#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4h s ALA 3 N 0.00 2.19 0.12 4.61 0.00 -1.26 -4.72 121.76 122.70 2k4h s ALA 3 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 49.78 2k4h s ALA 3 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2k4h s ALA 3 CO 0.00 -1.75 0.00 0.54 0.00 0.00 0.00 175.76 174.55 2k4h n ARG 4 N 4.37 0.00 0.08 0.00 1.74 -1.26 -5.07 116.66 116.52 2k4h n ARG 4 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2k4h n ARG 4 Cb 0.40 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.84 2k4h n ARG 4 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2k4h n ASN 5 N -2.83 -1.46 -3.66 0.55 4.05 -1.26 -5.12 115.26 105.52 2k4h n ASN 5 Ca 0.00 0.32 -0.08 0.00 0.45 0.00 0.00 54.58 55.27 2k4h n ASN 5 Cb 0.00 1.67 -0.09 0.00 1.23 0.00 0.00 39.78 42.58 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 2k4h s SER 6 N -2.00 -0.36 0.04 1.20 0.01 -1.26 -4.97 113.70 106.35 2k4h s SER 6 Ca 0.00 1.03 -0.23 0.00 1.31 0.00 0.00 55.95 58.06 2k4h s SER 6 Cb 0.00 1.34 -0.16 0.00 0.21 0.00 0.00 66.02 67.41 2k4h s SER 6 CO 0.00 -0.23 1.46 0.58 0.41 0.00 0.00 173.24 175.47 2k4h h VAL 7 N 6.05 1.25 -3.35 3.43 2.07 -2.00 -3.45 116.25 120.25 2k4h h VAL 7 Ca -0.19 -0.77 -0.40 0.00 0.82 0.00 0.00 66.70 66.16 2k4h h VAL 7 Cb 1.12 1.64 0.20 0.00 -1.52 0.00 0.00 31.29 32.73 2k4h h VAL 7 CO 0.14 0.21 0.07 -0.76 0.02 0.00 0.00 177.57 177.25 2k4h s LEU 8 N -9.56 0.16 1.43 2.57 1.43 -1.26 -5.02 118.68 108.43 2k4h s LEU 8 Ca -0.15 0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 53.30 2k4h s LEU 8 Cb 0.04 -2.17 0.37 0.00 0.03 0.00 0.00 46.19 44.46 2k4h s LEU 8 CO 0.69 -4.56 0.94 -0.13 0.23 0.00 0.00 176.35 173.52 2k4h s ARG 9 N -5.42 -2.98 -0.03 1.70 0.52 -1.26 -4.70 118.95 106.78 2k4h s ARG 9 Ca 0.71 0.03 -0.20 0.00 -0.52 0.00 0.00 55.73 55.75 2k4h s ARG 9 Cb -0.09 -1.38 -0.13 0.00 0.52 0.00 0.00 34.95 33.87 2k4h s ARG 9 CO 0.56 -4.89 0.88 0.78 0.02 0.00 0.00 175.30 172.65 2k4h h GLY 10 N -3.42 -0.46 0.93 -3.53 0.00 -1.95 -1.64 103.07 93.00 2k4h h GLY 10 Ca -0.41 0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 2k4h h GLY 10 CO 0.26 -0.17 0.08 0.50 0.00 0.00 0.00 176.54 177.21 2k4h h LYS 11 N -0.98 0.64 -0.49 4.80 1.57 -2.01 -3.00 116.57 117.10 2k4h h LYS 11 Ca -0.04 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2k4h h LYS 11 Cb 0.50 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2k4h h LYS 11 CO 0.07 0.68 0.28 0.87 -0.57 0.00 0.00 179.45 180.78 2k4h h LYS 12 N 0.49 0.55 -0.92 3.15 1.79 -1.94 -2.25 116.57 117.45 2k4h h LYS 12 Ca 0.12 -0.03 0.16 0.00 -2.18 0.00 0.00 60.65 58.71 2k4h h LYS 12 Cb 0.33 -0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 30.76 2k4h h LYS 12 CO 0.00 0.36 0.52 0.00 -1.08 0.00 0.00 179.45 179.26 2k4h h ALA 13 N 1.22 1.43 0.15 3.86 0.00 -1.17 -1.99 119.26 122.76 2k4h h ALA 13 Ca 0.20 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2k4h h ALA 13 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2k4h h ALA 13 CO -0.09 -0.03 -0.29 0.22 0.00 0.00 0.00 179.25 179.05 2k4h h ASP 14 N 0.72 -0.84 -0.99 0.00 3.58 -1.27 -0.50 116.42 117.12 2k4h h ASP 14 Ca 0.50 0.09 0.21 0.00 0.42 0.00 0.00 57.03 58.26 2k4h h ASP 14 Cb 0.70 0.31 -0.10 0.00 1.72 0.00 0.00 39.33 41.97 2k4h h ASP 14 CO -0.36 -0.39 0.62 -0.33 -2.88 0.00 0.00 179.24 175.90 2k4h h GLU 15 N -0.53 0.60 0.13 0.28 3.07 -1.30 0.26 114.58 117.09 2k4h h GLU 15 Ca 0.02 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 2k4h h GLU 15 Cb 0.55 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2k4h h GLU 15 CO -0.15 0.40 -0.06 1.25 -1.40 0.00 0.00 179.01 179.04 2k4h h LEU 16 N 0.62 -0.15 -0.70 1.33 7.12 -0.99 -2.51 115.31 120.03 2k4h h LEU 16 Ca 0.56 -0.28 0.00 0.00 0.13 0.00 0.00 57.88 58.30 2k4h h LEU 16 Cb 1.08 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 2k4h h LEU 16 CO -0.33 0.21 0.00 -0.62 -0.13 0.00 0.00 178.44 177.57 2k4h n GLU 17 N -5.01 0.14 0.12 1.25 1.02 -0.28 -2.42 120.64 115.47 2k4h n GLU 17 Ca -0.09 0.45 -0.24 0.00 -0.02 0.00 0.00 57.16 57.26 2k4h n GLU 17 Cb 0.22 -1.81 -0.16 0.00 -0.02 0.00 0.00 31.44 29.68 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 0.48 -6.83 3.49 2.43 -0.24 -3.41 114.38 110.30 2k4h h ARG 18 Ca 0.00 -0.82 -0.53 0.00 -0.81 0.00 0.00 59.98 57.82 2k4h h ARG 18 Cb 0.25 0.31 0.09 0.00 -0.42 0.00 0.00 29.97 30.19 2k4h h ARG 18 CO 0.00 1.39 0.86 0.42 -1.51 0.00 0.00 179.97 181.13 2k4h s ILE 19 N -2.56 2.09 0.01 1.20 1.01 -0.97 -4.92 121.20 117.07 2k4h s ILE 19 Ca -0.10 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 2k4h s ILE 19 Cb 0.03 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2k4h s ILE 19 CO 0.92 0.01 0.15 -0.13 0.00 0.00 0.00 174.94 175.89 2k4h s ARG 20 N -0.83 3.27 0.58 2.79 3.00 -1.15 -2.25 118.95 124.37 2k4h s ARG 20 Ca 0.61 -0.43 0.31 0.00 0.00 0.00 0.00 55.73 56.22 2k4h s ARG 20 Cb -0.47 -2.98 1.79 0.00 0.00 0.00 0.00 34.95 33.29 2k4h s ARG 20 CO 0.51 0.64 2.21 -0.07 0.00 0.00 0.00 175.30 178.60 2k4h h LEU 21 N 3.70 0.00 -8.20 2.53 3.38 -0.91 0.21 115.31 116.01 2k4h h LEU 21 Ca -0.48 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 2k4h h LEU 21 Cb 1.18 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 2k4h h LEU 21 CO 0.68 0.04 -0.65 -0.13 0.09 0.00 0.00 178.44 178.47 2k4h s ARG 22 N -4.42 0.64 0.27 1.13 0.52 -1.26 -4.31 118.95 111.52 2k4h s ARG 22 Ca -0.04 -1.20 0.05 0.00 -0.52 0.00 0.00 55.73 54.02 2k4h s ARG 22 Cb 0.14 0.22 0.37 0.00 0.52 0.00 0.00 34.95 36.20 2k4h s ARG 22 CO 0.54 -0.13 1.65 -1.00 0.02 0.00 0.00 175.30 176.38 2k4h h PRO 23 N 3.10 0.28 -0.13 3.54 0.13 -1.92 -3.19 132.00 133.81 2k4h h PRO 23 Ca -0.34 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2k4h h PRO 23 Cb 1.15 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k4h h PRO 23 CO 0.65 0.69 -0.02 0.41 -0.23 0.00 0.00 178.00 179.50 2k4h n GLY 24 N -0.05 4.51 1.35 1.56 0.00 -1.26 -5.01 105.19 106.29 2k4h n GLY 24 Ca -0.02 -1.11 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.99 2.17 0.00 -0.02 0.00 -1.20 -5.05 105.19 100.09 2k4h n GLY 25 Ca 0.19 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2k4h n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k4h n LYS 26 N -1.33 0.69 -3.04 1.61 0.00 -1.26 -4.89 118.16 109.95 2k4h n LYS 26 Ca 0.04 -0.70 -0.40 0.00 -0.00 0.00 0.00 58.31 57.25 2k4h n LYS 26 Cb 0.21 -0.75 -0.05 0.00 -0.00 0.00 0.00 35.03 34.44 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2k4h s LYS 27 N -0.30 4.43 0.10 -1.58 -0.14 -1.26 -5.00 119.74 115.98 2k4h s LYS 27 Ca 0.00 0.89 0.05 0.00 -1.36 0.00 0.00 55.97 55.55 2k4h s LYS 27 Cb 0.00 -3.45 -0.04 0.00 -1.68 0.00 0.00 37.83 32.66 2k4h s LYS 27 CO 0.00 0.05 0.01 0.15 -0.76 0.00 0.00 175.35 174.80 2k4h s LYS 28 N 0.85 2.57 0.50 1.68 1.02 -1.26 -0.20 119.74 124.91 2k4h s LYS 28 Ca 0.38 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 55.29 2k4h s LYS 28 Cb -0.18 -2.55 -0.07 0.00 -0.52 0.00 0.00 37.83 34.52 2k4h s LYS 28 CO 0.18 0.53 1.40 0.71 -0.92 0.00 0.00 175.35 177.25 2k4h s TYR 29 N -1.36 2.36 0.24 3.18 2.02 -0.95 -4.86 117.35 117.98 2k4h s TYR 29 Ca 0.26 1.31 -0.12 0.00 -0.37 0.00 0.00 57.07 58.15 2k4h s TYR 29 Cb -0.12 -3.87 -0.01 0.00 -0.40 0.00 0.00 41.96 37.56 2k4h s TYR 29 CO 0.19 -2.96 0.45 0.50 -1.57 0.00 0.00 175.55 172.16 2k4h s ARG 30 N -2.68 1.50 0.50 -0.62 3.52 -1.26 -4.30 118.95 115.61 2k4h s ARG 30 Ca 0.66 -1.26 0.29 0.00 -0.13 0.00 0.00 55.73 55.29 2k4h s ARG 30 Cb -0.42 0.45 1.38 0.00 -1.56 0.00 0.00 34.95 34.80 2k4h s ARG 30 CO 0.52 -0.61 1.84 -0.07 -0.81 0.00 0.00 175.30 176.17 2k4h h LEU 31 N 2.29 0.13 -1.07 -0.88 4.07 -1.95 0.14 115.31 118.04 2k4h h LEU 31 Ca -0.27 0.02 0.17 0.00 0.08 0.00 0.00 57.88 57.88 2k4h h LEU 31 Cb 1.25 -0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.89 2k4h h LEU 31 CO 0.37 0.04 0.62 0.11 -1.08 0.00 0.00 178.44 178.49 2k4h h LYS 32 N 0.12 0.75 0.00 1.13 1.79 -1.99 0.12 116.57 118.50 2k4h h LYS 32 Ca 0.49 -0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 58.76 2k4h h LYS 32 Cb 1.74 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 32.19 2k4h h LYS 32 CO -0.08 0.50 -0.75 0.45 -1.08 0.00 0.00 179.45 178.49 2k4h h HIS 33 N 0.78 0.00 -0.07 -1.35 3.86 -1.13 -3.17 115.15 114.07 2k4h h HIS 33 Ca 0.55 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.52 2k4h h HIS 33 Cb 0.83 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.32 2k4h h HIS 33 CO -0.00 0.75 -0.87 0.82 0.86 0.00 0.00 177.93 179.49 2k4h h ILE 34 N 0.00 1.29 -0.47 2.45 2.04 -0.82 -2.73 117.51 119.28 2k4h h ILE 34 Ca -0.01 -2.09 0.04 0.00 1.00 0.00 0.00 64.86 63.80 2k4h h ILE 34 Cb 1.40 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 39.65 2k4h h ILE 34 CO 0.10 0.65 0.24 0.58 0.00 0.00 0.00 178.15 179.72 2k4h h VAL 35 N 0.41 0.98 -0.48 1.67 2.07 -1.02 0.22 116.25 120.10 2k4h h VAL 35 Ca -0.09 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 2k4h h VAL 35 Cb 1.52 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2k4h h VAL 35 CO 0.18 0.09 -0.08 -0.25 0.02 0.00 0.00 177.57 177.52 2k4h h TRP 36 N 0.48 0.94 -0.12 1.57 7.01 -1.61 -0.42 115.95 123.81 2k4h h TRP 36 Ca 0.20 -0.17 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 2k4h h TRP 36 Cb 0.09 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 2k4h h TRP 36 CO -0.10 0.90 -0.03 0.00 -2.79 0.00 0.00 178.44 176.42 2k4h h ALA 37 N 1.12 0.16 -0.14 2.65 0.00 -1.09 -2.21 119.26 119.76 2k4h h ALA 37 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k4h h ALA 37 Cb 0.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k4h h ALA 37 CO 0.04 -0.10 0.04 0.00 0.00 0.00 0.00 179.25 179.24 2k4h h ALA 38 N 0.68 0.18 -0.62 0.00 0.00 -0.52 -2.49 119.26 116.48 2k4h h ALA 38 Ca 0.03 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2k4h h ALA 38 Cb 0.45 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2k4h h ALA 38 CO 0.01 -0.21 0.42 -0.97 0.00 0.00 0.00 179.25 178.50 2k4h h ASN 39 N 0.04 0.45 -0.31 0.00 -1.24 -1.11 -0.91 115.58 112.50 2k4h h ASN 39 Ca 0.04 0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.94 2k4h h ASN 39 Cb 0.21 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 2k4h h ASN 39 CO -0.00 0.28 -0.26 0.11 -1.29 0.00 0.00 177.43 176.26 2k4h h LYS 40 N 0.50 0.82 0.15 6.67 1.79 -1.10 -2.87 116.57 122.53 2k4h h LYS 40 Ca 0.28 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2k4h h LYS 40 Cb 0.45 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2k4h h LYS 40 CO -0.09 0.98 -0.07 -0.07 -1.08 0.00 0.00 179.45 179.13 2k4h h LEU 41 N 0.70 -0.17 -0.41 2.94 3.38 -0.74 0.25 115.31 121.27 2k4h h LEU 41 Ca 0.09 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2k4h h LEU 41 Cb 0.80 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 2k4h h LEU 41 CO 0.07 -0.01 -0.09 0.44 0.09 0.00 0.00 178.44 178.94 2k4h h ASP 42 N -0.32 -0.36 0.17 -0.43 3.32 -1.13 0.33 116.42 118.00 2k4h h ASP 42 Ca -0.02 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2k4h h ASP 42 Cb 0.25 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2k4h h ASP 42 CO 0.03 -0.13 -0.08 0.03 -1.72 0.00 0.00 179.24 177.37 2k4h h ARG 43 N 0.01 -0.22 -0.60 3.56 3.08 -1.41 -3.17 114.38 115.63 2k4h h ARG 43 Ca 0.20 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.38 2k4h h ARG 43 Cb 0.30 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.30 2k4h h ARG 43 CO -0.41 0.09 0.07 0.74 -1.07 0.00 0.00 179.97 179.39 2k4h h PHE 44 N -0.53 0.10 0.00 3.04 0.04 -0.13 -3.45 116.94 116.01 2k4h h PHE 44 Ca -0.02 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2k4h h PHE 44 Cb 0.41 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.60 2k4h h PHE 44 CO 0.02 -0.09 0.00 0.41 -0.60 0.00 0.00 178.31 178.05 2k4h n GLY 45 N -1.33 0.27 3.96 -1.45 0.00 0.73 -5.08 105.19 102.28 2k4h n GLY 45 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2k4h n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4h s LEU 46 N 0.00 3.44 0.63 0.99 1.02 0.82 -4.94 118.68 120.64 2k4h s LEU 46 Ca 0.00 0.18 -0.01 0.00 0.02 0.00 0.00 54.13 54.32 2k4h s LEU 46 Cb 0.00 -3.05 0.07 0.00 0.02 0.00 0.00 46.19 43.22 2k4h s LEU 46 CO 0.00 -0.94 0.89 0.00 0.02 0.00 0.00 176.35 176.32 2k4h s ALA 47 N -2.69 3.67 -0.06 4.21 0.00 -1.26 -2.50 121.76 123.13 2k4h s ALA 47 Ca 0.53 -1.36 0.21 0.00 0.00 0.00 0.00 51.96 51.34 2k4h s ALA 47 Cb -0.10 -2.17 -0.31 0.00 0.00 0.00 0.00 23.12 20.53 2k4h s ALA 47 CO 0.39 -1.08 0.38 -0.85 0.00 0.00 0.00 175.76 174.60 2k4h n GLU 48 N -2.62 0.67 0.16 0.00 0.28 -1.26 -4.22 120.64 113.65 2k4h n GLU 48 Ca 0.10 -0.16 0.12 0.00 -0.16 0.00 0.00 57.16 57.06 2k4h n GLU 48 Cb 0.60 -1.51 0.57 0.00 1.43 0.00 0.00 31.44 32.53 2k4h n GLU 48 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 2k4h h SER 49 N 0.00 0.00 0.98 -1.84 0.02 -1.99 -1.14 113.55 109.58 2k4h h SER 49 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2k4h h SER 49 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2k4h h SER 49 CO 0.01 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.88 2k4h n LEU 50 N -2.30 0.36 0.03 5.07 4.77 -1.26 -2.60 117.00 121.06 2k4h n LEU 50 Ca 0.00 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 2k4h n LEU 50 Cb 0.13 -0.46 0.40 0.00 -2.33 0.00 0.00 43.42 41.16 2k4h n LEU 50 CO 0.15 -0.21 0.70 0.18 -1.33 0.00 0.00 177.39 176.88 2k4h n LEU 51 N -1.85 0.40 -1.14 2.23 4.77 -0.43 -0.66 117.00 120.32 2k4h n LEU 51 Ca 0.05 0.32 -0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2k4h n LEU 51 Cb 0.31 -0.34 0.23 0.00 -2.33 0.00 0.00 43.42 41.28 2k4h n LEU 51 CO 0.24 -0.00 0.75 -1.84 -1.33 0.00 0.00 177.39 175.20 2k4h n GLU 52 N -1.73 2.36 -3.66 3.23 0.28 -1.07 -4.94 120.64 115.11 2k4h n GLU 52 Ca 0.06 -3.03 -0.08 0.00 -0.16 0.00 0.00 57.16 53.95 2k4h n GLU 52 Cb 0.37 -1.86 -0.08 0.00 1.43 0.00 0.00 31.44 31.30 2k4h n GLU 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k4h s SER 53 N -2.17 -0.79 0.14 -1.84 1.04 -1.23 -5.05 113.70 103.81 2k4h s SER 53 Ca 0.45 1.29 -0.18 0.00 0.48 0.00 0.00 55.95 57.98 2k4h s SER 53 Cb 0.38 1.25 0.02 0.00 0.10 0.00 0.00 66.02 67.77 2k4h s SER 53 CO 0.05 -0.22 1.71 0.50 0.98 0.00 0.00 173.24 176.26 2k4h h LYS 54 N 7.17 0.08 -0.81 4.02 3.64 -1.88 0.24 116.57 129.02 2k4h h LYS 54 Ca -0.31 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.15 2k4h h LYS 54 Cb 1.20 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 2k4h h LYS 54 CO 0.20 0.05 0.53 1.49 -2.27 0.00 0.00 179.45 179.45 2k4h h GLU 55 N 0.08 0.80 -0.02 1.90 4.22 -1.97 -1.69 114.58 117.91 2k4h h GLU 55 Ca 0.13 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 59.46 2k4h h GLU 55 Cb 0.17 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2k4h h GLU 55 CO -0.22 0.53 -0.21 0.78 -2.18 0.00 0.00 179.01 177.71 2k4h h GLY 56 N 0.82 0.19 0.90 1.92 0.00 -1.49 -3.21 103.07 102.20 2k4h h GLY 56 Ca 0.36 -0.30 0.13 0.00 0.00 0.00 0.00 47.33 47.52 2k4h h GLY 56 CO -0.14 0.27 0.43 0.00 0.00 0.00 0.00 176.54 177.10 2k4h h GLN 58 N 0.30 0.32 0.00 0.00 -0.00 -1.34 -2.07 115.11 112.31 2k4h h GLN 58 Ca 0.30 -0.12 -0.04 0.00 -0.00 0.00 0.00 58.65 58.80 2k4h h GLN 58 Cb 0.77 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.23 2k4h h GLN 58 CO -0.07 0.57 -0.17 -0.22 0.00 0.00 0.00 178.83 178.94 2k4h h LYS 59 N 0.29 0.00 0.12 1.69 3.64 -0.88 -2.97 116.57 118.46 2k4h h LYS 59 Ca 0.04 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.21 2k4h h LYS 59 Cb 0.63 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2k4h h LYS 59 CO 0.05 0.17 -1.02 0.82 -2.27 0.00 0.00 179.45 177.20 2k4h h ILE 60 N 0.00 1.31 -0.56 2.00 2.04 -1.19 -3.31 117.51 117.81 2k4h h ILE 60 Ca -0.00 -2.46 0.07 0.00 1.00 0.00 0.00 64.86 63.47 2k4h h ILE 60 Cb 0.71 2.98 -0.03 0.00 -0.74 0.00 0.00 36.82 39.73 2k4h h ILE 60 CO 0.02 0.69 0.37 -0.07 0.00 0.00 0.00 178.15 179.16 2k4h h LEU 61 N -0.42 0.43 -1.53 1.44 3.38 -1.38 0.51 115.31 117.74 2k4h h LEU 61 Ca -0.21 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2k4h h LEU 61 Cb 1.63 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 2k4h h LEU 61 CO 0.09 0.28 -0.24 0.00 0.09 0.00 0.00 178.44 178.66 2k4h h THR 62 N 0.49 0.89 0.12 0.22 1.03 -1.63 0.27 112.91 114.29 2k4h h THR 62 Ca 0.25 -0.90 -0.27 0.00 -0.01 0.00 0.00 66.41 65.47 2k4h h THR 62 Cb 0.34 1.53 -0.00 0.00 -1.07 0.00 0.00 68.15 68.95 2k4h h THR 62 CO -0.07 0.23 -1.36 0.58 -0.01 0.00 0.00 175.52 174.89 2k4h h VAL 63 N 0.00 1.07 0.00 0.00 2.07 -1.05 -3.34 116.25 115.00 2k4h h VAL 63 Ca -0.00 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 2k4h h VAL 63 Cb 0.51 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2k4h h VAL 63 CO 0.03 0.70 0.00 0.18 0.02 0.00 0.00 177.57 178.50 2k4h n LEU 64 N -3.94 0.70 0.41 2.57 4.77 -0.34 -3.65 117.00 117.52 2k4h n LEU 64 Ca -0.24 0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 56.15 2k4h n LEU 64 Cb 0.89 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2k4h n LEU 64 CO 0.42 -0.28 0.53 0.44 -1.33 0.00 0.00 177.39 177.16 2k4h h ASP 65 N 0.00 -1.13 0.54 -1.43 3.32 -0.58 -2.54 116.42 114.60 2k4h h ASP 65 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2k4h h ASP 65 Cb 0.60 0.33 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2k4h h ASP 65 CO 0.00 -0.70 0.00 -0.81 -1.72 0.00 0.00 179.24 176.01 2k4h n PRO 66 N -5.29 0.05 0.24 3.56 -0.04 -1.25 -2.38 135.00 129.89 2k4h n PRO 66 Ca -0.14 0.30 0.15 0.00 -0.04 0.00 0.00 63.50 63.78 2k4h n PRO 66 Cb 0.46 -1.59 0.52 0.00 -0.04 0.00 0.00 33.50 32.85 2k4h n PRO 66 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k4h h MET 67 N 0.00 0.00 0.91 0.54 2.86 -1.52 -3.23 114.93 114.49 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 0.27 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.94 2k4h h MET 67 CO 0.00 0.00 -0.44 0.28 1.06 0.00 0.00 176.91 177.81 2k4h h VAL 68 N 0.00 0.03 0.00 -2.22 2.07 -1.43 -0.14 116.25 114.56 2k4h h VAL 68 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2k4h h VAL 68 Cb 0.63 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2k4h h VAL 68 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2k4h n PRO 69 N -5.59 0.35 -2.69 1.57 -0.04 -1.24 -3.02 135.00 124.34 2k4h n PRO 69 Ca -0.15 0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.30 2k4h n PRO 69 Cb 0.48 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.14 1.10 -3.05 0.52 -2.24 -1.02 -5.10 114.28 103.35 2k4h n THR 70 Ca 0.09 -3.08 0.00 0.00 -2.27 0.00 0.00 64.05 58.79 2k4h n THR 70 Cb 0.08 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.20 2.78 0.03 3.38 0.00 -0.10 -4.82 105.19 106.26 2k4h n GLY 71 Ca 0.10 -1.13 -0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.21 1.68 -0.05 1.61 3.41 -1.26 -5.00 113.62 112.80 2k4h n SER 72 Ca 0.00 -1.02 -0.11 0.00 -0.26 0.00 0.00 58.87 57.48 2k4h n SER 72 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.29 -0.29 4.33 3.07 -2.00 -2.13 114.58 117.85 2k4h h GLU 73 Ca -0.00 -0.06 0.08 0.00 -0.50 0.00 0.00 59.36 58.88 2k4h h GLU 73 Cb 0.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 2k4h h GLU 73 CO 0.00 0.41 0.33 -0.91 -1.40 0.00 0.00 179.01 177.44 2k4h h ASN 74 N 0.11 0.00 0.08 1.42 4.21 -2.01 -1.27 115.58 118.13 2k4h h ASN 74 Ca 0.06 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.43 2k4h h ASN 74 Cb 0.24 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.45 2k4h h ASN 74 CO -0.00 0.00 -0.65 0.25 -1.29 0.00 0.00 177.43 175.74 2k4h h LEU 75 N 0.00 0.27 -1.66 1.61 6.46 -1.83 -3.32 115.31 116.85 2k4h h LEU 75 Ca 0.14 -0.93 0.16 0.00 -0.12 0.00 0.00 57.88 57.13 2k4h h LEU 75 Cb 0.80 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.59 2k4h h LEU 75 CO -0.00 1.30 0.51 0.11 -0.62 0.00 0.00 178.44 179.73 2k4h h LYS 76 N -0.61 0.31 -0.57 1.25 1.57 -0.61 -0.45 116.57 117.46 2k4h h LYS 76 Ca -0.13 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2k4h h LYS 76 Cb 1.42 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.64 2k4h h LYS 76 CO 0.07 0.21 0.27 0.77 -0.57 0.00 0.00 179.45 180.20 2k4h h SER 77 N 0.32 0.75 -0.45 0.86 0.02 -1.52 -1.75 113.55 111.78 2k4h h SER 77 Ca 0.37 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2k4h h SER 77 Cb 0.98 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 2k4h h SER 77 CO -0.10 0.67 0.18 0.25 -1.14 0.00 0.00 176.83 176.68 2k4h h LEU 78 N 0.77 0.62 -1.61 5.07 5.85 -1.19 -1.90 115.31 122.93 2k4h h LEU 78 Ca 0.20 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2k4h h LEU 78 Cb 0.12 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2k4h h LEU 78 CO -0.02 0.63 0.03 0.15 -0.34 0.00 0.00 178.44 178.88 2k4h h PHE 79 N 0.59 0.27 0.00 1.25 3.57 -1.24 -0.31 116.94 121.07 2k4h h PHE 79 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2k4h h PHE 79 Cb 0.20 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2k4h h PHE 79 CO 0.00 0.27 0.00 -0.91 -2.23 0.00 0.00 178.31 175.44 2k4h h ASN 80 N 0.28 0.00 0.29 0.41 -0.26 -0.87 -2.96 115.58 112.47 2k4h h ASN 80 Ca 0.07 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.47 2k4h h ASN 80 Cb 0.14 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 2k4h h ASN 80 CO -0.00 0.00 -1.82 0.74 -1.06 0.00 0.00 177.43 175.29 2k4h h THR 81 N 0.00 0.80 0.00 2.81 2.02 -0.38 -3.35 112.91 114.81 2k4h h THR 81 Ca 0.00 -2.53 -0.10 0.00 0.77 0.00 0.00 66.41 64.55 2k4h h THR 81 Cb 0.83 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 2k4h h THR 81 CO 0.00 0.77 -0.47 0.58 0.37 0.00 0.00 175.52 176.77 2k4h h VAL 82 N 0.05 1.24 0.00 3.16 2.07 -1.15 -2.67 116.25 118.95 2k4h h VAL 82 Ca -0.35 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.47 2k4h h VAL 82 Cb 2.03 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 33.73 2k4h h VAL 82 CO 0.10 0.46 -0.09 0.00 0.02 0.00 0.00 177.57 178.07 2k4h h VAL 84 N 0.00 1.01 -0.06 0.00 2.07 -1.61 -3.30 116.25 114.37 2k4h h VAL 84 Ca -0.00 -2.66 -0.01 0.00 0.82 0.00 0.00 66.70 64.85 2k4h h VAL 84 Cb 0.56 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2k4h h VAL 84 CO 0.01 0.82 0.01 0.40 0.02 0.00 0.00 177.57 178.83 2k4h h ILE 85 N 0.08 1.21 -0.54 4.57 1.08 -1.36 -2.98 117.51 119.57 2k4h h ILE 85 Ca -0.29 -0.63 0.10 0.00 -0.39 0.00 0.00 64.86 63.64 2k4h h ILE 85 Cb 2.04 1.52 -0.08 0.00 -3.07 0.00 0.00 36.82 37.23 2k4h h ILE 85 CO 0.15 0.17 0.09 -0.25 -0.69 0.00 0.00 178.15 177.62 2k4h h TRP 86 N -0.14 0.13 -0.14 1.37 7.01 -1.63 -2.19 115.95 120.35 2k4h h TRP 86 Ca 0.02 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.10 2k4h h TRP 86 Cb 0.27 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.29 2k4h h TRP 86 CO 0.01 -0.04 -0.30 0.00 -2.79 0.00 0.00 178.44 175.32 2k4h h ILE 88 N -0.37 0.39 0.07 0.00 2.04 -1.24 0.38 117.51 118.78 2k4h h ILE 88 Ca 0.10 -0.08 -0.27 0.00 1.00 0.00 0.00 64.86 65.62 2k4h h ILE 88 Cb 0.52 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2k4h h ILE 88 CO -0.35 0.04 -1.35 0.45 0.00 0.00 0.00 178.15 176.95 2k4h h HIS 89 N 0.22 0.25 -0.18 1.37 3.86 -0.83 -3.28 115.15 116.57 2k4h h HIS 89 Ca 0.65 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 2k4h h HIS 89 Cb 1.99 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.44 2k4h h HIS 89 CO -0.00 1.19 0.00 0.00 0.86 0.00 0.00 177.93 179.98 2k4h n ALA 90 N -2.53 2.87 -3.45 2.45 0.00 0.12 -4.85 120.51 115.12 2k4h n ALA 90 Ca -0.10 -0.56 -0.19 0.00 0.00 0.00 0.00 53.44 52.60 2k4h n ALA 90 Cb 1.01 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 19.50 2k4h n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4h n GLU 91 N 0.18 -4.44 -4.83 0.00 2.13 -0.66 -5.01 120.64 108.01 2k4h n GLU 91 Ca 0.08 0.77 -0.29 0.00 0.66 0.00 0.00 57.16 58.38 2k4h n GLU 91 Cb 0.50 -5.57 -0.17 0.00 0.27 0.00 0.00 31.44 26.47 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k4h s GLU 92 N -5.24 2.52 -0.20 5.31 0.41 -0.51 -5.02 118.70 115.97 2k4h s GLU 92 Ca 0.18 -0.69 -0.07 0.00 -0.41 0.00 0.00 54.97 53.99 2k4h s GLU 92 Cb -0.03 -2.00 -0.04 0.00 -1.78 0.00 0.00 34.13 30.28 2k4h s GLU 92 CO 0.76 0.07 0.05 0.15 -0.49 0.00 0.00 175.26 175.80 2k4h s LYS 93 N 0.61 3.85 -0.03 1.61 1.02 -1.26 -4.06 119.74 121.48 2k4h s LYS 93 Ca -0.14 -0.40 0.05 0.00 0.02 0.00 0.00 55.97 55.50 2k4h s LYS 93 Cb -0.16 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 2k4h s LYS 93 CO 0.04 0.14 -0.17 0.14 -0.92 0.00 0.00 175.35 174.58 2k4h s VAL 94 N 0.71 1.43 -0.04 3.17 -7.23 -1.26 -5.03 120.40 112.15 2k4h s VAL 94 Ca 0.03 -0.73 -0.26 0.00 -1.81 0.00 0.00 61.98 59.21 2k4h s VAL 94 Cb -0.13 -1.21 -0.21 0.00 0.56 0.00 0.00 36.38 35.38 2k4h s VAL 94 CO 0.02 0.41 1.19 0.11 -0.31 0.00 0.00 175.10 176.52 2k4h h LYS 95 N 6.09 0.02 -5.18 4.82 1.57 -1.96 -3.42 116.57 118.51 2k4h h LYS 95 Ca -0.34 -0.01 -0.37 0.00 -1.87 0.00 0.00 60.65 58.06 2k4h h LYS 95 Cb 1.17 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.30 2k4h h LYS 95 CO 0.48 0.58 -0.74 0.16 -0.57 0.00 0.00 179.45 179.36 2k4h s ASP 96 N -5.80 1.72 0.17 0.86 1.47 -1.26 -2.93 116.67 110.91 2k4h s ASP 96 Ca -0.16 -0.81 -0.21 0.00 1.18 0.00 0.00 52.55 52.54 2k4h s ASP 96 Cb 0.01 -0.03 0.09 0.00 -0.34 0.00 0.00 42.92 42.66 2k4h s ASP 96 CO 0.68 -0.21 1.60 0.74 0.68 0.00 0.00 175.17 178.67 2k4h h THR 97 N 3.53 0.25 -0.98 2.11 2.02 -0.77 0.38 112.91 119.44 2k4h h THR 97 Ca -0.38 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.07 2k4h h THR 97 Cb 1.19 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 2k4h h THR 97 CO 0.52 0.00 0.69 -0.33 0.37 0.00 0.00 175.52 176.77 2k4h h GLU 98 N -0.20 0.08 -0.05 6.66 5.08 -1.84 0.30 114.58 124.62 2k4h h GLU 98 Ca 0.20 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.38 2k4h h GLU 98 Cb 0.52 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2k4h h GLU 98 CO -0.57 0.05 -0.72 0.78 -1.00 0.00 0.00 179.01 177.55 2k4h h GLY 99 N 0.08 0.32 2.00 -3.84 0.00 -0.66 -3.12 103.07 97.85 2k4h h GLY 99 Ca 0.48 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 2k4h h GLY 99 CO -0.05 0.41 -0.51 0.00 0.00 0.00 0.00 176.54 176.39 2k4h h ALA 100 N 1.03 1.14 -0.19 3.60 0.00 0.12 -2.95 119.26 122.01 2k4h h ALA 100 Ca -0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2k4h h ALA 100 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k4h h ALA 100 CO 0.12 0.64 -0.41 -0.22 0.00 0.00 0.00 179.25 179.38 2k4h h LYS 101 N 0.00 0.44 -0.02 0.00 3.11 -1.37 -1.70 116.57 117.03 2k4h h LYS 101 Ca -0.01 -0.22 -0.11 0.00 -2.81 0.00 0.00 60.65 57.51 2k4h h LYS 101 Cb 0.92 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.13 2k4h h LYS 101 CO 0.07 0.77 -0.50 0.37 -2.81 0.00 0.00 179.45 177.35 2k4h h GLN 102 N 0.36 0.06 0.08 1.90 5.75 -1.47 -0.77 115.11 121.02 2k4h h GLN 102 Ca 0.03 -0.03 -0.20 0.00 -0.15 0.00 0.00 58.65 58.30 2k4h h GLN 102 Cb 0.87 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.44 2k4h h GLN 102 CO 0.07 0.55 -0.82 0.82 -2.65 0.00 0.00 178.83 176.81 2k4h h ILE 103 N 0.05 1.43 -0.20 2.39 2.04 -1.39 -2.98 117.51 118.85 2k4h h ILE 103 Ca -0.00 -2.32 -0.05 0.00 1.00 0.00 0.00 64.86 63.48 2k4h h ILE 103 Cb 0.91 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 2k4h h ILE 103 CO 0.07 0.68 -0.07 0.58 0.00 0.00 0.00 178.15 179.41 2k4h h VAL 104 N -0.12 1.30 0.17 1.67 2.07 -1.29 -2.30 116.25 117.76 2k4h h VAL 104 Ca -0.12 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.33 2k4h h VAL 104 Cb 1.56 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 2k4h h VAL 104 CO 0.16 0.33 -0.29 -0.09 0.02 0.00 0.00 177.57 177.69 2k4h h ARG 105 N 0.10 -0.53 -0.32 1.57 2.43 -1.26 -1.80 114.38 114.58 2k4h h ARG 105 Ca 0.05 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2k4h h ARG 105 Cb 0.53 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 2k4h h ARG 105 CO 0.02 -0.35 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.02 2k4h h ARG 106 N -0.55 0.06 -0.39 0.20 1.12 -1.56 -0.61 114.38 112.66 2k4h h ARG 106 Ca 0.02 -0.00 0.11 0.00 -1.11 0.00 0.00 59.98 59.00 2k4h h ARG 106 Cb 0.55 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.48 2k4h h ARG 106 CO -0.14 0.04 0.30 0.45 -3.11 0.00 0.00 179.97 177.51 2k4h h HIS 107 N 0.06 0.00 -0.00 2.20 3.86 -1.08 -1.68 115.15 118.51 2k4h h HIS 107 Ca 0.15 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 2k4h h HIS 107 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2k4h h HIS 107 CO -0.25 0.00 -0.05 -0.07 0.86 0.00 0.00 177.93 178.42 2k4h h LEU 108 N 0.00 0.05 -2.32 2.43 3.38 -0.25 -3.17 115.31 115.42 2k4h h LEU 108 Ca 0.18 -0.77 0.02 0.00 0.09 0.00 0.00 57.88 57.41 2k4h h LEU 108 Cb 0.78 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2k4h h LEU 108 CO -0.00 0.82 0.09 0.58 0.09 0.00 0.00 178.44 180.01 2k4h h VAL 109 N -0.71 0.55 -0.16 1.22 2.07 -0.83 0.91 116.25 119.30 2k4h h VAL 109 Ca -0.01 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 2k4h h VAL 109 Cb 0.82 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2k4h h VAL 109 CO 0.01 0.00 -0.58 0.00 0.02 0.00 0.00 177.57 177.02 2k4h h ALA 110 N 1.90 0.70 0.00 1.67 0.00 -1.34 -3.18 119.26 119.01 2k4h h ALA 110 Ca 0.04 -0.53 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 2k4h h ALA 110 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2k4h h ALA 110 CO -0.00 0.70 -1.21 0.93 0.00 0.00 0.00 179.25 179.67 2k4h h GLU 111 N 0.38 0.00 -0.15 0.00 3.07 -1.13 -3.31 114.58 113.44 2k4h h GLU 111 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2k4h h GLU 111 Cb 1.12 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 2k4h h GLU 111 CO 0.11 0.55 0.18 1.15 -1.40 0.00 0.00 179.01 179.60 2k4h h THR 112 N 0.00 0.44 -0.37 1.13 2.02 -0.87 0.11 112.91 115.37 2k4h h THR 112 Ca -0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2k4h h THR 112 Cb 1.70 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2k4h h THR 112 CO 0.08 0.00 0.01 0.61 0.37 0.00 0.00 175.52 176.59 2k4h n GLY 113 N -1.38 2.46 2.67 2.16 0.00 -1.23 -4.04 105.19 105.83 2k4h n GLY 113 Ca 0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 2k4h n GLY 113 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4h n THR 114 N 0.37 0.57 0.00 2.61 -2.24 0.36 -4.90 114.28 111.06 2k4h n THR 114 Ca 0.18 -1.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.12 2k4h n THR 114 Cb 0.86 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 2k4h n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4h n ALA 115 N -1.03 1.52 -1.17 6.98 0.00 -1.22 -4.89 120.51 120.70 2k4h n ALA 115 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 2k4h n ALA 115 Cb 0.85 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.47 2k4h n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4h n GLU 116 N -1.84 2.23 0.17 0.00 0.00 -1.26 -4.43 120.64 115.52 2k4h n GLU 116 Ca 0.00 -2.93 0.04 0.00 0.00 0.00 0.00 57.16 54.26 2k4h n GLU 116 Cb 0.00 -2.15 0.25 0.00 0.00 0.00 0.00 31.44 29.54 2k4h n GLU 116 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2k4h h LYS 117 N 1.00 0.00 -6.89 5.31 2.10 -1.90 -3.45 116.57 112.75 2k4h h LYS 117 Ca 0.62 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.79 2k4h h LYS 117 Cb 2.76 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 34.09 2k4h h LYS 117 CO 1.09 0.45 0.38 -1.64 -2.00 0.00 0.00 179.45 177.74 2k4h s MET 118 N -3.49 4.48 -0.64 0.07 -1.94 -1.26 -4.96 119.30 111.56 2k4h s MET 118 Ca 0.00 1.46 -0.26 0.00 -1.71 0.00 0.00 55.69 55.18 2k4h s MET 118 Cb 0.11 -2.80 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 2k4h s MET 118 CO 0.71 0.15 1.87 -1.25 -0.01 0.00 0.00 175.02 176.49 2k4h s PRO 119 N -2.06 2.62 -0.30 2.03 0.04 -1.26 -4.82 135.00 131.25 2k4h s PRO 119 Ca 0.51 0.51 -0.12 0.00 0.04 0.00 0.00 61.00 61.94 2k4h s PRO 119 Cb -0.22 -4.46 0.19 0.00 0.04 0.00 0.00 34.50 30.04 2k4h s PRO 119 CO 0.28 -2.80 1.07 -1.54 0.04 0.00 0.00 177.00 174.05 2k4h s SER 120 N 8.08 -0.32 0.25 6.66 1.04 -1.26 -5.17 113.70 122.97 2k4h s SER 120 Ca 0.67 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 57.16 2k4h s SER 120 Cb -0.12 0.97 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 2k4h s SER 120 CO 0.18 -0.05 0.14 0.28 0.98 0.00 0.00 173.24 174.77 2k4h s THR 121 N 2.68 4.21 0.50 2.02 -1.32 -1.26 -5.10 115.64 117.36 2k4h s THR 121 Ca 0.25 -1.50 0.01 0.00 -1.21 0.00 0.00 61.69 59.24 2k4h s THR 121 Cb 0.00 -3.26 0.02 0.00 -1.51 0.00 0.00 72.50 67.75 2k4h s THR 121 CO -0.21 -0.34 0.72 -0.94 -2.21 0.00 0.00 174.62 171.65 2k4h s SER 122 N -3.74 5.53 0.53 8.08 1.04 -1.26 -5.06 113.70 118.82 2k4h s SER 122 Ca 0.32 0.09 -0.21 0.00 0.48 0.00 0.00 55.95 56.63 2k4h s SER 122 Cb -0.08 -1.15 -0.05 0.00 0.10 0.00 0.00 66.02 64.85 2k4h s SER 122 CO 0.24 -0.93 1.28 -0.13 0.98 0.00 0.00 173.24 174.67 2k4h s ARG 123 N -4.65 3.26 1.04 4.02 0.52 -1.26 -5.01 118.95 116.87 2k4h s ARG 123 Ca 0.53 2.04 -0.13 0.00 -0.52 0.00 0.00 55.73 57.65 2k4h s ARG 123 Cb -0.10 -2.23 0.21 0.00 0.52 0.00 0.00 34.95 33.35 2k4h s ARG 123 CO 0.38 -1.03 1.10 -1.25 0.02 0.00 0.00 175.30 174.51 2k4h s PRO 124 N -2.93 0.10 0.70 3.54 0.04 -1.26 -5.01 135.00 130.19 2k4h s PRO 124 Ca 0.71 0.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.01 2k4h s PRO 124 Cb -0.36 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2k4h s PRO 124 CO 0.42 -2.93 1.13 0.95 0.04 0.00 0.00 177.00 176.61 2k4h s THR 125 N -2.97 2.98 -0.48 1.26 -4.23 -1.26 -5.03 115.64 105.90 2k4h s THR 125 Ca 0.66 0.44 0.06 0.00 -1.18 0.00 0.00 61.69 61.67 2k4h s THR 125 Cb -0.17 -2.93 0.18 0.00 1.34 0.00 0.00 72.50 70.91 2k4h s THR 125 CO 0.57 -0.30 0.61 0.00 -0.54 0.00 0.00 174.62 174.96 2k4h s ALA 126 N -2.35 -1.10 0.31 3.99 0.00 -1.26 -5.14 121.76 116.21 2k4h s ALA 126 Ca 0.68 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 2k4h s ALA 126 Cb -0.22 -2.39 -0.10 0.00 0.00 0.00 0.00 23.12 20.41 2k4h s ALA 126 CO 0.45 -2.16 1.23 -1.25 0.00 0.00 0.00 175.76 174.02 2k4h s PRO 127 N 0.69 4.46 0.31 0.00 0.04 -1.26 -4.96 135.00 134.28 2k4h s PRO 127 Ca 0.30 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 2k4h s PRO 127 Cb 0.00 -3.11 -0.13 0.00 0.04 0.00 0.00 34.50 31.30 2k4h s PRO 127 CO -0.09 -0.04 1.25 -1.13 0.04 0.00 0.00 177.00 177.03 2k4h n SER 128 N 0.94 2.41 -3.77 6.66 3.41 -1.26 -4.99 113.62 117.02 2k4h n SER 128 Ca -0.00 1.19 -0.10 0.00 -0.26 0.00 0.00 58.87 59.70 2k4h n SER 128 Cb 0.43 -1.42 -0.04 0.00 -0.26 0.00 0.00 64.21 62.91 2k4h n SER 128 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k4h s SER 129 N -0.24 -0.22 1.34 4.04 0.01 -1.26 -5.17 113.70 112.20 2k4h s SER 129 Ca 0.59 -0.53 -0.19 0.00 1.31 0.00 0.00 55.95 57.13 2k4h s SER 129 Cb -0.62 0.56 0.34 0.00 0.21 0.00 0.00 66.02 66.52 2k4h s SER 129 CO 0.59 -1.04 0.96 -1.61 0.41 0.00 0.00 173.24 172.55 2k4h s GLU 130 N -3.89 -2.32 0.21 12.44 8.01 -1.26 -5.07 118.70 126.83 2k4h s GLU 130 Ca 0.10 0.37 0.02 0.00 0.01 0.00 0.00 54.97 55.47 2k4h s GLU 130 Cb -0.01 -1.43 -0.01 0.00 -4.31 0.00 0.00 34.13 28.38 2k4h s GLU 130 CO -0.02 -4.53 0.06 0.36 0.01 0.00 0.00 175.26 171.14 2k4h n LYS 131 N -5.42 0.83 0.00 1.61 0.00 -1.26 -5.16 118.16 108.76 2k4h n LYS 131 Ca 0.09 -1.76 0.00 0.00 -0.00 0.00 0.00 58.31 56.64 2k4h n LYS 131 Cb 0.58 0.89 0.00 0.00 -0.00 0.00 0.00 35.03 36.50 2k4h n LYS 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k4h n GLY 132 N 0.91 1.26 0.00 2.58 0.00 -1.26 -5.14 105.19 103.54 2k4h n GLY 132 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 5.00 4.81 3.46 -0.02 0.00 -1.26 -5.07 105.19 112.11 2k4h n GLY 133 Ca 0.00 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 6.22 0.00 1.61 0.01 -1.26 -5.38 114.94 116.13 2k4h s ASN 134 Ca 0.00 -0.84 0.00 0.00 -0.71 0.00 0.00 52.86 51.31 2k4h s ASN 134 Cb 0.00 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.40 2k4h s ASN 134 CO 0.00 -0.76 0.48 -1.22 -1.51 0.00 0.00 177.10 174.09