#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 0.04 -0.49 -2.82 4.81 -2.05 -1.31 114.58 112.75 2k0f h GLU 2 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 2 Cb 0.00 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 2 CO 0.00 0.03 0.25 0.93 -0.73 0.00 0.00 179.01 179.49 2k0f h GLU 3 N 0.04 0.70 -0.21 1.92 3.07 -2.05 -0.41 114.58 117.64 2k0f h GLU 3 Ca 0.27 -0.09 -0.18 0.00 -0.50 0.00 0.00 59.36 58.85 2k0f h GLU 3 Cb 0.42 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2k0f h GLU 3 CO -0.52 0.57 -0.61 1.96 -1.40 0.00 0.00 179.01 179.00 2k0f h GLN 4 N 0.65 0.70 -0.77 2.33 7.50 -1.90 0.63 115.11 124.25 2k0f h GLN 4 Ca 0.17 -0.48 0.01 0.00 0.50 0.00 0.00 58.65 58.85 2k0f h GLN 4 Cb 0.08 0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.65 2k0f h GLN 4 CO -0.02 1.10 0.51 0.82 -1.50 0.00 0.00 178.83 179.74 2k0f h ILE 5 N 0.52 1.20 -0.85 2.54 2.04 -1.19 -1.29 117.51 120.48 2k0f h ILE 5 Ca -0.01 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 2k0f h ILE 5 Cb 1.20 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2k0f h ILE 5 CO 0.12 0.19 0.51 0.00 0.00 0.00 0.00 178.15 178.98 2k0f h ALA 6 N 1.28 1.31 -0.97 1.87 0.00 -0.54 0.67 119.26 122.88 2k0f h ALA 6 Ca 0.28 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.27 2k0f h ALA 6 Cb -0.12 -0.34 -0.09 0.00 0.00 0.00 0.00 17.79 17.24 2k0f h ALA 6 CO -0.06 0.60 0.61 0.93 0.00 0.00 0.00 179.25 181.33 2k0f h GLU 7 N 1.17 0.73 0.10 0.00 5.08 -0.50 -0.08 114.58 121.08 2k0f h GLU 7 Ca 0.30 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.43 2k0f h GLU 7 Cb -0.05 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2k0f h GLU 7 CO -0.06 0.48 -0.95 0.74 -1.00 0.00 0.00 179.01 178.22 2k0f h PHE 8 N 0.75 0.37 -0.53 4.33 0.04 -0.51 -3.28 116.94 118.12 2k0f h PHE 8 Ca 0.52 -0.27 0.10 0.00 2.80 0.00 0.00 57.97 61.12 2k0f h PHE 8 Cb 0.82 -0.01 -0.11 0.00 2.20 0.00 0.00 35.95 38.85 2k0f h PHE 8 CO -0.00 1.37 -0.24 -0.22 -0.60 0.00 0.00 178.31 178.61 2k0f h LYS 9 N -0.50 -0.11 0.00 1.51 3.64 0.49 -1.85 116.57 119.75 2k0f h LYS 9 Ca -0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2k0f h LYS 9 Cb 1.56 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2k0f h LYS 9 CO 0.06 -0.08 0.00 -1.91 -2.27 0.00 0.00 179.45 175.25 2k0f n GLU 10 N -5.42 0.00 0.05 1.90 4.07 -0.06 -2.33 120.64 118.85 2k0f n GLU 10 Ca 0.04 0.13 -0.17 0.00 -0.06 0.00 0.00 57.16 57.10 2k0f n GLU 10 Cb 0.33 -1.50 -0.08 0.00 -0.06 0.00 0.00 31.44 30.13 2k0f n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k0f h ALA 11 N 2.74 0.23 -0.53 4.31 0.00 -1.45 -3.34 119.26 121.21 2k0f h ALA 11 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 54.91 54.11 2k0f h ALA 11 Cb 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2k0f h ALA 11 CO 0.00 0.73 -0.10 0.35 0.00 0.00 0.00 179.25 180.23 2k0f h PHE 12 N 0.35 1.12 -0.85 0.00 3.04 -0.95 -2.92 116.94 116.73 2k0f h PHE 12 Ca -0.11 -0.23 0.23 0.00 3.98 0.00 0.00 57.97 61.85 2k0f h PHE 12 Cb 1.63 -0.28 -0.16 0.00 2.56 0.00 0.00 35.95 39.70 2k0f h PHE 12 CO 0.09 1.04 0.02 0.43 -2.02 0.00 0.00 178.31 177.87 2k0f n SER 13 N -4.18 -0.10 0.25 0.41 7.64 -1.15 -0.62 113.62 115.87 2k0f n SER 13 Ca 0.01 1.45 0.11 0.00 1.01 0.00 0.00 58.87 61.45 2k0f n SER 13 Cb 0.39 -0.53 0.67 0.00 -1.01 0.00 0.00 64.21 63.74 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 0.00 0.11 -3.43 3.38 -1.71 -2.60 115.31 111.07 2k0f h LEU 14 Ca 0.52 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.16 2k0f h LEU 14 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2k0f h LEU 14 CO -0.80 0.14 -1.71 -0.26 0.09 0.00 0.00 178.44 175.89 2k0f h PHE 15 N 0.00 0.44 -2.21 1.13 -1.00 -1.01 -3.41 116.94 110.87 2k0f h PHE 15 Ca -0.00 -0.32 -0.67 0.00 2.81 0.00 0.00 57.97 59.78 2k0f h PHE 15 Cb 0.34 -0.02 -0.16 0.00 3.61 0.00 0.00 35.95 39.72 2k0f h PHE 15 CO 0.00 1.48 0.93 0.34 -1.61 0.00 0.00 178.31 179.45 2k0f s ASP 16 N -6.92 6.59 0.58 2.17 2.15 -0.89 -4.71 116.67 115.64 2k0f s ASP 16 Ca -0.13 -1.92 0.35 0.00 0.43 0.00 0.00 52.55 51.28 2k0f s ASP 16 Cb 0.07 -2.43 1.76 0.00 -0.30 0.00 0.00 42.92 42.02 2k0f s ASP 16 CO 0.83 -1.14 2.15 0.11 -0.17 0.00 0.00 175.17 176.95 2k0f h LYS 17 N 9.01 0.00 0.00 4.34 6.56 -1.84 -3.00 116.57 131.63 2k0f h LYS 17 Ca 0.15 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.59 2k0f h LYS 17 Cb 1.02 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.66 2k0f h LYS 17 CO 1.16 0.04 -1.56 -0.40 -2.06 0.00 0.00 179.45 176.63 2k0f n ASP 18 N -3.31 3.21 -0.78 0.86 5.68 -1.26 -5.05 116.55 115.89 2k0f n ASP 18 Ca -0.02 -0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 2k0f n ASP 18 Cb 0.20 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 2.97 0.83 0.09 6.12 0.00 -1.14 -5.00 105.19 109.06 2k0f n GLY 19 Ca -0.17 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 0.14 0.00 1.61 2.03 -1.97 -3.48 116.42 114.74 2k0f h ASP 20 Ca 0.00 -0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 2k0f h ASP 20 Cb 0.56 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 2k0f h ASP 20 CO 0.00 1.23 0.00 0.61 -1.03 0.00 0.00 179.24 180.05 2k0f n GLY 21 N 1.63 1.02 2.97 7.15 0.00 -1.26 -5.11 105.19 111.59 2k0f n GLY 21 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 0.39 -0.13 2.61 -4.23 -1.26 -3.34 115.64 107.67 2k0f s THR 22 Ca 0.00 -0.40 -0.10 0.00 -1.18 0.00 0.00 61.69 60.01 2k0f s THR 22 Cb 0.00 -0.37 -0.05 0.00 1.34 0.00 0.00 72.50 73.43 2k0f s THR 22 CO 0.00 -0.02 0.20 -0.63 -0.54 0.00 0.00 174.62 173.63 2k0f s ILE 23 N -0.42 5.39 0.45 2.99 1.01 -0.61 -4.72 121.20 125.30 2k0f s ILE 23 Ca -0.01 0.34 0.08 0.00 0.00 0.00 0.00 60.65 61.06 2k0f s ILE 23 Cb -0.04 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2k0f s ILE 23 CO -0.00 0.52 0.43 0.42 0.00 0.00 0.00 174.94 176.32 2k0f s THR 24 N -0.39 2.47 0.15 2.92 -4.23 -1.26 -3.65 115.64 111.66 2k0f s THR 24 Ca 0.14 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.24 2k0f s THR 24 Cb -0.12 -2.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 2k0f s THR 24 CO 0.04 0.00 1.53 0.71 -0.54 0.00 0.00 174.62 176.35 2k0f h THR 25 N 0.88 1.27 -0.66 3.99 1.35 -1.96 -0.89 112.91 116.89 2k0f h THR 25 Ca -0.39 -1.39 0.12 0.00 -0.55 0.00 0.00 66.41 64.20 2k0f h THR 25 Cb 1.28 1.19 -0.13 0.00 -1.73 0.00 0.00 68.15 68.76 2k0f h THR 25 CO 0.55 0.48 -0.26 0.11 -0.25 0.00 0.00 175.52 176.15 2k0f h LYS 26 N 0.80 -0.08 -0.02 4.72 1.79 -1.98 0.66 116.57 122.48 2k0f h LYS 26 Ca 0.10 0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.40 2k0f h LYS 26 Cb 0.81 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 2k0f h LYS 26 CO 0.07 -0.05 -0.79 0.93 -1.08 0.00 0.00 179.45 178.53 2k0f h GLU 27 N -0.08 0.18 0.05 3.15 5.08 -1.79 0.95 114.58 122.13 2k0f h GLU 27 Ca 0.29 -0.18 -0.24 0.00 -1.00 0.00 0.00 59.36 58.23 2k0f h GLU 27 Cb 0.54 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 27 CO -0.71 0.88 -1.15 1.25 -1.00 0.00 0.00 179.01 178.28 2k0f h LEU 28 N 0.11 0.17 -0.44 1.33 5.85 -1.19 0.45 115.31 121.60 2k0f h LEU 28 Ca -0.03 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2k0f h LEU 28 Cb 1.38 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 2k0f h LEU 28 CO 0.12 1.15 0.18 1.23 -0.34 0.00 0.00 178.44 180.78 2k0f h GLY 29 N 2.47 0.59 1.04 3.75 0.00 -0.81 -2.43 103.07 107.69 2k0f h GLY 29 Ca -0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2k0f h GLY 29 CO 0.15 0.05 0.32 -0.84 0.00 0.00 0.00 176.54 176.23 2k0f h THR 30 N 0.37 1.26 -0.07 4.70 2.02 -0.32 0.30 112.91 121.17 2k0f h THR 30 Ca 0.20 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.60 2k0f h THR 30 Cb 0.16 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2k0f h THR 30 CO -0.18 0.33 -0.07 0.58 0.37 0.00 0.00 175.52 176.55 2k0f h VAL 31 N 1.13 0.81 0.54 3.16 2.07 -0.10 -2.34 116.25 121.53 2k0f h VAL 31 Ca 0.26 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.76 2k0f h VAL 31 Cb 0.20 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2k0f h VAL 31 CO -0.02 0.00 -0.26 0.24 0.02 0.00 0.00 177.57 177.55 2k0f h MET 32 N -0.08 -0.69 -0.98 1.57 2.86 -1.24 -3.05 114.93 113.31 2k0f h MET 32 Ca 0.05 0.05 0.25 0.00 -2.06 0.00 0.00 59.70 57.99 2k0f h MET 32 Cb 0.16 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 2k0f h MET 32 CO -0.12 -0.46 0.66 -0.09 1.06 0.00 0.00 176.91 177.96 2k0f h ARG 33 N -0.90 0.25 -0.00 1.72 9.65 -0.94 -0.82 114.38 123.33 2k0f h ARG 33 Ca -0.07 -0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 58.56 2k0f h ARG 33 Cb 0.55 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2k0f h ARG 33 CO 0.12 0.16 -0.94 0.77 2.80 0.00 0.00 179.97 182.88 2k0f h SER 34 N 0.25 0.57 -0.32 -3.80 0.02 -1.48 -3.05 113.55 105.74 2k0f h SER 34 Ca 0.51 -0.45 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2k0f h SER 34 Cb 1.54 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 2k0f h SER 34 CO -0.15 1.25 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.69 2k0f h LEU 35 N 0.25 0.58 0.00 5.07 3.38 -1.08 -3.48 115.31 120.03 2k0f h LEU 35 Ca -0.08 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2k0f h LEU 35 Cb 1.58 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2k0f h LEU 35 CO 0.17 0.78 0.00 0.61 0.09 0.00 0.00 178.44 180.09 2k0f n GLY 36 N -0.26 0.56 3.56 0.83 0.00 -0.55 -5.12 105.19 104.21 2k0f n GLY 36 Ca -0.02 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 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 0.92 -0.66 1.61 2.00 -1.20 -4.96 119.66 117.37 2k0f s GLN 37 Ca 0.00 0.63 -0.17 0.00 -2.00 0.00 0.00 55.36 53.82 2k0f s GLN 37 Cb 0.00 0.44 0.13 0.00 0.80 0.00 0.00 33.01 34.39 2k0f s GLN 37 CO 0.00 -0.20 0.72 -0.80 -0.50 0.00 0.00 175.29 174.51 2k0f s ASN 38 N -0.36 6.34 0.79 6.67 0.01 -1.26 -3.35 114.94 123.78 2k0f s ASN 38 Ca -0.05 -1.81 -0.12 0.00 -0.71 0.00 0.00 52.86 50.18 2k0f s ASN 38 Cb -0.03 -2.28 0.07 0.00 0.41 0.00 0.00 41.25 39.42 2k0f s ASN 38 CO 0.05 -0.96 1.11 -2.16 -1.51 0.00 0.00 177.10 173.63 2k0f s PRO 39 N 2.00 2.12 0.05 -0.60 0.04 -1.26 -5.08 135.00 132.27 2k0f s PRO 39 Ca 0.13 0.48 0.06 0.00 0.04 0.00 0.00 61.00 61.71 2k0f s PRO 39 Cb -0.21 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2k0f s PRO 39 CO 0.01 -1.56 -0.16 -0.08 0.04 0.00 0.00 177.00 175.25 2k0f s THR 40 N -3.28 1.29 0.01 1.26 -1.32 -1.26 -5.06 115.64 107.29 2k0f s THR 40 Ca 0.61 -1.13 -0.22 0.00 -1.21 0.00 0.00 61.69 59.73 2k0f s THR 40 Cb -0.13 -1.17 -0.17 0.00 -1.51 0.00 0.00 72.50 69.52 2k0f s THR 40 CO 0.53 0.01 1.28 -0.08 -2.21 0.00 0.00 174.62 174.15 2k0f h GLU 41 N 4.75 0.27 -0.96 7.08 4.81 -1.97 0.31 114.58 128.87 2k0f h GLU 41 Ca -0.40 -0.16 0.35 0.00 -0.13 0.00 0.00 59.36 59.02 2k0f h GLU 41 Cb 1.18 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.40 2k0f h GLU 41 CO 0.43 0.73 0.33 0.00 -0.73 0.00 0.00 179.01 179.77 2k0f n ALA 42 N -2.43 0.80 0.02 2.92 0.00 -1.26 -0.96 120.51 119.60 2k0f n ALA 42 Ca -0.07 1.00 -0.14 0.00 0.00 0.00 0.00 53.44 54.23 2k0f n ALA 42 Cb 0.37 -0.89 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 2k0f n ALA 42 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k0f h GLU 43 N 0.00 0.14 -0.41 0.00 4.81 -1.87 -3.23 114.58 114.02 2k0f h GLU 43 Ca 0.73 -0.25 0.12 0.00 -0.13 0.00 0.00 59.36 59.83 2k0f h GLU 43 Cb 1.79 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.25 2k0f h GLU 43 CO -0.80 0.90 0.29 -0.07 -0.73 0.00 0.00 179.01 178.61 2k0f h LEU 44 N 0.04 0.01 -0.63 1.64 3.38 -0.34 -0.34 115.31 119.07 2k0f h LEU 44 Ca -0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 2k0f h LEU 44 Cb 2.00 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 2k0f h LEU 44 CO 0.11 0.01 -0.53 1.56 0.09 0.00 0.00 178.44 179.68 2k0f h GLN 45 N 0.01 0.42 0.04 1.13 4.20 -1.10 -0.50 115.11 119.32 2k0f h GLN 45 Ca 0.20 -0.26 -0.24 0.00 0.06 0.00 0.00 58.65 58.41 2k0f h GLN 45 Cb 0.77 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2k0f h GLN 45 CO -0.00 0.85 -1.16 0.22 -0.67 0.00 0.00 178.83 178.06 2k0f h ASP 46 N 0.33 0.12 -0.34 1.46 3.58 -1.16 0.34 116.42 120.75 2k0f h ASP 46 Ca 0.01 -0.14 -0.12 0.00 0.42 0.00 0.00 57.03 57.19 2k0f h ASP 46 Cb 1.04 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 2k0f h ASP 46 CO 0.09 1.11 -0.25 0.24 -2.88 0.00 0.00 179.24 177.56 2k0f h MET 47 N 0.02 0.84 0.73 0.28 2.86 -1.03 -2.94 114.93 115.68 2k0f h MET 47 Ca -0.08 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.17 2k0f h MET 47 Cb 1.86 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 33.50 2k0f h MET 47 CO 0.14 0.99 -0.35 0.82 1.06 0.00 0.00 176.91 179.58 2k0f h ILE 48 N 0.72 0.26 -0.13 -1.22 2.04 -0.97 -3.27 117.51 114.94 2k0f h ILE 48 Ca 0.09 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2k0f h ILE 48 Cb 0.78 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2k0f h ILE 48 CO 0.06 0.01 0.01 0.78 0.00 0.00 0.00 178.15 179.01 2k0f h ASN 49 N -1.03 0.16 0.36 1.72 2.35 -0.43 -2.30 115.58 116.42 2k0f h ASN 49 Ca -0.10 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2k0f h ASN 49 Cb 0.76 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2k0f h ASN 49 CO 0.16 0.19 -0.30 -0.08 -1.65 0.00 0.00 177.43 175.76 2k0f h GLU 50 N 0.18 -0.64 -0.00 0.81 4.57 -1.57 -2.98 114.58 114.95 2k0f h GLU 50 Ca 0.05 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2k0f h GLU 50 Cb 0.11 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2k0f h GLU 50 CO 0.00 -0.43 -0.05 1.33 -1.18 0.00 0.00 179.01 178.68 2k0f n VAL 51 N -5.42 0.00 -2.56 0.32 0.24 -1.10 -4.93 118.33 104.88 2k0f n VAL 51 Ca -0.10 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.34 61.78 2k0f n VAL 51 Cb 0.32 -0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 32.28 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 -2.64 7.36 -0.16 -1.34 -1.08 -0.88 -4.92 116.67 113.00 2k0f s ASP 52 Ca 0.25 2.14 0.12 0.00 -0.52 0.00 0.00 52.55 54.53 2k0f s ASP 52 Cb 0.20 -2.62 -0.23 0.00 -1.46 0.00 0.00 42.92 38.81 2k0f s ASP 52 CO 0.49 -0.09 0.19 0.00 0.52 0.00 0.00 175.17 176.28 2k0f n ALA 53 N 1.61 1.43 -2.00 3.66 0.00 -1.26 -4.89 120.51 119.06 2k0f n ALA 53 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.35 2k0f n ALA 53 Cb 0.46 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.98 0.00 0.00 0.00 5.68 -1.26 -5.08 116.55 112.91 2k0f n ASP 54 Ca -0.31 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 2k0f n ASP 54 Cb 1.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.07 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 4.05 0.00 0.30 6.12 0.00 -1.26 -5.00 105.19 109.40 2k0f n GLY 55 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 -1.07 -2.01 -3.46 115.58 110.65 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.03 0.00 0.61 0.07 0.00 0.00 177.43 178.14 2k0f n GLY 57 N -0.50 4.27 3.47 9.14 0.00 -1.26 -5.10 105.19 115.21 2k0f n GLY 57 Ca -0.01 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 2.78 -0.15 2.61 -4.23 -1.26 -4.89 115.64 110.50 2k0f s THR 58 Ca 0.00 -1.44 -0.29 0.00 -1.18 0.00 0.00 61.69 58.78 2k0f s THR 58 Cb 0.00 -2.24 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 2k0f s THR 58 CO 0.00 0.16 1.86 -0.51 -0.54 0.00 0.00 174.62 175.60 2k0f s ILE 59 N -1.08 3.34 0.61 2.99 2.07 -1.24 -4.92 121.20 122.98 2k0f s ILE 59 Ca 0.17 0.38 0.07 0.00 -1.41 0.00 0.00 60.65 59.86 2k0f s ILE 59 Cb -0.10 -3.34 0.10 0.00 0.13 0.00 0.00 42.46 39.24 2k0f s ILE 59 CO 0.08 -0.14 0.85 -1.81 -1.91 0.00 0.00 174.94 172.01 2k0f s ASP 60 N 5.31 4.89 0.06 4.50 1.01 -1.26 -1.57 116.67 129.61 2k0f s ASP 60 Ca 0.83 -0.70 -0.25 0.00 0.71 0.00 0.00 52.55 53.15 2k0f s ASP 60 Cb -0.32 0.19 -0.16 0.00 1.01 0.00 0.00 42.92 43.64 2k0f s ASP 60 CO 0.34 -1.48 1.61 0.15 0.21 0.00 0.00 175.17 176.00 2k0f h PHE 61 N -0.02 -0.10 0.00 4.23 3.57 -1.95 -2.75 116.94 119.92 2k0f h PHE 61 Ca -0.32 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.18 2k0f h PHE 61 Cb 1.28 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2k0f h PHE 61 CO 0.24 0.03 -0.15 -0.35 -2.23 0.00 0.00 178.31 175.86 2k0f n PRO 62 N -5.09 0.01 -0.06 6.41 -0.04 -1.26 -1.16 135.00 133.81 2k0f n PRO 62 Ca -0.08 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 2k0f n PRO 62 Cb 0.12 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.38 -0.21 0.54 5.08 -1.92 0.61 114.58 119.06 2k0f h GLU 63 Ca 0.00 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2k0f h GLU 63 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2k0f h GLU 63 CO 0.00 0.73 0.08 0.35 -1.00 0.00 0.00 179.01 179.17 2k0f h PHE 64 N 0.04 0.15 -1.00 4.33 3.04 -0.83 0.94 116.94 123.61 2k0f h PHE 64 Ca 0.03 0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.18 2k0f h PHE 64 Cb 0.64 -0.03 -0.10 0.00 2.56 0.00 0.00 35.95 39.01 2k0f h PHE 64 CO 0.08 0.07 0.61 -0.07 -2.02 0.00 0.00 178.31 176.98 2k0f h LEU 65 N 0.18 0.78 -0.61 0.59 3.38 -1.32 0.20 115.31 118.52 2k0f h LEU 65 Ca 0.09 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 2k0f h LEU 65 Cb 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k0f h LEU 65 CO -0.09 0.28 -0.52 0.74 0.09 0.00 0.00 178.44 178.94 2k0f h THR 66 N 0.76 1.33 -0.54 0.22 2.02 -0.02 -1.97 112.91 114.71 2k0f h THR 66 Ca 0.57 -1.76 -0.10 0.00 0.77 0.00 0.00 66.41 65.90 2k0f h THR 66 Cb 0.90 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 2k0f h THR 66 CO -0.37 0.54 -0.05 -0.03 0.37 0.00 0.00 175.52 175.98 2k0f h MET 67 N 0.37 0.96 0.00 6.66 -1.53 -0.50 -2.84 114.93 118.05 2k0f h MET 67 Ca 0.01 -0.31 0.00 0.00 -3.44 0.00 0.00 59.70 55.96 2k0f h MET 67 Cb 1.03 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 32.00 2k0f h MET 67 CO 0.09 0.98 -0.70 0.52 0.14 0.00 0.00 176.91 177.94 2k0f h MET 68 N 0.88 0.00 -0.00 0.39 2.07 -0.89 -3.37 114.93 114.01 2k0f h MET 68 Ca 0.15 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.78 2k0f h MET 68 Cb 0.58 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.31 2k0f h MET 68 CO 0.04 0.00 -0.21 0.00 1.07 0.00 0.00 176.91 177.81 2k0f n ALA 69 N -2.13 2.75 -1.85 6.32 0.00 -0.75 -4.91 120.51 119.94 2k0f n ALA 69 Ca 0.01 -0.32 -0.35 0.00 0.00 0.00 0.00 53.44 52.79 2k0f n ALA 69 Cb 0.53 -0.25 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.29 4.35 0.06 0.00 1.70 -1.07 -5.04 118.95 117.65 2k0f s ARG 70 Ca 0.05 1.15 -0.00 0.00 -0.47 0.00 0.00 55.73 56.45 2k0f s ARG 70 Cb 0.06 -2.48 -0.04 0.00 -0.57 0.00 0.00 34.95 31.92 2k0f s ARG 70 CO 0.22 0.13 0.21 0.21 -1.08 0.00 0.00 175.30 174.99 2k0f s LYS 71 N -2.67 3.45 0.15 3.89 2.20 -1.26 -5.01 119.74 120.49 2k0f s LYS 71 Ca 0.56 -0.42 0.10 0.00 -0.36 0.00 0.00 55.97 55.84 2k0f s LYS 71 Cb -0.13 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 2k0f s LYS 71 CO 0.18 0.61 -0.22 0.00 -0.36 0.00 0.00 175.35 175.56 2k0f s MET 72 N -2.49 1.33 0.71 4.03 0.23 -1.26 -5.15 119.30 116.70 2k0f s MET 72 Ca 0.35 -1.38 -0.11 0.00 -1.03 0.00 0.00 55.69 53.52 2k0f s MET 72 Cb -0.13 -1.58 0.01 0.00 -1.53 0.00 0.00 34.83 31.61 2k0f s MET 72 CO 0.27 0.35 1.07 -1.59 -2.03 0.00 0.00 175.02 173.09 2k0f s LYS 73 N -2.46 2.85 0.00 3.16 -2.85 -1.26 -4.90 119.74 114.27 2k0f s LYS 73 Ca 0.15 0.68 0.05 0.00 -1.00 0.00 0.00 55.97 55.85 2k0f s LYS 73 Cb -0.08 -2.00 0.33 0.00 -2.06 0.00 0.00 37.83 34.01 2k0f s LYS 73 CO 0.07 -1.09 0.73 -0.25 0.10 0.00 0.00 175.35 174.91 2k0f n ASP 74 N -3.08 0.00 -0.06 0.03 8.00 -1.26 -2.31 116.55 117.87 2k0f n ASP 74 Ca 0.07 -0.27 -0.22 0.00 0.71 0.00 0.00 54.79 55.07 2k0f n ASP 74 Cb 0.55 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.53 2k0f n ASP 74 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k0f n THR 75 N -0.88 1.65 -0.08 -3.53 -2.24 -1.26 -4.26 114.28 103.67 2k0f n THR 75 Ca 0.04 -0.43 -0.04 0.00 -2.27 0.00 0.00 64.05 61.35 2k0f n THR 75 Cb 0.02 -1.80 0.18 0.00 -2.10 0.00 0.00 70.33 66.63 2k0f n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 76 N -0.35 0.70 0.46 3.42 3.32 -1.88 -2.22 116.42 119.87 2k0f h ASP 76 Ca -0.45 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.30 2k0f h ASP 76 Cb 1.76 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.11 2k0f h ASP 76 CO -0.07 0.79 -0.58 -1.28 -1.72 0.00 0.00 179.24 176.38 2k0f h SER 77 N 0.68 0.13 0.08 6.45 0.87 -1.64 -2.66 113.55 117.47 2k0f h SER 77 Ca 0.13 -0.07 -0.37 0.00 -1.23 0.00 0.00 61.79 60.25 2k0f h SER 77 Cb 0.46 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 2k0f h SER 77 CO 0.02 0.68 -2.26 1.21 -0.53 0.00 0.00 176.83 175.96 2k0f n GLU 78 N -3.87 0.69 -0.07 2.24 4.07 -1.18 -4.09 120.64 118.43 2k0f n GLU 78 Ca -0.02 0.17 -0.13 0.00 -0.06 0.00 0.00 57.16 57.13 2k0f n GLU 78 Cb 0.59 -1.60 -0.06 0.00 -0.06 0.00 0.00 31.44 30.31 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2k0f h GLU 79 N 0.02 0.47 -0.33 5.31 4.81 -1.43 -3.09 114.58 120.35 2k0f h GLU 79 Ca -0.50 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 58.35 2k0f h GLU 79 Cb 2.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 2k0f h GLU 79 CO -0.01 0.81 -0.32 1.49 -0.73 0.00 0.00 179.01 180.26 2k0f h GLU 80 N 0.15 0.71 -0.12 1.92 4.81 -1.66 -1.76 114.58 118.63 2k0f h GLU 80 Ca 0.03 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 2k0f h GLU 80 Cb 0.72 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 2k0f h GLU 80 CO 0.05 0.94 -0.12 0.97 -0.73 0.00 0.00 179.01 180.11 2k0f h ILE 81 N 0.60 1.35 -0.15 2.32 2.10 -1.71 0.03 117.51 122.06 2k0f h ILE 81 Ca 0.07 -1.29 -0.09 0.00 1.08 0.00 0.00 64.86 64.63 2k0f h ILE 81 Cb 0.84 1.93 -0.01 0.00 -1.09 0.00 0.00 36.82 38.48 2k0f h ILE 81 CO 0.07 0.37 -0.30 0.03 -1.08 0.00 0.00 178.15 177.24 2k0f h ARG 82 N -0.09 0.28 -0.87 2.19 3.08 -1.42 0.14 114.38 117.69 2k0f h ARG 82 Ca 0.02 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 59.99 2k0f h ARG 82 Cb 0.65 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 2k0f h ARG 82 CO 0.03 0.56 0.57 1.49 -1.07 0.00 0.00 179.97 181.55 2k0f h GLU 83 N 0.25 1.08 0.00 0.04 4.57 -1.28 -3.23 114.58 116.00 2k0f h GLU 83 Ca 0.04 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 58.01 2k0f h GLU 83 Cb 0.66 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2k0f h GLU 83 CO 0.05 0.71 -0.67 0.00 -1.18 0.00 0.00 179.01 177.93 2k0f h ALA 84 N 1.35 0.80 -0.79 2.92 0.00 0.12 -2.95 119.26 120.71 2k0f h ALA 84 Ca 0.34 -0.61 0.17 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 84 Cb -0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.55 2k0f h ALA 84 CO -0.11 0.83 0.26 0.35 0.00 0.00 0.00 179.25 180.59 2k0f h PHE 85 N 0.00 0.43 -0.50 0.00 3.57 -0.86 -1.30 116.94 118.28 2k0f h PHE 85 Ca -0.01 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.33 2k0f h PHE 85 Cb 1.25 -0.07 -0.12 0.00 2.79 0.00 0.00 35.95 39.80 2k0f h PHE 85 CO 0.00 -0.04 0.26 2.89 -2.23 0.00 0.00 178.31 179.19 2k0f n ARG 86 N -5.09 2.18 -0.13 1.11 1.85 -1.12 -1.72 116.66 113.75 2k0f n ARG 86 Ca 0.16 -1.75 -0.28 0.00 -1.00 0.00 0.00 57.85 54.99 2k0f n ARG 86 Cb 0.50 -1.76 -0.10 0.00 -1.05 0.00 0.00 32.46 30.05 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f n VAL 87 N -0.20 1.53 -0.02 8.89 0.31 -0.50 -4.57 118.33 123.77 2k0f n VAL 87 Ca 0.29 -0.37 -0.09 0.00 -0.01 0.00 0.00 64.34 64.15 2k0f n VAL 87 Cb 1.06 -1.85 0.06 0.00 -0.91 0.00 0.00 33.84 32.20 2k0f n VAL 87 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2k0f h PHE 88 N -0.88 0.77 -3.54 3.52 0.04 -1.41 -3.40 116.94 112.04 2k0f h PHE 88 Ca -0.65 -0.25 -0.61 0.00 2.80 0.00 0.00 57.97 59.26 2k0f h PHE 88 Cb 1.62 -0.16 -0.12 0.00 2.20 0.00 0.00 35.95 39.49 2k0f h PHE 88 CO -0.05 0.98 -0.09 0.34 -0.60 0.00 0.00 178.31 178.89 2k0f s ASP 89 N -6.89 6.46 -0.11 2.17 2.15 -0.70 -4.47 116.67 115.28 2k0f s ASP 89 Ca -0.08 0.54 -0.06 0.00 0.43 0.00 0.00 52.55 53.38 2k0f s ASP 89 Cb 0.12 -2.27 -0.02 0.00 -0.30 0.00 0.00 42.92 40.45 2k0f s ASP 89 CO 0.84 -0.20 -0.12 0.50 -0.17 0.00 0.00 175.17 176.02 2k0f h LYS 90 N 7.72 0.00 0.00 4.34 3.64 -1.87 -3.42 116.57 126.97 2k0f h LYS 90 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2k0f h LYS 90 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2k0f h LYS 90 CO 0.72 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.50 2k0f n ASP 91 N -4.17 0.00 0.00 4.20 5.68 -1.26 -4.97 116.55 116.03 2k0f n ASP 91 Ca -0.05 0.84 0.00 0.00 -0.50 0.00 0.00 54.79 55.08 2k0f n ASP 91 Cb 0.19 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 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 -0.87 -0.01 0.08 6.12 0.00 -1.26 -5.05 105.19 104.21 2k0f n GLY 92 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.72 0.00 1.61 0.23 -1.26 -4.99 115.26 111.57 2k0f n ASN 93 Ca 0.00 0.34 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 2k0f n ASN 93 Cb 0.00 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 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 1.56 0.77 3.05 4.83 0.00 -1.26 -5.05 105.19 109.09 2k0f n GLY 94 Ca -0.18 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 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 1.73 -0.28 1.61 1.51 -1.26 -4.26 117.35 114.40 2k0f s TYR 95 Ca 0.00 -0.71 -0.10 0.00 -1.01 0.00 0.00 57.07 55.25 2k0f s TYR 95 Cb 0.00 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 2k0f s TYR 95 CO 0.00 -0.36 0.16 0.42 -1.11 0.00 0.00 175.55 174.67 2k0f s ILE 96 N 0.76 5.03 0.75 2.71 1.01 -0.93 -4.88 121.20 125.64 2k0f s ILE 96 Ca -0.12 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 2k0f s ILE 96 Cb -0.16 -3.41 0.12 0.00 0.01 0.00 0.00 42.46 39.02 2k0f s ILE 96 CO 0.03 0.24 1.04 -0.94 0.00 0.00 0.00 174.94 175.31 2k0f s SER 97 N 1.72 4.29 0.10 3.58 1.04 -1.26 -2.20 113.70 120.97 2k0f s SER 97 Ca 0.07 -0.04 -0.17 0.00 0.48 0.00 0.00 55.95 56.28 2k0f s SER 97 Cb -0.16 -0.38 -0.05 0.00 0.10 0.00 0.00 66.02 65.53 2k0f s SER 97 CO 0.09 -1.91 1.56 0.00 0.98 0.00 0.00 173.24 173.96 2k0f h ALA 98 N -0.70 0.42 0.47 5.32 0.00 -1.95 0.10 119.26 122.93 2k0f h ALA 98 Ca -0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 98 Cb 1.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2k0f h ALA 98 CO 0.45 0.16 -0.48 0.00 0.00 0.00 0.00 179.25 179.38 2k0f h ALA 99 N 0.86 -1.13 -0.32 0.00 0.00 -1.99 -0.74 119.26 115.94 2k0f h ALA 99 Ca 0.09 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2k0f h ALA 99 Cb 0.40 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 2k0f h ALA 99 CO 0.01 -1.16 -0.16 0.93 0.00 0.00 0.00 179.25 178.87 2k0f h GLU 100 N -0.95 -0.11 -0.38 0.00 5.08 -1.87 -1.51 114.58 114.84 2k0f h GLU 100 Ca -0.06 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 100 Cb 0.82 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.03 2k0f h GLU 100 CO -0.06 -0.08 -0.10 1.25 -1.00 0.00 0.00 179.01 179.03 2k0f h LEU 101 N -0.12 -0.36 -0.56 1.33 5.85 -0.95 0.51 115.31 121.00 2k0f h LEU 101 Ca 0.16 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 101 Cb 0.37 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2k0f h LEU 101 CO -0.39 -0.13 0.18 -0.09 -0.34 0.00 0.00 178.44 177.66 2k0f h ARG 102 N -0.00 0.86 -0.13 1.25 2.43 -0.52 -2.44 114.38 115.82 2k0f h ARG 102 Ca 0.18 -0.18 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2k0f h ARG 102 Cb 0.28 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2k0f h ARG 102 CO -0.39 0.78 -0.57 0.45 -1.51 0.00 0.00 179.97 178.73 2k0f h HIS 103 N 0.77 0.52 -0.70 2.20 3.86 -1.15 -1.13 115.15 119.52 2k0f h HIS 103 Ca 0.18 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2k0f h HIS 103 Cb 0.28 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 2k0f h HIS 103 CO 0.02 0.88 0.41 -0.24 0.86 0.00 0.00 177.93 179.86 2k0f h VAL 104 N 0.31 1.21 -0.34 2.45 3.04 -0.74 -0.39 116.25 121.79 2k0f h VAL 104 Ca 0.00 -0.48 -0.04 0.00 -1.01 0.00 0.00 66.70 65.17 2k0f h VAL 104 Cb 1.09 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 2k0f h VAL 104 CO 0.10 0.22 0.04 0.24 -1.01 0.00 0.00 177.57 177.16 2k0f h MET 105 N 0.96 0.57 -0.76 4.17 2.07 -1.24 -2.37 114.93 118.33 2k0f h MET 105 Ca 0.25 -0.16 0.09 0.00 -2.07 0.00 0.00 59.70 57.81 2k0f h MET 105 Cb -0.00 -0.06 -0.07 0.00 -1.87 0.00 0.00 31.60 29.59 2k0f h MET 105 CO -0.04 0.66 0.41 1.15 1.07 0.00 0.00 176.91 180.16 2k0f h THR 106 N 0.40 0.89 -0.19 2.22 2.02 -1.03 0.15 112.91 117.38 2k0f h THR 106 Ca 0.10 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 2k0f h THR 106 Cb 0.38 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2k0f h THR 106 CO 0.01 0.13 -0.41 0.78 0.37 0.00 0.00 175.52 176.40 2k0f h ASN 107 N 0.70 0.47 0.40 4.18 2.35 -1.02 -3.26 115.58 119.40 2k0f h ASN 107 Ca 0.36 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2k0f h ASN 107 Cb 0.34 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2k0f h ASN 107 CO -0.25 0.83 -0.19 -0.07 -1.65 0.00 0.00 177.43 176.10 2k0f h LEU 108 N 0.37 -0.45 0.00 1.61 3.38 -1.29 -3.44 115.31 115.48 2k0f h LEU 108 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k0f h LEU 108 Cb 0.88 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2k0f h LEU 108 CO 0.07 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.04 2k0f n GLY 109 N -0.03 0.00 3.46 0.83 0.00 -0.46 -4.72 105.19 104.27 2k0f n GLY 109 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 3.44 -0.90 1.61 2.56 0.42 -4.78 118.70 121.06 2k0f s GLU 110 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 54.97 54.15 2k0f s GLU 110 Cb 0.00 -3.55 0.15 0.00 2.00 0.00 0.00 34.13 32.72 2k0f s GLU 110 CO 0.00 -0.37 1.04 -1.59 -0.56 0.00 0.00 175.26 173.79 2k0f s LYS 111 N 1.63 3.58 0.64 4.30 -2.85 -1.26 -3.00 119.74 122.78 2k0f s LYS 111 Ca 0.05 -1.88 -0.09 0.00 -1.00 0.00 0.00 55.97 53.06 2k0f s LYS 111 Cb -0.17 -4.79 0.00 0.00 -2.06 0.00 0.00 37.83 30.82 2k0f s LYS 111 CO 0.07 -1.67 1.00 -0.51 0.10 0.00 0.00 175.35 174.34 2k0f s LEU 112 N 2.20 3.09 0.45 2.77 1.43 -1.26 -5.09 118.68 122.27 2k0f s LEU 112 Ca 0.29 0.99 0.06 0.00 -1.03 0.00 0.00 54.13 54.44 2k0f s LEU 112 Cb -0.06 -3.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 2k0f s LEU 112 CO -0.09 -1.16 0.20 0.42 0.23 0.00 0.00 176.35 175.96 2k0f s THR 113 N -3.17 2.05 0.21 5.49 -4.23 -1.26 -5.04 115.64 109.69 2k0f s THR 113 Ca 0.56 -1.69 -0.03 0.00 -1.18 0.00 0.00 61.69 59.34 2k0f s THR 113 Cb -0.11 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 2k0f s THR 113 CO 0.49 0.00 1.57 0.44 -0.54 0.00 0.00 174.62 176.58 2k0f h ASP 114 N 1.29 0.67 -0.20 3.99 5.19 -2.02 -2.20 116.42 123.15 2k0f h ASP 114 Ca -0.42 -0.30 0.02 0.00 -0.62 0.00 0.00 57.03 55.71 2k0f h ASP 114 Cb 1.27 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 2k0f h ASP 114 CO 0.68 0.99 -0.12 1.21 -3.12 0.00 0.00 179.24 178.89 2k0f n GLU 115 N -4.03 -0.09 0.17 3.56 2.13 -1.26 -2.65 120.64 118.47 2k0f n GLU 115 Ca -0.02 0.40 0.04 0.00 0.66 0.00 0.00 57.16 58.25 2k0f n GLU 115 Cb 0.52 -0.60 0.27 0.00 0.27 0.00 0.00 31.44 31.90 2k0f n GLU 115 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2k0f h GLU 116 N 0.00 0.00 0.04 5.31 5.08 -1.80 -2.73 114.58 120.48 2k0f h GLU 116 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 116 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 116 CO -0.18 0.44 -0.02 0.28 -1.00 0.00 0.00 179.01 178.53 2k0f h VAL 117 N 0.00 0.00 -0.14 3.13 2.07 -1.52 -0.50 116.25 119.29 2k0f h VAL 117 Ca -0.00 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2k0f h VAL 117 Cb 1.01 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2k0f h VAL 117 CO 0.06 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.27 2k0f h ASP 118 N -0.06 0.00 1.68 0.57 3.32 -1.68 -2.46 116.42 117.79 2k0f h ASP 118 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 2k0f h ASP 118 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2k0f h ASP 118 CO 0.01 0.00 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.14 2k0f h GLU 119 N 0.00 0.00 0.07 3.56 4.57 -1.18 -1.04 114.58 120.56 2k0f h GLU 119 Ca 0.07 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.12 2k0f h GLU 119 Cb 0.42 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2k0f h GLU 119 CO -0.00 0.31 -0.60 0.52 -1.18 0.00 0.00 179.01 178.06 2k0f h MET 120 N 0.00 0.15 -0.29 1.92 2.86 -0.65 -2.38 114.93 116.55 2k0f h MET 120 Ca -0.00 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.39 2k0f h MET 120 Cb 1.23 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.97 2k0f h MET 120 CO 0.04 1.13 0.15 0.82 1.06 0.00 0.00 176.91 180.11 2k0f h ILE 121 N -0.66 1.00 0.00 -1.22 2.04 -1.56 -2.30 117.51 114.82 2k0f h ILE 121 Ca -0.12 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2k0f h ILE 121 Cb 1.38 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2k0f h ILE 121 CO 0.06 0.06 0.00 -1.14 0.00 0.00 0.00 178.15 177.12 2k0f n ARG 122 N -4.95 0.01 -0.06 2.37 0.63 -0.39 -0.17 116.66 114.10 2k0f n ARG 122 Ca -0.01 0.31 -0.03 0.00 -0.92 0.00 0.00 57.85 57.20 2k0f n ARG 122 Cb 0.06 -1.52 -0.03 0.00 0.45 0.00 0.00 32.46 31.43 2k0f n ARG 122 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2k0f h GLU 123 N 0.00 0.00 0.00 -0.14 4.81 -0.88 -3.40 114.58 114.97 2k0f h GLU 123 Ca 0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 2k0f h GLU 123 Cb 0.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2k0f h GLU 123 CO 0.00 0.20 -0.87 0.00 -0.73 0.00 0.00 179.01 177.61 2k0f h ALA 124 N -0.82 0.57 -2.59 2.92 0.00 -1.03 -3.47 119.26 114.84 2k0f h ALA 124 Ca -0.01 -0.77 -0.53 0.00 0.00 0.00 0.00 54.91 53.61 2k0f h ALA 124 Cb 0.25 -0.12 0.04 0.00 0.00 0.00 0.00 17.79 17.96 2k0f h ALA 124 CO -0.01 1.03 0.86 0.34 0.00 0.00 0.00 179.25 181.48 2k0f s ASP 125 N -6.81 6.62 -0.02 0.00 2.15 0.76 -4.82 116.67 114.56 2k0f s ASP 125 Ca -0.01 2.58 -0.02 0.00 0.43 0.00 0.00 52.55 55.53 2k0f s ASP 125 Cb 0.11 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2k0f s ASP 125 CO 0.81 -0.81 -0.03 -0.38 -0.17 0.00 0.00 175.17 174.59 2k0f n ILE 126 N 4.00 0.14 0.00 4.11 5.41 -1.26 -4.89 119.36 126.87 2k0f n ILE 126 Ca 0.14 0.45 0.00 0.00 1.00 0.00 0.00 62.75 64.34 2k0f n ILE 126 Cb 0.39 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 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 -2.68 0.00 0.00 4.38 5.68 -1.26 -4.96 116.55 117.71 2k0f n ASP 127 Ca -0.01 0.90 0.00 0.00 -0.50 0.00 0.00 54.79 55.17 2k0f n ASP 127 Cb 0.05 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 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 -0.91 -0.07 0.10 6.12 0.00 -1.26 -5.05 105.19 104.12 2k0f n GLY 128 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.98 -3.48 116.42 115.61 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 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.64 0.00 0.61 -2.04 0.00 0.00 179.24 178.45 2k0f n GLY 130 N 1.38 0.62 2.98 7.15 0.00 -1.26 -5.07 105.19 111.00 2k0f n GLY 130 Ca -0.08 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.16 0.41 -0.25 1.61 -0.21 -1.26 -4.69 119.66 114.11 2k0f s GLN 131 Ca 0.00 -0.36 -0.20 0.00 0.02 0.00 0.00 55.36 54.81 2k0f s GLN 131 Cb 0.00 -0.31 -0.02 0.00 1.00 0.00 0.00 33.01 33.68 2k0f s GLN 131 CO 0.00 0.08 0.62 0.08 -2.12 0.00 0.00 175.29 173.95 2k0f s VAL 132 N -0.55 4.99 0.00 1.09 1.01 -0.93 -4.79 120.40 121.22 2k0f s VAL 132 Ca -0.03 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.08 2k0f s VAL 132 Cb -0.05 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2k0f s VAL 132 CO -0.00 0.04 0.00 -0.46 0.00 0.00 0.00 175.10 174.68 2k0f n ASN 133 N 5.62 0.00 0.10 3.32 0.23 -1.26 -2.19 115.26 121.08 2k0f n ASN 133 Ca -0.01 -0.99 -0.13 0.00 -0.53 0.00 0.00 54.58 52.93 2k0f n ASN 133 Cb 0.49 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.11 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 -0.64 -0.26 -0.93 -2.53 3.20 -1.98 -1.71 116.97 112.13 2k0f h TYR 134 Ca 0.00 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.05 2k0f h TYR 134 Cb 0.00 0.09 -0.11 0.00 1.54 0.00 0.00 36.73 38.25 2k0f h TYR 134 CO 0.00 0.09 0.50 1.49 -1.64 0.00 0.00 178.16 178.60 2k0f h GLU 135 N -0.66 0.59 0.00 1.82 4.81 -1.97 -1.50 114.58 117.67 2k0f h GLU 135 Ca -0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 135 Cb 0.47 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2k0f h GLU 135 CO 0.05 0.39 -0.00 0.93 -0.73 0.00 0.00 179.01 179.65 2k0f h GLU 136 N 0.61 -0.00 -0.15 1.92 5.08 -1.89 -2.03 114.58 118.12 2k0f h GLU 136 Ca 0.55 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.95 2k0f h GLU 136 Cb 0.90 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 2k0f h GLU 136 CO -0.42 0.29 -0.14 0.35 -1.00 0.00 0.00 179.01 178.08 2k0f h PHE 137 N -0.29 -0.36 -0.04 4.33 3.57 -0.67 0.96 116.94 124.44 2k0f h PHE 137 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k0f h PHE 137 Cb 0.29 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2k0f h PHE 137 CO 0.02 -0.21 0.03 0.28 -2.23 0.00 0.00 178.31 176.20 2k0f h VAL 138 N -0.17 1.02 -0.95 1.41 2.07 -1.34 -0.35 116.25 117.94 2k0f h VAL 138 Ca 0.10 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2k0f h VAL 138 Cb 0.31 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2k0f h VAL 138 CO -0.25 0.02 0.61 -0.61 0.02 0.00 0.00 177.57 177.37 2k0f h GLN 139 N 0.05 1.26 0.96 1.57 5.75 -1.10 0.51 115.11 124.11 2k0f h GLN 139 Ca 0.02 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 2k0f h GLN 139 Cb 0.00 -0.28 0.01 0.00 1.07 0.00 0.00 27.48 28.28 2k0f h GLN 139 CO -0.00 0.85 -0.49 1.98 -2.65 0.00 0.00 178.83 178.51 2k0f h MET 140 N 1.29 -1.28 0.23 1.69 4.05 -0.47 -3.38 114.93 117.07 2k0f h MET 140 Ca 0.35 0.09 -0.30 0.00 -0.28 0.00 0.00 59.70 59.56 2k0f h MET 140 Cb -0.13 0.29 0.03 0.00 -0.80 0.00 0.00 31.60 31.00 2k0f h MET 140 CO -0.07 -0.85 -1.30 0.52 0.23 0.00 0.00 176.91 175.43 2k0f h MET 141 N -1.33 0.48 -0.01 0.39 2.86 -0.58 -3.51 114.93 113.22 2k0f h MET 141 Ca -0.13 -0.81 0.00 0.00 -2.06 0.00 0.00 59.70 56.70 2k0f h MET 141 Cb 1.03 0.30 0.00 0.00 0.06 0.00 0.00 31.60 32.99 2k0f h MET 141 CO 0.20 1.39 0.00 2.41 1.06 0.00 0.00 176.91 181.97