#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f n GLU 2 N 0.00 0.00 -3.83 1.09 1.02 -1.26 -4.96 120.64 112.70 2k0f n GLU 2 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2k0f n GLU 2 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 2k0f n GLU 2 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k0f s GLU 3 N 0.12 1.93 0.02 3.49 2.02 -1.26 -4.96 118.70 120.06 2k0f s GLU 3 Ca 0.00 -1.80 -0.22 0.00 0.02 0.00 0.00 54.97 52.97 2k0f s GLU 3 Cb 0.00 -3.50 -0.16 0.00 0.10 0.00 0.00 34.13 30.57 2k0f s GLU 3 CO 0.00 -1.02 1.34 0.37 0.02 0.00 0.00 175.26 175.96 2k0f h GLN 4 N 7.97 0.22 -0.61 1.61 5.75 -1.98 0.18 115.11 128.25 2k0f h GLN 4 Ca -0.12 -0.11 0.06 0.00 -0.15 0.00 0.00 58.65 58.33 2k0f h GLN 4 Cb 1.04 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.52 2k0f h GLN 4 CO 0.66 0.62 -0.36 -0.89 -2.65 0.00 0.00 178.83 176.21 2k0f n ILE 5 N -4.69 -0.42 -0.25 2.39 2.08 -1.26 -0.51 119.36 116.71 2k0f n ILE 5 Ca -0.07 1.83 0.05 0.00 0.56 0.00 0.00 62.75 65.12 2k0f n ILE 5 Cb 0.30 -2.29 0.29 0.00 -0.75 0.00 0.00 39.64 37.19 2k0f n ILE 5 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k0f h ALA 6 N 0.08 1.61 -0.10 -1.39 0.00 -1.94 -1.52 119.26 116.00 2k0f h ALA 6 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2k0f h ALA 6 Cb 0.25 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k0f h ALA 6 CO -0.58 0.27 -0.01 1.49 0.00 0.00 0.00 179.25 180.42 2k0f h GLU 7 N 0.90 0.18 0.04 0.00 4.81 0.20 0.29 114.58 121.00 2k0f h GLU 7 Ca 0.36 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2k0f h GLU 7 Cb 0.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2k0f h GLU 7 CO -0.13 0.47 -0.02 0.74 -0.73 0.00 0.00 179.01 179.34 2k0f h PHE 8 N -0.12 -0.04 0.27 0.92 0.04 -1.10 -2.95 116.94 113.96 2k0f h PHE 8 Ca 0.03 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2k0f h PHE 8 Cb 0.39 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.56 2k0f h PHE 8 CO 0.04 0.20 -0.13 -0.22 -0.60 0.00 0.00 178.31 177.60 2k0f h LYS 9 N -0.29 -0.35 0.00 1.51 3.64 -1.27 -2.73 116.57 117.09 2k0f h LYS 9 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2k0f h LYS 9 Cb 0.26 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2k0f h LYS 9 CO 0.01 -0.06 0.00 0.93 -2.27 0.00 0.00 179.45 178.06 2k0f h GLU 10 N -0.64 0.00 0.00 1.90 4.39 -0.55 0.15 114.58 119.83 2k0f h GLU 10 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 10 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2k0f h GLU 10 CO 0.06 0.00 -0.40 0.00 -1.16 0.00 0.00 179.01 177.52 2k0f n ALA 11 N -2.01 2.77 0.15 3.43 0.00 -1.11 -2.38 120.51 121.35 2k0f n ALA 11 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 2k0f n ALA 11 Cb 0.20 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 2k0f n ALA 11 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2k0f h PHE 12 N 0.00 -0.43 -0.56 0.00 3.57 -0.56 -3.38 116.94 115.59 2k0f h PHE 12 Ca 0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2k0f h PHE 12 Cb 0.70 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.49 2k0f h PHE 12 CO 0.00 -0.15 -0.20 0.43 -2.23 0.00 0.00 178.31 176.15 2k0f n SER 13 N -5.09 -0.33 -0.34 0.41 7.64 0.29 -2.07 113.62 114.13 2k0f n SER 13 Ca -0.07 0.97 0.17 0.00 1.01 0.00 0.00 58.87 60.94 2k0f n SER 13 Cb 0.24 -0.23 0.33 0.00 -1.01 0.00 0.00 64.21 63.53 2k0f n SER 13 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k0f n LEU 14 N -4.83 -0.06 0.21 -3.43 7.94 -1.00 -1.55 117.00 114.28 2k0f n LEU 14 Ca 0.06 1.68 0.10 0.00 -1.11 0.00 0.00 56.01 56.75 2k0f n LEU 14 Cb 0.23 -0.64 0.24 0.00 0.53 0.00 0.00 43.42 43.79 2k0f n LEU 14 CO -0.07 -1.73 0.76 -0.26 -1.11 0.00 0.00 177.39 174.98 2k0f h PHE 15 N 0.00 0.00 -3.34 1.96 0.04 -1.63 -3.46 116.94 110.51 2k0f h PHE 15 Ca 0.63 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.84 2k0f h PHE 15 Cb 1.37 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.47 2k0f h PHE 15 CO -0.44 0.14 0.02 0.34 -0.60 0.00 0.00 178.31 177.77 2k0f s ASP 16 N -6.19 6.96 -0.00 2.17 -1.08 -0.60 -4.81 116.67 113.12 2k0f s ASP 16 Ca 0.05 1.15 0.22 0.00 -0.52 0.00 0.00 52.55 53.45 2k0f s ASP 16 Cb 0.07 -2.38 -0.22 0.00 -1.46 0.00 0.00 42.92 38.92 2k0f s ASP 16 CO 0.66 0.00 0.78 0.29 0.52 0.00 0.00 175.17 177.43 2k0f n LYS 17 N 3.22 0.27 -0.09 4.34 4.76 -1.26 -4.26 118.16 125.13 2k0f n LYS 17 Ca -0.04 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.17 2k0f n LYS 17 Cb 0.51 -1.52 -0.07 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.82 1.85 0.00 4.39 8.00 -1.26 -5.05 116.55 122.66 2k0f n ASP 18 Ca 0.01 0.49 0.00 0.00 0.71 0.00 0.00 54.79 56.00 2k0f n ASP 18 Cb 0.43 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 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 1.49 1.54 0.00 0.44 0.00 -1.26 -5.14 105.19 102.25 2k0f n GLY 19 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -0.99 1.61 5.75 -1.26 -5.07 116.55 116.60 2k0f n ASP 20 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 2k0f n ASP 20 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 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 0.76 2.97 6.12 0.00 -1.26 -4.98 105.19 113.79 2k0f n GLY 21 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 0.54 -0.21 2.61 -4.23 -1.26 -4.30 115.64 108.79 2k0f s THR 22 Ca 0.12 -0.26 -0.09 0.00 -1.18 0.00 0.00 61.69 60.28 2k0f s THR 22 Cb 0.13 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 2k0f s THR 22 CO -0.06 0.17 0.10 -0.63 -0.54 0.00 0.00 174.62 173.66 2k0f s ILE 23 N 0.05 4.99 0.59 2.99 1.01 -1.08 -4.88 121.20 124.87 2k0f s ILE 23 Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.72 2k0f s ILE 23 Cb -0.05 -3.29 0.07 0.00 0.01 0.00 0.00 42.46 39.20 2k0f s ILE 23 CO -0.00 0.40 0.82 0.42 0.00 0.00 0.00 174.94 176.58 2k0f s THR 24 N 0.78 2.46 0.46 2.92 -4.23 -1.26 -1.34 115.64 115.43 2k0f s THR 24 Ca 0.05 -0.75 0.19 0.00 -1.18 0.00 0.00 61.69 60.01 2k0f s THR 24 Cb -0.13 -2.71 0.37 0.00 1.34 0.00 0.00 72.50 71.36 2k0f s THR 24 CO 0.02 0.00 1.95 0.71 -0.54 0.00 0.00 174.62 176.76 2k0f h THR 25 N -0.02 0.78 0.00 3.99 1.35 -1.94 -2.43 112.91 114.65 2k0f h THR 25 Ca -0.38 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2k0f h THR 25 Cb 1.28 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2k0f h THR 25 CO 0.46 0.05 -0.32 0.11 -0.25 0.00 0.00 175.52 175.56 2k0f h LYS 26 N 0.28 0.00 0.00 4.72 1.57 -1.94 0.14 116.57 121.33 2k0f h LYS 26 Ca 0.32 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.95 2k0f h LYS 26 Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 2k0f h LYS 26 CO -0.08 0.00 -0.73 0.93 -0.57 0.00 0.00 179.45 179.00 2k0f h GLU 27 N 0.00 0.00 0.00 3.15 5.08 -1.80 -2.79 114.58 118.22 2k0f h GLU 27 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 27 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2k0f h GLU 27 CO 0.00 0.73 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.55 2k0f h LEU 28 N 0.00 0.00 -0.91 1.33 3.38 -1.16 -3.33 115.31 114.62 2k0f h LEU 28 Ca -0.01 -0.60 0.26 0.00 0.09 0.00 0.00 57.88 57.61 2k0f h LEU 28 Cb 1.33 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.94 2k0f h LEU 28 CO 0.09 0.87 0.30 1.23 0.09 0.00 0.00 178.44 181.03 2k0f h GLY 29 N -1.00 1.51 0.96 0.83 0.00 -1.02 0.14 103.07 104.49 2k0f h GLY 29 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2k0f h GLY 29 CO -0.02 -0.40 0.19 0.00 0.00 0.00 0.00 176.54 176.31 2k0f h THR 30 N 0.23 1.16 -0.25 4.70 1.03 -1.66 -1.50 112.91 116.61 2k0f h THR 30 Ca 0.59 -0.43 0.06 0.00 -0.01 0.00 0.00 66.41 66.62 2k0f h THR 30 Cb 1.24 0.76 -0.08 0.00 -1.07 0.00 0.00 68.15 69.01 2k0f h THR 30 CO -0.65 0.17 -0.37 0.58 -0.01 0.00 0.00 175.52 175.23 2k0f h VAL 31 N 0.46 0.20 -0.49 0.00 2.07 -1.35 -2.24 116.25 114.90 2k0f h VAL 31 Ca 0.13 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 2k0f h VAL 31 Cb 0.09 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2k0f h VAL 31 CO -0.02 0.00 0.09 0.24 0.02 0.00 0.00 177.57 177.90 2k0f h MET 32 N -0.37 0.76 -0.04 1.57 2.86 -0.78 -1.12 114.93 117.80 2k0f h MET 32 Ca 0.12 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2k0f h MET 32 Cb 0.57 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2k0f h MET 32 CO -0.46 0.71 -0.20 -0.09 1.06 0.00 0.00 176.91 177.93 2k0f h ARG 33 N 0.73 0.07 0.16 1.72 2.43 -0.91 -0.48 114.38 118.10 2k0f h ARG 33 Ca 0.16 -0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 59.00 2k0f h ARG 33 Cb 0.31 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2k0f h ARG 33 CO 0.00 0.27 -1.48 0.77 -1.51 0.00 0.00 179.97 178.03 2k0f h SER 34 N 0.06 0.52 -0.11 -3.80 0.02 -0.66 -3.31 113.55 106.28 2k0f h SER 34 Ca 0.01 -0.64 -0.04 0.00 -0.84 0.00 0.00 61.79 60.28 2k0f h SER 34 Cb 0.40 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 2k0f h SER 34 CO 0.03 1.52 -0.08 -0.07 -1.14 0.00 0.00 176.83 177.09 2k0f h LEU 35 N 0.09 0.26 0.00 5.07 3.38 -1.31 -3.47 115.31 119.32 2k0f h LEU 35 Ca -0.23 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2k0f h LEU 35 Cb 2.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2k0f h LEU 35 CO 0.20 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.99 2k0f n GLY 36 N 0.12 -2.35 3.72 0.83 0.00 -0.19 -5.10 105.19 102.21 2k0f n GLY 36 Ca -0.07 0.76 -0.40 0.00 0.00 0.00 0.00 46.02 46.32 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N -0.01 4.44 -0.26 1.61 2.00 -1.22 -4.68 119.66 121.53 2k0f s GLN 37 Ca 0.00 0.88 -0.24 0.00 -2.00 0.00 0.00 55.36 54.00 2k0f s GLN 37 Cb 0.00 -3.44 -0.00 0.00 0.80 0.00 0.00 33.01 30.37 2k0f s GLN 37 CO 0.00 0.09 0.82 1.21 -0.50 0.00 0.00 175.29 176.91 2k0f s ASN 38 N 0.69 6.79 0.43 6.67 2.47 -1.26 -4.02 114.94 126.71 2k0f s ASN 38 Ca 0.37 0.95 -0.22 0.00 0.42 0.00 0.00 52.86 54.38 2k0f s ASN 38 Cb -0.18 -2.43 -0.10 0.00 -1.45 0.00 0.00 41.25 37.09 2k0f s ASN 38 CO 0.18 -0.54 0.99 -2.16 -3.72 0.00 0.00 177.10 171.86 2k0f s PRO 39 N 2.87 4.15 0.87 0.43 0.04 -1.26 -5.01 135.00 137.09 2k0f s PRO 39 Ca 0.34 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 2k0f s PRO 39 Cb -0.15 -2.30 0.12 0.00 0.04 0.00 0.00 34.50 32.21 2k0f s PRO 39 CO 0.08 -0.12 1.11 0.95 0.04 0.00 0.00 177.00 179.06 2k0f s THR 40 N -1.96 2.57 0.43 1.26 -4.23 -1.26 -4.78 115.64 107.66 2k0f s THR 40 Ca 0.61 0.18 0.12 0.00 -1.18 0.00 0.00 61.69 61.43 2k0f s THR 40 Cb -0.14 -2.84 0.18 0.00 1.34 0.00 0.00 72.50 71.04 2k0f s THR 40 CO 0.19 -0.24 1.98 -0.08 -0.54 0.00 0.00 174.62 175.92 2k0f h GLU 41 N -1.40 0.12 0.06 3.99 4.57 -1.98 0.44 114.58 120.38 2k0f h GLU 41 Ca -0.49 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.68 2k0f h GLU 41 Cb 1.30 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.84 2k0f h GLU 41 CO 0.59 0.25 -0.17 0.00 -1.18 0.00 0.00 179.01 178.50 2k0f h ALA 42 N 1.76 -0.25 -1.00 2.92 0.00 -1.99 -2.19 119.26 118.51 2k0f h ALA 42 Ca 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2k0f h ALA 42 Cb 0.30 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2k0f h ALA 42 CO 0.02 -0.68 0.66 0.93 0.00 0.00 0.00 179.25 180.17 2k0f h GLU 43 N -0.31 1.28 0.00 0.00 5.08 -1.76 0.21 114.58 119.07 2k0f h GLU 43 Ca 0.04 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 43 Cb 0.35 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k0f h GLU 43 CO -0.12 0.85 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.54 2k0f h LEU 44 N 1.32 0.00 -0.35 1.33 3.38 -0.85 -0.28 115.31 119.86 2k0f h LEU 44 Ca 0.38 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.20 2k0f h LEU 44 Cb -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2k0f h LEU 44 CO -0.10 0.13 -0.37 -0.61 0.09 0.00 0.00 178.44 177.58 2k0f h GLN 45 N 0.00 0.87 0.76 1.13 5.75 -0.70 -1.94 115.11 120.98 2k0f h GLN 45 Ca -0.00 -0.47 -0.03 0.00 -0.15 0.00 0.00 58.65 58.00 2k0f h GLN 45 Cb 0.29 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 2k0f h GLN 45 CO 0.02 1.11 -0.49 0.22 -2.65 0.00 0.00 178.83 177.04 2k0f h ASP 46 N 0.66 -1.25 -0.66 -0.69 3.58 -0.41 -2.08 116.42 115.57 2k0f h ASP 46 Ca 0.05 0.07 0.13 0.00 0.42 0.00 0.00 57.03 57.70 2k0f h ASP 46 Cb 0.96 0.37 -0.13 0.00 1.72 0.00 0.00 39.33 42.25 2k0f h ASP 46 CO 0.09 -0.74 -0.25 0.24 -2.88 0.00 0.00 179.24 175.70 2k0f h MET 47 N -1.17 -0.07 -0.37 0.28 2.86 -1.12 -2.69 114.93 112.65 2k0f h MET 47 Ca -0.10 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.40 2k0f h MET 47 Cb 0.95 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2k0f h MET 47 CO 0.09 -0.05 -0.34 0.97 1.06 0.00 0.00 176.91 178.63 2k0f h ILE 48 N -0.07 1.28 -0.85 -1.22 6.09 -1.32 -3.11 117.51 118.30 2k0f h ILE 48 Ca 0.29 -1.51 0.19 0.00 -1.37 0.00 0.00 64.86 62.45 2k0f h ILE 48 Cb 0.54 1.41 -0.06 0.00 0.47 0.00 0.00 36.82 39.18 2k0f h ILE 48 CO -0.71 0.50 0.57 -1.13 -3.07 0.00 0.00 178.15 174.31 2k0f h ASN 49 N 0.69 0.40 0.38 2.19 -1.24 -1.12 -0.22 115.58 116.66 2k0f h ASN 49 Ca 0.06 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 2k0f h ASN 49 Cb 0.93 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.95 2k0f h ASN 49 CO 0.09 0.18 -0.18 -0.08 -1.29 0.00 0.00 177.43 176.14 2k0f h GLU 50 N 0.41 -0.50 0.18 6.67 4.57 -1.41 -3.38 114.58 121.12 2k0f h GLU 50 Ca 0.43 0.03 -0.28 0.00 -1.18 0.00 0.00 59.36 58.37 2k0f h GLU 50 Cb 1.07 0.11 0.02 0.00 -0.16 0.00 0.00 28.75 29.79 2k0f h GLU 50 CO -0.15 -0.18 -1.29 -0.39 -1.18 0.00 0.00 179.01 175.81 2k0f h VAL 51 N -0.88 1.25 -3.49 0.32 -1.51 -1.54 -3.45 116.25 106.94 2k0f h VAL 51 Ca -0.05 -2.55 -0.53 0.00 -1.23 0.00 0.00 66.70 62.34 2k0f h VAL 51 Cb 0.54 2.98 -0.02 0.00 -2.13 0.00 0.00 31.29 32.67 2k0f h VAL 51 CO 0.09 0.76 0.39 -0.62 -1.23 0.00 0.00 177.57 176.96 2k0f s ASP 52 N -7.22 7.41 -0.17 4.19 2.15 -0.12 -4.83 116.67 118.08 2k0f s ASP 52 Ca -0.14 1.79 0.07 0.00 0.43 0.00 0.00 52.55 54.70 2k0f s ASP 52 Cb 0.03 -2.58 -0.22 0.00 -0.30 0.00 0.00 42.92 39.85 2k0f s ASP 52 CO 0.86 -0.16 0.15 0.00 -0.17 0.00 0.00 175.17 175.84 2k0f n ALA 53 N 3.17 1.35 -0.01 3.66 0.00 -1.26 -4.70 120.51 122.72 2k0f n ALA 53 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2k0f n ALA 53 Cb 0.49 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k0f n ASP 54 N -3.12 0.00 0.00 0.00 8.00 -1.26 -4.97 116.55 115.21 2k0f n ASP 54 Ca -0.34 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.13 2k0f n ASP 54 Cb 1.06 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 55 N -0.83 1.60 0.10 0.44 0.00 -1.26 -5.03 105.19 100.21 2k0f n GLY 55 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.37 -0.16 1.61 7.08 -1.96 -3.49 115.58 119.03 2k0f h ASN 56 Ca 0.00 -0.45 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 2k0f h ASN 56 Cb 0.00 -0.12 0.00 0.00 -2.08 0.00 0.00 38.32 36.12 2k0f h ASN 56 CO 0.00 1.36 0.00 0.61 -2.08 0.00 0.00 177.43 177.32 2k0f n GLY 57 N 1.58 1.16 2.98 9.14 0.00 -1.26 -5.08 105.19 113.70 2k0f n GLY 57 Ca -0.11 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.16 0.13 -0.22 2.61 -4.23 -1.26 -4.00 115.64 106.50 2k0f s THR 58 Ca 0.00 -0.91 -0.18 0.00 -1.18 0.00 0.00 61.69 59.42 2k0f s THR 58 Cb 0.00 -0.27 -0.03 0.00 1.34 0.00 0.00 72.50 73.54 2k0f s THR 58 CO 0.00 -0.49 0.52 -0.63 -0.54 0.00 0.00 174.62 173.48 2k0f s ILE 59 N -1.44 5.10 0.68 2.99 1.01 -0.45 -4.75 121.20 124.33 2k0f s ILE 59 Ca -0.16 0.93 -0.05 0.00 0.00 0.00 0.00 60.65 61.38 2k0f s ILE 59 Cb -0.10 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.59 2k0f s ILE 59 CO -0.01 0.15 0.97 -1.81 0.00 0.00 0.00 174.94 174.25 2k0f s ASP 60 N 1.25 4.88 0.11 3.58 1.01 -1.26 -2.64 116.67 123.60 2k0f s ASP 60 Ca 0.23 0.34 -0.22 0.00 0.71 0.00 0.00 52.55 53.62 2k0f s ASP 60 Cb -0.15 -1.02 -0.07 0.00 1.01 0.00 0.00 42.92 42.68 2k0f s ASP 60 CO 0.09 -1.53 1.71 0.15 0.21 0.00 0.00 175.17 175.81 2k0f h PHE 61 N -0.48 -0.13 0.00 4.23 3.57 -1.98 -0.41 116.94 121.74 2k0f h PHE 61 Ca -0.44 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 61 Cb 1.31 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 2k0f h PHE 61 CO 0.31 -0.09 -0.00 -1.35 -2.23 0.00 0.00 178.31 174.95 2k0f h PRO 62 N -0.06 0.00 -0.04 6.41 0.11 -1.97 -1.73 132.00 134.72 2k0f h PRO 62 Ca 0.06 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.96 2k0f h PRO 62 Cb 0.14 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.27 2k0f h PRO 62 CO -0.13 0.00 -0.77 0.93 -0.21 0.00 0.00 178.00 177.82 2k0f h GLU 63 N 0.00 0.59 0.06 1.05 5.08 -1.64 -2.28 114.58 117.44 2k0f h GLU 63 Ca -0.00 -0.59 0.01 0.00 -1.00 0.00 0.00 59.36 57.78 2k0f h GLU 63 Cb 0.01 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 63 CO 0.00 1.20 -0.37 0.35 -1.00 0.00 0.00 179.01 179.19 2k0f h PHE 64 N 0.21 -1.07 0.00 4.33 3.57 -0.99 -3.19 116.94 119.80 2k0f h PHE 64 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2k0f h PHE 64 Cb 1.44 0.46 0.00 0.00 2.79 0.00 0.00 35.95 40.64 2k0f h PHE 64 CO 0.12 -0.41 0.00 1.28 -2.23 0.00 0.00 178.31 177.07 2k0f n LEU 65 N -4.53 0.00 0.09 0.59 4.77 -0.66 -1.80 117.00 115.45 2k0f n LEU 65 Ca -0.06 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2k0f n LEU 65 Cb 0.28 -0.30 0.31 0.00 -2.33 0.00 0.00 43.42 41.38 2k0f n LEU 65 CO 0.10 -0.16 0.80 0.74 -1.33 0.00 0.00 177.39 177.55 2k0f h THR 66 N 0.00 1.23 0.00 -5.08 2.02 -1.39 -1.65 112.91 108.04 2k0f h THR 66 Ca 0.00 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 2k0f h THR 66 Cb 0.14 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2k0f h THR 66 CO 0.00 0.33 -0.19 0.24 0.37 0.00 0.00 175.52 176.27 2k0f h MET 67 N 0.27 0.00 0.17 6.66 2.86 -1.47 -3.34 114.93 120.07 2k0f h MET 67 Ca 0.05 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.36 2k0f h MET 67 Cb 0.53 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.20 2k0f h MET 67 CO 0.04 0.19 -1.62 0.52 1.06 0.00 0.00 176.91 177.10 2k0f h MET 68 N 0.00 0.37 0.00 1.72 2.07 -1.60 -3.36 114.93 114.13 2k0f h MET 68 Ca -0.00 -0.63 -0.01 0.00 -2.07 0.00 0.00 59.70 56.99 2k0f h MET 68 Cb 0.77 0.23 -0.00 0.00 -1.87 0.00 0.00 31.60 30.73 2k0f h MET 68 CO 0.02 1.30 -0.04 0.00 1.07 0.00 0.00 176.91 179.26 2k0f h ALA 69 N 0.07 1.92 -1.71 6.32 0.00 -1.43 -3.41 119.26 121.02 2k0f h ALA 69 Ca -0.32 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.01 2k0f h ALA 69 Cb 2.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 2k0f h ALA 69 CO 0.16 0.05 1.29 1.03 0.00 0.00 0.00 179.25 181.78 2k0f s ARG 70 N -4.96 3.07 -0.32 0.00 0.52 -1.26 -5.00 118.95 110.99 2k0f s ARG 70 Ca -0.05 1.06 -0.28 0.00 -0.52 0.00 0.00 55.73 55.95 2k0f s ARG 70 Cb 0.17 -4.26 0.01 0.00 0.52 0.00 0.00 34.95 31.39 2k0f s ARG 70 CO 0.67 -2.18 1.01 0.21 0.02 0.00 0.00 175.30 175.03 2k0f s LYS 71 N 6.15 4.02 0.00 3.54 2.20 -1.26 -5.06 119.74 129.33 2k0f s LYS 71 Ca 0.73 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.27 2k0f s LYS 71 Cb -0.18 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 2k0f s LYS 71 CO 0.28 -0.87 0.00 -1.33 -0.36 0.00 0.00 175.35 173.07 2k0f n MET 72 N 6.75 1.09 -2.13 4.03 2.81 -1.26 -5.10 117.12 123.31 2k0f n MET 72 Ca 0.10 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.71 2k0f n MET 72 Cb 0.47 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 33.04 2k0f n MET 72 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2k0f s LYS 73 N -0.89 2.62 0.27 0.03 2.20 -1.26 -4.66 119.74 118.05 2k0f s LYS 73 Ca 0.00 0.10 -0.01 0.00 -0.36 0.00 0.00 55.97 55.70 2k0f s LYS 73 Cb 0.00 -2.13 0.52 0.00 -1.51 0.00 0.00 37.83 34.71 2k0f s LYS 73 CO 0.00 -1.04 1.79 0.38 -0.36 0.00 0.00 175.35 176.12 2k0f h ASP 74 N -0.53 0.68 0.09 1.43 2.03 -1.99 0.15 116.42 118.27 2k0f h ASP 74 Ca -0.45 0.07 -0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2k0f h ASP 74 Cb 1.28 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2k0f h ASP 74 CO 0.62 0.33 -0.09 0.71 -1.03 0.00 0.00 179.24 179.78 2k0f h THR 75 N 0.76 0.00 -0.24 1.15 1.35 -2.00 -3.28 112.91 110.64 2k0f h THR 75 Ca 0.46 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 66.25 2k0f h THR 75 Cb 0.56 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.96 2k0f h THR 75 CO -0.31 0.00 -0.14 0.44 -0.25 0.00 0.00 175.52 175.26 2k0f h ASP 76 N -0.18 0.40 0.03 5.36 3.32 -1.79 -2.56 116.42 121.00 2k0f h ASP 76 Ca -0.01 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 2k0f h ASP 76 Cb 0.15 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2k0f h ASP 76 CO -0.01 0.57 -0.50 0.28 -1.72 0.00 0.00 179.24 177.86 2k0f h SER 77 N 0.38 0.58 -0.16 6.45 0.02 -0.88 -2.94 113.55 116.99 2k0f h SER 77 Ca 0.07 -0.29 -0.19 0.00 -0.84 0.00 0.00 61.79 60.54 2k0f h SER 77 Cb 0.48 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2k0f h SER 77 CO 0.03 0.98 -0.60 -0.08 -1.14 0.00 0.00 176.83 176.02 2k0f h GLU 78 N 0.42 0.76 -0.77 3.45 4.81 -1.58 -3.24 114.58 118.44 2k0f h GLU 78 Ca 0.02 -0.52 0.15 0.00 -0.13 0.00 0.00 59.36 58.88 2k0f h GLU 78 Cb 1.02 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 2k0f h GLU 78 CO 0.09 1.14 0.51 1.49 -0.73 0.00 0.00 179.01 181.51 2k0f h GLU 79 N 0.57 0.42 -0.08 1.92 4.81 -1.28 -0.75 114.58 120.19 2k0f h GLU 79 Ca -0.00 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 79 Cb 1.20 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 2k0f h GLU 79 CO 0.13 0.28 -0.76 1.49 -0.73 0.00 0.00 179.01 179.42 2k0f h GLU 80 N 0.43 0.46 0.29 1.92 4.81 -1.60 1.00 114.58 121.88 2k0f h GLU 80 Ca 0.38 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 80 Cb 0.85 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2k0f h GLU 80 CO -0.12 1.02 -0.14 0.82 -0.73 0.00 0.00 179.01 179.86 2k0f h ILE 81 N 0.31 0.70 -0.81 2.32 2.04 -1.33 -1.02 117.51 119.71 2k0f h ILE 81 Ca -0.04 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2k0f h ILE 81 Cb 1.34 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 2k0f h ILE 81 CO 0.13 0.13 0.43 0.03 0.00 0.00 0.00 178.15 178.87 2k0f h ARG 82 N -0.79 1.15 0.00 2.37 3.08 -1.11 -0.23 114.38 118.85 2k0f h ARG 82 Ca -0.04 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2k0f h ARG 82 Cb 0.51 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2k0f h ARG 82 CO 0.06 0.86 0.00 0.93 -1.07 0.00 0.00 179.97 180.75 2k0f h GLU 83 N 1.14 0.00 0.02 0.04 4.39 -0.84 -2.49 114.58 116.83 2k0f h GLU 83 Ca 0.28 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.78 2k0f h GLU 83 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2k0f h GLU 83 CO -0.04 0.00 -0.94 0.00 -1.16 0.00 0.00 179.01 176.86 2k0f h ALA 84 N 2.03 0.45 -0.70 3.43 0.00 -0.10 -3.29 119.26 121.07 2k0f h ALA 84 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 2k0f h ALA 84 Cb 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2k0f h ALA 84 CO 0.00 1.01 0.43 0.35 0.00 0.00 0.00 179.25 181.04 2k0f h PHE 85 N 0.06 0.92 0.00 0.00 3.57 -0.63 -1.30 116.94 119.56 2k0f h PHE 85 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2k0f h PHE 85 Cb 1.62 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.05 2k0f h PHE 85 CO 0.02 0.61 0.00 0.54 -2.23 0.00 0.00 178.31 177.25 2k0f n ARG 86 N -4.40 0.17 0.03 1.11 1.74 -1.12 -0.73 116.66 113.47 2k0f n ARG 86 Ca 0.07 0.47 -0.19 0.00 -0.77 0.00 0.00 57.85 57.44 2k0f n ARG 86 Cb 0.07 -1.88 -0.13 0.00 -1.02 0.00 0.00 32.46 29.49 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f h VAL 87 N 0.00 1.49 0.04 1.55 2.07 -1.37 -3.41 116.25 116.62 2k0f h VAL 87 Ca 0.00 -2.37 -0.13 0.00 0.82 0.00 0.00 66.70 65.02 2k0f h VAL 87 Cb 0.26 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2k0f h VAL 87 CO 0.00 0.68 -0.65 -0.26 0.02 0.00 0.00 177.57 177.36 2k0f h PHE 88 N -0.29 0.14 -1.71 1.57 0.04 -1.18 -3.40 116.94 112.11 2k0f h PHE 88 Ca -0.12 -0.10 -0.46 0.00 2.80 0.00 0.00 57.97 60.09 2k0f h PHE 88 Cb 1.52 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.62 2k0f h PHE 88 CO 0.18 1.25 1.20 0.34 -0.60 0.00 0.00 178.31 180.68 2k0f s ASP 89 N -6.60 5.37 0.24 2.17 2.15 0.09 -4.63 116.67 115.45 2k0f s ASP 89 Ca -0.21 -0.02 0.06 0.00 0.43 0.00 0.00 52.55 52.81 2k0f s ASP 89 Cb 0.01 -2.54 0.25 0.00 -0.30 0.00 0.00 42.92 40.34 2k0f s ASP 89 CO 0.69 -2.38 1.55 0.11 -0.17 0.00 0.00 175.17 174.98 2k0f h LYS 90 N 13.53 0.16 0.00 4.34 1.79 -1.79 -3.35 116.57 131.25 2k0f h LYS 90 Ca -0.17 -0.12 -0.11 0.00 -2.18 0.00 0.00 60.65 58.07 2k0f h LYS 90 Cb 1.11 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 2k0f h LYS 90 CO 1.23 0.74 -0.68 0.38 -1.08 0.00 0.00 179.45 180.05 2k0f h ASP 91 N 0.11 0.00 0.00 0.86 3.04 -1.92 -3.49 116.42 115.02 2k0f h ASP 91 Ca -0.01 -0.58 0.00 0.00 -3.24 0.00 0.00 57.03 53.20 2k0f h ASP 91 Cb 1.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 2k0f h ASP 91 CO 0.09 1.18 0.00 0.61 -2.04 0.00 0.00 179.24 179.09 2k0f n GLY 92 N 1.54 1.40 0.26 7.15 0.00 -1.26 -4.98 105.19 109.30 2k0f n GLY 92 Ca -0.20 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 45.83 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.95 -3.47 115.58 110.70 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.34 2k0f h ASN 93 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N 0.28 0.61 2.88 9.14 0.00 -1.26 -5.08 105.19 111.75 2k0f n GLY 94 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 0.79 -0.27 1.61 2.02 -1.26 -4.07 117.35 114.17 2k0f s TYR 95 Ca 0.00 -0.24 -0.26 0.00 -0.37 0.00 0.00 57.07 56.20 2k0f s TYR 95 Cb 0.00 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.84 2k0f s TYR 95 CO 0.00 -0.23 0.92 0.42 -1.57 0.00 0.00 175.55 175.09 2k0f s ILE 96 N 1.12 4.72 0.24 2.71 1.01 0.16 -4.82 121.20 126.35 2k0f s ILE 96 Ca -0.08 1.61 -0.02 0.00 0.00 0.00 0.00 60.65 62.17 2k0f s ILE 96 Cb -0.14 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2k0f s ILE 96 CO -0.01 -0.23 0.45 -0.55 0.00 0.00 0.00 174.94 174.60 2k0f s SER 97 N 1.45 6.39 0.57 3.58 0.15 -1.26 -0.77 113.70 123.81 2k0f s SER 97 Ca 0.39 0.49 0.29 0.00 0.70 0.00 0.00 55.95 57.81 2k0f s SER 97 Cb -0.14 -2.05 1.48 0.00 -1.71 0.00 0.00 66.02 63.60 2k0f s SER 97 CO 0.10 -0.11 1.93 0.00 1.20 0.00 0.00 173.24 176.36 2k0f h ALA 98 N 1.75 2.30 -0.45 5.45 0.00 -1.97 -1.95 119.26 124.40 2k0f h ALA 98 Ca -0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2k0f h ALA 98 Cb 1.19 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 98 CO 0.67 -0.72 0.19 0.00 0.00 0.00 0.00 179.25 179.38 2k0f h ALA 99 N 1.55 0.58 0.09 0.00 0.00 -1.98 -0.19 119.26 119.30 2k0f h ALA 99 Ca 0.24 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 2k0f h ALA 99 Cb 1.16 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2k0f h ALA 99 CO -0.00 0.18 -1.15 0.93 0.00 0.00 0.00 179.25 179.21 2k0f h GLU 100 N 0.58 0.42 -0.25 0.00 5.08 -1.70 -3.16 114.58 115.55 2k0f h GLU 100 Ca 0.15 -0.57 -0.18 0.00 -1.00 0.00 0.00 59.36 57.76 2k0f h GLU 100 Cb 0.18 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 100 CO -0.01 1.23 -0.56 1.25 -1.00 0.00 0.00 179.01 179.92 2k0f h LEU 101 N 0.18 0.86 -0.95 1.33 5.85 -1.25 0.45 115.31 121.78 2k0f h LEU 101 Ca -0.13 -0.46 0.11 0.00 0.84 0.00 0.00 57.88 58.23 2k0f h LEU 101 Cb 1.83 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 42.53 2k0f h LEU 101 CO 0.20 1.24 0.59 0.03 -0.34 0.00 0.00 178.44 180.15 2k0f h ARG 102 N 0.59 0.91 -0.23 1.25 3.08 -1.13 -0.07 114.38 118.79 2k0f h ARG 102 Ca 0.01 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 2k0f h ARG 102 Cb 1.15 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2k0f h ARG 102 CO 0.12 0.60 -0.44 1.25 -1.07 0.00 0.00 179.97 180.43 2k0f h HIS 103 N 0.94 0.89 -0.02 3.04 2.76 -1.29 -3.31 115.15 118.16 2k0f h HIS 103 Ca 0.47 -0.32 -0.18 0.00 -2.20 0.00 0.00 60.37 58.14 2k0f h HIS 103 Cb 0.45 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2k0f h HIS 103 CO -0.02 1.10 -0.79 0.28 -1.30 0.00 0.00 177.93 177.20 2k0f h VAL 104 N 0.42 1.46 0.01 5.26 2.07 -0.47 -3.11 116.25 121.89 2k0f h VAL 104 Ca 0.01 -2.42 -0.19 0.00 0.82 0.00 0.00 66.70 64.92 2k0f h VAL 104 Cb 1.05 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 2k0f h VAL 104 CO 0.10 0.71 -0.90 0.24 0.02 0.00 0.00 177.57 177.74 2k0f h MET 105 N 0.13 0.04 -0.45 1.57 2.07 -1.12 0.14 114.93 117.29 2k0f h MET 105 Ca -0.03 -0.05 -0.11 0.00 -2.07 0.00 0.00 59.70 57.44 2k0f h MET 105 Cb 1.38 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 31.11 2k0f h MET 105 CO 0.12 0.91 -0.17 0.00 1.07 0.00 0.00 176.91 178.84 2k0f h THR 106 N 0.02 1.27 -0.05 2.22 1.03 -1.64 -1.58 112.91 114.17 2k0f h THR 106 Ca -0.02 -1.29 -0.08 0.00 -0.01 0.00 0.00 66.41 65.01 2k0f h THR 106 Cb 1.57 1.10 -0.01 0.00 -1.07 0.00 0.00 68.15 69.74 2k0f h THR 106 CO 0.12 0.44 -0.34 0.78 -0.01 0.00 0.00 175.52 176.51 2k0f h ASN 107 N 0.77 0.09 1.46 0.00 2.35 -1.37 -3.14 115.58 115.74 2k0f h ASN 107 Ca 0.11 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2k0f h ASN 107 Cb 0.70 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 2k0f h ASN 107 CO 0.05 0.43 -0.55 0.25 -1.65 0.00 0.00 177.43 175.96 2k0f h LEU 108 N 0.08 0.00 0.00 1.61 5.85 -0.59 -3.41 115.31 118.85 2k0f h LEU 108 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2k0f h LEU 108 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2k0f h LEU 108 CO 0.05 0.49 0.00 0.61 -0.34 0.00 0.00 178.44 179.24 2k0f n GLY 109 N 1.23 0.53 3.80 3.75 0.00 -1.09 -4.89 105.19 108.52 2k0f n GLY 109 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 4.34 -1.19 1.61 0.41 -0.62 -4.98 118.70 118.28 2k0f s GLU 110 Ca 0.00 1.25 -0.12 0.00 -0.41 0.00 0.00 54.97 55.69 2k0f s GLU 110 Cb 0.00 -2.45 0.20 0.00 -1.78 0.00 0.00 34.13 30.11 2k0f s GLU 110 CO 0.00 0.06 1.35 1.63 -0.49 0.00 0.00 175.26 177.80 2k0f n LYS 111 N -0.14 3.43 -1.65 1.61 5.02 -1.26 -4.44 118.16 120.72 2k0f n LYS 111 Ca 0.05 -4.03 -0.43 0.00 -2.02 0.00 0.00 58.31 51.88 2k0f n LYS 111 Cb 0.52 -2.89 -0.03 0.00 -0.02 0.00 0.00 35.03 32.60 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2k0f n LEU 112 N 4.74 3.95 -4.50 -0.35 7.94 -1.26 -5.00 117.00 122.51 2k0f n LEU 112 Ca 0.33 0.80 -0.34 0.00 -1.11 0.00 0.00 56.01 55.68 2k0f n LEU 112 Cb 0.41 -1.51 -0.12 0.00 0.53 0.00 0.00 43.42 42.73 2k0f n LEU 112 CO 0.58 0.04 -0.32 -0.89 -1.11 0.00 0.00 177.39 175.69 2k0f s THR 113 N 5.04 4.10 0.04 1.96 2.01 -1.26 -5.03 115.64 122.50 2k0f s THR 113 Ca 0.91 -0.27 -0.19 0.00 0.31 0.00 0.00 61.69 62.45 2k0f s THR 113 Cb -0.45 -2.83 -0.16 0.00 0.01 0.00 0.00 72.50 69.07 2k0f s THR 113 CO 0.42 0.45 1.28 -0.78 -0.69 0.00 0.00 174.62 175.30 2k0f h ASP 114 N 7.10 0.51 -1.50 3.53 3.58 -2.02 -2.98 116.42 124.64 2k0f h ASP 114 Ca -0.34 -0.57 0.47 0.00 0.42 0.00 0.00 57.03 57.01 2k0f h ASP 114 Cb 1.18 -0.15 -0.11 0.00 1.72 0.00 0.00 39.33 41.97 2k0f h ASP 114 CO 0.63 1.00 1.01 -0.33 -2.88 0.00 0.00 179.24 178.67 2k0f h GLU 115 N 0.06 0.04 0.00 0.28 3.07 -2.01 -1.94 114.58 114.08 2k0f h GLU 115 Ca -0.00 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2k0f h GLU 115 Cb 0.93 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.82 2k0f h GLU 115 CO 0.07 0.03 -1.04 0.93 -1.40 0.00 0.00 179.01 177.60 2k0f h GLU 116 N 0.04 0.00 -0.09 2.33 5.08 -1.95 -3.18 114.58 116.81 2k0f h GLU 116 Ca 0.85 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 59.03 2k0f h GLU 116 Cb 2.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.17 2k0f h GLU 116 CO -0.29 0.05 -0.69 0.28 -1.00 0.00 0.00 179.01 177.35 2k0f h VAL 117 N 0.00 1.37 -0.57 3.13 2.07 -1.44 0.42 116.25 121.23 2k0f h VAL 117 Ca -0.02 -2.08 -0.04 0.00 0.82 0.00 0.00 66.70 65.38 2k0f h VAL 117 Cb 1.09 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 2k0f h VAL 117 CO 0.01 0.63 0.20 0.44 0.02 0.00 0.00 177.57 178.86 2k0f h ASP 118 N 0.29 0.77 1.81 0.57 3.32 -1.64 -0.06 116.42 121.49 2k0f h ASP 118 Ca -0.02 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2k0f h ASP 118 Cb 1.26 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 2k0f h ASP 118 CO 0.12 0.72 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.96 2k0f h GLU 119 N 0.82 0.00 0.04 3.56 4.39 -1.32 -0.90 114.58 121.17 2k0f h GLU 119 Ca 0.19 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.67 2k0f h GLU 119 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2k0f h GLU 119 CO -0.01 0.07 -1.01 0.52 -1.16 0.00 0.00 179.01 177.42 2k0f h MET 120 N 0.00 0.21 -0.25 2.33 2.86 -0.79 -3.07 114.93 116.22 2k0f h MET 120 Ca -0.00 -0.28 -0.17 0.00 -2.06 0.00 0.00 59.70 57.19 2k0f h MET 120 Cb 0.99 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 2k0f h MET 120 CO 0.01 1.05 -0.53 0.82 1.06 0.00 0.00 176.91 179.32 2k0f h ILE 121 N 0.09 1.30 -0.82 -1.22 1.08 -0.44 -2.78 117.51 114.71 2k0f h ILE 121 Ca -0.07 -1.74 0.06 0.00 -0.39 0.00 0.00 64.86 62.71 2k0f h ILE 121 Cb 1.69 1.67 -0.05 0.00 -3.07 0.00 0.00 36.82 37.06 2k0f h ILE 121 CO 0.16 0.56 0.54 -0.09 -0.69 0.00 0.00 178.15 178.62 2k0f h ARG 122 N 0.56 0.91 0.09 2.37 1.12 -1.22 -1.57 114.38 116.65 2k0f h ARG 122 Ca 0.02 -0.05 -0.27 0.00 -1.11 0.00 0.00 59.98 58.57 2k0f h ARG 122 Cb 1.11 -0.21 0.03 0.00 -0.01 0.00 0.00 29.97 30.89 2k0f h ARG 122 CO 0.11 0.60 -1.09 1.05 -3.11 0.00 0.00 179.97 177.53 2k0f h GLU 123 N 0.94 0.58 -0.21 0.20 4.11 -1.56 -3.37 114.58 115.28 2k0f h GLU 123 Ca 0.35 -0.75 -0.11 0.00 0.07 0.00 0.00 59.36 58.93 2k0f h GLU 123 Cb 0.17 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 123 CO -0.12 1.33 -0.28 0.00 0.07 0.00 0.00 179.01 180.01 2k0f h ALA 124 N 0.28 0.32 -2.48 1.06 0.00 -1.12 -3.44 119.26 113.89 2k0f h ALA 124 Ca -0.16 -0.40 -0.54 0.00 0.00 0.00 0.00 54.91 53.81 2k0f h ALA 124 Cb 1.79 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 19.56 2k0f h ALA 124 CO 0.21 0.32 1.06 -3.47 0.00 0.00 0.00 179.25 177.37 2k0f n ASP 125 N -4.35 3.92 -0.04 0.00 2.03 -0.65 -4.74 116.55 112.72 2k0f n ASP 125 Ca -0.05 1.01 -0.02 0.00 0.52 0.00 0.00 54.79 56.25 2k0f n ASP 125 Cb 0.46 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.32 2k0f n ASP 125 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2k0f h ILE 126 N 4.43 0.00 -0.50 5.18 1.08 -1.89 -3.44 117.51 122.37 2k0f h ILE 126 Ca -0.46 -0.57 0.01 0.00 -0.39 0.00 0.00 64.86 63.45 2k0f h ILE 126 Cb 1.22 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 2k0f h ILE 126 CO 0.94 0.00 0.32 -2.24 -0.69 0.00 0.00 178.15 176.49 2k0f h ASP 127 N -0.57 0.55 0.00 1.72 3.04 -1.96 -3.47 116.42 115.73 2k0f h ASP 127 Ca 0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2k0f h ASP 127 Cb 0.22 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.38 2k0f h ASP 127 CO 0.00 0.40 0.00 0.61 -2.04 0.00 0.00 179.24 178.21 2k0f n GLY 128 N -1.23 1.08 0.18 7.15 0.00 -1.26 -5.00 105.19 106.11 2k0f n GLY 128 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.00 0.00 1.61 3.04 -1.97 -3.46 116.42 115.64 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2k0f n GLY 130 N 0.81 2.10 3.55 7.15 0.00 -1.26 -5.00 105.19 112.53 2k0f n GLY 130 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.64 3.65 -0.46 1.61 -0.21 -1.26 -4.57 119.66 117.78 2k0f s GLN 131 Ca 0.00 -0.53 -0.28 0.00 0.02 0.00 0.00 55.36 54.57 2k0f s GLN 131 Cb 0.00 -3.74 0.03 0.00 1.00 0.00 0.00 33.01 30.29 2k0f s GLN 131 CO 0.00 -0.35 1.09 0.08 -2.12 0.00 0.00 175.29 173.99 2k0f s VAL 132 N 1.73 4.29 0.69 1.09 1.01 0.05 -4.74 120.40 124.52 2k0f s VAL 132 Ca 0.06 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.20 2k0f s VAL 132 Cb -0.17 -4.55 0.14 0.00 0.00 0.00 0.00 36.38 31.80 2k0f s VAL 132 CO 0.10 -0.92 0.95 -0.46 0.00 0.00 0.00 175.10 174.77 2k0f n ASN 133 N 7.61 0.93 -0.36 3.32 0.23 -1.26 0.41 115.26 126.14 2k0f n ASN 133 Ca 0.11 -1.86 0.03 0.00 -0.53 0.00 0.00 54.58 52.33 2k0f n ASN 133 Cb 0.49 -0.65 0.18 0.00 -2.08 0.00 0.00 39.78 37.72 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 -0.84 1.15 -0.38 -2.53 3.20 -1.97 -1.11 116.97 114.48 2k0f h TYR 134 Ca -0.31 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.58 2k0f h TYR 134 Cb 1.07 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2k0f h TYR 134 CO 0.00 0.56 0.20 1.49 -1.64 0.00 0.00 178.16 178.77 2k0f h GLU 135 N 1.10 0.53 -0.97 1.82 4.81 -1.95 -1.31 114.58 118.62 2k0f h GLU 135 Ca 0.43 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.65 2k0f h GLU 135 Cb 0.23 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 2k0f h GLU 135 CO -0.19 0.45 0.63 0.93 -0.73 0.00 0.00 179.01 180.10 2k0f h GLU 136 N 0.48 1.13 -0.44 1.92 5.08 -1.86 -2.67 114.58 118.22 2k0f h GLU 136 Ca 0.13 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 136 Cb 0.08 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2k0f h GLU 136 CO -0.02 0.75 0.06 0.35 -1.00 0.00 0.00 179.01 179.15 2k0f h PHE 137 N 1.17 0.78 -0.12 4.33 3.04 -0.59 -2.65 116.94 122.91 2k0f h PHE 137 Ca 0.40 -0.12 -0.13 0.00 3.98 0.00 0.00 57.97 62.10 2k0f h PHE 137 Cb 0.10 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.40 2k0f h PHE 137 CO -0.00 0.75 -0.45 0.28 -2.02 0.00 0.00 178.31 176.87 2k0f h VAL 138 N 0.59 1.36 0.00 1.41 2.07 -1.17 -3.09 116.25 117.43 2k0f h VAL 138 Ca 0.13 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 2k0f h VAL 138 Cb 0.40 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2k0f h VAL 138 CO 0.01 0.53 -0.03 -0.61 0.02 0.00 0.00 177.57 177.49 2k0f h GLN 139 N 0.12 0.00 -0.70 1.57 4.15 -1.49 0.24 115.11 119.01 2k0f h GLN 139 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.40 2k0f h GLN 139 Cb 1.08 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 2k0f h GLN 139 CO 0.10 0.03 0.46 1.98 -1.93 0.00 0.00 178.83 179.47 2k0f h MET 140 N 0.00 0.92 0.00 1.69 4.05 -1.38 -3.34 114.93 116.87 2k0f h MET 140 Ca -0.00 -0.06 -0.27 0.00 -0.28 0.00 0.00 59.70 59.09 2k0f h MET 140 Cb 0.37 -0.21 -0.05 0.00 -0.80 0.00 0.00 31.60 30.91 2k0f h MET 140 CO 0.00 0.61 -1.78 -1.33 0.23 0.00 0.00 176.91 174.65 2k0f n MET 141 N -4.60 0.64 0.00 0.39 2.81 0.01 -5.12 117.12 111.25 2k0f n MET 141 Ca 0.06 0.22 0.15 0.00 -1.81 0.00 0.00 57.70 56.32 2k0f n MET 141 Cb 0.02 -1.74 0.92 0.00 -0.71 0.00 0.00 33.22 31.71 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73