#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4h n ALA 3 N 0.00 0.54 -1.93 4.61 0.00 -1.26 -5.14 120.51 117.34 2k4h n ALA 3 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2k4h n ALA 3 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2k4h n ALA 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k4h s ARG 4 N -1.88 2.74 0.29 0.00 6.06 -1.26 -5.09 118.95 119.83 2k4h s ARG 4 Ca 0.00 0.30 0.07 0.00 -2.50 0.00 0.00 55.73 53.60 2k4h s ARG 4 Cb 0.00 -2.07 -0.03 0.00 0.06 0.00 0.00 34.95 32.92 2k4h s ARG 4 CO 0.00 -1.04 0.32 0.54 -2.50 0.00 0.00 175.30 172.62 2k4h s ASN 5 N -4.38 5.70 -0.57 -2.12 2.20 -1.26 -4.77 114.94 109.74 2k4h s ASN 5 Ca 0.58 -0.25 -0.04 0.00 -0.94 0.00 0.00 52.86 52.21 2k4h s ASN 5 Cb -0.11 -1.31 0.00 0.00 -2.00 0.00 0.00 41.25 37.83 2k4h s ASN 5 CO 0.50 -0.23 0.58 -1.20 -2.94 0.00 0.00 177.10 173.81 2k4h n SER 6 N -1.39 -7.09 -0.18 3.54 7.64 -1.26 -4.90 113.62 109.98 2k4h n SER 6 Ca -0.04 0.08 0.03 0.00 1.01 0.00 0.00 58.87 59.95 2k4h n SER 6 Cb 0.58 -4.78 0.31 0.00 -1.01 0.00 0.00 64.21 59.31 2k4h n SER 6 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2k4h h VAL 7 N 0.76 1.12 -3.34 0.44 2.07 -2.03 -3.43 116.25 111.84 2k4h h VAL 7 Ca 0.00 -0.30 -0.40 0.00 0.82 0.00 0.00 66.70 66.82 2k4h h VAL 7 Cb 0.96 0.18 0.20 0.00 -1.52 0.00 0.00 31.29 31.11 2k4h h VAL 7 CO 0.24 0.16 0.07 -0.76 0.02 0.00 0.00 177.57 177.30 2k4h s LEU 8 N -9.76 0.13 0.00 2.57 1.43 -1.26 -5.06 118.68 106.74 2k4h s LEU 8 Ca -0.10 0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 53.52 2k4h s LEU 8 Cb 0.18 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 44.31 2k4h s LEU 8 CO 0.77 -4.59 0.18 -1.14 0.23 0.00 0.00 176.35 171.80 2k4h n ARG 9 N -5.06 -0.14 -0.07 1.70 0.63 -1.26 -4.86 116.66 107.59 2k4h n ARG 9 Ca 0.15 -0.28 -0.14 0.00 -0.92 0.00 0.00 57.85 56.66 2k4h n ARG 9 Cb 0.60 -0.18 -0.13 0.00 0.45 0.00 0.00 32.46 33.20 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 -0.23 0.01 0.70 5.14 0.00 -1.97 -2.73 103.07 103.99 2k4h h GLY 10 Ca -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2k4h h GLY 10 CO 0.04 0.02 -0.09 0.50 0.00 0.00 0.00 176.54 177.01 2k4h h LYS 11 N -0.97 0.26 -0.89 4.80 1.57 -2.01 -3.13 116.57 116.20 2k4h h LYS 11 Ca -0.00 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2k4h h LYS 11 Cb 1.00 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.26 2k4h h LYS 11 CO 0.00 0.65 0.58 0.87 -0.57 0.00 0.00 179.45 180.98 2k4h h LYS 12 N -0.12 1.13 -0.90 3.15 1.79 -1.97 -2.00 116.57 117.65 2k4h h LYS 12 Ca 0.02 -0.07 0.14 0.00 -2.18 0.00 0.00 60.65 58.56 2k4h h LYS 12 Cb 0.58 -0.25 -0.07 0.00 -1.58 0.00 0.00 32.23 30.91 2k4h h LYS 12 CO 0.02 0.75 0.58 0.00 -1.08 0.00 0.00 179.45 179.72 2k4h h ALA 13 N 1.35 1.80 0.00 3.86 0.00 -1.46 0.31 119.26 125.12 2k4h h ALA 13 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2k4h h ALA 13 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2k4h h ALA 13 CO -0.09 -0.04 0.02 0.22 0.00 0.00 0.00 179.25 179.35 2k4h h ASP 14 N 0.72 0.00 0.02 0.00 1.82 -1.31 0.25 116.42 117.93 2k4h h ASP 14 Ca 0.45 0.00 -0.39 0.00 -0.39 0.00 0.00 57.03 56.70 2k4h h ASP 14 Cb 0.69 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.65 2k4h h ASP 14 CO -0.21 0.00 -2.37 -0.62 -1.61 0.00 0.00 179.24 174.43 2k4h n GLU 15 N -2.93 0.66 -0.14 0.28 -0.58 0.99 -3.66 120.64 115.26 2k4h n GLU 15 Ca -0.03 0.19 -0.11 0.00 -0.42 0.00 0.00 57.16 56.79 2k4h n GLU 15 Cb 0.08 -1.56 0.01 0.00 -0.57 0.00 0.00 31.44 29.40 2k4h n GLU 15 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k4h h LEU 16 N -0.09 0.98 -0.03 -4.62 7.12 -0.74 -1.65 115.31 116.29 2k4h h LEU 16 Ca -0.56 -0.39 0.00 0.00 0.13 0.00 0.00 57.88 57.06 2k4h h LEU 16 Cb 1.89 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.75 2k4h h LEU 16 CO -0.09 1.18 -0.02 1.21 -0.13 0.00 0.00 178.44 180.59 2k4h n GLU 17 N -4.09 0.38 -0.07 1.25 2.13 0.84 -3.64 120.64 117.43 2k4h n GLU 17 Ca -0.00 -0.03 -0.22 0.00 0.66 0.00 0.00 57.16 57.57 2k4h n GLU 17 Cb 0.48 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.57 2k4h n GLU 17 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k4h n ARG 18 N -1.29 0.66 -1.58 5.31 5.12 -0.98 -4.74 116.66 119.16 2k4h n ARG 18 Ca 0.13 0.34 -0.47 0.00 -1.93 0.00 0.00 57.85 55.92 2k4h n ARG 18 Cb 0.26 -1.66 -0.03 0.00 -1.16 0.00 0.00 32.46 29.87 2k4h n ARG 18 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2k4h n ILE 19 N -3.83 1.43 -4.14 0.55 5.41 -0.66 -4.88 119.36 113.25 2k4h n ILE 19 Ca -0.37 -0.36 -0.36 0.00 1.00 0.00 0.00 62.75 62.66 2k4h n ILE 19 Cb 0.91 -0.88 -0.08 0.00 -0.71 0.00 0.00 39.64 38.87 2k4h n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4h s ARG 20 N -0.92 3.29 0.61 0.38 0.52 -1.17 -2.08 118.95 119.57 2k4h s ARG 20 Ca 0.66 -0.29 0.38 0.00 -0.52 0.00 0.00 55.73 55.95 2k4h s ARG 20 Cb -0.78 -3.00 2.04 0.00 0.52 0.00 0.00 34.95 33.73 2k4h s ARG 20 CO 0.56 0.68 2.15 -0.07 0.02 0.00 0.00 175.30 178.63 2k4h h LEU 21 N 5.30 0.00 -8.43 2.53 3.38 -0.74 -0.78 115.31 116.56 2k4h h LEU 21 Ca -0.51 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.28 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 0.58 0.00 -0.65 -0.13 0.09 0.00 0.00 178.44 178.32 2k4h s ARG 22 N -4.03 0.90 0.31 1.13 0.52 -1.26 -4.25 118.95 112.27 2k4h s ARG 22 Ca -0.04 -1.42 0.09 0.00 -0.52 0.00 0.00 55.73 53.84 2k4h s ARG 22 Cb 0.11 0.17 0.49 0.00 0.52 0.00 0.00 34.95 36.24 2k4h s ARG 22 CO 0.34 -0.22 1.70 -1.00 0.02 0.00 0.00 175.30 176.14 2k4h h PRO 23 N 2.89 0.09 0.00 3.54 0.13 -1.93 -3.34 132.00 133.39 2k4h h PRO 23 Ca -0.35 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2k4h h PRO 23 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k4h h PRO 23 CO 0.61 0.56 -0.45 0.41 -0.23 0.00 0.00 178.00 178.90 2k4h n GLY 24 N -0.10 0.53 0.00 1.56 0.00 -1.26 -5.01 105.19 100.91 2k4h n GLY 24 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.07 -0.18 2.41 -0.02 0.00 -1.25 -5.05 105.19 101.02 2k4h n GLY 25 Ca 0.01 -1.53 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 1.04 -3.62 1.61 2.85 -1.26 -4.97 118.16 113.81 2k4h n LYS 26 Ca 0.00 -3.10 -0.14 0.00 -1.05 0.00 0.00 58.31 54.02 2k4h n LYS 26 Cb 0.00 -1.41 -0.07 0.00 -0.65 0.00 0.00 35.03 32.91 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2k4h s LYS 27 N -2.21 0.82 0.13 -1.58 1.02 -1.26 -5.08 119.74 111.58 2k4h s LYS 27 Ca 0.33 0.88 0.11 0.00 0.02 0.00 0.00 55.97 57.31 2k4h s LYS 27 Cb 0.38 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 38.05 2k4h s LYS 27 CO -0.04 -0.12 -0.27 -1.59 -0.92 0.00 0.00 175.35 172.42 2k4h s LYS 28 N 0.21 1.42 0.39 1.68 -2.85 -1.26 0.01 119.74 119.34 2k4h s LYS 28 Ca -0.01 -1.34 -0.26 0.00 -1.00 0.00 0.00 55.97 53.37 2k4h s LYS 28 Cb -0.05 -1.91 -0.11 0.00 -2.06 0.00 0.00 37.83 33.70 2k4h s LYS 28 CO 0.01 0.45 1.11 0.66 0.10 0.00 0.00 175.35 177.68 2k4h n TYR 29 N 0.91 1.55 -4.01 1.78 4.01 -0.88 -4.83 117.16 115.68 2k4h n TYR 29 Ca -0.18 0.57 -0.09 0.00 -0.16 0.00 0.00 57.90 58.04 2k4h n TYR 29 Cb 0.53 -2.29 -0.06 0.00 -0.31 0.00 0.00 39.34 37.21 2k4h n TYR 29 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2k4h s ARG 30 N -1.96 1.49 0.47 -0.72 3.52 -1.26 -4.34 118.95 116.15 2k4h s ARG 30 Ca 0.61 -1.28 0.28 0.00 -0.13 0.00 0.00 55.73 55.21 2k4h s ARG 30 Cb -0.57 0.45 1.33 0.00 -1.56 0.00 0.00 34.95 34.60 2k4h s ARG 30 CO 0.58 -0.61 1.79 -0.07 -0.81 0.00 0.00 175.30 176.18 2k4h h LEU 31 N 2.30 0.22 -0.42 -0.88 4.07 -1.99 0.32 115.31 118.93 2k4h h LEU 31 Ca -0.27 0.04 0.08 0.00 0.08 0.00 0.00 57.88 57.81 2k4h h LEU 31 Cb 1.25 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.92 2k4h h LEU 31 CO 0.38 0.03 -0.07 0.50 -1.08 0.00 0.00 178.44 178.20 2k4h h LYS 32 N 0.19 0.04 0.00 1.13 3.11 -1.98 0.14 116.57 119.19 2k4h h LYS 32 Ca 0.58 -0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 58.37 2k4h h LYS 32 Cb 1.89 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.10 2k4h h LYS 32 CO -0.16 0.02 -0.22 0.45 -2.81 0.00 0.00 179.45 176.74 2k4h h HIS 33 N 0.04 0.00 -0.22 1.91 3.86 -1.34 -2.68 115.15 116.71 2k4h h HIS 33 Ca 0.20 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.24 2k4h h HIS 33 Cb 0.31 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 2k4h h HIS 33 CO -0.34 0.22 -0.58 0.82 0.86 0.00 0.00 177.93 178.92 2k4h h ILE 34 N 0.00 1.30 -0.42 2.45 2.04 -0.94 -2.93 117.51 119.01 2k4h h ILE 34 Ca -0.00 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.06 2k4h h ILE 34 Cb 0.40 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2k4h h ILE 34 CO 0.03 0.57 0.26 0.58 0.00 0.00 0.00 178.15 179.59 2k4h h VAL 35 N 0.53 1.13 -0.07 1.67 2.07 -0.91 -0.54 116.25 120.13 2k4h h VAL 35 Ca 0.00 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 2k4h h VAL 35 Cb 1.15 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2k4h h VAL 35 CO 0.12 0.13 -0.13 -0.25 0.02 0.00 0.00 177.57 177.46 2k4h h TRP 36 N 0.56 0.11 0.14 1.57 7.01 -1.53 -2.50 115.95 121.31 2k4h h TRP 36 Ca 0.15 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 2k4h h TRP 36 Cb -0.01 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 2k4h h TRP 36 CO -0.03 0.24 -0.07 0.00 -2.79 0.00 0.00 178.44 175.79 2k4h h ALA 37 N 1.77 -0.18 -0.99 2.65 0.00 -1.20 -3.26 119.26 118.04 2k4h h ALA 37 Ca 0.02 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 54.89 2k4h h ALA 37 Cb 0.30 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 2k4h h ALA 37 CO 0.02 -0.28 0.62 0.00 0.00 0.00 0.00 179.25 179.61 2k4h h ALA 38 N -0.23 1.85 -0.70 0.00 0.00 -1.02 0.20 119.26 119.37 2k4h h ALA 38 Ca -0.02 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2k4h h ALA 38 Cb 0.54 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2k4h h ALA 38 CO 0.03 -0.21 0.46 -0.97 0.00 0.00 0.00 179.25 178.57 2k4h h ASN 39 N 0.65 0.47 -0.06 0.00 -1.24 -1.49 -1.97 115.58 111.94 2k4h h ASN 39 Ca 0.56 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.49 2k4h h ASN 39 Cb 1.02 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.99 2k4h h ASN 39 CO -0.33 0.28 -0.33 0.50 -1.29 0.00 0.00 177.43 176.26 2k4h h LYS 40 N 0.52 0.32 -0.72 6.67 1.63 -0.67 -3.11 116.57 121.21 2k4h h LYS 40 Ca 0.33 -0.27 0.21 0.00 -0.85 0.00 0.00 60.65 60.07 2k4h h LYS 40 Cb 0.57 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 2k4h h LYS 40 CO -0.11 0.92 0.58 -0.07 -3.45 0.00 0.00 179.45 177.32 2k4h h LEU 41 N -0.19 0.00 0.13 5.20 3.38 -0.99 -1.39 115.31 121.44 2k4h h LEU 41 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2k4h h LEU 41 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2k4h h LEU 41 CO 0.07 0.00 -0.06 -0.78 0.09 0.00 0.00 178.44 177.76 2k4h h ASP 42 N 0.00 -0.14 -0.73 -0.43 1.82 -1.43 0.33 116.42 115.84 2k4h h ASP 42 Ca 0.34 -0.40 0.21 0.00 -0.39 0.00 0.00 57.03 56.80 2k4h h ASP 42 Cb 1.50 0.04 -0.03 0.00 0.68 0.00 0.00 39.33 41.52 2k4h h ASP 42 CO -0.00 0.46 0.69 0.03 -1.61 0.00 0.00 179.24 178.81 2k4h h ARG 43 N -0.89 0.00 0.02 0.28 2.47 -1.20 -1.42 114.38 113.63 2k4h h ARG 43 Ca -0.02 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.35 2k4h h ARG 43 Cb 0.53 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.80 2k4h h ARG 43 CO 0.03 0.00 -1.99 1.19 0.56 0.00 0.00 179.97 179.76 2k4h n PHE 44 N -3.77 0.58 0.00 3.04 3.72 -0.96 -5.05 117.46 115.02 2k4h n PHE 44 Ca 0.15 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.75 2k4h n PHE 44 Cb 0.95 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 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 1.58 3.97 3.50 1.37 0.00 0.11 -5.11 105.19 110.61 2k4h n GLY 45 Ca -0.42 -0.62 -0.53 0.00 0.00 0.00 0.00 46.02 44.45 2k4h n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4h n LEU 46 N 0.00 0.24 -4.75 0.99 4.77 -0.51 -4.75 117.00 113.00 2k4h n LEU 46 Ca 0.00 1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 56.72 2k4h n LEU 46 Cb 0.00 -1.03 -0.04 0.00 -2.33 0.00 0.00 43.42 40.03 2k4h n LEU 46 CO 0.00 -1.94 0.85 0.00 -1.33 0.00 0.00 177.39 174.97 2k4h s ALA 47 N -0.26 3.42 0.25 -1.18 0.00 -1.26 -3.86 121.76 118.87 2k4h s ALA 47 Ca 0.79 0.93 0.36 0.00 0.00 0.00 0.00 51.96 54.04 2k4h s ALA 47 Cb -1.05 -3.38 1.72 0.00 0.00 0.00 0.00 23.12 20.41 2k4h s ALA 47 CO 0.55 -0.30 2.09 1.05 0.00 0.00 0.00 175.76 179.15 2k4h h GLU 48 N 4.73 0.00 0.00 0.00 4.11 -1.89 -1.91 114.58 119.62 2k4h h GLU 48 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2k4h h GLU 48 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k4h h GLU 48 CO 0.72 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.67 2k4h n SER 49 N -2.97 0.25 -0.07 3.06 3.41 -1.26 -1.72 113.62 114.32 2k4h n SER 49 Ca -0.01 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 2k4h n SER 49 Cb 0.20 -0.62 0.74 0.00 -0.26 0.00 0.00 64.21 64.26 2k4h n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k4h n LEU 50 N -1.79 0.22 -0.02 1.04 4.77 -0.72 -3.34 117.00 117.16 2k4h n LEU 50 Ca 0.02 -0.08 0.15 0.00 -0.03 0.00 0.00 56.01 56.07 2k4h n LEU 50 Cb 0.15 -0.01 0.91 0.00 -2.33 0.00 0.00 43.42 42.14 2k4h n LEU 50 CO 0.13 0.04 1.08 0.18 -1.33 0.00 0.00 177.39 177.49 2k4h n LEU 51 N -0.75 0.06 -1.53 2.23 4.77 -0.70 -3.30 117.00 117.77 2k4h n LEU 51 Ca 0.19 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 56.02 2k4h n LEU 51 Cb 0.13 -0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.32 2k4h n LEU 51 CO 0.15 0.01 0.42 -1.84 -1.33 0.00 0.00 177.39 174.79 2k4h n GLU 52 N -0.94 2.71 -3.59 3.23 0.28 -1.21 -4.97 120.64 116.15 2k4h n GLU 52 Ca 0.23 -3.71 -0.02 0.00 -0.16 0.00 0.00 57.16 53.50 2k4h n GLU 52 Cb 0.12 -2.03 -0.06 0.00 1.43 0.00 0.00 31.44 30.90 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 -3.19 -0.66 0.19 -1.84 0.15 -1.21 -5.05 113.70 102.10 2k4h s SER 53 Ca 0.48 1.00 -0.13 0.00 0.70 0.00 0.00 55.95 58.00 2k4h s SER 53 Cb 0.41 1.43 0.21 0.00 -1.71 0.00 0.00 66.02 66.36 2k4h s SER 53 CO -0.00 -0.15 1.68 0.07 1.20 0.00 0.00 173.24 176.04 2k4h h LYS 54 N 6.70 0.13 -0.59 5.44 2.10 -1.86 -0.92 116.57 127.57 2k4h h LYS 54 Ca -0.25 -0.01 0.10 0.00 -2.00 0.00 0.00 60.65 58.50 2k4h h LYS 54 Cb 1.18 -0.03 -0.08 0.00 -0.90 0.00 0.00 32.23 32.40 2k4h h LYS 54 CO 0.16 0.09 0.17 0.93 -2.00 0.00 0.00 179.45 178.79 2k4h h GLU 55 N 0.13 0.30 -0.62 0.07 5.08 -1.96 0.30 114.58 117.88 2k4h h GLU 55 Ca 0.27 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 2k4h h GLU 55 Cb 0.40 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2k4h h GLU 55 CO -0.42 0.20 0.23 0.78 -1.00 0.00 0.00 179.01 178.80 2k4h h GLY 56 N 0.31 1.01 1.96 -3.84 0.00 -1.42 -2.66 103.07 98.44 2k4h h GLY 56 Ca 0.31 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 2k4h h GLY 56 CO -0.36 0.53 -0.48 0.00 0.00 0.00 0.00 176.54 176.23 2k4h h GLN 58 N 0.03 1.16 0.00 0.00 4.15 -0.09 -0.62 115.11 119.75 2k4h h GLN 58 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2k4h h GLN 58 Cb 0.87 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.30 2k4h h GLN 58 CO 0.06 0.77 0.00 0.87 -1.93 0.00 0.00 178.83 178.60 2k4h h LYS 59 N 1.19 0.00 0.11 1.69 1.57 -1.40 -2.96 116.57 116.78 2k4h h LYS 59 Ca 0.33 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.87 2k4h h LYS 59 Cb -0.11 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.23 2k4h h LYS 59 CO -0.08 0.00 -1.04 0.82 -0.57 0.00 0.00 179.45 178.58 2k4h h ILE 60 N 0.00 1.37 -0.75 1.86 2.04 -1.13 -3.04 117.51 117.86 2k4h h ILE 60 Ca 0.00 -2.42 -0.02 0.00 1.00 0.00 0.00 64.86 63.42 2k4h h ILE 60 Cb 0.46 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 2k4h h ILE 60 CO 0.00 0.72 0.38 -0.07 0.00 0.00 0.00 178.15 179.17 2k4h h LEU 61 N 0.04 0.97 -1.37 1.44 3.38 -1.28 0.28 115.31 118.77 2k4h h LEU 61 Ca -0.16 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 2k4h h LEU 61 Cb 1.75 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2k4h h LEU 61 CO 0.20 0.82 -0.28 0.00 0.09 0.00 0.00 178.44 179.27 2k4h h THR 62 N 1.05 1.22 0.18 0.22 1.03 -1.63 0.26 112.91 115.24 2k4h h THR 62 Ca 0.26 -1.02 -0.31 0.00 -0.01 0.00 0.00 66.41 65.33 2k4h h THR 62 Cb 0.09 1.51 0.03 0.00 -1.07 0.00 0.00 68.15 68.71 2k4h h THR 62 CO -0.04 0.30 -1.34 0.58 -0.01 0.00 0.00 175.52 175.01 2k4h h VAL 63 N 0.05 1.32 0.00 0.00 2.07 -1.28 -3.27 116.25 115.14 2k4h h VAL 63 Ca 0.01 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.87 2k4h h VAL 63 Cb 0.53 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 2k4h h VAL 63 CO 0.04 0.80 0.00 -0.07 0.02 0.00 0.00 177.57 178.36 2k4h h LEU 64 N 0.19 0.00 0.13 2.57 3.38 -0.76 -3.29 115.31 117.53 2k4h h LEU 64 Ca -0.21 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2k4h h LEU 64 Cb 2.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.74 2k4h h LEU 64 CO 0.25 0.00 -0.43 0.44 0.09 0.00 0.00 178.44 178.79 2k4h h ASP 65 N 0.00 -1.27 0.85 -0.43 3.32 -0.54 -1.54 116.42 116.81 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 0.98 0.46 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2k4h h ASP 65 CO 0.00 -0.46 0.00 1.55 -1.72 0.00 0.00 179.24 178.61 2k4h h PRO 66 N -0.63 0.00 0.00 3.56 0.13 -1.72 -2.59 132.00 130.75 2k4h h PRO 66 Ca -0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2k4h h PRO 66 Cb 0.62 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 2k4h h PRO 66 CO -0.22 0.00 -0.03 0.52 -0.23 0.00 0.00 178.00 178.04 2k4h h MET 67 N 0.00 0.00 0.79 0.86 2.86 -1.38 -3.28 114.93 114.79 2k4h h MET 67 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2k4h h MET 67 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2k4h h MET 67 CO 0.00 0.03 -0.42 0.28 1.06 0.00 0.00 176.91 177.87 2k4h h VAL 68 N 0.00 0.15 0.00 -2.22 2.07 -0.92 0.15 116.25 115.48 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 0.78 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 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 -5.58 0.42 -2.78 1.57 -0.04 -1.24 -2.77 135.00 124.58 2k4h n PRO 69 Ca -0.15 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.33 2k4h n PRO 69 Cb 0.45 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.07 1.35 -4.05 0.52 -1.04 -0.87 -5.10 114.28 104.03 2k4h n THR 70 Ca 0.11 -3.01 -0.14 0.00 -2.04 0.00 0.00 64.05 58.97 2k4h n THR 70 Cb 0.07 1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 69.69 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 -0.60 2.35 0.05 3.41 0.00 0.46 -4.87 105.19 105.97 2k4h n GLY 71 Ca 0.09 -1.63 -0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.71 1.86 -0.31 1.61 3.41 -1.26 -4.91 113.62 112.31 2k4h n SER 72 Ca 0.02 -1.03 0.03 0.00 -0.26 0.00 0.00 58.87 57.63 2k4h n SER 72 Cb 0.53 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.66 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 0.86 0.00 4.33 5.08 -1.99 0.27 114.58 123.13 2k4h h GLU 73 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k4h h GLU 73 Cb 0.02 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2k4h h GLU 73 CO 0.01 0.57 0.00 -0.97 -1.00 0.00 0.00 179.01 177.62 2k4h h ASN 74 N 0.89 0.00 0.00 1.42 -0.73 -2.00 -1.17 115.58 113.98 2k4h h ASN 74 Ca 0.41 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 58.30 2k4h h ASN 74 Cb 0.34 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.89 2k4h h ASN 74 CO -0.23 0.00 -1.89 -0.11 -0.37 0.00 0.00 177.43 174.83 2k4h n LEU 75 N -2.84 1.94 -0.30 0.34 0.00 0.59 -4.32 117.00 112.41 2k4h n LEU 75 Ca -0.02 0.35 0.17 0.00 0.00 0.00 0.00 56.01 56.51 2k4h n LEU 75 Cb 0.07 -0.81 0.43 0.00 0.00 0.00 0.00 43.42 43.12 2k4h n LEU 75 CO 0.17 0.24 1.21 0.11 0.00 0.00 0.00 177.39 179.13 2k4h h LYS 76 N -1.00 0.55 -0.87 1.96 1.57 -0.52 0.52 116.57 118.77 2k4h h LYS 76 Ca -0.43 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.38 2k4h h LYS 76 Cb 1.35 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 2k4h h LYS 76 CO -0.26 0.36 0.54 0.77 -0.57 0.00 0.00 179.45 180.29 2k4h h SER 77 N 0.56 0.85 -0.26 0.86 0.02 -1.43 -2.33 113.55 111.81 2k4h h SER 77 Ca 0.52 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.44 2k4h h SER 77 Cb 1.08 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2k4h h SER 77 CO -0.26 0.54 -0.02 0.25 -1.14 0.00 0.00 176.83 176.20 2k4h h LEU 78 N 0.98 0.47 -1.62 5.07 5.85 -1.10 -2.46 115.31 122.50 2k4h h LEU 78 Ca 0.38 -0.33 0.22 0.00 0.84 0.00 0.00 57.88 58.99 2k4h h LEU 78 Cb 0.17 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 2k4h h LEU 78 CO -0.17 0.69 0.61 0.15 -0.34 0.00 0.00 178.44 179.37 2k4h h PHE 79 N 0.25 0.41 0.06 1.25 3.57 -1.03 0.28 116.94 121.73 2k4h h PHE 79 Ca 0.07 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.31 2k4h h PHE 79 Cb 0.46 -0.13 0.02 0.00 2.79 0.00 0.00 35.95 39.09 2k4h h PHE 79 CO 0.04 0.10 -1.12 -0.91 -2.23 0.00 0.00 178.31 174.19 2k4h h ASN 80 N 0.30 0.77 -0.23 0.41 2.35 -1.23 -3.21 115.58 114.75 2k4h h ASN 80 Ca 0.47 -0.67 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 2k4h h ASN 80 Cb 1.32 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 2k4h h ASN 80 CO -0.14 1.48 -0.12 0.74 -1.65 0.00 0.00 177.43 177.73 2k4h h THR 81 N 0.28 1.31 -0.26 2.81 2.02 -0.41 -2.89 112.91 115.78 2k4h h THR 81 Ca -0.14 -1.21 0.07 0.00 0.77 0.00 0.00 66.41 65.90 2k4h h THR 81 Cb 1.78 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 2k4h h THR 81 CO 0.21 0.37 0.24 0.58 0.37 0.00 0.00 175.52 177.29 2k4h h VAL 82 N 0.20 0.55 -0.33 3.16 2.07 -0.66 -0.24 116.25 121.00 2k4h h VAL 82 Ca 0.05 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.42 2k4h h VAL 82 Cb 0.63 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2k4h h VAL 82 CO 0.04 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.23 2k4h h VAL 84 N 0.65 1.28 0.68 0.00 2.07 -1.06 -2.81 116.25 117.06 2k4h h VAL 84 Ca 0.05 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 2k4h h VAL 84 Cb 0.96 1.66 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2k4h h VAL 84 CO 0.09 0.56 -0.33 0.40 0.02 0.00 0.00 177.57 178.31 2k4h h ILE 85 N 0.63 0.25 -0.90 4.57 1.08 -1.39 -2.71 117.51 119.04 2k4h h ILE 85 Ca 0.01 -0.18 0.18 0.00 -0.39 0.00 0.00 64.86 64.49 2k4h h ILE 85 Cb 1.14 0.30 -0.11 0.00 -3.07 0.00 0.00 36.82 35.08 2k4h h ILE 85 CO 0.12 0.02 0.46 -0.25 -0.69 0.00 0.00 178.15 177.81 2k4h h TRP 86 N -1.05 0.79 0.07 1.37 7.01 -1.49 -1.53 115.95 121.13 2k4h h TRP 86 Ca -0.09 0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.97 2k4h h TRP 86 Cb 0.73 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.54 2k4h h TRP 86 CO -0.01 0.10 -0.28 0.00 -2.79 0.00 0.00 178.44 175.47 2k4h h ILE 88 N -0.47 0.62 0.00 0.00 2.04 -0.96 0.27 117.51 119.01 2k4h h ILE 88 Ca 0.04 -0.16 -0.18 0.00 1.00 0.00 0.00 64.86 65.56 2k4h h ILE 88 Cb 0.52 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2k4h h ILE 88 CO -0.19 0.08 -0.85 0.45 0.00 0.00 0.00 178.15 177.64 2k4h h HIS 89 N 0.46 0.13 -0.31 1.37 3.86 -0.97 -3.11 115.15 116.57 2k4h h HIS 89 Ca 0.54 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 2k4h h HIS 89 Cb 1.28 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.74 2k4h h HIS 89 CO -0.00 0.89 0.00 0.00 0.86 0.00 0.00 177.93 179.68 2k4h n ALA 90 N -2.42 2.92 -0.98 2.45 0.00 0.67 -4.73 120.51 118.43 2k4h n ALA 90 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2k4h n ALA 90 Cb 0.80 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 0.39 -1.04 -2.45 0.00 2.13 -0.78 -4.95 120.64 113.93 2k4h n GLU 91 Ca 0.13 0.26 -0.42 0.00 0.66 0.00 0.00 57.16 57.79 2k4h n GLU 91 Cb 0.57 -4.09 -0.03 0.00 0.27 0.00 0.00 31.44 28.16 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 -1.09 4.37 -0.21 5.31 0.41 0.41 -4.97 118.70 122.93 2k4h s GLU 92 Ca 0.00 1.69 -0.08 0.00 -0.41 0.00 0.00 54.97 56.17 2k4h s GLU 92 Cb 0.00 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.80 2k4h s GLU 92 CO 0.00 -0.40 0.08 0.15 -0.49 0.00 0.00 175.26 174.61 2k4h s LYS 93 N 1.93 3.91 -0.06 1.61 1.02 -1.26 -3.77 119.74 123.13 2k4h s LYS 93 Ca 0.57 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.23 2k4h s LYS 93 Cb -0.26 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 2k4h s LYS 93 CO 0.24 0.12 -0.15 0.14 -0.92 0.00 0.00 175.35 174.77 2k4h s VAL 94 N 0.82 1.34 0.00 3.17 -7.23 -1.26 -5.03 120.40 112.21 2k4h s VAL 94 Ca 0.04 -0.63 -0.20 0.00 -1.81 0.00 0.00 61.98 59.38 2k4h s VAL 94 Cb -0.13 -1.18 -0.22 0.00 0.56 0.00 0.00 36.38 35.41 2k4h s VAL 94 CO 0.02 0.39 1.12 0.11 -0.31 0.00 0.00 175.10 176.44 2k4h h LYS 95 N 6.59 0.39 -4.74 4.82 1.57 -1.96 -3.44 116.57 119.79 2k4h h LYS 95 Ca -0.31 -0.39 -0.29 0.00 -1.87 0.00 0.00 60.65 57.80 2k4h h LYS 95 Cb 1.19 0.10 -0.20 0.00 0.08 0.00 0.00 32.23 33.40 2k4h h LYS 95 CO 0.48 1.05 -0.73 0.16 -0.57 0.00 0.00 179.45 179.84 2k4h s ASP 96 N -6.65 1.10 0.23 0.86 1.47 -1.26 -3.06 116.67 109.37 2k4h s ASP 96 Ca -0.14 -0.67 -0.11 0.00 1.18 0.00 0.00 52.55 52.81 2k4h s ASP 96 Cb 0.03 0.03 0.32 0.00 -0.34 0.00 0.00 42.92 42.96 2k4h s ASP 96 CO 0.81 -0.24 1.62 0.74 0.68 0.00 0.00 175.17 178.78 2k4h h THR 97 N 4.09 0.29 -0.98 2.11 2.02 -1.31 0.71 112.91 119.84 2k4h h THR 97 Ca -0.37 -0.01 0.28 0.00 0.77 0.00 0.00 66.41 67.09 2k4h h THR 97 Cb 1.19 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 2k4h h THR 97 CO 0.46 0.00 0.72 -0.33 0.37 0.00 0.00 175.52 176.74 2k4h h GLU 98 N 0.02 0.00 -0.01 6.66 5.08 -1.85 0.40 114.58 124.87 2k4h h GLU 98 Ca 0.36 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.53 2k4h h GLU 98 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2k4h h GLU 98 CO -0.72 0.00 -0.82 0.78 -1.00 0.00 0.00 179.01 177.25 2k4h h GLY 99 N 0.00 0.22 2.00 -3.84 0.00 0.03 -3.19 103.07 98.29 2k4h h GLY 99 Ca 0.46 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 2k4h h GLY 99 CO -0.00 0.32 -0.74 0.00 0.00 0.00 0.00 176.54 176.11 2k4h h ALA 100 N 1.03 0.78 0.00 3.60 0.00 -0.03 -2.49 119.26 122.15 2k4h h ALA 100 Ca -0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.17 2k4h h ALA 100 Cb 1.42 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2k4h h ALA 100 CO 0.12 0.92 -0.16 -0.22 0.00 0.00 0.00 179.25 179.92 2k4h h LYS 101 N 0.00 0.00 0.00 0.00 3.64 -1.33 -2.22 116.57 116.66 2k4h h LYS 101 Ca -0.01 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2k4h h LYS 101 Cb 1.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2k4h h LYS 101 CO 0.10 0.16 -0.67 1.96 -2.27 0.00 0.00 179.45 178.72 2k4h h GLN 102 N 0.00 0.00 -0.60 1.90 1.08 -1.53 -2.91 115.11 113.04 2k4h h GLN 102 Ca -0.00 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.31 2k4h h GLN 102 Cb 0.57 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.92 2k4h h GLN 102 CO 0.02 0.43 0.12 0.82 -0.95 0.00 0.00 178.83 179.26 2k4h h ILE 103 N -1.00 0.62 -0.20 2.54 2.04 -1.50 -0.85 117.51 119.17 2k4h h ILE 103 Ca -0.12 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 2k4h h ILE 103 Cb 0.76 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2k4h h ILE 103 CO -0.07 0.04 -0.11 0.58 0.00 0.00 0.00 178.15 178.59 2k4h h VAL 104 N 0.24 1.31 -0.94 1.67 2.07 -1.59 -2.98 116.25 116.03 2k4h h VAL 104 Ca 0.32 -1.19 0.17 0.00 0.82 0.00 0.00 66.70 66.82 2k4h h VAL 104 Cb 0.48 1.67 -0.10 0.00 -1.52 0.00 0.00 31.29 31.82 2k4h h VAL 104 CO -0.42 0.36 0.54 -0.09 0.02 0.00 0.00 177.57 177.98 2k4h h ARG 105 N 0.11 0.69 -0.65 1.57 2.43 -1.16 0.21 114.38 117.58 2k4h h ARG 105 Ca 0.04 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2k4h h ARG 105 Cb 0.61 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2k4h h ARG 105 CO 0.03 0.45 0.19 0.00 -1.51 0.00 0.00 179.97 179.13 2k4h h ARG 106 N 0.71 1.03 -0.13 0.20 2.47 -1.11 -2.27 114.38 115.27 2k4h h ARG 106 Ca 0.53 -0.23 -0.05 0.00 -1.26 0.00 0.00 59.98 58.97 2k4h h ARG 106 Cb 0.80 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 2k4h h ARG 106 CO -0.38 0.91 -0.13 0.45 0.56 0.00 0.00 179.97 181.38 2k4h h HIS 107 N 0.96 0.21 -0.02 3.04 3.86 -0.83 -2.27 115.15 120.10 2k4h h HIS 107 Ca 0.21 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 2k4h h HIS 107 Cb 0.32 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2k4h h HIS 107 CO 0.02 0.34 -0.16 -0.07 0.86 0.00 0.00 177.93 178.93 2k4h h LEU 108 N 0.20 0.17 -1.58 2.43 3.38 -0.99 -3.24 115.31 115.67 2k4h h LEU 108 Ca 0.04 -0.71 0.09 0.00 0.09 0.00 0.00 57.88 57.39 2k4h h LEU 108 Cb 0.36 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2k4h h LEU 108 CO 0.02 0.86 0.41 0.58 0.09 0.00 0.00 178.44 180.40 2k4h h VAL 109 N -0.51 0.92 0.00 1.22 2.07 -1.32 0.23 116.25 118.87 2k4h h VAL 109 Ca -0.02 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2k4h h VAL 109 Cb 0.86 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2k4h h VAL 109 CO 0.03 0.09 -0.12 0.00 0.02 0.00 0.00 177.57 177.58 2k4h h ALA 110 N 1.68 1.78 0.00 1.67 0.00 -1.43 -2.05 119.26 120.90 2k4h h ALA 110 Ca 0.28 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 2k4h h ALA 110 Cb 0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2k4h h ALA 110 CO -0.08 0.16 -1.06 1.49 0.00 0.00 0.00 179.25 179.75 2k4h h GLU 111 N 0.00 0.00 0.00 0.00 4.81 -1.01 -3.28 114.58 115.10 2k4h h GLU 111 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2k4h h GLU 111 Cb 0.22 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2k4h h GLU 111 CO 0.02 0.69 -0.06 1.15 -0.73 0.00 0.00 179.01 180.08 2k4h h THR 112 N 0.00 0.59 -0.65 0.32 2.02 -0.77 -1.61 112.91 112.80 2k4h h THR 112 Ca -0.08 -0.24 -0.28 0.00 0.77 0.00 0.00 66.41 66.59 2k4h h THR 112 Cb 1.70 1.15 -0.17 0.00 -1.74 0.00 0.00 68.15 69.09 2k4h h THR 112 CO 0.09 0.05 0.35 0.61 0.37 0.00 0.00 175.52 177.00 2k4h n GLY 113 N -1.07 3.50 1.05 2.16 0.00 -1.18 -4.06 105.19 105.59 2k4h n GLY 113 Ca -0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.39 0.00 -2.69 2.61 5.66 -0.62 -5.00 114.28 113.85 2k4h n THR 114 Ca 0.38 -0.07 -0.06 0.00 -3.05 0.00 0.00 64.05 61.25 2k4h n THR 114 Cb 1.26 0.46 0.09 0.00 -1.55 0.00 0.00 70.33 70.58 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 -0.11 -1.33 -2.12 1.79 0.00 -1.12 -5.01 120.51 112.61 2k4h n ALA 115 Ca -0.23 -0.97 -0.23 0.00 0.00 0.00 0.00 53.44 52.02 2k4h n ALA 115 Cb 0.64 -1.68 0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 0.09 3.47 -0.83 0.00 0.00 -1.26 -4.72 120.64 117.39 2k4h n GLU 116 Ca -0.04 -4.16 -0.05 0.00 0.00 0.00 0.00 57.16 52.90 2k4h n GLU 116 Cb 0.74 -2.23 0.21 0.00 0.00 0.00 0.00 31.44 30.15 2k4h n GLU 116 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2k4h n LYS 117 N -0.67 2.05 -3.52 3.44 2.85 -1.26 -4.98 118.16 116.06 2k4h n LYS 117 Ca 0.41 -3.13 -0.16 0.00 -1.05 0.00 0.00 58.31 54.38 2k4h n LYS 117 Cb 0.93 -1.87 -0.05 0.00 -0.65 0.00 0.00 35.03 33.38 2k4h n LYS 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k4h s MET 118 N -3.21 1.01 -0.86 -1.58 0.23 -1.26 -5.10 119.30 108.54 2k4h s MET 118 Ca 0.46 0.15 -0.25 0.00 -1.03 0.00 0.00 55.69 55.03 2k4h s MET 118 Cb 0.41 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 34.14 2k4h s MET 118 CO 0.02 -0.33 1.93 -1.25 -2.03 0.00 0.00 175.02 173.37 2k4h s PRO 119 N -1.49 2.56 0.06 3.16 0.04 -1.26 -4.76 135.00 133.31 2k4h s PRO 119 Ca -0.08 -0.15 0.03 0.00 0.04 0.00 0.00 61.00 60.84 2k4h s PRO 119 Cb -0.00 -4.96 -0.24 0.00 0.04 0.00 0.00 34.50 29.33 2k4h s PRO 119 CO 0.06 -3.28 1.06 0.77 0.04 0.00 0.00 177.00 175.65 2k4h h SER 120 N 11.86 0.18 -3.43 6.66 0.02 -1.99 -3.45 113.55 123.41 2k4h h SER 120 Ca 0.04 -0.22 -0.54 0.00 -0.84 0.00 0.00 61.79 60.23 2k4h h SER 120 Cb 1.03 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 2k4h h SER 120 CO 1.21 1.18 0.31 0.42 -1.14 0.00 0.00 176.83 178.81 2k4h s THR 121 N -2.66 4.83 -0.04 -2.27 -4.23 -1.26 -5.05 115.64 104.96 2k4h s THR 121 Ca -0.03 1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 62.34 2k4h s THR 121 Cb 0.08 -4.26 0.01 0.00 1.34 0.00 0.00 72.50 69.67 2k4h s THR 121 CO 0.84 0.22 0.18 -0.44 -0.54 0.00 0.00 174.62 174.87 2k4h s SER 122 N 0.73 -0.11 0.06 3.99 0.01 -1.26 -5.17 113.70 111.96 2k4h s SER 122 Ca 0.48 0.12 0.09 0.00 1.31 0.00 0.00 55.95 57.95 2k4h s SER 122 Cb -0.21 0.31 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 2k4h s SER 122 CO 0.26 -0.22 -0.25 -0.13 0.41 0.00 0.00 173.24 173.32 2k4h s ARG 123 N -0.61 1.78 0.89 12.44 0.52 -1.26 -5.14 118.95 127.58 2k4h s ARG 123 Ca -0.07 -1.13 -0.11 0.00 -0.52 0.00 0.00 55.73 53.89 2k4h s ARG 123 Cb -0.04 -2.01 0.13 0.00 0.52 0.00 0.00 34.95 33.55 2k4h s ARG 123 CO 0.01 0.51 1.09 -1.25 0.02 0.00 0.00 175.30 175.68 2k4h s PRO 124 N -1.45 1.31 -0.42 3.54 0.04 -1.26 -5.04 135.00 131.71 2k4h s PRO 124 Ca 0.13 0.83 0.04 0.00 0.04 0.00 0.00 61.00 62.04 2k4h s PRO 124 Cb -0.10 -1.81 0.18 0.00 0.04 0.00 0.00 34.50 32.80 2k4h s PRO 124 CO 0.04 -2.21 0.36 0.25 0.04 0.00 0.00 177.00 175.48 2k4h n THR 125 N -3.86 -1.08 -2.71 1.26 -2.24 -1.26 -4.96 114.28 99.43 2k4h n THR 125 Ca 0.07 -3.52 -0.07 0.00 -2.27 0.00 0.00 64.05 58.25 2k4h n THR 125 Cb 0.55 -1.70 0.10 0.00 -2.10 0.00 0.00 70.33 67.18 2k4h n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4h n ALA 126 N 2.68 -1.47 -2.06 6.98 0.00 -1.26 -5.08 120.51 120.29 2k4h n ALA 126 Ca 0.29 -1.15 -0.28 0.00 0.00 0.00 0.00 53.44 52.30 2k4h n ALA 126 Cb 0.48 -1.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 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 0.20 2.50 -0.24 0.00 0.04 -1.26 -4.84 135.00 131.41 2k4h s PRO 127 Ca 0.22 -0.97 -0.14 0.00 0.04 0.00 0.00 61.00 60.14 2k4h s PRO 127 Cb 0.29 -5.20 0.07 0.00 0.04 0.00 0.00 34.50 29.70 2k4h s PRO 127 CO -0.10 -3.86 0.58 -1.54 0.04 0.00 0.00 177.00 172.13 2k4h s SER 128 N 6.84 -0.76 0.34 6.66 1.04 -1.26 -5.17 113.70 121.39 2k4h s SER 128 Ca 0.69 1.27 0.07 0.00 0.48 0.00 0.00 55.95 58.46 2k4h s SER 128 Cb -0.02 1.16 -0.02 0.00 0.10 0.00 0.00 66.02 67.23 2k4h s SER 128 CO 0.10 -0.22 0.32 -0.94 0.98 0.00 0.00 173.24 173.49 2k4h s SER 129 N 1.41 5.37 -0.95 7.02 1.04 -1.26 -5.05 113.70 121.29 2k4h s SER 129 Ca -0.09 -0.47 -0.20 0.00 0.48 0.00 0.00 55.95 55.67 2k4h s SER 129 Cb -0.06 -0.98 0.10 0.00 0.10 0.00 0.00 66.02 65.18 2k4h s SER 129 CO -0.15 -0.39 1.23 -1.61 0.98 0.00 0.00 173.24 173.30 2k4h s GLU 130 N -4.03 3.57 -0.06 4.02 0.41 -1.26 -4.95 118.70 116.40 2k4h s GLU 130 Ca 0.42 -1.49 -0.01 0.00 -0.41 0.00 0.00 54.97 53.48 2k4h s GLU 130 Cb -0.06 -5.03 0.03 0.00 -1.78 0.00 0.00 34.13 27.29 2k4h s GLU 130 CO 0.27 -1.93 0.02 0.15 -0.49 0.00 0.00 175.26 173.29 2k4h s LYS 131 N 3.55 0.35 0.00 1.61 1.02 -1.26 -5.15 119.74 119.86 2k4h s LYS 131 Ca 0.37 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.56 2k4h s LYS 131 Cb -0.04 -0.79 0.00 0.00 -0.52 0.00 0.00 37.83 36.48 2k4h s LYS 131 CO -0.09 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 2k4h n GLY 132 N 5.16 0.38 0.00 -3.33 0.00 -1.26 -5.12 105.19 101.01 2k4h n GLY 132 Ca -0.06 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 4.09 3.60 -0.02 0.00 -1.26 -5.08 105.19 111.52 2k4h n GLY 133 Ca 0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 1.31 6.15 0.00 1.61 -0.87 -1.26 -5.37 114.94 116.50 2k4h s ASN 134 Ca 0.00 0.95 0.26 0.00 -1.57 0.00 0.00 52.86 52.50 2k4h s ASN 134 Cb 0.00 -2.54 1.54 0.00 -0.02 0.00 0.00 41.25 40.24 2k4h s ASN 134 CO 0.00 -1.57 1.90 0.00 -2.57 0.00 0.00 177.10 174.86