#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 2.94 0.37 4.61 0.00 -1.26 -5.08 121.76 123.34 2k4h s ALA 3 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.02 2k4h s ALA 3 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.50 2k4h s ALA 3 CO 0.00 -0.20 0.00 0.54 0.00 0.00 0.00 175.76 176.10 2k4h n ARG 4 N -0.89 -2.88 -0.04 0.00 1.74 -1.26 -4.85 116.66 108.49 2k4h n ARG 4 Ca -0.05 1.98 -0.06 0.00 -0.77 0.00 0.00 57.85 58.95 2k4h n ARG 4 Cb 0.67 -3.49 -0.03 0.00 -1.02 0.00 0.00 32.46 28.58 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 -4.32 3.01 -4.47 0.55 2.85 -1.26 -5.02 115.26 106.60 2k4h n ASN 5 Ca -0.00 -0.02 -0.33 0.00 -0.11 0.00 0.00 54.58 54.11 2k4h n ASN 5 Cb 0.67 -0.14 -0.13 0.00 1.24 0.00 0.00 39.78 41.42 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2k4h s SER 6 N -4.87 4.13 -0.25 1.20 0.01 -1.26 -5.02 113.70 107.63 2k4h s SER 6 Ca -0.10 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 56.95 2k4h s SER 6 Cb 0.03 -1.09 -0.16 0.00 0.21 0.00 0.00 66.02 65.02 2k4h s SER 6 CO 0.17 0.30 -0.24 0.52 0.41 0.00 0.00 173.24 174.40 2k4h n VAL 7 N 2.60 1.44 -1.71 3.43 0.31 -1.26 -4.98 118.33 118.17 2k4h n VAL 7 Ca -0.17 -0.52 -0.40 0.00 -0.01 0.00 0.00 64.34 63.24 2k4h n VAL 7 Cb 0.52 -1.46 0.03 0.00 -0.91 0.00 0.00 33.84 32.02 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 -3.39 4.58 0.00 7.52 4.77 -1.26 -5.01 117.00 124.21 2k4h n LEU 8 Ca -0.46 1.02 -0.19 0.00 -0.03 0.00 0.00 56.01 56.35 2k4h n LEU 8 Cb 0.96 -1.52 0.10 0.00 -2.33 0.00 0.00 43.42 40.62 2k4h n LEU 8 CO 0.22 -0.76 0.45 -1.14 -1.33 0.00 0.00 177.39 174.83 2k4h n ARG 9 N -0.50 0.11 0.14 3.23 0.63 -1.26 -4.93 116.66 114.09 2k4h n ARG 9 Ca 0.09 -2.41 -0.09 0.00 -0.92 0.00 0.00 57.85 54.52 2k4h n ARG 9 Cb 0.43 -0.51 -0.05 0.00 0.45 0.00 0.00 32.46 32.78 2k4h n ARG 9 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2k4h h GLY 10 N -0.41 -0.46 0.86 5.14 0.00 -1.99 -2.50 103.07 103.72 2k4h h GLY 10 Ca -0.28 0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 2k4h h GLY 10 CO 0.31 -0.17 -0.22 1.70 0.00 0.00 0.00 176.54 178.16 2k4h h LYS 11 N -1.06 0.53 -0.61 4.80 1.63 -2.00 -3.04 116.57 116.82 2k4h h LYS 11 Ca -0.04 -0.28 0.08 0.00 -0.85 0.00 0.00 60.65 59.55 2k4h h LYS 11 Cb 0.44 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.01 2k4h h LYS 11 CO 0.07 0.87 0.26 0.87 -3.45 0.00 0.00 179.45 178.07 2k4h h LYS 12 N 0.22 0.45 -0.98 1.90 1.57 -1.98 -1.28 116.57 116.47 2k4h h LYS 12 Ca 0.03 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2k4h h LYS 12 Cb 0.77 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 2k4h h LYS 12 CO 0.05 0.30 0.64 0.00 -0.57 0.00 0.00 179.45 179.87 2k4h h ALA 13 N 1.39 1.39 -0.11 3.86 0.00 -1.43 -0.24 119.26 124.12 2k4h h ALA 13 Ca 0.30 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2k4h h ALA 13 Cb 0.32 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k4h h ALA 13 CO -0.27 0.49 0.17 -0.44 0.00 0.00 0.00 179.25 179.20 2k4h h ASP 14 N 1.20 0.00 0.10 0.00 5.19 -1.12 0.25 116.42 122.04 2k4h h ASP 14 Ca 0.40 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.48 2k4h h ASP 14 Cb 0.08 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 2k4h h ASP 14 CO -0.14 0.00 -1.85 1.21 -3.12 0.00 0.00 179.24 175.34 2k4h n GLU 15 N -3.54 0.72 -0.00 3.56 2.13 -0.18 -3.42 120.64 119.91 2k4h n GLU 15 Ca -0.00 0.33 -0.13 0.00 0.66 0.00 0.00 57.16 58.02 2k4h n GLU 15 Cb 0.27 -1.71 -0.09 0.00 0.27 0.00 0.00 31.44 30.18 2k4h n GLU 15 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2k4h h LEU 16 N -0.17 0.04 -1.39 4.31 7.12 -0.54 -2.03 115.31 122.64 2k4h h LEU 16 Ca -0.41 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.26 2k4h h LEU 16 Cb 1.87 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.99 2k4h h LEU 16 CO 0.02 0.36 0.00 -0.08 -0.13 0.00 0.00 178.44 178.61 2k4h h GLU 17 N -0.29 0.00 0.17 1.25 4.81 -0.73 -2.48 114.58 117.30 2k4h h GLU 17 Ca 0.01 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.92 2k4h h GLU 17 Cb 0.35 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.74 2k4h h GLU 17 CO 0.00 0.00 -1.52 0.00 -0.73 0.00 0.00 179.01 176.76 2k4h h ARG 18 N 0.00 0.35 -6.71 1.92 2.47 -1.50 -3.43 114.38 107.48 2k4h h ARG 18 Ca 0.00 -0.60 -0.53 0.00 -1.26 0.00 0.00 59.98 57.59 2k4h h ARG 18 Cb 0.25 0.22 0.06 0.00 -1.65 0.00 0.00 29.97 28.86 2k4h h ARG 18 CO 0.00 1.25 0.90 0.42 0.56 0.00 0.00 179.97 183.11 2k4h s ILE 19 N -2.61 2.26 -0.09 2.04 1.01 -0.79 -4.96 121.20 118.06 2k4h s ILE 19 Ca -0.10 0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.65 2k4h s ILE 19 Cb 0.06 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 2k4h s ILE 19 CO 0.88 0.02 0.24 -0.13 0.00 0.00 0.00 174.94 175.95 2k4h s ARG 20 N 0.33 3.69 0.52 2.79 0.52 -0.83 -2.39 118.95 123.57 2k4h s ARG 20 Ca 0.67 0.06 0.16 0.00 -0.52 0.00 0.00 55.73 56.10 2k4h s ARG 20 Cb -0.47 -3.23 1.26 0.00 0.52 0.00 0.00 34.95 33.04 2k4h s ARG 20 CO 0.39 0.69 2.14 -0.07 0.02 0.00 0.00 175.30 178.48 2k4h h LEU 21 N 5.08 0.02 -9.07 2.53 3.38 -0.83 -1.88 115.31 114.54 2k4h h LEU 21 Ca -0.52 -0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.91 2k4h h LEU 21 Cb 1.22 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 2k4h h LEU 21 CO 0.61 0.01 -0.75 -0.13 0.09 0.00 0.00 178.44 178.28 2k4h s ARG 22 N -5.09 1.52 0.26 1.13 0.52 -1.26 -4.09 118.95 111.95 2k4h s ARG 22 Ca -0.05 -1.69 0.04 0.00 -0.52 0.00 0.00 55.73 53.51 2k4h s ARG 22 Cb 0.17 -1.48 0.35 0.00 0.52 0.00 0.00 34.95 34.50 2k4h s ARG 22 CO 0.67 0.27 1.64 -1.00 0.02 0.00 0.00 175.30 176.90 2k4h h PRO 23 N 2.41 0.33 0.00 3.54 0.13 -1.94 -3.31 132.00 133.16 2k4h h PRO 23 Ca -0.39 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 2k4h h PRO 23 Cb 1.24 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 2k4h h PRO 23 CO 0.61 0.72 -0.42 0.41 -0.23 0.00 0.00 178.00 179.08 2k4h n GLY 24 N -0.04 2.65 0.48 1.56 0.00 -1.26 -4.99 105.19 103.58 2k4h n GLY 24 Ca -0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.55 1.19 0.00 -0.02 0.00 -1.25 -5.04 105.19 99.52 2k4h n GLY 25 Ca 0.09 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.20 0.27 -3.38 1.61 5.02 -1.26 -4.89 118.16 114.33 2k4h n LYS 26 Ca 0.02 -0.79 -0.38 0.00 -2.02 0.00 0.00 58.31 55.14 2k4h n LYS 26 Cb 0.07 -0.97 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k4h s LYS 27 N -0.30 4.11 0.31 1.97 1.02 -1.26 -5.02 119.74 120.56 2k4h s LYS 27 Ca 0.00 0.54 0.10 0.00 0.02 0.00 0.00 55.97 56.63 2k4h s LYS 27 Cb 0.00 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.98 2k4h s LYS 27 CO 0.00 0.56 -0.13 0.15 -0.92 0.00 0.00 175.35 175.01 2k4h s LYS 28 N -0.72 1.74 0.44 1.68 1.02 -1.26 -0.15 119.74 122.47 2k4h s LYS 28 Ca 0.26 -1.86 -0.25 0.00 0.02 0.00 0.00 55.97 54.15 2k4h s LYS 28 Cb -0.17 -1.66 -0.08 0.00 -0.52 0.00 0.00 37.83 35.39 2k4h s LYS 28 CO 0.15 0.20 1.27 0.71 -0.92 0.00 0.00 175.35 176.75 2k4h s TYR 29 N -2.62 2.78 0.20 3.18 2.02 -1.00 -4.72 117.35 117.18 2k4h s TYR 29 Ca 0.31 1.45 -0.09 0.00 -0.37 0.00 0.00 57.07 58.36 2k4h s TYR 29 Cb -0.00 -3.60 -0.01 0.00 -0.40 0.00 0.00 41.96 37.95 2k4h s TYR 29 CO 0.15 -2.00 0.33 0.50 -1.57 0.00 0.00 175.55 172.97 2k4h s ARG 30 N -2.43 1.29 0.48 -0.62 3.52 -1.26 -4.47 118.95 115.46 2k4h s ARG 30 Ca 0.60 -1.25 0.26 0.00 -0.13 0.00 0.00 55.73 55.21 2k4h s ARG 30 Cb -0.36 0.40 1.32 0.00 -1.56 0.00 0.00 34.95 34.75 2k4h s ARG 30 CO 0.45 -0.49 1.85 -0.07 -0.81 0.00 0.00 175.30 176.22 2k4h h LEU 31 N 2.45 0.19 -0.80 -0.88 4.07 -2.00 0.56 115.31 118.90 2k4h h LEU 31 Ca -0.30 0.03 0.14 0.00 0.08 0.00 0.00 57.88 57.82 2k4h h LEU 31 Cb 1.24 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.88 2k4h h LEU 31 CO 0.44 0.06 0.38 0.50 -1.08 0.00 0.00 178.44 178.75 2k4h h LYS 32 N 0.18 0.55 -0.10 1.13 3.64 -1.99 0.12 116.57 120.09 2k4h h LYS 32 Ca 0.49 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.72 2k4h h LYS 32 Cb 1.61 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 2k4h h LYS 32 CO -0.11 0.36 -0.46 0.45 -2.27 0.00 0.00 179.45 177.43 2k4h h HIS 33 N 0.57 0.30 -0.40 1.91 3.86 -1.29 -2.98 115.15 117.11 2k4h h HIS 33 Ca 0.43 -0.09 -0.13 0.00 -1.16 0.00 0.00 60.37 59.43 2k4h h HIS 33 Cb 0.60 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2k4h h HIS 33 CO -0.12 0.67 -0.24 0.82 0.86 0.00 0.00 177.93 179.92 2k4h h ILE 34 N 0.20 1.28 0.59 2.45 2.04 -0.98 -2.79 117.51 120.30 2k4h h ILE 34 Ca 0.01 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 2k4h h ILE 34 Cb 0.89 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2k4h h ILE 34 CO 0.07 0.47 -0.37 0.58 0.00 0.00 0.00 178.15 178.90 2k4h h VAL 35 N 0.68 0.24 -0.50 1.67 2.07 -1.17 0.26 116.25 119.50 2k4h h VAL 35 Ca 0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.75 2k4h h VAL 35 Cb 0.81 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2k4h h VAL 35 CO 0.07 0.00 0.38 -0.25 0.02 0.00 0.00 177.57 177.79 2k4h h TRP 36 N -0.91 0.00 0.06 1.57 7.01 -1.58 0.37 115.95 122.47 2k4h h TRP 36 Ca -0.07 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.79 2k4h h TRP 36 Cb 0.75 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.82 2k4h h TRP 36 CO -0.11 0.00 -0.58 0.00 -2.79 0.00 0.00 178.44 174.97 2k4h h ALA 37 N 1.71 -0.01 -0.09 2.65 0.00 -1.09 -3.20 119.26 119.23 2k4h h ALA 37 Ca 0.24 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k4h h ALA 37 Cb 0.99 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k4h h ALA 37 CO -0.00 0.29 0.04 0.00 0.00 0.00 0.00 179.25 179.57 2k4h h ALA 38 N 0.18 0.12 -0.88 0.00 0.00 0.63 -2.57 119.26 116.73 2k4h h ALA 38 Ca -0.09 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 54.94 2k4h h ALA 38 Cb 1.37 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 2k4h h ALA 38 CO 0.11 -0.32 0.58 -0.97 0.00 0.00 0.00 179.25 178.66 2k4h h ASN 39 N 0.01 0.42 -0.31 0.00 -1.24 -1.10 -0.15 115.58 113.20 2k4h h ASN 39 Ca 0.03 0.04 -0.07 0.00 0.71 0.00 0.00 56.30 57.01 2k4h h ASN 39 Cb 0.13 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 2k4h h ASN 39 CO -0.00 0.17 -0.08 0.50 -1.29 0.00 0.00 177.43 176.73 2k4h h LYS 40 N 0.42 0.60 -0.41 6.67 1.63 -1.46 -2.72 116.57 121.31 2k4h h LYS 40 Ca 0.46 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2k4h h LYS 40 Cb 1.11 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 2k4h h LYS 40 CO -0.17 0.79 0.26 -0.07 -3.45 0.00 0.00 179.45 176.81 2k4h h LEU 41 N 0.37 0.47 0.32 5.20 3.38 -0.73 0.25 115.31 124.56 2k4h h LEU 41 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2k4h h LEU 41 Cb 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k4h h LEU 41 CO 0.03 0.34 -0.15 -0.78 0.09 0.00 0.00 178.44 177.97 2k4h h ASP 42 N 0.55 -0.36 -0.29 -0.43 1.82 -1.21 0.19 116.42 116.70 2k4h h ASP 42 Ca 0.15 -0.15 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 2k4h h ASP 42 Cb -0.06 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 2k4h h ASP 42 CO -0.03 -0.03 0.04 -0.09 -1.61 0.00 0.00 179.24 177.52 2k4h h ARG 43 N -0.71 0.48 -0.40 0.28 9.65 -1.24 -3.13 114.38 119.32 2k4h h ARG 43 Ca -0.04 -0.13 0.08 0.00 -1.10 0.00 0.00 59.98 58.78 2k4h h ARG 43 Cb 0.49 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.94 2k4h h ARG 43 CO 0.07 0.60 -0.12 0.74 2.80 0.00 0.00 179.97 184.06 2k4h h PHE 44 N 0.29 -0.26 0.00 2.20 0.04 -0.55 -3.46 116.94 115.21 2k4h h PHE 44 Ca 0.09 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2k4h h PHE 44 Cb 0.36 0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.68 2k4h h PHE 44 CO 0.02 -0.19 0.00 0.41 -0.60 0.00 0.00 178.31 177.95 2k4h n GLY 45 N -1.32 -0.09 3.97 -1.45 0.00 -0.76 -5.08 105.19 100.45 2k4h n GLY 45 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 3.16 0.58 0.99 1.02 0.60 -4.99 118.68 120.04 2k4h s LEU 46 Ca 0.00 0.02 -0.05 0.00 0.02 0.00 0.00 54.13 54.12 2k4h s LEU 46 Cb 0.00 -2.80 0.01 0.00 0.02 0.00 0.00 46.19 43.43 2k4h s LEU 46 CO 0.00 -1.31 0.88 0.00 0.02 0.00 0.00 176.35 175.94 2k4h s ALA 47 N -2.89 3.37 -0.14 4.21 0.00 -1.26 -3.82 121.76 121.22 2k4h s ALA 47 Ca 0.59 -0.80 0.19 0.00 0.00 0.00 0.00 51.96 51.94 2k4h s ALA 47 Cb -0.10 -2.52 -0.26 0.00 0.00 0.00 0.00 23.12 20.24 2k4h s ALA 47 CO 0.40 -0.80 0.26 -0.85 0.00 0.00 0.00 175.76 174.77 2k4h n GLU 48 N -2.55 0.67 0.14 0.00 0.28 -1.26 -4.18 120.64 113.75 2k4h n GLU 48 Ca 0.05 -0.03 0.11 0.00 -0.16 0.00 0.00 57.16 57.13 2k4h n GLU 48 Cb 0.58 -1.55 0.53 0.00 1.43 0.00 0.00 31.44 32.43 2k4h n GLU 48 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k4h n SER 49 N -2.64 0.62 0.15 -1.84 7.64 -1.26 -1.56 113.62 114.73 2k4h n SER 49 Ca -0.23 0.71 0.13 0.00 1.01 0.00 0.00 58.87 60.49 2k4h n SER 49 Cb 0.97 -0.82 0.49 0.00 -1.01 0.00 0.00 64.21 63.83 2k4h n SER 49 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k4h h LEU 50 N 0.00 0.00 0.00 -3.43 3.38 -1.91 -2.57 115.31 110.78 2k4h h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k4h h LEU 50 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2k4h h LEU 50 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2k4h n LEU 51 N -2.37 0.00 -0.47 1.67 4.77 -0.60 -1.09 117.00 118.90 2k4h n LEU 51 Ca 0.03 0.39 0.07 0.00 -0.03 0.00 0.00 56.01 56.47 2k4h n LEU 51 Cb 0.29 -0.39 0.19 0.00 -2.33 0.00 0.00 43.42 41.18 2k4h n LEU 51 CO 0.23 -0.06 0.41 -1.84 -1.33 0.00 0.00 177.39 174.80 2k4h n GLU 52 N -1.39 1.48 -3.68 3.23 0.28 -0.97 -4.92 120.64 114.68 2k4h n GLU 52 Ca 0.09 -3.09 -0.10 0.00 -0.16 0.00 0.00 57.16 53.90 2k4h n GLU 52 Cb 0.25 -1.56 -0.10 0.00 1.43 0.00 0.00 31.44 31.45 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 -3.12 -0.44 0.18 -1.84 0.15 -1.15 -5.04 113.70 102.43 2k4h s SER 53 Ca 0.36 0.94 -0.16 0.00 0.70 0.00 0.00 55.95 57.80 2k4h s SER 53 Cb 0.35 0.97 0.13 0.00 -1.71 0.00 0.00 66.02 65.76 2k4h s SER 53 CO -0.04 -0.21 1.67 0.50 1.20 0.00 0.00 173.24 176.36 2k4h h LYS 54 N 7.45 0.04 -0.39 5.44 3.64 -1.88 0.25 116.57 131.12 2k4h h LYS 54 Ca -0.30 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 2k4h h LYS 54 Cb 1.16 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 2k4h h LYS 54 CO 0.24 0.03 0.20 1.49 -2.27 0.00 0.00 179.45 179.13 2k4h h GLU 55 N 0.05 0.54 0.07 1.90 4.81 -1.97 -1.92 114.58 118.06 2k4h h GLU 55 Ca 0.22 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2k4h h GLU 55 Cb 0.33 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2k4h h GLU 55 CO -0.42 0.41 -0.03 0.78 -0.73 0.00 0.00 179.01 179.02 2k4h h GLY 56 N 0.64 -0.10 1.02 1.92 0.00 -1.16 -3.08 103.07 102.31 2k4h h GLY 56 Ca 0.14 0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.60 2k4h h GLY 56 CO -0.02 -0.03 0.41 0.00 0.00 0.00 0.00 176.54 176.90 2k4h h GLN 58 N 0.43 0.78 0.00 0.00 4.15 -1.37 -1.14 115.11 117.95 2k4h h GLN 58 Ca 0.28 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 2k4h h GLN 58 Cb 0.54 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2k4h h GLN 58 CO -0.08 0.76 -0.27 0.87 -1.93 0.00 0.00 178.83 178.18 2k4h h LYS 59 N 0.73 0.00 0.16 1.69 1.57 -1.01 -2.90 116.57 116.81 2k4h h LYS 59 Ca 0.15 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.70 2k4h h LYS 59 Cb 0.39 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.72 2k4h h LYS 59 CO 0.01 0.27 -1.07 0.82 -0.57 0.00 0.00 179.45 178.91 2k4h h ILE 60 N 0.00 1.37 -0.69 1.86 2.04 -1.05 -3.30 117.51 117.74 2k4h h ILE 60 Ca -0.00 -2.54 0.05 0.00 1.00 0.00 0.00 64.86 63.36 2k4h h ILE 60 Cb 0.74 3.08 -0.04 0.00 -0.74 0.00 0.00 36.82 39.85 2k4h h ILE 60 CO 0.03 0.74 0.45 -0.07 0.00 0.00 0.00 178.15 179.30 2k4h h LEU 61 N -0.25 0.67 -1.79 1.44 3.38 -1.19 -0.03 115.31 117.53 2k4h h LEU 61 Ca -0.20 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2k4h h LEU 61 Cb 1.77 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 2k4h h LEU 61 CO 0.16 0.45 -0.16 0.00 0.09 0.00 0.00 178.44 178.98 2k4h h THR 62 N 0.77 0.76 0.15 0.22 1.03 -1.61 0.26 112.91 114.48 2k4h h THR 62 Ca 0.29 -0.62 -0.27 0.00 -0.01 0.00 0.00 66.41 65.80 2k4h h THR 62 Cb 0.16 1.37 0.01 0.00 -1.07 0.00 0.00 68.15 68.62 2k4h h THR 62 CO -0.09 0.15 -1.32 0.58 -0.01 0.00 0.00 175.52 174.83 2k4h h VAL 63 N 0.00 1.16 0.00 0.00 2.07 -1.13 -3.33 116.25 115.02 2k4h h VAL 63 Ca -0.00 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.04 2k4h h VAL 63 Cb 0.36 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 2k4h h VAL 63 CO 0.02 0.74 0.00 -0.07 0.02 0.00 0.00 177.57 178.28 2k4h h LEU 64 N -0.22 0.00 0.42 2.57 3.38 -1.08 -3.29 115.31 117.09 2k4h h LEU 64 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2k4h h LEU 64 Cb 1.82 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 2k4h h LEU 64 CO 0.12 0.00 -0.46 0.44 0.09 0.00 0.00 178.44 178.63 2k4h h ASP 65 N 0.00 -1.27 0.65 -0.43 3.32 -0.59 -2.02 116.42 116.08 2k4h h ASP 65 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2k4h h ASP 65 Cb 0.69 0.42 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2k4h h ASP 65 CO 0.00 -0.59 0.00 -0.81 -1.72 0.00 0.00 179.24 176.12 2k4h n PRO 66 N -5.19 0.13 0.22 3.56 -0.04 -1.25 -2.37 135.00 130.06 2k4h n PRO 66 Ca -0.11 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 63.83 2k4h n PRO 66 Cb 0.41 -1.76 0.37 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.59 0.54 2.86 -1.44 -3.28 114.93 114.19 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 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2k4h h MET 67 CO 0.00 0.20 -0.43 0.28 1.06 0.00 0.00 176.91 178.03 2k4h h VAL 68 N 0.00 0.14 0.00 -2.22 2.07 -1.20 0.16 116.25 115.20 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 0.87 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2k4h h VAL 68 CO 0.03 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.81 2k4h n PRO 69 N -5.54 0.49 -1.95 1.57 -0.04 -1.24 -2.54 135.00 125.74 2k4h n PRO 69 Ca -0.13 0.00 0.00 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 32.44 2k4h n PRO 69 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k4h n THR 70 N -1.00 0.90 -3.82 0.52 -1.04 -0.68 -5.10 114.28 104.06 2k4h n THR 70 Ca 0.12 -2.20 -0.09 0.00 -2.04 0.00 0.00 64.05 59.84 2k4h n THR 70 Cb 0.05 0.82 -0.01 0.00 -1.82 0.00 0.00 70.33 69.37 2k4h n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4h n GLY 71 N -0.17 2.38 0.00 3.41 0.00 0.46 -4.91 105.19 106.36 2k4h n GLY 71 Ca 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.77 1.99 -0.27 1.61 3.41 -1.26 -4.94 113.62 112.39 2k4h n SER 72 Ca -0.00 -0.99 0.04 0.00 -0.26 0.00 0.00 58.87 57.66 2k4h n SER 72 Cb 0.36 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.48 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 0.59 -0.05 4.33 4.81 -1.98 0.31 114.58 122.58 2k4h h GLU 73 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2k4h h GLU 73 Cb 0.00 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2k4h h GLU 73 CO 0.00 0.39 0.14 -0.91 -0.73 0.00 0.00 179.01 177.90 2k4h h ASN 74 N 0.61 0.00 0.03 1.04 2.35 -2.01 -0.85 115.58 116.76 2k4h h ASN 74 Ca 0.40 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.80 2k4h h ASN 74 Cb 0.50 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 2k4h h ASN 74 CO -0.32 0.00 -1.96 -0.11 -1.65 0.00 0.00 177.43 173.40 2k4h n LEU 75 N -3.31 2.28 -0.19 1.61 0.00 0.85 -4.26 117.00 113.98 2k4h n LEU 75 Ca -0.01 0.25 0.08 0.00 0.00 0.00 0.00 56.01 56.33 2k4h n LEU 75 Cb 0.22 -0.97 0.38 0.00 0.00 0.00 0.00 43.42 43.05 2k4h n LEU 75 CO 0.21 0.61 1.21 0.11 0.00 0.00 0.00 177.39 179.54 2k4h h LYS 76 N -0.54 0.68 -0.61 1.96 1.57 -0.39 -1.70 116.57 117.54 2k4h h LYS 76 Ca -0.49 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.32 2k4h h LYS 76 Cb 1.67 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.77 2k4h h LYS 76 CO -0.16 0.45 0.29 0.77 -0.57 0.00 0.00 179.45 180.24 2k4h h SER 77 N 0.70 0.39 -0.13 0.86 0.02 -1.36 -0.48 113.55 113.54 2k4h h SER 77 Ca 0.34 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 2k4h h SER 77 Cb 0.40 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2k4h h SER 77 CO -0.12 0.24 0.03 0.25 -1.14 0.00 0.00 176.83 176.10 2k4h h LEU 78 N 0.54 0.20 -1.13 5.07 5.85 -1.50 -1.93 115.31 122.41 2k4h h LEU 78 Ca 0.29 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2k4h h LEU 78 Cb 0.26 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2k4h h LEU 78 CO -0.23 0.38 0.60 0.15 -0.34 0.00 0.00 178.44 179.00 2k4h h PHE 79 N 0.02 1.04 0.00 1.25 3.57 -1.11 0.24 116.94 121.95 2k4h h PHE 79 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2k4h h PHE 79 Cb 0.26 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2k4h h PHE 79 CO 0.01 0.49 0.00 -0.91 -2.23 0.00 0.00 178.31 175.66 2k4h h ASN 80 N 0.97 0.00 0.23 0.41 4.21 -0.90 -2.83 115.58 117.67 2k4h h ASN 80 Ca 0.43 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.59 2k4h h ASN 80 Cb 0.36 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 2k4h h ASN 80 CO -0.19 0.00 -1.89 0.74 -1.29 0.00 0.00 177.43 174.80 2k4h h THR 81 N 0.00 0.72 -0.00 2.81 2.02 0.12 -3.35 112.91 115.23 2k4h h THR 81 Ca 0.00 -2.45 -0.10 0.00 0.77 0.00 0.00 66.41 64.63 2k4h h THR 81 Cb 0.63 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 2k4h h THR 81 CO 0.00 0.81 -0.46 0.58 0.37 0.00 0.00 175.52 176.81 2k4h h VAL 82 N 0.06 1.33 0.00 3.16 2.07 -0.69 -2.59 116.25 119.59 2k4h h VAL 82 Ca -0.38 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.52 2k4h h VAL 82 Cb 2.03 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 2k4h h VAL 82 CO 0.10 0.46 -0.13 0.00 0.02 0.00 0.00 177.57 178.01 2k4h h VAL 84 N 0.00 1.20 -0.03 0.00 2.07 -1.60 -3.26 116.25 114.63 2k4h h VAL 84 Ca -0.00 -2.74 -0.00 0.00 0.82 0.00 0.00 66.70 64.78 2k4h h VAL 84 Cb 0.52 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 2k4h h VAL 84 CO 0.02 0.84 0.01 0.40 0.02 0.00 0.00 177.57 178.85 2k4h h ILE 85 N 0.11 1.17 -0.49 4.57 1.08 -1.35 -2.96 117.51 119.63 2k4h h ILE 85 Ca -0.26 -0.49 0.09 0.00 -0.39 0.00 0.00 64.86 63.81 2k4h h ILE 85 Cb 2.08 1.45 -0.08 0.00 -3.07 0.00 0.00 36.82 37.21 2k4h h ILE 85 CO 0.21 0.13 0.02 -0.25 -0.69 0.00 0.00 178.15 177.57 2k4h h TRP 86 N -0.16 -0.00 -0.38 1.37 7.01 -1.62 -1.87 115.95 120.30 2k4h h TRP 86 Ca 0.01 0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.12 2k4h h TRP 86 Cb 0.21 0.08 -0.08 0.00 -2.10 0.00 0.00 29.16 27.26 2k4h h TRP 86 CO -0.01 -0.10 -0.17 0.00 -2.79 0.00 0.00 178.44 175.38 2k4h h ILE 88 N -0.10 0.64 0.09 0.00 2.04 -1.18 0.74 117.51 119.75 2k4h h ILE 88 Ca 0.19 -0.15 -0.26 0.00 1.00 0.00 0.00 64.86 65.64 2k4h h ILE 88 Cb 0.39 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2k4h h ILE 88 CO -0.44 0.08 -1.16 0.45 0.00 0.00 0.00 178.15 177.07 2k4h h HIS 89 N 0.44 0.40 -0.12 1.37 3.86 -0.65 -3.19 115.15 117.25 2k4h h HIS 89 Ca 0.52 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2k4h h HIS 89 Cb 1.25 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2k4h h HIS 89 CO -0.00 1.21 0.00 0.00 0.86 0.00 0.00 177.93 179.99 2k4h n ALA 90 N -2.50 2.50 -3.15 2.45 0.00 0.13 -4.82 120.51 115.12 2k4h n ALA 90 Ca -0.07 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 52.98 2k4h n ALA 90 Cb 0.99 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.15 -3.86 -4.47 0.00 1.02 -0.47 -5.02 120.64 107.69 2k4h n GLU 91 Ca 0.07 0.76 -0.33 0.00 -0.02 0.00 0.00 57.16 57.64 2k4h n GLU 91 Cb 0.13 -5.41 -0.15 0.00 -0.02 0.00 0.00 31.44 25.99 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k4h s GLU 92 N -4.70 3.17 -0.20 3.49 0.41 -0.56 -5.03 118.70 115.28 2k4h s GLU 92 Ca 0.21 -0.77 -0.17 0.00 -0.41 0.00 0.00 54.97 53.84 2k4h s GLU 92 Cb -0.03 -2.62 -0.04 0.00 -1.78 0.00 0.00 34.13 29.67 2k4h s GLU 92 CO 0.65 -0.02 0.45 0.15 -0.49 0.00 0.00 175.26 176.00 2k4h s LYS 93 N 0.91 4.17 0.02 1.61 3.01 -1.26 -4.43 119.74 123.77 2k4h s LYS 93 Ca -0.04 0.29 0.00 0.00 -1.01 0.00 0.00 55.97 55.21 2k4h s LYS 93 Cb -0.15 -3.55 -0.00 0.00 -1.01 0.00 0.00 37.83 33.12 2k4h s LYS 93 CO -0.02 -0.10 0.00 1.33 0.51 0.00 0.00 175.35 177.07 2k4h n VAL 94 N 4.47 0.00 0.02 3.17 0.24 -1.26 -5.04 118.33 119.93 2k4h n VAL 94 Ca -0.07 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2k4h n VAL 94 Cb 0.51 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 2k4h n VAL 94 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2k4h n LYS 95 N -0.06 0.00 -4.20 7.34 5.02 -1.26 -4.89 118.16 120.10 2k4h n LYS 95 Ca -0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.13 2k4h n LYS 95 Cb 0.03 -0.23 -0.11 0.00 -0.02 0.00 0.00 35.03 34.70 2k4h n LYS 95 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2k4h s ASP 96 N -5.08 1.61 0.41 4.39 1.47 -1.26 -1.97 116.67 116.24 2k4h s ASP 96 Ca 0.00 -0.86 0.24 0.00 1.18 0.00 0.00 52.55 53.11 2k4h s ASP 96 Cb 0.00 -0.01 1.28 0.00 -0.34 0.00 0.00 42.92 43.85 2k4h s ASP 96 CO 0.00 -0.27 1.67 0.74 0.68 0.00 0.00 175.17 177.99 2k4h h THR 97 N 3.35 0.26 -0.01 2.11 2.02 -1.48 0.30 112.91 119.45 2k4h h THR 97 Ca -0.37 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2k4h h THR 97 Cb 1.19 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2k4h h THR 97 CO 0.55 0.04 0.00 -0.33 0.37 0.00 0.00 175.52 176.16 2k4h h GLU 98 N 0.21 0.02 -0.58 6.66 5.08 -1.87 -1.38 114.58 122.71 2k4h h GLU 98 Ca 0.74 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.09 2k4h h GLU 98 Cb 2.12 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.34 2k4h h GLU 98 CO -0.42 0.20 0.32 0.78 -1.00 0.00 0.00 179.01 178.89 2k4h h GLY 99 N -0.16 0.85 1.43 -3.84 0.00 -0.85 -2.30 103.07 98.20 2k4h h GLY 99 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 2k4h h GLY 99 CO -0.00 0.35 -0.41 0.00 0.00 0.00 0.00 176.54 176.48 2k4h h ALA 100 N 1.55 0.80 -0.43 3.60 0.00 -1.11 -2.76 119.26 120.90 2k4h h ALA 100 Ca 0.21 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2k4h h ALA 100 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2k4h h ALA 100 CO -0.03 0.65 0.07 -0.22 0.00 0.00 0.00 179.25 179.72 2k4h h LYS 101 N 0.51 0.66 0.14 0.00 3.11 -0.70 -2.71 116.57 117.58 2k4h h LYS 101 Ca 0.04 -0.13 -0.01 0.00 -2.81 0.00 0.00 60.65 57.74 2k4h h LYS 101 Cb 0.93 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.06 2k4h h LYS 101 CO 0.08 0.63 -0.07 0.37 -2.81 0.00 0.00 179.45 177.66 2k4h h GLN 102 N 0.64 -0.19 -1.00 1.90 5.75 -1.33 -1.21 115.11 119.68 2k4h h GLN 102 Ca 0.14 0.01 0.22 0.00 -0.15 0.00 0.00 58.65 58.88 2k4h h GLN 102 Cb 0.30 0.04 -0.10 0.00 1.07 0.00 0.00 27.48 28.79 2k4h h GLN 102 CO 0.00 0.20 0.62 0.82 -2.65 0.00 0.00 178.83 177.82 2k4h h ILE 103 N -0.62 0.62 -0.03 2.39 2.04 -1.40 -0.02 117.51 120.49 2k4h h ILE 103 Ca -0.02 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2k4h h ILE 103 Cb 0.47 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2k4h h ILE 103 CO 0.03 0.11 -0.15 0.58 0.00 0.00 0.00 178.15 178.72 2k4h h VAL 104 N 0.59 1.50 -0.18 1.67 2.07 -1.43 -3.06 116.25 117.41 2k4h h VAL 104 Ca 0.59 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 66.49 2k4h h VAL 104 Cb 1.16 2.52 -0.06 0.00 -1.52 0.00 0.00 31.29 33.39 2k4h h VAL 104 CO -0.37 0.45 -0.19 -0.09 0.02 0.00 0.00 177.57 177.40 2k4h h ARG 105 N -0.46 -0.21 -0.97 1.57 2.43 -0.03 -0.99 114.38 115.72 2k4h h ARG 105 Ca -0.01 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 2k4h h ARG 105 Cb 0.82 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.33 2k4h h ARG 105 CO 0.03 -0.14 0.61 -0.09 -1.51 0.00 0.00 179.97 178.87 2k4h h ARG 106 N -0.22 0.83 0.00 0.20 1.12 -1.15 0.20 114.38 115.36 2k4h h ARG 106 Ca 0.11 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.90 2k4h h ARG 106 Cb 0.39 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 30.16 2k4h h ARG 106 CO -0.31 0.55 -0.15 0.45 -3.11 0.00 0.00 179.97 177.40 2k4h h HIS 107 N 0.86 0.00 0.06 2.20 3.86 -1.10 -2.80 115.15 118.23 2k4h h HIS 107 Ca 0.50 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.54 2k4h h HIS 107 Cb 0.65 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 2k4h h HIS 107 CO -0.00 0.15 -0.90 -0.07 0.86 0.00 0.00 177.93 177.97 2k4h h LEU 108 N 0.00 0.19 -1.88 2.43 3.38 0.26 -3.29 115.31 116.40 2k4h h LEU 108 Ca -0.00 -0.82 0.08 0.00 0.09 0.00 0.00 57.88 57.23 2k4h h LEU 108 Cb 0.60 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2k4h h LEU 108 CO 0.02 1.38 0.26 0.58 0.09 0.00 0.00 178.44 180.77 2k4h h VAL 109 N -0.68 0.88 -0.27 1.22 2.07 -1.22 -0.09 116.25 118.16 2k4h h VAL 109 Ca -0.21 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 2k4h h VAL 109 Cb 1.42 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2k4h h VAL 109 CO -0.01 0.03 -0.36 0.00 0.02 0.00 0.00 177.57 177.24 2k4h h ALA 110 N 1.81 0.86 0.00 1.67 0.00 -1.61 -2.86 119.26 119.13 2k4h h ALA 110 Ca 0.17 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 2k4h h ALA 110 Cb 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2k4h h ALA 110 CO -0.02 0.64 -0.77 1.49 0.00 0.00 0.00 179.25 180.58 2k4h h GLU 111 N 0.50 0.00 -0.97 0.00 4.22 -1.20 -3.23 114.58 113.90 2k4h h GLU 111 Ca 0.05 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.11 2k4h h GLU 111 Cb 0.86 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.89 2k4h h GLU 111 CO 0.07 0.77 0.48 2.41 -2.18 0.00 0.00 179.01 180.57 2k4h n THR 112 N -3.31 2.71 -1.82 0.32 -1.04 -0.20 -4.13 114.28 106.81 2k4h n THR 112 Ca 0.01 -1.49 0.05 0.00 -2.04 0.00 0.00 64.05 60.58 2k4h n THR 112 Cb 0.84 -0.56 0.10 0.00 -1.82 0.00 0.00 70.33 68.89 2k4h n THR 112 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4h n GLY 113 N -0.71 3.02 1.57 3.41 0.00 -1.09 -4.77 105.19 106.62 2k4h n GLY 113 Ca 0.46 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 2k4h n GLY 113 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k4h n THR 114 N -0.52 2.12 -0.95 2.61 5.66 -1.26 -4.75 114.28 117.19 2k4h n THR 114 Ca 0.11 -3.54 -0.13 0.00 -3.05 0.00 0.00 64.05 57.45 2k4h n THR 114 Cb 0.81 -0.44 0.24 0.00 -1.55 0.00 0.00 70.33 69.38 2k4h n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4h n ALA 115 N -0.76 4.84 -1.17 1.79 0.00 -1.26 -4.37 120.51 119.57 2k4h n ALA 115 Ca 0.29 -2.37 -0.24 0.00 0.00 0.00 0.00 53.44 51.12 2k4h n ALA 115 Cb 0.87 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 19.17 2k4h n ALA 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k4h n GLU 116 N -0.48 2.24 0.00 0.00 0.28 -1.26 -4.46 120.64 116.96 2k4h n GLU 116 Ca 0.45 -2.94 0.00 0.00 -0.16 0.00 0.00 57.16 54.51 2k4h n GLU 116 Cb 1.43 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 32.15 2k4h n GLU 116 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2k4h n LYS 117 N -1.09 0.00 -3.26 3.44 0.00 -1.26 -5.08 118.16 110.91 2k4h n LYS 117 Ca 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.82 2k4h n LYS 117 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.63 2k4h n LYS 117 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2k4h n MET 118 N -1.08 -1.43 -1.18 1.64 2.81 -1.26 -4.97 117.12 111.64 2k4h n MET 118 Ca 0.00 1.32 -0.29 0.00 -1.81 0.00 0.00 57.70 56.92 2k4h n MET 118 Cb 0.00 -4.78 0.16 0.00 -0.71 0.00 0.00 33.22 27.89 2k4h n MET 118 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2k4h s PRO 119 N -3.50 0.80 -1.09 0.03 0.04 -1.26 -4.91 135.00 125.11 2k4h s PRO 119 Ca 0.01 0.66 -0.22 0.00 0.04 0.00 0.00 61.00 61.49 2k4h s PRO 119 Cb -0.00 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2k4h s PRO 119 CO 0.79 -2.52 1.69 -1.12 0.04 0.00 0.00 177.00 175.88 2k4h s SER 120 N -3.44 6.11 -0.12 6.66 0.01 -1.26 -4.64 113.70 117.02 2k4h s SER 120 Ca 0.64 -1.56 -0.12 0.00 1.31 0.00 0.00 55.95 56.22 2k4h s SER 120 Cb -0.18 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 2k4h s SER 120 CO 0.57 -1.88 -0.24 0.41 0.41 0.00 0.00 173.24 172.50 2k4h n THR 121 N 7.09 1.31 -2.37 1.44 -1.04 -1.26 -4.96 114.28 114.49 2k4h n THR 121 Ca 0.40 0.08 -0.42 0.00 -2.04 0.00 0.00 64.05 62.07 2k4h n THR 121 Cb 0.48 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 66.96 2k4h n THR 121 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2k4h s SER 122 N -6.17 6.96 0.56 8.00 0.15 -1.26 -4.98 113.70 116.95 2k4h s SER 122 Ca -0.22 1.89 -0.21 0.00 0.70 0.00 0.00 55.95 58.11 2k4h s SER 122 Cb 0.05 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 2k4h s SER 122 CO 0.31 -0.67 1.29 0.54 1.20 0.00 0.00 173.24 175.91 2k4h n ARG 123 N 5.62 1.52 -1.17 5.44 1.74 -1.26 -4.99 116.66 123.56 2k4h n ARG 123 Ca 0.12 0.56 -0.29 0.00 -0.77 0.00 0.00 57.85 57.48 2k4h n ARG 123 Cb 0.45 -2.50 0.17 0.00 -1.02 0.00 0.00 32.46 29.57 2k4h n ARG 123 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2k4h s PRO 124 N -2.88 0.45 0.34 5.56 0.04 -1.26 -4.96 135.00 132.29 2k4h s PRO 124 Ca 0.73 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 2k4h s PRO 124 Cb -0.42 -1.74 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 2k4h s PRO 124 CO 0.48 -2.72 1.52 0.95 0.04 0.00 0.00 177.00 177.27 2k4h s THR 125 N -2.96 2.10 0.49 1.26 -4.23 -1.26 -4.93 115.64 106.11 2k4h s THR 125 Ca 0.65 0.10 -0.23 0.00 -1.18 0.00 0.00 61.69 61.02 2k4h s THR 125 Cb -0.19 -3.06 -0.07 0.00 1.34 0.00 0.00 72.50 70.52 2k4h s THR 125 CO 0.58 0.02 1.34 0.00 -0.54 0.00 0.00 174.62 176.02 2k4h n ALA 126 N 1.17 1.59 -2.05 3.99 0.00 -1.26 -4.85 120.51 119.10 2k4h n ALA 126 Ca 0.04 0.19 -0.27 0.00 0.00 0.00 0.00 53.44 53.40 2k4h n ALA 126 Cb 0.39 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.45 2k4h n ALA 126 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k4h s PRO 127 N -2.59 2.54 -0.29 0.00 0.04 -1.26 -4.94 135.00 128.50 2k4h s PRO 127 Ca 0.66 -0.43 -0.20 0.00 0.04 0.00 0.00 61.00 61.08 2k4h s PRO 127 Cb -0.45 -5.09 -0.01 0.00 0.04 0.00 0.00 34.50 28.99 2k4h s PRO 127 CO 0.54 -3.48 0.60 -1.12 0.04 0.00 0.00 177.00 173.58 2k4h s SER 128 N 7.80 6.48 -0.63 6.66 0.01 -1.26 -5.02 113.70 127.73 2k4h s SER 128 Ca 0.70 0.46 -0.16 0.00 1.31 0.00 0.00 55.95 58.25 2k4h s SER 128 Cb -0.06 -2.32 0.14 0.00 0.21 0.00 0.00 66.02 64.00 2k4h s SER 128 CO 0.01 -0.42 0.64 -0.55 0.41 0.00 0.00 173.24 173.33 2k4h s SER 129 N 1.60 6.34 -0.51 2.44 0.15 -1.26 -5.02 113.70 117.43 2k4h s SER 129 Ca 0.24 -1.92 -0.20 0.00 0.70 0.00 0.00 55.95 54.78 2k4h s SER 129 Cb -0.15 -2.24 0.06 0.00 -1.71 0.00 0.00 66.02 61.98 2k4h s SER 129 CO 0.11 -0.87 0.66 -1.61 1.20 0.00 0.00 173.24 172.73 2k4h s GLU 130 N 1.59 3.14 -0.13 5.44 2.02 -1.26 -5.01 118.70 124.49 2k4h s GLU 130 Ca 0.10 -0.86 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 2k4h s GLU 130 Cb -0.23 -4.10 0.04 0.00 0.10 0.00 0.00 34.13 29.94 2k4h s GLU 130 CO 0.01 -1.26 0.02 0.21 0.02 0.00 0.00 175.26 174.26 2k4h s LYS 131 N 2.74 0.56 0.00 1.61 2.47 -1.26 -5.07 119.74 120.80 2k4h s LYS 131 Ca 0.16 -0.12 0.00 0.00 -1.56 0.00 0.00 55.97 54.45 2k4h s LYS 131 Cb -0.19 -1.50 0.00 0.00 -1.46 0.00 0.00 37.83 34.68 2k4h s LYS 131 CO 0.12 -0.47 0.00 0.41 0.16 0.00 0.00 175.35 175.57 2k4h n GLY 132 N 5.12 0.79 0.00 5.54 0.00 -1.26 -5.06 105.19 110.32 2k4h n GLY 132 Ca -0.08 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 2.76 3.89 -0.02 0.00 -1.26 -5.16 105.19 105.39 2k4h n GLY 133 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 2.00 6.32 0.00 1.61 0.01 -1.26 -5.25 114.94 118.37 2k4h s ASN 134 Ca 0.00 1.10 0.00 0.00 -0.71 0.00 0.00 52.86 53.25 2k4h s ASN 134 Cb 0.00 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.34 2k4h s ASN 134 CO 0.00 -0.61 0.49 0.00 -1.51 0.00 0.00 177.10 175.47