#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 -2.58 0.31 4.61 0.00 -1.26 -5.15 121.76 117.69 2k4h s ALA 3 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 51.96 53.98 2k4h s ALA 3 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2k4h s ALA 3 CO 0.00 -1.06 0.00 -2.13 0.00 0.00 0.00 175.76 172.57 2k4h n ARG 4 N 5.21 -2.65 -2.70 0.00 0.63 -1.26 -4.54 116.66 111.35 2k4h n ARG 4 Ca -0.08 1.76 -0.27 0.00 -0.92 0.00 0.00 57.85 58.33 2k4h n ARG 4 Cb 0.52 -3.22 -0.02 0.00 0.45 0.00 0.00 32.46 30.18 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 -3.95 4.67 -3.24 6.15 4.05 -1.26 -4.95 115.26 116.72 2k4h n ASN 5 Ca 0.01 -3.71 -0.03 0.00 0.45 0.00 0.00 54.58 51.30 2k4h n ASN 5 Cb 0.60 -0.52 -0.04 0.00 1.23 0.00 0.00 39.78 41.04 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2k4h s SER 6 N -3.46 -0.54 -0.14 1.20 0.15 -1.26 -5.02 113.70 104.63 2k4h s SER 6 Ca 0.48 0.26 0.04 0.00 0.70 0.00 0.00 55.95 57.43 2k4h s SER 6 Cb 0.34 1.59 -0.11 0.00 -1.71 0.00 0.00 66.02 66.12 2k4h s SER 6 CO -0.17 -0.30 -0.07 0.52 1.20 0.00 0.00 173.24 174.42 2k4h n VAL 7 N 5.39 0.84 -0.51 4.45 0.31 -1.26 -5.03 118.33 122.52 2k4h n VAL 7 Ca -0.00 -0.39 -0.29 0.00 -0.01 0.00 0.00 64.34 63.65 2k4h n VAL 7 Cb 0.51 -0.91 0.23 0.00 -0.91 0.00 0.00 33.84 32.76 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 -2.77 -1.92 0.00 7.52 4.77 -1.26 -5.05 117.00 118.29 2k4h n LEU 8 Ca -0.24 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2k4h n LEU 8 Cb 0.82 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2k4h n LEU 8 CO 0.18 -3.39 0.00 0.54 -1.33 0.00 0.00 177.39 173.39 2k4h n ARG 9 N -3.90 1.51 0.00 3.23 1.74 -1.26 -4.97 116.66 113.00 2k4h n ARG 9 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2k4h n ARG 9 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 2k4h n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4h n GLY 10 N 5.00 -0.43 0.21 -0.13 0.00 -1.26 -2.94 105.19 105.64 2k4h n GLY 10 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2k4h n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k4h h LYS 11 N 0.00 0.00 -0.20 1.61 3.64 -2.02 -2.74 116.57 116.87 2k4h h LYS 11 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 2k4h h LYS 11 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2k4h h LYS 11 CO 0.00 0.27 -0.68 -0.22 -2.27 0.00 0.00 179.45 176.56 2k4h h LYS 12 N 0.00 0.77 -0.92 1.90 3.64 -1.99 -3.15 116.57 116.82 2k4h h LYS 12 Ca -0.00 -0.57 0.17 0.00 -1.27 0.00 0.00 60.65 58.98 2k4h h LYS 12 Cb 0.50 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.34 2k4h h LYS 12 CO 0.04 1.18 0.59 0.00 -2.27 0.00 0.00 179.45 178.99 2k4h h ALA 13 N 0.67 1.91 0.70 5.00 0.00 -1.36 0.14 119.26 126.32 2k4h h ALA 13 Ca -0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k4h h ALA 13 Cb 1.29 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2k4h h ALA 13 CO 0.14 -0.19 -0.34 0.22 0.00 0.00 0.00 179.25 179.08 2k4h h ASP 14 N 0.63 -0.80 -0.48 0.00 1.82 -1.56 0.29 116.42 116.32 2k4h h ASP 14 Ca 0.48 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 57.18 2k4h h ASP 14 Cb 0.88 0.21 -0.03 0.00 0.68 0.00 0.00 39.33 41.07 2k4h h ASP 14 CO -0.23 -0.56 0.32 -0.33 -1.61 0.00 0.00 179.24 176.83 2k4h h GLU 15 N -0.96 0.50 -0.07 0.28 5.08 -1.54 0.24 114.58 118.12 2k4h h GLU 15 Ca -0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2k4h h GLU 15 Cb 0.72 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k4h h GLU 15 CO 0.16 0.33 -0.01 1.25 -1.00 0.00 0.00 179.01 179.74 2k4h h LEU 16 N 0.51 0.13 0.00 1.33 7.12 -0.57 -2.60 115.31 121.23 2k4h h LEU 16 Ca 0.20 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 57.85 2k4h h LEU 16 Cb 0.14 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 2k4h h LEU 16 CO -0.05 0.46 0.00 -0.62 -0.13 0.00 0.00 178.44 178.10 2k4h n GLU 17 N -4.82 0.50 0.00 1.25 -0.58 0.10 -3.51 120.64 113.58 2k4h n GLU 17 Ca -0.07 0.01 -0.20 0.00 -0.42 0.00 0.00 57.16 56.48 2k4h n GLU 17 Cb 0.22 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.45 2k4h n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k4h h ARG 18 N 0.00 0.20 -6.54 3.49 2.47 -0.26 -3.41 114.38 110.33 2k4h h ARG 18 Ca 0.00 -0.35 -0.60 0.00 -1.26 0.00 0.00 59.98 57.77 2k4h h ARG 18 Cb 0.24 0.13 0.09 0.00 -1.65 0.00 0.00 29.97 28.78 2k4h h ARG 18 CO 0.00 1.17 0.46 -0.89 0.56 0.00 0.00 179.97 181.27 2k4h n ILE 19 N -4.14 1.24 -3.81 2.04 5.41 -1.00 -4.92 119.36 114.18 2k4h n ILE 19 Ca -0.20 -0.31 -0.36 0.00 1.00 0.00 0.00 62.75 62.88 2k4h n ILE 19 Cb 0.79 -1.29 -0.07 0.00 -0.71 0.00 0.00 39.64 38.36 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 -0.77 3.77 0.61 0.38 0.52 -1.09 -2.92 118.95 119.44 2k4h s ARG 20 Ca 0.66 -0.17 0.31 0.00 -0.52 0.00 0.00 55.73 56.01 2k4h s ARG 20 Cb -0.69 -3.29 1.73 0.00 0.52 0.00 0.00 34.95 33.23 2k4h s ARG 20 CO 0.53 0.57 2.08 -0.07 0.02 0.00 0.00 175.30 178.44 2k4h h LEU 21 N 5.71 0.00 -8.56 2.53 3.38 -1.13 -0.84 115.31 116.41 2k4h h LEU 21 Ca -0.49 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.20 2k4h h LEU 21 Cb 1.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 2k4h h LEU 21 CO 0.66 0.00 -0.70 -0.13 0.09 0.00 0.00 178.44 178.36 2k4h s ARG 22 N -4.48 0.96 0.27 1.13 0.52 -1.26 -4.27 118.95 111.82 2k4h s ARG 22 Ca -0.04 -1.40 0.05 0.00 -0.52 0.00 0.00 55.73 53.81 2k4h s ARG 22 Cb 0.14 -0.41 0.38 0.00 0.52 0.00 0.00 34.95 35.58 2k4h s ARG 22 CO 0.48 0.02 1.66 -1.00 0.02 0.00 0.00 175.30 176.48 2k4h h PRO 23 N 2.86 0.28 0.00 3.54 0.13 -1.93 -3.24 132.00 133.64 2k4h h PRO 23 Ca -0.36 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2k4h h PRO 23 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2k4h h PRO 23 CO 0.64 0.68 -0.24 0.41 -0.23 0.00 0.00 178.00 179.27 2k4h n GLY 24 N -0.06 4.68 3.32 1.56 0.00 -1.26 -5.00 105.19 108.43 2k4h n GLY 24 Ca -0.02 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.20 2.22 0.00 -0.02 0.00 -1.22 -5.05 105.19 99.92 2k4h n GLY 25 Ca 0.16 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2k4h n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4h n LYS 26 N -1.93 1.01 -3.10 1.61 4.01 -1.26 -4.87 118.16 113.64 2k4h n LYS 26 Ca 0.09 -0.93 -0.39 0.00 -0.51 0.00 0.00 58.31 56.57 2k4h n LYS 26 Cb 0.52 -0.93 -0.05 0.00 -0.51 0.00 0.00 35.03 34.06 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2k4h s LYS 27 N -0.47 4.40 0.26 1.97 -0.14 -1.26 -5.01 119.74 119.50 2k4h s LYS 27 Ca 0.00 0.89 0.10 0.00 -1.36 0.00 0.00 55.97 55.61 2k4h s LYS 27 Cb 0.00 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.75 2k4h s LYS 27 CO 0.00 0.33 -0.06 0.15 -0.76 0.00 0.00 175.35 175.01 2k4h s LYS 28 N -0.13 2.12 0.37 1.68 1.02 -1.26 -0.52 119.74 123.02 2k4h s LYS 28 Ca 0.35 -1.48 -0.28 0.00 0.02 0.00 0.00 55.97 54.58 2k4h s LYS 28 Cb -0.19 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 34.95 2k4h s LYS 28 CO 0.20 0.36 1.36 0.71 -0.92 0.00 0.00 175.35 177.06 2k4h s TYR 29 N -2.29 2.83 0.22 3.18 2.02 -1.15 -4.83 117.35 117.33 2k4h s TYR 29 Ca 0.30 1.34 -0.11 0.00 -0.37 0.00 0.00 57.07 58.24 2k4h s TYR 29 Cb -0.06 -3.78 -0.01 0.00 -0.40 0.00 0.00 41.96 37.71 2k4h s TYR 29 CO 0.18 -2.28 0.39 0.50 -1.57 0.00 0.00 175.55 172.77 2k4h s ARG 30 N -2.03 1.42 0.46 -0.62 3.52 -1.26 -4.42 118.95 116.01 2k4h s ARG 30 Ca 0.53 -1.28 0.27 0.00 -0.13 0.00 0.00 55.73 55.12 2k4h s ARG 30 Cb -0.41 0.43 1.31 0.00 -1.56 0.00 0.00 34.95 34.71 2k4h s ARG 30 CO 0.55 -0.56 1.77 -0.07 -0.81 0.00 0.00 175.30 176.17 2k4h h LEU 31 N 2.36 0.26 -0.58 -0.88 4.07 -2.00 0.10 115.31 118.63 2k4h h LEU 31 Ca -0.29 0.06 0.11 0.00 0.08 0.00 0.00 57.88 57.84 2k4h h LEU 31 Cb 1.25 0.02 -0.09 0.00 1.08 0.00 0.00 40.66 42.92 2k4h h LEU 31 CO 0.40 0.02 0.09 0.11 -1.08 0.00 0.00 178.44 177.99 2k4h h LYS 32 N 0.21 0.21 -0.01 1.13 1.79 -1.99 0.30 116.57 118.21 2k4h h LYS 32 Ca 0.61 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.97 2k4h h LYS 32 Cb 1.92 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.51 2k4h h LYS 32 CO -0.20 0.14 -0.45 0.45 -1.08 0.00 0.00 179.45 178.31 2k4h h HIS 33 N 0.21 0.03 -0.31 -1.35 3.86 -1.20 -2.77 115.15 113.62 2k4h h HIS 33 Ca 0.31 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.36 2k4h h HIS 33 Cb 0.46 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 2k4h h HIS 33 CO -0.28 0.47 -0.39 0.82 0.86 0.00 0.00 177.93 179.42 2k4h h ILE 34 N 0.02 1.29 0.20 2.45 2.04 -0.87 -2.76 117.51 119.87 2k4h h ILE 34 Ca -0.00 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 2k4h h ILE 34 Cb 0.80 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2k4h h ILE 34 CO 0.06 0.50 -0.10 0.58 0.00 0.00 0.00 178.15 179.20 2k4h h VAL 35 N 0.60 0.89 -0.26 1.67 2.07 -1.07 0.02 116.25 120.17 2k4h h VAL 35 Ca 0.05 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.05 2k4h h VAL 35 Cb 0.93 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2k4h h VAL 35 CO 0.08 0.13 0.24 -0.25 0.02 0.00 0.00 177.57 177.80 2k4h h TRP 36 N -0.57 0.00 0.04 1.57 7.01 -1.53 -1.66 115.95 120.80 2k4h h TRP 36 Ca -0.03 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 2k4h h TRP 36 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 2k4h h TRP 36 CO 0.02 0.00 -0.38 0.00 -2.79 0.00 0.00 178.44 175.30 2k4h h ALA 37 N 1.76 0.02 -0.88 2.65 0.00 -1.25 -3.34 119.26 118.21 2k4h h ALA 37 Ca 0.12 -0.65 0.13 0.00 0.00 0.00 0.00 54.91 54.52 2k4h h ALA 37 Cb 0.61 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2k4h h ALA 37 CO -0.00 0.20 0.57 0.00 0.00 0.00 0.00 179.25 180.01 2k4h h ALA 38 N -0.04 1.80 -0.44 0.00 0.00 -0.31 0.52 119.26 120.79 2k4h h ALA 38 Ca -0.08 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2k4h h ALA 38 Cb 1.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2k4h h ALA 38 CO 0.01 -0.03 0.30 -0.91 0.00 0.00 0.00 179.25 178.63 2k4h h ASN 39 N 0.72 0.24 -0.08 0.00 -0.26 -1.44 -1.98 115.58 112.78 2k4h h ASN 39 Ca 0.44 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 56.07 2k4h h ASN 39 Cb 0.66 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.87 2k4h h ASN 39 CO -0.20 0.15 -0.37 0.11 -1.06 0.00 0.00 177.43 176.06 2k4h h LYS 40 N 0.27 0.40 -0.59 0.81 1.79 -1.02 -3.11 116.57 115.12 2k4h h LYS 40 Ca 0.20 -0.32 0.17 0.00 -2.18 0.00 0.00 60.65 58.52 2k4h h LYS 40 Cb 0.44 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2k4h h LYS 40 CO -0.04 0.95 0.53 -0.07 -1.08 0.00 0.00 179.45 179.74 2k4h h LEU 41 N -0.06 0.00 0.00 2.94 3.38 -1.14 -0.74 115.31 119.68 2k4h h LEU 41 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k4h h LEU 41 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2k4h h LEU 41 CO 0.08 0.00 -0.00 -0.78 0.09 0.00 0.00 178.44 177.83 2k4h h ASP 42 N 0.00 -0.00 -0.38 -0.43 1.82 -1.45 0.33 116.42 116.31 2k4h h ASP 42 Ca 0.28 -0.71 0.11 0.00 -0.39 0.00 0.00 57.03 56.31 2k4h h ASP 42 Cb 1.33 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.32 2k4h h ASP 42 CO -0.00 0.71 0.51 -0.09 -1.61 0.00 0.00 179.24 178.77 2k4h h ARG 43 N -0.72 0.00 0.00 0.28 2.43 -1.11 -1.63 114.38 113.63 2k4h h ARG 43 Ca -0.00 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.76 2k4h h ARG 43 Cb 0.71 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.19 2k4h h ARG 43 CO 0.00 0.00 -2.50 1.19 -1.51 0.00 0.00 179.97 177.15 2k4h n PHE 44 N -3.47 0.01 0.00 2.20 3.72 -1.08 -5.05 117.46 113.79 2k4h n PHE 44 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2k4h n PHE 44 Cb 0.67 -1.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 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 1.97 4.26 3.40 1.37 0.00 0.11 -5.12 105.19 111.18 2k4h n GLY 45 Ca -0.49 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.17 -4.78 0.99 4.32 -0.71 -4.77 117.00 110.88 2k4h n LEU 46 Ca 0.00 1.00 -0.35 0.00 -0.02 0.00 0.00 56.01 56.63 2k4h n LEU 46 Cb 0.00 -1.00 -0.02 0.00 -1.62 0.00 0.00 43.42 40.78 2k4h n LEU 46 CO 0.00 -3.16 0.77 0.00 -1.22 0.00 0.00 177.39 173.78 2k4h s ALA 47 N -1.30 2.87 -0.29 -1.18 0.00 -1.26 -4.06 121.76 116.55 2k4h s ALA 47 Ca 0.62 0.77 0.20 0.00 0.00 0.00 0.00 51.96 53.55 2k4h s ALA 47 Cb -0.76 -3.32 0.15 0.00 0.00 0.00 0.00 23.12 19.19 2k4h s ALA 47 CO 0.59 -0.53 1.37 1.05 0.00 0.00 0.00 175.76 178.24 2k4h h GLU 48 N 1.71 0.00 0.00 0.00 4.11 -1.90 -3.22 114.58 115.28 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 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k4h h GLU 48 CO 0.59 0.16 0.00 0.43 0.07 0.00 0.00 179.01 180.27 2k4h n SER 49 N -3.03 0.02 0.00 3.06 7.64 -1.26 -2.07 113.62 117.98 2k4h n SER 49 Ca 0.01 0.50 0.14 0.00 1.01 0.00 0.00 58.87 60.54 2k4h n SER 49 Cb 0.62 -0.51 0.82 0.00 -1.01 0.00 0.00 64.21 64.14 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 -1.52 0.00 0.00 -3.43 4.77 -1.22 -3.12 117.00 112.48 2k4h n LEU 50 Ca 0.03 0.05 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 2k4h n LEU 50 Cb 0.16 -0.05 0.68 0.00 -2.33 0.00 0.00 43.42 41.88 2k4h n LEU 50 CO 0.13 -0.01 0.92 0.18 -1.33 0.00 0.00 177.39 177.28 2k4h n LEU 51 N -1.05 0.00 -0.72 2.23 4.77 -0.88 -2.87 117.00 118.48 2k4h n LEU 51 Ca 0.20 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.24 2k4h n LEU 51 Cb 0.12 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.37 2k4h n LEU 51 CO 0.17 0.00 0.32 -1.84 -1.33 0.00 0.00 177.39 174.71 2k4h n GLU 52 N -0.89 1.20 -3.70 3.23 0.28 -1.18 -4.94 120.64 114.65 2k4h n GLU 52 Ca 0.17 -2.91 -0.13 0.00 -0.16 0.00 0.00 57.16 54.13 2k4h n GLU 52 Cb 0.08 -1.26 -0.09 0.00 1.43 0.00 0.00 31.44 31.60 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 -2.89 -0.55 0.05 -1.84 1.04 -1.16 -5.07 113.70 103.27 2k4h s SER 53 Ca 0.36 1.05 -0.28 0.00 0.48 0.00 0.00 55.95 57.55 2k4h s SER 53 Cb 0.35 1.05 -0.17 0.00 0.10 0.00 0.00 66.02 67.36 2k4h s SER 53 CO -0.08 -0.18 1.46 0.50 0.98 0.00 0.00 173.24 175.92 2k4h h LYS 54 N 5.45 -0.59 -0.97 4.02 3.64 -1.89 0.98 116.57 127.20 2k4h h LYS 54 Ca -0.28 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.33 2k4h h LYS 54 Cb 1.18 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 33.02 2k4h h LYS 54 CO 0.18 -0.32 0.56 0.93 -2.27 0.00 0.00 179.45 178.53 2k4h h GLU 55 N -0.77 0.67 -0.09 1.90 4.39 -1.97 0.32 114.58 119.03 2k4h h GLU 55 Ca -0.06 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 2k4h h GLU 55 Cb 0.54 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2k4h h GLU 55 CO 0.10 0.44 -0.24 0.78 -1.16 0.00 0.00 179.01 178.94 2k4h h GLY 56 N 0.69 0.34 1.65 -3.84 0.00 -1.75 -3.15 103.07 97.01 2k4h h GLY 56 Ca 0.57 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 2k4h h GLY 56 CO -0.40 0.39 0.03 0.00 0.00 0.00 0.00 176.54 176.56 2k4h h GLN 58 N 0.44 1.27 0.00 0.00 -0.00 -0.42 -1.01 115.11 115.40 2k4h h GLN 58 Ca 0.10 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2k4h h GLN 58 Cb 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 27.48 27.45 2k4h h GLN 58 CO 0.00 0.86 -0.04 0.87 0.00 0.00 0.00 178.83 180.52 2k4h h LYS 59 N 1.30 0.00 0.02 1.69 1.57 -1.41 -2.89 116.57 116.85 2k4h h LYS 59 Ca 0.34 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.88 2k4h h LYS 59 Cb -0.11 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.22 2k4h h LYS 59 CO -0.07 0.04 -0.96 0.82 -0.57 0.00 0.00 179.45 178.71 2k4h h ILE 60 N 0.00 1.32 -0.59 1.86 2.04 -1.08 -2.95 117.51 118.11 2k4h h ILE 60 Ca -0.00 -2.23 -0.03 0.00 1.00 0.00 0.00 64.86 63.60 2k4h h ILE 60 Cb 0.48 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 2k4h h ILE 60 CO 0.01 0.68 0.25 -0.07 0.00 0.00 0.00 178.15 179.02 2k4h h LEU 61 N 0.25 0.80 -1.52 1.44 3.38 -1.26 0.51 115.31 118.91 2k4h h LEU 61 Ca -0.12 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2k4h h LEU 61 Cb 1.63 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2k4h h LEU 61 CO 0.19 0.73 -0.25 0.00 0.09 0.00 0.00 178.44 179.20 2k4h h THR 62 N 0.81 1.11 0.21 0.22 1.03 -1.60 0.32 112.91 115.01 2k4h h THR 62 Ca 0.20 -0.86 -0.32 0.00 -0.01 0.00 0.00 66.41 65.42 2k4h h THR 62 Cb 0.17 1.47 0.03 0.00 -1.07 0.00 0.00 68.15 68.75 2k4h h THR 62 CO -0.02 0.24 -1.42 0.58 -0.01 0.00 0.00 175.52 174.89 2k4h h VAL 63 N 0.00 1.33 0.00 0.00 2.07 -1.24 -3.29 116.25 115.13 2k4h h VAL 63 Ca -0.00 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.70 2k4h h VAL 63 Cb 0.45 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 2k4h h VAL 63 CO 0.03 0.84 -0.13 -0.07 0.02 0.00 0.00 177.57 178.26 2k4h h LEU 64 N 0.12 0.00 0.14 2.57 3.38 -0.65 -3.32 115.31 117.55 2k4h h LEU 64 Ca -0.22 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2k4h h LEU 64 Cb 2.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.82 2k4h h LEU 64 CO 0.25 0.01 -0.44 0.44 0.09 0.00 0.00 178.44 178.79 2k4h h ASP 65 N 0.00 -1.31 0.77 -0.43 3.32 -0.43 -1.20 116.42 117.14 2k4h h ASP 65 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2k4h h ASP 65 Cb 0.88 0.48 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2k4h h ASP 65 CO 0.00 -0.48 0.00 1.55 -1.72 0.00 0.00 179.24 178.59 2k4h h PRO 66 N -0.66 0.00 0.00 3.56 0.13 -1.74 -2.62 132.00 130.67 2k4h h PRO 66 Ca -0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 2k4h h PRO 66 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2k4h h PRO 66 CO -0.22 0.00 -0.37 0.52 -0.23 0.00 0.00 178.00 177.70 2k4h h MET 67 N 0.00 0.00 0.54 0.86 2.86 -1.38 -3.30 114.93 114.52 2k4h h MET 67 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2k4h h MET 67 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2k4h h MET 67 CO 0.00 0.37 -0.43 0.28 1.06 0.00 0.00 176.91 178.19 2k4h h VAL 68 N 0.00 0.14 0.00 -2.22 2.07 -0.86 0.17 116.25 115.56 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 1.16 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2k4h h VAL 68 CO 0.05 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.83 2k4h n PRO 69 N -5.54 0.46 -2.28 1.57 -0.04 -1.25 -2.62 135.00 125.31 2k4h n PRO 69 Ca -0.12 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.34 2k4h n PRO 69 Cb 0.43 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.02 1.07 -4.04 0.52 -2.24 -0.64 -5.10 114.28 102.84 2k4h n THR 70 Ca 0.11 -2.51 -0.14 0.00 -2.27 0.00 0.00 64.05 59.24 2k4h n THR 70 Cb 0.06 0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.32 2.19 0.00 3.38 0.00 0.52 -4.90 105.19 106.06 2k4h n GLY 71 Ca 0.11 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.66 1.85 -0.34 1.61 3.41 -1.26 -4.90 113.62 112.33 2k4h n SER 72 Ca 0.01 -0.90 0.06 0.00 -0.26 0.00 0.00 58.87 57.79 2k4h n SER 72 Cb 0.55 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.73 2k4h n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2k4h h GLU 73 N 0.00 0.86 0.00 4.33 4.22 -1.98 0.37 114.58 122.38 2k4h h GLU 73 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2k4h h GLU 73 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2k4h h GLU 73 CO 0.00 0.57 0.00 -0.91 -2.18 0.00 0.00 179.01 176.49 2k4h h ASN 74 N 0.89 0.00 0.00 1.04 4.21 -2.00 -0.21 115.58 119.51 2k4h h ASN 74 Ca 0.47 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.62 2k4h h ASN 74 Cb 0.50 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.65 2k4h h ASN 74 CO -0.28 0.00 -2.21 -0.11 -1.29 0.00 0.00 177.43 173.54 2k4h n LEU 75 N -2.98 1.94 -0.21 1.61 0.00 0.94 -4.40 117.00 113.89 2k4h n LEU 75 Ca -0.03 0.33 0.13 0.00 0.00 0.00 0.00 56.01 56.44 2k4h n LEU 75 Cb 0.07 -0.80 0.43 0.00 0.00 0.00 0.00 43.42 43.12 2k4h n LEU 75 CO 0.19 0.39 1.21 0.11 0.00 0.00 0.00 177.39 179.29 2k4h h LYS 76 N -0.99 0.56 -0.74 1.96 6.56 -0.45 -1.02 116.57 122.45 2k4h h LYS 76 Ca -0.55 -0.03 0.10 0.00 -1.06 0.00 0.00 60.65 59.10 2k4h h LYS 76 Cb 1.48 -0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 32.94 2k4h h LYS 76 CO -0.33 0.37 0.38 1.03 -2.06 0.00 0.00 179.45 178.84 2k4h h SER 77 N 0.58 0.50 -0.34 0.86 0.87 -1.25 -1.86 113.55 112.91 2k4h h SER 77 Ca 0.40 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.96 2k4h h SER 77 Cb 0.72 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2k4h h SER 77 CO -0.16 0.28 -0.03 0.25 -0.53 0.00 0.00 176.83 176.64 2k4h h LEU 78 N 0.64 0.61 -0.95 2.23 5.85 -1.40 -2.66 115.31 119.63 2k4h h LEU 78 Ca 0.37 -0.33 0.19 0.00 0.84 0.00 0.00 57.88 58.94 2k4h h LEU 78 Cb 0.39 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.15 2k4h h LEU 78 CO -0.27 0.80 0.54 0.15 -0.34 0.00 0.00 178.44 179.32 2k4h h PHE 79 N 0.42 0.94 -0.23 1.25 3.57 -1.08 0.33 116.94 122.14 2k4h h PHE 79 Ca 0.09 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 2k4h h PHE 79 Cb 0.50 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2k4h h PHE 79 CO 0.04 0.18 -0.47 -0.91 -2.23 0.00 0.00 178.31 174.92 2k4h h ASN 80 N 0.67 0.67 -0.21 0.41 2.35 -1.28 -3.02 115.58 115.17 2k4h h ASN 80 Ca 0.55 -0.33 -0.16 0.00 -0.55 0.00 0.00 56.30 55.82 2k4h h ASN 80 Cb 0.88 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 2k4h h ASN 80 CO -0.40 1.04 -0.45 0.74 -1.65 0.00 0.00 177.43 176.71 2k4h h THR 81 N 0.49 1.29 -0.03 2.81 2.02 -0.50 -2.97 112.91 116.01 2k4h h THR 81 Ca 0.03 -1.64 -0.02 0.00 0.77 0.00 0.00 66.41 65.55 2k4h h THR 81 Cb 1.01 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2k4h h THR 81 CO 0.09 0.53 -0.07 0.58 0.37 0.00 0.00 175.52 177.03 2k4h h VAL 82 N 0.62 1.07 -0.45 3.16 2.07 -0.42 -1.94 116.25 120.36 2k4h h VAL 82 Ca 0.04 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 2k4h h VAL 82 Cb 1.01 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2k4h h VAL 82 CO 0.10 0.09 -0.07 0.00 0.02 0.00 0.00 177.57 177.71 2k4h h VAL 84 N 0.71 0.00 -0.82 0.00 2.07 -1.39 -2.61 116.25 114.20 2k4h h VAL 84 Ca 0.13 -0.40 0.18 0.00 0.82 0.00 0.00 66.70 67.42 2k4h h VAL 84 Cb 0.54 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.15 2k4h h VAL 84 CO 0.03 0.00 -0.14 0.40 0.02 0.00 0.00 177.57 177.88 2k4h h ILE 85 N -0.84 0.19 -0.29 4.57 1.08 -1.53 0.17 117.51 120.87 2k4h h ILE 85 Ca -0.04 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.45 2k4h h ILE 85 Cb 0.33 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 2k4h h ILE 85 CO 0.07 0.00 0.08 -0.25 -0.69 0.00 0.00 178.15 177.37 2k4h h TRP 86 N 0.02 0.14 -0.58 1.37 7.01 -1.52 -2.50 115.95 119.90 2k4h h TRP 86 Ca 0.42 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.55 2k4h h TRP 86 Cb 0.69 -0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 27.63 2k4h h TRP 86 CO -0.59 0.05 0.05 0.00 -2.79 0.00 0.00 178.44 175.17 2k4h h ILE 88 N 0.17 0.66 0.05 0.00 2.04 -0.90 0.22 117.51 119.76 2k4h h ILE 88 Ca 0.30 -0.17 -0.23 0.00 1.00 0.00 0.00 64.86 65.76 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 -0.45 0.09 -1.05 0.45 0.00 0.00 0.00 178.15 177.20 2k4h h HIS 89 N 0.50 0.35 -0.22 1.37 3.86 -0.77 -3.17 115.15 117.08 2k4h h HIS 89 Ca 0.52 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2k4h h HIS 89 Cb 1.16 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2k4h h HIS 89 CO -0.00 1.12 0.00 0.00 0.86 0.00 0.00 177.93 179.90 2k4h n ALA 90 N -2.48 2.63 -0.95 2.45 0.00 0.15 -4.84 120.51 117.47 2k4h n ALA 90 Ca -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2k4h n ALA 90 Cb 0.92 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 0.19 -0.94 -2.64 0.00 4.71 -0.58 -4.96 120.64 116.43 2k4h n GLU 91 Ca 0.08 0.24 -0.42 0.00 -0.01 0.00 0.00 57.16 57.05 2k4h n GLU 91 Cb 0.32 -4.05 -0.03 0.00 -1.01 0.00 0.00 31.44 26.68 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2k4h s GLU 92 N -1.04 4.50 -0.13 3.49 0.41 0.53 -4.97 118.70 121.49 2k4h s GLU 92 Ca 0.00 1.50 -0.01 0.00 -0.41 0.00 0.00 54.97 56.05 2k4h s GLU 92 Cb 0.00 -3.46 -0.02 0.00 -1.78 0.00 0.00 34.13 28.87 2k4h s GLU 92 CO 0.00 -0.16 -0.10 0.21 -0.49 0.00 0.00 175.26 174.72 2k4h s LYS 93 N 1.26 3.42 -0.01 1.61 2.36 -1.26 -3.70 119.74 123.41 2k4h s LYS 93 Ca 0.53 -0.63 0.05 0.00 -2.55 0.00 0.00 55.97 53.37 2k4h s LYS 93 Cb -0.22 -2.71 -0.01 0.00 -1.05 0.00 0.00 37.83 33.84 2k4h s LYS 93 CO 0.26 0.26 -0.15 0.14 1.55 0.00 0.00 175.35 177.41 2k4h s VAL 94 N 0.27 1.19 -0.03 4.02 -7.23 -1.26 -5.03 120.40 112.32 2k4h s VAL 94 Ca -0.07 -0.64 -0.24 0.00 -1.81 0.00 0.00 61.98 59.21 2k4h s VAL 94 Cb -0.15 -1.00 -0.18 0.00 0.56 0.00 0.00 36.38 35.61 2k4h s VAL 94 CO 0.05 0.34 1.09 0.11 -0.31 0.00 0.00 175.10 176.37 2k4h h LYS 95 N 5.80 -0.14 -5.98 4.82 1.57 -1.96 -3.43 116.57 117.24 2k4h h LYS 95 Ca -0.35 0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 57.91 2k4h h LYS 95 Cb 1.16 0.03 -0.20 0.00 0.08 0.00 0.00 32.23 33.30 2k4h h LYS 95 CO 0.49 0.33 -0.80 0.16 -0.57 0.00 0.00 179.45 179.06 2k4h s ASP 96 N -5.55 2.48 0.32 0.86 1.47 -1.26 -2.66 116.67 112.32 2k4h s ASP 96 Ca -0.15 -0.74 0.09 0.00 1.18 0.00 0.00 52.55 52.93 2k4h s ASP 96 Cb 0.01 -0.13 0.90 0.00 -0.34 0.00 0.00 42.92 43.36 2k4h s ASP 96 CO 0.58 0.00 1.66 0.74 0.68 0.00 0.00 175.17 178.84 2k4h h THR 97 N 3.80 0.34 -0.21 2.11 2.02 -1.33 0.72 112.91 120.36 2k4h h THR 97 Ca -0.44 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 66.69 2k4h h THR 97 Cb 1.19 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.54 2k4h h THR 97 CO 0.44 0.06 -0.19 -0.33 0.37 0.00 0.00 175.52 175.87 2k4h h GLU 98 N 0.31 -0.19 -0.35 6.66 5.08 -1.85 -0.45 114.58 123.79 2k4h h GLU 98 Ca 0.64 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 59.11 2k4h h GLU 98 Cb 1.38 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 2k4h h GLU 98 CO -0.61 -0.12 0.25 0.78 -1.00 0.00 0.00 179.01 178.30 2k4h h GLY 99 N -0.19 0.10 1.01 -3.84 0.00 -1.27 -1.53 103.07 97.34 2k4h h GLY 99 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 2k4h h GLY 99 CO -0.33 0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.23 2k4h h ALA 100 N 1.82 0.67 0.00 3.60 0.00 -0.80 -2.06 119.26 122.49 2k4h h ALA 100 Ca 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2k4h h ALA 100 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k4h h ALA 100 CO -0.01 0.48 -0.19 -0.22 0.00 0.00 0.00 179.25 179.30 2k4h h LYS 101 N 0.74 0.00 0.03 0.00 3.64 -0.84 -0.68 116.57 119.46 2k4h h LYS 101 Ca 0.14 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.26 2k4h h LYS 101 Cb 0.51 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2k4h h LYS 101 CO 0.03 0.19 -1.04 0.37 -2.27 0.00 0.00 179.45 176.73 2k4h h GLN 102 N 0.00 0.64 -0.10 1.90 4.15 -1.20 -1.81 115.11 118.69 2k4h h GLN 102 Ca -0.00 -0.74 -0.05 0.00 0.77 0.00 0.00 58.65 58.63 2k4h h GLN 102 Cb 0.41 0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 2k4h h GLN 102 CO 0.03 1.32 -0.15 0.82 -1.93 0.00 0.00 178.83 178.91 2k4h h ILE 103 N 0.29 1.38 -0.26 2.39 2.04 -1.07 -2.87 117.51 119.40 2k4h h ILE 103 Ca -0.14 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 2k4h h ILE 103 Cb 1.71 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.83 2k4h h ILE 103 CO 0.20 0.39 0.07 0.58 0.00 0.00 0.00 178.15 179.39 2k4h h VAL 104 N -0.15 1.21 -0.42 1.67 2.07 -1.24 -3.03 116.25 116.35 2k4h h VAL 104 Ca 0.01 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 66.92 2k4h h VAL 104 Cb 0.70 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 2k4h h VAL 104 CO 0.03 0.23 -0.09 -0.09 0.02 0.00 0.00 177.57 177.67 2k4h h ARG 105 N 0.26 0.01 -0.43 1.57 2.43 -1.39 0.16 114.38 116.99 2k4h h ARG 105 Ca 0.08 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.38 2k4h h ARG 105 Cb 0.28 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2k4h h ARG 105 CO 0.00 0.01 0.31 -0.09 -1.51 0.00 0.00 179.97 178.69 2k4h h ARG 106 N 0.01 0.00 0.01 0.20 2.43 -1.42 0.15 114.38 115.76 2k4h h ARG 106 Ca 0.20 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.15 2k4h h ARG 106 Cb 0.31 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2k4h h ARG 106 CO -0.42 0.00 -1.08 0.45 -1.51 0.00 0.00 179.97 177.41 2k4h h HIS 107 N 0.00 0.05 0.08 2.20 3.86 -0.62 -3.10 115.15 117.61 2k4h h HIS 107 Ca 0.20 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.24 2k4h h HIS 107 Cb 0.83 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.31 2k4h h HIS 107 CO 0.00 1.03 -0.64 -0.07 0.86 0.00 0.00 177.93 179.11 2k4h h LEU 108 N 0.01 0.26 -1.42 2.43 3.38 0.32 -3.27 115.31 117.01 2k4h h LEU 108 Ca -0.04 -0.93 0.09 0.00 0.09 0.00 0.00 57.88 57.09 2k4h h LEU 108 Cb 1.81 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.43 2k4h h LEU 108 CO 0.13 1.29 0.48 0.58 0.09 0.00 0.00 178.44 181.01 2k4h h VAL 109 N -0.63 0.96 0.00 1.22 2.07 -0.95 0.25 116.25 119.17 2k4h h VAL 109 Ca -0.13 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 2k4h h VAL 109 Cb 1.41 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2k4h h VAL 109 CO 0.06 0.12 -0.27 0.00 0.02 0.00 0.00 177.57 177.50 2k4h h ALA 110 N 1.62 1.44 0.00 1.67 0.00 -1.65 0.45 119.26 122.80 2k4h h ALA 110 Ca 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k4h h ALA 110 Cb 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k4h h ALA 110 CO -0.12 0.34 -0.51 1.49 0.00 0.00 0.00 179.25 180.45 2k4h h GLU 111 N 0.00 0.00 -0.24 0.00 4.81 -1.02 -3.38 114.58 114.76 2k4h h GLU 111 Ca -0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2k4h h GLU 111 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2k4h h GLU 111 CO 0.04 0.17 0.18 1.15 -0.73 0.00 0.00 179.01 179.81 2k4h h THR 112 N -1.00 0.83 -0.39 0.32 2.02 -0.68 -1.21 112.91 112.79 2k4h h THR 112 Ca -0.05 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.24 2k4h h THR 112 Cb 0.55 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2k4h h THR 112 CO -0.03 0.00 0.38 1.23 0.37 0.00 0.00 175.52 177.47 2k4h h GLY 113 N 0.00 0.00 0.73 2.16 0.00 -1.07 -0.33 103.07 104.56 2k4h h GLY 113 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.61 2k4h h GLY 113 CO -0.00 0.00 0.47 -0.84 0.00 0.00 0.00 176.54 176.17 2k4h h THR 114 N 0.00 0.55 -0.63 4.70 2.02 -1.41 -2.57 112.91 115.56 2k4h h THR 114 Ca 0.19 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 67.08 2k4h h THR 114 Cb 0.95 0.65 -0.40 0.00 -1.74 0.00 0.00 68.15 67.61 2k4h h THR 114 CO -0.00 0.00 -1.15 0.00 0.37 0.00 0.00 175.52 174.74 2k4h n ALA 115 N -2.55 2.89 -2.76 6.16 0.00 -0.16 -4.86 120.51 119.23 2k4h n ALA 115 Ca 0.11 -2.89 0.01 0.00 0.00 0.00 0.00 53.44 50.67 2k4h n ALA 115 Cb 0.70 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.41 1.37 -1.11 0.00 0.00 -0.97 -4.87 120.64 114.65 2k4h n GLU 116 Ca 0.08 -3.11 -0.17 0.00 0.00 0.00 0.00 57.16 53.96 2k4h n GLU 116 Cb 0.81 -1.21 0.22 0.00 0.00 0.00 0.00 31.44 31.26 2k4h n GLU 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k4h n LYS 117 N -0.42 2.75 -1.41 5.31 5.02 -1.26 -4.90 118.16 123.25 2k4h n LYS 117 Ca 0.06 -2.92 -0.34 0.00 -2.02 0.00 0.00 58.31 53.08 2k4h n LYS 117 Cb 0.87 -2.16 0.09 0.00 -0.02 0.00 0.00 35.03 33.82 2k4h n LYS 117 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2k4h s MET 118 N -3.07 2.11 -0.04 1.97 -1.94 -1.26 -4.93 119.30 112.15 2k4h s MET 118 Ca 0.54 1.74 -0.30 0.00 -1.71 0.00 0.00 55.69 55.96 2k4h s MET 118 Cb 0.45 -1.83 -0.05 0.00 2.01 0.00 0.00 34.83 35.41 2k4h s MET 118 CO 0.12 -1.85 1.48 -1.25 -0.01 0.00 0.00 175.02 173.50 2k4h s PRO 119 N -3.95 4.24 -0.19 2.03 0.04 -1.26 -4.98 135.00 130.92 2k4h s PRO 119 Ca 0.74 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 63.50 2k4h s PRO 119 Cb -0.29 -3.73 0.14 0.00 0.04 0.00 0.00 34.50 30.67 2k4h s PRO 119 CO 0.46 -0.69 1.09 0.45 0.04 0.00 0.00 177.00 178.35 2k4h s SER 120 N 2.39 -0.28 0.10 6.66 0.15 -1.26 -5.18 113.70 116.27 2k4h s SER 120 Ca 0.66 0.31 0.04 0.00 0.70 0.00 0.00 55.95 57.66 2k4h s SER 120 Cb -0.31 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 2k4h s SER 120 CO 0.26 -0.26 -0.10 0.42 1.20 0.00 0.00 173.24 174.76 2k4h s THR 121 N -1.07 0.93 0.47 6.45 -4.23 -1.26 -5.17 115.64 111.76 2k4h s THR 121 Ca 0.01 -1.65 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 2k4h s THR 121 Cb -0.01 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 2k4h s THR 121 CO -0.01 -0.57 0.09 -0.44 -0.54 0.00 0.00 174.62 173.15 2k4h s SER 122 N -2.46 3.42 -0.63 3.99 0.01 -1.26 -5.10 113.70 111.67 2k4h s SER 122 Ca 0.06 -1.73 0.06 0.00 1.31 0.00 0.00 55.95 55.65 2k4h s SER 122 Cb -0.03 0.64 0.24 0.00 0.21 0.00 0.00 66.02 67.09 2k4h s SER 122 CO -0.00 -0.97 0.72 -1.14 0.41 0.00 0.00 173.24 172.26 2k4h n ARG 123 N -1.10 2.40 -0.50 12.44 0.63 -1.26 -5.09 116.66 124.18 2k4h n ARG 123 Ca -0.12 -4.60 -0.15 0.00 -0.92 0.00 0.00 57.85 52.06 2k4h n ARG 123 Cb 0.65 -2.22 0.12 0.00 0.45 0.00 0.00 32.46 31.47 2k4h n ARG 123 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2k4h n PRO 124 N 0.96 -2.07 -3.45 -0.14 -0.04 -1.26 -5.10 135.00 123.90 2k4h n PRO 124 Ca 0.29 -0.85 -0.08 0.00 -0.04 0.00 0.00 63.50 62.82 2k4h n PRO 124 Cb 0.41 -0.80 0.03 0.00 -0.04 0.00 0.00 33.50 33.10 2k4h n PRO 124 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k4h n THR 125 N -3.66 0.00 -3.75 0.52 -1.04 -1.26 -5.19 114.28 99.90 2k4h n THR 125 Ca 0.07 -0.89 -0.13 0.00 -2.04 0.00 0.00 64.05 61.06 2k4h n THR 125 Cb 0.29 0.88 -0.09 0.00 -1.82 0.00 0.00 70.33 69.58 2k4h n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k4h s ALA 126 N -1.97 -0.84 0.84 2.41 0.00 -1.26 -5.17 121.76 115.78 2k4h s ALA 126 Ca 0.14 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 2k4h s ALA 126 Cb -0.04 -0.21 0.09 0.00 0.00 0.00 0.00 23.12 22.96 2k4h s ALA 126 CO 0.11 -0.22 1.09 -1.25 0.00 0.00 0.00 175.76 175.49 2k4h s PRO 127 N -0.67 1.74 0.52 0.00 0.04 -1.26 -5.07 135.00 130.30 2k4h s PRO 127 Ca -0.08 0.99 0.08 0.00 0.04 0.00 0.00 61.00 62.03 2k4h s PRO 127 Cb -0.04 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.69 2k4h s PRO 127 CO 0.03 -1.95 0.58 0.45 0.04 0.00 0.00 177.00 176.14 2k4h s SER 128 N -3.41 5.02 -0.47 6.66 0.15 -1.26 -5.09 113.70 115.30 2k4h s SER 128 Ca 0.62 -0.90 0.06 0.00 0.70 0.00 0.00 55.95 56.43 2k4h s SER 128 Cb -0.18 0.08 0.21 0.00 -1.71 0.00 0.00 66.02 64.42 2k4h s SER 128 CO 0.56 -1.09 0.47 -1.20 1.20 0.00 0.00 173.24 173.19 2k4h n SER 129 N -1.94 0.65 -4.00 5.45 7.64 -1.26 -5.09 113.62 115.07 2k4h n SER 129 Ca 0.08 -2.71 -0.18 0.00 1.01 0.00 0.00 58.87 57.06 2k4h n SER 129 Cb 0.62 -0.62 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 2k4h n SER 129 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2k4h s GLU 130 N -0.86 0.68 -0.36 1.43 4.04 -1.26 -5.07 118.70 117.30 2k4h s GLU 130 Ca 0.33 -0.29 -0.02 0.00 0.04 0.00 0.00 54.97 55.03 2k4h s GLU 130 Cb 0.09 -0.66 0.25 0.00 0.02 0.00 0.00 34.13 33.83 2k4h s GLU 130 CO -0.14 0.17 1.15 1.17 -1.84 0.00 0.00 175.26 175.76 2k4h n LYS 131 N 2.93 0.20 0.00 -4.83 3.00 -1.26 -5.17 118.16 113.03 2k4h n LYS 131 Ca -0.14 -0.88 0.00 0.00 -0.00 0.00 0.00 58.31 57.30 2k4h n LYS 131 Cb 0.57 -0.31 0.00 0.00 0.00 0.00 0.00 35.03 35.29 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 1.88 3.54 0.00 3.14 0.00 -1.26 -5.12 105.19 107.37 2k4h n GLY 132 Ca 0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 1.63 3.64 -0.02 0.00 -1.26 -5.11 105.19 109.08 2k4h n GLY 133 Ca 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 2k4h n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4h s ASN 134 N -0.41 -0.45 0.00 1.61 2.20 -1.26 -5.36 114.94 111.27 2k4h s ASN 134 Ca 0.00 0.73 0.18 0.00 -0.94 0.00 0.00 52.86 52.83 2k4h s ASN 134 Cb 0.00 1.16 0.14 0.00 -2.00 0.00 0.00 41.25 40.55 2k4h s ASN 134 CO 0.00 -0.12 1.06 -1.22 -2.94 0.00 0.00 177.10 173.88