#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 -0.34 -0.23 1.09 4.57 -2.05 -2.24 114.58 115.37 2k0f h GLU 2 Ca 0.00 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2k0f h GLU 2 Cb 0.00 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2k0f h GLU 2 CO 0.00 -0.23 0.07 1.49 -1.18 0.00 0.00 179.01 179.16 2k0f h GLU 3 N -0.35 0.35 -0.12 1.92 4.81 -2.06 -2.47 114.58 116.65 2k0f h GLU 3 Ca 0.11 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 3 Cb 0.53 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2k0f h GLU 3 CO -0.39 0.44 0.04 0.37 -0.73 0.00 0.00 179.01 178.74 2k0f h GLN 4 N 0.20 0.19 -0.22 1.92 4.15 -1.98 -2.73 115.11 116.64 2k0f h GLN 4 Ca 0.07 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.33 2k0f h GLN 4 Cb 0.24 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2k0f h GLN 4 CO -0.00 0.33 -0.37 0.82 -1.93 0.00 0.00 178.83 177.68 2k0f h ILE 5 N 0.01 1.29 -0.41 2.39 1.08 -1.44 -2.19 117.51 118.24 2k0f h ILE 5 Ca 0.04 -1.49 0.08 0.00 -0.39 0.00 0.00 64.86 63.10 2k0f h ILE 5 Cb 0.22 1.53 -0.07 0.00 -3.07 0.00 0.00 36.82 35.43 2k0f h ILE 5 CO -0.00 0.47 -0.07 0.00 -0.69 0.00 0.00 178.15 177.86 2k0f h ALA 6 N 1.19 0.31 -0.43 1.87 0.00 -1.31 0.19 119.26 121.07 2k0f h ALA 6 Ca 0.04 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2k0f h ALA 6 Cb 0.83 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2k0f h ALA 6 CO 0.07 -0.44 0.22 0.93 0.00 0.00 0.00 179.25 180.03 2k0f h GLU 7 N 0.03 0.43 -0.12 0.00 5.08 -1.14 -1.37 114.58 117.50 2k0f h GLU 7 Ca 0.20 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 7 Cb 0.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2k0f h GLU 7 CO -0.40 0.28 -0.41 0.74 -1.00 0.00 0.00 179.01 178.22 2k0f h PHE 8 N 0.44 0.64 -0.40 4.33 0.04 -1.11 -2.88 116.94 118.00 2k0f h PHE 8 Ca 0.19 -0.26 0.08 0.00 2.80 0.00 0.00 57.97 60.77 2k0f h PHE 8 Cb 0.09 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 38.05 2k0f h PHE 8 CO -0.10 1.02 -0.11 -0.22 -0.60 0.00 0.00 178.31 178.29 2k0f h LYS 9 N 0.07 -0.02 -0.44 1.51 1.63 -0.47 0.12 116.57 118.97 2k0f h LYS 9 Ca -0.02 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2k0f h LYS 9 Cb 1.04 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.65 2k0f h LYS 9 CO 0.09 -0.01 0.24 0.93 -3.45 0.00 0.00 179.45 177.25 2k0f h GLU 10 N -0.02 0.61 -0.51 1.90 4.39 -1.38 -2.17 114.58 117.40 2k0f h GLU 10 Ca 0.19 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 2k0f h GLU 10 Cb 0.32 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2k0f h GLU 10 CO -0.42 0.48 0.16 0.00 -1.16 0.00 0.00 179.01 178.06 2k0f h ALA 11 N 1.09 1.31 -0.12 3.43 0.00 -1.20 -2.62 119.26 121.15 2k0f h ALA 11 Ca 0.15 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2k0f h ALA 11 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2k0f h ALA 11 CO -0.03 0.50 -0.27 0.35 0.00 0.00 0.00 179.25 179.80 2k0f h PHE 12 N 0.75 0.51 0.00 0.00 3.57 -0.69 -2.92 116.94 118.15 2k0f h PHE 12 Ca 0.17 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 12 Cb 0.22 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2k0f h PHE 12 CO 0.01 0.89 0.00 0.43 -2.23 0.00 0.00 178.31 177.41 2k0f n SER 13 N -4.44 0.48 0.08 0.41 7.64 -0.83 -2.58 113.62 114.38 2k0f n SER 13 Ca -0.07 0.68 -0.08 0.00 1.01 0.00 0.00 58.87 60.41 2k0f n SER 13 Cb 0.46 -0.76 0.03 0.00 -1.01 0.00 0.00 64.21 62.93 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 0.27 -1.11 -3.43 3.38 -1.26 -3.14 115.31 110.02 2k0f h LEU 14 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2k0f h LEU 14 Cb 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2k0f h LEU 14 CO 0.00 0.96 0.00 -0.26 0.09 0.00 0.00 178.44 179.23 2k0f h PHE 15 N 0.13 0.00 -2.86 1.13 0.04 -1.60 -3.43 116.94 110.35 2k0f h PHE 15 Ca -0.03 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.10 2k0f h PHE 15 Cb 1.39 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.47 2k0f h PHE 15 CO 0.03 0.00 -0.39 0.34 -0.60 0.00 0.00 178.31 177.68 2k0f s ASP 16 N -4.91 6.49 0.14 2.17 -1.08 -1.19 -4.34 116.67 113.95 2k0f s ASP 16 Ca 0.02 0.58 -0.10 0.00 -0.52 0.00 0.00 52.55 52.53 2k0f s ASP 16 Cb 0.09 -2.13 -0.06 0.00 -1.46 0.00 0.00 42.92 39.36 2k0f s ASP 16 CO 0.46 0.34 1.41 0.07 0.52 0.00 0.00 175.17 177.97 2k0f h LYS 17 N 5.22 0.82 0.00 4.34 2.10 -1.88 -3.35 116.57 123.83 2k0f h LYS 17 Ca -0.52 -0.53 -0.12 0.00 -2.00 0.00 0.00 60.65 57.48 2k0f h LYS 17 Cb 1.21 0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.59 2k0f h LYS 17 CO 0.62 1.16 -0.71 -0.44 -2.00 0.00 0.00 179.45 178.08 2k0f h ASP 18 N 0.62 0.00 0.00 7.07 3.32 -1.94 -3.48 116.42 122.02 2k0f h ASP 18 Ca 0.01 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.51 2k0f h ASP 18 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2k0f h ASP 18 CO 0.12 1.19 0.00 0.61 -1.72 0.00 0.00 179.24 179.44 2k0f n GLY 19 N 1.53 1.41 0.02 2.75 0.00 -1.26 -5.06 105.19 104.59 2k0f n GLY 19 Ca -0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 2.03 -1.92 -3.49 116.42 114.65 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 20 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 2k0f h ASP 20 CO 0.00 0.25 0.00 0.61 -1.03 0.00 0.00 179.24 179.07 2k0f n GLY 21 N 1.83 0.04 3.06 7.15 0.00 -1.26 -5.11 105.19 110.89 2k0f n GLY 21 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 1.01 -0.17 2.61 -4.23 -1.26 -4.27 115.64 109.33 2k0f s THR 22 Ca 0.00 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.98 2k0f s THR 22 Cb 0.00 -0.88 -0.01 0.00 1.34 0.00 0.00 72.50 72.95 2k0f s THR 22 CO 0.00 0.30 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.67 2k0f s ILE 23 N 0.01 3.28 0.65 2.99 1.01 -0.89 -4.96 121.20 123.30 2k0f s ILE 23 Ca -0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 2k0f s ILE 23 Cb -0.08 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.98 2k0f s ILE 23 CO 0.01 0.48 0.97 0.42 0.00 0.00 0.00 174.94 176.82 2k0f s THR 24 N 0.85 3.18 0.25 2.92 -4.23 -1.26 -2.54 115.64 114.81 2k0f s THR 24 Ca -0.02 -0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.44 2k0f s THR 24 Cb -0.15 -3.31 0.24 0.00 1.34 0.00 0.00 72.50 70.62 2k0f s THR 24 CO 0.01 -0.34 1.87 0.71 -0.54 0.00 0.00 174.62 176.33 2k0f h THR 25 N -0.40 1.09 -0.15 3.99 1.35 -1.94 -1.55 112.91 115.30 2k0f h THR 25 Ca -0.45 -0.37 0.03 0.00 -0.55 0.00 0.00 66.41 65.06 2k0f h THR 25 Cb 1.28 -0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 2k0f h THR 25 CO 0.61 0.20 -0.01 0.11 -0.25 0.00 0.00 175.52 176.19 2k0f h LYS 26 N 1.09 0.04 -0.47 4.72 1.57 -1.98 0.26 116.57 121.81 2k0f h LYS 26 Ca 0.39 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.26 2k0f h LYS 26 Cb 0.12 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 2k0f h LYS 26 CO -0.16 0.03 -0.12 0.93 -0.57 0.00 0.00 179.45 179.56 2k0f h GLU 27 N 0.04 -0.00 0.74 3.15 5.08 -1.89 -0.64 114.58 121.06 2k0f h GLU 27 Ca 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 27 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 27 CO -0.12 -0.00 -0.36 1.25 -1.00 0.00 0.00 179.01 178.78 2k0f h LEU 28 N -0.00 -0.84 -1.05 1.33 5.85 -1.19 -2.57 115.31 116.84 2k0f h LEU 28 Ca 0.22 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.11 2k0f h LEU 28 Cb 0.34 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.49 2k0f h LEU 28 CO -0.48 -0.50 0.62 1.23 -0.34 0.00 0.00 178.44 178.96 2k0f h GLY 29 N -1.17 1.66 -0.04 3.75 0.00 -0.42 -2.90 103.07 103.95 2k0f h GLY 29 Ca -0.10 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 46.89 2k0f h GLY 29 CO 0.17 0.04 -0.47 -0.84 0.00 0.00 0.00 176.54 175.44 2k0f h THR 30 N 0.84 0.08 -0.89 4.70 2.02 -1.02 -2.07 112.91 116.58 2k0f h THR 30 Ca 0.53 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.74 2k0f h THR 30 Cb 0.74 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 2k0f h THR 30 CO -0.32 0.00 0.58 1.62 0.37 0.00 0.00 175.52 177.77 2k0f h VAL 31 N -0.54 1.16 -0.96 3.16 3.04 -1.29 -0.73 116.25 120.09 2k0f h VAL 31 Ca 0.06 -0.39 0.08 0.00 -1.01 0.00 0.00 66.70 65.44 2k0f h VAL 31 Cb 0.66 -0.07 -0.07 0.00 -2.01 0.00 0.00 31.29 29.79 2k0f h VAL 31 CO -0.41 0.21 0.61 0.24 -1.01 0.00 0.00 177.57 177.21 2k0f h MET 32 N 1.13 1.03 -0.11 4.17 2.86 -1.29 -0.99 114.93 121.74 2k0f h MET 32 Ca 0.35 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.81 2k0f h MET 32 Cb -0.02 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 2k0f h MET 32 CO -0.11 0.68 -0.45 0.00 1.06 0.00 0.00 176.91 178.09 2k0f h ARG 33 N 1.06 0.26 -0.68 1.72 3.08 -1.01 0.29 114.38 119.10 2k0f h ARG 33 Ca 0.44 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 2k0f h ARG 33 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2k0f h ARG 33 CO -0.21 0.67 0.18 1.03 -1.07 0.00 0.00 179.97 180.57 2k0f h SER 34 N 0.21 1.02 0.00 7.04 0.87 -0.52 -3.31 113.55 118.86 2k0f h SER 34 Ca 0.01 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2k0f h SER 34 Cb 0.89 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2k0f h SER 34 CO 0.07 0.98 0.00 0.18 -0.53 0.00 0.00 176.83 177.53 2k0f n LEU 35 N -4.29 0.22 0.00 2.23 4.77 -0.43 -4.87 117.00 114.63 2k0f n LEU 35 Ca 0.05 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 2k0f n LEU 35 Cb 0.24 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2k0f n LEU 35 CO 0.42 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2k0f n GLY 36 N 0.11 0.57 3.88 -0.72 0.00 0.99 -5.05 105.19 104.97 2k0f n GLY 36 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 0.91 3.73 -0.19 1.61 -1.52 -1.24 -4.55 119.66 118.41 2k0f s GLN 37 Ca 0.00 0.32 -0.28 0.00 -1.95 0.00 0.00 55.36 53.45 2k0f s GLN 37 Cb 0.00 -2.46 -0.00 0.00 -0.22 0.00 0.00 33.01 30.33 2k0f s GLN 37 CO 0.00 0.03 0.98 1.21 -0.25 0.00 0.00 175.29 177.26 2k0f s ASN 38 N -3.21 7.10 0.97 5.90 3.84 -1.26 -4.14 114.94 124.14 2k0f s ASN 38 Ca 0.49 1.37 -0.13 0.00 0.21 0.00 0.00 52.86 54.79 2k0f s ASN 38 Cb -0.10 -2.52 0.17 0.00 -0.55 0.00 0.00 41.25 38.24 2k0f s ASN 38 CO 0.32 -0.55 1.14 -2.16 -2.79 0.00 0.00 177.10 173.05 2k0f s PRO 39 N 2.67 0.66 -0.45 0.43 0.04 -1.26 -4.99 135.00 132.10 2k0f s PRO 39 Ca 0.44 0.24 -0.18 0.00 0.04 0.00 0.00 61.00 61.53 2k0f s PRO 39 Cb -0.16 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.62 2k0f s PRO 39 CO 0.11 -2.52 0.52 0.99 0.04 0.00 0.00 177.00 176.14 2k0f s THR 40 N -3.23 5.00 0.41 1.26 2.01 -1.26 -4.96 115.64 114.87 2k0f s THR 40 Ca 0.66 -0.32 0.14 0.00 0.31 0.00 0.00 61.69 62.47 2k0f s THR 40 Cb -0.14 -4.13 0.34 0.00 0.01 0.00 0.00 72.50 68.58 2k0f s THR 40 CO 0.54 -0.55 1.92 -0.33 -0.69 0.00 0.00 174.62 175.52 2k0f h GLU 41 N 8.82 0.47 -0.52 4.92 5.08 -1.98 -2.63 114.58 128.73 2k0f h GLU 41 Ca -0.26 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2k0f h GLU 41 Cb 1.10 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 2k0f h GLU 41 CO 0.85 0.31 -0.31 0.00 -1.00 0.00 0.00 179.01 178.86 2k0f n ALA 42 N -2.50 -0.33 0.09 3.43 0.00 -1.26 -0.96 120.51 118.97 2k0f n ALA 42 Ca 0.14 0.44 -0.07 0.00 0.00 0.00 0.00 53.44 53.96 2k0f n ALA 42 Cb 0.48 0.06 0.06 0.00 0.00 0.00 0.00 19.45 20.05 2k0f n ALA 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k0f h GLU 43 N 0.00 0.20 -0.55 0.00 5.08 -1.91 -2.93 114.58 114.47 2k0f h GLU 43 Ca 0.08 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2k0f h GLU 43 Cb 0.21 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 43 CO -0.49 0.85 0.21 1.25 -1.00 0.00 0.00 179.01 179.83 2k0f h LEU 44 N 0.13 0.77 -1.01 1.33 5.85 -1.13 -0.46 115.31 120.78 2k0f h LEU 44 Ca -0.02 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 2k0f h LEU 44 Cb 1.30 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2k0f h LEU 44 CO 0.11 0.74 -0.38 -0.61 -0.34 0.00 0.00 178.44 177.96 2k0f h GLN 45 N 0.75 0.22 -0.27 1.25 4.15 -1.05 -0.53 115.11 119.64 2k0f h GLN 45 Ca 0.18 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 2k0f h GLN 45 Cb 0.22 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2k0f h GLN 45 CO -0.01 0.57 -0.18 0.22 -1.93 0.00 0.00 178.83 177.50 2k0f h ASP 46 N 0.19 0.62 -0.56 -0.69 3.58 -1.18 -2.85 116.42 115.53 2k0f h ASP 46 Ca 0.02 -0.44 0.07 0.00 0.42 0.00 0.00 57.03 57.10 2k0f h ASP 46 Cb 0.76 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.58 2k0f h ASP 46 CO 0.06 0.92 0.25 -0.03 -2.88 0.00 0.00 179.24 177.56 2k0f h MET 47 N 0.32 0.46 0.00 0.28 4.05 -0.96 -2.59 114.93 116.48 2k0f h MET 47 Ca 0.05 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2k0f h MET 47 Cb 0.71 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2k0f h MET 47 CO 0.05 0.30 -0.00 0.97 0.23 0.00 0.00 176.91 178.46 2k0f h ILE 48 N 0.47 0.73 0.00 1.77 6.09 -0.85 -1.88 117.51 123.84 2k0f h ILE 48 Ca 0.27 -0.02 -0.09 0.00 -1.37 0.00 0.00 64.86 63.65 2k0f h ILE 48 Cb 0.25 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 2k0f h ILE 48 CO -0.23 0.00 -0.95 0.78 -3.07 0.00 0.00 178.15 174.69 2k0f h ASN 49 N 0.00 0.00 0.06 2.19 2.35 -1.43 -2.57 115.58 116.19 2k0f h ASN 49 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k0f h ASN 49 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2k0f h ASN 49 CO 0.00 0.33 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.00 2k0f h GLU 50 N 0.00 -0.08 -0.14 0.81 4.57 -1.27 -3.23 114.58 115.25 2k0f h GLU 50 Ca -0.06 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 2k0f h GLU 50 Cb 1.31 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 2k0f h GLU 50 CO 0.03 0.33 -0.47 -0.39 -1.18 0.00 0.00 179.01 177.33 2k0f h VAL 51 N -0.50 1.33 -1.72 0.32 -1.51 -1.48 -3.41 116.25 109.27 2k0f h VAL 51 Ca -0.01 -1.67 -0.47 0.00 -1.23 0.00 0.00 66.70 63.32 2k0f h VAL 51 Cb 0.44 1.74 -0.05 0.00 -2.13 0.00 0.00 31.29 31.29 2k0f h VAL 51 CO 0.01 0.50 1.19 -0.62 -1.23 0.00 0.00 177.57 177.42 2k0f s ASP 52 N -6.88 5.47 -0.16 4.19 2.15 -0.97 -4.85 116.67 115.63 2k0f s ASP 52 Ca -0.05 -0.12 -0.21 0.00 0.43 0.00 0.00 52.55 52.60 2k0f s ASP 52 Cb 0.13 -2.54 -0.18 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 52 CO 0.80 -2.31 0.39 0.00 -0.17 0.00 0.00 175.17 173.88 2k0f h ALA 53 N 13.05 0.08 -0.69 3.66 0.00 -1.82 -3.39 119.26 130.15 2k0f h ALA 53 Ca -0.16 -0.65 0.13 0.00 0.00 0.00 0.00 54.91 54.23 2k0f h ALA 53 Cb 1.10 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 2k0f h ALA 53 CO 1.24 0.27 0.46 0.38 0.00 0.00 0.00 179.25 181.60 2k0f h ASP 54 N -1.00 0.38 0.00 0.00 3.04 -1.93 -3.47 116.42 113.44 2k0f h ASP 54 Ca -0.11 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 2k0f h ASP 54 Cb 0.90 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.13 2k0f h ASP 54 CO -0.07 0.21 0.00 0.61 -2.04 0.00 0.00 179.24 177.95 2k0f n GLY 55 N -1.52 0.95 0.04 7.15 0.00 -1.26 -5.00 105.19 105.55 2k0f n GLY 55 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.64 0.00 1.61 0.23 -1.26 -4.95 115.26 111.53 2k0f n ASN 56 Ca 0.00 -0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 2k0f n ASN 56 Cb 0.00 0.38 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 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 1.38 0.92 3.22 4.83 0.00 -1.26 -5.09 105.19 109.19 2k0f n GLY 57 Ca 0.03 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 1.39 -0.28 2.61 -4.23 -1.26 -4.82 115.64 107.04 2k0f s THR 58 Ca 0.00 -1.42 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 2k0f s THR 58 Cb 0.00 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.54 2k0f s THR 58 CO 0.00 -0.15 1.24 -0.51 -0.54 0.00 0.00 174.62 174.66 2k0f s ILE 59 N -1.24 4.25 0.61 2.99 2.07 -1.05 -4.62 121.20 124.20 2k0f s ILE 59 Ca 0.02 1.44 0.04 0.00 -1.41 0.00 0.00 60.65 60.74 2k0f s ILE 59 Cb -0.10 -4.19 0.08 0.00 0.13 0.00 0.00 42.46 38.38 2k0f s ILE 59 CO 0.03 -0.42 0.84 -1.81 -1.91 0.00 0.00 174.94 171.67 2k0f s ASP 60 N 2.39 4.92 0.09 4.50 1.11 -1.26 -2.09 116.67 126.33 2k0f s ASP 60 Ca 0.53 -0.50 -0.33 0.00 0.18 0.00 0.00 52.55 52.43 2k0f s ASP 60 Cb -0.16 -0.10 -0.15 0.00 1.07 0.00 0.00 42.92 43.57 2k0f s ASP 60 CO 0.20 -1.43 1.59 0.15 1.18 0.00 0.00 175.17 176.86 2k0f h PHE 61 N -0.04 -1.14 0.00 4.23 3.57 -1.96 0.08 116.94 121.68 2k0f h PHE 61 Ca -0.35 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.15 2k0f h PHE 61 Cb 1.28 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.46 2k0f h PHE 61 CO 0.19 -0.58 0.00 -0.35 -2.23 0.00 0.00 178.31 175.33 2k0f n PRO 62 N -5.52 0.13 0.02 6.41 -0.04 -1.26 -0.24 135.00 134.51 2k0f n PRO 62 Ca -0.11 0.36 -0.19 0.00 -0.04 0.00 0.00 63.50 63.52 2k0f n PRO 62 Cb 0.41 -1.75 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.24 -0.42 0.54 5.08 -1.84 0.52 114.58 118.70 2k0f h GLU 63 Ca 0.00 -0.40 0.08 0.00 -1.00 0.00 0.00 59.36 58.04 2k0f h GLU 63 Cb 0.34 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 63 CO 0.00 1.19 -0.37 0.35 -1.00 0.00 0.00 179.01 179.18 2k0f h PHE 64 N -0.51 -1.05 -0.21 4.33 3.57 -0.52 -1.16 116.94 121.38 2k0f h PHE 64 Ca -0.11 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 64 Cb 1.50 0.52 -0.02 0.00 2.79 0.00 0.00 35.95 40.74 2k0f h PHE 64 CO 0.22 -0.41 0.06 -0.07 -2.23 0.00 0.00 178.31 175.88 2k0f h LEU 65 N -0.28 0.07 -0.80 0.59 3.38 -0.53 -0.78 115.31 116.95 2k0f h LEU 65 Ca 0.16 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.28 2k0f h LEU 65 Cb 0.56 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 2k0f h LEU 65 CO -0.57 0.07 0.40 0.74 0.09 0.00 0.00 178.44 179.17 2k0f h THR 66 N 0.16 0.77 -0.20 0.22 2.02 -0.83 0.27 112.91 115.32 2k0f h THR 66 Ca 0.09 -0.21 -0.15 0.00 0.77 0.00 0.00 66.41 66.91 2k0f h THR 66 Cb 0.07 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 2k0f h THR 66 CO -0.10 0.11 -0.50 -0.03 0.37 0.00 0.00 175.52 175.37 2k0f h MET 67 N 0.61 0.56 0.06 6.66 1.85 -0.77 -1.20 114.93 122.70 2k0f h MET 67 Ca 0.42 -0.33 -0.26 0.00 -0.61 0.00 0.00 59.70 58.92 2k0f h MET 67 Cb 0.54 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.58 2k0f h MET 67 CO -0.33 0.93 -1.26 0.52 -0.40 0.00 0.00 176.91 176.37 2k0f h MET 68 N 0.44 0.12 0.36 0.39 2.07 -0.87 -3.37 114.93 114.07 2k0f h MET 68 Ca 0.02 -0.20 -0.02 0.00 -2.07 0.00 0.00 59.70 57.43 2k0f h MET 68 Cb 1.03 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 30.84 2k0f h MET 68 CO 0.10 1.01 -0.18 0.00 1.07 0.00 0.00 176.91 178.91 2k0f h ALA 69 N 0.79 -0.49 -1.98 6.32 0.00 -0.34 -3.45 119.26 120.11 2k0f h ALA 69 Ca -0.12 -0.19 -0.63 0.00 0.00 0.00 0.00 54.91 53.97 2k0f h ALA 69 Cb 1.90 0.19 0.04 0.00 0.00 0.00 0.00 17.79 19.92 2k0f h ALA 69 CO 0.15 -0.56 0.78 0.54 0.00 0.00 0.00 179.25 180.16 2k0f n ARG 70 N -5.14 1.77 -2.86 0.00 1.74 -0.47 -4.99 116.66 106.73 2k0f n ARG 70 Ca -0.09 0.64 -0.33 0.00 -0.77 0.00 0.00 57.85 57.30 2k0f n ARG 70 Cb 0.28 -2.39 -0.07 0.00 -1.02 0.00 0.00 32.46 29.26 2k0f n ARG 70 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2k0f s LYS 71 N 1.76 4.24 0.01 5.56 2.20 -1.26 -4.89 119.74 127.35 2k0f s LYS 71 Ca 0.85 1.08 -0.00 0.00 -0.36 0.00 0.00 55.97 57.55 2k0f s LYS 71 Cb -0.80 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 2k0f s LYS 71 CO 0.46 0.03 0.01 -1.33 -0.36 0.00 0.00 175.35 174.16 2k0f n MET 72 N -0.45 0.47 -1.87 4.03 2.81 -1.26 -5.09 117.12 115.76 2k0f n MET 72 Ca 0.06 -0.02 -0.32 0.00 -1.81 0.00 0.00 57.70 55.61 2k0f n MET 72 Cb 0.53 -0.01 0.03 0.00 -0.71 0.00 0.00 33.22 33.07 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N -2.54 3.12 0.43 0.03 -2.85 -1.26 -4.89 119.74 111.78 2k0f s LYS 73 Ca 0.00 1.16 0.21 0.00 -1.00 0.00 0.00 55.97 56.35 2k0f s LYS 73 Cb -0.00 -2.01 0.98 0.00 -2.06 0.00 0.00 37.83 34.74 2k0f s LYS 73 CO 0.00 -0.96 1.88 -0.44 0.10 0.00 0.00 175.35 175.93 2k0f h ASP 74 N 0.05 0.00 -0.25 0.03 3.32 -1.98 -1.11 116.42 116.48 2k0f h ASP 74 Ca -0.46 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 2k0f h ASP 74 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2k0f h ASP 74 CO 0.57 0.27 -0.12 0.71 -1.72 0.00 0.00 179.24 178.94 2k0f h THR 75 N 0.00 1.30 0.00 0.35 1.35 -1.99 -2.11 112.91 111.81 2k0f h THR 75 Ca -0.00 -1.21 -0.02 0.00 -0.55 0.00 0.00 66.41 64.63 2k0f h THR 75 Cb 0.64 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2k0f h THR 75 CO 0.03 0.38 -0.09 0.44 -0.25 0.00 0.00 175.52 176.03 2k0f h ASP 76 N 0.24 0.00 -0.18 5.36 5.19 -1.82 -1.94 116.42 123.28 2k0f h ASP 76 Ca 0.05 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.41 2k0f h ASP 76 Cb 0.63 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.14 2k0f h ASP 76 CO 0.04 0.09 -0.09 0.28 -3.12 0.00 0.00 179.24 176.44 2k0f h SER 77 N 0.00 0.39 -0.20 6.45 0.02 -0.96 -1.28 113.55 117.97 2k0f h SER 77 Ca -0.00 -0.41 -0.13 0.00 -0.84 0.00 0.00 61.79 60.41 2k0f h SER 77 Cb 0.79 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2k0f h SER 77 CO 0.01 0.71 -0.34 -0.08 -1.14 0.00 0.00 176.83 175.99 2k0f h GLU 78 N 0.06 0.71 -0.46 3.45 4.81 -1.29 -3.12 114.58 118.73 2k0f h GLU 78 Ca 0.04 -0.34 -0.07 0.00 -0.13 0.00 0.00 59.36 58.86 2k0f h GLU 78 Cb 0.56 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 78 CO 0.03 0.95 0.01 1.49 -0.73 0.00 0.00 179.01 180.76 2k0f h GLU 79 N 0.60 0.76 -0.98 1.92 4.57 -1.36 -2.76 114.58 117.32 2k0f h GLU 79 Ca 0.06 -0.19 0.10 0.00 -1.18 0.00 0.00 59.36 58.15 2k0f h GLU 79 Cb 0.87 -0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.29 2k0f h GLU 79 CO 0.08 0.76 0.63 1.49 -1.18 0.00 0.00 179.01 180.78 2k0f h GLU 80 N 0.71 0.99 0.15 1.92 4.81 -1.16 0.46 114.58 122.45 2k0f h GLU 80 Ca 0.14 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 59.09 2k0f h GLU 80 Cb 0.42 -0.22 0.03 0.00 0.63 0.00 0.00 28.75 29.60 2k0f h GLU 80 CO 0.02 0.65 -0.95 0.82 -0.73 0.00 0.00 179.01 178.82 2k0f h ILE 81 N 1.01 1.45 -0.97 2.32 1.08 -1.60 0.04 117.51 120.85 2k0f h ILE 81 Ca 0.46 -2.53 0.16 0.00 -0.39 0.00 0.00 64.86 62.57 2k0f h ILE 81 Cb 0.40 3.10 -0.10 0.00 -3.07 0.00 0.00 36.82 37.15 2k0f h ILE 81 CO -0.22 0.73 0.57 0.03 -0.69 0.00 0.00 178.15 178.57 2k0f h ARG 82 N -0.21 0.77 -0.10 2.37 2.47 -1.39 -0.23 114.38 118.05 2k0f h ARG 82 Ca -0.16 -0.05 -0.16 0.00 -1.26 0.00 0.00 59.98 58.35 2k0f h ARG 82 Cb 1.74 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.87 2k0f h ARG 82 CO 0.18 0.51 -0.64 0.93 0.56 0.00 0.00 179.97 181.51 2k0f h GLU 83 N 0.79 0.37 -0.22 0.04 4.39 -0.93 -2.75 114.58 116.28 2k0f h GLU 83 Ca 0.53 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 60.01 2k0f h GLU 83 Cb 0.72 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.35 2k0f h GLU 83 CO -0.35 0.89 -0.40 0.00 -1.16 0.00 0.00 179.01 178.00 2k0f h ALA 84 N 1.04 -0.48 -0.85 3.43 0.00 -0.69 -2.60 119.26 119.11 2k0f h ALA 84 Ca -0.01 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.06 2k0f h ALA 84 Cb 1.19 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 2k0f h ALA 84 CO 0.11 -0.87 0.56 0.35 0.00 0.00 0.00 179.25 179.39 2k0f h PHE 85 N -0.42 0.73 0.00 0.00 3.57 -1.04 -2.00 116.94 117.79 2k0f h PHE 85 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2k0f h PHE 85 Cb 0.60 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2k0f h PHE 85 CO -0.51 0.27 0.00 -0.09 -2.23 0.00 0.00 178.31 175.76 2k0f h ARG 86 N 0.62 0.00 0.00 1.11 2.43 -1.15 -1.22 114.38 116.17 2k0f h ARG 86 Ca 0.43 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.36 2k0f h ARG 86 Cb 0.75 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.32 2k0f h ARG 86 CO -0.18 0.00 -0.90 0.28 -1.51 0.00 0.00 179.97 177.65 2k0f h VAL 87 N 0.00 1.33 0.00 0.20 2.07 -1.29 -3.38 116.25 115.17 2k0f h VAL 87 Ca 0.00 -2.20 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 2k0f h VAL 87 Cb 0.31 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2k0f h VAL 87 CO 0.00 0.67 -0.17 -0.26 0.02 0.00 0.00 177.57 177.83 2k0f h PHE 88 N 0.23 0.00 -2.89 1.57 0.04 -1.31 -3.44 116.94 111.13 2k0f h PHE 88 Ca -0.11 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.08 2k0f h PHE 88 Cb 1.58 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.69 2k0f h PHE 88 CO 0.12 0.27 1.20 0.34 -0.60 0.00 0.00 178.31 179.64 2k0f s ASP 89 N -5.79 6.08 -0.03 2.17 2.15 -0.88 -4.70 116.67 115.67 2k0f s ASP 89 Ca -0.08 1.16 -0.00 0.00 0.43 0.00 0.00 52.55 54.05 2k0f s ASP 89 Cb 0.00 -2.53 -0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2k0f s ASP 89 CO 0.20 -1.59 -0.01 0.50 -0.17 0.00 0.00 175.17 174.11 2k0f h LYS 90 N 11.99 0.00 -0.82 4.34 1.63 -1.88 -3.41 116.57 128.42 2k0f h LYS 90 Ca -0.32 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.56 2k0f h LYS 90 Cb 1.15 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.68 2k0f h LYS 90 CO 1.05 0.00 -0.48 -0.40 -3.45 0.00 0.00 179.45 176.17 2k0f n ASP 91 N -2.73 -0.87 0.00 4.20 5.68 -1.26 -4.92 116.55 116.65 2k0f n ASP 91 Ca -0.00 1.50 0.00 0.00 -0.50 0.00 0.00 54.79 55.78 2k0f n ASP 91 Cb 0.01 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 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 -1.20 1.96 0.41 6.12 0.00 -1.26 -5.02 105.19 106.19 2k0f n GLY 92 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 1.54 -0.61 1.61 6.94 -1.26 -4.94 115.26 118.54 2k0f n ASN 93 Ca 0.00 -1.25 -0.05 0.00 -0.02 0.00 0.00 54.58 53.26 2k0f n ASN 93 Cb 0.00 0.20 -0.00 0.00 -2.36 0.00 0.00 39.78 37.62 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.34 0.19 2.84 4.83 0.00 -1.26 -5.04 105.19 108.09 2k0f n GLY 94 Ca 0.12 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.27 -0.15 -0.34 1.61 2.02 -1.26 -4.45 117.35 112.51 2k0f s TYR 95 Ca 0.00 0.55 -0.29 0.00 -0.37 0.00 0.00 57.07 56.96 2k0f s TYR 95 Cb 0.00 -0.25 0.01 0.00 -0.40 0.00 0.00 41.96 41.32 2k0f s TYR 95 CO 0.00 -0.24 1.33 0.42 -1.57 0.00 0.00 175.55 175.48 2k0f s ILE 96 N 2.06 4.07 0.51 2.71 1.01 -0.97 -4.83 121.20 125.76 2k0f s ILE 96 Ca 0.01 1.17 0.04 0.00 0.00 0.00 0.00 60.65 61.87 2k0f s ILE 96 Cb -0.12 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.19 2k0f s ILE 96 CO -0.05 -0.59 0.70 -0.94 0.00 0.00 0.00 174.94 174.06 2k0f s SER 97 N 3.13 5.37 0.27 3.58 1.04 -1.26 -2.05 113.70 123.78 2k0f s SER 97 Ca 0.57 -0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.72 2k0f s SER 97 Cb -0.15 -0.67 0.36 0.00 0.10 0.00 0.00 66.02 65.66 2k0f s SER 97 CO 0.26 -1.04 1.90 0.00 0.98 0.00 0.00 173.24 175.35 2k0f h ALA 98 N 0.28 1.29 -0.09 5.32 0.00 -1.96 -0.49 119.26 123.60 2k0f h ALA 98 Ca -0.40 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.41 2k0f h ALA 98 Cb 1.29 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2k0f h ALA 98 CO 0.48 0.58 -0.29 0.00 0.00 0.00 0.00 179.25 180.02 2k0f h ALA 99 N 1.39 -0.66 -0.79 0.00 0.00 -1.99 0.51 119.26 117.72 2k0f h ALA 99 Ca 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2k0f h ALA 99 Cb 0.02 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2k0f h ALA 99 CO -0.05 -0.77 0.43 0.93 0.00 0.00 0.00 179.25 179.79 2k0f h GLU 100 N -0.30 1.10 0.03 0.00 5.08 -1.82 -1.60 114.58 117.07 2k0f h GLU 100 Ca 0.02 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 100 Cb 0.35 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2k0f h GLU 100 CO -0.24 0.81 -0.23 1.25 -1.00 0.00 0.00 179.01 179.60 2k0f h LEU 101 N 1.10 -0.67 -0.44 1.33 5.85 -1.00 -1.76 115.31 119.73 2k0f h LEU 101 Ca 0.28 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.98 2k0f h LEU 101 Cb 0.03 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2k0f h LEU 101 CO -0.04 -0.30 -0.15 -0.09 -0.34 0.00 0.00 178.44 177.51 2k0f h ARG 102 N -0.38 0.88 -0.40 1.25 2.43 -0.16 -1.37 114.38 116.61 2k0f h ARG 102 Ca 0.05 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 2k0f h ARG 102 Cb 0.44 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2k0f h ARG 102 CO -0.18 1.00 0.20 0.45 -1.51 0.00 0.00 179.97 179.93 2k0f h HIS 103 N 0.71 0.55 0.73 2.20 3.86 -1.23 -1.19 115.15 120.77 2k0f h HIS 103 Ca 0.10 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2k0f h HIS 103 Cb 0.71 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.00 2k0f h HIS 103 CO 0.05 0.40 -0.40 0.28 0.86 0.00 0.00 177.93 179.13 2k0f h VAL 104 N 0.56 0.00 -0.25 2.45 2.07 -1.18 -3.15 116.25 116.76 2k0f h VAL 104 Ca 0.14 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.54 2k0f h VAL 104 Cb 0.06 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 2k0f h VAL 104 CO -0.02 0.00 -0.36 0.24 0.02 0.00 0.00 177.57 177.45 2k0f h MET 105 N -1.04 0.54 -0.17 1.57 2.86 -0.60 0.26 114.93 118.35 2k0f h MET 105 Ca -0.10 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 2k0f h MET 105 Cb 0.82 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2k0f h MET 105 CO 0.13 0.83 0.08 1.15 1.06 0.00 0.00 176.91 180.16 2k0f h THR 106 N 0.46 1.13 0.00 2.22 2.02 -1.16 0.12 112.91 117.70 2k0f h THR 106 Ca 0.05 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 2k0f h THR 106 Cb 0.84 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2k0f h THR 106 CO 0.07 0.13 -0.15 0.78 0.37 0.00 0.00 175.52 176.71 2k0f h ASN 107 N 0.15 0.00 0.18 4.18 2.35 -1.37 -3.23 115.58 117.84 2k0f h ASN 107 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2k0f h ASN 107 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2k0f h ASN 107 CO -0.01 0.15 -0.09 0.25 -1.65 0.00 0.00 177.43 176.09 2k0f h LEU 108 N 0.00 -0.20 0.00 1.61 7.12 -0.30 -3.41 115.31 120.12 2k0f h LEU 108 Ca -0.00 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.87 2k0f h LEU 108 Cb 0.63 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.81 2k0f h LEU 108 CO 0.02 0.32 0.00 0.61 -0.13 0.00 0.00 178.44 179.26 2k0f n GLY 109 N 1.03 0.00 3.15 3.75 0.00 -0.08 -4.94 105.19 108.09 2k0f n GLY 109 Ca -0.05 0.00 -0.29 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 2.39 -0.05 1.61 2.56 0.21 -4.98 118.70 120.43 2k0f s GLU 110 Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 54.97 54.14 2k0f s GLU 110 Cb 0.00 -1.89 -0.05 0.00 2.00 0.00 0.00 34.13 34.19 2k0f s GLU 110 CO 0.00 0.16 0.35 0.21 -0.56 0.00 0.00 175.26 175.42 2k0f s LYS 111 N 0.36 3.91 -0.05 4.30 2.47 -1.26 -3.07 119.74 126.41 2k0f s LYS 111 Ca -0.14 0.28 0.05 0.00 -1.56 0.00 0.00 55.97 54.60 2k0f s LYS 111 Cb -0.16 -3.26 -0.00 0.00 -1.46 0.00 0.00 37.83 32.95 2k0f s LYS 111 CO 0.06 0.61 -0.19 -0.51 0.16 0.00 0.00 175.35 175.47 2k0f s LEU 112 N -0.73 1.96 0.59 5.43 1.43 -1.26 -5.08 118.68 121.02 2k0f s LEU 112 Ca 0.21 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 2k0f s LEU 112 Cb -0.15 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2k0f s LEU 112 CO 0.10 0.17 0.97 0.42 0.23 0.00 0.00 176.35 178.25 2k0f s THR 113 N 0.02 4.56 0.46 5.49 -4.23 -1.26 -4.94 115.64 115.75 2k0f s THR 113 Ca -0.05 0.62 0.31 0.00 -1.18 0.00 0.00 61.69 61.39 2k0f s THR 113 Cb -0.13 -3.80 0.51 0.00 1.34 0.00 0.00 72.50 70.42 2k0f s THR 113 CO 0.03 -0.98 1.69 0.44 -0.54 0.00 0.00 174.62 175.26 2k0f h ASP 114 N -0.22 0.22 -0.01 3.99 3.32 -2.00 -1.69 116.42 120.02 2k0f h ASP 114 Ca -0.45 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.55 2k0f h ASP 114 Cb 1.20 0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.82 2k0f h ASP 114 CO 0.62 -0.05 -0.49 -0.08 -1.72 0.00 0.00 179.24 177.52 2k0f h GLU 115 N 0.14 0.35 -0.31 3.56 4.81 -1.99 -2.88 114.58 118.26 2k0f h GLU 115 Ca 0.73 -0.36 -0.11 0.00 -0.13 0.00 0.00 59.36 59.48 2k0f h GLU 115 Cb 2.38 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.85 2k0f h GLU 115 CO -0.26 1.04 -0.28 0.93 -0.73 0.00 0.00 179.01 179.72 2k0f h GLU 116 N -0.19 0.64 0.11 1.92 5.08 -1.79 -2.36 114.58 117.99 2k0f h GLU 116 Ca -0.06 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2k0f h GLU 116 Cb 1.20 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2k0f h GLU 116 CO 0.10 0.85 -0.36 0.28 -1.00 0.00 0.00 179.01 178.88 2k0f h VAL 117 N 0.55 0.25 -0.66 3.13 2.07 -1.29 -0.97 116.25 119.33 2k0f h VAL 117 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2k0f h VAL 117 Cb 0.76 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 2k0f h VAL 117 CO 0.06 0.00 0.35 -0.78 0.02 0.00 0.00 177.57 177.22 2k0f h ASP 118 N -0.58 0.50 0.88 0.57 3.58 -1.40 -2.20 116.42 117.76 2k0f h ASP 118 Ca 0.03 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 2k0f h ASP 118 Cb 0.62 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2k0f h ASP 118 CO -0.22 0.31 -0.26 -0.08 -2.88 0.00 0.00 179.24 176.11 2k0f h GLU 119 N 0.64 0.00 -0.04 0.28 4.81 -1.17 0.27 114.58 119.37 2k0f h GLU 119 Ca 0.31 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.31 2k0f h GLU 119 Cb 0.24 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.62 2k0f h GLU 119 CO -0.21 0.26 -0.89 0.52 -0.73 0.00 0.00 179.01 177.97 2k0f h MET 120 N 0.00 0.52 -0.13 1.92 2.86 -1.00 -1.91 114.93 117.20 2k0f h MET 120 Ca -0.00 -0.51 -0.08 0.00 -2.06 0.00 0.00 59.70 57.05 2k0f h MET 120 Cb 0.77 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 2k0f h MET 120 CO 0.03 1.14 -0.21 0.82 1.06 0.00 0.00 176.91 179.75 2k0f h ILE 121 N 0.32 1.37 -0.19 -1.22 1.08 -0.65 -1.87 117.51 116.36 2k0f h ILE 121 Ca -0.07 -1.46 0.03 0.00 -0.39 0.00 0.00 64.86 62.97 2k0f h ILE 121 Cb 1.51 2.02 -0.03 0.00 -3.07 0.00 0.00 36.82 37.25 2k0f h ILE 121 CO 0.16 0.43 -0.02 0.03 -0.69 0.00 0.00 178.15 178.06 2k0f h ARG 122 N -0.04 0.03 -0.23 2.37 3.08 -0.60 0.14 114.38 119.15 2k0f h ARG 122 Ca 0.01 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.10 2k0f h ARG 122 Cb 0.79 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.76 2k0f h ARG 122 CO 0.05 0.02 -0.54 1.49 -1.07 0.00 0.00 179.97 179.92 2k0f h GLU 123 N 0.04 -0.50 0.18 0.04 4.81 -1.33 -3.30 114.58 114.52 2k0f h GLU 123 Ca 0.09 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2k0f h GLU 123 Cb 0.12 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2k0f h GLU 123 CO -0.17 -0.33 -0.27 0.00 -0.73 0.00 0.00 179.01 177.51 2k0f h ALA 124 N -0.18 -0.49 -2.39 2.92 0.00 -0.87 -3.44 119.26 114.81 2k0f h ALA 124 Ca 0.05 -0.06 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 124 Cb 0.65 0.41 0.05 0.00 0.00 0.00 0.00 17.79 18.91 2k0f h ALA 124 CO -0.49 -0.82 0.95 -3.47 0.00 0.00 0.00 179.25 175.42 2k0f n ASP 125 N -5.38 3.55 -0.11 0.00 2.03 -0.00 -4.87 116.55 111.76 2k0f n ASP 125 Ca -0.07 1.05 -0.21 0.00 0.52 0.00 0.00 54.79 56.07 2k0f n ASP 125 Cb 0.29 -1.48 -0.08 0.00 -0.72 0.00 0.00 41.12 39.13 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 4.00 1.19 0.00 5.18 5.41 -1.26 -4.87 119.36 129.01 2k0f n ILE 126 Ca 0.18 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.59 2k0f n ILE 126 Cb 0.32 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -3.77 0.00 0.00 4.38 5.68 -1.26 -5.02 116.55 116.56 2k0f n ASP 127 Ca -0.42 0.43 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 2k0f n ASP 127 Cb 0.83 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 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 0.67 0.00 0.13 6.12 0.00 -1.26 -5.05 105.19 105.81 2k0f n GLY 128 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.00 0.00 1.61 2.03 -1.98 -3.47 116.42 114.61 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.65 0.00 0.61 -1.03 0.00 0.00 179.24 179.47 2k0f n GLY 130 N 0.55 0.76 3.89 7.15 0.00 -1.26 -5.06 105.19 111.21 2k0f n GLY 130 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.63 3.52 -0.37 1.61 -0.21 -1.26 -4.65 119.66 117.67 2k0f s GLN 131 Ca 0.00 -0.17 -0.18 0.00 0.02 0.00 0.00 55.36 55.02 2k0f s GLN 131 Cb 0.00 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.93 2k0f s GLN 131 CO 0.00 0.66 0.51 0.08 -2.12 0.00 0.00 175.29 174.43 2k0f s VAL 132 N -1.30 5.01 0.72 1.09 1.01 -0.87 -4.79 120.40 121.26 2k0f s VAL 132 Ca 0.27 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 2k0f s VAL 132 Cb -0.13 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.28 2k0f s VAL 132 CO 0.17 -0.28 1.07 0.21 0.00 0.00 0.00 175.10 176.26 2k0f s ASN 133 N 1.79 5.17 0.14 3.32 2.47 -1.26 -2.29 114.94 124.27 2k0f s ASN 133 Ca 0.18 1.64 -0.20 0.00 0.42 0.00 0.00 52.86 54.90 2k0f s ASN 133 Cb -0.15 -2.48 0.01 0.00 -1.45 0.00 0.00 41.25 37.17 2k0f s ASN 133 CO 0.14 -1.59 1.68 0.22 -3.72 0.00 0.00 177.10 173.83 2k0f h TYR 134 N -0.82 -0.26 -0.95 0.43 3.20 -1.98 0.48 116.97 117.07 2k0f h TYR 134 Ca -0.44 0.02 0.27 0.00 3.14 0.00 0.00 58.73 61.73 2k0f h TYR 134 Cb 1.22 0.15 -0.14 0.00 1.54 0.00 0.00 36.73 39.50 2k0f h TYR 134 CO 0.60 -0.17 0.43 1.49 -1.64 0.00 0.00 178.16 178.88 2k0f h GLU 135 N -0.08 0.31 -0.01 1.82 4.81 -1.97 0.31 114.58 119.76 2k0f h GLU 135 Ca 0.12 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 135 Cb 0.26 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2k0f h GLU 135 CO -0.28 0.20 -0.82 0.93 -0.73 0.00 0.00 179.01 178.31 2k0f h GLU 136 N 0.32 0.19 0.69 1.92 5.08 -1.74 -2.74 114.58 118.30 2k0f h GLU 136 Ca 0.64 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.78 2k0f h GLU 136 Cb 1.36 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.67 2k0f h GLU 136 CO -0.60 0.91 -0.33 0.35 -1.00 0.00 0.00 179.01 178.33 2k0f h PHE 137 N 0.11 -0.86 -0.08 4.33 3.57 -0.33 -3.11 116.94 120.57 2k0f h PHE 137 Ca -0.03 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.35 2k0f h PHE 137 Cb 1.43 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.44 2k0f h PHE 137 CO 0.03 -0.52 -0.40 -0.24 -2.23 0.00 0.00 178.31 174.95 2k0f h VAL 138 N -1.22 1.30 -0.12 1.41 3.04 -0.45 0.17 116.25 120.38 2k0f h VAL 138 Ca -0.09 -1.45 -0.00 0.00 -1.01 0.00 0.00 66.70 64.14 2k0f h VAL 138 Cb 0.72 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 2k0f h VAL 138 CO 0.16 0.43 0.07 1.56 -1.01 0.00 0.00 177.57 178.77 2k0f h GLN 139 N 0.14 0.16 0.20 4.17 4.20 -1.63 -1.43 115.11 120.92 2k0f h GLN 139 Ca 0.01 -0.01 -0.33 0.00 0.06 0.00 0.00 58.65 58.39 2k0f h GLN 139 Cb 0.76 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 28.53 2k0f h GLN 139 CO 0.06 0.12 -1.52 1.98 -0.67 0.00 0.00 178.83 178.80 2k0f h MET 140 N 0.17 0.41 0.01 1.46 4.05 -0.69 -3.36 114.93 116.98 2k0f h MET 140 Ca 0.04 -0.71 -0.23 0.00 -0.28 0.00 0.00 59.70 58.52 2k0f h MET 140 Cb 0.00 0.26 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 2k0f h MET 140 CO -0.01 1.32 -1.16 0.52 0.23 0.00 0.00 176.91 177.82 2k0f h MET 141 N 0.11 0.03 0.00 0.39 2.86 -0.59 -3.51 114.93 114.22 2k0f h MET 141 Ca -0.26 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2k0f h MET 141 Cb 2.10 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.78 2k0f h MET 141 CO 0.22 0.93 0.00 0.25 1.06 0.00 0.00 176.91 179.37