#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f n GLU 2 N 0.00 -0.24 -0.31 -2.82 4.71 -1.26 -1.01 120.64 119.71 2k0f n GLU 2 Ca 0.00 1.23 0.19 0.00 -0.01 0.00 0.00 57.16 58.56 2k0f n GLU 2 Cb 0.00 -1.81 0.45 0.00 -1.01 0.00 0.00 31.44 29.06 2k0f n GLU 2 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2k0f h GLU 3 N 0.00 0.50 0.11 3.49 5.08 -2.05 -1.76 114.58 119.94 2k0f h GLU 3 Ca 0.23 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 3 Cb 0.43 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.59 2k0f h GLU 3 CO -0.78 0.33 -0.66 0.37 -1.00 0.00 0.00 179.01 177.27 2k0f h GLN 4 N 0.51 0.26 -0.36 2.33 4.15 -1.50 -2.14 115.11 118.37 2k0f h GLN 4 Ca 0.56 -0.42 -0.09 0.00 0.77 0.00 0.00 58.65 59.47 2k0f h GLN 4 Cb 1.23 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 29.06 2k0f h GLN 4 CO -0.30 1.19 -0.13 0.82 -1.93 0.00 0.00 178.83 178.48 2k0f h ILE 5 N -0.44 1.25 -0.88 2.39 2.04 -1.07 -1.95 117.51 118.85 2k0f h ILE 5 Ca -0.11 -1.12 0.07 0.00 1.00 0.00 0.00 64.86 64.69 2k0f h ILE 5 Cb 1.50 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 38.63 2k0f h ILE 5 CO 0.13 0.38 0.55 0.00 0.00 0.00 0.00 178.15 179.20 2k0f h ALA 6 N 1.28 1.22 0.35 1.87 0.00 -1.41 0.46 119.26 123.02 2k0f h ALA 6 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k0f h ALA 6 Cb 0.56 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2k0f h ALA 6 CO 0.04 0.28 -0.51 1.49 0.00 0.00 0.00 179.25 180.55 2k0f h GLU 7 N 0.99 -0.87 -0.31 0.00 4.81 -0.66 -2.25 114.58 116.29 2k0f h GLU 7 Ca 0.39 0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.64 2k0f h GLU 7 Cb 0.20 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 7 CO -0.18 -0.58 0.03 0.74 -0.73 0.00 0.00 179.01 178.29 2k0f h PHE 8 N -0.90 0.57 0.09 0.92 0.04 -1.33 -3.29 116.94 113.04 2k0f h PHE 8 Ca -0.04 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.64 2k0f h PHE 8 Cb 0.82 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.82 2k0f h PHE 8 CO -0.33 0.63 -0.04 -0.22 -0.60 0.00 0.00 178.31 177.74 2k0f h LYS 9 N 0.34 -0.12 -0.61 1.51 3.64 -0.85 -1.23 116.57 119.25 2k0f h LYS 9 Ca 0.09 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.60 2k0f h LYS 9 Cb 0.38 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.14 2k0f h LYS 9 CO 0.01 0.11 0.12 1.49 -2.27 0.00 0.00 179.45 178.91 2k0f h GLU 10 N -0.33 0.24 -0.29 1.90 4.81 -1.56 -2.43 114.58 116.92 2k0f h GLU 10 Ca -0.01 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 10 Cb 0.28 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2k0f h GLU 10 CO 0.02 0.16 0.03 0.00 -0.73 0.00 0.00 179.01 178.49 2k0f h ALA 11 N 1.49 1.51 -0.07 2.92 0.00 -1.59 0.18 119.26 123.70 2k0f h ALA 11 Ca 0.32 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2k0f h ALA 11 Cb 0.49 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2k0f h ALA 11 CO -0.42 0.36 -0.50 0.35 0.00 0.00 0.00 179.25 179.04 2k0f h PHE 12 N 0.42 -1.48 -0.82 0.00 3.57 -0.75 0.54 116.94 118.42 2k0f h PHE 12 Ca 0.10 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2k0f h PHE 12 Cb 0.24 0.66 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 2k0f h PHE 12 CO 0.01 -0.52 0.35 1.03 -2.23 0.00 0.00 178.31 176.95 2k0f h SER 13 N -0.58 1.10 -0.26 0.41 0.87 -1.19 -2.67 113.55 111.23 2k0f h SER 13 Ca 0.02 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 2k0f h SER 13 Cb 0.65 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2k0f h SER 13 CO -0.37 0.95 0.03 -0.07 -0.53 0.00 0.00 176.83 176.84 2k0f h LEU 14 N 1.18 0.42 -1.10 2.23 4.07 -0.85 -3.05 115.31 118.20 2k0f h LEU 14 Ca 0.28 -0.27 0.09 0.00 0.08 0.00 0.00 57.88 58.06 2k0f h LEU 14 Cb 0.18 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 41.73 2k0f h LEU 14 CO -0.03 0.58 0.61 0.15 -1.08 0.00 0.00 178.44 178.67 2k0f h PHE 15 N 0.24 1.07 -3.53 1.13 3.04 0.09 -3.44 116.94 115.53 2k0f h PHE 15 Ca 0.08 0.03 -0.52 0.00 3.98 0.00 0.00 57.97 61.54 2k0f h PHE 15 Cb 0.35 -0.35 0.02 0.00 2.56 0.00 0.00 35.95 38.53 2k0f h PHE 15 CO 0.02 0.49 0.54 0.34 -2.02 0.00 0.00 178.31 177.69 2k0f s ASP 16 N -5.86 7.12 0.31 0.41 -1.08 -1.01 -4.93 116.67 111.62 2k0f s ASP 16 Ca -0.12 2.22 0.19 0.00 -0.52 0.00 0.00 52.55 54.33 2k0f s ASP 16 Cb 0.21 -2.61 0.14 0.00 -1.46 0.00 0.00 42.92 39.20 2k0f s ASP 16 CO 0.80 -0.33 1.40 0.11 0.52 0.00 0.00 175.17 177.67 2k0f h LYS 17 N 5.05 0.00 0.00 4.34 1.79 -1.85 -3.35 116.57 122.55 2k0f h LYS 17 Ca -0.45 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.01 2k0f h LYS 17 Cb 1.21 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2k0f h LYS 17 CO 0.73 0.23 -0.97 -0.25 -1.08 0.00 0.00 179.45 178.12 2k0f n ASP 18 N -3.08 1.92 0.00 0.86 8.00 -1.26 -5.06 116.55 117.93 2k0f n ASP 18 Ca 0.01 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.90 2k0f n ASP 18 Cb 0.65 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 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 1.48 0.80 0.00 0.44 0.00 -1.26 -5.10 105.19 101.56 2k0f n GLY 19 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 -0.34 1.61 5.75 -1.26 -5.06 116.55 117.25 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 20 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 3.87 0.79 3.06 6.12 0.00 -1.26 -5.07 105.19 112.70 2k0f n GLY 21 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.81 -0.13 2.61 -4.23 -1.26 -4.17 115.64 109.27 2k0f s THR 22 Ca 0.00 -0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 2k0f s THR 22 Cb 0.00 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 73.08 2k0f s THR 22 CO 0.00 0.11 0.25 -0.63 -0.54 0.00 0.00 174.62 173.81 2k0f s ILE 23 N -0.48 5.32 0.46 2.99 1.01 -1.05 -4.95 121.20 124.50 2k0f s ILE 23 Ca 0.02 0.46 0.06 0.00 0.00 0.00 0.00 60.65 61.20 2k0f s ILE 23 Cb -0.05 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2k0f s ILE 23 CO 0.00 0.49 0.25 0.42 0.00 0.00 0.00 174.94 176.10 2k0f s THR 24 N -0.21 2.08 0.46 2.92 -4.23 -1.26 -2.52 115.64 112.88 2k0f s THR 24 Ca 0.16 -1.63 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 2k0f s THR 24 Cb -0.13 -2.70 0.27 0.00 1.34 0.00 0.00 72.50 71.27 2k0f s THR 24 CO 0.05 0.00 2.10 0.71 -0.54 0.00 0.00 174.62 176.94 2k0f h THR 25 N 1.19 1.06 0.10 3.99 1.35 -1.87 -2.49 112.91 116.25 2k0f h THR 25 Ca -0.41 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2k0f h THR 25 Cb 1.27 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2k0f h THR 25 CO 0.65 0.06 -0.05 0.50 -0.25 0.00 0.00 175.52 176.44 2k0f h LYS 26 N 0.32 -0.13 0.00 4.72 3.64 -1.96 -2.03 116.57 121.13 2k0f h LYS 26 Ca 0.09 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 2k0f h LYS 26 Cb -0.04 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2k0f h LYS 26 CO -0.02 -0.06 -0.41 0.93 -2.27 0.00 0.00 179.45 177.61 2k0f h GLU 27 N -0.15 0.00 0.10 1.90 5.08 -1.85 -0.58 114.58 119.07 2k0f h GLU 27 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 27 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k0f h GLU 27 CO 0.02 0.41 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.33 2k0f h LEU 28 N 0.00 -0.11 -1.49 1.33 3.38 -1.54 -3.06 115.31 113.82 2k0f h LEU 28 Ca -0.00 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 2k0f h LEU 28 Cb 0.74 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2k0f h LEU 28 CO 0.05 0.49 -0.16 1.23 0.09 0.00 0.00 178.44 180.14 2k0f h GLY 29 N -0.80 0.14 0.88 0.83 0.00 -0.85 -0.97 103.07 102.31 2k0f h GLY 29 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2k0f h GLY 29 CO 0.02 0.08 -0.14 -0.84 0.00 0.00 0.00 176.54 175.66 2k0f h THR 30 N 0.13 0.74 0.47 4.70 2.02 -1.23 -0.21 112.91 119.54 2k0f h THR 30 Ca 0.03 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2k0f h THR 30 Cb 0.36 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2k0f h THR 30 CO 0.02 0.05 -0.28 0.58 0.37 0.00 0.00 175.52 176.27 2k0f h VAL 31 N -0.51 0.43 -0.92 3.16 2.07 -1.29 -0.23 116.25 118.95 2k0f h VAL 31 Ca -0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.62 2k0f h VAL 31 Cb 0.38 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 2k0f h VAL 31 CO 0.07 0.00 0.59 0.24 0.02 0.00 0.00 177.57 178.48 2k0f h MET 32 N -0.71 0.75 -0.14 1.57 2.86 -1.21 -1.10 114.93 116.94 2k0f h MET 32 Ca -0.06 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 2k0f h MET 32 Cb 0.57 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 2k0f h MET 32 CO 0.06 0.50 -0.14 -0.09 1.06 0.00 0.00 176.91 178.30 2k0f h ARG 33 N 0.77 0.35 0.00 1.72 2.43 -0.49 -1.39 114.38 117.77 2k0f h ARG 33 Ca 0.46 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2k0f h ARG 33 Cb 0.66 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2k0f h ARG 33 CO -0.22 0.73 -0.15 0.77 -1.51 0.00 0.00 179.97 179.58 2k0f h SER 34 N -0.03 0.00 0.30 -3.80 0.02 -0.46 -2.16 113.55 107.43 2k0f h SER 34 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2k0f h SER 34 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2k0f h SER 34 CO 0.03 0.15 -0.14 0.25 -1.14 0.00 0.00 176.83 175.98 2k0f h LEU 35 N 0.00 -0.34 0.00 5.07 5.85 -1.18 -3.45 115.31 121.26 2k0f h LEU 35 Ca -0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2k0f h LEU 35 Cb 0.29 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2k0f h LEU 35 CO 0.02 0.14 0.00 0.61 -0.34 0.00 0.00 178.44 178.87 2k0f n GLY 36 N 0.50 -1.04 3.62 3.75 0.00 -0.72 -5.11 105.19 106.18 2k0f n GLY 36 Ca -0.07 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 2.04 -0.53 1.61 -0.21 -0.60 -4.99 119.66 116.98 2k0f s GLN 37 Ca 0.00 -2.27 0.04 0.00 0.02 0.00 0.00 55.36 53.15 2k0f s GLN 37 Cb 0.00 -0.99 0.14 0.00 1.00 0.00 0.00 33.01 33.16 2k0f s GLN 37 CO 0.00 -0.43 0.31 -0.80 -2.12 0.00 0.00 175.29 172.26 2k0f s ASN 38 N -3.72 3.98 0.67 5.90 0.01 -1.26 -4.33 114.94 116.20 2k0f s ASN 38 Ca 0.17 -3.07 -0.11 0.00 -0.71 0.00 0.00 52.86 49.13 2k0f s ASN 38 Cb 0.02 -1.33 -0.01 0.00 0.41 0.00 0.00 41.25 40.34 2k0f s ASN 38 CO 0.10 -0.21 1.06 -2.16 -1.51 0.00 0.00 177.10 174.38 2k0f s PRO 39 N -0.30 3.15 -0.12 -0.60 0.04 -1.26 -5.07 135.00 130.83 2k0f s PRO 39 Ca 0.20 0.71 -0.02 0.00 0.04 0.00 0.00 61.00 61.94 2k0f s PRO 39 Cb -0.18 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 2k0f s PRO 39 CO -0.05 -0.88 -0.06 0.99 0.04 0.00 0.00 177.00 177.03 2k0f s THR 40 N -3.19 3.68 0.22 1.26 2.01 -1.26 -5.04 115.64 113.32 2k0f s THR 40 Ca 0.57 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.14 2k0f s THR 40 Cb -0.12 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 2k0f s THR 40 CO 0.54 0.53 1.54 -0.08 -0.69 0.00 0.00 174.62 176.46 2k0f h GLU 41 N 6.24 0.32 0.00 4.92 4.81 -1.97 -2.40 114.58 126.49 2k0f h GLU 41 Ca -0.36 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2k0f h GLU 41 Cb 1.19 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2k0f h GLU 41 CO 0.58 0.82 0.00 0.00 -0.73 0.00 0.00 179.01 179.68 2k0f n ALA 42 N -2.48 1.72 -0.03 2.92 0.00 -1.26 -0.52 120.51 120.85 2k0f n ALA 42 Ca -0.03 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 2k0f n ALA 42 Cb 0.62 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.77 2k0f n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k0f n GLU 43 N -1.17 0.69 0.14 0.00 1.02 -0.91 -3.55 120.64 116.86 2k0f n GLU 43 Ca 0.06 0.24 0.02 0.00 -0.02 0.00 0.00 57.16 57.45 2k0f n GLU 43 Cb 0.06 -1.70 0.14 0.00 -0.02 0.00 0.00 31.44 29.91 2k0f n GLU 43 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k0f h LEU 44 N 0.03 0.00 -0.52 -4.62 3.38 -1.17 -1.20 115.31 111.21 2k0f h LEU 44 Ca -0.40 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.43 2k0f h LEU 44 Cb 2.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 2k0f h LEU 44 CO 0.06 0.55 -0.41 -0.61 0.09 0.00 0.00 178.44 178.12 2k0f h GLN 45 N 0.00 0.74 -0.41 1.13 5.75 -0.97 -3.13 115.11 118.22 2k0f h GLN 45 Ca -0.01 -0.39 -0.10 0.00 -0.15 0.00 0.00 58.65 58.00 2k0f h GLN 45 Cb 1.23 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 2k0f h GLN 45 CO 0.07 1.01 -0.14 0.22 -2.65 0.00 0.00 178.83 177.34 2k0f h ASP 46 N 0.60 0.83 -0.91 -0.69 3.58 -1.30 0.26 116.42 118.79 2k0f h ASP 46 Ca 0.05 -0.38 0.25 0.00 0.42 0.00 0.00 57.03 57.37 2k0f h ASP 46 Cb 0.96 -0.23 -0.15 0.00 1.72 0.00 0.00 39.33 41.64 2k0f h ASP 46 CO 0.09 1.02 0.27 0.24 -2.88 0.00 0.00 179.24 177.99 2k0f h MET 47 N 0.63 0.20 0.03 0.28 2.86 -1.34 -2.97 114.93 114.61 2k0f h MET 47 Ca 0.10 -0.01 -0.35 0.00 -2.06 0.00 0.00 59.70 57.38 2k0f h MET 47 Cb 0.68 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 2k0f h MET 47 CO 0.05 0.13 -2.10 -0.89 1.06 0.00 0.00 176.91 175.16 2k0f n ILE 48 N -5.22 1.57 -0.18 -1.22 2.08 -0.55 -4.18 119.36 111.66 2k0f n ILE 48 Ca 0.23 -0.74 0.05 0.00 0.56 0.00 0.00 62.75 62.85 2k0f n ILE 48 Cb 0.74 -1.12 0.33 0.00 -0.75 0.00 0.00 39.64 38.84 2k0f n ILE 48 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2k0f h ASN 49 N 0.02 0.71 -0.26 4.38 4.21 -0.42 -2.54 115.58 121.67 2k0f h ASN 49 Ca -0.44 -0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.09 2k0f h ASN 49 Cb 2.06 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 39.07 2k0f h ASN 49 CO 0.04 0.48 0.07 -0.08 -1.29 0.00 0.00 177.43 176.65 2k0f h GLU 50 N 0.82 0.18 -0.02 0.81 4.81 -1.69 -3.25 114.58 116.23 2k0f h GLU 50 Ca 0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2k0f h GLU 50 Cb 0.12 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 50 CO -0.09 0.12 -0.20 1.33 -0.73 0.00 0.00 179.01 179.44 2k0f n VAL 51 N -5.06 0.00 -2.72 0.32 0.24 -1.12 -4.85 118.33 105.15 2k0f n VAL 51 Ca -0.01 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.34 61.57 2k0f n VAL 51 Cb 0.10 0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 33.40 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 -2.25 6.94 0.26 -1.34 -1.08 -0.98 -4.87 116.67 113.35 2k0f s ASP 52 Ca 0.27 1.11 0.08 0.00 -0.52 0.00 0.00 52.55 53.48 2k0f s ASP 52 Cb 0.19 -2.51 0.32 0.00 -1.46 0.00 0.00 42.92 39.47 2k0f s ASP 52 CO 0.44 -0.73 1.60 0.00 0.52 0.00 0.00 175.17 176.99 2k0f h ALA 53 N 7.83 0.94 0.11 3.66 0.00 -1.89 -2.94 119.26 126.96 2k0f h ALA 53 Ca -0.21 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.01 2k0f h ALA 53 Cb 1.07 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.78 2k0f h ALA 53 CO 0.98 0.74 -0.64 -0.44 0.00 0.00 0.00 179.25 179.88 2k0f h ASP 54 N 0.08 0.37 -1.54 0.00 3.32 -1.95 -3.49 116.42 113.21 2k0f h ASP 54 Ca -0.01 -0.96 0.00 0.00 0.02 0.00 0.00 57.03 56.08 2k0f h ASP 54 Cb 1.08 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2k0f h ASP 54 CO 0.08 1.31 0.00 0.61 -1.72 0.00 0.00 179.24 179.52 2k0f n GLY 55 N 1.64 0.49 0.07 2.75 0.00 -1.11 -5.04 105.19 103.99 2k0f n GLY 55 Ca -0.13 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.65 1.57 0.00 1.61 6.94 -1.26 -5.03 115.26 118.43 2k0f n ASN 56 Ca 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k0f n ASN 56 Cb 0.40 0.84 0.00 0.00 -2.36 0.00 0.00 39.78 38.66 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 2.14 1.33 2.86 4.83 0.00 -1.26 -5.09 105.19 110.00 2k0f n GLY 57 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 0.04 -0.04 2.61 -4.23 -1.26 -4.77 115.64 105.99 2k0f s THR 58 Ca 0.00 0.01 -0.24 0.00 -1.18 0.00 0.00 61.69 60.28 2k0f s THR 58 Cb 0.00 -0.07 -0.04 0.00 1.34 0.00 0.00 72.50 73.74 2k0f s THR 58 CO 0.00 0.03 0.74 -0.51 -0.54 0.00 0.00 174.62 174.34 2k0f s ILE 59 N 0.17 4.98 0.53 2.99 2.07 -1.05 -4.92 121.20 125.98 2k0f s ILE 59 Ca -0.01 1.54 0.05 0.00 -1.41 0.00 0.00 60.65 60.81 2k0f s ILE 59 Cb -0.02 -4.08 0.05 0.00 0.13 0.00 0.00 42.46 38.53 2k0f s ILE 59 CO -0.00 0.26 0.73 -1.81 -1.91 0.00 0.00 174.94 172.21 2k0f s ASP 60 N 0.68 5.26 0.14 4.50 1.01 -1.26 -2.54 116.67 124.45 2k0f s ASP 60 Ca 0.39 -0.35 -0.18 0.00 0.71 0.00 0.00 52.55 53.12 2k0f s ASP 60 Cb -0.18 -0.48 0.01 0.00 1.01 0.00 0.00 42.92 43.28 2k0f s ASP 60 CO 0.20 -1.14 1.72 0.15 0.21 0.00 0.00 175.17 176.31 2k0f h PHE 61 N 0.21 0.03 0.00 4.23 3.57 -1.98 -0.71 116.94 122.29 2k0f h PHE 61 Ca -0.38 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.13 2k0f h PHE 61 Cb 1.29 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 2k0f h PHE 61 CO 0.32 -0.01 -0.01 -1.35 -2.23 0.00 0.00 178.31 175.02 2k0f h PRO 62 N 0.11 0.00 -0.32 6.41 0.11 -1.97 -1.35 132.00 134.99 2k0f h PRO 62 Ca 0.13 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 2k0f h PRO 62 Cb 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2k0f h PRO 62 CO -0.19 0.01 -0.09 0.93 -0.21 0.00 0.00 178.00 178.45 2k0f h GLU 63 N 0.00 0.62 -0.99 1.05 5.08 -1.87 -2.88 114.58 115.59 2k0f h GLU 63 Ca -0.00 -0.25 0.14 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 63 Cb 0.44 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 63 CO 0.00 0.81 0.62 0.35 -1.00 0.00 0.00 179.01 179.79 2k0f h PHE 64 N 0.40 1.11 -0.28 4.33 3.57 -0.25 -2.83 116.94 122.98 2k0f h PHE 64 Ca 0.08 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 2k0f h PHE 64 Cb 0.59 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2k0f h PHE 64 CO 0.05 0.40 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.39 2k0f h LEU 65 N 0.93 0.55 -0.68 0.59 3.38 -1.07 -2.28 115.31 116.74 2k0f h LEU 65 Ca 0.51 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2k0f h LEU 65 Cb 0.58 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2k0f h LEU 65 CO -0.29 0.79 -0.40 0.00 0.09 0.00 0.00 178.44 178.62 2k0f h THR 66 N 0.31 0.85 -0.15 0.22 1.03 -1.60 -1.35 112.91 112.22 2k0f h THR 66 Ca 0.07 -1.70 -0.15 0.00 -0.01 0.00 0.00 66.41 64.63 2k0f h THR 66 Cb 0.55 2.06 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 2k0f h THR 66 CO 0.03 0.39 -0.48 -0.03 -0.01 0.00 0.00 175.52 175.42 2k0f h MET 67 N 0.00 0.58 0.00 0.00 -1.53 -1.46 -3.35 114.93 109.17 2k0f h MET 67 Ca -0.00 -0.43 0.00 0.00 -3.44 0.00 0.00 59.70 55.82 2k0f h MET 67 Cb 1.03 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 32.16 2k0f h MET 67 CO 0.05 1.05 -1.24 -1.33 0.14 0.00 0.00 176.91 175.58 2k0f n MET 68 N -4.22 0.30 -0.54 0.39 2.81 -0.86 -3.75 117.12 111.24 2k0f n MET 68 Ca -0.07 -0.05 0.09 0.00 -1.81 0.00 0.00 57.70 55.86 2k0f n MET 68 Cb 0.58 -1.55 0.32 0.00 -0.71 0.00 0.00 33.22 31.86 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f n ALA 69 N -1.84 2.98 -1.81 3.04 0.00 -0.52 -4.87 120.51 117.50 2k0f n ALA 69 Ca 0.01 -1.39 -0.43 0.00 0.00 0.00 0.00 53.44 51.63 2k0f n ALA 69 Cb 0.44 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.75 3.67 0.39 0.00 3.52 -1.25 -5.01 118.95 118.53 2k0f s ARG 70 Ca 0.46 2.07 -0.15 0.00 -0.13 0.00 0.00 55.73 57.98 2k0f s ARG 70 Cb 0.29 -4.19 -0.09 0.00 -1.56 0.00 0.00 34.95 29.41 2k0f s ARG 70 CO 0.23 -1.47 0.82 0.21 -0.81 0.00 0.00 175.30 174.28 2k0f s LYS 71 N 5.18 3.99 0.34 5.12 2.20 -1.26 -5.10 119.74 130.21 2k0f s LYS 71 Ca 0.86 0.75 0.01 0.00 -0.36 0.00 0.00 55.97 57.23 2k0f s LYS 71 Cb -0.33 -2.34 -0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2k0f s LYS 71 CO 0.35 0.02 0.04 -1.33 -0.36 0.00 0.00 175.35 174.07 2k0f n MET 72 N -0.78 0.97 -2.84 4.03 2.81 -1.26 -5.17 117.12 114.88 2k0f n MET 72 Ca 0.04 -2.60 -0.08 0.00 -1.81 0.00 0.00 57.70 53.25 2k0f n MET 72 Cb 0.54 0.93 -0.03 0.00 -0.71 0.00 0.00 33.22 33.94 2k0f n MET 72 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2k0f n LYS 73 N -0.83 0.38 0.00 0.03 2.85 -1.26 -4.93 118.16 114.39 2k0f n LYS 73 Ca -0.11 -1.23 0.00 0.00 -1.05 0.00 0.00 58.31 55.92 2k0f n LYS 73 Cb 0.45 0.89 0.00 0.00 -0.65 0.00 0.00 35.03 35.72 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k0f n ASP 74 N -2.30 0.00 0.16 -5.58 5.68 -1.26 -1.29 116.55 111.96 2k0f n ASP 74 Ca 0.01 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.48 2k0f n ASP 74 Cb 0.22 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 40.99 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2k0f h THR 75 N 0.00 0.49 -0.01 2.12 1.35 -2.00 -0.12 112.91 114.74 2k0f h THR 75 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.70 2k0f h THR 75 Cb 0.00 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.19 2k0f h THR 75 CO 0.00 0.00 -0.75 0.44 -0.25 0.00 0.00 175.52 174.96 2k0f h ASP 76 N 0.00 0.07 1.56 5.36 3.32 -1.86 -3.00 116.42 121.88 2k0f h ASP 76 Ca 0.13 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2k0f h ASP 76 Cb 0.67 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2k0f h ASP 76 CO -0.00 0.79 0.00 -1.28 -1.72 0.00 0.00 179.24 177.03 2k0f h SER 77 N 0.04 0.00 0.07 6.45 0.87 0.34 -2.25 113.55 119.06 2k0f h SER 77 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2k0f h SER 77 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2k0f h SER 77 CO 0.10 0.00 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.04 2k0f h GLU 78 N 0.00 -0.09 -0.54 2.24 5.08 -1.44 -3.34 114.58 116.49 2k0f h GLU 78 Ca 0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 78 Cb 0.78 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2k0f h GLU 78 CO 0.00 0.48 0.36 0.93 -1.00 0.00 0.00 179.01 179.78 2k0f h GLU 79 N -0.89 0.58 -0.79 2.33 4.39 -1.38 -1.60 114.58 117.22 2k0f h GLU 79 Ca -0.01 -0.04 0.14 0.00 0.34 0.00 0.00 59.36 59.79 2k0f h GLU 79 Cb 0.61 -0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.03 2k0f h GLU 79 CO 0.02 0.39 0.37 0.93 -1.16 0.00 0.00 179.01 179.55 2k0f h GLU 80 N 0.60 0.53 -0.06 2.33 5.08 -1.54 -1.61 114.58 119.91 2k0f h GLU 80 Ca 0.22 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 2k0f h GLU 80 Cb 0.13 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2k0f h GLU 80 CO -0.06 0.35 -0.90 0.82 -1.00 0.00 0.00 179.01 178.22 2k0f h ILE 81 N 0.55 1.32 -0.89 3.13 2.04 -1.43 -3.29 117.51 118.92 2k0f h ILE 81 Ca 0.43 -2.19 0.09 0.00 1.00 0.00 0.00 64.86 64.19 2k0f h ILE 81 Cb 0.61 2.23 -0.07 0.00 -0.74 0.00 0.00 36.82 38.85 2k0f h ILE 81 CO -0.37 0.68 0.54 -0.09 0.00 0.00 0.00 178.15 178.91 2k0f h ARG 82 N 0.39 0.88 -0.66 2.37 2.43 -1.15 -2.39 114.38 116.25 2k0f h ARG 82 Ca -0.08 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 2k0f h ARG 82 Cb 1.53 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.86 2k0f h ARG 82 CO 0.17 0.58 0.11 0.93 -1.51 0.00 0.00 179.97 180.25 2k0f h GLU 83 N 0.91 1.09 0.00 0.20 4.39 -1.37 -1.83 114.58 117.97 2k0f h GLU 83 Ca 0.42 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 2k0f h GLU 83 Cb 0.35 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2k0f h GLU 83 CO -0.23 0.99 -0.32 0.00 -1.16 0.00 0.00 179.01 178.29 2k0f h ALA 84 N 1.09 1.22 -0.06 3.43 0.00 -1.51 -2.92 119.26 120.50 2k0f h ALA 84 Ca 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2k0f h ALA 84 Cb 0.43 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k0f h ALA 84 CO 0.01 0.40 -0.08 0.35 0.00 0.00 0.00 179.25 179.94 2k0f h PHE 85 N 0.00 0.20 -0.91 0.00 3.04 -0.88 -3.05 116.94 115.33 2k0f h PHE 85 Ca -0.00 -0.06 0.21 0.00 3.98 0.00 0.00 57.97 62.09 2k0f h PHE 85 Cb 0.68 -0.04 -0.12 0.00 2.56 0.00 0.00 35.95 39.03 2k0f h PHE 85 CO 0.00 0.64 0.45 -0.09 -2.02 0.00 0.00 178.31 177.29 2k0f h ARG 86 N -0.30 0.49 -0.26 1.11 2.43 -1.35 -0.52 114.38 115.98 2k0f h ARG 86 Ca 0.01 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 86 Cb 0.61 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2k0f h ARG 86 CO 0.02 0.33 0.10 0.28 -1.51 0.00 0.00 179.97 179.18 2k0f h VAL 87 N 0.51 0.94 -0.28 0.20 2.07 -1.49 -3.29 116.25 114.90 2k0f h VAL 87 Ca 0.55 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.98 2k0f h VAL 87 Cb 0.99 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2k0f h VAL 87 CO -0.47 0.04 0.08 -0.26 0.02 0.00 0.00 177.57 176.98 2k0f h PHE 88 N 0.22 0.45 -3.51 1.57 0.04 -1.10 -3.44 116.94 111.16 2k0f h PHE 88 Ca 0.11 -0.05 -0.62 0.00 2.80 0.00 0.00 57.97 60.22 2k0f h PHE 88 Cb 0.08 -0.13 -0.12 0.00 2.20 0.00 0.00 35.95 37.98 2k0f h PHE 88 CO -0.12 0.48 0.23 0.34 -0.60 0.00 0.00 178.31 178.64 2k0f s ASP 89 N -5.78 6.53 -0.06 2.17 2.15 -0.33 -4.59 116.67 116.75 2k0f s ASP 89 Ca -0.13 0.43 -0.10 0.00 0.43 0.00 0.00 52.55 53.18 2k0f s ASP 89 Cb 0.08 -2.35 -0.30 0.00 -0.30 0.00 0.00 42.92 40.05 2k0f s ASP 89 CO 0.73 -0.55 0.61 0.50 -0.17 0.00 0.00 175.17 176.29 2k0f h LYS 90 N 8.24 0.37 0.38 4.34 1.63 -1.85 -3.40 116.57 126.29 2k0f h LYS 90 Ca -0.26 -0.64 -0.02 0.00 -0.85 0.00 0.00 60.65 58.88 2k0f h LYS 90 Cb 1.11 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2k0f h LYS 90 CO 0.84 1.31 -0.18 0.38 -3.45 0.00 0.00 179.45 178.34 2k0f h ASP 91 N 0.10 -0.44 0.00 4.20 3.04 -1.96 -3.49 116.42 117.87 2k0f h ASP 91 Ca -0.36 -0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 2k0f h ASP 91 Cb 2.09 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 40.49 2k0f h ASP 91 CO 0.16 -0.07 0.00 0.61 -2.04 0.00 0.00 179.24 177.90 2k0f n GLY 92 N -0.37 -0.39 0.18 7.15 0.00 -1.26 -5.06 105.19 105.44 2k0f n GLY 92 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.01 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 7.08 -1.94 -3.47 115.58 118.86 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.13 0.00 0.61 -2.08 0.00 0.00 177.43 176.09 2k0f n GLY 94 N 1.15 0.79 2.71 9.14 0.00 -1.26 -5.07 105.19 112.65 2k0f n GLY 94 Ca 0.02 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 0.91 -0.32 1.61 2.02 -1.26 -2.54 117.35 115.77 2k0f s TYR 95 Ca 0.00 -0.82 -0.26 0.00 -0.37 0.00 0.00 57.07 55.62 2k0f s TYR 95 Cb 0.00 -1.01 0.01 0.00 -0.40 0.00 0.00 41.96 40.56 2k0f s TYR 95 CO 0.00 -0.62 0.91 0.42 -1.57 0.00 0.00 175.55 174.69 2k0f s ILE 96 N 1.90 4.67 0.85 2.71 1.01 0.21 -4.87 121.20 127.68 2k0f s ILE 96 Ca 0.00 1.36 -0.12 0.00 0.00 0.00 0.00 60.65 61.89 2k0f s ILE 96 Cb -0.17 -4.27 0.13 0.00 0.01 0.00 0.00 42.46 38.16 2k0f s ILE 96 CO -0.10 -0.38 1.20 -0.94 0.00 0.00 0.00 174.94 174.73 2k0f s SER 97 N 1.67 3.96 0.27 3.58 1.04 -1.26 -0.55 113.70 122.41 2k0f s SER 97 Ca 0.38 0.44 0.07 0.00 0.48 0.00 0.00 55.95 57.32 2k0f s SER 97 Cb -0.13 -0.76 0.37 0.00 0.10 0.00 0.00 66.02 65.60 2k0f s SER 97 CO 0.14 -2.20 1.63 0.00 0.98 0.00 0.00 173.24 173.79 2k0f h ALA 98 N -1.20 1.00 -0.37 5.32 0.00 -1.96 -2.27 119.26 119.78 2k0f h ALA 98 Ca -0.44 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.00 2k0f h ALA 98 Cb 1.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 98 CO 0.52 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.62 2k0f h ALA 99 N 1.33 0.45 -0.37 0.00 0.00 -1.98 -1.39 119.26 117.30 2k0f h ALA 99 Ca -0.00 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 99 Cb 0.99 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k0f h ALA 99 CO 0.08 -0.20 -0.35 0.93 0.00 0.00 0.00 179.25 179.71 2k0f h GLU 100 N 0.36 0.86 0.55 0.00 5.08 -1.85 -3.01 114.58 116.57 2k0f h GLU 100 Ca 0.16 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2k0f h GLU 100 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2k0f h GLU 100 CO -0.13 1.07 -0.31 1.25 -1.00 0.00 0.00 179.01 179.90 2k0f h LEU 101 N 0.72 -0.76 -0.91 1.33 5.85 -1.23 -2.92 115.31 117.39 2k0f h LEU 101 Ca 0.07 0.04 0.21 0.00 0.84 0.00 0.00 57.88 59.04 2k0f h LEU 101 Cb 0.92 0.21 -0.12 0.00 0.37 0.00 0.00 40.66 42.04 2k0f h LEU 101 CO 0.08 -0.50 0.44 -0.09 -0.34 0.00 0.00 178.44 178.03 2k0f h ARG 102 N -0.80 0.46 -0.48 1.25 2.43 -1.37 -1.80 114.38 114.06 2k0f h ARG 102 Ca -0.07 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 102 Cb 0.64 -0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 29.99 2k0f h ARG 102 CO 0.09 0.30 -0.16 1.25 -1.51 0.00 0.00 179.97 179.94 2k0f h HIS 103 N 0.47 -0.37 -0.40 2.20 2.76 -1.37 0.02 115.15 118.45 2k0f h HIS 103 Ca 0.56 0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.66 2k0f h HIS 103 Cb 1.02 0.24 -0.01 0.00 1.55 0.00 0.00 27.41 30.21 2k0f h HIS 103 CO -0.11 -0.25 -0.20 0.28 -1.30 0.00 0.00 177.93 176.35 2k0f h VAL 104 N -0.05 1.27 -0.32 5.26 2.07 -1.22 -1.89 116.25 121.37 2k0f h VAL 104 Ca 0.23 -1.31 -0.14 0.00 0.82 0.00 0.00 66.70 66.29 2k0f h VAL 104 Cb 0.40 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2k0f h VAL 104 CO -0.52 0.44 -0.36 0.24 0.02 0.00 0.00 177.57 177.39 2k0f h MET 105 N 0.69 0.81 -0.36 1.57 2.07 -1.20 -1.73 114.93 116.79 2k0f h MET 105 Ca 0.10 -0.44 -0.16 0.00 -2.07 0.00 0.00 59.70 57.13 2k0f h MET 105 Cb 0.72 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.46 2k0f h MET 105 CO 0.05 1.08 -0.41 1.15 1.07 0.00 0.00 176.91 179.85 2k0f h THR 106 N 0.58 1.27 -0.08 2.22 2.02 -0.78 0.37 112.91 118.51 2k0f h THR 106 Ca 0.04 -1.59 0.04 0.00 0.77 0.00 0.00 66.41 65.68 2k0f h THR 106 Cb 0.95 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.74 2k0f h THR 106 CO 0.09 0.53 -0.18 0.78 0.37 0.00 0.00 175.52 177.11 2k0f h ASN 107 N 0.72 -0.53 0.09 4.18 2.35 -1.35 -2.77 115.58 118.27 2k0f h ASN 107 Ca 0.05 0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 2k0f h ASN 107 Cb 1.00 0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 2k0f h ASN 107 CO 0.10 -0.23 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.33 2k0f h LEU 108 N -0.25 0.26 0.00 1.61 3.38 -1.32 -3.44 115.31 115.56 2k0f h LEU 108 Ca 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 108 Cb 0.36 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2k0f h LEU 108 CO -0.22 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2k0f n GLY 109 N -0.55 0.91 3.90 0.83 0.00 -0.64 -5.00 105.19 104.63 2k0f n GLY 109 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 3.57 -1.07 1.61 2.56 0.03 -5.01 118.70 120.39 2k0f s GLU 110 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.97 54.78 2k0f s GLU 110 Cb 0.00 -2.95 0.31 0.00 2.00 0.00 0.00 34.13 33.48 2k0f s GLU 110 CO 0.00 0.55 1.64 1.63 -0.56 0.00 0.00 175.26 178.52 2k0f n LYS 111 N 0.41 4.83 -2.04 4.30 5.02 -1.26 -4.65 118.16 124.76 2k0f n LYS 111 Ca -0.05 -4.55 -0.32 0.00 -2.02 0.00 0.00 58.31 51.37 2k0f n LYS 111 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2k0f s LEU 112 N -3.30 3.41 0.54 -0.35 0.05 -1.26 -5.12 118.68 112.65 2k0f s LEU 112 Ca 0.35 1.59 0.03 0.00 0.05 0.00 0.00 54.13 56.14 2k0f s LEU 112 Cb 0.11 -4.50 0.02 0.00 -2.05 0.00 0.00 46.19 39.77 2k0f s LEU 112 CO 0.02 -0.93 0.22 0.42 -0.55 0.00 0.00 176.35 175.53 2k0f s THR 113 N -2.81 1.30 0.12 5.48 -4.23 -1.26 -5.01 115.64 109.24 2k0f s THR 113 Ca 0.59 -1.73 -0.31 0.00 -1.18 0.00 0.00 61.69 59.06 2k0f s THR 113 Cb -0.12 -2.03 -0.09 0.00 1.34 0.00 0.00 72.50 71.60 2k0f s THR 113 CO 0.43 0.00 1.57 0.44 -0.54 0.00 0.00 174.62 176.52 2k0f h ASP 114 N 0.97 -1.43 -0.75 3.99 3.32 -2.00 -2.97 116.42 117.55 2k0f h ASP 114 Ca -0.40 0.17 0.16 0.00 0.02 0.00 0.00 57.03 56.99 2k0f h ASP 114 Cb 1.32 0.56 -0.14 0.00 0.22 0.00 0.00 39.33 41.29 2k0f h ASP 114 CO 0.64 -0.47 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.28 2k0f h GLU 115 N -0.58 0.05 -0.86 3.56 5.08 -1.99 -2.31 114.58 117.53 2k0f h GLU 115 Ca 0.05 -0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.57 2k0f h GLU 115 Cb 0.67 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 115 CO -0.36 0.03 0.43 0.93 -1.00 0.00 0.00 179.01 179.04 2k0f h GLU 116 N 0.05 0.56 0.05 2.33 4.39 -1.94 0.15 114.58 120.18 2k0f h GLU 116 Ca 0.39 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.83 2k0f h GLU 116 Cb 0.66 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2k0f h GLU 116 CO -0.71 0.37 -1.04 0.28 -1.16 0.00 0.00 179.01 176.74 2k0f h VAL 117 N 0.58 1.52 -0.25 3.13 2.07 -1.26 -2.12 116.25 119.92 2k0f h VAL 117 Ca 0.49 -2.89 0.06 0.00 0.82 0.00 0.00 66.70 65.17 2k0f h VAL 117 Cb 0.75 2.70 -0.06 0.00 -1.52 0.00 0.00 31.29 33.16 2k0f h VAL 117 CO -0.40 0.84 -0.14 -0.78 0.02 0.00 0.00 177.57 177.12 2k0f h ASP 118 N 0.09 -0.46 -0.14 0.57 3.58 -1.43 -2.48 116.42 116.15 2k0f h ASP 118 Ca -0.08 0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 2k0f h ASP 118 Cb 1.73 0.25 -0.02 0.00 1.72 0.00 0.00 39.33 43.01 2k0f h ASP 118 CO 0.16 -0.17 -0.13 -0.08 -2.88 0.00 0.00 179.24 176.14 2k0f h GLU 119 N -0.11 0.50 -0.63 0.28 4.81 -0.90 -2.20 114.58 116.33 2k0f h GLU 119 Ca 0.13 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 119 Cb 0.32 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 2k0f h GLU 119 CO -0.32 0.63 0.41 1.98 -0.73 0.00 0.00 179.01 180.97 2k0f h MET 120 N 0.46 0.79 -0.50 1.92 4.05 -1.22 0.12 114.93 120.56 2k0f h MET 120 Ca 0.09 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 2k0f h MET 120 Cb 0.50 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 2k0f h MET 120 CO 0.03 0.52 0.17 0.82 0.23 0.00 0.00 176.91 178.68 2k0f h ILE 121 N 0.81 1.22 -0.59 1.77 1.08 -1.22 -3.05 117.51 117.54 2k0f h ILE 121 Ca 0.24 -0.73 -0.10 0.00 -0.39 0.00 0.00 64.86 63.88 2k0f h ILE 121 Cb -0.05 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 2k0f h ILE 121 CO -0.07 0.27 -0.03 0.03 -0.69 0.00 0.00 178.15 177.66 2k0f h ARG 122 N 0.68 1.06 -0.31 2.37 3.08 -1.10 -0.55 114.38 119.60 2k0f h ARG 122 Ca 0.16 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.74 2k0f h ARG 122 Cb 0.25 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2k0f h ARG 122 CO -0.01 1.05 -0.30 1.05 -1.07 0.00 0.00 179.97 180.69 2k0f h GLU 123 N 0.96 0.66 0.45 0.04 4.11 -0.85 -3.26 114.58 116.69 2k0f h GLU 123 Ca 0.16 -0.29 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 2k0f h GLU 123 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2k0f h GLU 123 CO 0.04 0.88 -0.21 0.00 0.07 0.00 0.00 179.01 179.78 2k0f h ALA 124 N 1.11 -0.82 -2.03 1.06 0.00 -1.49 -3.45 119.26 113.65 2k0f h ALA 124 Ca 0.07 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.28 2k0f h ALA 124 Cb 0.79 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2k0f h ALA 124 CO 0.07 -0.77 0.92 0.34 0.00 0.00 0.00 179.25 179.80 2k0f s ASP 125 N -3.81 6.83 0.06 0.00 2.15 -0.22 -4.95 116.67 116.74 2k0f s ASP 125 Ca -0.09 1.35 -0.19 0.00 0.43 0.00 0.00 52.55 54.06 2k0f s ASP 125 Cb 0.01 -2.54 -0.11 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 125 CO 0.26 -0.92 1.42 0.40 -0.17 0.00 0.00 175.17 176.16 2k0f h ILE 126 N 5.74 1.31 0.02 4.11 1.08 -1.87 -3.38 117.51 124.52 2k0f h ILE 126 Ca -0.25 -1.19 -0.00 0.00 -0.39 0.00 0.00 64.86 63.03 2k0f h ILE 126 Cb 1.09 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 2k0f h ILE 126 CO 1.01 0.36 -0.01 -2.24 -0.69 0.00 0.00 178.15 176.58 2k0f h ASP 127 N 0.14 -0.02 0.00 1.72 2.03 -1.96 -3.50 116.42 114.83 2k0f h ASP 127 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 2k0f h ASP 127 Cb 0.61 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 2k0f h ASP 127 CO 0.03 0.04 0.00 0.61 -1.03 0.00 0.00 179.24 178.89 2k0f n GLY 128 N 1.54 0.82 0.37 7.15 0.00 -1.26 -5.07 105.19 108.74 2k0f n GLY 128 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.76 0.00 1.61 2.03 -1.96 -3.48 116.42 113.85 2k0f h ASP 129 Ca 0.00 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 2k0f h ASP 129 Cb 0.00 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 2k0f h ASP 129 CO 0.00 -0.42 0.00 0.61 -1.03 0.00 0.00 179.24 178.40 2k0f n GLY 130 N -0.69 1.95 2.19 7.15 0.00 -1.26 -5.14 105.19 109.39 2k0f n GLY 130 Ca -0.11 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 2k0f n GLY 130 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k0f n GLN 131 N 0.00 1.14 -4.99 1.61 6.02 -1.26 -4.60 117.38 115.30 2k0f n GLN 131 Ca 0.00 -2.10 -0.32 0.00 -0.01 0.00 0.00 57.00 54.56 2k0f n GLN 131 Cb 0.00 0.40 -0.15 0.00 1.02 0.00 0.00 30.24 31.51 2k0f n GLN 131 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2k0f s VAL 132 N -1.84 2.68 0.81 5.09 1.01 0.28 -4.96 120.40 123.48 2k0f s VAL 132 Ca 0.09 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2k0f s VAL 132 Cb -0.01 -2.06 0.17 0.00 0.00 0.00 0.00 36.38 34.49 2k0f s VAL 132 CO 0.06 0.56 1.11 -0.46 0.00 0.00 0.00 175.10 176.37 2k0f n ASN 133 N 2.98 1.07 0.50 3.32 0.23 -1.26 -0.61 115.26 121.49 2k0f n ASN 133 Ca -0.18 -2.00 -0.20 0.00 -0.53 0.00 0.00 54.58 51.67 2k0f n ASN 133 Cb 0.52 -0.76 -0.09 0.00 -2.08 0.00 0.00 39.78 37.37 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 -0.90 -1.19 -1.00 -2.53 5.03 -1.91 -1.55 116.97 112.92 2k0f h TYR 134 Ca -0.36 -0.03 0.17 0.00 2.58 0.00 0.00 58.73 61.09 2k0f h TYR 134 Cb 1.24 0.39 -0.10 0.00 1.55 0.00 0.00 36.73 39.82 2k0f h TYR 134 CO 0.00 -0.74 0.62 1.49 -1.32 0.00 0.00 178.16 178.21 2k0f h GLU 135 N -1.34 0.81 0.00 1.82 4.57 -1.96 0.20 114.58 118.68 2k0f h GLU 135 Ca -0.13 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 2k0f h GLU 135 Cb 0.98 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 2k0f h GLU 135 CO 0.21 0.54 -0.26 0.93 -1.18 0.00 0.00 179.01 179.25 2k0f h GLU 136 N 0.84 0.00 0.00 1.92 5.08 -1.94 0.84 114.58 121.32 2k0f h GLU 136 Ca 0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.91 2k0f h GLU 136 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2k0f h GLU 136 CO -0.35 0.26 -0.00 0.35 -1.00 0.00 0.00 179.01 178.27 2k0f h PHE 137 N 0.00 0.00 0.02 4.33 3.04 -0.96 -3.30 116.94 120.06 2k0f h PHE 137 Ca -0.00 -0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.74 2k0f h PHE 137 Cb 0.46 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 2k0f h PHE 137 CO 0.00 0.90 -0.94 0.28 -2.02 0.00 0.00 178.31 176.53 2k0f h VAL 138 N -0.90 1.58 0.00 1.41 2.07 -0.05 -1.14 116.25 119.22 2k0f h VAL 138 Ca -0.00 -2.94 -0.03 0.00 0.82 0.00 0.00 66.70 64.56 2k0f h VAL 138 Cb 0.90 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 2k0f h VAL 138 CO 0.00 0.85 -0.13 -0.61 0.02 0.00 0.00 177.57 177.70 2k0f h GLN 139 N 0.05 0.00 0.42 1.57 4.15 -1.08 -1.92 115.11 118.29 2k0f h GLN 139 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2k0f h GLN 139 Cb 1.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.31 2k0f h GLN 139 CO 0.13 0.13 -0.20 1.98 -1.93 0.00 0.00 178.83 178.94 2k0f h MET 140 N 0.00 -0.54 0.00 1.69 4.05 -1.54 -3.36 114.93 115.22 2k0f h MET 140 Ca -0.00 0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2k0f h MET 140 Cb 0.83 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2k0f h MET 140 CO 0.02 -0.24 -0.16 0.52 0.23 0.00 0.00 176.91 177.28 2k0f h MET 141 N -0.86 0.00 -0.00 0.39 2.86 -0.55 -3.51 114.93 113.25 2k0f h MET 141 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2k0f h MET 141 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2k0f h MET 141 CO 0.09 0.16 0.00 0.25 1.06 0.00 0.00 176.91 178.47