30 176.18 2k0f s LYS 71 N -1.08 4.59 0.42 5.12 2.20 -1.26 -4.96 119.74 124.77 2k0f s LYS 71 Ca 0.48 1.70 -0.23 0.00 -0.36 0.00 0.00 55.97 57.56 2k0f s LYS 71 Cb -0.33 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 2k0f s LYS 71 CO 0.41 0.07 1.02 -1.64 -0.36 0.00 0.00 175.35 174.85 2k0f s MET 72 N -0.27 4.12 0.85 4.03 -1.94 -1.26 -5.08 119.30 119.75 2k0f s MET 72 Ca 0.50 1.41 -0.12 0.00 -1.71 0.00 0.00 55.69 55.77 2k0f s MET 72 Cb -0.29 -2.41 0.10 0.00 2.01 0.00 0.00 34.83 34.24 2k0f s MET 72 CO 0.34 -0.16 1.10 0.15 -0.01 0.00 0.00 175.02 176.44 2k0f s LYS 73 N -2.73 1.67 0.00 2.03 1.02 -1.26 -4.70 119.74 115.78 2k0f s LYS 73 Ca 0.60 0.66 0.00 0.00 0.02 0.00 0.00 55.97 57.25 2k0f s LYS 73 Cb -0.19 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 2k0f s LYS 73 CO 0.23 -1.91 0.73 -0.25 -0.92 0.00 0.00 175.35 173.23 2k0f n ASP 74 N -3.63 0.00 0.09 2.83 8.00 -1.26 -1.37 116.55 121.21 2k0f n ASP 74 Ca 0.07 0.73 -0.09 0.00 0.71 0.00 0.00 54.79 56.21 2k0f n ASP 74 Cb 0.56 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 2k0f n ASP 74 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2k0f h THR 75 N 0.00 1.53 -0.86 -3.53 2.02 -2.02 -3.32 112.91 106.73 2k0f h THR 75 Ca 0.00 -2.77 0.08 0.00 0.77 0.00 0.00 66.41 64.49 2k0f h THR 75 Cb 0.00 2.56 -0.07 0.00 -1.74 0.00 0.00 68.15 68.90 2k0f h THR 75 CO 0.00 0.80 0.52 0.44 0.37 0.00 0.00 175.52 177.65 2k0f h ASP 76 N 0.08 0.78 -0.07 4.18 3.32 -1.73 -2.44 116.42 120.54 2k0f h ASP 76 Ca -0.05 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.05 2k0f h ASP 76 Cb 1.57 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 2k0f h ASP 76 CO 0.14 0.47 -0.02 -1.28 -1.72 0.00 0.00 179.24 176.83 2k0f h SER 77 N 0.90 -0.07 -0.76 6.45 0.87 -1.32 0.19 113.55 119.82 2k0f h SER 77 Ca 0.40 0.02 0.15 0.00 -1.23 0.00 0.00 61.79 61.13 2k0f h SER 77 Cb 0.28 0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 62.18 2k0f h SER 77 CO -0.21 -0.02 0.27 -0.33 -0.53 0.00 0.00 176.83 176.01 2k0f h GLU 78 N 0.00 0.38 0.00 2.24 4.39 -1.67 -1.72 114.58 118.21 2k0f h GLU 78 Ca 0.03 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 78 Cb 0.05 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2k0f h GLU 78 CO -0.07 0.25 -0.50 0.93 -1.16 0.00 0.00 179.01 178.45 2k0f h GLU 79 N 0.39 0.00 -0.38 2.33 4.39 -1.09 -0.93 114.58 119.30 2k0f h GLU 79 Ca 0.42 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.06 2k0f h GLU 79 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2k0f h GLU 79 CO -0.44 0.50 -0.03 0.93 -1.16 0.00 0.00 179.01 178.82 2k0f h GLU 80 N 0.00 0.69 -0.28 2.33 4.39 -0.27 -3.01 114.58 118.43 2k0f h GLU 80 Ca -0.01 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.36 2k0f h GLU 80 Cb 1.24 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2k0f h GLU 80 CO 0.07 0.80 -0.23 0.82 -1.16 0.00 0.00 179.01 179.31 2k0f h ILE 81 N 0.50 1.30 -0.97 3.13 2.04 -0.81 -2.99 117.51 119.71 2k0f h ILE 81 Ca 0.10 -1.38 0.14 0.00 1.00 0.00 0.00 64.86 64.73 2k0f h ILE 81 Cb 0.51 1.57 -0.09 0.00 -0.74 0.00 0.00 36.82 38.07 2k0f h ILE 81 CO 0.02 0.44 0.59 0.03 0.00 0.00 0.00 178.15 179.23 2k0f h ARG 82 N 0.38 0.86 0.00 2.37 3.08 -1.28 -2.12 114.38 117.67 2k0f h ARG 82 Ca 0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k0f h ARG 82 Cb 0.78 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2k0f h ARG 82 CO 0.06 0.57 -0.06 0.93 -1.07 0.00 0.00 179.97 180.39 2k0f h GLU 83 N 0.88 0.00 -0.21 0.04 4.39 -1.52 -2.74 114.58 115.43 2k0f h GLU 83 Ca 0.51 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.18 2k0f h GLU 83 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2k0f h GLU 83 CO -0.30 0.00 0.03 0.00 -1.16 0.00 0.00 179.01 177.58 2k0f h ALA 84 N 2.11 0.27 -0.79 3.43 0.00 -1.35 -3.20 119.26 119.73 2k0f h ALA 84 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2k0f h ALA 84 Cb 0.94 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2k0f h ALA 84 CO 0.00 -0.05 0.43 0.35 0.00 0.00 0.00 179.25 179.97 2k0f h PHE 85 N 0.14 1.08 -0.41 0.00 3.57 -1.38 -2.78 116.94 117.15 2k0f h PHE 85 Ca 0.06 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 85 Cb 0.32 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2k0f h PHE 85 CO 0.02 0.75 0.10 -0.09 -2.23 0.00 0.00 178.31 176.86 2k0f h ARG 86 N 1.10 0.61 -0.63 1.11 2.43 -1.55 0.52 114.38 117.97 2k0f h ARG 86 Ca 0.28 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2k0f h ARG 86 Cb 0.04 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2k0f h ARG 86 CO -0.04 0.56 0.42 0.28 -1.51 0.00 0.00 179.97 179.67 2k0f h VAL 87 N 0.60 1.08 0.18 0.20 2.07 -1.49 -3.33 116.25 115.56 2k0f h VAL 87 Ca 0.14 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2k0f h VAL 87 Cb 0.23 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2k0f h VAL 87 CO -0.00 0.13 -0.09 -0.26 0.02 0.00 0.00 177.57 177.37 2k0f h PHE 88 N 0.73 -0.23 -1.84 1.57 0.04 -1.16 -3.41 116.94 112.64 2k0f h PHE 88 Ca 0.25 -0.01 -0.49 0.00 2.80 0.00 0.00 57.97 60.53 2k0f h PHE 88 Cb 0.10 0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.27 2k0f h PHE 88 CO -0.00 -0.14 1.21 0.34 -0.60 0.00 0.00 178.31 179.11 2k0f s ASP 89 N -4.84 5.54 -0.04 2.17 2.15 0.03 -4.78 116.67 116.90 2k0f s ASP 89 Ca -0.04 -0.10 -0.21 0.00 0.43 0.00 0.00 52.55 52.63 2k0f s ASP 89 Cb 0.00 -2.54 -0.15 0.00 -0.30 0.00 0.00 42.92 39.93 2k0f s ASP 89 CO 0.11 -2.25 0.92 0.50 -0.17 0.00 0.00 175.17 174.28 2k0f h LYS 90 N 12.95 -0.28 0.08 4.34 3.64 -1.80 -3.40 116.57 132.11 2k0f h LYS 90 Ca -0.19 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2k0f h LYS 90 Cb 1.10 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2k0f h LYS 90 CO 1.25 0.10 -0.04 0.38 -2.27 0.00 0.00 179.45 178.87 2k0f h ASP 91 N -0.87 -0.09 0.00 4.20 2.03 -1.94 -3.49 116.42 116.25 2k0f h ASP 91 Ca -0.03 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 2k0f h ASP 91 Cb 0.51 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 2k0f h ASP 91 CO 0.05 0.46 0.00 0.61 -1.03 0.00 0.00 179.24 179.33 2k0f n GLY 92 N 1.42 0.20 0.53 7.15 0.00 -1.26 -5.07 105.19 108.16 2k0f n GLY 92 Ca -0.03 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 2.10 0.00 1.61 6.94 -1.26 -4.96 115.26 119.69 2k0f n ASN 93 Ca 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 54.58 53.01 2k0f n ASN 93 Cb 0.00 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 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 0.76 1.01 2.96 4.83 0.00 -1.26 -5.05 105.19 108.44 2k0f n GLY 94 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 0.31 -0.07 1.61 2.02 -1.26 -3.68 117.35 114.27 2k0f s TYR 95 Ca 0.00 -0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 56.24 2k0f s TYR 95 Cb 0.00 -0.20 -0.05 0.00 -0.40 0.00 0.00 41.96 41.31 2k0f s TYR 95 CO 0.00 -0.08 0.40 0.42 -1.57 0.00 0.00 175.55 174.72 2k0f s ILE 96 N -0.80 5.15 0.39 2.71 1.01 0.18 -4.49 121.20 125.35 2k0f s ILE 96 Ca -0.07 0.81 0.05 0.00 0.00 0.00 0.00 60.65 61.44 2k0f s ILE 96 Cb -0.06 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 2k0f s ILE 96 CO -0.00 0.45 0.56 -0.94 0.00 0.00 0.00 174.94 175.01 2k0f s SER 97 N -0.18 5.82 0.38 3.58 1.04 -1.26 -1.53 113.70 121.55 2k0f s SER 97 Ca 0.23 -0.13 0.16 0.00 0.48 0.00 0.00 55.95 56.69 2k0f s SER 97 Cb -0.15 -1.14 0.76 0.00 0.10 0.00 0.00 66.02 65.59 2k0f s SER 97 CO 0.10 -0.62 1.81 0.00 0.98 0.00 0.00 173.24 175.51 2k0f h ALA 98 N 0.67 1.21 0.14 5.32 0.00 -1.95 -1.61 119.26 123.03 2k0f h ALA 98 Ca -0.44 -0.34 -0.29 0.00 0.00 0.00 0.00 54.91 53.84 2k0f h ALA 98 Cb 1.26 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.02 2k0f h ALA 98 CO 0.52 0.46 -1.27 0.00 0.00 0.00 0.00 179.25 178.97 2k0f h ALA 99 N 1.63 0.03 -0.63 0.00 0.00 -1.99 -2.52 119.26 115.77 2k0f h ALA 99 Ca -0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 2k0f h ALA 99 Cb 0.74 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2k0f h ALA 99 CO 0.05 0.78 0.16 0.93 0.00 0.00 0.00 179.25 181.16 2k0f h GLU 100 N 0.19 1.00 -0.09 0.00 5.08 -1.89 -2.76 114.58 116.12 2k0f h GLU 100 Ca -0.18 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 2k0f h GLU 100 Cb 1.95 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 2k0f h GLU 100 CO 0.23 0.91 -0.26 1.25 -1.00 0.00 0.00 179.01 180.13 2k0f h LEU 101 N 0.92 0.15 -0.67 1.33 5.85 -1.09 -1.93 115.31 119.88 2k0f h LEU 101 Ca 0.20 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 2k0f h LEU 101 Cb 0.35 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2k0f h LEU 101 CO 0.00 0.42 -0.06 0.03 -0.34 0.00 0.00 178.44 178.49 2k0f h ARG 102 N 0.14 0.98 -0.76 1.25 3.08 -1.44 -1.90 114.38 115.72 2k0f h ARG 102 Ca 0.02 -0.33 0.08 0.00 0.07 0.00 0.00 59.98 59.83 2k0f h ARG 102 Cb 0.55 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 2k0f h ARG 102 CO 0.04 1.00 0.50 0.45 -1.07 0.00 0.00 179.97 180.89 2k0f h HIS 103 N 0.88 0.77 0.31 3.04 3.86 -1.07 -1.99 115.15 120.95 2k0f h HIS 103 Ca 0.15 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2k0f h HIS 103 Cb 0.60 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2k0f h HIS 103 CO 0.04 0.38 -0.15 0.28 0.86 0.00 0.00 177.93 179.34 2k0f h VAL 104 N 0.73 0.00 -0.89 2.45 2.07 -1.32 -3.37 116.25 115.92 2k0f h VAL 104 Ca 0.34 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.92 2k0f h VAL 104 Cb 0.37 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 2k0f h VAL 104 CO -0.12 0.00 0.53 0.24 0.02 0.00 0.00 177.57 178.23 2k0f h MET 105 N -0.46 0.84 -0.13 1.57 2.07 -0.76 -2.72 114.93 115.34 2k0f h MET 105 Ca -0.04 -0.05 -0.06 0.00 -2.07 0.00 0.00 59.70 57.48 2k0f h MET 105 Cb 0.32 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.85 2k0f h MET 105 CO 0.07 0.56 -0.18 0.00 1.07 0.00 0.00 176.91 178.42 2k0f h THR 106 N 0.87 1.20 0.00 2.22 1.03 -1.54 -0.42 112.91 116.27 2k0f h THR 106 Ca 0.43 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 2k0f h THR 106 Cb 0.40 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 2k0f h THR 106 CO -0.25 0.28 0.00 0.78 -0.01 0.00 0.00 175.52 176.32 2k0f h ASN 107 N 0.20 0.00 0.17 0.00 2.35 -1.65 -2.91 115.58 113.75 2k0f h ASN 107 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2k0f h ASN 107 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2k0f h ASN 107 CO 0.03 0.00 -0.09 0.18 -1.65 0.00 0.00 177.43 175.90 2k0f n LEU 108 N -3.03 0.80 -0.18 1.61 4.77 -0.17 -4.84 117.00 115.95 2k0f n LEU 108 Ca 0.01 -0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 55.78 2k0f n LEU 108 Cb 0.34 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2k0f n LEU 108 CO 0.28 0.14 -0.02 0.61 -1.33 0.00 0.00 177.39 177.07 2k0f n GLY 109 N 1.22 0.56 3.71 -0.72 0.00 -1.10 -4.73 105.19 104.14 2k0f n GLY 109 Ca 0.17 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.39 4.22 -0.00 1.61 0.41 -1.22 -5.07 118.70 117.26 2k0f s GLU 110 Ca 0.00 0.02 -0.19 0.00 -0.41 0.00 0.00 54.97 54.39 2k0f s GLU 110 Cb 0.00 -3.45 -0.06 0.00 -1.78 0.00 0.00 34.13 28.85 2k0f s GLU 110 CO 0.00 0.20 0.54 0.21 -0.49 0.00 0.00 175.26 175.72 2k0f s LYS 111 N 0.61 4.22 -0.02 1.61 2.47 -1.26 -4.53 119.74 122.84 2k0f s LYS 111 Ca 0.15 0.64 -0.12 0.00 -1.56 0.00 0.00 55.97 55.07 2k0f s LYS 111 Cb -0.13 -3.31 0.02 0.00 -1.46 0.00 0.00 37.83 32.95 2k0f s LYS 111 CO 0.03 0.46 0.27 -0.48 0.16 0.00 0.00 175.35 175.79 2k0f s LEU 112 N -0.45 1.03 0.89 5.43 2.34 -1.26 -5.18 118.68 121.49 2k0f s LEU 112 Ca 0.28 0.08 -0.12 0.00 0.06 0.00 0.00 54.13 54.43 2k0f s LEU 112 Cb -0.18 1.09 0.13 0.00 -0.56 0.00 0.00 46.19 46.67 2k0f s LEU 112 CO 0.16 -0.39 1.13 0.42 -1.06 0.00 0.00 176.35 176.61 2k0f s THR 113 N -1.16 2.17 0.43 5.48 -4.23 -1.26 -4.89 115.64 112.17 2k0f s THR 113 Ca -0.12 0.05 0.11 0.00 -1.18 0.00 0.00 61.69 60.56 2k0f s THR 113 Cb -0.05 -2.80 0.20 0.00 1.34 0.00 0.00 72.50 71.18 2k0f s THR 113 CO 0.03 -0.07 1.99 0.44 -0.54 0.00 0.00 174.62 176.47 2k0f h ASP 114 N -1.44 0.17 -0.42 3.99 3.32 -2.02 -1.81 116.42 118.21 2k0f h ASP 114 Ca -0.50 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.49 2k0f h ASP 114 Cb 1.32 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2k0f h ASP 114 CO 0.61 0.27 0.15 -0.08 -1.72 0.00 0.00 179.24 178.47 2k0f h GLU 115 N 0.18 0.70 0.20 3.56 4.57 -1.99 -2.42 114.58 119.39 2k0f h GLU 115 Ca 0.04 -0.12 -0.32 0.00 -1.18 0.00 0.00 59.36 57.79 2k0f h GLU 115 Cb 0.24 -0.12 0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2k0f h GLU 115 CO 0.01 0.61 -1.43 0.93 -1.18 0.00 0.00 179.01 177.96 2k0f h GLU 116 N 0.69 0.43 -0.41 1.92 5.08 -1.77 -1.79 114.58 118.73 2k0f h GLU 116 Ca 0.16 -0.73 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 2k0f h GLU 116 Cb 0.20 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2k0f h GLU 116 CO -0.01 1.34 0.12 0.28 -1.00 0.00 0.00 179.01 179.74 2k0f h VAL 117 N 0.12 1.22 -0.59 3.13 2.07 -1.17 -2.90 116.25 118.13 2k0f h VAL 117 Ca -0.22 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 66.61 2k0f h VAL 117 Cb 2.09 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.75 2k0f h VAL 117 CO 0.24 0.26 0.30 -0.78 0.02 0.00 0.00 177.57 177.61 2k0f h ASP 118 N 0.51 0.42 -0.97 0.57 1.82 -1.48 -2.13 116.42 115.16 2k0f h ASP 118 Ca 0.13 0.04 0.16 0.00 -0.39 0.00 0.00 57.03 56.96 2k0f h ASP 118 Cb 0.28 -0.04 -0.16 0.00 0.68 0.00 0.00 39.33 40.09 2k0f h ASP 118 CO -0.00 0.28 -0.36 -0.08 -1.61 0.00 0.00 179.24 177.46 2k0f h GLU 119 N 0.56 -0.01 -0.18 0.28 4.81 -1.26 0.40 114.58 119.18 2k0f h GLU 119 Ca 0.27 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 2k0f h GLU 119 Cb 0.19 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 2k0f h GLU 119 CO -0.19 -0.01 -0.09 0.52 -0.73 0.00 0.00 179.01 178.51 2k0f h MET 120 N -0.01 0.38 0.14 1.92 2.86 -1.40 -0.88 114.93 117.94 2k0f h MET 120 Ca 0.36 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2k0f h MET 120 Cb 0.61 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2k0f h MET 120 CO -0.98 0.69 -0.07 0.82 1.06 0.00 0.00 176.91 178.43 2k0f h ILE 121 N 0.06 0.91 -0.13 -1.22 1.08 -0.67 -1.60 117.51 115.94 2k0f h ILE 121 Ca 0.04 -0.20 0.01 0.00 -0.39 0.00 0.00 64.86 64.31 2k0f h ILE 121 Cb 0.58 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2k0f h ILE 121 CO 0.03 0.05 0.06 0.03 -0.69 0.00 0.00 178.15 177.62 2k0f h ARG 122 N -0.29 0.12 0.00 2.37 2.47 -1.01 -0.35 114.38 117.70 2k0f h ARG 122 Ca -0.02 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2k0f h ARG 122 Cb 0.23 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2k0f h ARG 122 CO 0.03 0.08 -0.08 1.05 0.56 0.00 0.00 179.97 181.61 2k0f h GLU 123 N 0.13 0.00 0.02 0.04 4.11 -1.11 -2.53 114.58 115.23 2k0f h GLU 123 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.48 2k0f h GLU 123 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 123 CO -0.04 0.08 -0.01 0.00 0.07 0.00 0.00 179.01 179.11 2k0f h ALA 124 N 1.92 -0.03 -2.46 1.06 0.00 -1.23 -3.46 119.26 115.06 2k0f h ALA 124 Ca -0.00 -0.34 -0.54 0.00 0.00 0.00 0.00 54.91 54.03 2k0f h ALA 124 Cb 0.15 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k0f h ALA 124 CO 0.01 -0.15 0.72 0.34 0.00 0.00 0.00 179.25 180.17 2k0f s ASP 125 N -5.88 6.91 -0.22 0.00 2.15 -0.15 -4.74 116.67 114.74 2k0f s ASP 125 Ca -0.16 2.15 -0.20 0.00 0.43 0.00 0.00 52.55 54.76 2k0f s ASP 125 Cb -0.00 -2.57 -0.18 0.00 -0.30 0.00 0.00 42.92 39.86 2k0f s ASP 125 CO 0.64 -0.62 0.13 -0.38 -0.17 0.00 0.00 175.17 174.76 2k0f n ILE 126 N 4.22 1.54 0.00 4.11 5.41 -1.26 -4.85 119.36 128.53 2k0f n ILE 126 Ca 0.11 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2k0f n ILE 126 Cb 0.44 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -4.37 0.00 0.00 4.38 5.68 -1.26 -5.03 116.55 115.95 2k0f n ASP 127 Ca -0.36 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 2k0f n ASP 127 Cb 0.73 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 2.26 0.00 0.18 6.12 0.00 -1.26 -5.03 105.19 107.46 2k0f n GLY 128 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.46 0.00 1.61 3.04 -1.99 -3.47 116.42 116.07 2k0f h ASP 129 Ca 0.00 -0.29 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 2k0f h ASP 129 Cb 0.00 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.16 2k0f h ASP 129 CO 0.00 1.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.81 2k0f n GLY 130 N 0.45 0.87 3.08 7.15 0.00 -1.26 -5.05 105.19 110.43 2k0f n GLY 130 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.76 2.63 -0.41 1.61 -1.52 -1.26 -4.72 119.66 115.23 2k0f s GLN 131 Ca 0.00 -0.69 -0.21 0.00 -1.95 0.00 0.00 55.36 52.50 2k0f s GLN 131 Cb 0.00 -2.30 0.02 0.00 -0.22 0.00 0.00 33.01 30.51 2k0f s GLN 131 CO 0.00 -0.18 0.69 0.08 -0.25 0.00 0.00 175.29 175.63 2k0f s VAL 132 N 1.29 4.79 0.04 1.09 1.01 -0.58 -4.86 120.40 123.17 2k0f s VAL 132 Ca 0.02 0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 2k0f s VAL 132 Cb -0.13 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.06 2k0f s VAL 132 CO -0.10 -0.52 0.05 -0.46 0.00 0.00 0.00 175.10 174.08 2k0f n ASN 133 N 6.32 0.03 -0.03 3.32 0.23 -1.26 0.49 115.26 124.37 2k0f n ASN 133 Ca -0.00 -1.04 -0.15 0.00 -0.53 0.00 0.00 54.58 52.87 2k0f n ASN 133 Cb 0.48 -0.04 -0.11 0.00 -2.08 0.00 0.00 39.78 38.03 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 -0.74 0.24 -0.74 -2.53 3.20 -1.96 -0.65 116.97 113.78 2k0f h TYR 134 Ca -0.02 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 2k0f h TYR 134 Cb 0.06 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 2k0f h TYR 134 CO 0.00 0.89 0.43 0.93 -1.64 0.00 0.00 178.16 178.77 2k0f h GLU 135 N -0.47 1.01 -0.41 1.82 5.08 -1.95 0.18 114.58 119.84 2k0f h GLU 135 Ca -0.02 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 135 Cb 0.93 -0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.90 2k0f h GLU 135 CO 0.04 0.72 -0.11 0.93 -1.00 0.00 0.00 179.01 179.59 2k0f h GLU 136 N 1.03 -0.01 -0.26 2.33 5.08 -1.87 -1.48 114.58 119.39 2k0f h GLU 136 Ca 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 2k0f h GLU 136 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2k0f h GLU 136 CO -0.05 -0.01 0.01 0.35 -1.00 0.00 0.00 179.01 178.32 2k0f h PHE 137 N -0.01 0.40 -0.17 4.33 3.57 -0.21 -2.55 116.94 122.30 2k0f h PHE 137 Ca 0.20 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 2k0f h PHE 137 Cb 0.31 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2k0f h PHE 137 CO -0.37 0.39 -0.38 0.28 -2.23 0.00 0.00 178.31 176.01 2k0f h VAL 138 N 0.38 1.34 0.00 1.41 2.07 -0.42 -2.73 116.25 118.30 2k0f h VAL 138 Ca 0.09 -1.63 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 2k0f h VAL 138 Cb 0.24 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2k0f h VAL 138 CO 0.00 0.50 -0.02 -0.61 0.02 0.00 0.00 177.57 177.46 2k0f h GLN 139 N 0.21 0.00 0.20 1.57 4.15 -1.13 -0.30 115.11 119.81 2k0f h GLN 139 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2k0f h GLN 139 Cb 0.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.67 2k0f h GLN 139 CO 0.08 0.02 -0.10 1.98 -1.93 0.00 0.00 178.83 178.89 2k0f h MET 140 N 0.00 -0.26 -0.00 1.69 4.05 -1.14 -3.37 114.93 115.90 2k0f h MET 140 Ca -0.00 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 2k0f h MET 140 Cb 0.48 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 2k0f h MET 140 CO 0.00 0.01 -0.14 0.52 0.23 0.00 0.00 176.91 177.54 2k0f h MET 141 N -0.53 0.10 0.00 0.39 2.86 -1.39 -3.52 114.93 112.84 2k0f h MET 141 Ca -0.03 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2k0f h MET 141 Cb 0.40 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2k0f h MET 141 CO 0.05 0.85 0.00 0.25 1.06 0.00 0.00 176.91 179.11