#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 0.20 -0.34 -0.78 -0.58 -1.26 -2.49 120.64 115.39 2k0f n GLU 2 Ca 0.00 0.46 -0.02 0.00 -0.42 0.00 0.00 57.16 57.17 2k0f n GLU 2 Cb 0.00 -1.91 0.12 0.00 -0.57 0.00 0.00 31.44 29.09 2k0f n GLU 2 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2k0f h GLU 3 N 0.00 1.26 -0.19 3.49 3.07 -2.05 -1.94 114.58 118.22 2k0f h GLU 3 Ca 0.00 -0.10 -0.15 0.00 -0.50 0.00 0.00 59.36 58.62 2k0f h GLU 3 Cb 0.34 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2k0f h GLU 3 CO 0.00 0.86 -0.45 1.96 -1.40 0.00 0.00 179.01 179.98 2k0f h GLN 4 N 1.29 0.64 -0.79 2.33 4.20 -1.91 0.00 115.11 120.87 2k0f h GLN 4 Ca 0.34 -0.44 0.09 0.00 0.06 0.00 0.00 58.65 58.71 2k0f h GLN 4 Cb -0.09 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.68 2k0f h GLN 4 CO -0.07 1.06 0.44 0.82 -0.67 0.00 0.00 178.83 180.40 2k0f h ILE 5 N 0.32 0.90 -0.48 2.54 1.08 -1.63 0.26 117.51 120.49 2k0f h ILE 5 Ca -0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2k0f h ILE 5 Cb 1.07 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 2k0f h ILE 5 CO 0.10 0.13 0.30 0.00 -0.69 0.00 0.00 178.15 178.00 2k0f h ALA 6 N 1.44 0.61 -0.58 1.87 0.00 -1.18 -0.48 119.26 120.94 2k0f h ALA 6 Ca 0.38 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2k0f h ALA 6 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k0f h ALA 6 CO -0.25 0.08 -0.05 1.49 0.00 0.00 0.00 179.25 180.52 2k0f h GLU 7 N 0.64 1.06 0.00 0.00 4.57 0.04 -2.36 114.58 118.54 2k0f h GLU 7 Ca 0.17 -0.36 -0.13 0.00 -1.18 0.00 0.00 59.36 57.86 2k0f h GLU 7 Cb -0.04 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 2k0f h GLU 7 CO -0.04 1.06 -0.62 0.74 -1.18 0.00 0.00 179.01 178.98 2k0f h PHE 8 N 0.95 0.00 -0.60 0.92 0.04 -0.42 -3.18 116.94 114.65 2k0f h PHE 8 Ca 0.16 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.96 2k0f h PHE 8 Cb 0.62 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.73 2k0f h PHE 8 CO 0.04 0.62 0.35 -0.22 -0.60 0.00 0.00 178.31 178.50 2k0f h LYS 9 N 0.00 0.67 -0.75 1.51 3.64 -0.62 -0.45 116.57 120.57 2k0f h LYS 9 Ca -0.01 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 2k0f h LYS 9 Cb 1.40 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2k0f h LYS 9 CO 0.08 0.44 0.49 0.93 -2.27 0.00 0.00 179.45 179.12 2k0f h GLU 10 N 0.69 0.65 -0.03 1.90 4.39 -1.49 -1.79 114.58 118.89 2k0f h GLU 10 Ca 0.25 -0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 10 Cb 0.06 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2k0f h GLU 10 CO -0.12 0.43 -0.78 0.00 -1.16 0.00 0.00 179.01 177.38 2k0f h ALA 11 N 1.62 0.14 -0.88 3.43 0.00 -1.32 -2.51 119.26 119.74 2k0f h ALA 11 Ca 0.34 -0.61 0.21 0.00 0.00 0.00 0.00 54.91 54.85 2k0f h ALA 11 Cb 0.44 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 11 CO -0.12 0.52 0.37 0.35 0.00 0.00 0.00 179.25 180.37 2k0f h PHE 12 N 0.20 0.62 0.00 0.00 3.04 -1.10 -2.89 116.94 116.80 2k0f h PHE 12 Ca -0.09 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.90 2k0f h PHE 12 Cb 1.45 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.83 2k0f h PHE 12 CO 0.12 -0.05 -0.03 0.77 -2.02 0.00 0.00 178.31 177.10 2k0f h SER 13 N 0.39 0.00 -0.02 0.41 0.02 -0.91 -0.27 113.55 113.17 2k0f h SER 13 Ca 0.55 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.49 2k0f h SER 13 Cb 1.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 2k0f h SER 13 CO -0.53 0.00 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.08 2k0f h LEU 14 N 0.00 0.05 -0.25 5.07 3.38 -1.45 -3.39 115.31 118.72 2k0f h LEU 14 Ca 0.00 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.40 2k0f h LEU 14 Cb 0.86 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2k0f h LEU 14 CO 0.00 0.47 -0.39 -0.26 0.09 0.00 0.00 178.44 178.35 2k0f h PHE 15 N -0.37 0.86 -3.60 1.13 0.04 -0.93 -3.42 116.94 110.65 2k0f h PHE 15 Ca 0.00 -0.29 -0.59 0.00 2.80 0.00 0.00 57.97 59.90 2k0f h PHE 15 Cb 0.45 -0.17 -0.09 0.00 2.20 0.00 0.00 35.95 38.34 2k0f h PHE 15 CO 0.07 1.06 0.69 0.34 -0.60 0.00 0.00 178.31 179.87 2k0f s ASP 16 N -6.65 6.61 0.26 2.17 -1.08 -0.26 -4.65 116.67 113.08 2k0f s ASP 16 Ca -0.12 0.40 0.21 0.00 -0.52 0.00 0.00 52.55 52.51 2k0f s ASP 16 Cb 0.08 -2.48 0.09 0.00 -1.46 0.00 0.00 42.92 39.15 2k0f s ASP 16 CO 0.84 -1.03 1.24 0.11 0.52 0.00 0.00 175.17 176.85 2k0f h LYS 17 N 8.88 0.00 0.01 4.34 1.79 -1.87 -3.29 116.57 126.43 2k0f h LYS 17 Ca -0.23 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2k0f h LYS 17 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2k0f h LYS 17 CO 1.04 0.12 -0.01 -0.44 -1.08 0.00 0.00 179.45 179.08 2k0f h ASP 18 N 0.00 -0.02 0.00 0.86 3.32 -1.90 -3.49 116.42 115.19 2k0f h ASP 18 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2k0f h ASP 18 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2k0f h ASP 18 CO 0.02 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 2k0f n GLY 19 N 1.68 0.90 0.06 2.75 0.00 -1.24 -5.04 105.19 104.30 2k0f n GLY 19 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 2.39 0.00 1.61 5.75 -1.26 -5.03 116.55 120.01 2k0f n ASP 20 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 2k0f n ASP 20 Cb 0.00 0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 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 2.48 0.59 3.12 6.12 0.00 -1.26 -5.13 105.19 111.11 2k0f n GLY 21 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.33 1.12 -0.10 2.61 -4.23 -1.26 -3.79 115.64 108.66 2k0f s THR 22 Ca 0.00 -0.76 0.04 0.00 -1.18 0.00 0.00 61.69 59.79 2k0f s THR 22 Cb 0.00 -0.97 -0.00 0.00 1.34 0.00 0.00 72.50 72.87 2k0f s THR 22 CO 0.00 0.19 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.41 2k0f s ILE 23 N -0.53 2.11 0.62 2.99 1.01 -0.99 -4.73 121.20 121.68 2k0f s ILE 23 Ca 0.04 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.71 2k0f s ILE 23 Cb -0.06 -1.80 0.08 0.00 0.01 0.00 0.00 42.46 40.69 2k0f s ILE 23 CO 0.00 0.56 0.86 0.42 0.00 0.00 0.00 174.94 176.78 2k0f s THR 24 N 0.31 2.36 0.20 2.92 -4.23 -1.26 -3.30 115.64 112.64 2k0f s THR 24 Ca -0.18 -0.71 -0.11 0.00 -1.18 0.00 0.00 61.69 59.52 2k0f s THR 24 Cb -0.18 -2.65 0.13 0.00 1.34 0.00 0.00 72.50 71.14 2k0f s THR 24 CO 0.09 0.00 1.82 0.71 -0.54 0.00 0.00 174.62 176.69 2k0f h THR 25 N -0.14 1.21 -0.38 3.99 1.35 -1.94 -2.65 112.91 114.35 2k0f h THR 25 Ca -0.37 -0.53 -0.08 0.00 -0.55 0.00 0.00 66.41 64.88 2k0f h THR 25 Cb 1.28 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 2k0f h THR 25 CO 0.44 0.23 -0.10 0.50 -0.25 0.00 0.00 175.52 176.35 2k0f h LYS 26 N 0.97 0.66 -0.35 4.72 3.64 -1.97 0.59 116.57 124.83 2k0f h LYS 26 Ca 0.25 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2k0f h LYS 26 Cb 0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2k0f h LYS 26 CO -0.04 0.75 0.08 0.93 -2.27 0.00 0.00 179.45 178.89 2k0f h GLU 27 N 0.60 0.56 -0.29 1.90 5.08 -1.89 0.68 114.58 121.23 2k0f h GLU 27 Ca 0.11 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 27 Cb 0.53 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2k0f h GLU 27 CO 0.03 0.62 0.01 -0.07 -1.00 0.00 0.00 179.01 178.60 2k0f h LEU 28 N 0.41 0.48 -0.50 1.33 3.38 -1.35 -3.08 115.31 115.99 2k0f h LEU 28 Ca 0.11 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2k0f h LEU 28 Cb 0.31 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2k0f h LEU 28 CO 0.00 0.66 0.32 1.23 0.09 0.00 0.00 178.44 180.74 2k0f h GLY 29 N 0.29 0.70 0.67 0.83 0.00 -0.62 -0.32 103.07 104.62 2k0f h GLY 29 Ca 0.08 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.23 2k0f h GLY 29 CO 0.01 0.23 0.44 -0.84 0.00 0.00 0.00 176.54 176.38 2k0f h THR 30 N 0.64 0.98 -0.61 4.70 2.02 -0.95 -0.80 112.91 118.91 2k0f h THR 30 Ca 0.19 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 2k0f h THR 30 Cb -0.05 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 2k0f h THR 30 CO -0.06 0.14 0.01 0.58 0.37 0.00 0.00 175.52 176.57 2k0f h VAL 31 N 0.79 1.26 -0.58 3.16 2.07 -1.25 -1.76 116.25 119.95 2k0f h VAL 31 Ca 0.34 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 2k0f h VAL 31 Cb 0.21 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2k0f h VAL 31 CO -0.19 0.41 0.18 0.24 0.02 0.00 0.00 177.57 178.23 2k0f h MET 32 N 0.97 0.91 -0.14 1.57 2.86 -0.88 -1.49 114.93 118.73 2k0f h MET 32 Ca 0.18 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2k0f h MET 32 Cb 0.54 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2k0f h MET 32 CO 0.03 0.82 -0.38 0.00 1.06 0.00 0.00 176.91 178.43 2k0f h ARG 33 N 0.83 0.31 -0.13 1.72 3.08 -1.10 -0.47 114.38 118.62 2k0f h ARG 33 Ca 0.19 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 2k0f h ARG 33 Cb 0.29 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2k0f h ARG 33 CO -0.01 0.65 -0.12 0.77 -1.07 0.00 0.00 179.97 180.20 2k0f h SER 34 N 0.26 0.32 -0.26 7.04 0.02 -1.04 -2.43 113.55 117.46 2k0f h SER 34 Ca 0.03 -0.47 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2k0f h SER 34 Cb 0.80 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 2k0f h SER 34 CO 0.06 0.73 0.15 -0.07 -1.14 0.00 0.00 176.83 176.56 2k0f h LEU 35 N -0.08 0.24 0.00 5.07 3.38 -1.23 -3.47 115.31 119.22 2k0f h LEU 35 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k0f h LEU 35 Cb 0.63 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2k0f h LEU 35 CO 0.03 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2k0f n GLY 36 N -1.17 -0.08 3.02 0.83 0.00 -0.32 -5.12 105.19 102.37 2k0f n GLY 36 Ca -0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 0.33 -0.77 1.61 -1.52 -0.43 -4.97 119.66 113.91 2k0f s GLN 37 Ca 0.00 -0.35 0.03 0.00 -1.95 0.00 0.00 55.36 53.09 2k0f s GLN 37 Cb 0.00 0.13 0.20 0.00 -0.22 0.00 0.00 33.01 33.12 2k0f s GLN 37 CO 0.00 -0.07 0.65 0.09 -0.25 0.00 0.00 175.29 175.71 2k0f n ASN 38 N 1.89 3.60 -4.91 5.90 3.02 -1.26 -3.31 115.26 120.18 2k0f n ASN 38 Ca -0.21 -3.22 -0.27 0.00 -0.03 0.00 0.00 54.58 50.84 2k0f n ASN 38 Cb 0.56 -0.86 0.06 0.00 -0.61 0.00 0.00 39.78 38.94 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -1.61 2.37 0.49 3.52 0.04 -1.26 -5.09 135.00 133.46 2k0f s PRO 39 Ca 0.28 0.00 -0.05 0.00 0.04 0.00 0.00 61.00 61.28 2k0f s PRO 39 Cb -0.02 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2k0f s PRO 39 CO -0.13 -1.20 0.78 0.95 0.04 0.00 0.00 177.00 177.44 2k0f s THR 40 N -3.31 4.60 -0.30 1.26 -4.23 -1.26 -5.04 115.64 107.37 2k0f s THR 40 Ca 0.59 0.06 0.22 0.00 -1.18 0.00 0.00 61.69 61.38 2k0f s THR 40 Cb -0.11 -3.75 0.12 0.00 1.34 0.00 0.00 72.50 70.10 2k0f s THR 40 CO 0.47 -0.72 1.26 1.05 -0.54 0.00 0.00 174.62 176.14 2k0f h GLU 41 N 0.19 0.00 0.00 3.99 9.09 -1.98 -1.74 114.58 124.13 2k0f h GLU 41 Ca -0.47 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.91 2k0f h GLU 41 Cb 1.22 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.31 2k0f h GLU 41 CO 0.61 0.05 -0.16 0.00 0.05 0.00 0.00 179.01 179.56 2k0f h ALA 42 N 1.93 1.68 0.10 1.06 0.00 -1.98 0.23 119.26 122.27 2k0f h ALA 42 Ca -0.01 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 2k0f h ALA 42 Cb 1.07 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.85 2k0f h ALA 42 CO 0.01 0.20 -0.85 0.93 0.00 0.00 0.00 179.25 179.54 2k0f h GLU 43 N 0.00 0.40 -0.84 0.00 5.08 -1.87 -3.11 114.58 114.25 2k0f h GLU 43 Ca -0.00 -0.56 0.01 0.00 -1.00 0.00 0.00 59.36 57.81 2k0f h GLU 43 Cb 0.30 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 43 CO 0.02 1.23 0.56 -0.07 -1.00 0.00 0.00 179.01 179.75 2k0f h LEU 44 N -0.15 0.96 -0.51 1.33 3.38 -1.01 -3.15 115.31 116.16 2k0f h LEU 44 Ca -0.13 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2k0f h LEU 44 Cb 1.61 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2k0f h LEU 44 CO 0.16 0.69 0.07 -0.61 0.09 0.00 0.00 178.44 178.83 2k0f h GLN 45 N 1.13 0.85 -0.95 1.13 5.75 -1.03 -1.82 115.11 120.17 2k0f h GLN 45 Ca 0.31 -0.24 0.19 0.00 -0.15 0.00 0.00 58.65 58.76 2k0f h GLN 45 Cb -0.11 -0.09 -0.08 0.00 1.07 0.00 0.00 27.48 28.26 2k0f h GLN 45 CO -0.08 0.85 0.61 0.22 -2.65 0.00 0.00 178.83 177.78 2k0f h ASP 46 N 0.73 0.63 0.13 -0.69 3.58 -1.50 0.42 116.42 119.70 2k0f h ASP 46 Ca 0.15 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2k0f h ASP 46 Cb 0.42 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2k0f h ASP 46 CO 0.01 0.25 -0.06 0.24 -2.88 0.00 0.00 179.24 176.80 2k0f h MET 47 N 0.63 -0.17 -0.63 0.28 2.86 -1.34 -2.94 114.93 113.62 2k0f h MET 47 Ca 0.51 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 58.25 2k0f h MET 47 Cb 0.97 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.60 2k0f h MET 47 CO -0.27 0.15 0.29 0.82 1.06 0.00 0.00 176.91 178.97 2k0f h ILE 48 N -0.50 0.84 0.00 -1.22 2.04 -1.05 -2.01 117.51 115.62 2k0f h ILE 48 Ca -0.02 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2k0f h ILE 48 Cb 0.40 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2k0f h ILE 48 CO 0.03 0.09 -0.09 -1.13 0.00 0.00 0.00 178.15 177.06 2k0f h ASN 49 N 0.52 0.00 0.14 1.72 -1.24 -0.23 0.37 115.58 116.85 2k0f h ASN 49 Ca 0.31 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 57.02 2k0f h ASN 49 Cb 0.32 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.40 2k0f h ASN 49 CO -0.26 0.09 -1.25 -0.08 -1.29 0.00 0.00 177.43 174.64 2k0f h GLU 50 N 0.00 0.62 0.00 6.67 4.57 -1.18 -3.27 114.58 122.00 2k0f h GLU 50 Ca -0.00 -0.83 -0.16 0.00 -1.18 0.00 0.00 59.36 57.18 2k0f h GLU 50 Cb 0.31 0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2k0f h GLU 50 CO 0.01 1.38 -0.78 -0.39 -1.18 0.00 0.00 179.01 178.05 2k0f h VAL 51 N 0.28 1.37 -2.27 0.32 -1.51 -1.20 -3.47 116.25 109.77 2k0f h VAL 51 Ca -0.19 -2.87 -0.57 0.00 -1.23 0.00 0.00 66.70 61.84 2k0f h VAL 51 Cb 1.92 2.64 -0.00 0.00 -2.13 0.00 0.00 31.29 33.71 2k0f h VAL 51 CO 0.24 0.77 1.36 -0.62 -1.23 0.00 0.00 177.57 178.09 2k0f s ASP 52 N -6.61 5.84 -0.20 4.19 2.15 0.13 -4.86 116.67 117.29 2k0f s ASP 52 Ca 0.02 1.94 -0.19 0.00 0.43 0.00 0.00 52.55 54.74 2k0f s ASP 52 Cb 0.09 -2.52 -0.16 0.00 -0.30 0.00 0.00 42.92 40.03 2k0f s ASP 52 CO 0.79 -1.65 0.10 0.00 -0.17 0.00 0.00 175.17 174.23 2k0f n ALA 53 N 10.23 0.77 0.20 3.66 0.00 -1.26 -4.82 120.51 129.29 2k0f n ALA 53 Ca 0.25 -0.53 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 2k0f n ALA 53 Cb 0.44 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -1.00 -0.48 0.00 0.00 3.04 -1.94 -3.48 116.42 112.55 2k0f h ASP 54 Ca -0.32 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 2k0f h ASP 54 Cb 1.21 0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.62 2k0f h ASP 54 CO -0.20 -0.05 0.00 0.61 -2.04 0.00 0.00 179.24 177.56 2k0f n GLY 55 N 0.28 0.16 0.10 7.15 0.00 -1.26 -5.04 105.19 106.58 2k0f n GLY 55 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 -2.06 1.61 7.08 -1.97 -3.48 115.58 116.76 2k0f h ASN 56 Ca 0.00 -0.08 -0.33 0.00 -3.08 0.00 0.00 56.30 52.81 2k0f h ASN 56 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.20 2k0f h ASN 56 CO 0.00 0.04 -0.40 0.61 -2.08 0.00 0.00 177.43 175.60 2k0f n GLY 57 N 1.31 0.02 2.92 9.14 0.00 -1.26 -5.03 105.19 112.30 2k0f n GLY 57 Ca 0.05 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.78 0.09 -0.69 2.61 -4.23 -1.26 -4.82 115.64 104.56 2k0f s THR 58 Ca 0.00 -0.35 -0.27 0.00 -1.18 0.00 0.00 61.69 59.90 2k0f s THR 58 Cb 0.00 -0.14 0.01 0.00 1.34 0.00 0.00 72.50 73.71 2k0f s THR 58 CO 0.00 -0.16 1.50 -0.51 -0.54 0.00 0.00 174.62 174.92 2k0f s ILE 59 N -0.52 3.58 0.68 2.99 2.07 -1.21 -4.84 121.20 123.95 2k0f s ILE 59 Ca -0.05 0.33 -0.11 0.00 -1.41 0.00 0.00 60.65 59.40 2k0f s ILE 59 Cb -0.04 -4.54 0.16 0.00 0.13 0.00 0.00 42.46 38.17 2k0f s ILE 59 CO -0.00 -1.49 0.78 0.47 -1.91 0.00 0.00 174.94 172.79 2k0f n ASP 60 N 10.68 -0.59 0.00 4.50 9.92 -1.26 -2.34 116.55 137.47 2k0f n ASP 60 Ca 0.10 -1.16 -0.13 0.00 -0.53 0.00 0.00 54.79 53.07 2k0f n ASP 60 Cb 0.50 -0.64 -0.09 0.00 -0.64 0.00 0.00 41.12 40.25 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k0f h PHE 61 N -1.78 -0.03 0.00 1.24 3.57 -1.96 0.14 116.94 118.12 2k0f h PHE 61 Ca -0.27 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 2k0f h PHE 61 Cb 0.76 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2k0f h PHE 61 CO 0.00 0.40 -0.02 -1.00 -2.23 0.00 0.00 178.31 175.46 2k0f h PRO 62 N -0.46 0.00 0.03 6.41 0.13 -1.97 -1.66 132.00 134.49 2k0f h PRO 62 Ca -0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 2k0f h PRO 62 Cb 0.44 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 2k0f h PRO 62 CO 0.00 0.02 -0.40 0.93 -0.23 0.00 0.00 178.00 178.32 2k0f h GLU 63 N 0.00 0.06 -0.75 0.86 5.08 -1.86 -2.15 114.58 115.81 2k0f h GLU 63 Ca -0.00 -0.10 0.12 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 63 Cb 0.41 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 63 CO 0.00 1.05 -0.36 0.35 -1.00 0.00 0.00 179.01 179.05 2k0f h PHE 64 N -0.86 -1.01 -0.09 4.33 3.57 -0.77 -2.66 116.94 119.45 2k0f h PHE 64 Ca -0.09 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 64 Cb 1.19 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 40.48 2k0f h PHE 64 CO 0.23 -0.39 0.01 -0.07 -2.23 0.00 0.00 178.31 175.86 2k0f h LEU 65 N -0.10 0.00 -1.60 0.59 3.38 -1.41 -2.93 115.31 113.24 2k0f h LEU 65 Ca 0.27 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2k0f h LEU 65 Cb 0.57 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2k0f h LEU 65 CO -0.80 0.02 -0.15 0.74 0.09 0.00 0.00 178.44 178.33 2k0f h THR 66 N 0.05 0.50 -0.10 0.22 2.02 -1.22 0.82 112.91 115.20 2k0f h THR 66 Ca 0.04 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 2k0f h THR 66 Cb 0.03 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2k0f h THR 66 CO -0.05 0.15 -0.03 -0.03 0.37 0.00 0.00 175.52 175.93 2k0f h MET 67 N 0.00 0.20 -0.00 6.66 1.85 -1.39 -2.95 114.93 119.30 2k0f h MET 67 Ca -0.00 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 2k0f h MET 67 Cb 0.50 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.52 2k0f h MET 67 CO 0.02 0.51 -0.00 -1.33 -0.40 0.00 0.00 176.91 175.71 2k0f n MET 68 N -4.76 0.35 0.11 0.39 2.81 -0.56 -3.69 117.12 111.76 2k0f n MET 68 Ca -0.06 -0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.61 2k0f n MET 68 Cb 0.24 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.10 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f h ALA 69 N 3.35 0.03 -2.32 3.04 0.00 -0.72 -3.46 119.26 119.18 2k0f h ALA 69 Ca 0.00 -0.97 -0.46 0.00 0.00 0.00 0.00 54.91 53.47 2k0f h ALA 69 Cb 0.33 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k0f h ALA 69 CO 0.00 0.89 0.37 -0.98 0.00 0.00 0.00 179.25 179.54 2k0f s ARG 70 N -2.61 4.14 0.29 0.00 1.70 -1.15 -5.07 118.95 116.24 2k0f s ARG 70 Ca -0.10 1.33 0.08 0.00 -0.47 0.00 0.00 55.73 56.58 2k0f s ARG 70 Cb 0.05 -2.34 -0.04 0.00 -0.57 0.00 0.00 34.95 32.05 2k0f s ARG 70 CO 0.90 -0.14 0.11 0.15 -1.08 0.00 0.00 175.30 175.25 2k0f s LYS 71 N -2.85 2.52 0.51 3.89 1.02 -1.26 -4.99 119.74 118.59 2k0f s LYS 71 Ca 0.61 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 55.30 2k0f s LYS 71 Cb -0.16 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 2k0f s LYS 71 CO 0.21 0.29 0.27 -1.64 -0.92 0.00 0.00 175.35 173.55 2k0f s MET 72 N -3.79 2.24 0.59 1.68 -1.94 -1.26 -5.13 119.30 111.69 2k0f s MET 72 Ca 0.34 -2.07 -0.10 0.00 -1.71 0.00 0.00 55.69 52.15 2k0f s MET 72 Cb -0.06 -1.95 0.14 0.00 2.01 0.00 0.00 34.83 34.97 2k0f s MET 72 CO 0.22 -0.47 0.81 0.36 -0.01 0.00 0.00 175.02 175.94 2k0f n LYS 73 N -1.55 -0.76 0.00 2.03 2.85 -1.26 -4.72 118.16 114.75 2k0f n LYS 73 Ca -0.06 -1.27 0.00 0.00 -1.05 0.00 0.00 58.31 55.93 2k0f n LYS 73 Cb 0.65 -0.82 0.00 0.00 -0.65 0.00 0.00 35.03 34.21 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k0f n ASP 74 N -3.51 0.00 0.04 -5.58 5.75 -1.26 -1.08 116.55 110.91 2k0f n ASP 74 Ca 0.10 0.76 0.21 0.00 -0.01 0.00 0.00 54.79 55.86 2k0f n ASP 74 Cb 0.35 -0.26 0.73 0.00 -1.03 0.00 0.00 41.12 40.91 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2k0f h THR 75 N 0.00 0.44 0.22 2.12 1.35 -1.98 0.59 112.91 115.65 2k0f h THR 75 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.51 2k0f h THR 75 Cb 0.00 0.64 0.02 0.00 -1.73 0.00 0.00 68.15 67.09 2k0f h THR 75 CO 0.00 0.00 -1.64 0.44 -0.25 0.00 0.00 175.52 174.07 2k0f h ASP 76 N 0.00 0.72 1.43 5.36 3.32 -1.91 -3.12 116.42 122.22 2k0f h ASP 76 Ca 0.23 -0.93 -0.04 0.00 0.02 0.00 0.00 57.03 56.31 2k0f h ASP 76 Cb 1.16 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2k0f h ASP 76 CO -0.00 1.76 -0.20 0.28 -1.72 0.00 0.00 179.24 179.36 2k0f h SER 77 N 0.12 0.00 -0.16 6.45 0.02 -0.44 -2.05 113.55 117.49 2k0f h SER 77 Ca -0.31 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.42 2k0f h SER 77 Cb 2.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.68 2k0f h SER 77 CO 0.22 0.20 -0.76 -0.08 -1.14 0.00 0.00 176.83 175.27 2k0f h GLU 78 N 0.00 0.79 0.00 3.45 4.57 -1.02 -3.21 114.58 119.17 2k0f h GLU 78 Ca -0.00 -0.64 -0.15 0.00 -1.18 0.00 0.00 59.36 57.39 2k0f h GLU 78 Cb 0.97 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 2k0f h GLU 78 CO 0.03 1.25 -0.70 1.49 -1.18 0.00 0.00 179.01 179.89 2k0f h GLU 79 N 0.52 0.00 -0.41 1.92 4.81 -1.42 -2.72 114.58 117.29 2k0f h GLU 79 Ca -0.05 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 79 Cb 1.39 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.68 2k0f h GLU 79 CO 0.16 0.70 -0.50 1.49 -0.73 0.00 0.00 179.01 180.12 2k0f h GLU 80 N 0.00 -0.36 -0.14 1.92 4.81 -1.39 -0.95 114.58 118.48 2k0f h GLU 80 Ca -0.01 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 80 Cb 1.39 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 2k0f h GLU 80 CO 0.09 -0.24 -0.32 0.82 -0.73 0.00 0.00 179.01 178.63 2k0f h ILE 81 N -0.37 0.28 -0.15 2.32 2.04 -1.48 -1.93 117.51 118.21 2k0f h ILE 81 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 2k0f h ILE 81 Cb 0.60 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2k0f h ILE 81 CO -0.59 0.00 -0.38 0.03 0.00 0.00 0.00 178.15 177.21 2k0f h ARG 82 N -0.39 -0.43 0.00 2.37 3.08 -1.56 -2.37 114.38 115.08 2k0f h ARG 82 Ca 0.10 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2k0f h ARG 82 Cb 0.54 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 2k0f h ARG 82 CO -0.36 -0.28 -0.00 0.93 -1.07 0.00 0.00 179.97 179.19 2k0f h GLU 83 N -0.44 0.00 0.00 0.04 4.39 -0.82 -1.81 114.58 115.93 2k0f h GLU 83 Ca 0.09 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 83 Cb 0.60 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2k0f h GLU 83 CO -0.40 0.00 -0.85 0.00 -1.16 0.00 0.00 179.01 176.60 2k0f h ALA 84 N 2.00 0.45 -0.33 3.43 0.00 -0.81 -2.87 119.26 121.13 2k0f h ALA 84 Ca -0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 84 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2k0f h ALA 84 CO 0.00 1.06 0.01 0.35 0.00 0.00 0.00 179.25 180.67 2k0f h PHE 85 N 0.00 0.62 0.00 0.00 3.04 -1.29 -3.35 116.94 115.96 2k0f h PHE 85 Ca -0.01 -0.11 -0.06 0.00 3.98 0.00 0.00 57.97 61.78 2k0f h PHE 85 Cb 1.66 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.99 2k0f h PHE 85 CO 0.00 0.69 -0.27 -0.09 -2.02 0.00 0.00 178.31 176.61 2k0f h ARG 86 N 0.38 0.00 0.00 1.11 2.43 -1.21 -2.23 114.38 114.86 2k0f h ARG 86 Ca 0.09 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 86 Cb 0.43 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2k0f h ARG 86 CO 0.02 0.27 -0.44 -0.24 -1.51 0.00 0.00 179.97 178.07 2k0f h VAL 87 N 0.00 0.85 0.28 0.20 3.04 -1.69 -3.24 116.25 115.70 2k0f h VAL 87 Ca -0.00 -1.88 -0.01 0.00 -1.01 0.00 0.00 66.70 63.79 2k0f h VAL 87 Cb 0.70 2.19 0.00 0.00 -2.01 0.00 0.00 31.29 32.17 2k0f h VAL 87 CO 0.04 0.43 -0.14 -0.26 -1.01 0.00 0.00 177.57 176.63 2k0f h PHE 88 N 0.00 -0.35 -1.91 3.17 -1.00 -1.60 -3.45 116.94 111.79 2k0f h PHE 88 Ca -0.00 -0.01 -0.58 0.00 2.81 0.00 0.00 57.97 60.19 2k0f h PHE 88 Cb 1.15 0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.83 2k0f h PHE 88 CO 0.00 -0.22 1.51 -3.47 -1.61 0.00 0.00 178.31 174.52 2k0f n ASP 89 N -4.81 3.13 -0.08 2.17 2.03 -1.11 -4.86 116.55 113.02 2k0f n ASP 89 Ca -0.05 0.12 -0.09 0.00 0.52 0.00 0.00 54.79 55.30 2k0f n ASP 89 Cb 0.15 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 38.96 2k0f n ASP 89 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k0f n LYS 90 N 8.79 0.50 0.34 -0.67 3.00 -1.26 -4.74 118.16 124.11 2k0f n LYS 90 Ca 0.31 0.39 -0.14 0.00 -0.00 0.00 0.00 58.31 58.87 2k0f n LYS 90 Cb 0.45 -1.58 -0.07 0.00 0.00 0.00 0.00 35.03 33.83 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2k0f h ASP 91 N -1.00 -0.76 0.00 3.14 3.04 -1.95 -3.49 116.42 115.40 2k0f h ASP 91 Ca -0.07 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 2k0f h ASP 91 Cb 0.82 0.20 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 2k0f h ASP 91 CO -0.04 -0.38 0.00 0.61 -2.04 0.00 0.00 179.24 177.39 2k0f n GLY 92 N -0.59 -0.65 0.19 7.15 0.00 -1.26 -5.06 105.19 104.97 2k0f n GLY 92 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N 1.14 0.52 3.04 9.14 0.00 -1.26 -5.05 105.19 112.72 2k0f n GLY 94 Ca 0.04 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 1.21 -0.45 1.61 2.02 -1.26 -4.36 117.35 114.12 2k0f s TYR 95 Ca 0.00 -0.34 -0.24 0.00 -0.37 0.00 0.00 57.07 56.13 2k0f s TYR 95 Cb 0.00 -0.86 0.03 0.00 -0.40 0.00 0.00 41.96 40.73 2k0f s TYR 95 CO 0.00 -0.14 0.81 0.42 -1.57 0.00 0.00 175.55 175.07 2k0f s ILE 96 N 0.24 4.62 0.78 2.71 -1.09 -0.58 -4.91 121.20 122.97 2k0f s ILE 96 Ca -0.05 0.49 -0.05 0.00 -2.23 0.00 0.00 60.65 58.80 2k0f s ILE 96 Cb -0.10 -4.34 0.14 0.00 -1.58 0.00 0.00 42.46 36.57 2k0f s ILE 96 CO 0.01 -0.74 1.08 -0.94 -1.23 0.00 0.00 174.94 173.13 2k0f s SER 97 N 2.16 4.05 0.41 3.58 1.04 -1.26 -2.93 113.70 120.74 2k0f s SER 97 Ca 0.31 -0.12 0.17 0.00 0.48 0.00 0.00 55.95 56.79 2k0f s SER 97 Cb -0.12 -0.19 0.88 0.00 0.10 0.00 0.00 66.02 66.69 2k0f s SER 97 CO 0.23 -2.08 1.86 0.00 0.98 0.00 0.00 173.24 174.24 2k0f h ALA 98 N -0.84 1.30 -0.10 5.32 0.00 -1.96 -0.87 119.26 122.10 2k0f h ALA 98 Ca -0.39 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 98 Cb 1.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 98 CO 0.41 0.39 -0.11 0.00 0.00 0.00 0.00 179.25 179.94 2k0f h ALA 99 N 1.69 0.15 -0.04 0.00 0.00 -1.99 -2.41 119.26 116.66 2k0f h ALA 99 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 99 Cb 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k0f h ALA 99 CO 0.04 0.01 -0.47 0.93 0.00 0.00 0.00 179.25 179.75 2k0f h GLU 100 N -0.15 0.10 0.26 0.00 5.08 -1.83 -0.92 114.58 117.12 2k0f h GLU 100 Ca 0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 100 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2k0f h GLU 100 CO 0.03 0.56 -0.13 1.25 -1.00 0.00 0.00 179.01 179.72 2k0f h LEU 101 N 0.08 -0.30 -1.07 1.33 5.85 -1.20 -2.24 115.31 117.77 2k0f h LEU 101 Ca 0.00 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2k0f h LEU 101 Cb 0.87 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 2k0f h LEU 101 CO 0.07 -0.05 0.63 0.03 -0.34 0.00 0.00 178.44 178.78 2k0f h ARG 102 N -0.55 1.13 0.15 1.25 3.08 -1.29 -2.42 114.38 115.73 2k0f h ARG 102 Ca -0.04 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.95 2k0f h ARG 102 Cb 0.41 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 2k0f h ARG 102 CO 0.06 0.74 -0.48 1.25 -1.07 0.00 0.00 179.97 180.48 2k0f h HIS 103 N 1.16 -1.37 -0.19 3.04 2.76 -1.09 -2.76 115.15 116.70 2k0f h HIS 103 Ca 0.40 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.56 2k0f h HIS 103 Cb 0.09 0.58 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 2k0f h HIS 103 CO -0.00 -0.55 -0.04 0.28 -1.30 0.00 0.00 177.93 176.32 2k0f h VAL 104 N -0.71 1.28 -0.65 5.26 2.07 -1.23 -2.50 116.25 119.78 2k0f h VAL 104 Ca -0.01 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2k0f h VAL 104 Cb 0.70 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2k0f h VAL 104 CO -0.23 0.30 0.32 0.24 0.02 0.00 0.00 177.57 178.22 2k0f h MET 105 N 0.07 0.91 -0.66 1.57 2.07 -1.50 -1.79 114.93 115.60 2k0f h MET 105 Ca 0.05 -0.11 -0.05 0.00 -2.07 0.00 0.00 59.70 57.51 2k0f h MET 105 Cb 0.48 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 30.01 2k0f h MET 105 CO 0.02 0.70 0.21 1.79 1.07 0.00 0.00 176.91 180.69 2k0f h THR 106 N 0.91 1.24 0.00 2.22 1.35 -1.55 0.21 112.91 117.30 2k0f h THR 106 Ca 0.23 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2k0f h THR 106 Cb 0.08 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 2k0f h THR 106 CO -0.03 0.33 0.00 0.78 -0.25 0.00 0.00 175.52 176.35 2k0f h ASN 107 N 0.98 0.00 0.32 5.36 2.35 -0.93 -3.24 115.58 120.42 2k0f h ASN 107 Ca 0.22 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.64 2k0f h ASN 107 Cb 0.28 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.60 2k0f h ASN 107 CO -0.01 0.00 -1.91 0.18 -1.65 0.00 0.00 177.43 174.04 2k0f n LEU 108 N -3.00 1.16 0.00 1.61 4.77 -0.73 -4.69 117.00 116.11 2k0f n LEU 108 Ca 0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2k0f n LEU 108 Cb 0.37 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2k0f n LEU 108 CO 0.29 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2k0f n GLY 109 N 1.70 0.74 3.85 -0.72 0.00 -0.66 -4.59 105.19 105.50 2k0f n GLY 109 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 3.88 -0.23 1.61 0.41 -0.03 -4.93 118.70 119.40 2k0f s GLU 110 Ca 0.00 0.91 0.00 0.00 -0.41 0.00 0.00 54.97 55.48 2k0f s GLU 110 Cb 0.00 -2.12 0.06 0.00 -1.78 0.00 0.00 34.13 30.29 2k0f s GLU 110 CO 0.00 -0.33 -0.03 0.15 -0.49 0.00 0.00 175.26 174.56 2k0f s LYS 111 N -4.29 1.43 0.26 1.61 1.02 -1.26 -3.80 119.74 114.70 2k0f s LYS 111 Ca 0.58 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.63 2k0f s LYS 111 Cb -0.10 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 2k0f s LYS 111 CO 0.36 -0.63 0.46 -0.51 -0.92 0.00 0.00 175.35 174.11 2k0f s LEU 112 N 1.46 4.15 0.46 3.17 1.43 -1.26 -5.11 118.68 122.98 2k0f s LEU 112 Ca -0.04 0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2k0f s LEU 112 Cb -0.19 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2k0f s LEU 112 CO -0.07 -0.14 0.42 0.42 0.23 0.00 0.00 176.35 177.21 2k0f s THR 113 N -2.02 2.36 0.18 5.49 -4.23 -1.26 -5.04 115.64 111.12 2k0f s THR 113 Ca 0.40 -1.35 0.18 0.00 -1.18 0.00 0.00 61.69 59.74 2k0f s THR 113 Cb -0.10 -2.71 0.12 0.00 1.34 0.00 0.00 72.50 71.15 2k0f s THR 113 CO 0.31 0.00 1.73 0.44 -0.54 0.00 0.00 174.62 176.55 2k0f h ASP 114 N 0.88 0.00 -0.54 3.99 3.32 -1.99 -2.62 116.42 119.47 2k0f h ASP 114 Ca -0.39 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.68 2k0f h ASP 114 Cb 1.28 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 2k0f h ASP 114 CO 0.56 0.39 0.33 -0.33 -1.72 0.00 0.00 179.24 178.47 2k0f h GLU 115 N 0.00 0.65 -0.33 3.56 4.39 -1.98 -0.88 114.58 119.98 2k0f h GLU 115 Ca -0.00 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.69 2k0f h GLU 115 Cb 0.91 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2k0f h GLU 115 CO 0.05 0.43 0.13 0.93 -1.16 0.00 0.00 179.01 179.39 2k0f h GLU 116 N 0.67 0.27 -0.57 2.33 4.39 -1.89 -0.76 114.58 119.01 2k0f h GLU 116 Ca 0.21 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 2k0f h GLU 116 Cb -0.01 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2k0f h GLU 116 CO -0.08 0.18 0.09 0.28 -1.16 0.00 0.00 179.01 178.32 2k0f h VAL 117 N 0.28 1.24 -0.06 3.13 2.07 -1.29 0.64 116.25 122.27 2k0f h VAL 117 Ca 0.15 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2k0f h VAL 117 Cb 0.10 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2k0f h VAL 117 CO -0.14 0.35 -0.00 -0.78 0.02 0.00 0.00 177.57 177.02 2k0f h ASP 118 N 0.87 0.11 -0.48 0.57 3.58 -1.07 -1.91 116.42 118.09 2k0f h ASP 118 Ca 0.18 -0.33 0.07 0.00 0.42 0.00 0.00 57.03 57.38 2k0f h ASP 118 Cb 0.38 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.34 2k0f h ASP 118 CO 0.01 0.41 0.13 -0.08 -2.88 0.00 0.00 179.24 176.82 2k0f h GLU 119 N -0.20 0.27 -0.49 0.28 4.81 -0.91 -2.23 114.58 116.11 2k0f h GLU 119 Ca 0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 119 Cb 0.35 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2k0f h GLU 119 CO 0.00 0.18 0.20 0.52 -0.73 0.00 0.00 179.01 179.18 2k0f h MET 120 N 0.28 0.73 -0.90 1.92 2.86 -0.14 -2.12 114.93 117.56 2k0f h MET 120 Ca 0.23 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2k0f h MET 120 Cb 0.28 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 2k0f h MET 120 CO -0.28 0.64 0.59 0.82 1.06 0.00 0.00 176.91 179.74 2k0f h ILE 121 N 0.65 1.18 -0.37 -1.22 1.08 -1.30 -3.04 117.51 114.50 2k0f h ILE 121 Ca 0.16 -0.40 0.06 0.00 -0.39 0.00 0.00 64.86 64.29 2k0f h ILE 121 Cb 0.18 -0.09 -0.05 0.00 -3.07 0.00 0.00 36.82 33.79 2k0f h ILE 121 CO -0.02 0.21 0.07 -0.09 -0.69 0.00 0.00 178.15 177.64 2k0f h ARG 122 N 1.17 0.19 0.00 2.37 2.43 -1.12 -0.76 114.38 118.67 2k0f h ARG 122 Ca 0.35 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2k0f h ARG 122 Cb -0.06 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2k0f h ARG 122 CO -0.10 0.13 -0.14 1.05 -1.51 0.00 0.00 179.97 179.40 2k0f h GLU 123 N 0.20 0.00 0.00 0.20 4.11 -1.36 -3.34 114.58 114.38 2k0f h GLU 123 Ca 0.18 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.30 2k0f h GLU 123 Cb 0.20 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 2k0f h GLU 123 CO -0.23 0.14 -2.24 0.00 0.07 0.00 0.00 179.01 176.75 2k0f n ALA 124 N -2.17 1.68 -2.11 1.06 0.00 -0.98 -4.93 120.51 113.06 2k0f n ALA 124 Ca 0.01 -1.15 -0.42 0.00 0.00 0.00 0.00 53.44 51.88 2k0f n ALA 124 Cb 0.40 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -5.19 6.76 -0.19 0.00 2.15 -0.33 -4.58 116.67 115.30 2k0f s ASP 125 Ca -0.09 2.40 -0.17 0.00 0.43 0.00 0.00 52.55 55.12 2k0f s ASP 125 Cb 0.06 -2.59 -0.07 0.00 -0.30 0.00 0.00 42.92 40.03 2k0f s ASP 125 CO 0.78 -0.70 -0.34 -0.38 -0.17 0.00 0.00 175.17 174.35 2k0f n ILE 126 N 3.98 1.49 0.00 4.11 5.41 -1.26 -4.93 119.36 128.15 2k0f n ILE 126 Ca 0.12 0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.93 2k0f n ILE 126 Cb 0.41 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.09 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 -4.39 0.00 0.00 4.38 5.68 -1.26 -5.04 116.55 115.92 2k0f n ASP 127 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 2k0f n ASP 127 Cb 0.57 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 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 2.12 0.67 0.21 6.12 0.00 -1.26 -4.97 105.19 108.06 2k0f n GLY 128 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.69 1.61 3.04 -2.00 -3.47 116.42 114.91 2k0f h ASP 129 Ca 0.00 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.73 2k0f h ASP 129 Cb 0.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.43 2k0f h ASP 129 CO 0.00 0.23 -0.08 0.61 -2.04 0.00 0.00 179.24 177.96 2k0f n GLY 130 N 0.63 0.34 3.01 7.15 0.00 -1.26 -5.06 105.19 110.00 2k0f n GLY 130 Ca 0.02 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.36 0.92 -0.58 1.61 -0.21 -1.26 -4.90 119.66 110.88 2k0f s GLN 131 Ca 0.02 -0.32 -0.25 0.00 0.02 0.00 0.00 55.36 54.82 2k0f s GLN 131 Cb -0.01 -0.87 0.04 0.00 1.00 0.00 0.00 33.01 33.17 2k0f s GLN 131 CO 0.02 0.14 1.02 0.08 -2.12 0.00 0.00 175.29 174.44 2k0f s VAL 132 N 0.07 4.25 0.09 1.09 1.01 -1.15 -4.81 120.40 120.96 2k0f s VAL 132 Ca -0.01 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 2k0f s VAL 132 Cb -0.07 -4.62 0.02 0.00 0.00 0.00 0.00 36.38 31.71 2k0f s VAL 132 CO 0.00 -1.25 0.13 -0.46 0.00 0.00 0.00 175.10 173.52 2k0f n ASN 133 N 7.84 0.08 0.10 3.32 0.23 -1.26 -1.52 115.26 124.04 2k0f n ASN 133 Ca 0.03 -1.09 -0.10 0.00 -0.53 0.00 0.00 54.58 52.89 2k0f n ASN 133 Cb 0.48 -0.09 -0.07 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.75 -0.31 -1.02 -2.53 5.03 -1.98 -1.91 116.97 113.50 2k0f h TYR 134 Ca -0.04 -0.01 0.28 0.00 2.58 0.00 0.00 58.73 61.54 2k0f h TYR 134 Cb 0.13 0.10 -0.13 0.00 1.55 0.00 0.00 36.73 38.39 2k0f h TYR 134 CO 0.00 0.05 0.61 0.93 -1.32 0.00 0.00 178.16 178.42 2k0f h GLU 135 N -0.93 0.46 -0.16 1.82 5.08 -1.97 0.96 114.58 119.83 2k0f h GLU 135 Ca -0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 135 Cb 0.49 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2k0f h GLU 135 CO 0.06 0.30 0.04 0.93 -1.00 0.00 0.00 179.01 179.34 2k0f h GLU 136 N 0.47 0.26 -0.08 2.33 5.08 -1.86 0.57 114.58 121.36 2k0f h GLU 136 Ca 0.67 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 59.01 2k0f h GLU 136 Cb 1.43 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.59 2k0f h GLU 136 CO -0.48 0.41 -0.24 0.35 -1.00 0.00 0.00 179.01 178.04 2k0f h PHE 137 N 0.07 -0.65 -0.21 4.33 3.57 -0.96 -1.15 116.94 121.92 2k0f h PHE 137 Ca 0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2k0f h PHE 137 Cb 0.27 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2k0f h PHE 137 CO 0.01 -0.33 0.07 0.28 -2.23 0.00 0.00 178.31 176.11 2k0f h VAL 138 N -0.34 1.18 0.00 1.41 2.07 -0.48 -1.04 116.25 119.06 2k0f h VAL 138 Ca 0.08 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2k0f h VAL 138 Cb 0.46 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2k0f h VAL 138 CO -0.27 0.18 -0.19 -0.61 0.02 0.00 0.00 177.57 176.70 2k0f h GLN 139 N 0.18 0.00 -0.04 1.57 5.75 0.12 0.63 115.11 123.32 2k0f h GLN 139 Ca 0.07 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.37 2k0f h GLN 139 Cb 0.21 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 2k0f h GLN 139 CO -0.00 0.19 -0.82 1.98 -2.65 0.00 0.00 178.83 177.53 2k0f h MET 140 N 0.00 0.38 0.00 1.69 4.05 -0.96 -3.38 114.93 116.71 2k0f h MET 140 Ca -0.00 -0.35 -0.18 0.00 -0.28 0.00 0.00 59.70 58.89 2k0f h MET 140 Cb 0.47 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 2k0f h MET 140 CO 0.02 1.01 -1.12 -1.33 0.23 0.00 0.00 176.91 175.72 2k0f n MET 141 N -3.78 0.53 0.00 0.39 2.81 -0.10 -5.07 117.12 111.90 2k0f n MET 141 Ca -0.05 0.54 0.04 0.00 -1.81 0.00 0.00 57.70 56.43 2k0f n MET 141 Cb 0.76 -1.71 0.26 0.00 -0.71 0.00 0.00 33.22 31.82 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73