#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 -0.08 -0.17 -0.78 4.07 -1.26 -1.29 120.64 121.13 2k0f n GLU 2 Ca 0.00 1.40 -0.07 0.00 -0.06 0.00 0.00 57.16 58.42 2k0f n GLU 2 Cb 0.00 -2.15 0.08 0.00 -0.06 0.00 0.00 31.44 29.30 2k0f n GLU 2 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2k0f h GLU 3 N 0.00 0.97 0.00 5.31 5.08 -2.04 -0.44 114.58 123.45 2k0f h GLU 3 Ca 0.50 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 3 Cb 0.92 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2k0f h GLU 3 CO -0.90 0.96 -0.76 1.96 -1.00 0.00 0.00 179.01 179.27 2k0f h GLN 4 N 0.89 0.00 0.23 2.33 7.50 -1.66 -0.09 115.11 124.31 2k0f h GLN 4 Ca 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.30 2k0f h GLN 4 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.06 2k0f h GLN 4 CO 0.03 0.76 -0.11 0.82 -1.50 0.00 0.00 178.83 178.83 2k0f h ILE 5 N 0.00 0.83 -0.71 2.54 2.04 -1.03 -0.06 117.51 121.11 2k0f h ILE 5 Ca -0.01 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 2k0f h ILE 5 Cb 1.52 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 2k0f h ILE 5 CO 0.10 0.09 0.28 0.00 0.00 0.00 0.00 178.15 178.62 2k0f h ALA 6 N 0.18 1.15 -0.05 1.87 0.00 -0.94 -2.38 119.26 119.09 2k0f h ALA 6 Ca -0.03 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2k0f h ALA 6 Cb 0.39 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2k0f h ALA 6 CO 0.05 0.61 -0.32 1.49 0.00 0.00 0.00 179.25 181.08 2k0f h GLU 7 N 1.03 -0.43 -0.04 0.00 4.81 -0.92 -0.57 114.58 118.46 2k0f h GLU 7 Ca 0.24 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2k0f h GLU 7 Cb 0.20 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2k0f h GLU 7 CO -0.02 -0.29 -0.15 0.35 -0.73 0.00 0.00 179.01 178.18 2k0f h PHE 8 N -0.44 0.06 -0.00 0.92 3.57 -0.79 -2.23 116.94 118.03 2k0f h PHE 8 Ca 0.07 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.37 2k0f h PHE 8 Cb 0.55 -0.02 0.02 0.00 2.79 0.00 0.00 35.95 39.29 2k0f h PHE 8 CO -0.36 0.21 -0.76 -0.22 -2.23 0.00 0.00 178.31 174.94 2k0f h LYS 9 N 0.06 0.52 -0.17 1.11 1.63 -1.27 -3.15 116.57 115.30 2k0f h LYS 9 Ca 0.01 -0.56 -0.07 0.00 -0.85 0.00 0.00 60.65 59.18 2k0f h LYS 9 Cb 0.30 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 2k0f h LYS 9 CO 0.02 1.19 -0.22 0.93 -3.45 0.00 0.00 179.45 177.92 2k0f h GLU 10 N 0.08 0.30 0.10 1.90 5.08 -0.96 -2.13 114.58 118.95 2k0f h GLU 10 Ca -0.09 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 10 Cb 1.45 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 2k0f h GLU 10 CO 0.15 0.51 -0.26 0.00 -1.00 0.00 0.00 179.01 178.41 2k0f h ALA 11 N 1.51 -0.43 -0.25 3.43 0.00 -1.53 -1.46 119.26 120.52 2k0f h ALA 11 Ca 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2k0f h ALA 11 Cb 0.54 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 2k0f h ALA 11 CO 0.04 -0.79 -0.23 0.35 0.00 0.00 0.00 179.25 178.62 2k0f h PHE 12 N -0.46 -0.60 -0.88 0.00 3.57 -1.36 -0.72 116.94 116.49 2k0f h PHE 12 Ca 0.04 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.61 2k0f h PHE 12 Cb 0.50 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 2k0f h PHE 12 CO -0.25 -0.30 0.58 0.66 -2.23 0.00 0.00 178.31 176.76 2k0f h SER 13 N -0.23 0.94 0.45 0.41 4.64 -1.41 -1.78 113.55 116.57 2k0f h SER 13 Ca 0.14 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 2k0f h SER 13 Cb 0.44 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2k0f h SER 13 CO -0.38 0.64 -0.22 0.25 -0.87 0.00 0.00 176.83 176.25 2k0f h LEU 14 N 1.09 -0.51 0.09 5.97 5.85 -0.80 -3.40 115.31 123.59 2k0f h LEU 14 Ca 0.35 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 2k0f h LEU 14 Cb 0.05 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2k0f h LEU 14 CO -0.11 -0.24 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.45 2k0f h PHE 15 N -0.86 -0.11 -2.54 1.25 0.04 -1.19 -3.45 116.94 110.08 2k0f h PHE 15 Ca -0.06 -0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.18 2k0f h PHE 15 Cb 0.46 0.04 0.03 0.00 2.20 0.00 0.00 35.95 38.68 2k0f h PHE 15 CO 0.05 0.34 1.11 0.34 -0.60 0.00 0.00 178.31 179.55 2k0f s ASP 16 N -5.54 6.47 -0.01 2.17 -1.08 -0.67 -4.93 116.67 113.08 2k0f s ASP 16 Ca -0.15 2.67 -0.02 0.00 -0.52 0.00 0.00 52.55 54.53 2k0f s ASP 16 Cb 0.01 -2.56 -0.27 0.00 -1.46 0.00 0.00 42.92 38.64 2k0f s ASP 16 CO 0.61 -0.99 0.80 0.50 0.52 0.00 0.00 175.17 176.61 2k0f h LYS 17 N 8.90 0.23 0.01 4.34 3.64 -1.88 -3.35 116.57 128.47 2k0f h LYS 17 Ca -0.46 -0.40 -0.19 0.00 -1.27 0.00 0.00 60.65 58.33 2k0f h LYS 17 Cb 1.22 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 2k0f h LYS 17 CO 0.94 1.08 -1.01 -0.44 -2.27 0.00 0.00 179.45 177.75 2k0f h ASP 18 N 0.06 0.05 0.00 4.20 3.32 -1.95 -3.49 116.42 118.62 2k0f h ASP 18 Ca -0.26 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.12 2k0f h ASP 18 Cb 2.02 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.55 2k0f h ASP 18 CO 0.15 1.40 0.00 0.61 -1.72 0.00 0.00 179.24 179.68 2k0f n GLY 19 N 1.52 1.01 0.07 2.75 0.00 -1.26 -5.06 105.19 104.21 2k0f n GLY 19 Ca -0.26 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 2.03 -1.94 -3.50 116.42 114.62 2k0f h ASP 20 Ca 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 20 CO 0.00 0.74 0.00 0.61 -1.03 0.00 0.00 179.24 179.56 2k0f n GLY 21 N 1.64 0.88 3.63 7.15 0.00 -1.26 -5.13 105.19 112.09 2k0f n GLY 21 Ca -0.07 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 4.94 -0.43 2.61 -4.23 -1.26 -4.27 115.64 113.00 2k0f s THR 22 Ca 0.00 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.25 2k0f s THR 22 Cb 0.00 -3.26 0.02 0.00 1.34 0.00 0.00 72.50 70.61 2k0f s THR 22 CO 0.00 0.42 1.17 -0.63 -0.54 0.00 0.00 174.62 175.04 2k0f s ILE 23 N 0.65 4.21 0.62 2.99 -1.09 0.10 -4.84 121.20 123.84 2k0f s ILE 23 Ca 0.05 1.28 -0.07 0.00 -2.23 0.00 0.00 60.65 59.67 2k0f s ILE 23 Cb -0.13 -4.50 0.01 0.00 -1.58 0.00 0.00 42.46 36.26 2k0f s ILE 23 CO 0.01 -0.86 0.95 0.42 -1.23 0.00 0.00 174.94 174.23 2k0f s THR 24 N 4.45 3.64 -0.06 2.92 -4.23 -1.26 -1.14 115.64 119.96 2k0f s THR 24 Ca 0.50 0.14 0.13 0.00 -1.18 0.00 0.00 61.69 61.27 2k0f s THR 24 Cb -0.09 -3.47 -0.07 0.00 1.34 0.00 0.00 72.50 70.21 2k0f s THR 24 CO 0.29 -0.52 1.25 0.74 -0.54 0.00 0.00 174.62 175.84 2k0f h THR 25 N -0.29 1.06 0.00 3.99 2.02 -1.95 -2.14 112.91 115.60 2k0f h THR 25 Ca -0.45 -2.57 -0.02 0.00 0.77 0.00 0.00 66.41 64.13 2k0f h THR 25 Cb 1.25 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 70.15 2k0f h THR 25 CO 0.61 0.60 -0.10 0.11 0.37 0.00 0.00 175.52 177.12 2k0f h LYS 26 N 0.00 0.00 0.12 6.66 1.79 -1.97 0.16 116.57 123.33 2k0f h LYS 26 Ca -0.05 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.26 2k0f h LYS 26 Cb 1.57 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.23 2k0f h LYS 26 CO 0.08 0.10 -0.73 0.93 -1.08 0.00 0.00 179.45 178.75 2k0f h GLU 27 N 0.00 0.25 0.62 3.15 5.08 -1.83 -3.23 114.58 118.61 2k0f h GLU 27 Ca -0.00 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 2k0f h GLU 27 Cb 0.71 0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.13 2k0f h GLU 27 CO 0.01 1.21 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.86 2k0f h LEU 28 N -0.46 -0.70 -1.07 1.33 3.38 -1.37 -1.84 115.31 114.57 2k0f h LEU 28 Ca -0.13 -0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.08 2k0f h LEU 28 Cb 1.55 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 42.36 2k0f h LEU 28 CO 0.12 -0.40 0.61 1.23 0.09 0.00 0.00 178.44 180.09 2k0f h GLY 29 N -0.99 1.82 0.94 0.83 0.00 -0.90 -1.96 103.07 102.81 2k0f h GLY 29 Ca -0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2k0f h GLY 29 CO 0.14 -0.27 -0.42 -0.84 0.00 0.00 0.00 176.54 175.15 2k0f h THR 30 N 0.50 0.07 0.00 4.70 2.02 -1.55 -2.99 112.91 115.66 2k0f h THR 30 Ca 0.66 -0.09 -0.16 0.00 0.77 0.00 0.00 66.41 67.59 2k0f h THR 30 Cb 1.37 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2k0f h THR 30 CO -0.47 0.00 -0.76 1.62 0.37 0.00 0.00 175.52 176.28 2k0f h VAL 31 N -1.26 1.52 0.00 3.16 3.04 -0.99 0.40 116.25 122.12 2k0f h VAL 31 Ca -0.12 -2.63 -0.06 0.00 -1.01 0.00 0.00 66.70 62.88 2k0f h VAL 31 Cb 0.91 2.43 -0.01 0.00 -2.01 0.00 0.00 31.29 32.61 2k0f h VAL 31 CO 0.20 0.75 -0.30 0.24 -1.01 0.00 0.00 177.57 177.44 2k0f h MET 32 N 0.00 0.00 0.02 4.17 2.86 -1.53 -2.05 114.93 118.40 2k0f h MET 32 Ca -0.01 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 2k0f h MET 32 Cb 1.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 2k0f h MET 32 CO 0.10 0.30 -0.97 -0.09 1.06 0.00 0.00 176.91 177.31 2k0f h ARG 33 N 0.00 0.26 -0.19 1.72 2.43 -0.83 -2.67 114.38 115.09 2k0f h ARG 33 Ca -0.00 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 2k0f h ARG 33 Cb 0.62 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2k0f h ARG 33 CO 0.04 1.04 -0.01 0.77 -1.51 0.00 0.00 179.97 180.30 2k0f h SER 34 N 0.13 0.26 0.21 -3.80 0.02 -1.03 -1.29 113.55 108.05 2k0f h SER 34 Ca -0.07 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.75 2k0f h SER 34 Cb 1.62 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 2k0f h SER 34 CO 0.15 0.32 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.73 2k0f h LEU 35 N 0.28 0.22 0.00 5.07 4.07 -1.28 -3.47 115.31 120.20 2k0f h LEU 35 Ca 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2k0f h LEU 35 Cb 0.21 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2k0f h LEU 35 CO 0.01 0.58 0.00 0.61 -1.08 0.00 0.00 178.44 178.55 2k0f n GLY 36 N -0.32 0.20 3.25 0.83 0.00 -0.49 -5.06 105.19 103.60 2k0f n GLY 36 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.89 -0.87 1.61 2.00 -1.12 -5.00 119.66 117.17 2k0f s GLN 37 Ca 0.00 -0.74 0.01 0.00 -2.00 0.00 0.00 55.36 52.63 2k0f s GLN 37 Cb 0.00 0.38 0.32 0.00 0.80 0.00 0.00 33.01 34.51 2k0f s GLN 37 CO 0.00 -0.30 1.43 0.27 -0.50 0.00 0.00 175.29 176.19 2k0f n ASN 38 N 0.12 6.10 -4.70 6.67 6.94 -1.26 -4.31 115.26 124.82 2k0f n ASN 38 Ca -0.17 -3.63 -0.34 0.00 -0.02 0.00 0.00 54.58 50.43 2k0f n ASN 38 Cb 0.62 -0.96 0.13 0.00 -2.36 0.00 0.00 39.78 37.20 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2k0f s PRO 39 N -3.72 1.66 -0.16 -0.53 0.04 -1.26 -5.02 135.00 126.01 2k0f s PRO 39 Ca 0.41 1.78 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 2k0f s PRO 39 Cb 0.19 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.92 2k0f s PRO 39 CO -0.09 -2.21 0.08 0.99 0.04 0.00 0.00 177.00 175.82 2k0f s THR 40 N -2.10 4.98 0.27 1.26 2.01 -1.26 -5.01 115.64 115.79 2k0f s THR 40 Ca 0.74 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.81 2k0f s THR 40 Cb -0.29 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.01 2k0f s THR 40 CO 0.50 0.51 1.65 -0.08 -0.69 0.00 0.00 174.62 176.51 2k0f h GLU 41 N 6.15 0.30 -0.71 4.92 4.81 -1.98 -1.26 114.58 126.80 2k0f h GLU 41 Ca -0.43 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 58.69 2k0f h GLU 41 Cb 1.18 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 2k0f h GLU 41 CO 0.67 0.70 0.43 0.00 -0.73 0.00 0.00 179.01 180.08 2k0f h ALA 42 N 1.28 0.95 -0.23 2.92 0.00 -1.98 0.50 119.26 122.71 2k0f h ALA 42 Ca 0.02 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2k0f h ALA 42 Cb 0.90 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k0f h ALA 42 CO 0.07 0.17 -0.65 0.93 0.00 0.00 0.00 179.25 179.77 2k0f h GLU 43 N 0.81 0.83 -0.21 0.00 5.08 -1.96 -2.54 114.58 116.60 2k0f h GLU 43 Ca 0.30 -0.59 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 43 Cb 0.10 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2k0f h GLU 43 CO -0.14 1.22 0.11 1.25 -1.00 0.00 0.00 179.01 180.44 2k0f h LEU 44 N 0.61 0.17 -1.98 1.33 5.85 -0.74 -2.29 115.31 118.26 2k0f h LEU 44 Ca -0.02 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2k0f h LEU 44 Cb 1.27 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2k0f h LEU 44 CO 0.14 0.13 -0.10 -0.61 -0.34 0.00 0.00 178.44 177.66 2k0f h GLN 45 N 0.23 0.00 0.00 1.25 5.75 -0.04 -1.58 115.11 120.72 2k0f h GLN 45 Ca 0.08 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.37 2k0f h GLN 45 Cb 0.01 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 2k0f h GLN 45 CO -0.05 0.10 -1.07 0.22 -2.65 0.00 0.00 178.83 175.38 2k0f h ASP 46 N 0.00 0.00 0.19 -0.69 3.58 -1.25 -1.76 116.42 116.49 2k0f h ASP 46 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2k0f h ASP 46 Cb 0.30 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2k0f h ASP 46 CO 0.01 0.97 -0.18 0.24 -2.88 0.00 0.00 179.24 177.41 2k0f h MET 47 N 0.00 0.00 0.17 0.28 2.86 -0.80 -3.10 114.93 114.34 2k0f h MET 47 Ca -0.05 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.29 2k0f h MET 47 Cb 1.78 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.45 2k0f h MET 47 CO 0.12 0.18 -1.38 0.82 1.06 0.00 0.00 176.91 177.71 2k0f h ILE 48 N 0.00 1.36 0.00 -1.22 2.04 -0.97 -3.35 117.51 115.38 2k0f h ILE 48 Ca -0.00 -2.90 -0.14 0.00 1.00 0.00 0.00 64.86 62.82 2k0f h ILE 48 Cb 0.32 2.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 2k0f h ILE 48 CO 0.02 0.86 -0.67 0.78 0.00 0.00 0.00 178.15 179.14 2k0f h ASN 49 N 0.10 0.00 -0.25 1.72 2.35 -1.25 0.11 115.58 118.36 2k0f h ASN 49 Ca -0.19 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.63 2k0f h ASN 49 Cb 2.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.41 2k0f h ASN 49 CO 0.22 0.67 0.19 1.05 -1.65 0.00 0.00 177.43 177.91 2k0f h GLU 50 N 0.00 0.00 0.62 0.81 4.11 -1.72 -2.88 114.58 115.52 2k0f h GLU 50 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2k0f h GLU 50 Cb 1.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.51 2k0f h GLU 50 CO 0.09 0.00 -0.30 0.28 0.07 0.00 0.00 179.01 179.15 2k0f h VAL 51 N 0.00 0.00 -0.72 -1.06 2.07 -1.19 -3.47 116.25 111.89 2k0f h VAL 51 Ca 0.12 -0.34 -0.77 0.00 0.82 0.00 0.00 66.70 66.53 2k0f h VAL 51 Cb 0.50 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2k0f h VAL 51 CO -0.00 0.00 1.13 -0.67 0.02 0.00 0.00 177.57 178.04 2k0f n ASP 52 N -5.17 1.43 -0.13 0.57 2.03 0.22 -4.93 116.55 110.56 2k0f n ASP 52 Ca -0.10 0.81 -0.27 0.00 0.52 0.00 0.00 54.79 55.75 2k0f n ASP 52 Cb 0.33 -1.01 -0.11 0.00 -0.72 0.00 0.00 41.12 39.61 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 6.82 1.16 -1.00 -1.67 0.00 -1.26 -4.75 120.51 119.80 2k0f n ALA 53 Ca 0.42 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2k0f n ALA 53 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -4.10 0.00 0.00 0.00 5.68 -1.26 -5.03 116.55 111.84 2k0f n ASP 54 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.80 2k0f n ASP 54 Cb 0.88 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 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 0.00 0.00 0.13 6.12 0.00 -1.26 -5.05 105.19 105.13 2k0f n GLY 55 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 2.03 0.00 1.61 0.23 -1.26 -5.01 115.26 112.86 2k0f n ASN 56 Ca 0.00 0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 2k0f n ASN 56 Cb 0.00 -0.61 0.00 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 2.09 0.96 3.16 4.83 0.00 -1.26 -5.08 105.19 109.88 2k0f n GLY 57 Ca -0.41 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 0.73 -0.49 2.61 -4.23 -1.26 -4.69 115.64 106.31 2k0f s THR 58 Ca 0.00 -1.74 -0.18 0.00 -1.18 0.00 0.00 61.69 58.59 2k0f s THR 58 Cb 0.00 -1.45 0.06 0.00 1.34 0.00 0.00 72.50 72.46 2k0f s THR 58 CO 0.00 -0.73 0.53 -0.63 -0.54 0.00 0.00 174.62 173.25 2k0f s ILE 59 N -3.02 5.03 0.83 2.99 1.01 -0.29 -4.83 121.20 122.92 2k0f s ILE 59 Ca 0.07 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 2k0f s ILE 59 Cb 0.01 -4.23 0.18 0.00 0.01 0.00 0.00 42.46 38.43 2k0f s ILE 59 CO -0.03 -0.71 1.14 0.47 0.00 0.00 0.00 174.94 175.81 2k0f n ASP 60 N 5.76 0.82 0.16 3.58 9.92 -1.26 -0.72 116.55 134.81 2k0f n ASP 60 Ca -0.09 -1.86 -0.11 0.00 -0.53 0.00 0.00 54.79 52.20 2k0f n ASP 60 Cb 0.45 -0.80 -0.06 0.00 -0.64 0.00 0.00 41.12 40.07 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 -1.10 -0.84 -0.15 1.24 3.57 -1.96 -0.54 116.94 117.16 2k0f h PHE 61 Ca -0.37 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.17 2k0f h PHE 61 Cb 1.20 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 40.27 2k0f h PHE 61 CO 0.00 -0.39 0.11 -1.00 -2.23 0.00 0.00 178.31 174.80 2k0f h PRO 62 N -0.58 0.03 0.11 6.41 0.13 -1.98 -0.75 132.00 135.38 2k0f h PRO 62 Ca -0.03 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 2k0f h PRO 62 Cb 0.51 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2k0f h PRO 62 CO -0.05 0.02 -0.05 0.93 -0.23 0.00 0.00 178.00 178.62 2k0f h GLU 63 N 0.03 -0.15 -0.58 0.86 5.08 -1.90 -3.03 114.58 114.90 2k0f h GLU 63 Ca 0.07 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 63 Cb 0.24 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 63 CO -0.00 0.32 0.21 0.35 -1.00 0.00 0.00 179.01 178.88 2k0f h PHE 64 N -0.71 0.86 0.33 4.33 3.57 -0.55 0.37 116.94 125.13 2k0f h PHE 64 Ca -0.02 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2k0f h PHE 64 Cb 0.54 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2k0f h PHE 64 CO 0.09 0.67 -0.31 1.25 -2.23 0.00 0.00 178.31 177.78 2k0f h LEU 65 N 0.83 -0.86 -0.39 0.59 5.85 -1.24 -2.41 115.31 117.68 2k0f h LEU 65 Ca 0.19 0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.80 2k0f h LEU 65 Cb 0.20 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2k0f h LEU 65 CO -0.01 -0.42 -0.71 0.00 -0.34 0.00 0.00 178.44 176.96 2k0f h THR 66 N -0.64 1.36 0.00 1.05 1.03 -1.37 -1.85 112.91 112.49 2k0f h THR 66 Ca -0.04 -2.06 -0.02 0.00 -0.01 0.00 0.00 66.41 64.28 2k0f h THR 66 Cb 0.55 2.04 -0.00 0.00 -1.07 0.00 0.00 68.15 69.67 2k0f h THR 66 CO -0.03 0.63 -0.08 -0.03 -0.01 0.00 0.00 175.52 176.00 2k0f h MET 67 N 0.33 0.00 0.13 0.00 1.85 -0.93 0.56 114.93 116.87 2k0f h MET 67 Ca -0.03 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.73 2k0f h MET 67 Cb 1.29 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.31 2k0f h MET 67 CO 0.13 0.08 -1.69 0.52 -0.40 0.00 0.00 176.91 175.55 2k0f h MET 68 N 0.00 0.28 -0.15 0.39 2.07 -1.32 -3.32 114.93 112.89 2k0f h MET 68 Ca -0.00 -0.48 -0.03 0.00 -2.07 0.00 0.00 59.70 57.12 2k0f h MET 68 Cb 0.19 0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 30.09 2k0f h MET 68 CO 0.01 1.15 -0.02 0.00 1.07 0.00 0.00 176.91 179.12 2k0f h ALA 69 N 0.34 1.69 -1.58 6.32 0.00 -0.45 -3.44 119.26 122.15 2k0f h ALA 69 Ca -0.31 -0.11 -0.61 0.00 0.00 0.00 0.00 54.91 53.88 2k0f h ALA 69 Cb 2.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 2k0f h ALA 69 CO 0.15 0.23 1.48 -2.13 0.00 0.00 0.00 179.25 178.98 2k0f n ARG 70 N -4.39 1.52 -3.32 0.00 0.63 0.10 -4.97 116.66 106.23 2k0f n ARG 70 Ca -0.01 0.39 -0.31 0.00 -0.92 0.00 0.00 57.85 57.01 2k0f n ARG 70 Cb 0.18 -2.93 -0.04 0.00 0.45 0.00 0.00 32.46 30.11 2k0f n ARG 70 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2k0f s LYS 71 N 6.49 3.74 0.29 -0.14 2.20 -1.26 -5.01 119.74 126.06 2k0f s LYS 71 Ca 1.05 0.21 0.01 0.00 -0.36 0.00 0.00 55.97 56.88 2k0f s LYS 71 Cb -0.54 -2.62 0.01 0.00 -1.51 0.00 0.00 37.83 33.18 2k0f s LYS 71 CO 0.40 0.24 0.09 -1.33 -0.36 0.00 0.00 175.35 174.40 2k0f n MET 72 N -0.54 1.20 -2.05 4.03 2.81 -1.26 -5.15 117.12 116.17 2k0f n MET 72 Ca 0.00 -1.99 -0.28 0.00 -1.81 0.00 0.00 57.70 53.62 2k0f n MET 72 Cb 0.53 0.41 0.10 0.00 -0.71 0.00 0.00 33.22 33.54 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N -3.12 1.82 0.01 0.03 1.02 -1.26 -4.87 119.74 113.37 2k0f s LYS 73 Ca 0.07 -0.16 -0.24 0.00 0.02 0.00 0.00 55.97 55.66 2k0f s LYS 73 Cb -0.01 -2.03 -0.18 0.00 -0.52 0.00 0.00 37.83 35.10 2k0f s LYS 73 CO 0.05 -1.59 1.34 -0.44 -0.92 0.00 0.00 175.35 173.78 2k0f h ASP 74 N -0.96 0.12 -0.76 2.83 3.32 -2.01 0.13 116.42 119.10 2k0f h ASP 74 Ca -0.45 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.15 2k0f h ASP 74 Cb 1.31 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.79 2k0f h ASP 74 CO 0.58 0.54 0.43 0.71 -1.72 0.00 0.00 179.24 179.78 2k0f h THR 75 N -0.29 1.22 0.12 0.35 1.35 -1.99 0.69 112.91 114.37 2k0f h THR 75 Ca 0.01 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.34 2k0f h THR 75 Cb 0.49 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 2k0f h THR 75 CO 0.01 0.24 -0.06 0.44 -0.25 0.00 0.00 175.52 175.90 2k0f h ASP 76 N 1.06 -0.14 -0.48 5.36 3.32 -1.95 -2.18 116.42 121.42 2k0f h ASP 76 Ca 0.27 -0.30 0.10 0.00 0.02 0.00 0.00 57.03 57.12 2k0f h ASP 76 Cb 0.00 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 39.49 2k0f h ASP 76 CO -0.05 0.24 -0.16 -1.28 -1.72 0.00 0.00 179.24 176.27 2k0f h SER 77 N -0.53 -0.58 -1.00 6.45 0.87 -0.44 0.20 113.55 118.52 2k0f h SER 77 Ca -0.02 0.16 0.12 0.00 -1.23 0.00 0.00 61.79 60.82 2k0f h SER 77 Cb 0.43 0.35 -0.08 0.00 -0.44 0.00 0.00 62.40 62.65 2k0f h SER 77 CO 0.03 -0.20 0.63 -0.08 -0.53 0.00 0.00 176.83 176.68 2k0f h GLU 78 N -0.05 0.97 -0.35 2.24 4.81 -0.82 -1.88 114.58 119.50 2k0f h GLU 78 Ca 0.23 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 78 Cb 0.41 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2k0f h GLU 78 CO -0.53 0.64 -0.25 1.49 -0.73 0.00 0.00 179.01 179.63 2k0f h GLU 79 N 1.00 0.79 -0.86 1.92 4.81 -0.48 0.54 114.58 122.30 2k0f h GLU 79 Ca 0.50 -0.38 0.09 0.00 -0.13 0.00 0.00 59.36 59.43 2k0f h GLU 79 Cb 0.48 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 2k0f h GLU 79 CO -0.26 1.01 0.51 1.49 -0.73 0.00 0.00 179.01 181.03 2k0f h GLU 80 N 0.57 0.85 -0.40 1.92 4.81 -0.97 -0.98 114.58 120.38 2k0f h GLU 80 Ca 0.07 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 2k0f h GLU 80 Cb 0.82 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2k0f h GLU 80 CO 0.07 0.56 -0.18 0.82 -0.73 0.00 0.00 179.01 179.55 2k0f h ILE 81 N 0.88 1.27 -0.28 2.32 2.04 -1.09 -2.65 117.51 119.99 2k0f h ILE 81 Ca 0.40 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 65.02 2k0f h ILE 81 Cb 0.31 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2k0f h ILE 81 CO -0.22 0.43 0.09 -0.09 0.00 0.00 0.00 178.15 178.36 2k0f h ARG 82 N 0.68 0.21 -0.99 2.37 2.43 -0.48 0.18 114.38 118.79 2k0f h ARG 82 Ca 0.10 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2k0f h ARG 82 Cb 0.68 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 2k0f h ARG 82 CO 0.05 0.14 0.65 0.93 -1.51 0.00 0.00 179.97 180.23 2k0f h GLU 83 N 0.22 1.23 0.00 0.20 4.39 -1.25 -0.60 114.58 118.77 2k0f h GLU 83 Ca 0.12 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 2k0f h GLU 83 Cb 0.09 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 2k0f h GLU 83 CO -0.13 0.82 -0.60 0.00 -1.16 0.00 0.00 179.01 177.94 2k0f h ALA 84 N 1.42 0.62 -0.54 3.43 0.00 -0.97 -2.54 119.26 120.68 2k0f h ALA 84 Ca 0.38 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 84 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2k0f h ALA 84 CO -0.11 0.74 0.27 0.35 0.00 0.00 0.00 179.25 180.49 2k0f h PHE 85 N 0.00 0.77 0.00 0.00 3.57 -0.42 -1.68 116.94 119.19 2k0f h PHE 85 Ca -0.01 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 2k0f h PHE 85 Cb 1.45 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2k0f h PHE 85 CO 0.00 0.59 -0.28 -0.09 -2.23 0.00 0.00 178.31 176.30 2k0f h ARG 86 N 0.72 0.00 -0.16 1.11 2.43 -0.96 -2.01 114.38 115.51 2k0f h ARG 86 Ca 0.19 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2k0f h ARG 86 Cb 0.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2k0f h ARG 86 CO -0.02 0.28 -0.01 0.28 -1.51 0.00 0.00 179.97 178.99 2k0f h VAL 87 N 0.00 1.26 0.34 0.20 2.07 -1.28 -3.39 116.25 115.45 2k0f h VAL 87 Ca -0.00 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 2k0f h VAL 87 Cb 0.50 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2k0f h VAL 87 CO 0.04 0.26 -0.16 0.15 0.02 0.00 0.00 177.57 177.87 2k0f h PHE 88 N 0.01 -0.42 -2.43 1.57 3.04 -1.22 -3.41 116.94 114.08 2k0f h PHE 88 Ca 0.04 -0.01 -0.56 0.00 3.98 0.00 0.00 57.97 61.43 2k0f h PHE 88 Cb 0.39 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 2k0f h PHE 88 CO 0.04 -0.23 1.24 0.34 -2.02 0.00 0.00 178.31 177.68 2k0f s ASP 89 N -5.05 6.24 0.07 0.41 2.15 -0.76 -4.87 116.67 114.85 2k0f s ASP 89 Ca -0.08 2.15 -0.35 0.00 0.43 0.00 0.00 52.55 54.70 2k0f s ASP 89 Cb 0.01 -2.53 -0.18 0.00 -0.30 0.00 0.00 42.92 39.92 2k0f s ASP 89 CO 0.24 -1.30 1.53 0.50 -0.17 0.00 0.00 175.17 175.97 2k0f h LYS 90 N 11.49 -1.10 0.00 4.34 3.64 -1.88 -3.42 116.57 129.64 2k0f h LYS 90 Ca -0.42 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2k0f h LYS 90 Cb 1.21 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 2k0f h LYS 90 CO 0.96 -0.73 -0.08 -0.40 -2.27 0.00 0.00 179.45 176.93 2k0f n ASP 91 N -5.43 0.26 0.00 4.20 5.68 -1.26 -5.05 116.55 114.95 2k0f n ASP 91 Ca -0.14 0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 2k0f n ASP 91 Cb 0.48 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 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 1.70 0.00 0.00 6.12 0.00 -1.26 -5.04 105.19 106.71 2k0f n GLY 92 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.00 -0.15 1.61 0.23 -1.26 -4.89 115.26 110.80 2k0f n ASN 93 Ca 0.00 0.36 -0.02 0.00 -0.53 0.00 0.00 54.58 54.39 2k0f n ASN 93 Cb 0.00 -0.45 -0.01 0.00 -2.08 0.00 0.00 39.78 37.25 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 0.85 0.50 3.43 4.83 0.00 -1.26 -5.01 105.19 108.53 2k0f n GLY 94 Ca 0.07 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.85 2.90 -0.28 1.61 1.51 -1.26 -4.30 117.35 115.68 2k0f s TYR 95 Ca 0.00 -0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 55.50 2k0f s TYR 95 Cb 0.00 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 2k0f s TYR 95 CO 0.00 -0.12 0.10 0.42 -1.11 0.00 0.00 175.55 174.84 2k0f s ILE 96 N 0.32 4.30 0.46 2.71 1.01 0.13 -4.91 121.20 125.22 2k0f s ILE 96 Ca -0.07 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.25 2k0f s ILE 96 Cb -0.15 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.21 2k0f s ILE 96 CO 0.04 0.18 0.56 -0.44 0.00 0.00 0.00 174.94 175.28 2k0f s SER 97 N 1.58 5.35 0.35 3.58 0.01 -1.26 -0.81 113.70 122.51 2k0f s SER 97 Ca 0.05 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.72 2k0f s SER 97 Cb -0.16 -0.39 0.67 0.00 0.21 0.00 0.00 66.02 66.35 2k0f s SER 97 CO 0.04 -0.87 1.99 0.00 0.41 0.00 0.00 173.24 174.81 2k0f h ALA 98 N 0.64 1.61 -0.10 1.44 0.00 -1.97 -1.08 119.26 119.80 2k0f h ALA 98 Ca -0.38 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 2k0f h ALA 98 Cb 1.28 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.85 2k0f h ALA 98 CO 0.48 0.33 -0.69 0.00 0.00 0.00 0.00 179.25 179.36 2k0f h ALA 99 N 1.60 0.22 -0.78 0.00 0.00 -1.98 -2.09 119.26 116.23 2k0f h ALA 99 Ca 0.26 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2k0f h ALA 99 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2k0f h ALA 99 CO -0.07 0.54 0.48 0.93 0.00 0.00 0.00 179.25 181.13 2k0f h GLU 100 N 0.30 1.06 0.42 0.00 5.08 -1.88 -0.68 114.58 118.88 2k0f h GLU 100 Ca -0.06 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2k0f h GLU 100 Cb 1.34 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2k0f h GLU 100 CO 0.14 0.74 -0.37 1.25 -1.00 0.00 0.00 179.01 179.77 2k0f h LEU 101 N 1.07 -0.99 -0.16 1.33 5.85 -1.19 -2.13 115.31 119.09 2k0f h LEU 101 Ca 0.28 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.13 2k0f h LEU 101 Cb -0.05 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 2k0f h LEU 101 CO -0.05 -0.53 -0.31 -0.09 -0.34 0.00 0.00 178.44 177.11 2k0f h ARG 102 N -0.80 -0.35 -0.53 1.25 9.65 -1.02 -0.62 114.38 121.95 2k0f h ARG 102 Ca -0.04 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 58.97 2k0f h ARG 102 Cb 0.70 0.08 -0.09 0.00 -1.39 0.00 0.00 29.97 29.27 2k0f h ARG 102 CO -0.04 -0.24 -0.03 0.45 2.80 0.00 0.00 179.97 182.91 2k0f h HIS 103 N -0.37 -0.10 0.57 2.20 3.86 -1.15 -0.55 115.15 119.62 2k0f h HIS 103 Ca 0.11 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2k0f h HIS 103 Cb 0.53 0.13 0.01 0.00 1.06 0.00 0.00 27.41 29.14 2k0f h HIS 103 CO -0.41 -0.16 -0.27 0.28 0.86 0.00 0.00 177.93 178.23 2k0f h VAL 104 N 0.08 0.44 -0.72 2.45 2.07 -1.22 -2.71 116.25 116.64 2k0f h VAL 104 Ca 0.27 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 2k0f h VAL 104 Cb 0.42 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2k0f h VAL 104 CO -0.48 0.00 0.39 -0.03 0.02 0.00 0.00 177.57 177.48 2k0f h MET 105 N -0.79 1.01 -0.13 1.57 -1.53 -0.82 0.14 114.93 114.38 2k0f h MET 105 Ca -0.08 -0.12 0.03 0.00 -3.44 0.00 0.00 59.70 56.09 2k0f h MET 105 Cb 0.60 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 31.42 2k0f h MET 105 CO 0.13 0.76 -0.05 1.15 0.14 0.00 0.00 176.91 179.04 2k0f h THR 106 N 0.99 0.83 0.02 -0.77 2.02 -1.13 0.23 112.91 115.11 2k0f h THR 106 Ca 0.25 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.22 2k0f h THR 106 Cb 0.05 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2k0f h THR 106 CO -0.04 0.00 -0.96 0.78 0.37 0.00 0.00 175.52 175.67 2k0f h ASN 107 N -0.03 0.19 -0.03 4.18 2.35 -1.28 -2.96 115.58 118.00 2k0f h ASN 107 Ca 0.07 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2k0f h ASN 107 Cb 0.13 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 2k0f h ASN 107 CO -0.15 1.04 0.02 0.25 -1.65 0.00 0.00 177.43 176.94 2k0f h LEU 108 N 0.06 0.03 0.00 1.61 5.85 -0.67 -3.44 115.31 118.75 2k0f h LEU 108 Ca -0.05 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2k0f h LEU 108 Cb 1.64 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.66 2k0f h LEU 108 CO 0.14 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.93 2k0f n GLY 109 N -0.96 -1.74 3.59 3.75 0.00 0.69 -4.86 105.19 105.66 2k0f n GLY 109 Ca -0.07 0.57 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N -1.64 3.85 -0.67 1.61 2.02 -0.40 -4.81 118.70 118.67 2k0f s GLU 110 Ca 0.00 -0.40 -0.20 0.00 0.02 0.00 0.00 54.97 54.40 2k0f s GLU 110 Cb 0.00 -3.11 0.11 0.00 0.10 0.00 0.00 34.13 31.23 2k0f s GLU 110 CO 0.00 0.28 0.84 0.15 0.02 0.00 0.00 175.26 176.55 2k0f s LYS 111 N 0.31 3.17 0.78 1.61 -0.14 -1.26 -3.48 119.74 120.74 2k0f s LYS 111 Ca 0.01 -1.32 -0.11 0.00 -1.36 0.00 0.00 55.97 53.18 2k0f s LYS 111 Cb -0.13 -4.36 0.06 0.00 -1.68 0.00 0.00 37.83 31.72 2k0f s LYS 111 CO 0.01 -1.63 1.10 -0.51 -0.76 0.00 0.00 175.35 173.56 2k0f s LEU 112 N 2.90 2.65 0.45 3.17 1.43 -1.26 -5.07 118.68 122.95 2k0f s LEU 112 Ca 0.18 1.24 0.08 0.00 -1.03 0.00 0.00 54.13 54.59 2k0f s LEU 112 Cb -0.19 -3.89 0.01 0.00 0.03 0.00 0.00 46.19 42.16 2k0f s LEU 112 CO 0.04 -1.83 0.52 0.42 0.23 0.00 0.00 176.35 175.73 2k0f s THR 113 N -3.22 2.63 0.27 5.49 -4.23 -1.26 -4.97 115.64 110.34 2k0f s THR 113 Ca 0.60 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.93 2k0f s THR 113 Cb -0.13 -2.80 0.10 0.00 1.34 0.00 0.00 72.50 71.00 2k0f s THR 113 CO 0.53 0.00 1.75 0.44 -0.54 0.00 0.00 174.62 176.80 2k0f h ASP 114 N 0.73 0.69 -0.66 3.99 3.32 -1.99 -1.67 116.42 120.83 2k0f h ASP 114 Ca -0.39 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 2k0f h ASP 114 Cb 1.28 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2k0f h ASP 114 CO 0.50 0.80 0.31 -0.08 -1.72 0.00 0.00 179.24 179.05 2k0f h GLU 115 N 0.65 0.96 -0.52 3.56 4.81 -1.99 -1.82 114.58 120.23 2k0f h GLU 115 Ca 0.12 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 2k0f h GLU 115 Cb 0.51 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2k0f h GLU 115 CO 0.03 0.77 -0.15 0.93 -0.73 0.00 0.00 179.01 179.86 2k0f h GLU 116 N 0.92 1.01 -0.67 1.92 5.08 -1.89 -2.02 114.58 118.93 2k0f h GLU 116 Ca 0.23 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 116 Cb 0.13 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2k0f h GLU 116 CO -0.03 1.08 0.44 0.28 -1.00 0.00 0.00 179.01 179.78 2k0f h VAL 117 N 0.89 1.14 0.07 3.13 2.07 -1.18 -1.91 116.25 120.47 2k0f h VAL 117 Ca 0.13 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2k0f h VAL 117 Cb 0.72 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2k0f h VAL 117 CO 0.06 0.16 -0.04 -0.78 0.02 0.00 0.00 177.57 176.99 2k0f h ASP 118 N 0.88 -0.08 -1.04 0.57 3.58 -1.33 -1.02 116.42 117.98 2k0f h ASP 118 Ca 0.26 -0.10 0.27 0.00 0.42 0.00 0.00 57.03 57.87 2k0f h ASP 118 Cb -0.05 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 40.92 2k0f h ASP 118 CO -0.08 0.04 0.66 -0.08 -2.88 0.00 0.00 179.24 176.91 2k0f h GLU 119 N -0.21 0.40 0.13 0.28 4.81 -1.15 -0.64 114.58 118.20 2k0f h GLU 119 Ca -0.01 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.90 2k0f h GLU 119 Cb 0.18 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2k0f h GLU 119 CO 0.02 0.26 -1.41 0.52 -0.73 0.00 0.00 179.01 177.67 2k0f h MET 120 N 0.41 0.27 -0.01 1.92 2.86 -1.10 -1.25 114.93 118.04 2k0f h MET 120 Ca 0.60 -0.47 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 2k0f h MET 120 Cb 1.48 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.30 2k0f h MET 120 CO -0.32 1.17 -0.45 0.82 1.06 0.00 0.00 176.91 179.20 2k0f h ILE 121 N 0.07 1.32 -0.06 -1.22 1.08 -1.09 -1.67 117.51 115.95 2k0f h ILE 121 Ca -0.20 -1.54 -0.01 0.00 -0.39 0.00 0.00 64.86 62.72 2k0f h ILE 121 Cb 2.01 1.81 -0.00 0.00 -3.07 0.00 0.00 36.82 37.57 2k0f h ILE 121 CO 0.18 0.44 -0.01 -0.09 -0.69 0.00 0.00 178.15 177.99 2k0f h ARG 122 N 0.03 0.11 0.28 2.37 2.43 -1.12 -2.25 114.38 116.23 2k0f h ARG 122 Ca -0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2k0f h ARG 122 Cb 0.80 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2k0f h ARG 122 CO 0.06 0.42 -0.18 1.49 -1.51 0.00 0.00 179.97 180.25 2k0f h GLU 123 N -0.21 -0.44 0.00 0.20 4.81 -1.20 -3.40 114.58 114.34 2k0f h GLU 123 Ca 0.02 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 123 Cb 0.38 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2k0f h GLU 123 CO 0.00 -0.29 -0.30 0.00 -0.73 0.00 0.00 179.01 177.69 2k0f h ALA 124 N 0.24 0.03 -2.31 2.92 0.00 -1.37 -3.44 119.26 115.33 2k0f h ALA 124 Ca -0.03 -0.37 -0.75 0.00 0.00 0.00 0.00 54.91 53.77 2k0f h ALA 124 Cb 0.39 0.24 -0.22 0.00 0.00 0.00 0.00 17.79 18.20 2k0f h ALA 124 CO 0.02 0.24 0.58 0.34 0.00 0.00 0.00 179.25 180.43 2k0f s ASP 125 N -5.85 6.82 0.17 0.00 2.15 -0.85 -4.90 116.67 114.21 2k0f s ASP 125 Ca -0.11 -2.58 -0.10 0.00 0.43 0.00 0.00 52.55 50.19 2k0f s ASP 125 Cb 0.01 -2.31 0.07 0.00 -0.30 0.00 0.00 42.92 40.39 2k0f s ASP 125 CO 0.23 -0.75 1.67 0.40 -0.17 0.00 0.00 175.17 176.55 2k0f h ILE 126 N 5.04 1.26 0.00 4.11 1.08 -1.85 -3.43 117.51 123.73 2k0f h ILE 126 Ca 0.16 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2k0f h ILE 126 Cb 0.99 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2k0f h ILE 126 CO 0.98 0.36 0.00 -0.90 -0.69 0.00 0.00 178.15 177.90 2k0f n ASP 127 N -4.30 0.00 0.00 1.72 5.75 -1.26 -5.01 116.55 113.45 2k0f n ASP 127 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2k0f n ASP 127 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 128 N 0.47 0.66 0.09 6.12 0.00 -1.26 -4.96 105.19 106.30 2k0f n GLY 128 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.95 -3.47 116.42 115.65 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 0.36 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.65 2k0f h ASP 129 CO 0.00 0.77 0.00 0.61 -2.04 0.00 0.00 179.24 178.58 2k0f n GLY 130 N 1.45 0.74 3.05 7.15 0.00 -1.26 -5.03 105.19 111.29 2k0f n GLY 130 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.52 2.23 0.18 1.61 -0.21 -1.26 -4.44 119.66 117.25 2k0f s GLN 131 Ca 0.00 -0.56 -0.31 0.00 0.02 0.00 0.00 55.36 54.51 2k0f s GLN 131 Cb 0.00 -1.92 -0.10 0.00 1.00 0.00 0.00 33.01 31.99 2k0f s GLN 131 CO 0.00 -0.09 1.55 0.08 -2.12 0.00 0.00 175.29 174.71 2k0f s VAL 132 N 1.08 2.60 0.31 1.09 1.01 0.01 -4.75 120.40 121.75 2k0f s VAL 132 Ca -0.05 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2k0f s VAL 132 Cb -0.15 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.98 2k0f s VAL 132 CO -0.03 0.04 0.22 -0.46 0.00 0.00 0.00 175.10 174.87 2k0f n ASN 133 N 3.70 2.02 -0.12 3.32 0.23 -1.26 0.20 115.26 123.34 2k0f n ASN 133 Ca 0.13 -2.07 -0.02 0.00 -0.53 0.00 0.00 54.58 52.09 2k0f n ASN 133 Cb 0.39 -0.01 0.22 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.62 0.81 -0.07 -2.53 3.20 -1.98 -1.78 116.97 115.24 2k0f h TYR 134 Ca -0.20 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.56 2k0f h TYR 134 Cb 0.71 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2k0f h TYR 134 CO 0.00 0.66 -0.16 1.05 -1.64 0.00 0.00 178.16 178.07 2k0f h GLU 135 N 0.77 0.23 0.00 1.82 4.11 -1.96 -2.53 114.58 117.02 2k0f h GLU 135 Ca 0.18 -0.16 -0.04 0.00 0.07 0.00 0.00 59.36 59.41 2k0f h GLU 135 Cb 0.24 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 135 CO -0.01 0.76 -0.17 0.93 0.07 0.00 0.00 179.01 180.59 2k0f h GLU 136 N -0.26 0.00 0.27 1.06 5.08 -1.94 0.12 114.58 118.90 2k0f h GLU 136 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 136 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2k0f h GLU 136 CO 0.04 0.17 -0.13 0.35 -1.00 0.00 0.00 179.01 178.44 2k0f h PHE 137 N 0.00 -0.33 -0.47 4.33 3.57 -1.32 -0.62 116.94 122.10 2k0f h PHE 137 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 137 Cb 0.38 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2k0f h PHE 137 CO 0.00 0.01 0.29 0.28 -2.23 0.00 0.00 178.31 176.66 2k0f h VAL 138 N -0.93 1.08 -0.24 1.41 2.07 -0.99 -0.57 116.25 118.08 2k0f h VAL 138 Ca -0.04 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.34 2k0f h VAL 138 Cb 0.50 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 2k0f h VAL 138 CO 0.06 0.11 -0.31 -0.61 0.02 0.00 0.00 177.57 176.84 2k0f h GLN 139 N 0.59 -0.31 -0.54 1.57 4.15 -0.80 0.10 115.11 119.87 2k0f h GLN 139 Ca 0.18 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.70 2k0f h GLN 139 Cb -0.02 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.67 2k0f h GLN 139 CO -0.06 -0.21 0.18 1.98 -1.93 0.00 0.00 178.83 178.79 2k0f h MET 140 N -0.32 0.35 -0.06 1.69 4.05 -0.71 -3.15 114.93 116.77 2k0f h MET 140 Ca 0.13 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 2k0f h MET 140 Cb 0.53 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 2k0f h MET 140 CO -0.42 0.23 -0.00 0.52 0.23 0.00 0.00 176.91 177.46 2k0f h MET 141 N 0.36 0.11 0.00 0.39 2.86 -0.84 -3.51 114.93 114.30 2k0f h MET 141 Ca 0.27 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2k0f h MET 141 Cb 0.32 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2k0f h MET 141 CO -0.28 0.41 0.00 0.25 1.06 0.00 0.00 176.91 178.34