#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4h n ALA 3 N 0.00 0.21 -1.00 4.61 0.00 -1.26 -5.15 120.51 117.92 2k4h n ALA 3 Ca 0.00 -1.22 0.09 0.00 0.00 0.00 0.00 53.44 52.30 2k4h n ALA 3 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 2k4h n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2k4h n ARG 4 N -0.30 -1.26 -0.18 0.00 0.63 -1.26 -4.94 116.66 109.34 2k4h n ARG 4 Ca -0.03 0.83 0.02 0.00 -0.92 0.00 0.00 57.85 57.76 2k4h n ARG 4 Cb 0.79 -1.54 -0.01 0.00 0.45 0.00 0.00 32.46 32.15 2k4h n ARG 4 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2k4h n ASN 5 N -3.81 -4.63 -4.57 6.15 2.85 -1.26 -4.70 115.26 105.29 2k4h n ASN 5 Ca 0.00 0.20 -0.39 0.00 -0.11 0.00 0.00 54.58 54.28 2k4h n ASN 5 Cb 0.29 -0.58 0.04 0.00 1.24 0.00 0.00 39.78 40.77 2k4h n ASN 5 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2k4h n SER 6 N -3.47 0.28 -0.12 1.20 3.41 -1.26 -4.96 113.62 108.70 2k4h n SER 6 Ca 0.00 0.83 -0.22 0.00 -0.26 0.00 0.00 58.87 59.22 2k4h n SER 6 Cb 0.08 -1.31 -0.08 0.00 -0.26 0.00 0.00 64.21 62.64 2k4h n SER 6 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2k4h n VAL 7 N -1.45 1.52 -0.65 -3.33 0.31 -1.26 -4.93 118.33 108.53 2k4h n VAL 7 Ca 0.12 -0.16 -0.30 0.00 -0.01 0.00 0.00 64.34 63.99 2k4h n VAL 7 Cb 0.46 -2.04 0.27 0.00 -0.91 0.00 0.00 33.84 31.62 2k4h n VAL 7 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2k4h n LEU 8 N -4.36 0.00 -4.64 7.52 4.77 -1.26 -5.02 117.00 114.00 2k4h n LEU 8 Ca -0.38 -1.03 -0.30 0.00 -0.03 0.00 0.00 56.01 54.27 2k4h n LEU 8 Cb 0.72 -1.01 0.23 0.00 -2.33 0.00 0.00 43.42 41.03 2k4h n LEU 8 CO 0.11 -2.51 0.66 -0.13 -1.33 0.00 0.00 177.39 174.18 2k4h s ARG 9 N -5.31 -0.85 0.02 3.23 0.52 -1.26 -4.72 118.95 110.59 2k4h s ARG 9 Ca 0.70 -0.07 -0.25 0.00 -0.52 0.00 0.00 55.73 55.58 2k4h s ARG 9 Cb -0.09 -1.64 -0.17 0.00 0.52 0.00 0.00 34.95 33.56 2k4h s ARG 9 CO 0.56 -3.46 1.35 0.78 0.02 0.00 0.00 175.30 174.54 2k4h h GLY 10 N -2.40 -0.31 0.61 -3.53 0.00 -1.98 0.17 103.07 95.62 2k4h h GLY 10 Ca -0.46 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.03 2k4h h GLY 10 CO 0.37 -0.11 -0.05 1.70 0.00 0.00 0.00 176.54 178.44 2k4h h LYS 11 N -0.59 -0.00 -0.50 4.80 3.64 -2.01 -1.81 116.57 120.10 2k4h h LYS 11 Ca -0.03 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2k4h h LYS 11 Cb 0.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2k4h h LYS 11 CO 0.05 -0.00 0.16 0.87 -2.27 0.00 0.00 179.45 178.26 2k4h h LYS 12 N -0.00 0.77 -0.62 1.90 1.57 -1.93 -2.93 116.57 115.32 2k4h h LYS 12 Ca 0.09 -0.16 0.12 0.00 -1.87 0.00 0.00 60.65 58.83 2k4h h LYS 12 Cb 0.15 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.26 2k4h h LYS 12 CO -0.20 0.72 0.16 0.00 -0.57 0.00 0.00 179.45 179.55 2k4h h ALA 13 N 1.02 0.76 0.43 3.86 0.00 -0.22 -1.42 119.26 123.70 2k4h h ALA 13 Ca 0.16 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2k4h h ALA 13 Cb 0.26 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k4h h ALA 13 CO -0.01 -0.29 -0.38 -0.44 0.00 0.00 0.00 179.25 178.14 2k4h h ASP 14 N 0.29 -1.01 -0.88 0.00 3.32 -1.16 -0.16 116.42 116.82 2k4h h ASP 14 Ca 0.33 0.08 0.22 0.00 0.02 0.00 0.00 57.03 57.68 2k4h h ASP 14 Cb 0.49 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 2k4h h ASP 14 CO -0.40 -0.54 0.60 -0.33 -1.72 0.00 0.00 179.24 176.85 2k4h h GLU 15 N -0.82 0.23 -0.07 3.56 3.07 -1.30 0.31 114.58 119.56 2k4h h GLU 15 Ca -0.04 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 2k4h h GLU 15 Cb 0.71 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2k4h h GLU 15 CO -0.03 0.15 -0.15 1.25 -1.40 0.00 0.00 179.01 178.83 2k4h h LEU 16 N 0.24 0.26 0.00 1.33 7.12 -0.44 -2.70 115.31 121.13 2k4h h LEU 16 Ca 0.44 -0.57 0.00 0.00 0.13 0.00 0.00 57.88 57.89 2k4h h LEU 16 Cb 1.35 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.40 2k4h h LEU 16 CO -0.11 0.78 0.00 -0.62 -0.13 0.00 0.00 178.44 178.36 2k4h n GLU 17 N -4.60 0.39 -0.09 1.25 1.02 -0.15 -3.50 120.64 114.97 2k4h n GLU 17 Ca -0.08 0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 56.94 2k4h n GLU 17 Cb 0.38 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.20 2k4h n GLU 17 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2k4h h ARG 18 N 0.00 0.00 -6.55 3.49 9.65 -0.33 -3.43 114.38 117.22 2k4h h ARG 18 Ca 0.00 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 58.28 2k4h h ARG 18 Cb 0.22 0.00 0.09 0.00 -1.39 0.00 0.00 29.97 28.89 2k4h h ARG 18 CO 0.00 0.85 0.43 -0.89 2.80 0.00 0.00 179.97 183.16 2k4h n ILE 19 N -4.52 1.36 -3.40 1.20 5.41 -1.03 -4.93 119.36 113.45 2k4h n ILE 19 Ca -0.22 -0.34 -0.38 0.00 1.00 0.00 0.00 62.75 62.81 2k4h n ILE 19 Cb 0.55 -1.28 -0.06 0.00 -0.71 0.00 0.00 39.64 38.14 2k4h n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4h s ARG 20 N -0.92 4.06 0.58 0.38 0.52 -1.17 -3.38 118.95 119.02 2k4h s ARG 20 Ca 0.65 0.55 0.28 0.00 -0.52 0.00 0.00 55.73 56.69 2k4h s ARG 20 Cb -0.68 -3.24 1.62 0.00 0.52 0.00 0.00 34.95 33.17 2k4h s ARG 20 CO 0.55 0.65 2.09 -0.07 0.02 0.00 0.00 175.30 178.53 2k4h h LEU 21 N 4.73 0.00 -7.75 2.53 3.38 -1.31 -0.67 115.31 116.22 2k4h h LEU 21 Ca -0.50 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 2k4h h LEU 21 Cb 1.22 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 2k4h h LEU 21 CO 0.63 0.00 -0.31 -0.13 0.09 0.00 0.00 178.44 178.72 2k4h s ARG 22 N -4.68 0.90 0.27 1.13 0.52 -1.26 -4.30 118.95 111.53 2k4h s ARG 22 Ca -0.05 -0.93 0.05 0.00 -0.52 0.00 0.00 55.73 54.28 2k4h s ARG 22 Cb 0.16 0.37 0.37 0.00 0.52 0.00 0.00 34.95 36.36 2k4h s ARG 22 CO 0.57 -0.30 1.65 -1.00 0.02 0.00 0.00 175.30 176.23 2k4h h PRO 23 N 2.67 0.29 -0.54 3.54 0.13 -1.91 -3.07 132.00 133.10 2k4h h PRO 23 Ca -0.34 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k4h h PRO 23 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k4h h PRO 23 CO 0.54 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.41 2k4h n GLY 24 N -0.05 2.70 3.33 1.56 0.00 -1.26 -4.99 105.19 106.48 2k4h n GLY 24 Ca -0.02 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 2k4h n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4h n GLY 25 N 1.03 2.30 0.00 -0.02 0.00 -1.16 -5.05 105.19 102.28 2k4h n GLY 25 Ca 0.19 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2k4h n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k4h n LYS 26 N -1.89 0.35 -3.03 1.61 4.81 -1.26 -4.83 118.16 113.92 2k4h n LYS 26 Ca 0.08 -0.56 -0.32 0.00 -0.87 0.00 0.00 58.31 56.63 2k4h n LYS 26 Cb 0.53 -0.74 -0.06 0.00 0.02 0.00 0.00 35.03 34.78 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k4h s LYS 27 N -0.21 4.03 0.28 1.64 1.02 -1.26 -4.98 119.74 120.27 2k4h s LYS 27 Ca 0.00 0.76 0.12 0.00 0.02 0.00 0.00 55.97 56.87 2k4h s LYS 27 Cb 0.00 -2.36 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 2k4h s LYS 27 CO 0.00 0.09 -0.18 0.15 -0.92 0.00 0.00 175.35 174.49 2k4h s LYS 28 N -3.12 1.73 0.49 1.68 1.02 -1.26 -0.85 119.74 119.43 2k4h s LYS 28 Ca 0.56 -1.75 -0.23 0.00 0.02 0.00 0.00 55.97 54.57 2k4h s LYS 28 Cb -0.10 -1.79 -0.07 0.00 -0.52 0.00 0.00 37.83 35.35 2k4h s LYS 28 CO 0.18 0.32 1.24 0.71 -0.92 0.00 0.00 175.35 176.88 2k4h s TYR 29 N -2.50 2.66 0.12 3.18 2.02 -1.22 -4.81 117.35 116.81 2k4h s TYR 29 Ca 0.30 1.47 -0.08 0.00 -0.37 0.00 0.00 57.07 58.40 2k4h s TYR 29 Cb -0.05 -3.54 -0.01 0.00 -0.40 0.00 0.00 41.96 37.96 2k4h s TYR 29 CO 0.15 -2.02 0.20 0.50 -1.57 0.00 0.00 175.55 172.82 2k4h s ARG 30 N -2.75 0.97 0.47 -0.62 6.06 -1.26 -4.38 118.95 117.43 2k4h s ARG 30 Ca 0.66 -1.11 0.28 0.00 -2.50 0.00 0.00 55.73 53.06 2k4h s ARG 30 Cb -0.33 0.34 1.34 0.00 0.06 0.00 0.00 34.95 36.36 2k4h s ARG 30 CO 0.40 -0.32 1.77 -0.07 -2.50 0.00 0.00 175.30 174.57 2k4h h LEU 31 N 2.70 0.23 -0.96 -0.88 3.38 -1.97 0.26 115.31 118.06 2k4h h LEU 31 Ca -0.33 0.05 0.16 0.00 0.09 0.00 0.00 57.88 57.85 2k4h h LEU 31 Cb 1.21 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.88 2k4h h LEU 31 CO 0.54 0.02 0.57 0.11 0.09 0.00 0.00 178.44 179.76 2k4h h LYS 32 N 0.19 0.75 -0.01 1.13 1.57 -2.00 0.96 116.57 119.16 2k4h h LYS 32 Ca 0.61 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 59.22 2k4h h LYS 32 Cb 1.97 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 34.09 2k4h h LYS 32 CO -0.18 0.50 -0.57 0.45 -0.57 0.00 0.00 179.45 179.07 2k4h h HIS 33 N 0.77 0.03 -0.18 -1.35 3.86 -0.89 -3.11 115.15 114.29 2k4h h HIS 33 Ca 0.53 -0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.54 2k4h h HIS 33 Cb 0.74 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.20 2k4h h HIS 33 CO -0.03 0.59 -0.64 0.82 0.86 0.00 0.00 177.93 179.53 2k4h h ILE 34 N 0.02 1.31 0.22 2.45 2.04 -0.83 -3.03 117.51 119.69 2k4h h ILE 34 Ca -0.01 -1.89 -0.00 0.00 1.00 0.00 0.00 64.86 63.96 2k4h h ILE 34 Cb 1.02 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2k4h h ILE 34 CO 0.08 0.59 -0.15 0.58 0.00 0.00 0.00 178.15 179.25 2k4h h VAL 35 N 0.47 0.67 -0.01 1.67 2.07 -1.21 -0.08 116.25 119.83 2k4h h VAL 35 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2k4h h VAL 35 Cb 1.22 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2k4h h VAL 35 CO 0.12 0.00 0.02 -0.25 0.02 0.00 0.00 177.57 177.48 2k4h h TRP 36 N -0.37 0.00 0.01 1.57 7.01 -1.60 -2.25 115.95 120.31 2k4h h TRP 36 Ca -0.02 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 2k4h h TRP 36 Cb 0.32 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 2k4h h TRP 36 CO -0.10 0.00 -0.00 0.00 -2.79 0.00 0.00 178.44 175.55 2k4h h ALA 37 N 1.98 -0.01 -0.77 2.65 0.00 -1.19 -3.31 119.26 118.60 2k4h h ALA 37 Ca 0.01 -0.42 0.11 0.00 0.00 0.00 0.00 54.91 54.61 2k4h h ALA 37 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2k4h h ALA 37 CO -0.00 -0.06 0.51 0.00 0.00 0.00 0.00 179.25 179.69 2k4h h ALA 38 N 0.04 1.84 -0.47 0.00 0.00 -0.61 -0.13 119.26 119.93 2k4h h ALA 38 Ca -0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2k4h h ALA 38 Cb 0.84 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2k4h h ALA 38 CO 0.00 -0.01 0.32 -0.91 0.00 0.00 0.00 179.25 178.65 2k4h h ASN 39 N 0.65 0.25 -0.04 0.00 4.21 -1.50 -2.04 115.58 117.10 2k4h h ASN 39 Ca 0.36 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.78 2k4h h ASN 39 Cb 0.53 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.68 2k4h h ASN 39 CO -0.14 0.16 -0.36 0.11 -1.29 0.00 0.00 177.43 175.91 2k4h h LYS 40 N 0.28 0.31 -0.42 0.81 1.79 -1.12 -3.14 116.57 115.08 2k4h h LYS 40 Ca 0.21 -0.28 0.12 0.00 -2.18 0.00 0.00 60.65 58.52 2k4h h LYS 40 Cb 0.48 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 2k4h h LYS 40 CO -0.05 0.95 0.40 -0.07 -1.08 0.00 0.00 179.45 179.61 2k4h h LEU 41 N -0.23 0.00 0.06 2.94 3.38 -1.18 -1.50 115.31 118.79 2k4h h LEU 41 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2k4h h LEU 41 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2k4h h LEU 41 CO 0.07 0.00 -0.03 -0.78 0.09 0.00 0.00 178.44 177.79 2k4h h ASP 42 N 0.00 -0.07 -0.44 -0.43 1.82 -1.44 0.32 116.42 116.18 2k4h h ASP 42 Ca 0.20 -0.56 0.13 0.00 -0.39 0.00 0.00 57.03 56.41 2k4h h ASP 42 Cb 1.01 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.02 2k4h h ASP 42 CO -0.00 0.57 0.55 -0.09 -1.61 0.00 0.00 179.24 178.66 2k4h h ARG 43 N -0.77 0.00 0.02 0.28 1.12 -1.23 -1.26 114.38 112.54 2k4h h ARG 43 Ca -0.01 0.00 -0.39 0.00 -1.11 0.00 0.00 59.98 58.47 2k4h h ARG 43 Cb 0.62 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.52 2k4h h ARG 43 CO 0.01 0.00 -2.35 1.19 -3.11 0.00 0.00 179.97 175.72 2k4h n PHE 44 N -3.52 0.27 0.00 2.20 3.72 -1.09 -5.04 117.46 114.00 2k4h n PHE 44 Ca 0.08 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2k4h n PHE 44 Cb 0.73 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 2k4h n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k4h n GLY 45 N 1.95 4.24 3.44 1.37 0.00 0.10 -5.11 105.19 111.19 2k4h n GLY 45 Ca -0.45 -0.88 -0.46 0.00 0.00 0.00 0.00 46.02 44.24 2k4h n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4h n LEU 46 N 0.00 -0.51 -4.77 0.99 4.32 -0.68 -4.78 117.00 111.58 2k4h n LEU 46 Ca 0.00 1.08 -0.37 0.00 -0.02 0.00 0.00 56.01 56.70 2k4h n LEU 46 Cb 0.00 -1.05 -0.01 0.00 -1.62 0.00 0.00 43.42 40.74 2k4h n LEU 46 CO 0.00 -2.71 0.82 0.00 -1.22 0.00 0.00 177.39 174.28 2k4h s ALA 47 N -1.15 2.96 -0.33 -1.18 0.00 -1.26 -4.05 121.76 116.74 2k4h s ALA 47 Ca 0.62 0.91 0.20 0.00 0.00 0.00 0.00 51.96 53.69 2k4h s ALA 47 Cb -0.80 -3.37 0.22 0.00 0.00 0.00 0.00 23.12 19.17 2k4h s ALA 47 CO 0.58 -0.64 1.52 1.05 0.00 0.00 0.00 175.76 178.27 2k4h h GLU 48 N 2.00 0.00 0.00 0.00 4.11 -1.89 -3.16 114.58 115.64 2k4h h GLU 48 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2k4h h GLU 48 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2k4h h GLU 48 CO 0.60 0.18 0.00 0.43 0.07 0.00 0.00 179.01 180.29 2k4h n SER 49 N -3.13 0.17 0.00 3.06 7.64 -1.26 -1.94 113.62 118.16 2k4h n SER 49 Ca 0.03 0.55 0.14 0.00 1.01 0.00 0.00 58.87 60.59 2k4h n SER 49 Cb 0.61 -0.58 0.79 0.00 -1.01 0.00 0.00 64.21 64.02 2k4h n SER 49 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k4h n LEU 50 N -1.69 0.00 0.00 -3.43 4.77 -1.20 -3.05 117.00 112.41 2k4h n LEU 50 Ca 0.03 0.10 0.14 0.00 -0.03 0.00 0.00 56.01 56.25 2k4h n LEU 50 Cb 0.16 -0.10 0.82 0.00 -2.33 0.00 0.00 43.42 41.97 2k4h n LEU 50 CO 0.14 -0.01 1.02 0.18 -1.33 0.00 0.00 177.39 177.39 2k4h n LEU 51 N -1.10 0.00 -1.22 2.23 4.77 -0.82 -2.78 117.00 118.07 2k4h n LEU 51 Ca 0.18 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 2k4h n LEU 51 Cb 0.14 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.36 2k4h n LEU 51 CO 0.18 0.00 0.24 -1.84 -1.33 0.00 0.00 177.39 174.64 2k4h n GLU 52 N -0.94 1.79 -3.69 3.23 0.28 -1.17 -4.94 120.64 115.21 2k4h n GLU 52 Ca 0.21 -3.30 -0.14 0.00 -0.16 0.00 0.00 57.16 53.77 2k4h n GLU 52 Cb 0.09 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.38 2k4h n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4h s SER 53 N -3.16 -0.53 0.01 -1.84 0.15 -1.19 -5.07 113.70 102.08 2k4h s SER 53 Ca 0.40 0.96 -0.27 0.00 0.70 0.00 0.00 55.95 57.74 2k4h s SER 53 Cb 0.38 0.98 -0.15 0.00 -1.71 0.00 0.00 66.02 65.52 2k4h s SER 53 CO -0.06 -0.23 1.12 0.50 1.20 0.00 0.00 173.24 175.77 2k4h h LYS 54 N 5.07 -0.93 -1.00 5.44 3.64 -1.87 0.24 116.57 127.16 2k4h h LYS 54 Ca -0.28 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.33 2k4h h LYS 54 Cb 1.17 0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 33.10 2k4h h LYS 54 CO 0.21 -0.62 0.61 1.49 -2.27 0.00 0.00 179.45 178.87 2k4h h GLU 55 N -1.26 0.82 -0.17 1.90 4.81 -1.97 0.29 114.58 118.99 2k4h h GLU 55 Ca -0.10 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 58.94 2k4h h GLU 55 Cb 0.74 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2k4h h GLU 55 CO 0.16 0.54 -0.44 0.78 -0.73 0.00 0.00 179.01 179.32 2k4h h GLY 56 N 0.84 0.66 1.28 1.92 0.00 -1.80 -3.19 103.07 102.78 2k4h h GLY 56 Ca 0.55 -0.82 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2k4h h GLY 56 CO -0.34 0.74 -0.04 0.00 0.00 0.00 0.00 176.54 176.89 2k4h h GLN 58 N 0.79 0.86 0.00 0.00 -0.00 -0.49 0.25 115.11 116.53 2k4h h GLN 58 Ca 0.14 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 2k4h h GLN 58 Cb 0.53 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.82 2k4h h GLN 58 CO 0.03 0.57 0.00 -0.22 0.00 0.00 0.00 178.83 179.21 2k4h h LYS 59 N 0.89 0.00 0.19 1.69 3.64 -1.49 -2.88 116.57 118.62 2k4h h LYS 59 Ca 0.44 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.54 2k4h h LYS 59 Cb 0.47 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2k4h h LYS 59 CO -0.20 0.00 -1.23 0.82 -2.27 0.00 0.00 179.45 176.56 2k4h h ILE 60 N 0.00 1.35 -0.69 2.00 2.04 -0.50 -3.17 117.51 118.53 2k4h h ILE 60 Ca 0.00 -2.59 -0.01 0.00 1.00 0.00 0.00 64.86 63.25 2k4h h ILE 60 Cb 0.41 3.01 -0.03 0.00 -0.74 0.00 0.00 36.82 39.47 2k4h h ILE 60 CO 0.00 0.77 0.37 -0.07 0.00 0.00 0.00 178.15 179.22 2k4h h LEU 61 N 0.02 0.86 -1.60 1.44 3.38 -1.26 -0.21 115.31 117.95 2k4h h LEU 61 Ca -0.21 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 2k4h h LEU 61 Cb 1.96 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2k4h h LEU 61 CO 0.23 0.71 -0.06 0.00 0.09 0.00 0.00 178.44 179.42 2k4h h THR 62 N 0.95 1.12 0.17 0.22 1.03 -1.63 0.27 112.91 115.03 2k4h h THR 62 Ca 0.24 -0.50 -0.31 0.00 -0.01 0.00 0.00 66.41 65.82 2k4h h THR 62 Cb 0.04 1.09 0.03 0.00 -1.07 0.00 0.00 68.15 68.25 2k4h h THR 62 CO -0.04 0.16 -1.34 0.58 -0.01 0.00 0.00 175.52 174.87 2k4h h VAL 63 N 0.18 1.29 0.00 0.00 2.07 -1.37 -3.27 116.25 115.15 2k4h h VAL 63 Ca 0.04 -2.57 -0.03 0.00 0.82 0.00 0.00 66.70 64.96 2k4h h VAL 63 Cb 0.22 2.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.82 2k4h h VAL 63 CO 0.01 0.78 -0.13 -0.07 0.02 0.00 0.00 177.57 178.18 2k4h h LEU 64 N 0.22 0.00 0.11 2.57 3.38 -0.71 -3.25 115.31 117.64 2k4h h LEU 64 Ca -0.21 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2k4h h LEU 64 Cb 2.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.73 2k4h h LEU 64 CO 0.25 0.13 -0.44 0.44 0.09 0.00 0.00 178.44 178.91 2k4h h ASP 65 N 0.00 -1.32 0.84 -0.43 3.32 -0.52 -1.04 116.42 117.26 2k4h h ASP 65 Ca -0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2k4h h ASP 65 Cb 0.92 0.49 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2k4h h ASP 65 CO 0.02 -0.47 0.00 1.55 -1.72 0.00 0.00 179.24 178.62 2k4h h PRO 66 N -0.63 0.00 0.00 3.56 0.13 -1.72 -2.58 132.00 130.76 2k4h h PRO 66 Ca -0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2k4h h PRO 66 Cb 0.63 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 2k4h h PRO 66 CO -0.23 0.00 -0.13 0.52 -0.23 0.00 0.00 178.00 177.93 2k4h h MET 67 N 0.00 0.00 0.83 0.86 2.86 -1.32 -3.28 114.93 114.88 2k4h h MET 67 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2k4h h MET 67 Cb 0.42 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.08 2k4h h MET 67 CO 0.00 0.13 -0.42 0.28 1.06 0.00 0.00 176.91 177.96 2k4h h VAL 68 N 0.00 0.15 0.00 -2.22 2.07 -0.80 0.90 116.25 116.34 2k4h h VAL 68 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k4h h VAL 68 Cb 0.98 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2k4h h VAL 68 CO 0.02 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.80 2k4h n PRO 69 N -5.59 0.38 -2.72 1.57 -0.04 -1.25 -2.78 135.00 124.58 2k4h n PRO 69 Ca -0.15 0.06 -0.04 0.00 -0.04 0.00 0.00 63.50 63.33 2k4h n PRO 69 Cb 0.46 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.46 2k4h n PRO 69 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k4h n THR 70 N -1.11 1.43 -3.99 0.52 -2.24 -0.89 -5.10 114.28 102.90 2k4h n THR 70 Ca 0.10 -3.11 -0.13 0.00 -2.27 0.00 0.00 64.05 58.64 2k4h n THR 70 Cb 0.08 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 2k4h n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k4h n GLY 71 N -0.59 2.17 0.00 3.38 0.00 0.26 -4.87 105.19 105.54 2k4h n GLY 71 Ca 0.12 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2k4h n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4h n SER 72 N -1.67 1.97 -0.22 1.61 3.41 -1.26 -4.92 113.62 112.54 2k4h n SER 72 Ca 0.00 -0.96 0.10 0.00 -0.26 0.00 0.00 58.87 57.75 2k4h n SER 72 Cb 0.52 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.85 2k4h n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k4h h GLU 73 N 0.00 0.68 0.00 4.33 5.08 -1.99 0.34 114.58 123.02 2k4h h GLU 73 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2k4h h GLU 73 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2k4h h GLU 73 CO 0.00 0.45 0.00 0.09 -1.00 0.00 0.00 179.01 178.55 2k4h n ASN 74 N -4.51 0.59 -0.10 1.42 3.02 -1.26 -2.01 115.26 112.40 2k4h n ASN 74 Ca 0.14 0.71 -0.21 0.00 -0.03 0.00 0.00 54.58 55.18 2k4h n ASN 74 Cb 0.36 -0.81 -0.07 0.00 -0.61 0.00 0.00 39.78 38.65 2k4h n ASN 74 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2k4h n LEU 75 N -2.21 1.57 -0.26 3.41 0.00 0.93 -4.51 117.00 115.93 2k4h n LEU 75 Ca 0.00 0.27 0.21 0.00 0.00 0.00 0.00 56.01 56.50 2k4h n LEU 75 Cb 0.13 -0.65 0.53 0.00 0.00 0.00 0.00 43.42 43.43 2k4h n LEU 75 CO 0.14 0.34 1.23 0.11 0.00 0.00 0.00 177.39 179.20 2k4h h LYS 76 N -0.79 0.35 -0.84 1.96 1.57 -0.79 0.78 116.57 118.82 2k4h h LYS 76 Ca -0.48 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.36 2k4h h LYS 76 Cb 1.39 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.55 2k4h h LYS 76 CO -0.29 0.23 0.50 0.77 -0.57 0.00 0.00 179.45 180.10 2k4h h SER 77 N 0.36 0.76 -0.17 0.86 0.02 -1.64 -2.30 113.55 111.44 2k4h h SER 77 Ca 0.50 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.45 2k4h h SER 77 Cb 1.32 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2k4h h SER 77 CO -0.19 0.46 -0.01 0.25 -1.14 0.00 0.00 176.83 176.20 2k4h h LEU 78 N 0.88 0.31 -1.99 5.07 5.85 -1.08 -2.46 115.31 121.89 2k4h h LEU 78 Ca 0.39 -0.33 0.23 0.00 0.84 0.00 0.00 57.88 59.01 2k4h h LEU 78 Cb 0.26 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2k4h h LEU 78 CO -0.21 0.56 0.57 0.15 -0.34 0.00 0.00 178.44 179.18 2k4h h PHE 79 N 0.04 0.01 0.17 1.25 3.57 -1.19 0.18 116.94 120.98 2k4h h PHE 79 Ca 0.05 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.25 2k4h h PHE 79 Cb 0.41 -0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.17 2k4h h PHE 79 CO 0.04 0.00 -1.32 -0.91 -2.23 0.00 0.00 178.31 173.89 2k4h h ASN 80 N 0.01 0.69 0.25 0.41 4.21 -1.17 -3.20 115.58 116.78 2k4h h ASN 80 Ca 0.38 -0.71 -0.01 0.00 1.21 0.00 0.00 56.30 57.17 2k4h h ASN 80 Cb 1.51 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 2k4h h ASN 80 CO -0.01 1.54 -0.12 0.74 -1.29 0.00 0.00 177.43 178.29 2k4h h THR 81 N 0.15 0.74 -0.71 2.81 2.02 -0.32 -3.07 112.91 114.53 2k4h h THR 81 Ca -0.19 -0.81 0.21 0.00 0.77 0.00 0.00 66.41 66.38 2k4h h THR 81 Cb 2.02 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.54 2k4h h THR 81 CO 0.24 0.15 0.59 0.58 0.37 0.00 0.00 175.52 177.45 2k4h h VAL 82 N -0.81 0.46 -0.19 3.16 2.07 -0.98 0.42 116.25 120.39 2k4h h VAL 82 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2k4h h VAL 82 Cb 0.51 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2k4h h VAL 82 CO 0.06 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.64 2k4h h VAL 84 N 0.09 1.27 0.33 0.00 2.07 -0.91 -2.86 116.25 116.25 2k4h h VAL 84 Ca 0.05 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 2k4h h VAL 84 Cb 0.40 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2k4h h VAL 84 CO 0.01 0.45 -0.16 0.40 0.02 0.00 0.00 177.57 178.29 2k4h h ILE 85 N 0.93 0.68 -0.65 4.57 1.08 -1.30 -2.80 117.51 120.02 2k4h h ILE 85 Ca 0.15 -0.04 0.12 0.00 -0.39 0.00 0.00 64.86 64.70 2k4h h ILE 85 Cb 0.67 0.70 -0.09 0.00 -3.07 0.00 0.00 36.82 35.03 2k4h h ILE 85 CO 0.05 0.01 0.16 -0.25 -0.69 0.00 0.00 178.15 177.43 2k4h h TRP 86 N -0.47 0.26 -0.26 1.37 7.01 -1.32 -1.79 115.95 120.75 2k4h h TRP 86 Ca -0.05 0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.06 2k4h h TRP 86 Cb 0.36 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.33 2k4h h TRP 86 CO -0.05 -0.03 -0.25 0.00 -2.79 0.00 0.00 178.44 175.32 2k4h h ILE 88 N -0.25 0.60 0.05 0.00 2.04 -1.08 0.25 117.51 119.13 2k4h h ILE 88 Ca 0.14 -0.15 -0.23 0.00 1.00 0.00 0.00 64.86 65.61 2k4h h ILE 88 Cb 0.47 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2k4h h ILE 88 CO -0.40 0.08 -1.05 0.45 0.00 0.00 0.00 178.15 177.23 2k4h h HIS 89 N 0.45 0.32 -0.29 1.37 3.86 -0.76 -3.18 115.15 116.92 2k4h h HIS 89 Ca 0.55 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2k4h h HIS 89 Cb 1.32 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2k4h h HIS 89 CO -0.00 1.11 0.00 0.00 0.86 0.00 0.00 177.93 179.89 2k4h n ALA 90 N -2.47 2.81 -0.95 2.45 0.00 0.39 -4.80 120.51 117.93 2k4h n ALA 90 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2k4h n ALA 90 Cb 0.92 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2k4h n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4h n GLU 91 N 0.36 -1.11 -2.56 0.00 -0.58 -0.45 -4.94 120.64 111.36 2k4h n GLU 91 Ca 0.12 0.28 -0.43 0.00 -0.42 0.00 0.00 57.16 56.71 2k4h n GLU 91 Cb 0.49 -4.22 -0.02 0.00 -0.57 0.00 0.00 31.44 27.11 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k4h s GLU 92 N -1.20 4.34 -0.12 3.49 0.41 0.62 -4.97 118.70 121.27 2k4h s GLU 92 Ca 0.00 1.53 -0.00 0.00 -0.41 0.00 0.00 54.97 56.08 2k4h s GLU 92 Cb 0.00 -3.60 -0.02 0.00 -1.78 0.00 0.00 34.13 28.73 2k4h s GLU 92 CO 0.00 -0.48 -0.11 0.15 -0.49 0.00 0.00 175.26 174.33 2k4h s LYS 93 N 2.52 3.28 0.03 1.61 1.02 -1.26 -3.69 119.74 123.24 2k4h s LYS 93 Ca 0.51 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.90 2k4h s LYS 93 Cb -0.20 -2.64 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 2k4h s LYS 93 CO 0.17 0.30 -0.14 0.14 -0.92 0.00 0.00 175.35 174.90 2k4h s VAL 94 N 0.13 1.10 0.01 3.17 -7.23 -1.26 -5.04 120.40 111.29 2k4h s VAL 94 Ca -0.05 -0.88 -0.25 0.00 -1.81 0.00 0.00 61.98 58.98 2k4h s VAL 94 Cb -0.15 -0.98 -0.19 0.00 0.56 0.00 0.00 36.38 35.63 2k4h s VAL 94 CO 0.04 0.09 1.41 0.11 -0.31 0.00 0.00 175.10 176.44 2k4h h LYS 95 N 5.18 -0.00 -5.02 4.82 6.56 -1.97 -3.44 116.57 122.69 2k4h h LYS 95 Ca -0.37 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 58.89 2k4h h LYS 95 Cb 1.17 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 32.66 2k4h h LYS 95 CO 0.45 0.33 -0.73 0.16 -2.06 0.00 0.00 179.45 177.60 2k4h s ASP 96 N -5.53 1.55 0.23 0.86 1.47 -1.26 -3.04 116.67 110.95 2k4h s ASP 96 Ca -0.15 -0.84 -0.10 0.00 1.18 0.00 0.00 52.55 52.64 2k4h s ASP 96 Cb 0.03 -0.00 0.34 0.00 -0.34 0.00 0.00 42.92 42.95 2k4h s ASP 96 CO 0.67 -0.26 1.63 0.74 0.68 0.00 0.00 175.17 178.63 2k4h h THR 97 N 3.45 0.37 -0.78 2.11 2.02 -1.30 0.61 112.91 119.39 2k4h h THR 97 Ca -0.37 -0.02 0.23 0.00 0.77 0.00 0.00 66.41 67.01 2k4h h THR 97 Cb 1.19 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2k4h h THR 97 CO 0.54 0.01 0.61 -0.33 0.37 0.00 0.00 175.52 176.72 2k4h h GLU 98 N 0.07 0.00 0.02 6.66 4.39 -1.85 0.28 114.58 124.15 2k4h h GLU 98 Ca 0.36 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.85 2k4h h GLU 98 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2k4h h GLU 98 CO -0.65 0.00 -0.95 0.78 -1.16 0.00 0.00 179.01 177.04 2k4h h GLY 99 N 0.00 0.17 1.61 -3.84 0.00 -0.18 -3.24 103.07 97.59 2k4h h GLY 99 Ca 0.37 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 2k4h h GLY 99 CO -0.00 0.30 -0.47 0.00 0.00 0.00 0.00 176.54 176.37 2k4h h ALA 100 N 0.94 0.89 0.00 3.60 0.00 -0.17 -2.66 119.26 121.85 2k4h h ALA 100 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k4h h ALA 100 Cb 1.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2k4h h ALA 100 CO 0.14 0.65 0.00 0.87 0.00 0.00 0.00 179.25 180.91 2k4h h LYS 101 N 0.34 0.00 0.00 0.00 1.57 -1.46 -2.24 116.57 114.78 2k4h h LYS 101 Ca 0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 2k4h h LYS 101 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 2k4h h LYS 101 CO 0.08 0.00 -1.04 1.96 -0.57 0.00 0.00 179.45 179.88 2k4h h GLN 102 N 0.00 0.00 0.16 3.15 4.20 -1.50 -2.69 115.11 118.43 2k4h h GLN 102 Ca 0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 2k4h h GLN 102 Cb 0.43 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.22 2k4h h GLN 102 CO 0.00 0.37 -1.28 0.82 -0.67 0.00 0.00 178.83 178.07 2k4h h ILE 103 N 0.00 1.22 -0.11 2.54 2.04 -1.34 -3.23 117.51 118.64 2k4h h ILE 103 Ca -0.09 -2.51 -0.12 0.00 1.00 0.00 0.00 64.86 63.13 2k4h h ILE 103 Cb 1.49 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.51 2k4h h ILE 103 CO 0.05 0.75 -0.40 0.58 0.00 0.00 0.00 178.15 179.13 2k4h h VAL 104 N -0.19 1.38 -0.47 1.67 2.07 -1.57 -2.73 116.25 116.41 2k4h h VAL 104 Ca -0.25 -1.73 0.09 0.00 0.82 0.00 0.00 66.70 65.63 2k4h h VAL 104 Cb 1.84 2.17 -0.07 0.00 -1.52 0.00 0.00 31.29 33.71 2k4h h VAL 104 CO 0.14 0.51 0.04 -0.09 0.02 0.00 0.00 177.57 178.19 2k4h h ARG 105 N 0.04 0.15 -0.55 1.57 2.43 -1.64 -1.55 114.38 114.83 2k4h h ARG 105 Ca -0.02 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2k4h h ARG 105 Cb 1.03 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2k4h h ARG 105 CO 0.08 0.10 0.21 0.00 -1.51 0.00 0.00 179.97 178.85 2k4h h ARG 106 N 0.16 0.84 -0.53 0.20 2.47 -1.61 -2.54 114.38 113.36 2k4h h ARG 106 Ca 0.24 -0.16 0.09 0.00 -1.26 0.00 0.00 59.98 58.89 2k4h h ARG 106 Cb 0.34 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 2k4h h ARG 106 CO -0.36 0.74 0.36 0.45 0.56 0.00 0.00 179.97 181.72 2k4h h HIS 107 N 0.76 0.33 0.04 3.04 3.86 -0.98 -1.69 115.15 120.51 2k4h h HIS 107 Ca 0.18 0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 59.16 2k4h h HIS 107 Cb 0.23 -0.11 0.02 0.00 1.06 0.00 0.00 27.41 28.61 2k4h h HIS 107 CO 0.01 0.16 -0.97 -0.07 0.86 0.00 0.00 177.93 177.92 2k4h h LEU 108 N 0.31 0.79 -0.84 2.43 3.38 -0.97 -3.27 115.31 117.14 2k4h h LEU 108 Ca 0.24 -0.78 0.04 0.00 0.09 0.00 0.00 57.88 57.48 2k4h h LEU 108 Cb 0.55 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2k4h h LEU 108 CO -0.06 1.47 0.53 0.58 0.09 0.00 0.00 178.44 181.06 2k4h h VAL 109 N 0.20 1.11 -0.01 1.22 2.07 -1.00 -0.91 116.25 118.92 2k4h h VAL 109 Ca -0.13 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2k4h h VAL 109 Cb 1.66 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2k4h h VAL 109 CO 0.19 0.19 0.01 0.00 0.02 0.00 0.00 177.57 177.97 2k4h h ALA 110 N 1.36 1.72 -0.97 1.67 0.00 -1.40 -0.83 119.26 120.81 2k4h h ALA 110 Ca 0.34 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.74 2k4h h ALA 110 Cb 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.55 2k4h h ALA 110 CO -0.13 -0.01 0.63 -1.91 0.00 0.00 0.00 179.25 177.83 2k4h n GLU 111 N -4.11 2.26 -0.04 0.00 2.13 -0.36 -4.22 120.64 116.31 2k4h n GLU 111 Ca -0.03 -3.04 -0.01 0.00 0.66 0.00 0.00 57.16 54.74 2k4h n GLU 111 Cb 0.09 -2.17 -0.11 0.00 0.27 0.00 0.00 31.44 29.53 2k4h n GLU 111 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2k4h n THR 112 N -1.13 0.52 0.16 6.31 -1.04 -0.32 -4.47 114.28 114.31 2k4h n THR 112 Ca 0.59 -0.46 0.19 0.00 -2.04 0.00 0.00 64.05 62.32 2k4h n THR 112 Cb 1.58 -0.30 0.79 0.00 -1.82 0.00 0.00 70.33 70.58 2k4h n THR 112 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2k4h h GLY 113 N 2.60 0.00 1.32 3.41 0.00 -1.73 -0.24 103.07 108.43 2k4h h GLY 113 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.19 2k4h h GLY 113 CO 0.01 0.00 0.27 0.00 0.00 0.00 0.00 176.54 176.82 2k4h h THR 114 N 0.00 0.45 -0.66 4.70 1.03 -1.88 -1.84 112.91 114.71 2k4h h THR 114 Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 66.41 66.12 2k4h h THR 114 Cb 0.79 0.78 -0.42 0.00 -1.07 0.00 0.00 68.15 68.24 2k4h h THR 114 CO -0.00 0.00 -0.95 0.00 -0.01 0.00 0.00 175.52 174.56 2k4h n ALA 115 N -2.34 3.97 0.24 0.00 0.00 -0.10 -4.82 120.51 117.45 2k4h n ALA 115 Ca 0.03 -3.36 0.09 0.00 0.00 0.00 0.00 53.44 50.20 2k4h n ALA 115 Cb 0.41 -0.58 0.59 0.00 0.00 0.00 0.00 19.45 19.87 2k4h n ALA 115 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k4h h GLU 116 N 2.40 0.00 -0.37 0.00 4.81 -1.32 -3.00 114.58 117.10 2k4h h GLU 116 Ca 0.14 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.45 2k4h h GLU 116 Cb 1.39 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.70 2k4h h GLU 116 CO 0.52 0.19 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.66 2k4h h LYS 117 N 0.00 -0.02 -5.82 1.92 3.64 -1.88 -3.47 116.57 110.94 2k4h h LYS 117 Ca -0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 2k4h h LYS 117 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2k4h h LYS 117 CO 0.02 -0.01 -0.49 -0.12 -2.27 0.00 0.00 179.45 176.58 2k4h n MET 118 N -5.30 -1.64 -2.04 1.90 1.56 -1.14 -4.81 117.12 105.65 2k4h n MET 118 Ca 0.02 1.42 -0.32 0.00 -0.27 0.00 0.00 57.70 58.55 2k4h n MET 118 Cb 0.22 -4.50 -0.04 0.00 2.15 0.00 0.00 33.22 31.04 2k4h n MET 118 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 2k4h s PRO 119 N -3.36 2.59 -0.01 2.12 0.04 -1.26 -4.83 135.00 130.28 2k4h s PRO 119 Ca 0.08 0.13 -0.13 0.00 0.04 0.00 0.00 61.00 61.13 2k4h s PRO 119 Cb -0.02 -4.75 0.04 0.00 0.04 0.00 0.00 34.50 29.82 2k4h s PRO 119 CO 0.80 -3.08 0.60 0.45 0.04 0.00 0.00 177.00 175.81 2k4h n SER 120 N 13.41 -0.55 -4.39 6.66 2.88 -1.26 -5.09 113.62 125.29 2k4h n SER 120 Ca 0.31 -1.11 -0.45 0.00 -1.33 0.00 0.00 58.87 56.29 2k4h n SER 120 Cb 0.49 0.85 -0.02 0.00 -0.75 0.00 0.00 64.21 64.78 2k4h n SER 120 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2k4h s THR 121 N -2.08 5.27 0.34 2.46 -4.23 -1.26 -4.98 115.64 111.15 2k4h s THR 121 Ca 0.14 -2.24 0.02 0.00 -1.18 0.00 0.00 61.69 58.43 2k4h s THR 121 Cb -0.00 -4.64 -0.01 0.00 1.34 0.00 0.00 72.50 69.18 2k4h s THR 121 CO -0.00 -1.28 0.38 -0.94 -0.54 0.00 0.00 174.62 172.24 2k4h s SER 122 N 2.69 1.25 0.38 3.99 1.04 -1.26 -5.15 113.70 116.64 2k4h s SER 122 Ca 0.27 -1.61 -0.25 0.00 0.48 0.00 0.00 55.95 54.84 2k4h s SER 122 Cb -0.07 0.61 -0.09 0.00 0.10 0.00 0.00 66.02 66.57 2k4h s SER 122 CO -0.08 -1.19 1.03 -0.13 0.98 0.00 0.00 173.24 173.84 2k4h s ARG 123 N -3.23 4.27 0.53 4.02 0.52 -1.26 -5.02 118.95 118.78 2k4h s ARG 123 Ca 0.35 1.48 -0.20 0.00 -0.52 0.00 0.00 55.73 56.84 2k4h s ARG 123 Cb 0.01 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.81 2k4h s ARG 123 CO 0.24 -0.04 1.13 -1.25 0.02 0.00 0.00 175.30 175.40 2k4h s PRO 124 N -2.38 3.41 0.71 3.54 0.04 -1.26 -5.03 135.00 134.03 2k4h s PRO 124 Ca 0.56 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 2k4h s PRO 124 Cb -0.21 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2k4h s PRO 124 CO 0.27 -0.81 1.06 0.95 0.04 0.00 0.00 177.00 178.52 2k4h s THR 125 N -1.75 3.92 0.20 1.26 -4.23 -1.26 -5.08 115.64 108.70 2k4h s THR 125 Ca 0.72 0.62 0.11 0.00 -1.18 0.00 0.00 61.69 61.96 2k4h s THR 125 Cb -0.24 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 2k4h s THR 125 CO 0.28 -0.81 -0.22 0.00 -0.54 0.00 0.00 174.62 173.33 2k4h s ALA 126 N -3.08 2.43 1.25 3.99 0.00 -1.26 -5.15 121.76 119.94 2k4h s ALA 126 Ca 0.58 -1.64 -0.21 0.00 0.00 0.00 0.00 51.96 50.69 2k4h s ALA 126 Cb -0.14 -0.28 0.31 0.00 0.00 0.00 0.00 23.12 23.01 2k4h s ALA 126 CO 0.55 0.35 1.11 -1.25 0.00 0.00 0.00 175.76 176.52 2k4h s PRO 127 N -2.85 -1.63 -0.01 0.00 0.04 -1.26 -5.09 135.00 124.21 2k4h s PRO 127 Ca 0.21 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.04 2k4h s PRO 127 Cb -0.07 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.92 2k4h s PRO 127 CO 0.10 -3.95 0.01 -1.12 0.04 0.00 0.00 177.00 172.07 2k4h s SER 128 N -4.00 0.06 0.21 6.66 0.01 -1.26 -5.16 113.70 110.22 2k4h s SER 128 Ca 0.72 0.01 0.10 0.00 1.31 0.00 0.00 55.95 58.09 2k4h s SER 128 Cb -0.07 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 2k4h s SER 128 CO 0.56 -0.04 -0.20 -0.44 0.41 0.00 0.00 173.24 173.52 2k4h s SER 129 N 0.39 3.16 0.30 2.44 0.01 -1.26 -5.15 113.70 113.59 2k4h s SER 129 Ca -0.03 -0.93 -0.11 0.00 1.31 0.00 0.00 55.95 56.18 2k4h s SER 129 Cb -0.05 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.96 2k4h s SER 129 CO -0.01 0.02 0.55 -1.83 0.41 0.00 0.00 173.24 172.37 2k4h s GLU 130 N -3.09 1.79 0.04 12.44 -1.05 -1.26 -5.18 118.70 122.39 2k4h s GLU 130 Ca 0.22 -1.41 0.04 0.00 -0.15 0.00 0.00 54.97 53.67 2k4h s GLU 130 Cb -0.05 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 2k4h s GLU 130 CO 0.10 -0.77 -0.11 0.15 0.95 0.00 0.00 175.26 175.59 2k4h s LYS 131 N -3.45 0.69 -0.09 -4.83 -0.14 -1.26 -5.05 119.74 105.62 2k4h s LYS 131 Ca 0.23 -0.75 0.19 0.00 -1.36 0.00 0.00 55.97 54.28 2k4h s LYS 131 Cb -0.02 -0.60 -0.25 0.00 -1.68 0.00 0.00 37.83 35.28 2k4h s LYS 131 CO 0.13 0.13 0.37 0.41 -0.76 0.00 0.00 175.35 175.63 2k4h n GLY 132 N 1.68 -1.04 0.00 -3.33 0.00 -1.26 -5.10 105.19 96.13 2k4h n GLY 132 Ca -0.20 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2k4h n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4h n GLY 133 N 1.52 1.46 3.62 -0.02 0.00 -1.26 -5.05 105.19 105.46 2k4h n GLY 133 Ca -0.19 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 2k4h n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k4h s ASN 134 N -0.49 0.79 0.00 1.61 -0.87 -1.26 -5.35 114.94 109.37 2k4h s ASN 134 Ca 0.00 0.45 0.00 0.00 -1.57 0.00 0.00 52.86 51.74 2k4h s ASN 134 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.25 40.67 2k4h s ASN 134 CO 0.00 -4.19 0.00 -1.22 -2.57 0.00 0.00 177.10 169.12