#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 0.70 -0.39 -2.82 4.11 -2.05 -2.71 114.58 111.43 2k0f h GLU 2 Ca 0.00 -0.04 0.11 0.00 0.07 0.00 0.00 59.36 59.50 2k0f h GLU 2 Cb 0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2k0f h GLU 2 CO 0.00 0.47 0.38 1.05 0.07 0.00 0.00 179.01 180.98 2k0f h GLU 3 N 0.73 0.00 0.08 1.06 9.09 -2.06 -1.82 114.58 121.65 2k0f h GLU 3 Ca 0.26 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.40 2k0f h GLU 3 Cb 0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.15 2k0f h GLU 3 CO -0.12 0.00 -1.43 1.96 0.05 0.00 0.00 179.01 179.47 2k0f h GLN 4 N 0.00 0.17 -1.00 1.06 4.20 -1.92 -3.24 115.11 114.37 2k0f h GLN 4 Ca 0.18 -0.29 0.28 0.00 0.06 0.00 0.00 58.65 58.88 2k0f h GLN 4 Cb 0.95 0.11 -0.13 0.00 0.30 0.00 0.00 27.48 28.70 2k0f h GLN 4 CO -0.00 1.14 0.59 0.82 -0.67 0.00 0.00 178.83 180.71 2k0f h ILE 5 N -0.45 0.45 -0.26 2.54 1.08 -1.48 -1.22 117.51 118.17 2k0f h ILE 5 Ca -0.33 -0.17 -0.06 0.00 -0.39 0.00 0.00 64.86 63.91 2k0f h ILE 5 Cb 1.66 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 2k0f h ILE 5 CO -0.01 0.09 -0.12 0.00 -0.69 0.00 0.00 178.15 177.42 2k0f h ALA 6 N 1.77 1.33 0.00 1.87 0.00 -1.39 -2.45 119.26 120.39 2k0f h ALA 6 Ca 0.68 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 55.17 2k0f h ALA 6 Cb 1.40 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2k0f h ALA 6 CO -0.52 0.45 -1.19 0.93 0.00 0.00 0.00 179.25 178.92 2k0f h GLU 7 N 0.40 0.00 -0.55 0.00 5.08 -1.28 -3.19 114.58 115.04 2k0f h GLU 7 Ca 0.08 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 7 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2k0f h GLU 7 CO 0.03 0.42 0.03 0.74 -1.00 0.00 0.00 179.01 179.22 2k0f h PHE 8 N 0.00 0.98 -0.16 4.33 0.04 -1.27 -3.17 116.94 117.69 2k0f h PHE 8 Ca -0.12 -0.14 -0.11 0.00 2.80 0.00 0.00 57.97 60.39 2k0f h PHE 8 Cb 1.59 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 2k0f h PHE 8 CO 0.00 0.87 -0.39 -0.22 -0.60 0.00 0.00 178.31 177.97 2k0f h LYS 9 N 0.85 0.36 0.00 1.51 3.64 -1.43 -0.73 116.57 120.78 2k0f h LYS 9 Ca 0.16 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2k0f h LYS 9 Cb 0.47 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2k0f h LYS 9 CO 0.02 0.70 -0.55 0.93 -2.27 0.00 0.00 179.45 178.28 2k0f h GLU 10 N 0.30 0.00 -0.39 1.90 4.39 -1.63 -1.36 114.58 117.80 2k0f h GLU 10 Ca 0.03 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 2k0f h GLU 10 Cb 0.83 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2k0f h GLU 10 CO 0.07 0.55 -0.22 0.00 -1.16 0.00 0.00 179.01 178.25 2k0f h ALA 11 N 1.45 0.89 -0.45 3.43 0.00 -1.49 -2.44 119.26 120.65 2k0f h ALA 11 Ca -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2k0f h ALA 11 Cb 1.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2k0f h ALA 11 CO 0.07 0.63 0.14 0.35 0.00 0.00 0.00 179.25 180.44 2k0f h PHE 12 N 0.67 0.73 0.64 0.00 3.57 -0.87 0.22 116.94 121.89 2k0f h PHE 12 Ca 0.09 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2k0f h PHE 12 Cb 0.72 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2k0f h PHE 12 CO 0.04 0.65 -0.32 0.77 -2.23 0.00 0.00 178.31 177.22 2k0f h SER 13 N 0.59 -0.76 -0.57 0.41 0.02 -1.30 -1.37 113.55 110.58 2k0f h SER 13 Ca 0.15 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 2k0f h SER 13 Cb 0.27 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 2k0f h SER 13 CO -0.00 -0.53 -0.34 -0.11 -1.14 0.00 0.00 176.83 174.71 2k0f n LEU 14 N -5.47 -0.60 0.07 5.07 7.94 -0.92 -3.04 117.00 120.04 2k0f n LEU 14 Ca -0.13 1.40 -0.13 0.00 -1.11 0.00 0.00 56.01 56.04 2k0f n LEU 14 Cb 0.36 -0.32 -0.08 0.00 0.53 0.00 0.00 43.42 43.91 2k0f n LEU 14 CO 0.37 -1.02 0.80 0.15 -1.11 0.00 0.00 177.39 176.58 2k0f h PHE 15 N 0.00 -0.10 -4.18 1.96 3.57 -0.92 -3.44 116.94 113.83 2k0f h PHE 15 Ca 0.09 -0.00 -0.50 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 15 Cb 0.23 0.03 0.07 0.00 2.79 0.00 0.00 35.95 39.08 2k0f h PHE 15 CO -0.95 0.03 0.38 0.34 -2.23 0.00 0.00 178.31 175.88 2k0f s ASP 16 N -5.19 5.67 0.00 0.41 2.15 -0.52 -4.92 116.67 114.27 2k0f s ASP 16 Ca -0.14 1.88 0.25 0.00 0.43 0.00 0.00 52.55 54.97 2k0f s ASP 16 Cb 0.05 -2.54 0.52 0.00 -0.30 0.00 0.00 42.92 40.65 2k0f s ASP 16 CO 0.65 -1.24 1.42 0.29 -0.17 0.00 0.00 175.17 176.12 2k0f n LYS 17 N -2.01 1.25 -0.12 4.34 4.76 -1.26 -4.09 118.16 121.02 2k0f n LYS 17 Ca 0.09 -0.88 -0.20 0.00 -2.87 0.00 0.00 58.31 54.46 2k0f n LYS 17 Cb 0.53 -1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 32.14 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N -0.11 2.02 -0.16 4.39 8.00 -1.26 -5.02 116.55 124.42 2k0f n ASP 18 Ca 0.13 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2k0f n ASP 18 Cb 0.41 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 2.04 0.93 0.00 0.44 0.00 -1.26 -5.10 105.19 102.24 2k0f n GLY 19 Ca -0.43 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 1.20 0.27 -0.75 1.61 5.75 -1.26 -5.01 116.55 118.36 2k0f n ASP 20 Ca 0.00 -0.25 0.09 0.00 -0.01 0.00 0.00 54.79 54.61 2k0f n ASP 20 Cb 0.34 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.69 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 5.00 0.84 2.90 6.12 0.00 -1.26 -4.88 105.19 113.92 2k0f n GLY 21 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -1.56 0.23 -0.27 2.61 -4.23 -1.26 -1.71 115.64 109.44 2k0f s THR 22 Ca 0.31 -0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.60 2k0f s THR 22 Cb 0.17 -0.22 -0.04 0.00 1.34 0.00 0.00 72.50 73.75 2k0f s THR 22 CO 0.23 0.08 0.27 -0.63 -0.54 0.00 0.00 174.62 174.03 2k0f s ILE 23 N 0.11 5.26 0.43 2.99 1.01 -0.47 -4.95 121.20 125.57 2k0f s ILE 23 Ca -0.01 0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.84 2k0f s ILE 23 Cb -0.03 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.75 2k0f s ILE 23 CO -0.00 0.22 0.88 0.42 0.00 0.00 0.00 174.94 176.46 2k0f s THR 24 N 1.78 4.59 0.28 2.92 -4.23 -1.26 -2.93 115.64 116.79 2k0f s THR 24 Ca 0.11 1.09 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 2k0f s THR 24 Cb -0.16 -3.67 0.28 0.00 1.34 0.00 0.00 72.50 70.29 2k0f s THR 24 CO 0.10 -0.47 1.67 0.74 -0.54 0.00 0.00 174.62 176.12 2k0f h THR 25 N 1.39 0.41 -0.05 3.99 2.02 -1.93 -1.89 112.91 116.86 2k0f h THR 25 Ca -0.48 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 66.65 2k0f h THR 25 Cb 1.18 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 2k0f h THR 25 CO 0.63 0.05 -0.27 0.11 0.37 0.00 0.00 175.52 176.41 2k0f h LYS 26 N 0.27 -0.37 -0.73 6.66 1.79 -1.95 0.69 116.57 122.93 2k0f h LYS 26 Ca 0.51 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 59.12 2k0f h LYS 26 Cb 0.98 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.66 2k0f h LYS 26 CO -0.58 -0.25 0.48 0.93 -1.08 0.00 0.00 179.45 178.95 2k0f h GLU 27 N -0.38 0.56 0.21 3.15 5.08 -1.84 0.29 114.58 121.65 2k0f h GLU 27 Ca 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 27 Cb 0.49 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 27 CO -0.27 0.37 -0.10 1.25 -1.00 0.00 0.00 179.01 179.26 2k0f h LEU 28 N 0.58 -0.24 -1.74 1.33 5.85 -0.54 -2.44 115.31 118.09 2k0f h LEU 28 Ca 0.34 -0.25 0.15 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 28 Cb 0.55 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2k0f h LEU 28 CO -0.12 0.16 0.46 1.23 -0.34 0.00 0.00 178.44 179.83 2k0f h GLY 29 N -0.69 0.43 1.17 3.75 0.00 0.85 -0.90 103.07 107.67 2k0f h GLY 29 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2k0f h GLY 29 CO 0.05 0.04 0.46 -0.84 0.00 0.00 0.00 176.54 176.25 2k0f h THR 30 N 0.25 1.23 0.16 4.70 2.02 0.03 -0.87 112.91 120.43 2k0f h THR 30 Ca 0.33 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2k0f h THR 30 Cb 0.92 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2k0f h THR 30 CO -0.07 0.25 -0.08 0.58 0.37 0.00 0.00 175.52 176.57 2k0f h VAL 31 N 1.11 0.92 -0.67 3.16 2.07 -0.85 -1.04 116.25 120.94 2k0f h VAL 31 Ca 0.29 -0.38 0.14 0.00 0.82 0.00 0.00 66.70 67.56 2k0f h VAL 31 Cb -0.01 1.16 -0.13 0.00 -1.52 0.00 0.00 31.29 30.79 2k0f h VAL 31 CO -0.05 0.09 -0.13 0.24 0.02 0.00 0.00 177.57 177.74 2k0f h MET 32 N -0.40 0.02 0.00 1.57 2.86 -1.18 -2.74 114.93 115.05 2k0f h MET 32 Ca -0.02 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 2k0f h MET 32 Cb 0.32 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2k0f h MET 32 CO 0.04 0.01 -0.55 -0.09 1.06 0.00 0.00 176.91 177.38 2k0f h ARG 33 N 0.02 0.00 -0.15 1.72 2.43 -0.83 0.18 114.38 117.75 2k0f h ARG 33 Ca 0.33 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2k0f h ARG 33 Cb 0.52 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2k0f h ARG 33 CO -0.67 0.55 -0.09 1.03 -1.51 0.00 0.00 179.97 179.28 2k0f h SER 34 N 0.00 0.34 -0.16 -3.80 0.87 -1.07 -3.28 113.55 106.45 2k0f h SER 34 Ca -0.01 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2k0f h SER 34 Cb 1.24 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2k0f h SER 34 CO 0.07 0.70 0.10 -0.07 -0.53 0.00 0.00 176.83 177.10 2k0f h LEU 35 N -0.01 0.19 0.00 2.23 3.38 -1.35 -3.47 115.31 116.28 2k0f h LEU 35 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 35 Cb 0.58 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2k0f h LEU 35 CO 0.03 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2k0f n GLY 36 N -1.03 0.00 3.15 0.83 0.00 0.47 -5.11 105.19 103.51 2k0f n GLY 36 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 0.41 -0.41 1.61 -1.52 -0.19 -4.95 119.66 114.61 2k0f s GLN 37 Ca 0.00 0.08 0.02 0.00 -1.95 0.00 0.00 55.36 53.51 2k0f s GLN 37 Cb 0.00 0.19 0.14 0.00 -0.22 0.00 0.00 33.01 33.12 2k0f s GLN 37 CO 0.00 -0.08 0.25 -0.80 -0.25 0.00 0.00 175.29 174.41 2k0f s ASN 38 N -0.48 3.10 1.00 5.90 0.01 -1.26 -2.47 114.94 120.73 2k0f s ASN 38 Ca -0.06 -2.53 0.00 0.00 -0.71 0.00 0.00 52.86 49.56 2k0f s ASN 38 Cb -0.04 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.93 2k0f s ASN 38 CO 0.01 -0.27 0.00 -2.65 -1.51 0.00 0.00 177.10 172.69 2k0f n PRO 39 N 3.62 -0.46 -2.70 -0.60 -0.02 -1.26 -5.08 135.00 128.50 2k0f n PRO 39 Ca 0.13 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.38 2k0f n PRO 39 Cb 0.37 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.88 2k0f n PRO 39 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2k0f s THR 40 N -1.00 3.29 0.17 3.45 -1.32 -1.26 -4.94 115.64 114.03 2k0f s THR 40 Ca 0.00 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 2k0f s THR 40 Cb 0.00 -3.25 -0.13 0.00 -1.51 0.00 0.00 72.50 67.62 2k0f s THR 40 CO 0.00 -0.19 1.41 -0.08 -2.21 0.00 0.00 174.62 173.55 2k0f h GLU 41 N 0.11 0.30 -0.28 7.08 4.81 -1.98 -1.31 114.58 123.31 2k0f h GLU 41 Ca -0.44 -0.28 0.08 0.00 -0.13 0.00 0.00 59.36 58.59 2k0f h GLU 41 Cb 1.28 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 2k0f h GLU 41 CO 0.56 0.96 0.29 0.00 -0.73 0.00 0.00 179.01 180.09 2k0f h ALA 42 N 0.95 1.95 0.00 2.92 0.00 -1.98 0.38 119.26 123.49 2k0f h ALA 42 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k0f h ALA 42 Cb 1.40 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2k0f h ALA 42 CO 0.13 -0.44 -0.15 0.93 0.00 0.00 0.00 179.25 179.73 2k0f h GLU 43 N 0.00 0.00 -1.04 0.00 5.08 -1.74 -3.12 114.58 113.75 2k0f h GLU 43 Ca 0.13 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.76 2k0f h GLU 43 Cb 0.72 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.87 2k0f h GLU 43 CO -0.00 0.72 0.66 -0.07 -1.00 0.00 0.00 179.01 179.32 2k0f h LEU 44 N -1.00 0.49 0.00 1.33 3.38 -1.03 0.13 115.31 118.62 2k0f h LEU 44 Ca -0.03 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2k0f h LEU 44 Cb 0.77 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2k0f h LEU 44 CO -0.02 0.09 -0.53 -0.61 0.09 0.00 0.00 178.44 177.46 2k0f h GLN 45 N 0.43 0.00 -0.44 1.13 5.75 -1.07 -2.98 115.11 117.92 2k0f h GLN 45 Ca 0.61 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 59.02 2k0f h GLN 45 Cb 1.46 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.00 2k0f h GLN 45 CO -0.33 0.31 -0.05 0.22 -2.65 0.00 0.00 178.83 176.33 2k0f h ASP 46 N 0.00 0.81 -0.40 -0.69 3.58 -0.94 0.47 116.42 119.24 2k0f h ASP 46 Ca -0.02 -0.33 0.05 0.00 0.42 0.00 0.00 57.03 57.14 2k0f h ASP 46 Cb 1.28 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 42.07 2k0f h ASP 46 CO 0.04 0.95 0.14 0.24 -2.88 0.00 0.00 179.24 177.74 2k0f h MET 47 N 0.65 0.30 -0.33 0.28 2.86 -1.26 -3.04 114.93 114.39 2k0f h MET 47 Ca 0.12 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 2k0f h MET 47 Cb 0.56 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2k0f h MET 47 CO 0.03 0.20 -0.22 0.82 1.06 0.00 0.00 176.91 178.80 2k0f h ILE 48 N 0.31 1.29 0.00 -1.22 1.08 -1.36 -3.36 117.51 114.25 2k0f h ILE 48 Ca 0.19 -1.35 -0.02 0.00 -0.39 0.00 0.00 64.86 63.28 2k0f h ILE 48 Cb 0.17 1.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 2k0f h ILE 48 CO -0.19 0.44 -0.09 -1.13 -0.69 0.00 0.00 178.15 176.50 2k0f h ASN 49 N 0.49 0.00 -0.36 1.72 -1.24 -0.79 0.77 115.58 116.16 2k0f h ASN 49 Ca 0.07 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.15 2k0f h ASN 49 Cb 0.77 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.74 2k0f h ASN 49 CO 0.06 0.09 -0.12 -0.33 -1.29 0.00 0.00 177.43 175.83 2k0f h GLU 50 N 0.00 -0.04 -0.00 6.67 5.08 -1.69 -3.24 114.58 121.35 2k0f h GLU 50 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 50 Cb 0.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k0f h GLU 50 CO 0.01 -0.03 -0.61 1.33 -1.00 0.00 0.00 179.01 178.72 2k0f n VAL 51 N -5.31 0.00 -2.56 3.13 0.24 0.20 -4.81 118.33 109.22 2k0f n VAL 51 Ca 0.01 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.34 61.81 2k0f n VAL 51 Cb 0.23 0.73 -0.02 0.00 -1.47 0.00 0.00 33.84 33.30 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 -2.79 6.93 -0.14 -1.34 -1.08 -0.79 -4.89 116.67 112.57 2k0f s ASP 52 Ca 0.14 1.31 -0.11 0.00 -0.52 0.00 0.00 52.55 53.38 2k0f s ASP 52 Cb 0.17 -2.54 -0.07 0.00 -1.46 0.00 0.00 42.92 39.02 2k0f s ASP 52 CO 0.69 -0.83 0.01 0.00 0.52 0.00 0.00 175.17 175.56 2k0f h ALA 53 N 8.15 0.05 -0.00 3.66 0.00 -1.87 -3.40 119.26 125.85 2k0f h ALA 53 Ca -0.22 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 53 Cb 1.08 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2k0f h ALA 53 CO 1.01 0.37 -0.45 -0.40 0.00 0.00 0.00 179.25 179.77 2k0f n ASP 54 N -4.63 0.77 -0.99 0.00 5.75 -1.26 -4.94 116.55 111.26 2k0f n ASP 54 Ca -0.10 -0.57 -0.02 0.00 -0.01 0.00 0.00 54.79 54.09 2k0f n ASP 54 Cb 0.29 0.27 0.01 0.00 -1.03 0.00 0.00 41.12 40.66 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 55 N 1.44 0.64 0.04 6.12 0.00 -1.26 -4.96 105.19 107.21 2k0f n GLY 55 Ca 0.08 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 0.20 0.20 0.00 1.61 6.94 -1.26 -4.99 115.26 117.95 2k0f n ASN 56 Ca -0.01 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 2k0f n ASN 56 Cb 0.51 1.57 0.00 0.00 -2.36 0.00 0.00 39.78 39.50 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 1.28 1.27 3.20 4.83 0.00 -1.26 -5.11 105.19 109.40 2k0f n GLY 57 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 0.11 -0.31 2.61 -4.23 -1.26 -4.41 115.64 106.15 2k0f s THR 58 Ca 0.00 -0.91 -0.21 0.00 -1.18 0.00 0.00 61.69 59.39 2k0f s THR 58 Cb 0.00 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 72.83 2k0f s THR 58 CO 0.00 -0.50 0.68 -0.51 -0.54 0.00 0.00 174.62 173.75 2k0f s ILE 59 N -2.84 4.88 0.48 2.99 2.07 -1.15 -4.60 121.20 123.03 2k0f s ILE 59 Ca -0.03 0.94 0.02 0.00 -1.41 0.00 0.00 60.65 60.17 2k0f s ILE 59 Cb 0.00 -4.06 0.09 0.00 0.13 0.00 0.00 42.46 38.62 2k0f s ILE 59 CO -0.05 -0.20 0.66 0.47 -1.91 0.00 0.00 174.94 173.90 2k0f n ASP 60 N 6.01 1.13 0.12 4.50 8.00 -1.26 -1.37 116.55 133.68 2k0f n ASP 60 Ca 0.01 -1.89 -0.12 0.00 0.71 0.00 0.00 54.79 53.49 2k0f n ASP 60 Cb 0.49 -0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 41.11 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2k0f h PHE 61 N -0.34 -0.33 0.00 1.24 3.57 -1.72 0.07 116.94 119.44 2k0f h PHE 61 Ca -0.22 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2k0f h PHE 61 Cb 0.86 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2k0f h PHE 61 CO 0.00 0.04 0.00 -1.00 -2.23 0.00 0.00 178.31 175.12 2k0f h PRO 62 N -0.84 0.00 -0.02 6.41 0.13 -1.97 -1.36 132.00 134.34 2k0f h PRO 62 Ca -0.04 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 2k0f h PRO 62 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.65 2k0f h PRO 62 CO 0.06 0.00 -0.53 0.93 -0.23 0.00 0.00 178.00 178.23 2k0f h GLU 63 N 0.00 0.40 -0.70 0.86 5.08 -1.87 -1.54 114.58 116.81 2k0f h GLU 63 Ca 0.00 -0.40 0.07 0.00 -1.00 0.00 0.00 59.36 58.03 2k0f h GLU 63 Cb 0.16 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 2k0f h GLU 63 CO 0.00 1.06 0.39 0.35 -1.00 0.00 0.00 179.01 179.81 2k0f h PHE 64 N -0.11 0.71 0.00 4.33 3.57 -0.81 -1.22 116.94 123.40 2k0f h PHE 64 Ca -0.06 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2k0f h PHE 64 Cb 1.22 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2k0f h PHE 64 CO 0.14 0.32 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.29 2k0f h LEU 65 N 0.70 0.00 -0.56 0.59 3.38 -1.16 -0.44 115.31 117.81 2k0f h LEU 65 Ca 0.32 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.13 2k0f h LEU 65 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k0f h LEU 65 CO -0.20 0.18 -0.62 0.74 0.09 0.00 0.00 178.44 178.63 2k0f h THR 66 N 0.00 1.37 0.15 0.22 2.02 -0.93 -3.21 112.91 112.52 2k0f h THR 66 Ca -0.00 -1.96 -0.01 0.00 0.77 0.00 0.00 66.41 65.21 2k0f h THR 66 Cb 0.51 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2k0f h THR 66 CO 0.02 0.59 -0.07 -0.03 0.37 0.00 0.00 175.52 176.40 2k0f h MET 67 N 0.27 -0.19 -0.06 6.66 1.85 -0.64 -3.13 114.93 119.68 2k0f h MET 67 Ca -0.01 0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 59.00 2k0f h MET 67 Cb 1.15 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.21 2k0f h MET 67 CO 0.10 0.18 -0.41 0.52 -0.40 0.00 0.00 176.91 176.90 2k0f h MET 68 N -0.96 0.13 -0.36 0.39 2.86 -1.27 -3.02 114.93 112.71 2k0f h MET 68 Ca -0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2k0f h MET 68 Cb 0.45 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2k0f h MET 68 CO 0.03 0.52 0.00 0.00 1.06 0.00 0.00 176.91 178.52 2k0f n ALA 69 N -2.47 2.56 -1.76 6.32 0.00 -1.21 -4.91 120.51 119.04 2k0f n ALA 69 Ca -0.02 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 2k0f n ALA 69 Cb 0.46 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -1.68 4.49 -0.27 0.00 3.52 -1.14 -5.02 118.95 118.86 2k0f s ARG 70 Ca 0.13 1.92 -0.13 0.00 -0.13 0.00 0.00 55.73 57.52 2k0f s ARG 70 Cb 0.07 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 2k0f s ARG 70 CO 0.07 0.04 0.27 0.21 -0.81 0.00 0.00 175.30 175.08 2k0f s LYS 71 N -1.65 3.99 0.31 5.12 2.36 -1.26 -5.08 119.74 123.53 2k0f s LYS 71 Ca 0.47 -0.15 0.07 0.00 -2.55 0.00 0.00 55.97 53.81 2k0f s LYS 71 Cb -0.34 -3.64 -0.03 0.00 -1.05 0.00 0.00 37.83 32.77 2k0f s LYS 71 CO 0.44 -0.20 0.25 0.00 1.55 0.00 0.00 175.35 177.39 2k0f s MET 72 N 1.81 2.74 0.74 4.03 0.23 -1.26 -5.13 119.30 122.45 2k0f s MET 72 Ca 0.11 -1.25 -0.03 0.00 -1.03 0.00 0.00 55.69 53.48 2k0f s MET 72 Cb -0.16 -2.47 0.12 0.00 -1.53 0.00 0.00 34.83 30.80 2k0f s MET 72 CO 0.10 0.19 1.02 -1.59 -2.03 0.00 0.00 175.02 172.71 2k0f s LYS 73 N -3.93 1.67 0.51 3.16 -2.85 -1.26 -4.91 119.74 112.12 2k0f s LYS 73 Ca 0.38 -0.88 0.33 0.00 -1.00 0.00 0.00 55.97 54.80 2k0f s LYS 73 Cb -0.06 -2.26 1.38 0.00 -2.06 0.00 0.00 37.83 34.83 2k0f s LYS 73 CO 0.26 -1.49 1.96 -0.44 0.10 0.00 0.00 175.35 175.74 2k0f h ASP 74 N -0.64 0.00 0.00 0.03 3.32 -2.00 -1.47 116.42 115.67 2k0f h ASP 74 Ca -0.39 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 2k0f h ASP 74 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2k0f h ASP 74 CO 0.43 0.00 -0.00 0.71 -1.72 0.00 0.00 179.24 178.66 2k0f h THR 75 N 0.00 1.61 -0.83 0.35 1.35 -1.99 -2.35 112.91 111.05 2k0f h THR 75 Ca 0.00 -2.12 0.21 0.00 -0.55 0.00 0.00 66.41 63.94 2k0f h THR 75 Cb 0.44 3.00 -0.13 0.00 -1.73 0.00 0.00 68.15 69.73 2k0f h THR 75 CO 0.00 0.53 0.23 0.44 -0.25 0.00 0.00 175.52 176.47 2k0f h ASP 76 N -0.96 0.04 -0.17 5.36 3.32 -1.95 -2.92 116.42 119.15 2k0f h ASP 76 Ca -0.00 0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.27 2k0f h ASP 76 Cb 0.87 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 2k0f h ASP 76 CO 0.00 -0.10 -0.38 -1.28 -1.72 0.00 0.00 179.24 175.76 2k0f h SER 77 N 0.25 -1.21 -0.71 6.45 0.87 -1.32 -2.20 113.55 115.69 2k0f h SER 77 Ca 0.51 0.17 0.04 0.00 -1.23 0.00 0.00 61.79 61.28 2k0f h SER 77 Cb 0.96 0.51 -0.04 0.00 -0.44 0.00 0.00 62.40 63.39 2k0f h SER 77 CO -0.59 -0.40 0.46 -0.08 -0.53 0.00 0.00 176.83 175.69 2k0f h GLU 78 N -0.44 0.79 -0.01 2.24 4.81 -1.36 -1.60 114.58 119.02 2k0f h GLU 78 Ca 0.09 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 78 Cb 0.60 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2k0f h GLU 78 CO -0.41 0.53 -0.02 1.49 -0.73 0.00 0.00 179.01 179.87 2k0f h GLU 79 N 0.82 0.02 -0.51 1.92 4.81 -1.35 -3.29 114.58 117.00 2k0f h GLU 79 Ca 0.29 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2k0f h GLU 79 Cb 0.12 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2k0f h GLU 79 CO -0.09 0.67 0.19 1.49 -0.73 0.00 0.00 179.01 180.54 2k0f h GLU 80 N -0.62 0.77 -0.73 1.92 4.81 -0.99 0.84 114.58 120.58 2k0f h GLU 80 Ca -0.00 -0.15 0.17 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 80 Cb 0.67 -0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.81 2k0f h GLU 80 CO 0.00 0.69 0.04 0.97 -0.73 0.00 0.00 179.01 179.99 2k0f h ILE 81 N 0.68 0.39 0.05 2.32 6.09 -1.47 0.10 117.51 125.67 2k0f h ILE 81 Ca 0.17 -0.05 -0.22 0.00 -1.37 0.00 0.00 64.86 63.39 2k0f h ILE 81 Cb 0.22 0.25 0.02 0.00 0.47 0.00 0.00 36.82 37.77 2k0f h ILE 81 CO -0.01 0.03 -0.89 0.03 -3.07 0.00 0.00 178.15 174.23 2k0f h ARG 82 N 0.14 0.52 -0.33 2.19 3.08 -1.39 -1.77 114.38 116.81 2k0f h ARG 82 Ca 0.40 -0.62 0.07 0.00 0.07 0.00 0.00 59.98 59.90 2k0f h ARG 82 Cb 0.71 0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.88 2k0f h ARG 82 CO -0.61 1.24 -0.12 1.49 -1.07 0.00 0.00 179.97 180.90 2k0f h GLU 83 N 0.08 -0.05 -0.46 0.04 4.57 -0.91 -1.81 114.58 116.05 2k0f h GLU 83 Ca -0.12 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 2k0f h GLU 83 Cb 1.59 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.17 2k0f h GLU 83 CO 0.17 -0.03 0.05 0.00 -1.18 0.00 0.00 179.01 178.02 2k0f h ALA 84 N 1.25 1.24 -0.67 2.92 0.00 -0.83 -2.74 119.26 120.43 2k0f h ALA 84 Ca 0.17 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2k0f h ALA 84 Cb 0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2k0f h ALA 84 CO -0.37 0.52 0.40 0.35 0.00 0.00 0.00 179.25 180.15 2k0f h PHE 85 N 0.68 0.75 -0.34 0.00 3.04 -0.95 -2.64 116.94 117.48 2k0f h PHE 85 Ca 0.14 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.12 2k0f h PHE 85 Cb 0.35 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.62 2k0f h PHE 85 CO 0.02 0.40 0.00 2.89 -2.02 0.00 0.00 178.31 179.60 2k0f n ARG 86 N -4.72 1.80 0.05 1.11 1.85 -0.71 -1.09 116.66 114.95 2k0f n ARG 86 Ca 0.07 -1.24 -0.11 0.00 -1.00 0.00 0.00 57.85 55.57 2k0f n ARG 86 Cb 0.12 -1.27 -0.08 0.00 -1.05 0.00 0.00 32.46 30.17 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f h VAL 87 N 2.03 0.91 0.38 8.89 2.07 -1.47 -3.39 116.25 125.67 2k0f h VAL 87 Ca 0.00 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 2k0f h VAL 87 Cb 0.46 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2k0f h VAL 87 CO 0.00 0.23 -0.18 -0.26 0.02 0.00 0.00 177.57 177.38 2k0f h PHE 88 N -0.82 -0.47 -2.31 1.57 0.04 -1.41 -3.42 116.94 110.12 2k0f h PHE 88 Ca -0.02 -0.01 -0.58 0.00 2.80 0.00 0.00 57.97 60.16 2k0f h PHE 88 Cb 0.53 0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2k0f h PHE 88 CO 0.09 -0.20 1.38 0.34 -0.60 0.00 0.00 178.31 179.31 2k0f s ASP 89 N -5.01 5.71 -0.10 2.17 2.15 -0.25 -4.69 116.67 116.65 2k0f s ASP 89 Ca -0.10 1.69 -0.02 0.00 0.43 0.00 0.00 52.55 54.56 2k0f s ASP 89 Cb 0.01 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.11 2k0f s ASP 89 CO 0.33 -1.79 -0.03 0.50 -0.17 0.00 0.00 175.17 174.01 2k0f h LYS 90 N 13.83 0.00 -0.73 4.34 1.63 -1.85 -3.36 116.57 130.43 2k0f h LYS 90 Ca -0.38 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.45 2k0f h LYS 90 Cb 1.21 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.79 2k0f h LYS 90 CO 0.99 0.00 0.46 0.38 -3.45 0.00 0.00 179.45 177.82 2k0f h ASP 91 N -0.95 0.74 0.00 4.20 3.04 -1.95 -3.47 116.42 118.03 2k0f h ASP 91 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 91 Cb 0.08 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.22 2k0f h ASP 91 CO 0.00 0.51 0.00 0.61 -2.04 0.00 0.00 179.24 178.32 2k0f n GLY 92 N -1.30 1.34 0.22 7.15 0.00 -1.26 -5.03 105.19 106.31 2k0f n GLY 92 Ca 0.08 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 0.68 0.00 1.61 7.08 -1.91 -3.48 115.58 119.56 2k0f h ASN 93 Ca 0.00 -0.37 0.00 0.00 -3.08 0.00 0.00 56.30 52.85 2k0f h ASN 93 Cb 0.27 -0.20 0.00 0.00 -2.08 0.00 0.00 38.32 36.31 2k0f h ASN 93 CO 0.00 1.11 0.00 0.61 -2.08 0.00 0.00 177.43 177.07 2k0f n GLY 94 N 0.31 0.21 3.31 9.14 0.00 -1.26 -5.14 105.19 111.76 2k0f n GLY 94 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -1.03 -0.43 -0.21 1.61 2.02 -1.26 -4.40 117.35 113.65 2k0f s TYR 95 Ca 0.00 1.01 -0.08 0.00 -0.37 0.00 0.00 57.07 57.63 2k0f s TYR 95 Cb 0.00 0.16 -0.04 0.00 -0.40 0.00 0.00 41.96 41.68 2k0f s TYR 95 CO 0.00 -0.26 0.08 0.42 -1.57 0.00 0.00 175.55 174.22 2k0f s ILE 96 N -0.04 4.67 0.41 2.71 1.01 -0.42 -4.72 121.20 124.83 2k0f s ILE 96 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.60 2k0f s ILE 96 Cb -0.03 -3.14 0.04 0.00 0.01 0.00 0.00 42.46 39.34 2k0f s ILE 96 CO 0.01 0.40 0.34 -0.24 0.00 0.00 0.00 174.94 175.46 2k0f n SER 97 N 4.13 2.22 -0.19 3.58 2.88 -1.26 -2.04 113.62 122.94 2k0f n SER 97 Ca -0.16 -2.38 0.00 0.00 -1.33 0.00 0.00 58.87 55.00 2k0f n SER 97 Cb 0.52 -0.06 0.25 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.64 1.44 0.04 -1.46 0.00 -1.98 -2.66 119.26 115.28 2k0f h ALA 98 Ca -0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 98 Cb 0.95 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k0f h ALA 98 CO 0.39 0.49 -0.02 0.00 0.00 0.00 0.00 179.25 180.11 2k0f h ALA 99 N 1.52 -0.06 -0.49 0.00 0.00 -1.98 -2.79 119.26 115.46 2k0f h ALA 99 Ca 0.25 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 99 Cb -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2k0f h ALA 99 CO -0.05 -0.17 0.33 0.93 0.00 0.00 0.00 179.25 180.29 2k0f h GLU 100 N -0.79 0.48 0.31 0.00 5.08 -1.84 0.38 114.58 118.20 2k0f h GLU 100 Ca -0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 100 Cb 0.66 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 100 CO 0.01 0.32 -0.15 1.25 -1.00 0.00 0.00 179.01 179.44 2k0f h LEU 101 N 0.49 -0.35 -1.07 1.33 5.85 -1.56 -3.05 115.31 116.94 2k0f h LEU 101 Ca 0.21 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2k0f h LEU 101 Cb 0.20 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2k0f h LEU 101 CO -0.05 0.12 -0.26 -0.09 -0.34 0.00 0.00 178.44 177.82 2k0f h ARG 102 N -1.04 0.34 0.41 1.25 2.43 -1.11 -0.24 114.38 116.43 2k0f h ARG 102 Ca -0.04 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 2k0f h ARG 102 Cb 0.44 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2k0f h ARG 102 CO 0.07 0.58 -0.36 0.45 -1.51 0.00 0.00 179.97 179.20 2k0f h HIS 103 N 0.31 -0.97 -0.09 2.20 3.86 -0.40 -2.04 115.15 118.02 2k0f h HIS 103 Ca 0.05 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2k0f h HIS 103 Cb 0.62 0.37 -0.00 0.00 1.06 0.00 0.00 27.41 29.46 2k0f h HIS 103 CO 0.01 -0.52 -0.04 0.28 0.86 0.00 0.00 177.93 178.53 2k0f h VAL 104 N -0.78 1.32 -0.72 2.45 2.07 -1.30 0.13 116.25 119.43 2k0f h VAL 104 Ca -0.04 -1.05 0.16 0.00 0.82 0.00 0.00 66.70 66.59 2k0f h VAL 104 Cb 0.68 1.83 -0.13 0.00 -1.52 0.00 0.00 31.29 32.15 2k0f h VAL 104 CO -0.03 0.29 -0.04 0.24 0.02 0.00 0.00 177.57 178.05 2k0f h MET 105 N -0.17 0.07 -0.80 1.57 2.07 -1.16 -0.19 114.93 116.32 2k0f h MET 105 Ca 0.02 -0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.61 2k0f h MET 105 Cb 0.49 -0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.16 2k0f h MET 105 CO 0.01 0.05 0.35 1.15 1.07 0.00 0.00 176.91 179.54 2k0f h THR 106 N 0.07 1.26 -0.25 2.22 2.02 -0.58 0.20 112.91 117.85 2k0f h THR 106 Ca 0.38 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 2k0f h THR 106 Cb 0.64 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2k0f h THR 106 CO -0.66 0.32 -0.02 0.78 0.37 0.00 0.00 175.52 176.31 2k0f h ASN 107 N 1.16 0.45 0.30 4.18 -0.26 -0.44 -3.28 115.58 117.69 2k0f h ASN 107 Ca 0.27 -0.33 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 2k0f h ASN 107 Cb 0.17 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 2k0f h ASN 107 CO -0.03 0.67 -0.14 -0.07 -1.06 0.00 0.00 177.43 176.80 2k0f h LEU 108 N 0.21 -0.34 0.00 1.61 3.38 -0.86 -3.47 115.31 115.85 2k0f h LEU 108 Ca 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k0f h LEU 108 Cb 0.46 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2k0f h LEU 108 CO 0.02 -0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.08 2k0f n GLY 109 N -0.71 0.00 3.52 0.83 0.00 -0.08 -4.79 105.19 103.96 2k0f n GLY 109 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 3.75 -0.24 1.61 2.56 0.52 -4.98 118.70 121.92 2k0f s GLU 110 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 54.97 54.31 2k0f s GLU 110 Cb 0.00 -3.07 -0.03 0.00 2.00 0.00 0.00 34.13 33.03 2k0f s GLU 110 CO 0.00 0.16 0.56 0.15 -0.56 0.00 0.00 175.26 175.57 2k0f s LYS 111 N 0.61 4.13 0.26 4.30 3.01 -1.26 -2.89 119.74 127.90 2k0f s LYS 111 Ca 0.00 0.44 0.07 0.00 -1.01 0.00 0.00 55.97 55.47 2k0f s LYS 111 Cb -0.14 -3.62 -0.04 0.00 -1.01 0.00 0.00 37.83 33.03 2k0f s LYS 111 CO 0.02 -0.30 0.19 -0.51 0.51 0.00 0.00 175.35 175.26 2k0f s LEU 112 N 2.14 3.76 0.41 3.17 1.43 -1.26 -5.11 118.68 123.22 2k0f s LEU 112 Ca 0.24 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2k0f s LEU 112 Cb -0.16 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 2k0f s LEU 112 CO 0.09 -0.06 0.61 0.42 0.23 0.00 0.00 176.35 177.65 2k0f s THR 113 N -2.16 4.35 0.38 5.49 -4.23 -1.26 -5.01 115.64 113.20 2k0f s THR 113 Ca 0.33 -0.53 0.15 0.00 -1.18 0.00 0.00 61.69 60.46 2k0f s THR 113 Cb -0.08 -3.59 0.36 0.00 1.34 0.00 0.00 72.50 70.54 2k0f s THR 113 CO 0.25 -0.39 1.78 0.44 -0.54 0.00 0.00 174.62 176.16 2k0f h ASP 114 N 0.55 0.53 -0.73 3.99 5.19 -2.01 -1.27 116.42 122.67 2k0f h ASP 114 Ca -0.47 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 55.97 2k0f h ASP 114 Cb 1.24 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 2k0f h ASP 114 CO 0.58 0.14 0.26 -0.08 -3.12 0.00 0.00 179.24 177.03 2k0f h GLU 115 N 0.49 1.11 0.00 3.56 4.81 -2.00 -3.22 114.58 119.33 2k0f h GLU 115 Ca 0.57 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 59.46 2k0f h GLU 115 Cb 1.30 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2k0f h GLU 115 CO -0.31 0.93 -0.59 1.49 -0.73 0.00 0.00 179.01 179.80 2k0f h GLU 116 N 1.06 0.00 0.09 1.92 4.81 -1.63 0.11 114.58 120.94 2k0f h GLU 116 Ca 0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2k0f h GLU 116 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2k0f h GLU 116 CO -0.01 0.59 -0.04 0.28 -0.73 0.00 0.00 179.01 179.09 2k0f h VAL 117 N 0.00 1.06 -0.55 0.32 2.07 -1.50 -0.91 116.25 116.74 2k0f h VAL 117 Ca -0.01 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 67.07 2k0f h VAL 117 Cb 1.37 1.42 -0.10 0.00 -1.52 0.00 0.00 31.29 32.46 2k0f h VAL 117 CO 0.08 0.14 -0.12 -0.78 0.02 0.00 0.00 177.57 176.91 2k0f h ASP 118 N -0.37 -0.47 0.48 0.57 3.58 -1.56 -1.19 116.42 117.46 2k0f h ASP 118 Ca -0.01 0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 2k0f h ASP 118 Cb 0.31 0.33 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2k0f h ASP 118 CO 0.02 -0.17 -0.30 -0.08 -2.88 0.00 0.00 179.24 175.83 2k0f h GLU 119 N 0.02 0.00 0.10 0.28 4.57 -0.56 -1.33 114.58 117.66 2k0f h GLU 119 Ca 0.27 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.31 2k0f h GLU 119 Cb 0.41 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2k0f h GLU 119 CO -0.55 0.30 -0.60 0.52 -1.18 0.00 0.00 179.01 177.50 2k0f h MET 120 N 0.00 0.21 -0.78 1.92 2.86 -0.82 -2.70 114.93 115.62 2k0f h MET 120 Ca -0.00 -0.36 0.14 0.00 -2.06 0.00 0.00 59.70 57.41 2k0f h MET 120 Cb 0.63 0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.33 2k0f h MET 120 CO 0.04 1.17 0.35 0.82 1.06 0.00 0.00 176.91 180.35 2k0f h ILE 121 N -0.55 0.70 -0.42 -1.22 2.04 -1.24 -0.14 117.51 116.68 2k0f h ILE 121 Ca -0.11 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.62 2k0f h ILE 121 Cb 1.46 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2k0f h ILE 121 CO 0.11 0.09 0.19 -0.09 0.00 0.00 0.00 178.15 178.45 2k0f h ARG 122 N 0.51 0.37 0.00 2.37 2.43 -1.30 0.14 114.38 118.90 2k0f h ARG 122 Ca 0.42 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2k0f h ARG 122 Cb 0.61 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2k0f h ARG 122 CO -0.38 0.25 0.00 1.05 -1.51 0.00 0.00 179.97 179.38 2k0f h GLU 123 N 0.38 0.00 -0.47 0.20 4.11 -1.09 -2.50 114.58 115.21 2k0f h GLU 123 Ca 0.18 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.50 2k0f h GLU 123 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 123 CO -0.15 0.00 -0.14 0.00 0.07 0.00 0.00 179.01 178.79 2k0f h ALA 124 N 2.10 0.65 -2.04 1.06 0.00 -0.76 -3.45 119.26 116.83 2k0f h ALA 124 Ca 0.00 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 53.98 2k0f h ALA 124 Cb 0.69 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2k0f h ALA 124 CO 0.00 0.57 0.86 0.34 0.00 0.00 0.00 179.25 181.02 2k0f s ASP 125 N -6.57 6.95 -0.21 0.00 2.15 0.46 -4.78 116.67 114.67 2k0f s ASP 125 Ca -0.12 1.32 -0.12 0.00 0.43 0.00 0.00 52.55 54.06 2k0f s ASP 125 Cb 0.12 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 40.11 2k0f s ASP 125 CO 0.85 -0.82 -0.29 -0.38 -0.17 0.00 0.00 175.17 174.36 2k0f n ILE 126 N 5.64 1.28 0.03 4.11 5.41 -1.26 -4.81 119.36 129.75 2k0f n ILE 126 Ca 0.13 -0.22 -0.01 0.00 1.00 0.00 0.00 62.75 63.65 2k0f n ILE 126 Cb 0.46 -1.88 -0.01 0.00 -0.71 0.00 0.00 39.64 37.51 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 -0.81 -0.06 0.00 4.38 3.04 -1.96 -3.48 116.42 117.53 2k0f h ASP 127 Ca -0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 2k0f h ASP 127 Cb 1.37 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.68 2k0f h ASP 127 CO -0.28 -0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.48 2k0f n GLY 128 N -1.03 -0.31 0.12 7.15 0.00 -1.26 -5.05 105.19 104.80 2k0f n GLY 128 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.97 -3.48 116.42 115.62 2k0f h ASP 129 Ca 0.00 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 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 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 2k0f n GLY 130 N 1.19 0.90 3.62 7.15 0.00 -1.26 -5.05 105.19 111.75 2k0f n GLY 130 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.50 3.94 -0.39 1.61 -0.21 -1.26 -4.93 119.66 117.91 2k0f s GLN 131 Ca 0.00 -0.36 -0.25 0.00 0.02 0.00 0.00 55.36 54.77 2k0f s GLN 131 Cb 0.00 -3.18 0.02 0.00 1.00 0.00 0.00 33.01 30.85 2k0f s GLN 131 CO 0.00 0.28 0.88 0.08 -2.12 0.00 0.00 175.29 174.41 2k0f s VAL 132 N 0.34 4.60 0.23 1.09 1.01 -0.87 -4.89 120.40 121.91 2k0f s VAL 132 Ca 0.02 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.98 2k0f s VAL 132 Cb -0.12 -4.33 0.04 0.00 0.00 0.00 0.00 36.38 31.97 2k0f s VAL 132 CO 0.00 -0.60 0.32 -0.46 0.00 0.00 0.00 175.10 174.37 2k0f n ASN 133 N 6.78 0.55 0.10 3.32 6.94 -1.26 -1.30 115.26 130.39 2k0f n ASN 133 Ca 0.06 -1.44 -0.03 0.00 -0.02 0.00 0.00 54.58 53.15 2k0f n ASN 133 Cb 0.48 -0.20 0.19 0.00 -2.36 0.00 0.00 39.78 37.90 2k0f n ASN 133 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 2k0f h TYR 134 N -0.30 0.26 -0.05 -2.53 -1.99 -1.96 -2.55 116.97 107.85 2k0f h TYR 134 Ca -0.11 -0.08 -0.10 0.00 2.00 0.00 0.00 58.73 60.45 2k0f h TYR 134 Cb 0.42 -0.05 0.01 0.00 2.00 0.00 0.00 36.73 39.10 2k0f h TYR 134 CO 0.00 0.66 -0.34 0.93 -0.00 0.00 0.00 178.16 179.41 2k0f h GLU 135 N 0.17 0.32 0.00 4.88 4.39 -1.97 -2.59 114.58 119.79 2k0f h GLU 135 Ca 0.01 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2k0f h GLU 135 Cb 0.92 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2k0f h GLU 135 CO 0.07 0.93 0.00 0.39 -1.16 0.00 0.00 179.01 179.25 2k0f n GLU 136 N -4.41 0.09 -0.07 2.33 1.02 -1.13 -2.65 120.64 115.81 2k0f n GLU 136 Ca -0.09 0.37 -0.06 0.00 -0.02 0.00 0.00 57.16 57.37 2k0f n GLU 136 Cb 0.52 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 2k0f n GLU 136 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k0f n PHE 137 N -1.85 0.35 0.09 -0.32 7.35 -0.97 -3.88 117.46 118.24 2k0f n PHE 137 Ca 0.02 0.15 0.11 0.00 -0.76 0.00 0.00 57.45 56.98 2k0f n PHE 137 Cb 0.17 -0.54 0.60 0.00 0.35 0.00 0.00 39.48 40.06 2k0f n PHE 137 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 2k0f h VAL 138 N -0.83 0.92 0.05 -2.13 3.04 -1.42 0.08 116.25 115.96 2k0f h VAL 138 Ca 0.00 -0.05 -0.23 0.00 -1.01 0.00 0.00 66.70 65.41 2k0f h VAL 138 Cb 0.64 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 2k0f h VAL 138 CO 0.00 0.03 -1.04 1.56 -1.01 0.00 0.00 177.57 177.11 2k0f h GLN 139 N 0.15 0.21 -0.01 4.17 7.50 -1.73 -3.38 115.11 122.02 2k0f h GLN 139 Ca 0.14 -0.29 -0.07 0.00 0.50 0.00 0.00 58.65 58.93 2k0f h GLN 139 Cb 0.36 0.10 0.01 0.00 0.05 0.00 0.00 27.48 28.00 2k0f h GLN 139 CO -0.02 1.07 -0.26 1.98 -1.50 0.00 0.00 178.83 180.11 2k0f h MET 140 N 0.09 0.19 0.00 1.46 4.05 -1.11 -3.28 114.93 116.32 2k0f h MET 140 Ca -0.07 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2k0f h MET 140 Cb 1.73 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.58 2k0f h MET 140 CO 0.16 0.92 0.00 -1.33 0.23 0.00 0.00 176.91 176.89 2k0f n MET 141 N -4.50 0.24 0.00 0.39 2.81 -0.85 -5.11 117.12 110.11 2k0f n MET 141 Ca -0.10 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.88 2k0f n MET 141 Cb 0.50 -1.12 0.07 0.00 -0.71 0.00 0.00 33.22 31.96 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89