#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 0.52 0.00 -0.78 4.39 -2.05 -1.37 114.58 115.29 2k0f h GLU 2 Ca 0.00 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 2k0f h GLU 2 Cb 0.00 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2k0f h GLU 2 CO 0.00 0.34 -0.35 1.05 -1.16 0.00 0.00 179.01 178.89 2k0f h GLU 3 N 0.53 0.00 -0.10 2.33 4.11 -2.05 -1.07 114.58 118.33 2k0f h GLU 3 Ca 0.23 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.51 2k0f h GLU 3 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 3 CO -0.15 0.35 -0.52 1.96 0.07 0.00 0.00 179.01 180.73 2k0f h GLN 4 N 0.00 0.53 -0.20 1.06 4.20 -1.72 -2.47 115.11 116.52 2k0f h GLN 4 Ca -0.00 -0.43 -0.18 0.00 0.06 0.00 0.00 58.65 58.10 2k0f h GLN 4 Cb 0.66 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 2k0f h GLN 4 CO 0.05 1.06 -0.60 0.82 -0.67 0.00 0.00 178.83 179.49 2k0f h ILE 5 N 0.13 1.31 -0.93 2.54 1.08 -1.17 -1.42 117.51 119.05 2k0f h ILE 5 Ca -0.04 -1.84 0.26 0.00 -0.39 0.00 0.00 64.86 62.85 2k0f h ILE 5 Cb 1.16 1.80 -0.14 0.00 -3.07 0.00 0.00 36.82 36.57 2k0f h ILE 5 CO 0.11 0.58 0.37 0.00 -0.69 0.00 0.00 178.15 178.52 2k0f h ALA 6 N 0.84 1.54 0.16 1.87 0.00 -1.30 0.71 119.26 123.07 2k0f h ALA 6 Ca -0.00 0.21 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 6 Cb 1.18 0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.22 2k0f h ALA 6 CO 0.12 -0.49 -1.36 1.49 0.00 0.00 0.00 179.25 179.01 2k0f h GLU 7 N 0.27 0.33 -0.31 0.00 4.57 -0.85 -2.10 114.58 116.49 2k0f h GLU 7 Ca 0.62 -0.57 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 2k0f h GLU 7 Cb 1.30 0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 30.06 2k0f h GLU 7 CO -0.63 1.26 0.01 0.74 -1.18 0.00 0.00 179.01 179.21 2k0f h PHE 8 N 0.09 -0.00 -0.27 0.92 0.04 -1.26 -2.39 116.94 114.07 2k0f h PHE 8 Ca -0.19 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.67 2k0f h PHE 8 Cb 2.03 0.05 -0.06 0.00 2.20 0.00 0.00 35.95 40.16 2k0f h PHE 8 CO 0.08 -0.05 -0.14 -0.22 -0.60 0.00 0.00 178.31 177.38 2k0f h LYS 9 N 0.10 -0.11 -0.13 1.51 3.64 -0.56 0.72 116.57 121.74 2k0f h LYS 9 Ca 0.15 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 2k0f h LYS 9 Cb 0.20 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 2k0f h LYS 9 CO -0.25 -0.07 -0.32 1.49 -2.27 0.00 0.00 179.45 178.03 2k0f h GLU 10 N -0.11 -0.38 -0.42 1.90 4.57 -1.39 -1.61 114.58 117.13 2k0f h GLU 10 Ca 0.14 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 2k0f h GLU 10 Cb 0.33 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2k0f h GLU 10 CO -0.34 -0.26 0.20 0.00 -1.18 0.00 0.00 179.01 177.44 2k0f h ALA 11 N 0.41 1.56 -0.35 2.92 0.00 -1.22 -2.53 119.26 120.05 2k0f h ALA 11 Ca 0.09 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 11 Cb 0.55 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 11 CO -0.35 0.35 -0.13 0.35 0.00 0.00 0.00 179.25 179.47 2k0f h PHE 12 N 0.59 0.68 0.00 0.00 3.04 -0.73 -0.33 116.94 120.20 2k0f h PHE 12 Ca 0.15 -0.12 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 2k0f h PHE 12 Cb 0.06 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.40 2k0f h PHE 12 CO 0.00 0.73 -0.00 1.03 -2.02 0.00 0.00 178.31 178.05 2k0f h SER 13 N 0.57 -0.00 -0.25 0.41 0.87 -0.91 0.55 113.55 114.78 2k0f h SER 13 Ca 0.10 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2k0f h SER 13 Cb 0.56 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.44 2k0f h SER 13 CO 0.04 0.05 -0.46 0.25 -0.53 0.00 0.00 176.83 176.17 2k0f h LEU 14 N -0.06 -1.49 0.18 2.23 5.85 -1.27 -3.32 115.31 117.42 2k0f h LEU 14 Ca -0.00 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2k0f h LEU 14 Cb 0.06 0.62 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2k0f h LEU 14 CO 0.00 -0.42 -0.09 0.15 -0.34 0.00 0.00 178.44 177.75 2k0f h PHE 15 N -0.45 -0.22 -3.68 1.25 3.57 -0.85 -3.45 116.94 113.11 2k0f h PHE 15 Ca 0.09 -0.01 -0.50 0.00 3.53 0.00 0.00 57.97 61.08 2k0f h PHE 15 Cb 0.62 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2k0f h PHE 15 CO -0.58 0.14 0.38 0.34 -2.23 0.00 0.00 178.31 176.36 2k0f s ASP 16 N -5.30 7.53 -0.07 0.41 -1.08 0.17 -4.88 116.67 113.44 2k0f s ASP 16 Ca -0.14 1.95 0.12 0.00 -0.52 0.00 0.00 52.55 53.96 2k0f s ASP 16 Cb 0.02 -2.60 -0.23 0.00 -1.46 0.00 0.00 42.92 38.64 2k0f s ASP 16 CO 0.59 0.02 0.58 0.29 0.52 0.00 0.00 175.17 177.17 2k0f n LYS 17 N 1.93 0.64 -0.07 4.34 5.02 -1.26 -4.22 118.16 124.54 2k0f n LYS 17 Ca -0.00 0.26 -0.15 0.00 -2.02 0.00 0.00 58.31 56.40 2k0f n LYS 17 Cb 0.47 -1.76 -0.13 0.00 -0.02 0.00 0.00 35.03 33.60 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2k0f h ASP 18 N 0.00 0.01 -2.50 4.39 3.32 -1.94 -3.49 116.42 116.21 2k0f h ASP 18 Ca -0.32 -0.92 -0.07 0.00 0.02 0.00 0.00 57.03 55.74 2k0f h ASP 18 Cb 2.04 -0.00 0.03 0.00 0.22 0.00 0.00 39.33 41.62 2k0f h ASP 18 CO 0.07 1.08 -0.15 0.61 -1.72 0.00 0.00 179.24 179.14 2k0f n GLY 19 N 1.58 0.39 0.00 2.75 0.00 -1.26 -5.06 105.19 103.59 2k0f n GLY 19 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.82 0.00 0.00 1.61 5.68 -1.26 -5.04 116.55 116.72 2k0f n ASP 20 Ca -0.04 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2k0f n ASP 20 Cb 0.53 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 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 2.49 -0.13 2.59 6.12 0.00 -1.26 -5.09 105.19 109.91 2k0f n GLY 21 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.06 -0.31 2.61 -4.23 -1.26 -2.40 115.64 110.11 2k0f s THR 22 Ca 0.00 -0.66 -0.22 0.00 -1.18 0.00 0.00 61.69 59.63 2k0f s THR 22 Cb 0.00 -0.95 -0.00 0.00 1.34 0.00 0.00 72.50 72.89 2k0f s THR 22 CO 0.00 -0.57 0.73 -0.63 -0.54 0.00 0.00 174.62 173.61 2k0f s ILE 23 N 2.04 4.84 0.81 2.99 1.01 -0.14 -4.84 121.20 127.91 2k0f s ILE 23 Ca 0.07 1.05 -0.10 0.00 0.00 0.00 0.00 60.65 61.67 2k0f s ILE 23 Cb -0.16 -4.10 0.12 0.00 0.01 0.00 0.00 42.46 38.33 2k0f s ILE 23 CO -0.27 -0.22 1.14 0.42 0.00 0.00 0.00 174.94 176.01 2k0f s THR 24 N 2.83 2.12 0.21 2.92 -4.23 -1.26 -0.35 115.64 117.88 2k0f s THR 24 Ca 0.30 -0.19 0.07 0.00 -1.18 0.00 0.00 61.69 60.68 2k0f s THR 24 Cb -0.14 -2.93 -0.09 0.00 1.34 0.00 0.00 72.50 70.68 2k0f s THR 24 CO 0.12 0.00 1.48 0.71 -0.54 0.00 0.00 174.62 176.40 2k0f h THR 25 N -0.99 1.50 -0.60 3.99 1.35 -1.91 -2.66 112.91 113.60 2k0f h THR 25 Ca -0.43 -2.47 -0.09 0.00 -0.55 0.00 0.00 66.41 62.87 2k0f h THR 25 Cb 1.28 2.34 -0.02 0.00 -1.73 0.00 0.00 68.15 70.02 2k0f h THR 25 CO 0.51 0.71 0.03 0.11 -0.25 0.00 0.00 175.52 176.63 2k0f h LYS 26 N 0.05 1.04 0.21 4.72 1.57 -1.97 0.21 116.57 122.39 2k0f h LYS 26 Ca -0.02 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2k0f h LYS 26 Cb 1.32 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2k0f h LYS 26 CO 0.10 1.01 -0.10 0.93 -0.57 0.00 0.00 179.45 180.82 2k0f h GLU 27 N 0.93 -0.27 -0.23 3.15 5.08 -1.91 -1.63 114.58 119.71 2k0f h GLU 27 Ca 0.17 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2k0f h GLU 27 Cb 0.52 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 27 CO 0.03 -0.10 0.05 1.25 -1.00 0.00 0.00 179.01 179.24 2k0f h LEU 28 N -0.38 0.03 -1.41 1.33 5.85 -1.49 -2.57 115.31 116.68 2k0f h LEU 28 Ca -0.03 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.88 2k0f h LEU 28 Cb 0.29 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 2k0f h LEU 28 CO 0.05 0.05 0.55 1.23 -0.34 0.00 0.00 178.44 179.98 2k0f h GLY 29 N 0.15 1.00 0.29 3.75 0.00 -0.48 -1.73 103.07 106.04 2k0f h GLY 29 Ca 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2k0f h GLY 29 CO -0.13 0.07 -0.01 -0.84 0.00 0.00 0.00 176.54 175.63 2k0f h THR 30 N 0.57 1.49 0.00 4.70 2.02 -0.94 -1.94 112.91 118.81 2k0f h THR 30 Ca 0.43 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 2k0f h THR 30 Cb 0.82 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 2k0f h THR 30 CO -0.17 0.41 -0.00 1.62 0.37 0.00 0.00 175.52 177.75 2k0f h VAL 31 N -0.73 1.01 -0.16 3.16 3.04 -1.46 -1.25 116.25 119.86 2k0f h VAL 31 Ca -0.00 -0.02 0.04 0.00 -1.01 0.00 0.00 66.70 65.71 2k0f h VAL 31 Cb 0.69 1.02 -0.05 0.00 -2.01 0.00 0.00 31.29 30.94 2k0f h VAL 31 CO 0.00 0.01 -0.14 -0.03 -1.01 0.00 0.00 177.57 176.40 2k0f h MET 32 N -0.01 -0.15 -0.02 4.17 -1.53 -1.40 0.16 114.93 116.15 2k0f h MET 32 Ca -0.00 0.01 -0.08 0.00 -3.44 0.00 0.00 59.70 56.19 2k0f h MET 32 Cb 0.01 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 2k0f h MET 32 CO 0.00 -0.10 -0.36 0.00 0.14 0.00 0.00 176.91 176.60 2k0f h ARG 33 N -0.15 0.03 -0.02 0.39 3.08 -1.33 0.53 114.38 116.91 2k0f h ARG 33 Ca 0.10 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 2k0f h ARG 33 Cb 0.30 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2k0f h ARG 33 CO -0.25 0.38 -0.55 1.03 -1.07 0.00 0.00 179.97 179.51 2k0f h SER 34 N 0.03 0.06 0.08 7.04 0.87 -1.03 -3.32 113.55 117.28 2k0f h SER 34 Ca 0.00 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2k0f h SER 34 Cb 0.65 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2k0f h SER 34 CO 0.05 0.60 -0.04 0.25 -0.53 0.00 0.00 176.83 177.15 2k0f h LEU 35 N 0.04 -0.10 0.00 2.23 5.85 -0.09 -3.45 115.31 119.79 2k0f h LEU 35 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k0f h LEU 35 Cb 0.98 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2k0f h LEU 35 CO 0.07 0.10 0.00 0.61 -0.34 0.00 0.00 178.44 178.88 2k0f n GLY 36 N 1.27 -0.11 3.89 3.75 0.00 0.18 -5.07 105.19 109.09 2k0f n GLY 36 Ca -0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.43 3.65 -0.66 1.61 -1.52 -1.06 -4.88 119.66 115.38 2k0f s GLN 37 Ca 0.00 -0.01 -0.08 0.00 -1.95 0.00 0.00 55.36 53.32 2k0f s GLN 37 Cb 0.00 -2.94 0.17 0.00 -0.22 0.00 0.00 33.01 30.03 2k0f s GLN 37 CO 0.00 0.53 0.53 -0.80 -0.25 0.00 0.00 175.29 175.30 2k0f s ASN 38 N -2.10 5.83 0.79 5.90 0.01 -1.26 -3.44 114.94 120.67 2k0f s ASN 38 Ca 0.36 -2.62 -0.11 0.00 -0.71 0.00 0.00 52.86 49.79 2k0f s ASN 38 Cb -0.13 -2.00 0.08 0.00 0.41 0.00 0.00 41.25 39.61 2k0f s ASN 38 CO 0.21 -0.50 1.15 -2.16 -1.51 0.00 0.00 177.10 174.29 2k0f s PRO 39 N 0.29 1.93 0.45 -0.60 0.04 -1.26 -5.09 135.00 130.76 2k0f s PRO 39 Ca 0.15 -0.03 0.01 0.00 0.04 0.00 0.00 61.00 61.17 2k0f s PRO 39 Cb -0.18 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2k0f s PRO 39 CO -0.05 -1.56 0.66 0.95 0.04 0.00 0.00 177.00 177.04 2k0f s THR 40 N -3.51 3.82 0.29 1.26 -4.23 -1.26 -4.93 115.64 107.08 2k0f s THR 40 Ca 0.62 -0.58 -0.00 0.00 -1.18 0.00 0.00 61.69 60.55 2k0f s THR 40 Cb -0.10 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.61 2k0f s THR 40 CO 0.48 -0.27 1.90 -0.33 -0.54 0.00 0.00 174.62 175.86 2k0f h GLU 41 N 0.41 1.05 -0.40 3.99 4.39 -1.98 -0.16 114.58 121.88 2k0f h GLU 41 Ca -0.45 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.20 2k0f h GLU 41 Cb 1.26 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 2k0f h GLU 41 CO 0.56 0.69 0.24 0.00 -1.16 0.00 0.00 179.01 179.35 2k0f h ALA 42 N 1.49 0.51 -0.60 3.43 0.00 -2.00 -2.01 119.26 120.07 2k0f h ALA 42 Ca 0.41 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.32 2k0f h ALA 42 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2k0f h ALA 42 CO -0.16 -0.09 0.40 1.49 0.00 0.00 0.00 179.25 180.90 2k0f h GLU 43 N 0.49 0.76 0.00 0.00 4.81 -1.76 -2.20 114.58 116.67 2k0f h GLU 43 Ca 0.16 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 43 Cb -0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2k0f h GLU 43 CO -0.07 0.50 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.29 2k0f h LEU 44 N 0.78 0.00 -0.07 1.64 3.38 -0.54 -2.19 115.31 118.30 2k0f h LEU 44 Ca 0.23 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.95 2k0f h LEU 44 Cb -0.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.73 2k0f h LEU 44 CO -0.05 0.36 -0.97 1.56 0.09 0.00 0.00 178.44 179.42 2k0f h GLN 45 N 0.00 0.66 -0.70 1.13 4.20 -0.77 -2.28 115.11 117.34 2k0f h GLN 45 Ca -0.00 -0.67 -0.04 0.00 0.06 0.00 0.00 58.65 57.99 2k0f h GLN 45 Cb 0.73 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 2k0f h GLN 45 CO 0.05 1.27 0.27 -0.44 -0.67 0.00 0.00 178.83 179.30 2k0f h ASP 46 N 0.39 0.98 -0.53 1.46 3.32 -1.30 0.81 116.42 121.55 2k0f h ASP 46 Ca -0.10 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 2k0f h ASP 46 Cb 1.61 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 2k0f h ASP 46 CO 0.19 0.89 0.14 0.24 -1.72 0.00 0.00 179.24 178.98 2k0f h MET 47 N 1.01 0.84 0.47 3.56 2.86 -1.44 -2.85 114.93 119.38 2k0f h MET 47 Ca 0.23 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2k0f h MET 47 Cb 0.23 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2k0f h MET 47 CO -0.02 0.79 -0.22 0.82 1.06 0.00 0.00 176.91 179.34 2k0f h ILE 48 N 0.74 0.54 -0.29 -1.22 1.08 -0.71 -3.30 117.51 114.35 2k0f h ILE 48 Ca 0.17 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.51 2k0f h ILE 48 Cb 0.32 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 2k0f h ILE 48 CO -0.00 0.02 0.06 0.78 -0.69 0.00 0.00 178.15 178.32 2k0f h ASN 49 N -0.68 0.39 -0.16 1.72 2.35 0.56 -1.28 115.58 118.47 2k0f h ASN 49 Ca -0.06 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2k0f h ASN 49 Cb 0.51 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2k0f h ASN 49 CO 0.11 0.40 0.10 -0.08 -1.65 0.00 0.00 177.43 176.31 2k0f h GLU 50 N 0.42 0.20 0.00 0.81 4.81 -1.58 -3.14 114.58 116.10 2k0f h GLU 50 Ca 0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2k0f h GLU 50 Cb 0.18 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2k0f h GLU 50 CO -0.00 0.13 -0.44 -0.39 -0.73 0.00 0.00 179.01 177.58 2k0f h VAL 51 N 0.21 0.00 -3.07 0.32 -1.51 -1.54 -3.45 116.25 107.21 2k0f h VAL 51 Ca 0.06 -0.76 -0.55 0.00 -1.23 0.00 0.00 66.70 64.23 2k0f h VAL 51 Cb -0.01 1.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 2k0f h VAL 51 CO -0.02 0.00 0.70 -0.62 -1.23 0.00 0.00 177.57 176.40 2k0f s ASP 52 N -5.11 7.01 -0.16 4.19 2.15 -0.52 -4.93 116.67 119.30 2k0f s ASP 52 Ca 0.05 1.92 0.03 0.00 0.43 0.00 0.00 52.55 54.99 2k0f s ASP 52 Cb 0.10 -2.56 -0.12 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 52 CO 0.70 -0.59 -0.11 0.00 -0.17 0.00 0.00 175.17 175.00 2k0f n ALA 53 N 4.96 1.64 -0.05 3.66 0.00 -1.26 -4.61 120.51 124.86 2k0f n ALA 53 Ca 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2k0f n ALA 53 Cb 0.46 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.90 0.00 0.00 0.00 5.68 -1.26 -5.03 116.55 113.03 2k0f n ASP 54 Ca -0.28 0.79 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 2k0f n ASP 54 Cb 0.84 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 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 0.12 -0.06 0.00 6.12 0.00 -1.26 -5.03 105.19 105.08 2k0f n GLY 55 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.02 0.00 1.61 0.23 -1.26 -4.90 115.26 110.96 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 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 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 1.35 0.75 3.29 4.83 0.00 -1.26 -5.06 105.19 109.10 2k0f n GLY 57 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.56 1.57 -0.41 2.61 -4.23 -1.26 -4.66 115.64 106.69 2k0f s THR 58 Ca 0.00 -1.91 -0.22 0.00 -1.18 0.00 0.00 61.69 58.38 2k0f s THR 58 Cb 0.00 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 72.09 2k0f s THR 58 CO 0.00 -0.44 0.73 -0.63 -0.54 0.00 0.00 174.62 173.74 2k0f s ILE 59 N -2.36 4.74 0.57 2.99 1.01 0.52 -4.79 121.20 123.88 2k0f s ILE 59 Ca 0.14 0.49 -0.08 0.00 0.00 0.00 0.00 60.65 61.21 2k0f s ILE 59 Cb -0.04 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 2k0f s ILE 59 CO 0.05 -0.56 0.92 -1.81 0.00 0.00 0.00 174.94 173.53 2k0f s ASP 60 N 1.99 6.09 0.22 3.58 1.11 -1.26 -0.97 116.67 127.43 2k0f s ASP 60 Ca 0.28 1.10 -0.17 0.00 0.18 0.00 0.00 52.55 53.93 2k0f s ASP 60 Cb -0.13 -2.23 0.23 0.00 1.07 0.00 0.00 42.92 41.86 2k0f s ASP 60 CO 0.19 -0.82 1.56 0.15 1.18 0.00 0.00 175.17 177.44 2k0f h PHE 61 N -0.11 -0.97 0.00 4.23 3.57 -1.87 -0.67 116.94 121.12 2k0f h PHE 61 Ca -0.45 0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 61 Cb 1.21 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 2k0f h PHE 61 CO 0.59 -0.40 -0.21 -1.00 -2.23 0.00 0.00 178.31 175.06 2k0f h PRO 62 N -0.04 0.00 -0.00 6.41 0.13 -1.94 -2.54 132.00 134.01 2k0f h PRO 62 Ca 0.33 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.37 2k0f h PRO 62 Cb 0.59 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.73 2k0f h PRO 62 CO -0.90 0.21 -0.36 0.93 -0.23 0.00 0.00 178.00 177.65 2k0f h GLU 63 N 0.00 0.25 -0.54 0.86 5.08 -1.69 -1.93 114.58 116.61 2k0f h GLU 63 Ca -0.00 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2k0f h GLU 63 Cb 0.39 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 63 CO 0.03 0.98 0.20 0.35 -1.00 0.00 0.00 179.01 179.57 2k0f h PHE 64 N -0.38 0.83 -0.19 4.33 3.57 -1.16 -1.27 116.94 122.66 2k0f h PHE 64 Ca -0.04 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.42 2k0f h PHE 64 Cb 1.11 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.53 2k0f h PHE 64 CO 0.17 0.69 -0.53 1.25 -2.23 0.00 0.00 178.31 177.66 2k0f h LEU 65 N 0.73 -1.70 -0.92 0.59 6.46 -1.61 -3.04 115.31 115.82 2k0f h LEU 65 Ca 0.18 0.21 -0.11 0.00 -0.12 0.00 0.00 57.88 58.03 2k0f h LEU 65 Cb 0.22 0.67 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2k0f h LEU 65 CO -0.01 -0.46 -0.51 0.74 -0.62 0.00 0.00 178.44 177.57 2k0f h THR 66 N -0.54 1.37 -1.00 1.05 2.02 -1.31 -1.81 112.91 112.68 2k0f h THR 66 Ca 0.05 -1.77 0.02 0.00 0.77 0.00 0.00 66.41 65.48 2k0f h THR 66 Cb 0.66 1.93 -0.05 0.00 -1.74 0.00 0.00 68.15 68.95 2k0f h THR 66 CO -0.47 0.51 0.66 -0.03 0.37 0.00 0.00 175.52 176.57 2k0f h MET 67 N 0.05 1.27 0.00 6.66 1.85 -1.22 -3.24 114.93 120.31 2k0f h MET 67 Ca -0.00 -0.08 -0.21 0.00 -0.61 0.00 0.00 59.70 58.80 2k0f h MET 67 Cb 0.93 -0.29 -0.04 0.00 0.43 0.00 0.00 31.60 32.64 2k0f h MET 67 CO 0.07 0.84 -1.34 1.98 -0.40 0.00 0.00 176.91 178.07 2k0f h MET 68 N 1.31 0.00 -0.00 0.39 -1.53 -1.36 -3.37 114.93 110.38 2k0f h MET 68 Ca 0.38 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.64 2k0f h MET 68 Cb -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 30.97 2k0f h MET 68 CO -0.10 0.52 -0.48 0.00 0.14 0.00 0.00 176.91 176.99 2k0f n ALA 69 N -2.43 3.53 -2.60 0.39 0.00 -0.71 -4.84 120.51 113.85 2k0f n ALA 69 Ca -0.09 -0.37 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 2k0f n ALA 69 Cb 0.92 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 2k0f n ALA 69 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k0f s ARG 70 N -2.91 3.71 0.29 0.00 1.70 -1.23 -5.04 118.95 115.47 2k0f s ARG 70 Ca 0.13 0.10 -0.29 0.00 -0.47 0.00 0.00 55.73 55.20 2k0f s ARG 70 Cb 0.18 -2.93 -0.09 0.00 -0.57 0.00 0.00 34.95 31.54 2k0f s ARG 70 CO 0.68 0.52 1.02 0.15 -1.08 0.00 0.00 175.30 176.59 2k0f s LYS 71 N -2.20 4.65 0.78 3.89 -0.14 -1.26 -5.06 119.74 120.40 2k0f s LYS 71 Ca 0.36 1.61 -0.11 0.00 -1.36 0.00 0.00 55.97 56.48 2k0f s LYS 71 Cb -0.13 -3.10 0.07 0.00 -1.68 0.00 0.00 37.83 33.00 2k0f s LYS 71 CO 0.20 0.28 1.14 -1.64 -0.76 0.00 0.00 175.35 174.57 2k0f s MET 72 N -1.56 2.06 0.57 1.68 -1.94 -1.26 -5.13 119.30 113.73 2k0f s MET 72 Ca 0.46 0.06 -0.07 0.00 -1.71 0.00 0.00 55.69 54.42 2k0f s MET 72 Cb -0.27 -2.00 -0.01 0.00 2.01 0.00 0.00 34.83 34.56 2k0f s MET 72 CO 0.35 -1.49 0.90 -1.59 -0.01 0.00 0.00 175.02 173.17 2k0f s LYS 73 N -5.50 3.21 0.24 2.03 -2.85 -1.26 -4.88 119.74 110.73 2k0f s LYS 73 Ca 0.61 0.22 0.12 0.00 -1.00 0.00 0.00 55.97 55.92 2k0f s LYS 73 Cb -0.11 -2.25 0.15 0.00 -2.06 0.00 0.00 37.83 33.56 2k0f s LYS 73 CO 0.48 -0.56 1.48 -0.44 0.10 0.00 0.00 175.35 176.41 2k0f h ASP 74 N -0.12 0.00 0.36 0.03 3.32 -2.00 -1.32 116.42 116.69 2k0f h ASP 74 Ca -0.46 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 2k0f h ASP 74 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2k0f h ASP 74 CO 0.61 0.68 -0.55 0.74 -1.72 0.00 0.00 179.24 179.01 2k0f h THR 75 N 0.00 1.37 -0.04 0.35 2.02 -1.99 -2.52 112.91 112.10 2k0f h THR 75 Ca -0.01 -1.86 -0.14 0.00 0.77 0.00 0.00 66.41 65.17 2k0f h THR 75 Cb 1.37 1.93 0.01 0.00 -1.74 0.00 0.00 68.15 69.71 2k0f h THR 75 CO 0.09 0.55 -0.51 0.44 0.37 0.00 0.00 175.52 176.45 2k0f h ASP 76 N 0.16 0.53 -0.85 4.18 5.19 -1.90 -2.34 116.42 121.38 2k0f h ASP 76 Ca 0.00 -0.70 0.15 0.00 -0.62 0.00 0.00 57.03 55.86 2k0f h ASP 76 Cb 1.02 -0.16 -0.10 0.00 0.18 0.00 0.00 39.33 40.27 2k0f h ASP 76 CO 0.08 1.16 0.43 -1.28 -3.12 0.00 0.00 179.24 176.51 2k0f h SER 77 N -0.05 0.50 -0.29 6.45 0.87 -1.14 0.40 113.55 120.28 2k0f h SER 77 Ca -0.05 0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.45 2k0f h SER 77 Cb 1.20 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2k0f h SER 77 CO 0.10 0.19 -0.42 -0.08 -0.53 0.00 0.00 176.83 176.10 2k0f h GLU 78 N 0.60 0.80 -0.07 2.24 4.57 -1.50 -3.12 114.58 118.10 2k0f h GLU 78 Ca 0.47 -0.47 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k0f h GLU 78 Cb 0.70 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2k0f h GLU 78 CO -0.38 1.11 0.04 1.49 -1.18 0.00 0.00 179.01 180.08 2k0f h GLU 79 N 0.57 0.10 0.04 1.92 4.81 -0.76 -2.30 114.58 118.95 2k0f h GLU 79 Ca 0.03 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 79 Cb 1.02 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 2k0f h GLU 79 CO 0.10 0.15 -0.45 1.49 -0.73 0.00 0.00 179.01 179.57 2k0f h GLU 80 N 0.02 -0.60 -0.11 1.92 4.81 -0.32 0.57 114.58 120.86 2k0f h GLU 80 Ca 0.02 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 80 Cb 0.08 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2k0f h GLU 80 CO -0.00 -0.40 -0.11 0.97 -0.73 0.00 0.00 179.01 178.73 2k0f h ILE 81 N -0.63 1.15 -0.37 2.32 6.09 -1.66 -1.70 117.51 122.72 2k0f h ILE 81 Ca 0.03 -0.64 -0.13 0.00 -1.37 0.00 0.00 64.86 62.75 2k0f h ILE 81 Cb 0.68 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 39.15 2k0f h ILE 81 CO -0.31 0.20 -0.29 -0.09 -3.07 0.00 0.00 178.15 174.59 2k0f h ARG 82 N 0.16 0.78 -0.54 2.19 2.43 -0.75 -0.50 114.38 118.15 2k0f h ARG 82 Ca 0.04 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 2k0f h ARG 82 Cb 0.30 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2k0f h ARG 82 CO 0.02 0.97 0.27 0.93 -1.51 0.00 0.00 179.97 180.66 2k0f h GLU 83 N 0.67 0.76 -0.06 0.20 4.39 -0.81 0.14 114.58 119.86 2k0f h GLU 83 Ca 0.08 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2k0f h GLU 83 Cb 0.82 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2k0f h GLU 83 CO 0.07 0.58 -0.61 0.00 -1.16 0.00 0.00 179.01 177.89 2k0f h ALA 84 N 1.54 0.85 -0.02 3.43 0.00 -1.15 -1.59 119.26 122.33 2k0f h ALA 84 Ca 0.19 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 84 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2k0f h ALA 84 CO -0.03 0.73 -0.89 0.35 0.00 0.00 0.00 179.25 179.42 2k0f h PHE 85 N 0.16 0.60 0.00 0.00 3.57 -0.53 -0.44 116.94 120.30 2k0f h PHE 85 Ca -0.01 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.18 2k0f h PHE 85 Cb 1.11 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.78 2k0f h PHE 85 CO 0.02 1.12 0.00 -0.09 -2.23 0.00 0.00 178.31 177.13 2k0f h ARG 86 N 0.25 0.00 0.00 1.11 2.43 -0.68 0.52 114.38 118.01 2k0f h ARG 86 Ca -0.07 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 2k0f h ARG 86 Cb 1.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.04 2k0f h ARG 86 CO 0.15 0.00 -0.61 0.28 -1.51 0.00 0.00 179.97 178.28 2k0f h VAL 87 N 0.00 0.92 -0.56 0.20 2.07 -0.66 -3.39 116.25 114.83 2k0f h VAL 87 Ca 0.00 -1.90 -0.08 0.00 0.82 0.00 0.00 66.70 65.54 2k0f h VAL 87 Cb 0.23 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2k0f h VAL 87 CO 0.00 0.31 0.05 -0.26 0.02 0.00 0.00 177.57 177.69 2k0f h PHE 88 N -1.00 0.98 -3.11 1.57 0.04 -0.99 -3.40 116.94 111.03 2k0f h PHE 88 Ca -0.15 -0.14 -0.55 0.00 2.80 0.00 0.00 57.97 59.94 2k0f h PHE 88 Cb 0.93 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 2k0f h PHE 88 CO 0.09 0.87 0.67 0.34 -0.60 0.00 0.00 178.31 179.68 2k0f s ASP 89 N -6.59 7.06 -0.14 2.17 2.15 0.16 -4.59 116.67 116.90 2k0f s ASP 89 Ca -0.10 1.84 0.04 0.00 0.43 0.00 0.00 52.55 54.76 2k0f s ASP 89 Cb 0.15 -2.56 -0.12 0.00 -0.30 0.00 0.00 42.92 40.09 2k0f s ASP 89 CO 0.83 -0.56 -0.08 1.17 -0.17 0.00 0.00 175.17 176.36 2k0f n LYS 90 N 4.98 0.95 0.12 4.34 3.00 -1.26 -4.68 118.16 125.61 2k0f n LYS 90 Ca 0.10 0.06 -0.05 0.00 -0.00 0.00 0.00 58.31 58.42 2k0f n LYS 90 Cb 0.46 -1.30 -0.02 0.00 0.00 0.00 0.00 35.03 34.16 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 0.00 -0.28 0.00 3.14 3.04 -1.94 -3.48 116.42 116.90 2k0f h ASP 91 Ca -0.33 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.47 2k0f h ASP 91 Cb 1.60 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.96 2k0f h ASP 91 CO -0.03 -0.13 0.00 0.61 -2.04 0.00 0.00 179.24 177.65 2k0f n GLY 92 N -0.07 -0.44 0.14 7.15 0.00 -1.26 -5.05 105.19 105.65 2k0f n GLY 92 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.17 1.61 -1.07 -1.95 -3.48 115.58 109.52 2k0f h ASN 93 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.32 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 0.02 0.00 0.61 0.07 0.00 0.00 177.43 178.13 2k0f n GLY 94 N 1.20 0.70 3.12 9.14 0.00 -1.26 -5.04 105.19 113.05 2k0f n GLY 94 Ca 0.03 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.64 -1.11 -0.21 1.61 2.02 -1.26 -4.59 117.35 111.17 2k0f s TYR 95 Ca 0.00 1.38 -0.26 0.00 -0.37 0.00 0.00 57.07 57.82 2k0f s TYR 95 Cb 0.00 0.32 -0.01 0.00 -0.40 0.00 0.00 41.96 41.87 2k0f s TYR 95 CO 0.00 -0.72 0.88 0.42 -1.57 0.00 0.00 175.55 174.56 2k0f s ILE 96 N 2.69 4.82 0.41 2.71 1.01 0.73 -4.79 121.20 128.77 2k0f s ILE 96 Ca 0.11 1.71 0.08 0.00 0.00 0.00 0.00 60.65 62.54 2k0f s ILE 96 Cb -0.14 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.15 2k0f s ILE 96 CO -0.17 -0.06 0.49 -0.94 0.00 0.00 0.00 174.94 174.26 2k0f s SER 97 N 1.24 5.47 0.21 3.58 1.04 -1.26 -1.27 113.70 122.70 2k0f s SER 97 Ca 0.38 -0.51 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 2k0f s SER 97 Cb -0.16 -0.69 0.29 0.00 0.10 0.00 0.00 66.02 65.56 2k0f s SER 97 CO 0.09 -0.68 1.69 0.00 0.98 0.00 0.00 173.24 175.31 2k0f h ALA 98 N 0.81 0.65 -0.43 5.32 0.00 -1.93 -2.45 119.26 121.23 2k0f h ALA 98 Ca -0.41 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.70 2k0f h ALA 98 Cb 1.27 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 2k0f h ALA 98 CO 0.50 -0.35 0.20 0.00 0.00 0.00 0.00 179.25 179.59 2k0f h ALA 99 N 1.51 0.53 -0.21 0.00 0.00 -1.98 -0.06 119.26 119.05 2k0f h ALA 99 Ca 0.31 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.28 2k0f h ALA 99 Cb 0.49 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2k0f h ALA 99 CO -0.45 -0.17 0.03 0.93 0.00 0.00 0.00 179.25 179.58 2k0f h GLU 100 N 0.40 0.10 -0.10 0.00 5.08 -1.90 -0.55 114.58 117.61 2k0f h GLU 100 Ca 0.19 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 100 Cb 0.13 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 100 CO -0.15 0.07 -0.02 1.25 -1.00 0.00 0.00 179.01 179.15 2k0f h LEU 101 N 0.10 0.19 -0.73 1.33 5.85 -1.30 0.32 115.31 121.08 2k0f h LEU 101 Ca 0.10 -0.36 0.14 0.00 0.84 0.00 0.00 57.88 58.60 2k0f h LEU 101 Cb 0.11 -0.05 -0.14 0.00 0.37 0.00 0.00 40.66 40.94 2k0f h LEU 101 CO -0.14 0.51 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.17 2k0f h ARG 102 N -0.12 -0.02 -0.06 1.25 2.43 -0.99 -1.78 114.38 115.10 2k0f h ARG 102 Ca 0.03 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 102 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2k0f h ARG 102 CO 0.01 -0.01 -0.15 1.25 -1.51 0.00 0.00 179.97 179.56 2k0f h HIS 103 N -0.02 0.25 -0.55 2.20 2.76 -0.70 -2.55 115.15 116.55 2k0f h HIS 103 Ca 0.34 -0.10 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 2k0f h HIS 103 Cb 0.54 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.40 2k0f h HIS 103 CO -0.60 0.76 0.21 0.28 -1.30 0.00 0.00 177.93 177.27 2k0f h VAL 104 N -0.32 0.81 -0.35 5.26 2.07 -0.10 -1.41 116.25 122.21 2k0f h VAL 104 Ca -0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2k0f h VAL 104 Cb 0.75 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2k0f h VAL 104 CO 0.03 0.07 0.22 -0.03 0.02 0.00 0.00 177.57 177.88 2k0f h MET 105 N 0.39 0.47 -0.73 1.57 -1.53 -1.43 -2.11 114.93 111.55 2k0f h MET 105 Ca 0.27 -0.04 0.11 0.00 -3.44 0.00 0.00 59.70 56.60 2k0f h MET 105 Cb 0.30 -0.10 -0.08 0.00 -0.55 0.00 0.00 31.60 31.18 2k0f h MET 105 CO -0.27 0.33 0.35 1.15 0.14 0.00 0.00 176.91 178.61 2k0f h THR 106 N 0.46 0.81 -0.91 -0.77 2.02 -0.86 -0.12 112.91 113.54 2k0f h THR 106 Ca 0.13 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2k0f h THR 106 Cb -0.02 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.53 2k0f h THR 106 CO -0.03 0.10 0.52 0.78 0.37 0.00 0.00 175.52 177.27 2k0f h ASN 107 N 0.57 1.12 0.34 4.18 2.35 -1.28 -1.95 115.58 120.91 2k0f h ASN 107 Ca 0.37 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2k0f h ASN 107 Cb 0.43 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2k0f h ASN 107 CO -0.30 0.88 0.00 0.18 -1.65 0.00 0.00 177.43 176.54 2k0f n LEU 108 N -4.35 0.00 0.00 1.61 4.77 -0.80 -4.58 117.00 113.65 2k0f n LEU 108 Ca 0.10 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2k0f n LEU 108 Cb 0.08 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2k0f n LEU 108 CO 0.38 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 2k0f n GLY 109 N -0.12 1.03 3.97 -0.72 0.00 -0.61 -4.92 105.19 103.82 2k0f n GLY 109 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.14 3.18 -0.20 1.61 0.41 -0.16 -4.97 118.70 118.44 2k0f s GLU 110 Ca 0.00 -0.79 -0.15 0.00 -0.41 0.00 0.00 54.97 53.62 2k0f s GLU 110 Cb 0.00 -2.75 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 2k0f s GLU 110 CO 0.00 0.04 0.37 0.21 -0.49 0.00 0.00 175.26 175.39 2k0f s LYS 111 N -4.25 4.18 -0.09 1.61 2.36 -1.26 -3.72 119.74 118.56 2k0f s LYS 111 Ca 0.44 0.16 -0.02 0.00 -2.55 0.00 0.00 55.97 53.99 2k0f s LYS 111 Cb -0.10 -3.52 0.04 0.00 -1.05 0.00 0.00 37.83 33.20 2k0f s LYS 111 CO 0.33 0.02 0.04 -1.17 1.55 0.00 0.00 175.35 176.11 2k0f s LEU 112 N 1.15 0.49 0.00 5.43 2.96 -1.26 -5.01 118.68 122.44 2k0f s LEU 112 Ca 0.18 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2k0f s LEU 112 Cb -0.14 -0.34 0.06 0.00 0.50 0.00 0.00 46.19 46.27 2k0f s LEU 112 CO 0.07 -0.25 0.43 0.35 -1.32 0.00 0.00 176.35 175.63 2k0f n THR 113 N 5.20 0.00 0.06 3.68 -2.24 -1.26 -4.88 114.28 114.85 2k0f n THR 113 Ca -0.06 -0.69 -0.10 0.00 -2.27 0.00 0.00 64.05 60.93 2k0f n THR 113 Cb 0.49 -1.16 0.02 0.00 -2.10 0.00 0.00 70.33 67.59 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N -0.25 0.43 0.38 3.42 3.32 -2.01 -2.24 116.42 119.46 2k0f h ASP 114 Ca -0.14 -0.30 -0.30 0.00 0.02 0.00 0.00 57.03 56.31 2k0f h ASP 114 Cb 0.53 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.98 2k0f h ASP 114 CO 0.15 1.05 -1.31 1.05 -1.72 0.00 0.00 179.24 178.46 2k0f h GLU 115 N 0.23 0.45 -0.27 3.56 4.11 -1.99 -2.63 114.58 118.05 2k0f h GLU 115 Ca -0.04 -0.71 -0.15 0.00 0.07 0.00 0.00 59.36 58.53 2k0f h GLU 115 Cb 1.36 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 2k0f h GLU 115 CO 0.13 1.33 -0.45 0.93 0.07 0.00 0.00 179.01 181.02 2k0f h GLU 116 N 0.15 0.68 -0.03 1.06 5.08 -1.94 -2.24 114.58 117.34 2k0f h GLU 116 Ca -0.19 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 57.69 2k0f h GLU 116 Cb 2.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2k0f h GLU 116 CO 0.24 0.99 -0.48 -0.24 -1.00 0.00 0.00 179.01 178.51 2k0f h VAL 117 N 0.55 1.35 0.18 3.13 3.04 -1.47 -1.63 116.25 121.40 2k0f h VAL 117 Ca 0.04 -1.67 -0.00 0.00 -1.01 0.00 0.00 66.70 64.05 2k0f h VAL 117 Cb 0.99 1.86 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 2k0f h VAL 117 CO 0.09 0.48 -0.23 -0.78 -1.01 0.00 0.00 177.57 176.13 2k0f h ASP 118 N 0.07 -0.65 -0.57 3.17 1.82 -1.36 -1.99 116.42 116.92 2k0f h ASP 118 Ca 0.00 0.06 0.11 0.00 -0.39 0.00 0.00 57.03 56.81 2k0f h ASP 118 Cb 0.88 0.22 -0.11 0.00 0.68 0.00 0.00 39.33 41.00 2k0f h ASP 118 CO 0.07 -0.29 -0.27 -0.08 -1.61 0.00 0.00 179.24 177.07 2k0f h GLU 119 N -0.42 -0.12 -0.09 0.28 4.81 -1.40 -3.22 114.58 114.42 2k0f h GLU 119 Ca -0.02 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 119 Cb 0.38 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2k0f h GLU 119 CO -0.05 -0.08 -0.08 1.98 -0.73 0.00 0.00 179.01 180.05 2k0f h MET 120 N -0.12 0.21 -0.73 1.92 4.05 -1.25 -2.95 114.93 116.06 2k0f h MET 120 Ca 0.25 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.51 2k0f h MET 120 Cb 0.52 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 2k0f h MET 120 CO -0.64 0.62 0.23 0.82 0.23 0.00 0.00 176.91 178.17 2k0f h ILE 121 N -0.20 1.26 -0.56 1.77 1.08 -1.47 -1.99 117.51 117.40 2k0f h ILE 121 Ca 0.02 -0.89 0.16 0.00 -0.39 0.00 0.00 64.86 63.76 2k0f h ILE 121 Cb 0.58 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 2k0f h ILE 121 CO 0.02 0.35 0.40 -0.09 -0.69 0.00 0.00 178.15 178.14 2k0f h ARG 122 N 1.08 0.01 -0.04 2.37 2.43 -1.64 0.32 114.38 118.91 2k0f h ARG 122 Ca 0.24 -0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.21 2k0f h ARG 122 Cb 0.29 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2k0f h ARG 122 CO -0.01 0.01 -0.80 1.49 -1.51 0.00 0.00 179.97 179.15 2k0f h GLU 123 N 0.01 0.33 0.14 0.20 4.81 -1.17 -3.23 114.58 115.67 2k0f h GLU 123 Ca 0.27 -0.30 -0.28 0.00 -0.13 0.00 0.00 59.36 58.92 2k0f h GLU 123 Cb 1.05 0.07 0.03 0.00 0.63 0.00 0.00 28.75 30.53 2k0f h GLU 123 CO -0.01 0.97 -1.17 0.00 -0.73 0.00 0.00 179.01 178.07 2k0f h ALA 124 N 0.94 -0.05 -2.54 2.92 0.00 -1.21 -3.46 119.26 115.86 2k0f h ALA 124 Ca -0.04 -0.76 -0.53 0.00 0.00 0.00 0.00 54.91 53.58 2k0f h ALA 124 Cb 1.39 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.31 2k0f h ALA 124 CO 0.13 0.61 0.61 0.34 0.00 0.00 0.00 179.25 180.94 2k0f s ASP 125 N -7.33 7.01 -0.27 0.00 2.15 0.10 -4.73 116.67 113.60 2k0f s ASP 125 Ca -0.10 2.15 -0.08 0.00 0.43 0.00 0.00 52.55 54.95 2k0f s ASP 125 Cb 0.04 -2.59 -0.14 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 125 CO 0.91 -0.50 -0.31 -0.38 -0.17 0.00 0.00 175.17 174.72 2k0f n ILE 126 N 3.62 1.49 0.23 4.11 5.41 -1.26 -4.63 119.36 128.33 2k0f n ILE 126 Ca 0.09 -0.45 0.12 0.00 1.00 0.00 0.00 62.75 63.51 2k0f n ILE 126 Cb 0.45 -1.71 0.34 0.00 -0.71 0.00 0.00 39.64 38.00 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.64 0.00 0.00 4.38 3.04 -1.95 -3.48 116.42 117.77 2k0f h ASP 127 Ca -0.65 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.14 2k0f h ASP 127 Cb 1.71 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.00 2k0f h ASP 127 CO -0.31 0.07 0.00 0.61 -2.04 0.00 0.00 179.24 177.58 2k0f n GLY 128 N 0.70 0.80 0.08 7.15 0.00 -1.26 -4.99 105.19 107.67 2k0f n GLY 128 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 0.11 0.00 1.61 2.03 -1.95 -3.48 116.42 114.73 2k0f h ASP 129 Ca 0.00 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 2k0f h ASP 129 Cb 0.00 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 2k0f h ASP 129 CO 0.00 1.13 0.00 0.61 -1.03 0.00 0.00 179.24 179.95 2k0f n GLY 130 N 1.52 0.75 3.16 7.15 0.00 -1.26 -5.07 105.19 111.44 2k0f n GLY 130 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.93 2.33 -0.26 1.61 -1.52 -1.26 -4.61 119.66 115.02 2k0f s GLN 131 Ca 0.00 -1.37 -0.27 0.00 -1.95 0.00 0.00 55.36 51.76 2k0f s GLN 131 Cb 0.00 -3.25 0.01 0.00 -0.22 0.00 0.00 33.01 29.55 2k0f s GLN 131 CO 0.00 -0.70 0.97 0.08 -0.25 0.00 0.00 175.29 175.39 2k0f s VAL 132 N 1.23 4.69 0.00 1.09 1.01 -0.40 -4.80 120.40 123.21 2k0f s VAL 132 Ca -0.02 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.70 2k0f s VAL 132 Cb -0.20 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.91 2k0f s VAL 132 CO -0.02 -0.24 0.00 -0.46 0.00 0.00 0.00 175.10 174.38 2k0f n ASN 133 N 6.37 0.00 -0.04 3.32 0.23 -1.26 -0.20 115.26 123.68 2k0f n ASN 133 Ca 0.09 -0.87 -0.15 0.00 -0.53 0.00 0.00 54.58 53.12 2k0f n ASN 133 Cb 0.47 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.00 1.03 -0.49 -2.53 3.20 -1.96 -1.57 116.97 114.64 2k0f h TYR 134 Ca 0.00 -0.41 -0.09 0.00 3.14 0.00 0.00 58.73 61.37 2k0f h TYR 134 Cb 0.00 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2k0f h TYR 134 CO 0.00 1.23 -0.05 1.05 -1.64 0.00 0.00 178.16 178.75 2k0f h GLU 135 N 0.57 0.89 -0.59 1.82 4.11 -1.99 -1.02 114.58 118.38 2k0f h GLU 135 Ca -0.02 -0.31 0.00 0.00 0.07 0.00 0.00 59.36 59.10 2k0f h GLU 135 Cb 1.27 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2k0f h GLU 135 CO 0.14 0.95 0.38 0.93 0.07 0.00 0.00 179.01 181.48 2k0f h GLU 136 N 0.75 0.78 -0.22 1.06 5.08 -1.89 0.75 114.58 120.88 2k0f h GLU 136 Ca 0.13 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 136 Cb 0.59 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 136 CO 0.04 0.53 0.06 0.35 -1.00 0.00 0.00 179.01 178.99 2k0f h PHE 137 N 0.80 0.37 -0.27 4.33 3.57 -1.26 -1.28 116.94 123.20 2k0f h PHE 137 Ca 0.21 -0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.54 2k0f h PHE 137 Cb -0.07 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 2k0f h PHE 137 CO -0.03 0.46 -0.36 0.28 -2.23 0.00 0.00 178.31 176.42 2k0f h VAL 138 N 0.18 1.30 0.00 1.41 2.07 -1.09 -2.31 116.25 117.82 2k0f h VAL 138 Ca 0.07 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2k0f h VAL 138 Cb 0.27 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2k0f h VAL 138 CO 0.00 0.49 0.00 0.00 0.02 0.00 0.00 177.57 178.09 2k0f n GLN 139 N -4.21 0.47 0.08 1.57 6.02 0.25 -0.92 117.38 120.64 2k0f n GLN 139 Ca -0.04 0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 2k0f n GLN 139 Cb 0.52 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.23 2k0f n GLN 139 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 2k0f h MET 140 N 0.00 0.20 0.12 -1.09 4.05 -0.64 -3.36 114.93 114.20 2k0f h MET 140 Ca 0.00 -0.25 -0.35 0.00 -0.28 0.00 0.00 59.70 58.82 2k0f h MET 140 Cb 0.07 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 2k0f h MET 140 CO 0.00 1.02 -1.91 0.52 0.23 0.00 0.00 176.91 176.77 2k0f h MET 141 N 0.09 0.25 -0.00 0.39 2.86 -1.20 -3.51 114.93 113.82 2k0f h MET 141 Ca -0.06 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2k0f h MET 141 Cb 1.63 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.46 2k0f h MET 141 CO 0.15 1.14 0.00 0.25 1.06 0.00 0.00 176.91 179.51