#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.00 -0.63 -0.78 9.09 -2.06 -2.47 114.58 117.73 2k0f h GLU 2 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 2k0f h GLU 2 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 2k0f h GLU 2 CO 0.00 0.24 0.04 1.49 0.05 0.00 0.00 179.01 180.84 2k0f h GLU 3 N 0.00 1.08 -0.40 1.06 4.81 -2.05 -0.34 114.58 118.74 2k0f h GLU 3 Ca -0.00 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 2k0f h GLU 3 Cb 0.59 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 3 CO 0.03 1.03 -0.02 0.37 -0.73 0.00 0.00 179.01 179.69 2k0f h GLN 4 N 1.00 0.66 -0.17 1.92 4.15 -1.92 -2.76 115.11 117.99 2k0f h GLN 4 Ca 0.19 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 2k0f h GLN 4 Cb 0.51 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2k0f h GLN 4 CO 0.02 0.69 -0.29 0.82 -1.93 0.00 0.00 178.83 178.14 2k0f h ILE 5 N 0.62 1.35 -0.97 2.39 2.04 -0.96 -3.06 117.51 118.91 2k0f h ILE 5 Ca 0.12 -1.53 0.10 0.00 1.00 0.00 0.00 64.86 64.56 2k0f h ILE 5 Cb 0.41 1.93 -0.08 0.00 -0.74 0.00 0.00 36.82 38.35 2k0f h ILE 5 CO 0.02 0.46 0.62 0.00 0.00 0.00 0.00 178.15 179.25 2k0f h ALA 6 N 0.58 1.54 -0.07 1.87 0.00 -1.07 -0.12 119.26 121.98 2k0f h ALA 6 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 6 Cb 0.87 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2k0f h ALA 6 CO 0.07 0.25 -0.26 1.49 0.00 0.00 0.00 179.25 180.80 2k0f h GLU 7 N 1.00 0.12 0.12 0.00 4.81 -1.51 0.11 114.58 119.22 2k0f h GLU 7 Ca 0.46 -0.04 -0.33 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 7 Cb 0.41 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 7 CO -0.22 0.37 -1.76 0.35 -0.73 0.00 0.00 179.01 177.02 2k0f h PHE 8 N 0.11 0.45 -0.19 0.92 3.57 -1.28 -3.26 116.94 117.27 2k0f h PHE 8 Ca 0.02 -0.33 -0.18 0.00 3.53 0.00 0.00 57.97 61.01 2k0f h PHE 8 Cb 0.52 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2k0f h PHE 8 CO 0.00 1.53 -0.62 -0.22 -2.23 0.00 0.00 178.31 176.77 2k0f h LYS 9 N 0.07 0.65 -0.67 1.11 3.64 -0.86 -0.44 116.57 120.06 2k0f h LYS 9 Ca -0.33 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 58.55 2k0f h LYS 9 Cb 2.04 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.90 2k0f h LYS 9 CO 0.13 1.07 0.21 1.49 -2.27 0.00 0.00 179.45 180.08 2k0f h GLU 10 N 0.48 1.02 -0.20 1.90 4.81 -0.95 -2.51 114.58 119.12 2k0f h GLU 10 Ca -0.01 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 2k0f h GLU 10 Cb 1.20 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2k0f h GLU 10 CO 0.12 0.87 -0.28 0.00 -0.73 0.00 0.00 179.01 178.99 2k0f h ALA 11 N 1.24 1.14 -0.71 2.92 0.00 -1.58 -3.04 119.26 119.23 2k0f h ALA 11 Ca 0.22 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 11 Cb 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2k0f h ALA 11 CO -0.01 0.55 0.47 0.35 0.00 0.00 0.00 179.25 180.60 2k0f h PHE 12 N 0.35 0.82 -0.04 0.00 3.57 -0.75 -1.84 116.94 119.05 2k0f h PHE 12 Ca 0.05 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.58 2k0f h PHE 12 Cb 0.68 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2k0f h PHE 12 CO 0.02 0.48 0.08 0.77 -2.23 0.00 0.00 178.31 177.43 2k0f h SER 13 N 0.85 0.00 -0.69 0.41 0.02 -1.34 -1.33 113.55 111.47 2k0f h SER 13 Ca 0.28 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 2k0f h SER 13 Cb 0.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2k0f h SER 13 CO -0.08 0.00 0.24 -0.07 -1.14 0.00 0.00 176.83 175.78 2k0f h LEU 14 N 0.00 0.98 0.14 5.07 3.38 -1.38 -3.33 115.31 120.18 2k0f h LEU 14 Ca 0.02 -0.19 -0.35 0.00 0.09 0.00 0.00 57.88 57.45 2k0f h LEU 14 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k0f h LEU 14 CO -0.00 0.91 -1.85 -0.26 0.09 0.00 0.00 178.44 177.33 2k0f h PHE 15 N 1.00 0.55 -3.64 1.13 0.04 -1.38 -3.44 116.94 111.21 2k0f h PHE 15 Ca 0.23 -0.40 -0.61 0.00 2.80 0.00 0.00 57.97 59.99 2k0f h PHE 15 Cb 0.26 -0.02 -0.11 0.00 2.20 0.00 0.00 35.95 38.28 2k0f h PHE 15 CO 0.02 1.67 0.52 0.34 -0.60 0.00 0.00 178.31 180.26 2k0f s ASP 16 N -7.09 6.49 0.09 2.17 2.15 -0.74 -4.19 116.67 115.55 2k0f s ASP 16 Ca -0.18 0.10 0.27 0.00 0.43 0.00 0.00 52.55 53.18 2k0f s ASP 16 Cb 0.06 -2.43 0.92 0.00 -0.30 0.00 0.00 42.92 41.17 2k0f s ASP 16 CO 0.81 -0.99 1.76 0.29 -0.17 0.00 0.00 175.17 176.88 2k0f n LYS 17 N 7.00 0.13 -0.02 4.34 4.76 -1.26 -4.20 118.16 128.90 2k0f n LYS 17 Ca 0.05 0.09 -0.01 0.00 -2.87 0.00 0.00 58.31 55.57 2k0f n LYS 17 Cb 0.48 -1.63 -0.00 0.00 -1.84 0.00 0.00 35.03 32.04 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 -1.84 0.54 0.00 4.39 8.00 -1.26 -5.02 116.55 121.35 2k0f n ASP 18 Ca 0.06 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.92 2k0f n ASP 18 Cb 0.38 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 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 1.70 1.72 0.13 0.44 0.00 -1.26 -5.05 105.19 102.88 2k0f n GLY 19 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 1.94 0.00 1.61 5.75 -1.26 -5.03 116.55 119.56 2k0f n ASP 20 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 2k0f n ASP 20 Cb 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 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 1.28 0.75 3.05 6.12 0.00 -1.26 -5.10 105.19 110.03 2k0f n GLY 21 Ca -0.51 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N 0.00 1.87 -0.24 2.61 2.01 -1.26 -2.08 115.64 118.55 2k0f s THR 22 Ca 0.00 -1.10 -0.26 0.00 0.31 0.00 0.00 61.69 60.64 2k0f s THR 22 Cb 0.00 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.64 2k0f s THR 22 CO 0.00 0.25 0.90 -0.63 -0.69 0.00 0.00 174.62 174.45 2k0f s ILE 23 N 1.31 4.78 0.53 1.82 1.01 -0.42 -4.93 121.20 125.29 2k0f s ILE 23 Ca -0.01 1.73 0.04 0.00 0.00 0.00 0.00 60.65 62.41 2k0f s ILE 23 Cb -0.16 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.17 2k0f s ILE 23 CO -0.09 -0.11 0.74 0.42 0.00 0.00 0.00 174.94 175.90 2k0f s THR 24 N 2.96 2.67 -0.44 2.92 -4.23 -1.26 -3.16 115.64 115.10 2k0f s THR 24 Ca 0.38 -0.78 0.26 0.00 -1.18 0.00 0.00 61.69 60.37 2k0f s THR 24 Cb -0.15 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.08 2k0f s THR 24 CO 0.07 0.00 1.76 0.71 -0.54 0.00 0.00 174.62 176.62 2k0f h THR 25 N 0.18 0.00 0.13 3.99 1.35 -1.97 -1.80 112.91 114.78 2k0f h THR 25 Ca -0.40 -0.36 -0.22 0.00 -0.55 0.00 0.00 66.41 64.88 2k0f h THR 25 Cb 1.29 1.20 0.02 0.00 -1.73 0.00 0.00 68.15 68.93 2k0f h THR 25 CO 0.48 0.00 -0.93 0.11 -0.25 0.00 0.00 175.52 174.93 2k0f h LYS 26 N 0.00 0.40 0.22 4.72 1.57 -1.95 0.50 116.57 122.03 2k0f h LYS 26 Ca 0.00 -0.60 0.01 0.00 -1.87 0.00 0.00 60.65 58.18 2k0f h LYS 26 Cb 0.49 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 2k0f h LYS 26 CO 0.00 1.26 -0.31 0.93 -0.57 0.00 0.00 179.45 180.77 2k0f h GLU 27 N -0.15 -0.57 0.05 3.15 5.08 -1.76 0.60 114.58 120.98 2k0f h GLU 27 Ca -0.15 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2k0f h GLU 27 Cb 1.69 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 2k0f h GLU 27 CO 0.18 -0.38 -0.11 1.25 -1.00 0.00 0.00 179.01 178.94 2k0f h LEU 28 N -0.59 -0.32 -0.75 1.33 5.85 -1.48 -3.25 115.31 116.10 2k0f h LEU 28 Ca 0.01 0.04 0.16 0.00 0.84 0.00 0.00 57.88 58.93 2k0f h LEU 28 Cb 0.57 0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.59 2k0f h LEU 28 CO -0.12 -0.17 -0.08 1.23 -0.34 0.00 0.00 178.44 178.96 2k0f h GLY 29 N -0.22 0.71 -0.21 3.75 0.00 -0.64 -2.93 103.07 103.52 2k0f h GLY 29 Ca 0.03 0.17 0.13 0.00 0.00 0.00 0.00 47.33 47.66 2k0f h GLY 29 CO -0.08 -0.29 -0.08 -0.84 0.00 0.00 0.00 176.54 175.25 2k0f h THR 30 N 0.05 0.40 -0.09 4.70 2.02 0.18 0.30 112.91 120.48 2k0f h THR 30 Ca 0.39 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.55 2k0f h THR 30 Cb 0.66 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2k0f h THR 30 CO -0.71 0.01 0.05 0.58 0.37 0.00 0.00 175.52 175.82 2k0f h VAL 31 N 0.05 1.06 0.78 3.16 2.07 -1.61 -1.23 116.25 120.53 2k0f h VAL 31 Ca 0.32 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 2k0f h VAL 31 Cb 0.52 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2k0f h VAL 31 CO -0.61 0.05 -0.42 0.24 0.02 0.00 0.00 177.57 176.85 2k0f h MET 32 N 0.08 -1.06 -0.37 1.57 2.86 -1.29 -2.53 114.93 114.19 2k0f h MET 32 Ca 0.03 0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.85 2k0f h MET 32 Cb 0.03 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2k0f h MET 32 CO -0.01 -0.71 0.43 -0.09 1.06 0.00 0.00 176.91 177.60 2k0f h ARG 33 N -1.10 0.00 0.00 1.72 2.43 -0.43 -1.92 114.38 115.07 2k0f h ARG 33 Ca -0.11 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.95 2k0f h ARG 33 Cb 0.86 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2k0f h ARG 33 CO 0.15 0.00 -0.93 0.77 -1.51 0.00 0.00 179.97 178.45 2k0f h SER 34 N 0.00 0.00 -0.01 -3.80 0.02 -0.98 -3.37 113.55 105.41 2k0f h SER 34 Ca 0.18 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2k0f h SER 34 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2k0f h SER 34 CO -0.00 0.46 -0.12 0.25 -1.14 0.00 0.00 176.83 176.27 2k0f h LEU 35 N 0.00 0.12 0.00 5.07 5.85 -0.93 -3.43 115.31 121.99 2k0f h LEU 35 Ca -0.07 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.91 2k0f h LEU 35 Cb 1.41 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.41 2k0f h LEU 35 CO 0.05 0.85 0.00 0.61 -0.34 0.00 0.00 178.44 179.60 2k0f n GLY 36 N 0.93 1.15 3.35 3.75 0.00 -1.05 -4.98 105.19 108.34 2k0f n GLY 36 Ca -0.09 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2k0f n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k0f n GLN 37 N 0.00 -0.84 -3.73 1.61 10.64 -1.24 -4.91 117.38 118.91 2k0f n GLN 37 Ca 0.00 -0.21 -0.36 0.00 -1.83 0.00 0.00 57.00 54.60 2k0f n GLN 37 Cb 0.00 -1.77 -0.09 0.00 -0.86 0.00 0.00 30.24 27.52 2k0f n GLN 37 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2k0f s ASN 38 N -1.92 6.01 -0.77 2.61 2.47 -1.26 -3.75 114.94 118.33 2k0f s ASN 38 Ca 0.56 0.11 -0.26 0.00 0.42 0.00 0.00 52.86 53.69 2k0f s ASN 38 Cb -0.17 -2.07 0.02 0.00 -1.45 0.00 0.00 41.25 37.58 2k0f s ASN 38 CO 0.67 0.09 1.42 -2.16 -3.72 0.00 0.00 177.10 173.41 2k0f s PRO 39 N 0.87 3.15 -0.18 0.43 0.04 -1.26 -4.98 135.00 133.07 2k0f s PRO 39 Ca 0.07 -0.26 -0.27 0.00 0.04 0.00 0.00 61.00 60.58 2k0f s PRO 39 Cb -0.13 -4.43 -0.01 0.00 0.04 0.00 0.00 34.50 29.97 2k0f s PRO 39 CO 0.03 -2.29 0.92 0.95 0.04 0.00 0.00 177.00 176.65 2k0f s THR 40 N 6.28 4.80 -0.05 1.26 -4.23 -1.26 -4.92 115.64 117.52 2k0f s THR 40 Ca 0.43 1.81 -0.22 0.00 -1.18 0.00 0.00 61.69 62.53 2k0f s THR 40 Cb -0.07 -4.22 -0.29 0.00 1.34 0.00 0.00 72.50 69.26 2k0f s THR 40 CO 0.11 -0.05 0.93 -0.33 -0.54 0.00 0.00 174.62 174.75 2k0f h GLU 41 N 7.36 0.28 0.32 3.99 5.08 -1.98 -0.75 114.58 128.89 2k0f h GLU 41 Ca -0.26 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.66 2k0f h GLU 41 Cb 1.11 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k0f h GLU 41 CO 0.88 1.17 -0.15 0.00 -1.00 0.00 0.00 179.01 179.91 2k0f h ALA 42 N 0.13 -0.42 -0.97 3.43 0.00 -1.99 0.58 119.26 120.02 2k0f h ALA 42 Ca -0.11 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 42 Cb 1.46 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 2k0f h ALA 42 CO 0.12 -0.68 0.53 0.93 0.00 0.00 0.00 179.25 180.15 2k0f h GLU 43 N -0.54 0.47 -0.36 0.00 5.08 -1.98 -2.01 114.58 115.25 2k0f h GLU 43 Ca -0.04 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2k0f h GLU 43 Cb 0.40 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 43 CO 0.07 0.31 -0.00 1.25 -1.00 0.00 0.00 179.01 179.64 2k0f h LEU 44 N 0.49 0.62 -2.06 1.33 5.85 -0.31 -2.40 115.31 118.83 2k0f h LEU 44 Ca 0.64 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 59.12 2k0f h LEU 44 Cb 1.25 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2k0f h LEU 44 CO -0.51 0.78 0.20 -0.61 -0.34 0.00 0.00 178.44 177.95 2k0f h GLN 45 N 0.45 0.00 -0.06 1.25 4.15 -0.58 -3.13 115.11 117.20 2k0f h GLN 45 Ca 0.10 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.34 2k0f h GLN 45 Cb 0.46 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2k0f h GLN 45 CO 0.02 0.00 -0.75 0.22 -1.93 0.00 0.00 178.83 176.39 2k0f h ASP 46 N 0.00 0.41 -0.64 -0.69 3.58 -0.85 -0.40 116.42 117.83 2k0f h ASP 46 Ca 0.12 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.30 2k0f h ASP 46 Cb 0.51 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 2k0f h ASP 46 CO -0.00 1.02 0.42 -0.03 -2.88 0.00 0.00 179.24 177.76 2k0f h MET 47 N 0.23 0.82 -0.16 0.28 4.05 -1.48 -2.61 114.93 116.05 2k0f h MET 47 Ca -0.03 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.26 2k0f h MET 47 Cb 1.32 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 2k0f h MET 47 CO 0.12 0.54 -0.22 0.82 0.23 0.00 0.00 176.91 178.40 2k0f h ILE 48 N 0.84 1.35 -0.29 1.77 2.04 -1.24 -2.87 117.51 119.11 2k0f h ILE 48 Ca 0.24 -1.43 0.08 0.00 1.00 0.00 0.00 64.86 64.75 2k0f h ILE 48 Cb -0.07 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2k0f h ILE 48 CO -0.06 0.43 0.22 0.78 0.00 0.00 0.00 178.15 179.52 2k0f h ASN 49 N 0.07 0.00 -0.01 1.72 2.35 -1.17 0.34 115.58 118.89 2k0f h ASN 49 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2k0f h ASN 49 Cb 0.79 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 2k0f h ASN 49 CO 0.05 0.00 0.00 -0.08 -1.65 0.00 0.00 177.43 175.76 2k0f h GLU 50 N 0.00 0.01 -0.36 0.81 4.81 -1.24 -3.25 114.58 115.36 2k0f h GLU 50 Ca 0.14 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2k0f h GLU 50 Cb 0.58 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2k0f h GLU 50 CO -0.00 0.13 0.00 1.33 -0.73 0.00 0.00 179.01 179.74 2k0f n VAL 51 N -5.03 0.71 -1.63 0.32 0.24 -0.93 -4.81 118.33 107.20 2k0f n VAL 51 Ca -0.07 -0.86 -0.33 0.00 -2.04 0.00 0.00 64.34 61.04 2k0f n VAL 51 Cb 0.08 0.74 -0.04 0.00 -1.47 0.00 0.00 33.84 33.16 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -1.10 4.47 0.06 -1.34 2.15 0.12 -4.83 116.67 116.19 2k0f s ASP 52 Ca 0.29 0.79 -0.13 0.00 0.43 0.00 0.00 52.55 53.94 2k0f s ASP 52 Cb 0.16 -2.51 -0.29 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 52 CO 0.22 -2.97 1.10 0.00 -0.17 0.00 0.00 175.17 173.35 2k0f h ALA 53 N 17.82 -0.00 -0.15 3.66 0.00 -1.88 -3.38 119.26 135.33 2k0f h ALA 53 Ca -0.20 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2k0f h ALA 53 Cb 1.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k0f h ALA 53 CO 1.15 0.74 0.00 -0.40 0.00 0.00 0.00 179.25 180.74 2k0f n ASP 54 N -3.73 0.00 0.00 0.00 5.68 -1.26 -5.02 116.55 112.22 2k0f n ASP 54 Ca -0.13 0.75 0.00 0.00 -0.50 0.00 0.00 54.79 54.91 2k0f n ASP 54 Cb 1.01 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N 0.38 0.18 0.05 6.12 0.00 -1.26 -5.04 105.19 105.62 2k0f n GLY 55 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.28 -1.11 1.61 0.23 -1.26 -4.90 115.26 110.11 2k0f n ASN 56 Ca 0.00 0.55 -0.08 0.00 -0.53 0.00 0.00 54.58 54.52 2k0f n ASN 56 Cb 0.00 -0.62 0.01 0.00 -2.08 0.00 0.00 39.78 37.09 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 0.55 0.13 2.89 4.83 0.00 -1.26 -5.05 105.19 107.28 2k0f n GLY 57 Ca 0.04 -0.49 -0.13 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 -2.59 -0.02 -0.17 2.61 -4.23 -1.26 -4.78 115.64 105.20 2k0f s THR 58 Ca 0.06 0.07 -0.27 0.00 -1.18 0.00 0.00 61.69 60.36 2k0f s THR 58 Cb -0.03 -0.09 -0.01 0.00 1.34 0.00 0.00 72.50 73.72 2k0f s THR 58 CO 0.07 0.03 0.94 -0.51 -0.54 0.00 0.00 174.62 174.61 2k0f s ILE 59 N 0.38 4.80 0.69 2.99 2.07 -1.19 -4.90 121.20 126.04 2k0f s ILE 59 Ca -0.03 1.85 -0.00 0.00 -1.41 0.00 0.00 60.65 61.05 2k0f s ILE 59 Cb -0.04 -4.23 0.11 0.00 0.13 0.00 0.00 42.46 38.43 2k0f s ILE 59 CO -0.01 -0.04 0.96 -1.81 -1.91 0.00 0.00 174.94 172.12 2k0f s ASP 60 N 1.17 4.52 0.06 4.50 1.01 -1.26 -1.31 116.67 125.36 2k0f s ASP 60 Ca 0.42 -0.30 -0.24 0.00 0.71 0.00 0.00 52.55 53.15 2k0f s ASP 60 Cb -0.17 -0.17 -0.11 0.00 1.01 0.00 0.00 42.92 43.49 2k0f s ASP 60 CO 0.12 -1.73 1.37 0.15 0.21 0.00 0.00 175.17 175.29 2k0f h PHE 61 N -0.42 -0.98 0.00 4.23 3.57 -1.83 -1.43 116.94 120.08 2k0f h PHE 61 Ca -0.37 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.14 2k0f h PHE 61 Cb 1.27 0.40 0.00 0.00 2.79 0.00 0.00 35.95 40.41 2k0f h PHE 61 CO -0.08 -0.43 0.00 -0.35 -2.23 0.00 0.00 178.31 175.22 2k0f n PRO 62 N -4.45 0.23 -0.11 6.41 -0.04 -1.26 -1.17 135.00 134.60 2k0f n PRO 62 Ca -0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.25 2k0f n PRO 62 Cb 0.30 -1.47 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0f n GLU 63 N -0.97 0.70 -0.14 0.54 1.02 -0.97 -2.99 120.64 117.84 2k0f n GLU 63 Ca 0.05 0.10 -0.08 0.00 -0.02 0.00 0.00 57.16 57.20 2k0f n GLU 63 Cb 0.02 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N 0.00 0.57 0.16 -0.32 3.04 -0.99 -2.81 116.94 116.59 2k0f h PHE 64 Ca -0.51 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.44 2k0f h PHE 64 Cb 1.88 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 40.19 2k0f h PHE 64 CO 0.02 0.42 -0.19 1.25 -2.02 0.00 0.00 178.31 177.80 2k0f h LEU 65 N 0.55 -0.51 -1.41 0.59 5.85 -1.28 -1.61 115.31 117.49 2k0f h LEU 65 Ca 0.15 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2k0f h LEU 65 Cb 0.04 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2k0f h LEU 65 CO -0.03 -0.28 0.42 0.74 -0.34 0.00 0.00 178.44 178.96 2k0f h THR 66 N -0.39 1.12 -0.35 1.05 2.02 -1.56 -0.30 112.91 114.50 2k0f h THR 66 Ca 0.01 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2k0f h THR 66 Cb 0.38 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2k0f h THR 66 CO -0.06 0.14 0.20 -0.03 0.37 0.00 0.00 175.52 176.14 2k0f h MET 67 N 0.79 0.49 0.00 6.66 1.85 -1.22 -3.08 114.93 120.42 2k0f h MET 67 Ca 0.24 -0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 59.21 2k0f h MET 67 Cb 0.00 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 31.92 2k0f h MET 67 CO -0.06 0.40 -0.31 0.52 -0.40 0.00 0.00 176.91 177.06 2k0f h MET 68 N 0.45 0.00 -0.01 0.39 2.07 -0.98 -3.19 114.93 113.66 2k0f h MET 68 Ca 0.12 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 2k0f h MET 68 Cb 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.78 2k0f h MET 68 CO -0.02 0.31 -0.02 0.00 1.07 0.00 0.00 176.91 178.25 2k0f n ALA 69 N -2.18 2.63 -2.02 6.32 0.00 -0.15 -4.85 120.51 120.26 2k0f n ALA 69 Ca 0.03 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 2k0f n ALA 69 Cb 0.65 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.05 4.35 -0.35 0.00 3.52 -1.17 -5.01 118.95 118.24 2k0f s ARG 70 Ca 0.37 2.11 -0.25 0.00 -0.13 0.00 0.00 55.73 57.83 2k0f s ARG 70 Cb 0.21 -3.19 0.01 0.00 -1.56 0.00 0.00 34.95 30.42 2k0f s ARG 70 CO 0.36 -0.33 0.85 0.21 -0.81 0.00 0.00 175.30 175.58 2k0f s LYS 71 N 0.17 3.85 0.22 5.12 2.47 -1.26 -5.07 119.74 125.23 2k0f s LYS 71 Ca 0.59 0.51 -0.25 0.00 -1.56 0.00 0.00 55.97 55.27 2k0f s LYS 71 Cb -0.38 -3.79 -0.09 0.00 -1.46 0.00 0.00 37.83 32.12 2k0f s LYS 71 CO 0.37 -0.85 0.81 -1.64 0.16 0.00 0.00 175.35 174.20 2k0f s MET 72 N 3.24 4.52 1.28 4.03 -1.94 -1.26 -5.09 119.30 124.08 2k0f s MET 72 Ca 0.35 1.15 -0.21 0.00 -1.71 0.00 0.00 55.69 55.27 2k0f s MET 72 Cb -0.13 -3.07 0.32 0.00 2.01 0.00 0.00 34.83 33.96 2k0f s MET 72 CO 0.16 0.46 0.99 1.63 -0.01 0.00 0.00 175.02 178.26 2k0f n LYS 73 N 1.15 -3.68 0.14 2.03 5.02 -1.26 -4.70 118.16 116.86 2k0f n LYS 73 Ca -0.03 -1.61 0.02 0.00 -2.02 0.00 0.00 58.31 54.67 2k0f n LYS 73 Cb 0.49 -1.68 0.10 0.00 -0.02 0.00 0.00 35.03 33.92 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2k0f h ASP 74 N -2.99 0.00 0.08 4.39 3.32 -1.98 -0.94 116.42 118.30 2k0f h ASP 74 Ca -0.40 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.42 2k0f h ASP 74 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2k0f h ASP 74 CO 0.25 0.54 -1.23 0.74 -1.72 0.00 0.00 179.24 177.82 2k0f h THR 75 N 0.00 1.09 -0.19 0.35 2.02 -2.00 -3.13 112.91 111.05 2k0f h THR 75 Ca -0.01 -2.35 0.05 0.00 0.77 0.00 0.00 66.41 64.87 2k0f h THR 75 Cb 1.30 2.70 -0.07 0.00 -1.74 0.00 0.00 68.15 70.33 2k0f h THR 75 CO 0.07 0.62 -0.40 0.44 0.37 0.00 0.00 175.52 176.63 2k0f h ASP 76 N -0.50 -1.26 -0.67 4.18 3.32 -1.94 -2.86 116.42 116.69 2k0f h ASP 76 Ca -0.28 0.18 0.07 0.00 0.02 0.00 0.00 57.03 57.02 2k0f h ASP 76 Cb 1.60 0.53 -0.06 0.00 0.22 0.00 0.00 39.33 41.61 2k0f h ASP 76 CO 0.00 -0.40 0.35 0.28 -1.72 0.00 0.00 179.24 177.75 2k0f h SER 77 N -0.43 0.48 0.63 6.45 0.02 -1.26 -1.81 113.55 117.62 2k0f h SER 77 Ca 0.10 0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 60.91 2k0f h SER 77 Cb 0.60 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2k0f h SER 77 CO -0.43 0.30 -0.83 -0.08 -1.14 0.00 0.00 176.83 174.65 2k0f h GLU 78 N 0.62 0.14 -0.22 3.45 4.57 -1.44 -2.52 114.58 119.17 2k0f h GLU 78 Ca 0.31 -0.15 -0.14 0.00 -1.18 0.00 0.00 59.36 58.21 2k0f h GLU 78 Cb 0.27 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2k0f h GLU 78 CO -0.22 0.89 -0.44 0.93 -1.18 0.00 0.00 179.01 178.98 2k0f h GLU 79 N 0.08 0.56 -0.54 1.92 5.08 -1.27 -0.10 114.58 120.29 2k0f h GLU 79 Ca -0.03 -0.30 0.05 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 79 Cb 1.44 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.66 2k0f h GLU 79 CO 0.12 0.89 0.29 0.93 -1.00 0.00 0.00 179.01 180.24 2k0f h GLU 80 N 0.45 0.54 0.00 2.33 5.08 -1.24 -1.09 114.58 120.65 2k0f h GLU 80 Ca 0.03 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 80 Cb 0.95 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2k0f h GLU 80 CO 0.09 0.35 -0.50 0.82 -1.00 0.00 0.00 179.01 178.77 2k0f h ILE 81 N 0.55 1.04 -0.11 3.13 1.08 -1.24 -0.46 117.51 121.51 2k0f h ILE 81 Ca 0.24 -1.94 -0.12 0.00 -0.39 0.00 0.00 64.86 62.65 2k0f h ILE 81 Cb 0.13 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 2k0f h ILE 81 CO -0.16 0.49 -0.39 0.03 -0.69 0.00 0.00 178.15 177.43 2k0f h ARG 82 N 0.00 0.45 -0.83 2.37 3.08 -0.66 -1.80 114.38 117.00 2k0f h ARG 82 Ca -0.00 -0.35 0.04 0.00 0.07 0.00 0.00 59.98 59.74 2k0f h ARG 82 Cb 1.11 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 2k0f h ARG 82 CO 0.06 0.97 0.53 0.93 -1.07 0.00 0.00 179.97 181.39 2k0f h GLU 83 N 0.03 0.97 -0.89 0.04 4.39 -1.18 -1.79 114.58 116.15 2k0f h GLU 83 Ca -0.02 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 83 Cb 1.02 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.39 2k0f h GLU 83 CO 0.08 0.64 0.58 0.00 -1.16 0.00 0.00 179.01 179.15 2k0f h ALA 84 N 1.36 1.58 0.00 3.43 0.00 -0.97 0.14 119.26 124.80 2k0f h ALA 84 Ca 0.34 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2k0f h ALA 84 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2k0f h ALA 84 CO -0.14 0.26 -0.51 0.35 0.00 0.00 0.00 179.25 179.21 2k0f h PHE 85 N 0.95 0.00 0.00 0.00 3.57 -0.82 -2.61 116.94 118.03 2k0f h PHE 85 Ca 0.40 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 2k0f h PHE 85 Cb 0.30 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2k0f h PHE 85 CO -0.00 0.51 -0.14 -0.09 -2.23 0.00 0.00 178.31 176.36 2k0f h ARG 86 N 0.00 0.00 -0.24 1.11 2.43 -0.17 -0.88 114.38 116.63 2k0f h ARG 86 Ca -0.01 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2k0f h ARG 86 Cb 0.92 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 2k0f h ARG 86 CO 0.07 0.10 0.03 0.28 -1.51 0.00 0.00 179.97 178.94 2k0f h VAL 87 N 0.00 0.87 0.16 0.20 2.07 -0.84 -3.26 116.25 115.44 2k0f h VAL 87 Ca -0.00 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2k0f h VAL 87 Cb 1.08 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2k0f h VAL 87 CO 0.01 0.02 -0.08 -0.26 0.02 0.00 0.00 177.57 177.28 2k0f h PHE 88 N 0.11 -0.22 -1.96 1.57 -1.00 -1.61 -3.44 116.94 110.39 2k0f h PHE 88 Ca 0.11 -0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.32 2k0f h PHE 88 Cb 0.12 0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.76 2k0f h PHE 88 CO -0.17 -0.13 1.51 0.34 -1.61 0.00 0.00 178.31 178.25 2k0f s ASP 89 N -2.36 5.29 -0.20 2.17 2.15 -0.35 -4.83 116.67 118.54 2k0f s ASP 89 Ca -0.03 1.70 -0.16 0.00 0.43 0.00 0.00 52.55 54.49 2k0f s ASP 89 Cb 0.00 -2.51 -0.20 0.00 -0.30 0.00 0.00 42.92 39.92 2k0f s ASP 89 CO 0.10 -2.12 0.14 1.17 -0.17 0.00 0.00 175.17 174.29 2k0f n LYS 90 N 8.80 0.62 0.00 4.34 3.00 -1.26 -4.74 118.16 128.92 2k0f n LYS 90 Ca 0.31 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 59.05 2k0f n LYS 90 Cb 0.47 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.81 2k0f n LYS 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k0f n ASP 91 N -4.11 0.00 0.00 3.14 5.68 -1.26 -5.02 116.55 114.98 2k0f n ASP 91 Ca -0.36 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 2k0f n ASP 91 Cb 0.82 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N 2.17 0.00 0.11 6.12 0.00 -1.26 -5.05 105.19 107.27 2k0f n GLY 92 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.48 115.58 110.69 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 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.60 0.00 0.61 0.07 0.00 0.00 177.43 178.71 2k0f n GLY 94 N 1.34 0.85 2.71 9.14 0.00 -1.26 -5.07 105.19 112.90 2k0f n GLY 94 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.06 0.04 -0.18 1.61 2.02 -1.26 -4.19 117.35 113.33 2k0f s TYR 95 Ca 0.00 0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.63 2k0f s TYR 95 Cb 0.00 -0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.17 2k0f s TYR 95 CO 0.00 -0.16 1.03 0.42 -1.57 0.00 0.00 175.55 175.27 2k0f s ILE 96 N 1.80 4.72 0.42 2.71 1.01 0.25 -4.87 121.20 127.24 2k0f s ILE 96 Ca 0.00 2.03 0.02 0.00 0.00 0.00 0.00 60.65 62.71 2k0f s ILE 96 Cb -0.12 -4.31 -0.00 0.00 0.01 0.00 0.00 42.46 38.03 2k0f s ILE 96 CO -0.03 -0.10 0.62 -0.55 0.00 0.00 0.00 174.94 174.88 2k0f s SER 97 N 1.16 5.83 0.30 3.58 0.15 -1.26 -2.34 113.70 121.13 2k0f s SER 97 Ca 0.46 0.13 0.06 0.00 0.70 0.00 0.00 55.95 57.30 2k0f s SER 97 Cb -0.16 -1.39 0.76 0.00 -1.71 0.00 0.00 66.02 63.51 2k0f s SER 97 CO 0.11 -0.66 1.76 0.00 1.20 0.00 0.00 173.24 175.65 2k0f h ALA 98 N 0.51 1.66 -0.04 5.45 0.00 -1.96 -1.54 119.26 123.33 2k0f h ALA 98 Ca -0.46 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2k0f h ALA 98 Cb 1.26 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 98 CO 0.56 -0.12 -0.40 0.00 0.00 0.00 0.00 179.25 179.28 2k0f h ALA 99 N 1.66 -0.82 0.00 0.00 0.00 -1.98 -2.75 119.26 115.38 2k0f h ALA 99 Ca 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 2k0f h ALA 99 Cb 0.97 0.87 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 2k0f h ALA 99 CO -0.41 -0.95 -0.10 0.93 0.00 0.00 0.00 179.25 178.72 2k0f h GLU 100 N -0.48 0.00 0.30 0.00 5.08 -1.80 -1.34 114.58 116.34 2k0f h GLU 100 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 100 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2k0f h GLU 100 CO -0.29 0.10 -0.14 1.25 -1.00 0.00 0.00 179.01 178.93 2k0f h LEU 101 N 0.00 -0.34 -0.39 1.33 5.85 -1.22 -3.13 115.31 117.42 2k0f h LEU 101 Ca -0.00 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.60 2k0f h LEU 101 Cb 0.23 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 2k0f h LEU 101 CO 0.01 0.08 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.00 2k0f h ARG 102 N -0.83 -0.02 -0.77 1.25 2.43 -1.20 -2.70 114.38 112.54 2k0f h ARG 102 Ca -0.04 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.25 2k0f h ARG 102 Cb 0.52 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.99 2k0f h ARG 102 CO 0.07 -0.01 0.38 0.45 -1.51 0.00 0.00 179.97 179.34 2k0f h HIS 103 N -0.02 0.67 0.19 2.20 3.86 -1.32 -1.96 115.15 118.77 2k0f h HIS 103 Ca 0.19 0.03 -0.32 0.00 -1.16 0.00 0.00 60.37 59.11 2k0f h HIS 103 Cb 0.30 -0.18 0.02 0.00 1.06 0.00 0.00 27.41 28.61 2k0f h HIS 103 CO -0.36 0.20 -1.45 0.28 0.86 0.00 0.00 177.93 177.46 2k0f h VAL 104 N 0.60 1.29 -0.15 2.45 2.07 -1.48 0.37 116.25 121.40 2k0f h VAL 104 Ca 0.40 -2.80 0.04 0.00 0.82 0.00 0.00 66.70 65.16 2k0f h VAL 104 Cb 0.49 2.94 -0.05 0.00 -1.52 0.00 0.00 31.29 33.16 2k0f h VAL 104 CO -0.32 0.84 -0.15 0.24 0.02 0.00 0.00 177.57 178.20 2k0f h MET 105 N 0.11 -0.17 -0.72 1.57 2.07 -1.36 -0.50 114.93 115.94 2k0f h MET 105 Ca -0.23 0.01 -0.05 0.00 -2.07 0.00 0.00 59.70 57.36 2k0f h MET 105 Cb 2.09 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 31.82 2k0f h MET 105 CO 0.23 -0.11 0.24 1.15 1.07 0.00 0.00 176.91 179.49 2k0f h THR 106 N -0.18 1.26 -0.38 2.22 2.02 -1.25 0.33 112.91 116.93 2k0f h THR 106 Ca 0.10 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 2k0f h THR 106 Cb 0.33 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2k0f h THR 106 CO -0.26 0.34 0.20 0.78 0.37 0.00 0.00 175.52 176.96 2k0f h ASN 107 N 1.05 0.48 0.75 4.18 2.35 -0.87 -3.28 115.58 120.24 2k0f h ASN 107 Ca 0.23 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 2k0f h ASN 107 Cb 0.28 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2k0f h ASN 107 CO -0.01 0.44 -0.63 0.25 -1.65 0.00 0.00 177.43 175.82 2k0f h LEU 108 N 0.48 0.00 0.00 1.61 5.85 -0.71 -3.36 115.31 119.19 2k0f h LEU 108 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2k0f h LEU 108 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2k0f h LEU 108 CO -0.02 0.63 0.00 0.61 -0.34 0.00 0.00 178.44 179.32 2k0f n GLY 109 N 0.46 1.92 3.80 3.75 0.00 -0.10 -4.83 105.19 110.18 2k0f n GLY 109 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.21 2.56 0.07 1.61 0.41 0.97 -5.01 118.70 119.10 2k0f s GLU 110 Ca 0.00 -1.41 0.09 0.00 -0.41 0.00 0.00 54.97 53.24 2k0f s GLU 110 Cb 0.00 -2.34 -0.03 0.00 -1.78 0.00 0.00 34.13 29.98 2k0f s GLU 110 CO 0.00 0.10 -0.24 0.21 -0.49 0.00 0.00 175.26 174.84 2k0f s LYS 111 N -3.93 1.51 -0.07 1.61 2.47 -1.26 -3.67 119.74 116.41 2k0f s LYS 111 Ca 0.39 -1.11 -0.30 0.00 -1.56 0.00 0.00 55.97 53.39 2k0f s LYS 111 Cb -0.04 -1.74 0.07 0.00 -1.46 0.00 0.00 37.83 34.66 2k0f s LYS 111 CO 0.25 0.44 0.68 -0.48 0.16 0.00 0.00 175.35 176.39 2k0f s LEU 112 N -1.46 -0.64 0.57 5.43 2.34 -1.26 -5.03 118.68 118.64 2k0f s LEU 112 Ca 0.10 0.77 0.04 0.00 0.06 0.00 0.00 54.13 55.09 2k0f s LEU 112 Cb -0.10 2.51 0.06 0.00 -0.56 0.00 0.00 46.19 48.10 2k0f s LEU 112 CO 0.03 -0.58 0.79 0.42 -1.06 0.00 0.00 176.35 175.95 2k0f s THR 113 N -1.06 2.51 0.25 5.48 -4.23 -1.26 -4.93 115.64 112.39 2k0f s THR 113 Ca -0.10 -0.77 0.07 0.00 -1.18 0.00 0.00 61.69 59.71 2k0f s THR 113 Cb -0.01 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 2k0f s THR 113 CO 0.09 0.00 1.57 0.44 -0.54 0.00 0.00 174.62 176.18 2k0f h ASP 114 N 0.05 0.14 -0.74 3.99 3.32 -2.02 -0.63 116.42 120.53 2k0f h ASP 114 Ca -0.38 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 56.63 2k0f h ASP 114 Cb 1.28 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 2k0f h ASP 114 CO 0.46 0.73 0.45 -0.08 -1.72 0.00 0.00 179.24 179.08 2k0f h GLU 115 N 0.09 0.82 -0.24 3.56 4.81 -1.98 -0.25 114.58 121.38 2k0f h GLU 115 Ca -0.01 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 58.97 2k0f h GLU 115 Cb 1.13 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2k0f h GLU 115 CO 0.09 0.55 -0.63 1.49 -0.73 0.00 0.00 179.01 179.77 2k0f h GLU 116 N 0.85 0.85 -0.36 1.92 4.81 -1.63 -1.71 114.58 119.32 2k0f h GLU 116 Ca 0.31 -0.59 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 2k0f h GLU 116 Cb 0.10 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2k0f h GLU 116 CO -0.14 1.22 0.09 0.28 -0.73 0.00 0.00 179.01 179.73 2k0f h VAL 117 N 0.63 1.22 -0.49 0.32 2.07 -0.97 -0.24 116.25 118.80 2k0f h VAL 117 Ca -0.01 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 66.84 2k0f h VAL 117 Cb 1.25 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 2k0f h VAL 117 CO 0.14 0.26 0.09 -0.78 0.02 0.00 0.00 177.57 177.29 2k0f h ASP 118 N 0.43 -0.02 -0.47 0.57 3.58 -1.07 -2.60 116.42 116.84 2k0f h ASP 118 Ca 0.11 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 2k0f h ASP 118 Cb 0.30 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2k0f h ASP 118 CO 0.00 0.02 0.15 -0.08 -2.88 0.00 0.00 179.24 176.45 2k0f h GLU 119 N 0.22 0.73 -0.25 0.28 4.81 -0.31 -3.11 114.58 116.95 2k0f h GLU 119 Ca 0.24 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 2k0f h GLU 119 Cb 0.33 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2k0f h GLU 119 CO -0.33 0.69 -0.55 1.98 -0.73 0.00 0.00 179.01 180.08 2k0f h MET 120 N 0.63 0.81 -0.28 1.92 4.05 -1.06 -2.52 114.93 118.48 2k0f h MET 120 Ca 0.15 -0.54 -0.15 0.00 -0.28 0.00 0.00 59.70 58.88 2k0f h MET 120 Cb 0.27 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 2k0f h MET 120 CO -0.00 1.17 -0.42 0.82 0.23 0.00 0.00 176.91 178.70 2k0f h ILE 121 N 0.57 1.29 -0.90 1.77 2.04 -1.55 -3.26 117.51 117.47 2k0f h ILE 121 Ca 0.00 -1.62 0.04 0.00 1.00 0.00 0.00 64.86 64.28 2k0f h ILE 121 Cb 1.16 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.84 2k0f h ILE 121 CO 0.12 0.52 0.59 -0.09 0.00 0.00 0.00 178.15 179.29 2k0f h ARG 122 N 0.53 1.09 -0.25 2.37 2.43 -1.52 -1.64 114.38 117.39 2k0f h ARG 122 Ca 0.03 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k0f h ARG 122 Cb 1.02 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2k0f h ARG 122 CO 0.10 0.72 0.15 1.49 -1.51 0.00 0.00 179.97 180.92 2k0f h GLU 123 N 1.12 0.34 0.20 0.20 4.81 -1.50 -3.18 114.58 116.58 2k0f h GLU 123 Ca 0.36 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2k0f h GLU 123 Cb 0.03 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2k0f h GLU 123 CO -0.11 0.26 -0.10 0.00 -0.73 0.00 0.00 179.01 178.34 2k0f h ALA 124 N 1.05 -0.27 -2.57 2.92 0.00 -1.56 -3.48 119.26 115.35 2k0f h ALA 124 Ca 0.09 -0.21 -0.53 0.00 0.00 0.00 0.00 54.91 54.26 2k0f h ALA 124 Cb 0.01 0.11 0.04 0.00 0.00 0.00 0.00 17.79 17.95 2k0f h ALA 124 CO -0.02 -0.40 0.92 0.34 0.00 0.00 0.00 179.25 180.10 2k0f s ASP 125 N -5.34 6.57 -0.09 0.00 -1.08 -0.63 -4.91 116.67 111.19 2k0f s ASP 125 Ca -0.14 2.62 0.20 0.00 -0.52 0.00 0.00 52.55 54.71 2k0f s ASP 125 Cb 0.01 -2.59 -0.28 0.00 -1.46 0.00 0.00 42.92 38.60 2k0f s ASP 125 CO 0.52 -0.86 0.34 -0.38 0.52 0.00 0.00 175.17 175.32 2k0f n ILE 126 N 4.16 0.66 -0.08 4.11 5.41 -1.26 -4.25 119.36 128.11 2k0f n ILE 126 Ca 0.15 -0.66 -0.13 0.00 1.00 0.00 0.00 62.75 63.10 2k0f n ILE 126 Cb 0.39 -0.24 -0.08 0.00 -0.71 0.00 0.00 39.64 38.99 2k0f n ILE 126 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k0f h ASP 127 N 0.00 0.00 0.00 4.38 3.32 -1.95 -3.49 116.42 118.68 2k0f h ASP 127 Ca -0.24 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.36 2k0f h ASP 127 Cb 1.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.10 2k0f h ASP 127 CO 0.02 1.06 0.00 0.61 -1.72 0.00 0.00 179.24 179.20 2k0f n GLY 128 N 1.57 1.83 0.14 2.75 0.00 -1.26 -5.04 105.19 105.18 2k0f n GLY 128 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 1.14 0.00 1.61 5.75 -1.26 -4.99 116.55 118.81 2k0f n ASP 129 Ca 0.00 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 2k0f n ASP 129 Cb 0.00 0.82 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.36 1.13 3.32 6.12 0.00 -1.26 -5.08 105.19 110.78 2k0f n GLY 130 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2k0f n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 131 N -0.39 0.47 -0.23 1.61 -2.07 -1.26 -4.56 119.66 113.23 2k0f s GLN 131 Ca 0.00 0.73 -0.09 0.00 -1.82 0.00 0.00 55.36 54.18 2k0f s GLN 131 Cb 0.00 0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 2k0f s GLN 131 CO 0.00 -0.11 0.11 0.08 -1.32 0.00 0.00 175.29 174.05 2k0f s VAL 132 N 0.84 4.92 0.73 3.63 1.01 -0.99 -4.82 120.40 125.72 2k0f s VAL 132 Ca -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 2k0f s VAL 132 Cb -0.06 -3.28 0.15 0.00 0.00 0.00 0.00 36.38 33.19 2k0f s VAL 132 CO -0.07 0.36 1.00 -0.46 0.00 0.00 0.00 175.10 175.93 2k0f n ASN 133 N 4.33 1.21 -0.26 3.32 0.23 -1.26 -0.59 115.26 122.24 2k0f n ASN 133 Ca -0.16 -2.05 0.03 0.00 -0.53 0.00 0.00 54.58 51.87 2k0f n ASN 133 Cb 0.52 -0.66 0.16 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 -0.69 0.71 -0.04 -2.53 3.20 -1.99 -1.72 116.97 113.90 2k0f h TYR 134 Ca -0.33 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.45 2k0f h TYR 134 Cb 1.18 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 2k0f h TYR 134 CO 0.00 0.25 -0.55 0.93 -1.64 0.00 0.00 178.16 177.15 2k0f h GLU 135 N 0.65 0.12 -0.18 1.82 5.08 -1.96 -2.19 114.58 117.92 2k0f h GLU 135 Ca 0.38 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 135 Cb 0.41 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 135 CO -0.28 0.64 -0.60 0.93 -1.00 0.00 0.00 179.01 178.71 2k0f h GLU 136 N 0.09 0.61 0.70 2.33 5.08 -1.91 -2.52 114.58 118.96 2k0f h GLU 136 Ca -0.00 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 2k0f h GLU 136 Cb 1.01 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.32 2k0f h GLU 136 CO 0.08 1.03 -0.34 0.35 -1.00 0.00 0.00 179.01 179.13 2k0f h PHE 137 N 0.46 -0.87 0.00 4.33 3.57 -1.07 -2.86 116.94 120.50 2k0f h PHE 137 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 137 Cb 1.17 0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.20 2k0f h PHE 137 CO 0.05 -0.53 0.00 -0.24 -2.23 0.00 0.00 178.31 175.36 2k0f h VAL 138 N -0.98 0.00 0.04 1.41 3.04 -1.47 0.85 116.25 119.15 2k0f h VAL 138 Ca -0.10 -0.63 -0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2k0f h VAL 138 Cb 0.73 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 2k0f h VAL 138 CO 0.16 0.00 -0.02 -0.61 -1.01 0.00 0.00 177.57 176.09 2k0f h GLN 139 N 0.00 -0.05 -0.16 4.17 5.75 -1.51 -3.08 115.11 120.23 2k0f h GLN 139 Ca 0.00 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 2k0f h GLN 139 Cb 0.67 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 2k0f h GLN 139 CO 0.00 0.50 -0.46 1.98 -2.65 0.00 0.00 178.83 178.20 2k0f h MET 140 N -0.65 0.39 0.00 1.69 4.05 -1.28 -2.30 114.93 116.83 2k0f h MET 140 Ca -0.01 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 2k0f h MET 140 Cb 0.58 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 2k0f h MET 140 CO 0.01 0.77 0.00 -1.33 0.23 0.00 0.00 176.91 176.59 2k0f n MET 141 N -3.99 0.11 0.00 0.39 2.81 0.27 -5.11 117.12 111.60 2k0f n MET 141 Ca -0.02 0.19 0.15 0.00 -1.81 0.00 0.00 57.70 56.21 2k0f n MET 141 Cb 0.53 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 32.28 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89