#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 0.13 -0.56 1.09 3.07 -2.06 -1.87 114.58 114.38 2k0f h GLU 2 Ca 0.00 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 2k0f h GLU 2 Cb 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2k0f h GLU 2 CO 0.00 0.09 0.10 0.93 -1.40 0.00 0.00 179.01 178.73 2k0f h GLU 3 N 0.14 0.89 -0.19 2.33 5.08 -2.06 -2.60 114.58 118.17 2k0f h GLU 3 Ca 0.48 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 3 Cb 1.65 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 2k0f h GLU 3 CO -0.08 0.82 -0.48 1.96 -1.00 0.00 0.00 179.01 180.23 2k0f h GLN 4 N 0.85 0.51 -0.44 2.33 4.20 -1.78 -2.97 115.11 117.81 2k0f h GLN 4 Ca 0.18 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2k0f h GLN 4 Cb 0.36 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2k0f h GLN 4 CO 0.01 0.88 0.24 0.82 -0.67 0.00 0.00 178.83 180.10 2k0f h ILE 5 N 0.41 1.14 -0.25 2.54 1.08 -1.51 -0.48 117.51 120.43 2k0f h ILE 5 Ca 0.02 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 2k0f h ILE 5 Cb 0.99 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 2k0f h ILE 5 CO 0.09 0.16 0.01 0.00 -0.69 0.00 0.00 178.15 177.72 2k0f h ALA 6 N 1.65 0.34 -0.47 1.87 0.00 -1.45 -0.87 119.26 120.33 2k0f h ALA 6 Ca 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 6 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2k0f h ALA 6 CO -0.03 0.06 0.13 0.93 0.00 0.00 0.00 179.25 180.34 2k0f h GLU 7 N 0.22 0.70 -0.07 0.00 5.08 -1.28 -1.79 114.58 117.45 2k0f h GLU 7 Ca 0.07 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 7 Cb 0.40 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.54 2k0f h GLU 7 CO 0.01 0.63 -0.64 0.35 -1.00 0.00 0.00 179.01 178.37 2k0f h PHE 8 N 0.69 0.78 -0.41 4.33 3.57 -1.01 -2.80 116.94 122.09 2k0f h PHE 8 Ca 0.16 -0.37 -0.03 0.00 3.53 0.00 0.00 57.97 61.25 2k0f h PHE 8 Cb 0.24 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2k0f h PHE 8 CO 0.01 1.18 0.13 -0.22 -2.23 0.00 0.00 178.31 177.18 2k0f h LYS 9 N 0.16 0.59 0.00 1.11 3.64 -1.10 -1.89 116.57 119.08 2k0f h LYS 9 Ca -0.06 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 2k0f h LYS 9 Cb 1.30 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2k0f h LYS 9 CO 0.13 0.52 -0.20 1.49 -2.27 0.00 0.00 179.45 179.12 2k0f h GLU 10 N 0.58 0.00 0.74 1.90 4.81 -1.28 0.15 114.58 121.49 2k0f h GLU 10 Ca 0.14 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2k0f h GLU 10 Cb 0.18 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.57 2k0f h GLU 10 CO -0.01 0.20 -0.36 0.00 -0.73 0.00 0.00 179.01 178.11 2k0f h ALA 11 N 1.80 -1.00 -0.89 2.92 0.00 -1.16 -3.25 119.26 117.68 2k0f h ALA 11 Ca -0.00 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.75 2k0f h ALA 11 Cb 0.81 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2k0f h ALA 11 CO 0.03 -1.00 0.58 0.35 0.00 0.00 0.00 179.25 179.20 2k0f h PHE 12 N -1.12 1.01 0.00 0.00 3.04 -0.82 -2.22 116.94 116.83 2k0f h PHE 12 Ca -0.10 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.84 2k0f h PHE 12 Cb 0.79 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 2k0f h PHE 12 CO -0.01 0.51 -0.16 1.03 -2.02 0.00 0.00 178.31 177.66 2k0f h SER 13 N 0.98 0.00 0.44 0.41 0.87 -0.83 0.23 113.55 115.64 2k0f h SER 13 Ca 0.39 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.93 2k0f h SER 13 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2k0f h SER 13 CO -0.15 0.16 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.03 2k0f h LEU 14 N 0.00 -0.50 0.20 2.23 3.38 -1.43 -3.36 115.31 115.83 2k0f h LEU 14 Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2k0f h LEU 14 Cb 0.49 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2k0f h LEU 14 CO 0.02 -0.25 -0.09 -0.26 0.09 0.00 0.00 178.44 177.95 2k0f h PHE 15 N -0.73 -0.24 -3.42 1.13 -1.00 -1.51 -3.45 116.94 107.72 2k0f h PHE 15 Ca -0.06 -0.01 -0.52 0.00 2.81 0.00 0.00 57.97 60.19 2k0f h PHE 15 Cb 0.52 0.08 0.03 0.00 3.61 0.00 0.00 35.95 40.19 2k0f h PHE 15 CO -0.01 -0.15 0.63 0.34 -1.61 0.00 0.00 178.31 177.50 2k0f s ASP 16 N -4.96 6.95 -0.08 2.17 2.15 0.06 -4.70 116.67 118.25 2k0f s ASP 16 Ca -0.14 2.36 0.13 0.00 0.43 0.00 0.00 52.55 55.32 2k0f s ASP 16 Cb 0.05 -2.61 -0.18 0.00 -0.30 0.00 0.00 42.92 39.88 2k0f s ASP 16 CO 0.65 -0.49 0.16 1.17 -0.17 0.00 0.00 175.17 176.49 2k0f n LYS 17 N 2.56 1.24 0.02 4.34 4.81 -1.26 -4.33 118.16 125.54 2k0f n LYS 17 Ca 0.05 -0.06 -0.19 0.00 -0.87 0.00 0.00 58.31 57.24 2k0f n LYS 17 Cb 0.43 -1.33 -0.09 0.00 0.02 0.00 0.00 35.03 34.06 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2k0f h ASP 18 N 0.00 0.91 0.00 3.14 3.32 -1.96 -3.48 116.42 118.36 2k0f h ASP 18 Ca -0.19 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 56.16 2k0f h ASP 18 Cb 1.28 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2k0f h ASP 18 CO 0.01 1.49 0.00 0.61 -1.72 0.00 0.00 179.24 179.63 2k0f n GLY 19 N 0.97 0.83 0.00 2.75 0.00 -1.26 -5.06 105.19 103.42 2k0f n GLY 19 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.39 0.00 0.00 1.61 5.68 -1.26 -5.02 116.55 117.95 2k0f n ASP 20 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 2k0f n ASP 20 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 2.69 0.00 2.75 6.12 0.00 -1.26 -5.13 105.19 110.36 2k0f n GLY 21 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 0.25 -0.17 2.61 -4.23 -1.26 -4.44 115.64 108.39 2k0f s THR 22 Ca 0.00 0.19 -0.22 0.00 -1.18 0.00 0.00 61.69 60.48 2k0f s THR 22 Cb 0.00 -0.43 -0.02 0.00 1.34 0.00 0.00 72.50 73.38 2k0f s THR 22 CO 0.00 0.24 0.68 -0.63 -0.54 0.00 0.00 174.62 174.37 2k0f s ILE 23 N 1.98 4.99 0.97 2.99 1.01 -0.99 -4.93 121.20 127.22 2k0f s ILE 23 Ca 0.04 1.31 -0.16 0.00 0.00 0.00 0.00 60.65 61.85 2k0f s ILE 23 Cb -0.12 -4.00 0.19 0.00 0.01 0.00 0.00 42.46 38.54 2k0f s ILE 23 CO -0.05 0.11 1.27 0.42 0.00 0.00 0.00 174.94 176.70 2k0f s THR 24 N 1.82 1.95 0.15 2.92 -4.23 -1.26 -1.91 115.64 115.08 2k0f s THR 24 Ca 0.32 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.63 2k0f s THR 24 Cb -0.16 -2.93 0.04 0.00 1.34 0.00 0.00 72.50 70.79 2k0f s THR 24 CO 0.12 0.00 1.65 0.71 -0.54 0.00 0.00 174.62 176.56 2k0f h THR 25 N -1.67 0.53 -0.28 3.99 1.35 -1.95 -3.09 112.91 111.79 2k0f h THR 25 Ca -0.45 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.32 2k0f h THR 25 Cb 1.26 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 2k0f h THR 25 CO 0.42 0.00 -0.22 0.11 -0.25 0.00 0.00 175.52 175.58 2k0f h LYS 26 N -0.13 0.52 0.00 4.72 1.57 -1.98 0.11 116.57 121.38 2k0f h LYS 26 Ca 0.15 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 2k0f h LYS 26 Cb 0.36 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2k0f h LYS 26 CO -0.36 0.71 -0.52 0.93 -0.57 0.00 0.00 179.45 179.64 2k0f h GLU 27 N 0.47 0.00 0.16 3.15 5.08 -1.91 -1.03 114.58 120.49 2k0f h GLU 27 Ca 0.07 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 27 Cb 0.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2k0f h GLU 27 CO 0.05 0.52 -1.50 1.25 -1.00 0.00 0.00 179.01 178.32 2k0f h LEU 28 N 0.00 0.54 0.08 1.33 5.85 -1.40 -3.16 115.31 118.55 2k0f h LEU 28 Ca -0.01 -0.91 -0.00 0.00 0.84 0.00 0.00 57.88 57.80 2k0f h LEU 28 Cb 1.15 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2k0f h LEU 28 CO 0.07 1.68 -0.04 1.23 -0.34 0.00 0.00 178.44 181.03 2k0f h GLY 29 N 0.27 -0.12 -0.90 3.75 0.00 -0.74 -3.16 103.07 102.17 2k0f h GLY 29 Ca -0.30 0.04 0.23 0.00 0.00 0.00 0.00 47.33 47.31 2k0f h GLY 29 CO 0.14 -0.04 -0.03 2.41 0.00 0.00 0.00 176.54 179.02 2k0f n THR 30 N -5.01 -0.38 0.06 4.70 -1.04 -0.40 -1.84 114.28 110.38 2k0f n THR 30 Ca -0.08 1.99 -0.05 0.00 -2.04 0.00 0.00 64.05 63.87 2k0f n THR 30 Cb 0.18 -2.88 -0.10 0.00 -1.82 0.00 0.00 70.33 65.71 2k0f n THR 30 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2k0f h VAL 31 N 0.00 1.45 0.00 12.58 3.04 -1.52 -1.53 116.25 130.27 2k0f h VAL 31 Ca 0.52 -3.11 -0.10 0.00 -1.01 0.00 0.00 66.70 63.01 2k0f h VAL 31 Cb 1.04 2.71 -0.01 0.00 -2.01 0.00 0.00 31.29 33.01 2k0f h VAL 31 CO -0.86 0.82 -0.46 0.24 -1.01 0.00 0.00 177.57 176.31 2k0f h MET 32 N 0.00 0.00 0.00 4.17 2.86 -1.50 -1.92 114.93 118.54 2k0f h MET 32 Ca -0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2k0f h MET 32 Cb 1.73 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.38 2k0f h MET 32 CO 0.11 0.46 -0.25 -0.09 1.06 0.00 0.00 176.91 178.20 2k0f h ARG 33 N 0.00 0.00 -0.32 1.72 2.43 -1.14 -1.58 114.38 115.49 2k0f h ARG 33 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2k0f h ARG 33 Cb 1.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2k0f h ARG 33 CO 0.06 0.25 -0.41 0.77 -1.51 0.00 0.00 179.97 179.13 2k0f h SER 34 N 0.00 0.85 0.28 -3.80 0.02 -0.76 -3.35 113.55 106.79 2k0f h SER 34 Ca -0.00 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 2k0f h SER 34 Cb 1.07 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2k0f h SER 34 CO 0.03 1.15 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.66 2k0f h LEU 35 N 0.65 -0.32 0.00 5.07 4.07 -1.25 -3.45 115.31 120.08 2k0f h LEU 35 Ca 0.05 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.85 2k0f h LEU 35 Cb 0.97 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.79 2k0f h LEU 35 CO 0.09 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.06 2k0f n GLY 36 N -0.46 0.00 3.95 0.83 0.00 -0.84 -5.05 105.19 103.62 2k0f n GLY 36 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 3.21 -1.11 1.61 -1.52 -0.65 -4.99 119.66 116.21 2k0f s GLN 37 Ca 0.00 -0.92 -0.08 0.00 -1.95 0.00 0.00 55.36 52.41 2k0f s GLN 37 Cb 0.00 -2.79 0.28 0.00 -0.22 0.00 0.00 33.01 30.28 2k0f s GLN 37 CO 0.00 0.28 1.24 -1.71 -0.25 0.00 0.00 175.29 174.84 2k0f n ASN 38 N -1.46 5.76 -4.77 5.90 5.15 -1.26 -4.04 115.26 120.53 2k0f n ASN 38 Ca -0.05 -3.14 -0.38 0.00 -0.60 0.00 0.00 54.58 50.41 2k0f n ASN 38 Cb 0.58 -1.36 -0.05 0.00 -0.53 0.00 0.00 39.78 38.41 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k0f s PRO 39 N -1.59 4.51 0.37 1.20 0.04 -1.26 -5.06 135.00 133.21 2k0f s PRO 39 Ca 0.31 1.46 0.07 0.00 0.04 0.00 0.00 61.00 62.89 2k0f s PRO 39 Cb -0.06 -2.84 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 2k0f s PRO 39 CO -0.03 0.19 0.39 -0.08 0.04 0.00 0.00 177.00 177.50 2k0f s THR 40 N -1.52 3.26 0.15 1.26 -1.32 -1.26 -5.06 115.64 111.15 2k0f s THR 40 Ca 0.50 -1.25 -0.14 0.00 -1.21 0.00 0.00 61.69 59.59 2k0f s THR 40 Cb -0.22 -3.13 0.02 0.00 -1.51 0.00 0.00 72.50 67.66 2k0f s THR 40 CO 0.28 -0.09 1.67 -0.33 -2.21 0.00 0.00 174.62 173.94 2k0f h GLU 41 N 1.04 0.74 -0.73 7.08 4.39 -1.99 -3.15 114.58 121.95 2k0f h GLU 41 Ca -0.43 -0.16 0.11 0.00 0.34 0.00 0.00 59.36 59.22 2k0f h GLU 41 Cb 1.26 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.72 2k0f h GLU 41 CO 0.55 0.69 0.34 0.00 -1.16 0.00 0.00 179.01 179.44 2k0f h ALA 42 N 1.01 1.02 -0.07 3.43 0.00 -1.98 0.08 119.26 122.75 2k0f h ALA 42 Ca 0.15 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 2k0f h ALA 42 Cb 0.26 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k0f h ALA 42 CO -0.01 -0.10 -0.75 1.49 0.00 0.00 0.00 179.25 179.88 2k0f h GLU 43 N 0.56 0.63 -0.70 0.00 4.81 -1.99 -2.90 114.58 114.97 2k0f h GLU 43 Ca 0.38 -0.59 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 2k0f h GLU 43 Cb 0.46 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2k0f h GLU 43 CO -0.31 1.20 0.26 -0.07 -0.73 0.00 0.00 179.01 179.35 2k0f h LEU 44 N 0.26 0.99 -0.91 1.64 3.38 -1.42 -0.99 115.31 118.26 2k0f h LEU 44 Ca -0.08 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.81 2k0f h LEU 44 Cb 1.41 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 2k0f h LEU 44 CO 0.15 0.91 0.55 -0.61 0.09 0.00 0.00 178.44 179.53 2k0f h GLN 45 N 1.01 0.87 -0.54 1.13 4.15 -1.08 0.24 115.11 120.90 2k0f h GLN 45 Ca 0.23 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 2k0f h GLN 45 Cb 0.25 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 2k0f h GLN 45 CO -0.01 0.58 0.29 0.22 -1.93 0.00 0.00 178.83 177.98 2k0f h ASP 46 N 0.90 0.67 -0.37 -0.69 3.58 -1.06 0.11 116.42 119.57 2k0f h ASP 46 Ca 0.44 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 2k0f h ASP 46 Cb 0.40 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 2k0f h ASP 46 CO -0.25 0.58 0.19 0.24 -2.88 0.00 0.00 179.24 177.12 2k0f h MET 47 N 0.72 0.52 0.43 0.28 2.86 -0.66 -2.59 114.93 116.49 2k0f h MET 47 Ca 0.19 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2k0f h MET 47 Cb 0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2k0f h MET 47 CO -0.03 0.44 -0.37 0.82 1.06 0.00 0.00 176.91 178.83 2k0f h ILE 48 N 0.46 0.00 -0.88 -1.22 1.08 -0.52 -3.17 117.51 113.26 2k0f h ILE 48 Ca 0.13 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.76 2k0f h ILE 48 Cb 0.08 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.67 2k0f h ILE 48 CO -0.02 0.00 -0.28 0.59 -0.69 0.00 0.00 178.15 177.75 2k0f n ASN 49 N -4.68 -0.44 0.13 1.72 4.13 0.37 -2.11 115.26 114.38 2k0f n ASN 49 Ca -0.09 1.53 0.01 0.00 1.68 0.00 0.00 54.58 57.70 2k0f n ASN 49 Cb 0.35 -0.41 0.33 0.00 -1.54 0.00 0.00 39.78 38.51 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2k0f h GLU 50 N 0.00 0.18 0.00 3.52 4.39 -1.44 -2.78 114.58 118.46 2k0f h GLU 50 Ca 0.37 -0.06 -0.22 0.00 0.34 0.00 0.00 59.36 59.79 2k0f h GLU 50 Cb 0.59 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 2k0f h GLU 50 CO -0.89 0.45 -2.06 1.33 -1.16 0.00 0.00 179.01 176.67 2k0f n VAL 51 N -4.16 0.93 -1.73 3.13 0.24 -1.05 -4.86 118.33 110.84 2k0f n VAL 51 Ca -0.01 -0.72 -0.43 0.00 -2.04 0.00 0.00 64.34 61.15 2k0f n VAL 51 Cb 0.37 -0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 32.32 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 -5.27 5.98 -0.16 -1.34 2.15 -0.90 -4.85 116.67 112.28 2k0f s ASP 52 Ca -0.08 2.12 0.09 0.00 0.43 0.00 0.00 52.55 55.10 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 0.85 -1.51 -0.03 0.00 -0.17 0.00 0.00 175.17 174.31 2k0f n ALA 53 N 9.60 1.62 -1.00 3.66 0.00 -1.26 -4.78 120.51 128.35 2k0f n ALA 53 Ca 0.24 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2k0f n ALA 53 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.74 0.00 0.00 0.00 5.68 -1.26 -5.06 116.55 113.17 2k0f n ASP 54 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.01 2k0f n ASP 54 Cb 0.93 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 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 2.07 0.00 0.07 6.12 0.00 -1.26 -5.02 105.19 107.16 2k0f n GLY 55 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.04 0.00 1.61 7.08 -1.97 -3.47 115.58 118.87 2k0f h ASN 56 Ca 0.00 -0.04 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 2k0f h ASN 56 Cb 0.00 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.23 2k0f h ASN 56 CO 0.00 1.02 0.00 0.61 -2.08 0.00 0.00 177.43 176.98 2k0f n GLY 57 N 1.32 0.71 3.71 9.14 0.00 -1.26 -5.09 105.19 113.72 2k0f n GLY 57 Ca -0.01 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 4.07 -0.26 2.61 -4.23 -1.26 -4.55 115.64 110.02 2k0f s THR 58 Ca 0.00 -1.10 -0.29 0.00 -1.18 0.00 0.00 61.69 59.12 2k0f s THR 58 Cb 0.00 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.85 2k0f s THR 58 CO 0.00 0.02 1.09 -0.51 -0.54 0.00 0.00 174.62 174.67 2k0f s ILE 59 N -1.51 4.55 0.66 2.99 2.07 -0.80 -4.81 121.20 124.36 2k0f s ILE 59 Ca 0.27 1.84 0.06 0.00 -1.41 0.00 0.00 60.65 61.41 2k0f s ILE 59 Cb -0.11 -4.32 0.12 0.00 0.13 0.00 0.00 42.46 38.28 2k0f s ILE 59 CO 0.20 -0.31 0.91 -1.81 -1.91 0.00 0.00 174.94 172.02 2k0f s ASP 60 N 1.52 4.68 -0.01 4.50 1.01 -1.26 -2.36 116.67 124.75 2k0f s ASP 60 Ca 0.46 -0.76 -0.25 0.00 0.71 0.00 0.00 52.55 52.71 2k0f s ASP 60 Cb -0.15 0.38 -0.18 0.00 1.01 0.00 0.00 42.92 43.98 2k0f s ASP 60 CO 0.11 -1.66 1.26 -0.26 0.21 0.00 0.00 175.17 174.83 2k0f h PHE 61 N -0.18 -0.12 -0.82 4.23 -1.00 -1.96 -0.93 116.94 116.17 2k0f h PHE 61 Ca -0.30 -0.00 0.24 0.00 2.81 0.00 0.00 57.97 60.71 2k0f h PHE 61 Cb 1.28 0.04 -0.03 0.00 3.61 0.00 0.00 35.95 40.84 2k0f h PHE 61 CO 0.15 0.29 0.59 -1.35 -1.61 0.00 0.00 178.31 176.37 2k0f h PRO 62 N -0.55 0.02 0.38 1.51 0.11 -1.98 -1.65 132.00 129.84 2k0f h PRO 62 Ca -0.01 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2k0f h PRO 62 Cb 0.46 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2k0f h PRO 62 CO 0.02 0.01 -0.18 0.93 -0.21 0.00 0.00 178.00 178.57 2k0f h GLU 63 N 0.02 -0.49 -0.98 1.05 5.08 -1.84 0.16 114.58 117.57 2k0f h GLU 63 Ca 0.39 0.03 0.34 0.00 -1.00 0.00 0.00 59.36 59.13 2k0f h GLU 63 Cb 1.54 0.11 -0.18 0.00 0.50 0.00 0.00 28.75 30.72 2k0f h GLU 63 CO -0.01 -0.31 0.28 0.34 -1.00 0.00 0.00 179.01 178.31 2k0f n PHE 64 N -5.12 0.89 -0.05 4.33 -0.00 -0.38 -1.13 117.46 116.01 2k0f n PHE 64 Ca -0.07 1.17 -0.14 0.00 -0.00 0.00 0.00 57.45 58.41 2k0f n PHE 64 Cb 0.21 -1.40 -0.07 0.00 -0.00 0.00 0.00 39.48 38.22 2k0f n PHE 64 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2k0f h LEU 65 N 0.00 0.56 -0.53 -2.13 3.38 -1.21 -3.02 115.31 112.36 2k0f h LEU 65 Ca 0.72 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2k0f h LEU 65 Cb 1.73 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.29 2k0f h LEU 65 CO -0.83 1.01 0.32 0.74 0.09 0.00 0.00 178.44 179.77 2k0f h THR 66 N 0.14 1.16 -0.82 0.22 2.02 -0.02 -2.93 112.91 112.68 2k0f h THR 66 Ca 0.01 -0.37 0.18 0.00 0.77 0.00 0.00 66.41 67.00 2k0f h THR 66 Cb 0.92 0.45 -0.15 0.00 -1.74 0.00 0.00 68.15 67.63 2k0f h THR 66 CO 0.07 0.17 -0.08 -0.03 0.37 0.00 0.00 175.52 176.02 2k0f h MET 67 N 0.71 0.04 0.00 6.66 -1.53 -1.16 -1.61 114.93 118.05 2k0f h MET 67 Ca 0.19 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.45 2k0f h MET 67 Cb -0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.03 2k0f h MET 67 CO -0.04 0.03 -0.89 -1.33 0.14 0.00 0.00 176.91 174.83 2k0f n MET 68 N -5.45 0.20 -0.10 0.39 2.81 -1.14 -4.37 117.12 109.46 2k0f n MET 68 Ca 0.14 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.92 2k0f n MET 68 Cb 0.49 -1.57 -0.13 0.00 -0.71 0.00 0.00 33.22 31.30 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f n ALA 69 N -1.73 1.52 -1.80 3.04 0.00 -0.75 -4.93 120.51 115.86 2k0f n ALA 69 Ca 0.03 -1.14 -0.35 0.00 0.00 0.00 0.00 53.44 51.98 2k0f n ALA 69 Cb 0.41 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 2k0f n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k0f s ARG 70 N -2.46 4.36 0.08 0.00 0.52 -0.68 -5.09 118.95 115.69 2k0f s ARG 70 Ca -0.18 1.25 0.03 0.00 -0.52 0.00 0.00 55.73 56.31 2k0f s ARG 70 Cb 0.07 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 2k0f s ARG 70 CO 0.67 0.08 -0.09 -1.59 0.02 0.00 0.00 175.30 174.39 2k0f s LYS 71 N -2.65 0.77 0.00 3.54 -2.85 -1.26 -4.93 119.74 112.36 2k0f s LYS 71 Ca 0.57 -1.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.44 2k0f s LYS 71 Cb -0.14 -0.41 0.00 0.00 -2.06 0.00 0.00 37.83 35.21 2k0f s LYS 71 CO 0.19 0.05 0.00 -1.33 0.10 0.00 0.00 175.35 174.36 2k0f n MET 72 N 0.65 3.68 -1.73 1.78 2.81 -1.26 -5.13 117.12 117.91 2k0f n MET 72 Ca -0.17 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.43 2k0f n MET 72 Cb 0.58 0.00 0.11 0.00 -0.71 0.00 0.00 33.22 33.19 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N 2.63 1.67 0.00 0.03 -2.85 -1.26 -4.87 119.74 115.09 2k0f s LYS 73 Ca 0.00 0.23 0.05 0.00 -1.00 0.00 0.00 55.97 55.25 2k0f s LYS 73 Cb 0.00 -1.91 0.24 0.00 -2.06 0.00 0.00 37.83 34.11 2k0f s LYS 73 CO 0.00 -1.82 1.10 -0.25 0.10 0.00 0.00 175.35 174.48 2k0f n ASP 74 N -3.49 0.00 0.02 0.03 8.00 -1.26 -2.59 116.55 117.26 2k0f n ASP 74 Ca 0.07 0.37 -0.19 0.00 0.71 0.00 0.00 54.79 55.75 2k0f n ASP 74 Cb 0.60 -0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.18 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 0.00 1.41 -0.37 -3.53 1.35 -2.02 -3.32 112.91 106.43 2k0f h THR 75 Ca 0.00 -2.21 -0.06 0.00 -0.55 0.00 0.00 66.41 63.60 2k0f h THR 75 Cb 0.07 2.68 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 2k0f h THR 75 CO 0.00 0.65 0.01 -0.78 -0.25 0.00 0.00 175.52 175.15 2k0f h ASP 76 N -0.06 0.64 0.47 5.36 3.58 -1.87 -2.82 116.42 121.72 2k0f h ASP 76 Ca -0.10 -0.30 -0.00 0.00 0.42 0.00 0.00 57.03 57.04 2k0f h ASP 76 Cb 1.46 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.34 2k0f h ASP 76 CO 0.14 0.78 -0.02 0.77 -2.88 0.00 0.00 179.24 178.04 2k0f h SER 77 N 0.48 0.00 0.18 2.28 4.64 -1.70 -2.15 113.55 117.28 2k0f h SER 77 Ca 0.11 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.19 2k0f h SER 77 Cb 0.45 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.57 2k0f h SER 77 CO 0.02 0.02 -1.06 -0.08 -0.87 0.00 0.00 176.83 174.85 2k0f h GLU 78 N 0.00 0.39 -0.33 4.77 4.81 -1.59 -3.32 114.58 119.31 2k0f h GLU 78 Ca -0.00 -0.67 -0.09 0.00 -0.13 0.00 0.00 59.36 58.48 2k0f h GLU 78 Cb 0.25 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 78 CO 0.00 1.32 -0.12 0.93 -0.73 0.00 0.00 179.01 180.41 2k0f h GLU 79 N -0.18 0.67 -0.73 1.92 4.39 -1.45 -1.16 114.58 118.05 2k0f h GLU 79 Ca -0.19 -0.28 0.12 0.00 0.34 0.00 0.00 59.36 59.36 2k0f h GLU 79 Cb 1.84 -0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 30.33 2k0f h GLU 79 CO 0.20 0.87 -0.35 1.49 -1.16 0.00 0.00 179.01 180.06 2k0f h GLU 80 N 0.45 -0.10 -0.21 2.33 4.81 -1.56 0.12 114.58 120.41 2k0f h GLU 80 Ca 0.08 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2k0f h GLU 80 Cb 0.64 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2k0f h GLU 80 CO 0.04 -0.07 0.07 0.82 -0.73 0.00 0.00 179.01 179.14 2k0f h ILE 81 N -0.10 0.94 -0.50 2.32 1.08 -1.63 -2.55 117.51 117.07 2k0f h ILE 81 Ca 0.27 -0.06 0.06 0.00 -0.39 0.00 0.00 64.86 64.75 2k0f h ILE 81 Cb 0.57 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 35.02 2k0f h ILE 81 CO -0.78 0.03 0.21 0.03 -0.69 0.00 0.00 178.15 176.94 2k0f h ARG 82 N 0.17 0.39 -0.82 2.37 3.08 -0.62 0.14 114.38 119.08 2k0f h ARG 82 Ca 0.09 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2k0f h ARG 82 Cb 0.07 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2k0f h ARG 82 CO -0.10 0.26 0.36 0.93 -1.07 0.00 0.00 179.97 180.35 2k0f h GLU 83 N 0.41 1.20 -0.73 0.04 4.39 -0.82 -2.16 114.58 116.91 2k0f h GLU 83 Ca 0.23 -0.20 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2k0f h GLU 83 Cb 0.21 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 2k0f h GLU 83 CO -0.21 0.95 0.45 0.00 -1.16 0.00 0.00 179.01 179.03 2k0f h ALA 84 N 1.21 0.97 -0.35 3.43 0.00 -1.02 -2.73 119.26 120.77 2k0f h ALA 84 Ca 0.28 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 2k0f h ALA 84 Cb 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k0f h ALA 84 CO -0.03 0.20 -0.44 0.35 0.00 0.00 0.00 179.25 179.33 2k0f h PHE 85 N 0.85 1.11 0.00 0.00 3.04 -0.93 -2.13 116.94 118.88 2k0f h PHE 85 Ca 0.31 -0.35 0.00 0.00 3.98 0.00 0.00 57.97 61.90 2k0f h PHE 85 Cb 0.08 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.37 2k0f h PHE 85 CO -0.05 1.18 0.00 -0.09 -2.02 0.00 0.00 178.31 177.33 2k0f h ARG 86 N 0.73 0.00 -0.12 1.11 2.43 -1.24 0.27 114.38 117.56 2k0f h ARG 86 Ca 0.05 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 2k0f h ARG 86 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2k0f h ARG 86 CO 0.10 0.00 -0.28 0.28 -1.51 0.00 0.00 179.97 178.57 2k0f h VAL 87 N 0.00 1.38 0.23 0.20 2.07 -1.07 -3.37 116.25 115.69 2k0f h VAL 87 Ca 0.00 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 2k0f h VAL 87 Cb 0.00 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2k0f h VAL 87 CO 0.00 0.46 -0.11 -0.26 0.02 0.00 0.00 177.57 177.68 2k0f h PHE 88 N -0.03 -0.29 -3.69 1.57 0.04 -0.99 -3.46 116.94 110.09 2k0f h PHE 88 Ca -0.00 -0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.19 2k0f h PHE 88 Cb 0.88 0.09 -0.08 0.00 2.20 0.00 0.00 35.95 39.05 2k0f h PHE 88 CO 0.11 -0.18 0.86 0.34 -0.60 0.00 0.00 178.31 178.84 2k0f s ASP 89 N -4.52 6.60 -0.11 2.17 2.15 0.75 -4.84 116.67 118.87 2k0f s ASP 89 Ca -0.05 0.38 -0.17 0.00 0.43 0.00 0.00 52.55 53.14 2k0f s ASP 89 Cb 0.00 -2.53 -0.14 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 89 CO 0.14 -1.23 0.52 0.50 -0.17 0.00 0.00 175.17 174.93 2k0f h LYS 90 N 9.22 -0.05 0.00 4.34 1.63 -1.88 -3.22 116.57 126.62 2k0f h LYS 90 Ca -0.23 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2k0f h LYS 90 Cb 1.06 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2k0f h LYS 90 CO 1.11 0.47 -0.25 -0.40 -3.45 0.00 0.00 179.45 176.93 2k0f n ASP 91 N -4.74 0.57 -0.08 4.20 5.68 -1.26 -4.95 116.55 115.96 2k0f n ASP 91 Ca -0.06 0.32 -0.01 0.00 -0.50 0.00 0.00 54.79 54.54 2k0f n ASP 91 Cb 0.26 -0.32 -0.00 0.00 -1.14 0.00 0.00 41.12 39.92 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 1.38 0.36 0.18 6.12 0.00 -1.22 -4.95 105.19 107.07 2k0f n GLY 92 Ca 0.05 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 7.08 -1.92 -3.47 115.58 118.88 2k0f h ASN 93 Ca -0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 2k0f h ASN 93 Cb 0.81 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.05 2k0f h ASN 93 CO 0.02 0.03 0.00 0.61 -2.08 0.00 0.00 177.43 176.02 2k0f n GLY 94 N 1.14 1.21 3.22 9.14 0.00 -1.26 -5.07 105.19 113.57 2k0f n GLY 94 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 -0.39 -0.33 1.61 2.02 -1.26 -3.43 117.35 113.57 2k0f s TYR 95 Ca 0.00 0.94 -0.08 0.00 -0.37 0.00 0.00 57.07 57.56 2k0f s TYR 95 Cb 0.00 0.14 0.02 0.00 -0.40 0.00 0.00 41.96 41.71 2k0f s TYR 95 CO 0.00 -0.20 0.13 0.42 -1.57 0.00 0.00 175.55 174.32 2k0f s ILE 96 N 0.39 4.15 0.96 2.71 1.01 0.46 -4.85 121.20 126.04 2k0f s ILE 96 Ca -0.02 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 2k0f s ILE 96 Cb -0.04 -3.23 0.23 0.00 0.01 0.00 0.00 42.46 39.44 2k0f s ILE 96 CO -0.02 -0.05 1.05 -0.24 0.00 0.00 0.00 174.94 175.68 2k0f n SER 97 N 4.90 -0.95 -0.06 3.58 2.88 -1.26 -1.43 113.62 121.28 2k0f n SER 97 Ca -0.13 -1.25 -0.08 0.00 -1.33 0.00 0.00 58.87 56.08 2k0f n SER 97 Cb 0.47 -0.88 -0.07 0.00 -0.75 0.00 0.00 64.21 62.98 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k0f h ALA 98 N -2.24 0.02 -0.20 -1.46 0.00 -1.98 -1.56 119.26 111.84 2k0f h ALA 98 Ca -0.37 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.04 2k0f h ALA 98 Cb 1.06 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k0f h ALA 98 CO 0.25 0.07 -0.57 0.00 0.00 0.00 0.00 179.25 179.00 2k0f h ALA 99 N -0.51 0.61 -0.26 0.00 0.00 -1.99 -2.60 119.26 114.52 2k0f h ALA 99 Ca -0.02 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.43 2k0f h ALA 99 Cb 0.57 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2k0f h ALA 99 CO -0.01 0.69 -0.16 1.49 0.00 0.00 0.00 179.25 181.26 2k0f h GLU 100 N 0.49 -0.13 0.14 0.00 4.81 -1.94 -1.49 114.58 116.45 2k0f h GLU 100 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 100 Cb 1.14 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 2k0f h GLU 100 CO 0.11 -0.09 -0.09 1.25 -0.73 0.00 0.00 179.01 179.46 2k0f h LEU 101 N -0.14 -0.24 -0.45 1.64 5.85 -1.20 -3.00 115.31 117.78 2k0f h LEU 101 Ca 0.14 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 101 Cb 0.35 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 2k0f h LEU 101 CO -0.34 -0.15 0.02 -0.09 -0.34 0.00 0.00 178.44 177.54 2k0f h ARG 102 N -0.24 0.13 -0.06 1.25 2.43 -1.23 0.48 114.38 117.15 2k0f h ARG 102 Ca -0.01 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2k0f h ARG 102 Cb 0.20 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 2k0f h ARG 102 CO 0.01 0.09 -0.52 0.45 -1.51 0.00 0.00 179.97 178.49 2k0f h HIS 103 N 0.14 -1.52 -0.75 2.20 3.86 -1.34 0.28 115.15 118.02 2k0f h HIS 103 Ca 0.23 0.05 0.13 0.00 -1.16 0.00 0.00 60.37 59.62 2k0f h HIS 103 Cb 0.32 0.67 -0.09 0.00 1.06 0.00 0.00 27.41 29.38 2k0f h HIS 103 CO -0.27 -0.55 0.33 0.28 0.86 0.00 0.00 177.93 178.58 2k0f h VAL 104 N -0.62 0.72 -0.16 2.45 2.07 -1.35 -2.82 116.25 116.55 2k0f h VAL 104 Ca 0.03 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2k0f h VAL 104 Cb 0.70 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2k0f h VAL 104 CO -0.39 0.09 -0.01 0.24 0.02 0.00 0.00 177.57 177.53 2k0f h MET 105 N 0.51 0.04 -0.84 1.57 2.07 -0.11 -1.74 114.93 116.43 2k0f h MET 105 Ca 0.40 -0.00 0.15 0.00 -2.07 0.00 0.00 59.70 58.18 2k0f h MET 105 Cb 0.55 -0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 30.21 2k0f h MET 105 CO -0.36 0.03 0.55 1.15 1.07 0.00 0.00 176.91 179.35 2k0f h THR 106 N 0.04 0.81 0.00 2.22 2.02 0.08 0.87 112.91 118.95 2k0f h THR 106 Ca 0.07 -0.20 -0.23 0.00 0.77 0.00 0.00 66.41 66.82 2k0f h THR 106 Cb 0.09 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 2k0f h THR 106 CO -0.13 0.11 -1.35 0.78 0.37 0.00 0.00 175.52 175.30 2k0f h ASN 107 N 0.58 0.00 -0.23 4.18 2.35 -1.28 -3.21 115.58 117.97 2k0f h ASN 107 Ca 0.42 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.12 2k0f h ASN 107 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 2k0f h ASN 107 CO -0.17 0.87 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.34 2k0f h LEU 108 N 0.00 0.46 0.00 1.61 3.38 -1.15 -3.41 115.31 116.20 2k0f h LEU 108 Ca -0.16 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2k0f h LEU 108 Cb 1.81 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2k0f h LEU 108 CO 0.08 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.96 2k0f n GLY 109 N -0.12 -0.16 3.16 0.83 0.00 -0.94 -4.80 105.19 103.15 2k0f n GLY 109 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N 0.00 2.82 -0.67 1.61 2.56 0.26 -4.98 118.70 120.29 2k0f s GLU 110 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 54.97 53.95 2k0f s GLU 110 Cb 0.00 -2.25 0.07 0.00 2.00 0.00 0.00 34.13 33.95 2k0f s GLU 110 CO 0.00 0.03 1.00 0.21 -0.56 0.00 0.00 175.26 175.94 2k0f s LYS 111 N 0.71 3.12 -0.19 4.30 2.20 -1.26 -2.10 119.74 126.51 2k0f s LYS 111 Ca -0.11 -0.77 -0.19 0.00 -0.36 0.00 0.00 55.97 54.55 2k0f s LYS 111 Cb -0.16 -4.22 -0.03 0.00 -1.51 0.00 0.00 37.83 31.90 2k0f s LYS 111 CO 0.01 -1.86 0.54 -0.51 -0.36 0.00 0.00 175.35 173.18 2k0f s LEU 112 N 4.26 4.16 0.79 5.43 1.43 -1.26 -5.07 118.68 128.42 2k0f s LEU 112 Ca 0.24 0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 53.95 2k0f s LEU 112 Cb -0.16 -2.76 0.07 0.00 0.03 0.00 0.00 46.19 43.37 2k0f s LEU 112 CO 0.11 -0.19 1.09 0.42 0.23 0.00 0.00 176.35 178.01 2k0f s THR 113 N 1.60 3.15 0.48 5.49 -4.23 -1.26 -4.76 115.64 116.11 2k0f s THR 113 Ca 0.26 0.37 0.35 0.00 -1.18 0.00 0.00 61.69 61.49 2k0f s THR 113 Cb -0.16 -3.10 0.38 0.00 1.34 0.00 0.00 72.50 70.96 2k0f s THR 113 CO 0.10 -0.49 2.20 0.44 -0.54 0.00 0.00 174.62 176.33 2k0f h ASP 114 N -1.08 0.00 -0.39 3.99 5.19 -1.99 -0.72 116.42 121.43 2k0f h ASP 114 Ca -0.47 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.93 2k0f h ASP 114 Cb 1.26 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 2k0f h ASP 114 CO 0.59 0.04 0.19 -0.33 -3.12 0.00 0.00 179.24 176.60 2k0f h GLU 115 N 0.00 0.56 -0.01 3.56 4.39 -2.00 -2.26 114.58 118.83 2k0f h GLU 115 Ca -0.00 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 115 Cb 0.19 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2k0f h GLU 115 CO 0.00 0.50 -0.00 0.93 -1.16 0.00 0.00 179.01 179.28 2k0f h GLU 116 N 0.49 0.01 -0.27 2.33 5.08 -1.54 -2.56 114.58 118.11 2k0f h GLU 116 Ca 0.13 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 116 Cb 0.12 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 116 CO -0.02 0.43 -0.20 0.28 -1.00 0.00 0.00 179.01 178.51 2k0f h VAL 117 N -0.40 0.00 -0.35 3.13 2.07 -1.25 -1.85 116.25 117.59 2k0f h VAL 117 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2k0f h VAL 117 Cb 0.42 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 2k0f h VAL 117 CO 0.00 0.00 -0.08 -0.78 0.02 0.00 0.00 177.57 176.73 2k0f h ASP 118 N -0.04 -0.32 -0.64 0.57 3.58 -1.50 -2.54 116.42 115.53 2k0f h ASP 118 Ca 0.04 0.10 0.08 0.00 0.42 0.00 0.00 57.03 57.68 2k0f h ASP 118 Cb 0.16 0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.36 2k0f h ASP 118 CO -0.28 -0.11 0.31 -0.08 -2.88 0.00 0.00 179.24 176.19 2k0f h GLU 119 N 0.01 0.53 -0.10 0.28 4.81 -1.18 0.42 114.58 119.35 2k0f h GLU 119 Ca 0.17 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2k0f h GLU 119 Cb 0.26 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2k0f h GLU 119 CO -0.36 0.35 -0.06 0.52 -0.73 0.00 0.00 179.01 178.73 2k0f h MET 120 N 0.55 0.22 -0.01 1.92 2.86 -1.30 -1.81 114.93 117.36 2k0f h MET 120 Ca 0.31 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 2k0f h MET 120 Cb 0.29 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 2k0f h MET 120 CO -0.24 0.59 -0.10 0.82 1.06 0.00 0.00 176.91 179.04 2k0f h ILE 121 N -0.15 1.08 -0.14 -1.22 2.04 -1.32 -2.94 117.51 114.85 2k0f h ILE 121 Ca 0.02 -0.37 -0.19 0.00 1.00 0.00 0.00 64.86 65.32 2k0f h ILE 121 Cb 0.53 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2k0f h ILE 121 CO 0.02 0.11 -0.70 -0.09 0.00 0.00 0.00 178.15 177.49 2k0f h ARG 122 N 0.01 0.59 0.00 2.37 2.43 -0.40 -0.59 114.38 118.80 2k0f h ARG 122 Ca 0.00 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 2k0f h ARG 122 Cb 0.19 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2k0f h ARG 122 CO 0.01 1.08 -0.11 1.05 -1.51 0.00 0.00 179.97 180.49 2k0f h GLU 123 N 0.42 0.00 0.00 0.20 4.11 -1.26 -3.32 114.58 114.73 2k0f h GLU 123 Ca -0.03 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.18 2k0f h GLU 123 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2k0f h GLU 123 CO 0.13 0.11 -1.94 0.00 0.07 0.00 0.00 179.01 177.38 2k0f n ALA 124 N -2.16 1.80 -1.78 1.06 0.00 -0.97 -4.96 120.51 113.50 2k0f n ALA 124 Ca 0.00 -0.85 -0.38 0.00 0.00 0.00 0.00 53.44 52.22 2k0f n ALA 124 Cb 0.36 -0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 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 -4.60 7.01 -0.09 0.00 -1.08 -0.27 -4.91 116.67 112.73 2k0f s ASP 125 Ca -0.07 2.05 -0.09 0.00 -0.52 0.00 0.00 52.55 53.92 2k0f s ASP 125 Cb 0.05 -2.59 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 2k0f s ASP 125 CO 0.59 -0.32 -0.20 -0.38 0.52 0.00 0.00 175.17 175.39 2k0f n ILE 126 N 0.38 1.21 0.00 4.11 5.41 -1.26 -4.90 119.36 124.31 2k0f n ILE 126 Ca 0.03 0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2k0f n ILE 126 Cb 0.48 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.50 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 -3.92 0.00 0.00 4.38 5.68 -1.26 -4.99 116.55 116.43 2k0f n ASP 127 Ca -0.15 0.80 0.00 0.00 -0.50 0.00 0.00 54.79 54.93 2k0f n ASP 127 Cb 0.43 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 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 -0.82 0.00 0.07 6.12 0.00 -1.26 -5.03 105.19 104.27 2k0f n GLY 128 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.64 0.00 1.61 5.68 -1.26 -4.89 116.55 118.33 2k0f n ASP 129 Ca 0.00 0.33 0.00 0.00 -0.50 0.00 0.00 54.79 54.62 2k0f n ASP 129 Cb 0.00 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.36 0.53 3.44 6.12 0.00 -1.26 -5.05 105.19 110.34 2k0f n GLY 130 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.12 2.64 -0.26 1.61 -2.07 -1.26 -4.88 119.66 115.32 2k0f s GLN 131 Ca 0.00 -0.71 -0.24 0.00 -1.82 0.00 0.00 55.36 52.59 2k0f s GLN 131 Cb 0.00 -2.40 -0.00 0.00 -1.09 0.00 0.00 33.01 29.52 2k0f s GLN 131 CO 0.00 0.54 0.81 0.08 -1.32 0.00 0.00 175.29 175.40 2k0f s VAL 132 N -0.51 4.83 0.68 3.63 1.01 -0.52 -4.71 120.40 124.81 2k0f s VAL 132 Ca 0.07 1.46 -0.05 0.00 0.00 0.00 0.00 61.98 63.46 2k0f s VAL 132 Cb -0.12 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.21 2k0f s VAL 132 CO 0.01 -0.11 0.97 0.21 0.00 0.00 0.00 175.10 176.19 2k0f s ASN 133 N 1.41 4.85 0.16 3.32 3.04 -1.26 -0.40 114.94 126.07 2k0f s ASN 133 Ca 0.34 0.33 -0.24 0.00 0.04 0.00 0.00 52.86 53.33 2k0f s ASN 133 Cb -0.15 -1.01 0.03 0.00 -1.54 0.00 0.00 41.25 38.59 2k0f s ASN 133 CO 0.09 -1.54 1.60 1.88 -3.04 0.00 0.00 177.10 176.08 2k0f h TYR 134 N -0.49 -0.94 -1.00 0.43 0.05 -1.96 -1.28 116.97 111.78 2k0f h TYR 134 Ca -0.44 0.05 0.21 0.00 0.05 0.00 0.00 58.73 58.61 2k0f h TYR 134 Cb 1.31 0.46 -0.10 0.00 1.01 0.00 0.00 36.73 39.41 2k0f h TYR 134 CO 0.30 -0.39 0.62 0.93 -1.05 0.00 0.00 178.16 178.56 2k0f h GLU 135 N -0.29 0.60 0.00 4.88 4.39 -1.95 -1.86 114.58 120.35 2k0f h GLU 135 Ca 0.15 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2k0f h GLU 135 Cb 0.55 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2k0f h GLU 135 CO -0.50 0.40 0.00 0.93 -1.16 0.00 0.00 179.01 178.67 2k0f h GLU 136 N 0.62 0.00 0.17 2.33 5.08 -1.62 -2.97 114.58 118.19 2k0f h GLU 136 Ca 0.57 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.58 2k0f h GLU 136 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2k0f h GLU 136 CO -0.35 0.00 -1.77 0.35 -1.00 0.00 0.00 179.01 176.24 2k0f h PHE 137 N 0.00 0.66 -0.03 4.33 3.57 -0.57 -3.28 116.94 121.62 2k0f h PHE 137 Ca 0.00 -0.48 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 2k0f h PHE 137 Cb 0.80 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2k0f h PHE 137 CO 0.00 1.66 -0.07 0.28 -2.23 0.00 0.00 178.31 177.95 2k0f h VAL 138 N 0.10 1.44 -0.87 1.41 2.07 -1.46 -3.31 116.25 115.63 2k0f h VAL 138 Ca -0.35 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 65.80 2k0f h VAL 138 Cb 2.08 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 34.11 2k0f h VAL 138 CO 0.16 0.38 0.57 -0.61 0.02 0.00 0.00 177.57 178.09 2k0f h GLN 139 N -0.43 1.04 -0.71 1.57 5.75 -1.64 -1.62 115.11 119.07 2k0f h GLN 139 Ca 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2k0f h GLN 139 Cb 0.65 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 2k0f h GLN 139 CO 0.02 0.69 0.46 0.00 -2.65 0.00 0.00 178.83 177.34 2k0f h MET 140 N 1.07 0.95 0.00 1.69 -0.00 -1.64 -3.18 114.93 113.82 2k0f h MET 140 Ca 0.35 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.70 59.93 2k0f h MET 140 Cb 0.04 -0.21 -0.01 0.00 -0.00 0.00 0.00 31.60 31.42 2k0f h MET 140 CO -0.11 0.64 -0.25 0.52 -0.00 0.00 0.00 176.91 177.71 2k0f h MET 141 N 0.97 0.00 -0.02 -0.10 2.86 -1.42 -3.53 114.93 113.70 2k0f h MET 141 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2k0f h MET 141 Cb -0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2k0f h MET 141 CO -0.05 0.25 0.00 0.25 1.06 0.00 0.00 176.91 178.42