#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 0.00 -3.35 -0.78 1.02 -1.26 -4.99 120.64 111.28 2k0f n GLU 2 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 2k0f n GLU 2 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2k0f n GLU 2 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k0f n GLU 3 N 0.00 2.93 -0.30 3.49 1.02 -1.26 -4.96 120.64 121.57 2k0f n GLU 3 Ca 0.00 -4.65 -0.05 0.00 -0.02 0.00 0.00 57.16 52.44 2k0f n GLU 3 Cb 0.00 -2.31 0.07 0.00 -0.02 0.00 0.00 31.44 29.18 2k0f n GLU 3 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2k0f h GLN 4 N 4.47 1.11 -0.61 3.49 4.20 -2.00 -2.10 115.11 123.67 2k0f h GLN 4 Ca 0.20 -0.12 0.13 0.00 0.06 0.00 0.00 58.65 58.92 2k0f h GLN 4 Cb 0.65 -0.22 -0.10 0.00 0.30 0.00 0.00 27.48 28.11 2k0f h GLN 4 CO 0.94 0.80 0.03 0.82 -0.67 0.00 0.00 178.83 180.75 2k0f h ILE 5 N 1.11 0.52 0.00 2.54 1.08 -2.00 -2.59 117.51 118.17 2k0f h ILE 5 Ca 0.29 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.69 2k0f h ILE 5 Cb -0.00 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.11 2k0f h ILE 5 CO -0.05 0.03 -0.09 0.00 -0.69 0.00 0.00 178.15 177.35 2k0f h ALA 6 N 1.54 1.40 -0.30 1.87 0.00 -1.82 -0.17 119.26 121.78 2k0f h ALA 6 Ca 0.32 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2k0f h ALA 6 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k0f h ALA 6 CO -0.50 0.11 -0.29 0.93 0.00 0.00 0.00 179.25 179.51 2k0f h GLU 7 N 0.00 0.72 0.10 0.00 5.08 -1.01 -2.22 114.58 117.24 2k0f h GLU 7 Ca -0.00 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 7 Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 7 CO 0.01 0.99 -0.05 0.74 -1.00 0.00 0.00 179.01 179.71 2k0f h PHE 8 N 0.47 -0.12 -0.08 4.33 0.04 -1.32 -3.31 116.94 116.94 2k0f h PHE 8 Ca 0.05 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.83 2k0f h PHE 8 Cb 0.86 0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.03 2k0f h PHE 8 CO 0.07 0.26 -0.04 -0.22 -0.60 0.00 0.00 178.31 177.78 2k0f h LYS 9 N -0.53 -0.03 0.00 1.51 3.64 -1.05 -0.49 116.57 119.61 2k0f h LYS 9 Ca -0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2k0f h LYS 9 Cb 0.44 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2k0f h LYS 9 CO 0.02 -0.02 -0.18 0.93 -2.27 0.00 0.00 179.45 177.93 2k0f h GLU 10 N -0.03 0.00 0.00 1.90 5.08 -1.58 -2.44 114.58 117.51 2k0f h GLU 10 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 10 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 10 CO -0.10 0.18 -0.47 0.00 -1.00 0.00 0.00 179.01 177.62 2k0f n ALA 11 N -2.26 3.15 -0.01 3.43 0.00 -0.76 -2.43 120.51 121.64 2k0f n ALA 11 Ca -0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 2k0f n ALA 11 Cb 0.33 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 2k0f n ALA 11 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2k0f h PHE 12 N 0.00 -0.06 0.00 0.00 3.04 -0.63 -3.18 116.94 116.11 2k0f h PHE 12 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2k0f h PHE 12 Cb 0.59 0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.12 2k0f h PHE 12 CO 0.00 0.54 0.00 0.43 -2.02 0.00 0.00 178.31 177.26 2k0f n SER 13 N -4.81 0.00 0.07 0.41 7.64 -1.10 -1.23 113.62 114.59 2k0f n SER 13 Ca -0.09 0.34 -0.12 0.00 1.01 0.00 0.00 58.87 60.01 2k0f n SER 13 Cb 0.31 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.00 0.49 0.02 -3.43 5.85 -1.46 -3.33 115.31 113.45 2k0f h LEU 14 Ca 0.00 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 2k0f h LEU 14 Cb 0.30 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2k0f h LEU 14 CO 0.00 1.18 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.88 2k0f h PHE 15 N 0.22 0.10 -3.43 1.25 0.04 -1.17 -3.45 116.94 110.50 2k0f h PHE 15 Ca -0.07 -0.07 -0.57 0.00 2.80 0.00 0.00 57.97 60.06 2k0f h PHE 15 Cb 1.54 -0.01 -0.09 0.00 2.20 0.00 0.00 35.95 39.60 2k0f h PHE 15 CO 0.05 1.01 0.82 0.34 -0.60 0.00 0.00 178.31 179.94 2k0f s ASP 16 N -6.31 6.49 0.36 2.17 2.15 -0.44 -4.70 116.67 116.39 2k0f s ASP 16 Ca -0.18 0.13 0.04 0.00 0.43 0.00 0.00 52.55 52.97 2k0f s ASP 16 Cb -0.02 -2.51 0.69 0.00 -0.30 0.00 0.00 42.92 40.78 2k0f s ASP 16 CO 0.71 -1.30 1.98 0.50 -0.17 0.00 0.00 175.17 176.90 2k0f h LYS 17 N 9.33 0.65 0.25 4.34 1.63 -1.87 -3.19 116.57 127.71 2k0f h LYS 17 Ca -0.24 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.47 2k0f h LYS 17 Cb 1.06 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2k0f h LYS 17 CO 1.12 0.50 -0.12 -0.44 -3.45 0.00 0.00 179.45 177.07 2k0f h ASP 18 N 0.65 -0.28 0.00 4.20 3.32 -1.92 -3.49 116.42 118.91 2k0f h ASP 18 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2k0f h ASP 18 Cb 0.06 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2k0f h ASP 18 CO -0.02 -0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.03 2k0f n GLY 19 N 0.31 1.85 0.10 2.75 0.00 -1.21 -5.05 105.19 103.95 2k0f n GLY 19 Ca -0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 0.13 0.86 0.00 1.61 5.68 -1.26 -5.02 116.55 118.55 2k0f n ASP 20 Ca 0.00 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 2k0f n ASP 20 Cb 0.03 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.79 1.74 3.17 6.12 0.00 -1.26 -5.11 105.19 111.64 2k0f n GLY 21 Ca -0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 1.91 -0.81 2.61 -4.23 -1.26 -3.88 115.64 107.98 2k0f s THR 22 Ca 0.00 -0.92 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 2k0f s THR 22 Cb 0.00 -1.68 0.17 0.00 1.34 0.00 0.00 72.50 72.33 2k0f s THR 22 CO 0.00 0.53 0.86 -0.63 -0.54 0.00 0.00 174.62 174.84 2k0f s ILE 23 N 0.59 5.19 0.79 2.99 1.01 0.18 -4.69 121.20 127.25 2k0f s ILE 23 Ca -0.14 -1.91 -0.12 0.00 0.00 0.00 0.00 60.65 58.49 2k0f s ILE 23 Cb -0.17 -4.57 0.07 0.00 0.01 0.00 0.00 42.46 37.81 2k0f s ILE 23 CO 0.04 -1.19 1.17 0.42 0.00 0.00 0.00 174.94 175.37 2k0f s THR 24 N 1.44 2.22 0.06 2.92 -4.23 -1.26 -1.74 115.64 115.04 2k0f s THR 24 Ca 0.21 0.06 0.14 0.00 -1.18 0.00 0.00 61.69 60.93 2k0f s THR 24 Cb -0.12 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 70.69 2k0f s THR 24 CO -0.06 -0.09 1.54 0.71 -0.54 0.00 0.00 174.62 176.18 2k0f h THR 25 N -0.99 1.09 0.66 3.99 1.35 -1.95 -0.61 112.91 116.45 2k0f h THR 25 Ca -0.46 -2.17 -0.03 0.00 -0.55 0.00 0.00 66.41 63.20 2k0f h THR 25 Cb 1.32 2.29 0.01 0.00 -1.73 0.00 0.00 68.15 70.04 2k0f h THR 25 CO 0.66 0.55 -0.32 0.11 -0.25 0.00 0.00 175.52 176.26 2k0f h LYS 26 N 0.00 -0.86 -0.00 4.72 1.79 -1.96 0.02 116.57 120.28 2k0f h LYS 26 Ca -0.01 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2k0f h LYS 26 Cb 1.25 0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 32.09 2k0f h LYS 26 CO 0.07 -0.57 -0.02 0.93 -1.08 0.00 0.00 179.45 178.78 2k0f h GLU 27 N -1.13 -0.02 -0.48 3.15 5.08 -1.91 -2.60 114.58 116.67 2k0f h GLU 27 Ca -0.09 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 27 Cb 0.68 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 2k0f h GLU 27 CO 0.15 -0.02 0.05 1.25 -1.00 0.00 0.00 179.01 179.45 2k0f h LEU 28 N -0.02 -0.09 -1.75 1.33 5.85 -1.25 -2.44 115.31 116.94 2k0f h LEU 28 Ca 0.00 0.10 0.23 0.00 0.84 0.00 0.00 57.88 59.05 2k0f h LEU 28 Cb 0.03 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2k0f h LEU 28 CO -0.01 -0.02 0.62 1.23 -0.34 0.00 0.00 178.44 179.92 2k0f h GLY 29 N 0.18 0.44 1.25 3.75 0.00 -1.04 -2.59 103.07 105.05 2k0f h GLY 29 Ca 0.24 -0.09 -0.27 0.00 0.00 0.00 0.00 47.33 47.21 2k0f h GLY 29 CO -0.35 -0.01 -1.09 -0.84 0.00 0.00 0.00 176.54 174.25 2k0f h THR 30 N 0.19 1.29 -0.86 4.70 2.02 -1.02 0.16 112.91 119.39 2k0f h THR 30 Ca 0.45 -2.32 0.12 0.00 0.77 0.00 0.00 66.41 65.43 2k0f h THR 30 Cb 1.45 2.46 -0.08 0.00 -1.74 0.00 0.00 68.15 70.23 2k0f h THR 30 CO -0.10 0.71 0.48 0.58 0.37 0.00 0.00 175.52 177.57 2k0f h VAL 31 N 0.36 0.84 -0.11 3.16 2.07 -1.40 0.37 116.25 121.54 2k0f h VAL 31 Ca -0.14 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 2k0f h VAL 31 Cb 1.74 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2k0f h VAL 31 CO 0.21 0.14 -0.12 0.24 0.02 0.00 0.00 177.57 178.05 2k0f h MET 32 N 0.75 0.27 -0.82 1.57 2.86 -1.31 -1.61 114.93 116.64 2k0f h MET 32 Ca 0.44 -0.15 0.12 0.00 -2.06 0.00 0.00 59.70 58.05 2k0f h MET 32 Cb 0.50 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.09 2k0f h MET 32 CO -0.30 0.70 0.43 -0.09 1.06 0.00 0.00 176.91 178.71 2k0f h ARG 33 N -0.14 0.65 -0.26 1.72 2.43 -0.43 0.12 114.38 118.47 2k0f h ARG 33 Ca 0.01 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 2k0f h ARG 33 Cb 0.66 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2k0f h ARG 33 CO 0.03 0.43 -0.35 0.77 -1.51 0.00 0.00 179.97 179.34 2k0f h SER 34 N 0.67 0.59 0.63 -3.80 0.02 0.02 -3.27 113.55 108.40 2k0f h SER 34 Ca 0.42 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2k0f h SER 34 Cb 0.51 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.90 2k0f h SER 34 CO -0.31 0.89 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.90 2k0f h LEU 35 N 0.47 -0.72 0.00 5.07 3.38 -1.14 -3.47 115.31 118.91 2k0f h LEU 35 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k0f h LEU 35 Cb 0.84 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2k0f h LEU 35 CO 0.07 -0.40 0.00 0.61 0.09 0.00 0.00 178.44 178.81 2k0f n GLY 36 N -0.68 -1.47 3.65 0.83 0.00 0.40 -5.06 105.19 102.87 2k0f n GLY 36 Ca -0.11 0.68 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 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 0.43 4.17 -0.39 1.61 2.00 -1.21 -4.63 119.66 121.65 2k0f s GLN 37 Ca 0.00 1.22 -0.09 0.00 -2.00 0.00 0.00 55.36 54.48 2k0f s GLN 37 Cb 0.00 -3.68 0.05 0.00 0.80 0.00 0.00 33.01 30.18 2k0f s GLN 37 CO 0.00 -0.74 0.22 1.21 -0.50 0.00 0.00 175.29 175.48 2k0f s ASN 38 N 1.39 5.63 0.74 6.67 2.47 -1.26 -4.00 114.94 126.58 2k0f s ASN 38 Ca 0.44 -1.26 -0.11 0.00 0.42 0.00 0.00 52.86 52.35 2k0f s ASN 38 Cb -0.14 -1.98 0.04 0.00 -1.45 0.00 0.00 41.25 37.72 2k0f s ASN 38 CO 0.10 -0.45 1.08 -2.16 -3.72 0.00 0.00 177.10 171.94 2k0f s PRO 39 N 1.47 2.53 0.31 0.43 0.04 -1.26 -4.97 135.00 133.55 2k0f s PRO 39 Ca 0.02 0.92 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 2k0f s PRO 39 Cb -0.21 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 2k0f s PRO 39 CO 0.04 -1.38 1.26 0.99 0.04 0.00 0.00 177.00 177.95 2k0f s THR 40 N -3.03 2.94 0.15 1.26 2.01 -1.26 -4.95 115.64 112.75 2k0f s THR 40 Ca 0.59 0.93 -0.09 0.00 0.31 0.00 0.00 61.69 63.43 2k0f s THR 40 Cb -0.15 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 2k0f s THR 40 CO 0.55 0.22 1.44 -0.33 -0.69 0.00 0.00 174.62 175.80 2k0f h GLU 41 N 3.65 0.80 -0.14 4.92 5.08 -1.96 -1.73 114.58 125.20 2k0f h GLU 41 Ca -0.48 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 57.39 2k0f h GLU 41 Cb 1.22 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2k0f h GLU 41 CO 0.67 1.13 0.09 0.00 -1.00 0.00 0.00 179.01 179.90 2k0f h ALA 42 N 0.77 1.95 0.17 3.43 0.00 -1.98 0.11 119.26 123.70 2k0f h ALA 42 Ca 0.02 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 42 Cb 1.13 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.89 2k0f h ALA 42 CO 0.12 0.04 -1.65 0.93 0.00 0.00 0.00 179.25 178.69 2k0f h GLU 43 N 0.15 0.35 -0.16 0.00 5.08 -1.90 -3.09 114.58 115.02 2k0f h GLU 43 Ca 0.05 -0.61 0.05 0.00 -1.00 0.00 0.00 59.36 57.86 2k0f h GLU 43 Cb 0.03 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 2k0f h GLU 43 CO -0.01 1.25 -0.21 1.25 -1.00 0.00 0.00 179.01 180.29 2k0f h LEU 44 N 0.10 -0.67 -1.28 1.33 5.85 -1.15 -2.53 115.31 116.96 2k0f h LEU 44 Ca -0.30 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2k0f h LEU 44 Cb 2.08 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 43.36 2k0f h LEU 44 CO 0.18 -0.26 0.54 -0.61 -0.34 0.00 0.00 178.44 177.95 2k0f h GLN 45 N -0.26 0.81 -0.40 1.25 4.15 -0.86 -0.20 115.11 119.60 2k0f h GLN 45 Ca 0.11 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.36 2k0f h GLN 45 Cb 0.42 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2k0f h GLN 45 CO -0.31 0.53 -0.24 0.22 -1.93 0.00 0.00 178.83 177.10 2k0f h ASP 46 N 0.83 0.84 -0.37 -0.69 3.58 -1.41 0.16 116.42 119.37 2k0f h ASP 46 Ca 0.37 -0.32 -0.14 0.00 0.42 0.00 0.00 57.03 57.36 2k0f h ASP 46 Cb 0.35 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2k0f h ASP 46 CO -0.14 1.05 -0.32 0.24 -2.88 0.00 0.00 179.24 177.18 2k0f h MET 47 N 0.71 0.87 -0.58 0.28 2.86 -1.02 -1.54 114.93 116.51 2k0f h MET 47 Ca 0.09 -0.44 -0.06 0.00 -2.06 0.00 0.00 59.70 57.23 2k0f h MET 47 Cb 0.77 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 2k0f h MET 47 CO 0.06 1.09 0.12 0.82 1.06 0.00 0.00 176.91 180.06 2k0f h ILE 48 N 0.67 1.25 0.00 -1.22 2.04 -0.60 -3.11 117.51 116.54 2k0f h ILE 48 Ca 0.06 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 2k0f h ILE 48 Cb 0.91 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2k0f h ILE 48 CO 0.08 0.35 -0.00 -1.13 0.00 0.00 0.00 178.15 177.45 2k0f h ASN 49 N 0.85 0.00 -0.29 1.72 -1.24 -0.48 0.31 115.58 116.45 2k0f h ASN 49 Ca 0.18 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.16 2k0f h ASN 49 Cb 0.39 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 2k0f h ASN 49 CO 0.01 0.00 0.09 -0.08 -1.29 0.00 0.00 177.43 176.16 2k0f h GLU 50 N 0.00 0.45 0.00 6.67 4.81 -1.21 -3.13 114.58 122.17 2k0f h GLU 50 Ca -0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 50 Cb 0.93 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2k0f h GLU 50 CO 0.00 0.51 -0.61 1.33 -0.73 0.00 0.00 179.01 179.51 2k0f n VAL 51 N -4.70 0.07 -1.92 0.32 0.24 -0.79 -4.91 118.33 106.63 2k0f n VAL 51 Ca -0.02 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.34 61.82 2k0f n VAL 51 Cb 0.17 0.24 0.01 0.00 -1.47 0.00 0.00 33.84 32.79 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 -3.27 5.91 0.00 -1.34 -1.08 0.10 -5.00 116.67 112.00 2k0f s ASP 52 Ca 0.09 2.74 0.00 0.00 -0.52 0.00 0.00 52.55 54.86 2k0f s ASP 52 Cb 0.17 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 2k0f s ASP 52 CO 0.72 -1.13 0.00 0.00 0.52 0.00 0.00 175.17 175.28 2k0f n ALA 53 N -0.30 0.00 -0.37 3.66 0.00 -1.26 -4.58 120.51 117.66 2k0f n ALA 53 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.53 2k0f n ALA 53 Cb 0.44 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.08 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N 0.00 1.01 0.00 0.00 2.03 -1.96 -3.47 116.42 114.03 2k0f h ASP 54 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2k0f h ASP 54 Cb 0.00 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.31 2k0f h ASP 54 CO 0.00 0.61 0.00 0.61 -1.03 0.00 0.00 179.24 179.43 2k0f n GLY 55 N -1.36 1.75 0.11 7.15 0.00 -1.26 -4.99 105.19 106.58 2k0f n GLY 55 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 1.38 0.00 1.61 0.23 -1.26 -4.99 115.26 112.22 2k0f n ASN 56 Ca 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 54.58 54.31 2k0f n ASN 56 Cb 0.00 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.80 1.14 3.12 4.83 0.00 -1.26 -4.95 105.19 109.86 2k0f n GLY 57 Ca -0.26 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 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 1.01 -0.22 2.61 -4.23 -1.26 -4.62 115.64 106.92 2k0f s THR 58 Ca 0.00 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.32 2k0f s THR 58 Cb 0.00 -0.92 -0.00 0.00 1.34 0.00 0.00 72.50 72.91 2k0f s THR 58 CO 0.00 -0.01 0.86 -0.63 -0.54 0.00 0.00 174.62 174.30 2k0f s ILE 59 N -0.83 4.82 0.52 2.99 1.01 -0.71 -4.87 121.20 124.14 2k0f s ILE 59 Ca 0.01 1.65 0.02 0.00 0.00 0.00 0.00 60.65 62.33 2k0f s ILE 59 Cb -0.08 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.27 2k0f s ILE 59 CO 0.01 -0.07 0.74 -1.81 0.00 0.00 0.00 174.94 173.81 2k0f s ASP 60 N 1.28 5.40 -0.01 3.58 1.01 -1.26 0.47 116.67 127.13 2k0f s ASP 60 Ca 0.37 -0.01 -0.24 0.00 0.71 0.00 0.00 52.55 53.38 2k0f s ASP 60 Cb -0.16 -0.95 -0.19 0.00 1.01 0.00 0.00 42.92 42.63 2k0f s ASP 60 CO 0.08 -1.03 1.25 0.15 0.21 0.00 0.00 175.17 175.83 2k0f h PHE 61 N 0.18 0.17 0.00 4.23 3.04 -1.97 0.28 116.94 122.87 2k0f h PHE 61 Ca -0.43 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.47 2k0f h PHE 61 Cb 1.29 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.77 2k0f h PHE 61 CO 0.39 0.64 0.00 -0.35 -2.02 0.00 0.00 178.31 176.96 2k0f n PRO 62 N -4.71 0.74 -0.02 6.41 -0.04 -1.26 -1.74 135.00 134.38 2k0f n PRO 62 Ca -0.08 0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.18 2k0f n PRO 62 Cb 0.32 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 2k0f n PRO 62 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k0f h GLU 63 N 0.00 0.19 -0.47 0.54 4.81 -1.86 -2.79 114.58 115.00 2k0f h GLU 63 Ca 0.00 -0.32 0.10 0.00 -0.13 0.00 0.00 59.36 59.01 2k0f h GLU 63 Cb 0.06 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 63 CO 0.00 1.15 -0.18 0.35 -0.73 0.00 0.00 179.01 179.60 2k0f h PHE 64 N -0.38 -0.45 0.19 0.92 3.57 -0.19 -0.02 116.94 120.60 2k0f h PHE 64 Ca -0.35 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 2k0f h PHE 64 Cb 1.72 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.73 2k0f h PHE 64 CO 0.11 -0.27 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.75 2k0f h LEU 65 N -0.08 -0.22 -0.65 0.59 4.07 -1.45 -0.96 115.31 116.60 2k0f h LEU 65 Ca 0.22 -0.27 0.04 0.00 0.08 0.00 0.00 57.88 57.95 2k0f h LEU 65 Cb 0.43 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.18 2k0f h LEU 65 CO -0.52 0.19 0.39 0.74 -1.08 0.00 0.00 178.44 178.16 2k0f h THR 66 N -0.67 1.05 -0.45 0.22 2.02 -1.48 -0.01 112.91 113.59 2k0f h THR 66 Ca -0.03 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.92 2k0f h THR 66 Cb 0.48 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2k0f h THR 66 CO 0.04 0.14 0.30 -0.03 0.37 0.00 0.00 175.52 176.34 2k0f h MET 67 N 0.76 0.51 0.16 6.66 -1.53 -0.99 -1.09 114.93 119.41 2k0f h MET 67 Ca 0.27 -0.03 -0.35 0.00 -3.44 0.00 0.00 59.70 56.15 2k0f h MET 67 Cb 0.06 -0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.00 2k0f h MET 67 CO -0.12 0.33 -1.80 1.98 0.14 0.00 0.00 176.91 177.44 2k0f h MET 68 N 0.52 0.35 0.02 0.39 -1.53 0.27 -3.36 114.93 111.59 2k0f h MET 68 Ca 0.18 -0.59 -0.22 0.00 -3.44 0.00 0.00 59.70 55.62 2k0f h MET 68 Cb 0.07 0.22 -0.00 0.00 -0.55 0.00 0.00 31.60 31.34 2k0f h MET 68 CO -0.04 1.27 -0.97 0.00 0.14 0.00 0.00 176.91 177.30 2k0f h ALA 69 N 0.15 0.37 -2.67 0.39 0.00 -0.73 -3.45 119.26 113.32 2k0f h ALA 69 Ca -0.36 -0.75 -0.51 0.00 0.00 0.00 0.00 54.91 53.29 2k0f h ALA 69 Cb 2.08 -0.04 0.08 0.00 0.00 0.00 0.00 17.79 19.90 2k0f h ALA 69 CO 0.15 0.89 0.46 -0.98 0.00 0.00 0.00 179.25 179.78 2k0f s ARG 70 N -3.12 3.46 0.15 0.00 1.70 -0.44 -5.05 118.95 115.65 2k0f s ARG 70 Ca -0.04 1.71 -0.11 0.00 -0.47 0.00 0.00 55.73 56.82 2k0f s ARG 70 Cb 0.09 -2.15 -0.07 0.00 -0.57 0.00 0.00 34.95 32.25 2k0f s ARG 70 CO 0.85 -0.78 0.50 0.15 -1.08 0.00 0.00 175.30 174.94 2k0f s LYS 71 N -3.06 3.86 0.00 3.89 1.02 -1.26 -4.96 119.74 119.22 2k0f s LYS 71 Ca 0.70 0.32 0.00 0.00 0.02 0.00 0.00 55.97 57.01 2k0f s LYS 71 Cb -0.27 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2k0f s LYS 71 CO 0.31 0.45 0.00 -1.33 -0.92 0.00 0.00 175.35 173.86 2k0f n MET 72 N 0.51 3.57 -1.94 1.68 2.81 -1.26 -5.11 117.12 117.38 2k0f n MET 72 Ca -0.04 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.56 2k0f n MET 72 Cb 0.52 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 33.11 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N 2.88 2.19 0.37 0.03 1.02 -1.26 -4.91 119.74 120.06 2k0f s LYS 73 Ca 0.00 0.14 0.23 0.00 0.02 0.00 0.00 55.97 56.36 2k0f s LYS 73 Cb 0.00 -2.00 0.36 0.00 -0.52 0.00 0.00 37.83 35.67 2k0f s LYS 73 CO 0.00 -1.42 1.55 -0.44 -0.92 0.00 0.00 175.35 174.12 2k0f h ASP 74 N -0.91 0.00 0.17 2.83 3.32 -1.99 -1.82 116.42 118.03 2k0f h ASP 74 Ca -0.46 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.42 2k0f h ASP 74 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 2k0f h ASP 74 CO 0.65 0.00 -0.62 0.71 -1.72 0.00 0.00 179.24 178.26 2k0f h THR 75 N 0.00 1.35 -0.32 0.35 1.35 -2.00 -2.42 112.91 111.23 2k0f h THR 75 Ca 0.00 -1.94 -0.02 0.00 -0.55 0.00 0.00 66.41 63.90 2k0f h THR 75 Cb 0.96 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 2k0f h THR 75 CO 0.00 0.59 0.11 0.44 -0.25 0.00 0.00 175.52 176.41 2k0f h ASP 76 N 0.32 0.46 1.57 5.36 3.32 -1.90 -2.80 116.42 122.76 2k0f h ASP 76 Ca -0.01 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2k0f h ASP 76 Cb 1.16 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2k0f h ASP 76 CO 0.11 0.53 0.00 0.77 -1.72 0.00 0.00 179.24 178.92 2k0f h SER 77 N 0.36 0.00 -0.25 6.45 4.64 -1.35 0.38 113.55 123.78 2k0f h SER 77 Ca 0.10 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.25 2k0f h SER 77 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2k0f h SER 77 CO -0.00 0.00 -0.50 -0.08 -0.87 0.00 0.00 176.83 175.38 2k0f h GLU 78 N 0.00 0.82 -0.02 4.77 4.81 -1.35 -1.35 114.58 122.27 2k0f h GLU 78 Ca 0.00 -0.49 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 2k0f h GLU 78 Cb 0.79 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2k0f h GLU 78 CO 0.00 1.13 -0.11 1.49 -0.73 0.00 0.00 179.01 180.79 2k0f h GLU 79 N 0.65 0.10 0.25 1.92 4.57 -1.19 -2.78 114.58 118.10 2k0f h GLU 79 Ca 0.03 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2k0f h GLU 79 Cb 1.09 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2k0f h GLU 79 CO 0.11 0.77 -0.12 1.49 -1.18 0.00 0.00 179.01 180.09 2k0f h GLU 80 N -0.54 -0.32 -0.09 1.92 4.81 -0.26 -0.22 114.58 119.87 2k0f h GLU 80 Ca -0.01 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 80 Cb 0.80 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2k0f h GLU 80 CO 0.02 -0.16 -0.15 0.82 -0.73 0.00 0.00 179.01 178.82 2k0f h ILE 81 N -0.41 1.16 -0.01 2.32 1.08 -1.37 0.71 117.51 120.99 2k0f h ILE 81 Ca -0.03 -0.72 -0.18 0.00 -0.39 0.00 0.00 64.86 63.53 2k0f h ILE 81 Cb 0.31 1.26 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 2k0f h ILE 81 CO 0.06 0.22 -0.80 0.03 -0.69 0.00 0.00 178.15 176.97 2k0f h ARG 82 N 0.14 0.16 0.00 2.37 3.08 -1.24 -1.11 114.38 117.79 2k0f h ARG 82 Ca 0.03 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 2k0f h ARG 82 Cb 0.35 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2k0f h ARG 82 CO 0.02 0.87 -0.12 0.93 -1.07 0.00 0.00 179.97 180.61 2k0f h GLU 83 N 0.10 0.00 -0.55 0.04 4.39 -0.73 -2.61 114.58 115.22 2k0f h GLU 83 Ca -0.03 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 2k0f h GLU 83 Cb 1.39 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 2k0f h GLU 83 CO 0.12 0.12 -0.01 0.00 -1.16 0.00 0.00 179.01 178.08 2k0f h ALA 84 N 1.88 0.74 -0.51 3.43 0.00 -0.84 -3.18 119.26 120.79 2k0f h ALA 84 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2k0f h ALA 84 Cb 1.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2k0f h ALA 84 CO 0.02 0.58 0.32 0.35 0.00 0.00 0.00 179.25 180.51 2k0f h PHE 85 N 0.86 0.65 0.00 0.00 3.04 -0.97 -2.90 116.94 117.61 2k0f h PHE 85 Ca 0.16 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.11 2k0f h PHE 85 Cb 0.55 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.84 2k0f h PHE 85 CO 0.04 0.43 0.00 -2.13 -2.02 0.00 0.00 178.31 174.63 2k0f n ARG 86 N -4.44 0.14 0.03 1.11 0.63 -1.00 -2.21 116.66 110.92 2k0f n ARG 86 Ca 0.04 0.53 -0.11 0.00 -0.92 0.00 0.00 57.85 57.40 2k0f n ARG 86 Cb 0.07 -1.87 -0.13 0.00 0.45 0.00 0.00 32.46 30.97 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k0f h VAL 87 N 0.00 1.19 0.24 5.15 2.07 -1.63 -3.37 116.25 119.90 2k0f h VAL 87 Ca 0.00 -2.93 -0.01 0.00 0.82 0.00 0.00 66.70 64.57 2k0f h VAL 87 Cb 0.15 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2k0f h VAL 87 CO 0.00 0.74 -0.12 -0.26 0.02 0.00 0.00 177.57 177.95 2k0f h PHE 88 N 0.02 -0.30 -1.82 1.57 0.04 -1.59 -3.44 116.94 111.42 2k0f h PHE 88 Ca -0.20 -0.01 -0.59 0.00 2.80 0.00 0.00 57.97 59.97 2k0f h PHE 88 Cb 1.94 0.10 -0.11 0.00 2.20 0.00 0.00 35.95 40.08 2k0f h PHE 88 CO 0.02 -0.07 1.18 0.34 -0.60 0.00 0.00 178.31 179.18 2k0f s ASP 89 N -5.24 6.37 0.27 2.17 2.15 -1.05 -4.79 116.67 116.55 2k0f s ASP 89 Ca -0.08 -1.14 0.01 0.00 0.43 0.00 0.00 52.55 51.77 2k0f s ASP 89 Cb 0.00 -2.53 0.38 0.00 -0.30 0.00 0.00 42.92 40.47 2k0f s ASP 89 CO 0.25 -1.56 1.73 0.50 -0.17 0.00 0.00 175.17 175.92 2k0f h LYS 90 N 9.74 0.58 0.00 4.34 3.11 -1.85 -3.39 116.57 129.09 2k0f h LYS 90 Ca -0.01 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 2k0f h LYS 90 Cb 1.03 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 2k0f h LYS 90 CO 1.32 0.73 0.00 -0.40 -2.81 0.00 0.00 179.45 178.29 2k0f n ASP 91 N -4.15 0.00 0.00 4.20 5.68 -1.26 -5.07 116.55 115.95 2k0f n ASP 91 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 91 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 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 2.94 0.00 0.13 6.12 0.00 -1.26 -5.02 105.19 108.09 2k0f n GLY 92 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.61 0.00 1.61 0.23 -1.26 -4.93 115.26 111.51 2k0f n ASN 93 Ca 0.00 -0.55 0.00 0.00 -0.53 0.00 0.00 54.58 53.50 2k0f n ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 1.34 0.71 2.99 4.83 0.00 -1.26 -5.05 105.19 108.76 2k0f n GLY 94 Ca 0.12 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 0.95 -0.35 1.61 2.02 -1.26 -4.18 117.35 114.14 2k0f s TYR 95 Ca 0.00 -0.24 -0.26 0.00 -0.37 0.00 0.00 57.07 56.20 2k0f s TYR 95 Cb 0.00 -0.69 0.01 0.00 -0.40 0.00 0.00 41.96 40.88 2k0f s TYR 95 CO 0.00 -0.11 0.91 0.42 -1.57 0.00 0.00 175.55 175.20 2k0f s ILE 96 N 0.25 4.63 0.34 2.71 1.01 0.60 -4.85 121.20 125.89 2k0f s ILE 96 Ca -0.04 1.25 -0.00 0.00 0.00 0.00 0.00 60.65 61.85 2k0f s ILE 96 Cb -0.09 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 2k0f s ILE 96 CO 0.01 -0.46 0.56 -0.94 0.00 0.00 0.00 174.94 174.10 2k0f s SER 97 N 1.79 6.31 0.51 3.58 1.04 -1.26 -2.20 113.70 123.47 2k0f s SER 97 Ca 0.37 0.50 0.18 0.00 0.48 0.00 0.00 55.95 57.48 2k0f s SER 97 Cb -0.13 -2.05 1.26 0.00 0.10 0.00 0.00 66.02 65.20 2k0f s SER 97 CO 0.17 -0.29 2.09 0.00 0.98 0.00 0.00 173.24 176.18 2k0f h ALA 98 N 0.84 2.13 0.01 5.32 0.00 -1.94 -0.06 119.26 125.55 2k0f h ALA 98 Ca -0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2k0f h ALA 98 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k0f h ALA 98 CO 0.62 -0.18 -0.00 0.00 0.00 0.00 0.00 179.25 179.68 2k0f h ALA 99 N 1.88 -0.01 -0.68 0.00 0.00 -1.98 -1.54 119.26 116.93 2k0f h ALA 99 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k0f h ALA 99 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2k0f h ALA 99 CO -0.01 -0.50 0.37 0.93 0.00 0.00 0.00 179.25 180.03 2k0f h GLU 100 N -0.01 0.95 -0.22 0.00 5.08 -1.51 -2.18 114.58 116.68 2k0f h GLU 100 Ca -0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2k0f h GLU 100 Cb 0.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2k0f h GLU 100 CO 0.00 0.72 0.11 1.25 -1.00 0.00 0.00 179.01 180.09 2k0f h LEU 101 N 0.93 0.29 -0.62 1.33 5.85 -1.08 -1.33 115.31 120.68 2k0f h LEU 101 Ca 0.24 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2k0f h LEU 101 Cb 0.05 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2k0f h LEU 101 CO -0.04 0.33 0.34 0.03 -0.34 0.00 0.00 178.44 178.76 2k0f h ARG 102 N 0.24 0.61 -0.38 1.25 3.08 -0.70 -0.08 114.38 118.40 2k0f h ARG 102 Ca 0.08 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 2k0f h ARG 102 Cb 0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2k0f h ARG 102 CO -0.01 0.40 -0.40 1.25 -1.07 0.00 0.00 179.97 180.15 2k0f h HIS 103 N 0.63 1.11 -0.03 3.04 2.76 -1.29 -0.62 115.15 120.75 2k0f h HIS 103 Ca 0.28 -0.34 0.01 0.00 -2.20 0.00 0.00 60.37 58.12 2k0f h HIS 103 Cb 0.18 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 2k0f h HIS 103 CO -0.09 1.16 -0.24 0.28 -1.30 0.00 0.00 177.93 177.75 2k0f h VAL 104 N 0.75 0.00 -0.73 5.26 2.07 -1.10 -2.93 116.25 119.57 2k0f h VAL 104 Ca 0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 2k0f h VAL 104 Cb 0.99 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 2k0f h VAL 104 CO 0.10 0.00 0.38 0.24 0.02 0.00 0.00 177.57 178.31 2k0f h MET 105 N -0.28 0.62 0.00 1.57 2.07 -0.74 -0.57 114.93 117.60 2k0f h MET 105 Ca 0.01 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 105 Cb 0.31 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.90 2k0f h MET 105 CO -0.18 0.41 -0.20 -2.37 1.07 0.00 0.00 176.91 175.64 2k0f n THR 106 N -4.84 0.10 -0.03 2.22 5.66 -0.26 -0.80 114.28 116.34 2k0f n THR 106 Ca 0.12 -0.06 0.03 0.00 -3.05 0.00 0.00 64.05 61.09 2k0f n THR 106 Cb 0.27 -0.26 -0.11 0.00 -1.55 0.00 0.00 70.33 68.68 2k0f n THR 106 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2k0f n ASN 107 N -1.65 1.64 -0.07 1.09 3.02 -0.96 -4.37 115.26 113.96 2k0f n ASN 107 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.48 2k0f n ASN 107 Cb 0.36 1.41 -0.06 0.00 -0.61 0.00 0.00 39.78 40.88 2k0f n ASN 107 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2k0f h LEU 108 N 0.00 0.57 0.00 3.41 5.85 -1.08 -3.44 115.31 120.62 2k0f h LEU 108 Ca -0.12 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.13 2k0f h LEU 108 Cb 1.04 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2k0f h LEU 108 CO 0.01 0.93 0.00 0.61 -0.34 0.00 0.00 178.44 179.64 2k0f n GLY 109 N 0.17 0.12 3.52 3.75 0.00 -0.82 -4.88 105.19 107.05 2k0f n GLY 109 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 1.86 -0.29 1.61 0.41 0.02 -4.99 118.70 117.32 2k0f s GLU 110 Ca 0.00 -1.46 -0.08 0.00 -0.41 0.00 0.00 54.97 53.02 2k0f s GLU 110 Cb 0.00 -2.00 -0.00 0.00 -1.78 0.00 0.00 34.13 30.35 2k0f s GLU 110 CO 0.00 0.40 0.11 0.15 -0.49 0.00 0.00 175.26 175.42 2k0f s LYS 111 N -3.02 3.28 -0.64 1.61 1.02 -1.26 -4.17 119.74 116.56 2k0f s LYS 111 Ca 0.25 -0.74 -0.28 0.00 0.02 0.00 0.00 55.97 55.23 2k0f s LYS 111 Cb -0.07 -3.44 0.03 0.00 -0.52 0.00 0.00 37.83 33.82 2k0f s LYS 111 CO 0.14 -0.39 1.22 -0.51 -0.92 0.00 0.00 175.35 174.89 2k0f s LEU 112 N 1.56 3.35 -0.36 3.17 1.43 -1.26 -4.97 118.68 121.60 2k0f s LEU 112 Ca 0.04 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 2k0f s LEU 112 Cb -0.17 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.13 2k0f s LEU 112 CO 0.04 -1.61 1.17 -0.89 0.23 0.00 0.00 176.35 175.29 2k0f s THR 113 N 5.24 4.29 0.14 5.49 2.01 -1.26 -4.97 115.64 126.57 2k0f s THR 113 Ca 0.40 1.43 -0.20 0.00 0.31 0.00 0.00 61.69 63.62 2k0f s THR 113 Cb -0.08 -4.39 0.02 0.00 0.01 0.00 0.00 72.50 68.06 2k0f s THR 113 CO 0.22 -0.65 1.67 -0.78 -0.69 0.00 0.00 174.62 174.39 2k0f h ASP 114 N 8.89 -0.39 -0.92 3.53 3.58 -2.01 -2.51 116.42 126.59 2k0f h ASP 114 Ca -0.23 0.10 0.16 0.00 0.42 0.00 0.00 57.03 57.47 2k0f h ASP 114 Cb 1.07 0.22 -0.16 0.00 1.72 0.00 0.00 39.33 42.18 2k0f h ASP 114 CO 1.06 -0.15 -0.30 1.21 -2.88 0.00 0.00 179.24 178.18 2k0f n GLU 115 N -5.28 -0.16 -0.15 0.28 2.13 -1.26 -1.97 120.64 114.23 2k0f n GLU 115 Ca -0.01 1.42 -0.02 0.00 0.66 0.00 0.00 57.16 59.21 2k0f n GLU 115 Cb 0.20 -2.12 0.21 0.00 0.27 0.00 0.00 31.44 30.00 2k0f n GLU 115 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k0f h GLU 116 N 0.00 0.86 -0.32 5.31 4.81 -1.88 -2.54 114.58 120.83 2k0f h GLU 116 Ca 0.37 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2k0f h GLU 116 Cb 0.60 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 2k0f h GLU 116 CO -0.93 0.72 -0.15 0.28 -0.73 0.00 0.00 179.01 178.21 2k0f h VAL 117 N 0.84 0.54 -0.62 0.32 2.07 -1.28 0.10 116.25 118.23 2k0f h VAL 117 Ca 0.20 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.78 2k0f h VAL 117 Cb 0.20 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 2k0f h VAL 117 CO -0.01 0.00 0.32 0.44 0.02 0.00 0.00 177.57 178.33 2k0f h ASP 118 N -0.09 0.44 -0.24 0.57 3.32 -1.46 -2.89 116.42 116.07 2k0f h ASP 118 Ca 0.16 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.29 2k0f h ASP 118 Cb 0.34 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2k0f h ASP 118 CO -0.38 0.28 0.16 -0.33 -1.72 0.00 0.00 179.24 177.25 2k0f h GLU 119 N 0.58 0.15 -0.01 3.56 4.39 -0.69 -2.61 114.58 119.95 2k0f h GLU 119 Ca 0.29 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.82 2k0f h GLU 119 Cb 0.22 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2k0f h GLU 119 CO -0.20 0.10 -0.70 1.98 -1.16 0.00 0.00 179.01 179.02 2k0f h MET 120 N 0.16 0.06 -0.14 2.33 4.05 -0.65 0.01 114.93 120.75 2k0f h MET 120 Ca 0.10 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 2k0f h MET 120 Cb 0.22 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 2k0f h MET 120 CO -0.02 0.74 -0.00 0.82 0.23 0.00 0.00 176.91 178.68 2k0f h ILE 121 N 0.04 0.90 -0.45 1.77 1.08 -1.44 -2.92 117.51 116.49 2k0f h ILE 121 Ca -0.01 -0.01 -0.10 0.00 -0.39 0.00 0.00 64.86 64.34 2k0f h ILE 121 Cb 1.24 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 2k0f h ILE 121 CO 0.10 0.01 -0.13 0.03 -0.69 0.00 0.00 178.15 177.46 2k0f h ARG 122 N 0.04 0.83 0.00 2.37 3.08 -1.08 -0.42 114.38 119.20 2k0f h ARG 122 Ca 0.06 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2k0f h ARG 122 Cb 0.08 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2k0f h ARG 122 CO -0.11 0.92 0.00 -1.91 -1.07 0.00 0.00 179.97 177.80 2k0f n GLU 123 N -4.15 0.00 -0.28 0.04 2.13 -0.05 -3.62 120.64 114.71 2k0f n GLU 123 Ca 0.01 0.70 0.09 0.00 0.66 0.00 0.00 57.16 58.62 2k0f n GLU 123 Cb 0.39 -1.46 0.22 0.00 0.27 0.00 0.00 31.44 30.86 2k0f n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k0f h ALA 124 N -1.57 1.04 -2.39 4.31 0.00 -1.20 -3.43 119.26 116.01 2k0f h ALA 124 Ca 0.00 0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.59 2k0f h ALA 124 Cb 0.00 0.36 0.04 0.00 0.00 0.00 0.00 17.79 18.18 2k0f h ALA 124 CO 0.00 -0.43 1.11 -3.47 0.00 0.00 0.00 179.25 176.46 2k0f n ASP 125 N -5.27 3.93 -0.09 0.00 2.03 -0.22 -4.90 116.55 112.03 2k0f n ASP 125 Ca 0.17 0.98 -0.09 0.00 0.52 0.00 0.00 54.79 56.37 2k0f n ASP 125 Cb 0.57 -1.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.43 2k0f n ASP 125 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2k0f n ILE 126 N 4.83 1.48 0.00 5.18 2.08 -1.26 -4.89 119.36 126.78 2k0f n ILE 126 Ca 0.19 0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.63 2k0f n ILE 126 Cb 0.36 -2.33 0.00 0.00 -0.75 0.00 0.00 39.64 36.93 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2k0f n ASP 127 N -4.49 0.00 0.00 4.38 5.68 -1.26 -5.02 116.55 115.84 2k0f n ASP 127 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 2k0f n ASP 127 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.85 0.00 0.08 6.12 0.00 -1.26 -5.02 105.19 105.96 2k0f n GLY 128 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.48 116.42 115.60 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 0.87 0.00 0.61 -2.04 0.00 0.00 179.24 178.68 2k0f n GLY 130 N 1.49 0.55 3.15 7.15 0.00 -1.26 -5.07 105.19 111.20 2k0f n GLY 130 Ca -0.13 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.04 1.69 -0.45 1.61 -0.21 -1.26 -4.68 119.66 115.33 2k0f s GLN 131 Ca 0.00 -0.63 -0.20 0.00 0.02 0.00 0.00 55.36 54.55 2k0f s GLN 131 Cb 0.00 -1.52 0.03 0.00 1.00 0.00 0.00 33.01 32.52 2k0f s GLN 131 CO 0.00 0.30 0.61 0.08 -2.12 0.00 0.00 175.29 174.15 2k0f s VAL 132 N -0.12 4.87 0.19 1.09 1.01 -0.93 -4.86 120.40 121.65 2k0f s VAL 132 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2k0f s VAL 132 Cb -0.10 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.12 2k0f s VAL 132 CO 0.01 -0.62 0.25 -0.46 0.00 0.00 0.00 175.10 174.28 2k0f n ASN 133 N 6.15 -0.13 0.34 3.32 0.23 -1.26 -0.29 115.26 123.62 2k0f n ASN 133 Ca -0.03 -1.03 -0.14 0.00 -0.53 0.00 0.00 54.58 52.84 2k0f n ASN 133 Cb 0.47 -0.19 -0.07 0.00 -2.08 0.00 0.00 39.78 37.91 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 -1.22 -0.93 -0.36 -2.53 3.20 -1.98 -3.22 116.97 109.94 2k0f h TYR 134 Ca -0.08 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.82 2k0f h TYR 134 Cb 0.23 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2k0f h TYR 134 CO 0.00 -0.54 0.24 0.93 -1.64 0.00 0.00 178.16 177.15 2k0f h GLU 135 N -0.91 0.27 -0.52 1.82 5.08 -1.97 0.92 114.58 119.28 2k0f h GLU 135 Ca -0.09 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 135 Cb 0.72 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 135 CO 0.11 0.18 0.35 0.93 -1.00 0.00 0.00 179.01 179.58 2k0f h GLU 136 N 0.28 0.26 0.05 2.33 5.08 -1.91 -1.75 114.58 118.91 2k0f h GLU 136 Ca 0.15 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.17 2k0f h GLU 136 Cb 0.26 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2k0f h GLU 136 CO -0.03 0.17 -1.86 0.34 -1.00 0.00 0.00 179.01 176.63 2k0f n PHE 137 N -4.45 0.84 0.00 4.33 7.35 -0.63 -4.37 117.46 120.53 2k0f n PHE 137 Ca 0.08 0.26 -0.18 0.00 -0.76 0.00 0.00 57.45 56.86 2k0f n PHE 137 Cb 0.40 -1.10 -0.13 0.00 0.35 0.00 0.00 39.48 39.00 2k0f n PHE 137 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2k0f h VAL 138 N -0.49 1.57 0.00 -2.13 2.07 -0.76 -3.10 116.25 113.41 2k0f h VAL 138 Ca -0.46 -2.33 -0.04 0.00 0.82 0.00 0.00 66.70 64.70 2k0f h VAL 138 Cb 1.69 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 34.53 2k0f h VAL 138 CO -0.12 0.65 -0.18 -0.61 0.02 0.00 0.00 177.57 177.32 2k0f h GLN 139 N -0.49 0.00 -0.96 1.57 4.15 -1.54 -1.67 115.11 116.17 2k0f h GLN 139 Ca -0.08 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.41 2k0f h GLN 139 Cb 1.35 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.97 2k0f h GLN 139 CO 0.10 0.18 0.61 1.98 -1.93 0.00 0.00 178.83 179.77 2k0f h MET 140 N 0.00 1.06 0.01 1.69 4.05 -1.70 -3.24 114.93 116.80 2k0f h MET 140 Ca -0.00 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 2k0f h MET 140 Cb 0.33 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2k0f h MET 140 CO 0.02 0.70 -0.21 0.52 0.23 0.00 0.00 176.91 178.17 2k0f h MET 141 N 1.09 0.12 0.00 0.39 2.86 -1.38 -3.52 114.93 114.49 2k0f h MET 141 Ca 0.42 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2k0f h MET 141 Cb 0.21 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2k0f h MET 141 CO -0.19 0.95 0.00 0.25 1.06 0.00 0.00 176.91 178.98