#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 4.78 -2.98 4.61 0.00 -1.26 -4.99 120.51 120.67 2k4h n ALA 3 Ca 0.00 -3.41 -0.14 0.00 0.00 0.00 0.00 53.44 49.89 2k4h n ALA 3 Cb 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 19.45 18.74 2k4h n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k4h n ARG 4 N -0.97 -2.32 0.08 0.00 1.74 -1.26 -4.98 116.66 108.94 2k4h n ARG 4 Ca 0.40 2.00 0.00 0.00 -0.77 0.00 0.00 57.85 59.48 2k4h n ARG 4 Cb 0.94 -4.87 0.00 0.00 -1.02 0.00 0.00 32.46 27.52 2k4h n ARG 4 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2k4h n ASN 5 N -0.21 -0.79 -2.82 0.55 3.02 -1.26 -5.10 115.26 108.64 2k4h n ASN 5 Ca 0.07 0.28 0.02 0.00 -0.03 0.00 0.00 54.58 54.92 2k4h n ASN 5 Cb 0.49 0.91 0.00 0.00 -0.61 0.00 0.00 39.78 40.57 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2k4h s SER 6 N -3.18 -0.41 0.12 6.41 0.15 -1.26 -5.04 113.70 110.49 2k4h s SER 6 Ca 0.00 -0.19 -0.16 0.00 0.70 0.00 0.00 55.95 56.30 2k4h s SER 6 Cb 0.00 0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2k4h s SER 6 CO 0.00 -0.05 1.61 0.58 1.20 0.00 0.00 173.24 176.59 2k4h h VAL 7 N 3.60 1.23 -3.27 4.45 2.07 -2.03 -3.43 116.25 118.88 2k4h h VAL 7 Ca -0.04 -0.78 -0.54 0.00 0.82 0.00 0.00 66.70 66.17 2k4h h VAL 7 Cb 1.23 1.04 0.09 0.00 -1.52 0.00 0.00 31.29 32.13 2k4h h VAL 7 CO -0.06 0.26 0.81 0.18 0.02 0.00 0.00 177.57 178.78 2k4h n LEU 8 N -4.60 4.17 0.00 2.57 4.77 -1.26 -4.99 117.00 117.67 2k4h n LEU 8 Ca -0.01 1.16 -0.04 0.00 -0.03 0.00 0.00 56.01 57.09 2k4h n LEU 8 Cb 0.20 -1.57 0.03 0.00 -2.33 0.00 0.00 43.42 39.76 2k4h n LEU 8 CO 0.38 0.02 0.06 -1.14 -1.33 0.00 0.00 177.39 175.38 2k4h n ARG 9 N 1.83 -1.59 0.00 3.23 3.00 -1.26 -4.86 116.66 117.01 2k4h n ARG 9 Ca 0.08 -0.20 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 2k4h n ARG 9 Cb 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 32.46 32.61 2k4h n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4h n GLY 10 N 0.92 -0.30 0.25 5.14 0.00 -1.26 -3.20 105.19 106.74 2k4h n GLY 10 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 0.22 -0.25 1.61 3.64 -2.02 -2.54 116.57 117.22 2k4h h LYS 11 Ca 0.00 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.16 2k4h h LYS 11 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2k4h h LYS 11 CO 0.00 0.29 -0.57 0.87 -2.27 0.00 0.00 179.45 177.77 2k4h h LYS 12 N 0.21 0.83 -0.99 1.90 6.56 -1.97 -3.16 116.57 119.95 2k4h h LYS 12 Ca 0.05 -0.56 0.22 0.00 -1.06 0.00 0.00 60.65 59.30 2k4h h LYS 12 Cb 0.24 0.08 -0.12 0.00 -0.57 0.00 0.00 32.23 31.86 2k4h h LYS 12 CO 0.01 1.18 0.58 0.00 -2.06 0.00 0.00 179.45 179.16 2k4h h ALA 13 N 0.64 1.69 0.66 3.86 0.00 -1.42 -0.72 119.26 123.98 2k4h h ALA 13 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k4h h ALA 13 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k4h h ALA 13 CO 0.12 -0.18 -0.39 0.22 0.00 0.00 0.00 179.25 179.03 2k4h h ASP 14 N 0.64 -0.96 -0.74 0.00 1.82 -1.54 0.18 116.42 115.82 2k4h h ASP 14 Ca 0.60 0.05 0.10 0.00 -0.39 0.00 0.00 57.03 57.40 2k4h h ASP 14 Cb 1.05 0.28 -0.05 0.00 0.68 0.00 0.00 39.33 41.29 2k4h h ASP 14 CO -0.44 -0.61 0.49 -0.33 -1.61 0.00 0.00 179.24 176.74 2k4h h GLU 15 N -0.98 0.59 -0.01 0.28 5.08 -1.40 0.30 114.58 118.43 2k4h h GLU 15 Ca -0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2k4h h GLU 15 Cb 0.79 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2k4h h GLU 15 CO 0.10 0.39 -0.01 1.25 -1.00 0.00 0.00 179.01 179.74 2k4h h LEU 16 N 0.61 0.02 0.00 1.33 7.12 -0.76 -2.66 115.31 120.97 2k4h h LEU 16 Ca 0.34 -0.43 0.00 0.00 0.13 0.00 0.00 57.88 57.93 2k4h h LEU 16 Cb 0.53 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 2k4h h LEU 16 CO -0.12 0.44 0.00 1.21 -0.13 0.00 0.00 178.44 179.84 2k4h n GLU 17 N -4.87 0.31 -0.06 1.25 2.13 0.59 -3.32 120.64 116.68 2k4h n GLU 17 Ca -0.08 0.07 -0.18 0.00 0.66 0.00 0.00 57.16 57.63 2k4h n GLU 17 Cb 0.23 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.31 2k4h n GLU 17 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2k4h h ARG 18 N 0.00 0.07 -6.71 5.31 9.65 -0.20 -3.42 114.38 119.08 2k4h h ARG 18 Ca 0.00 -0.12 -0.57 0.00 -1.10 0.00 0.00 59.98 58.20 2k4h h ARG 18 Cb 0.23 0.04 0.09 0.00 -1.39 0.00 0.00 29.97 28.95 2k4h h ARG 18 CO 0.00 1.06 0.64 -0.89 2.80 0.00 0.00 179.97 183.58 2k4h n ILE 19 N -4.40 1.40 -3.13 1.20 5.41 -1.02 -4.94 119.36 113.88 2k4h n ILE 19 Ca -0.19 -0.35 -0.31 0.00 1.00 0.00 0.00 62.75 62.89 2k4h n ILE 19 Cb 0.64 -1.64 -0.05 0.00 -0.71 0.00 0.00 39.64 37.89 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 -1.05 3.86 0.22 0.38 0.52 -0.67 -3.14 118.95 119.07 2k4h s ARG 20 Ca 0.62 0.47 0.11 0.00 -0.52 0.00 0.00 55.73 56.41 2k4h s ARG 20 Cb -0.58 -2.48 0.10 0.00 0.52 0.00 0.00 34.95 32.51 2k4h s ARG 20 CO 0.55 0.14 1.45 -0.07 0.02 0.00 0.00 175.30 177.39 2k4h h LEU 21 N 1.97 0.00 -8.58 2.53 3.38 -0.77 0.86 115.31 114.70 2k4h h LEU 21 Ca -0.47 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.20 2k4h h LEU 21 Cb 1.18 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 2k4h h LEU 21 CO 0.66 0.72 -0.71 -0.13 0.09 0.00 0.00 178.44 179.07 2k4h s ARG 22 N -3.10 0.98 0.27 1.13 3.00 -1.26 -4.22 118.95 115.76 2k4h s ARG 22 Ca 0.01 -1.41 0.05 0.00 0.00 0.00 0.00 55.73 54.39 2k4h s ARG 22 Cb 0.10 -0.49 0.38 0.00 0.00 0.00 0.00 34.95 34.94 2k4h s ARG 22 CO 0.77 0.05 1.66 -1.00 0.00 0.00 0.00 175.30 176.78 2k4h h PRO 23 N 2.86 0.27 0.00 3.54 0.13 -1.92 -3.34 132.00 133.54 2k4h h PRO 23 Ca -0.36 -0.14 -0.32 0.00 -0.87 0.00 0.00 66.00 64.31 2k4h h PRO 23 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2k4h h PRO 23 CO 0.64 0.68 -2.20 0.41 -0.23 0.00 0.00 178.00 177.29 2k4h n GLY 24 N -0.06 -0.39 2.22 1.56 0.00 -1.26 -5.01 105.19 102.25 2k4h n GLY 24 Ca -0.02 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 2.40 -3.34 0.19 -0.02 0.00 -1.25 -4.98 105.19 98.18 2k4h n GLY 25 Ca -0.36 -1.09 0.03 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.75 0.90 -2.99 1.61 4.01 -1.26 -4.78 118.16 111.89 2k4h n LYS 26 Ca 0.08 -1.45 -0.32 0.00 -0.51 0.00 0.00 58.31 56.11 2k4h n LYS 26 Cb 0.37 -0.88 -0.06 0.00 -0.51 0.00 0.00 35.03 33.95 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 -1.02 4.00 0.31 1.97 1.02 -1.26 -4.96 119.74 119.80 2k4h s LYS 27 Ca 0.09 0.73 0.10 0.00 0.02 0.00 0.00 55.97 56.91 2k4h s LYS 27 Cb 0.08 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.97 2k4h s LYS 27 CO 0.01 0.07 -0.13 0.15 -0.92 0.00 0.00 175.35 174.53 2k4h s LYS 28 N -3.22 1.72 0.57 1.68 1.02 -1.26 -0.05 119.74 120.21 2k4h s LYS 28 Ca 0.55 -1.85 -0.19 0.00 0.02 0.00 0.00 55.97 54.51 2k4h s LYS 28 Cb -0.10 -1.64 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2k4h s LYS 28 CO 0.20 0.19 1.16 0.71 -0.92 0.00 0.00 175.35 176.69 2k4h s TYR 29 N -2.64 2.56 0.10 3.18 2.02 -1.19 -4.78 117.35 116.60 2k4h s TYR 29 Ca 0.31 1.54 -0.09 0.00 -0.37 0.00 0.00 57.07 58.45 2k4h s TYR 29 Cb 0.00 -3.35 -0.00 0.00 -0.40 0.00 0.00 41.96 38.21 2k4h s TYR 29 CO 0.15 -1.83 0.21 0.50 -1.57 0.00 0.00 175.55 173.01 2k4h s ARG 30 N -3.37 0.89 0.45 -0.62 3.52 -1.26 -4.42 118.95 114.13 2k4h s ARG 30 Ca 0.74 -0.96 0.27 0.00 -0.13 0.00 0.00 55.73 55.65 2k4h s ARG 30 Cb -0.26 0.35 1.32 0.00 -1.56 0.00 0.00 34.95 34.81 2k4h s ARG 30 CO 0.30 -0.29 1.72 -0.07 -0.81 0.00 0.00 175.30 176.15 2k4h h LEU 31 N 2.71 0.28 -0.84 -0.88 3.38 -2.00 0.33 115.31 118.28 2k4h h LEU 31 Ca -0.34 0.08 0.15 0.00 0.09 0.00 0.00 57.88 57.87 2k4h h LEU 31 Cb 1.21 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 2k4h h LEU 31 CO 0.55 -0.02 0.40 0.50 0.09 0.00 0.00 178.44 179.96 2k4h h LYS 32 N 0.20 0.54 -0.17 1.13 3.64 -2.00 0.53 116.57 120.44 2k4h h LYS 32 Ca 0.68 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.93 2k4h h LYS 32 Cb 2.10 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.79 2k4h h LYS 32 CO -0.27 0.36 -0.33 0.45 -2.27 0.00 0.00 179.45 177.39 2k4h h HIS 33 N 0.56 0.40 -0.37 1.91 3.86 -0.75 -2.83 115.15 117.92 2k4h h HIS 33 Ca 0.46 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.47 2k4h h HIS 33 Cb 0.70 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 2k4h h HIS 33 CO -0.11 0.64 -0.20 0.82 0.86 0.00 0.00 177.93 179.94 2k4h h ILE 34 N 0.30 1.27 0.32 2.45 2.04 -0.89 -2.72 117.51 120.27 2k4h h ILE 34 Ca 0.04 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 2k4h h ILE 34 Cb 0.73 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2k4h h ILE 34 CO 0.06 0.43 -0.15 0.58 0.00 0.00 0.00 178.15 179.06 2k4h h VAL 35 N 0.63 0.70 -0.18 1.67 2.07 -1.19 0.34 116.25 120.30 2k4h h VAL 35 Ca 0.09 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2k4h h VAL 35 Cb 0.69 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2k4h h VAL 35 CO 0.05 0.08 0.20 -0.25 0.02 0.00 0.00 177.57 177.67 2k4h h TRP 36 N -0.64 0.00 0.00 1.57 7.01 -1.51 -1.61 115.95 120.78 2k4h h TRP 36 Ca -0.04 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2k4h h TRP 36 Cb 0.45 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 2k4h h TRP 36 CO -0.00 0.00 -0.05 0.00 -2.79 0.00 0.00 178.44 175.60 2k4h h ALA 37 N 1.77 0.01 -0.97 2.65 0.00 -1.15 -3.34 119.26 118.23 2k4h h ALA 37 Ca 0.09 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.02 2k4h h ALA 37 Cb 0.48 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 2k4h h ALA 37 CO -0.00 0.04 0.64 0.00 0.00 0.00 0.00 179.25 179.92 2k4h h ALA 38 N -0.69 2.22 -0.86 0.00 0.00 -0.60 0.18 119.26 119.52 2k4h h ALA 38 Ca -0.01 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.06 2k4h h ALA 38 Cb 0.36 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2k4h h ALA 38 CO -0.00 -0.56 0.56 -0.97 0.00 0.00 0.00 179.25 178.28 2k4h h ASN 39 N 0.41 0.68 -0.23 0.00 -0.73 -1.42 -1.57 115.58 112.72 2k4h h ASN 39 Ca 0.53 0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.61 2k4h h ASN 39 Cb 1.32 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.80 2k4h h ASN 39 CO -0.23 0.38 -0.30 0.11 -0.37 0.00 0.00 177.43 177.02 2k4h h LYS 40 N 0.74 0.61 -0.66 6.67 6.56 -0.76 -2.98 116.57 126.74 2k4h h LYS 40 Ca 0.42 -0.35 0.19 0.00 -1.06 0.00 0.00 60.65 59.85 2k4h h LYS 40 Cb 0.58 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.24 2k4h h LYS 40 CO -0.18 0.96 0.56 -0.07 -2.06 0.00 0.00 179.45 178.65 2k4h h LEU 41 N 0.31 0.00 0.02 2.94 3.38 -1.13 -0.86 115.31 119.97 2k4h h LEU 41 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k4h h LEU 41 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2k4h h LEU 41 CO 0.07 0.00 -0.01 0.44 0.09 0.00 0.00 178.44 179.03 2k4h h ASP 42 N 0.00 -0.02 -0.40 -0.43 5.19 -1.35 0.31 116.42 119.72 2k4h h ASP 42 Ca 0.32 -0.68 0.12 0.00 -0.62 0.00 0.00 57.03 56.16 2k4h h ASP 42 Cb 1.42 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.92 2k4h h ASP 42 CO -0.00 0.70 0.51 -0.09 -3.12 0.00 0.00 179.24 177.23 2k4h h ARG 43 N -0.77 0.00 0.01 3.56 1.12 -1.12 -1.86 114.38 115.32 2k4h h ARG 43 Ca -0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 59.98 58.46 2k4h h ARG 43 Cb 0.70 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.60 2k4h h ARG 43 CO 0.00 0.00 -2.38 1.19 -3.11 0.00 0.00 179.97 175.67 2k4h n PHE 44 N -3.52 0.18 0.00 2.20 3.72 -1.02 -5.05 117.46 113.97 2k4h n PHE 44 Ca 0.07 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2k4h n PHE 44 Cb 0.67 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 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 1.72 4.40 3.45 1.37 0.00 0.10 -5.12 105.19 111.12 2k4h n GLY 45 Ca -0.48 -0.71 -0.50 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.50 -4.76 0.99 4.77 -0.63 -4.75 117.00 112.12 2k4h n LEU 46 Ca 0.00 1.14 -0.40 0.00 -0.03 0.00 0.00 56.01 56.72 2k4h n LEU 46 Cb 0.00 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.05 2k4h n LEU 46 CO 0.00 -2.51 0.83 0.00 -1.33 0.00 0.00 177.39 174.38 2k4h s ALA 47 N -0.78 3.38 0.08 -1.18 0.00 -1.26 -3.95 121.76 118.05 2k4h s ALA 47 Ca 0.69 0.96 0.30 0.00 0.00 0.00 0.00 51.96 53.90 2k4h s ALA 47 Cb -0.96 -3.36 1.14 0.00 0.00 0.00 0.00 23.12 19.95 2k4h s ALA 47 CO 0.56 -0.29 1.91 1.05 0.00 0.00 0.00 175.76 178.99 2k4h h GLU 48 N 3.54 0.00 0.00 0.00 4.11 -1.89 -2.57 114.58 117.77 2k4h h GLU 48 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2k4h h GLU 48 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k4h h GLU 48 CO 0.66 0.08 0.00 -1.13 0.07 0.00 0.00 179.01 178.69 2k4h n SER 49 N -3.20 0.00 0.00 3.06 3.41 -1.26 -2.25 113.62 113.38 2k4h n SER 49 Ca 0.01 0.48 0.13 0.00 -0.26 0.00 0.00 58.87 59.23 2k4h n SER 49 Cb 0.36 -0.49 0.72 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.49 0.00 -0.38 1.04 4.77 -0.97 -2.94 117.00 117.04 2k4h n LEU 50 Ca 0.04 0.17 0.05 0.00 -0.03 0.00 0.00 56.01 56.24 2k4h n LEU 50 Cb 0.19 -0.17 0.18 0.00 -2.33 0.00 0.00 43.42 41.29 2k4h n LEU 50 CO 0.15 -0.02 0.64 0.18 -1.33 0.00 0.00 177.39 177.00 2k4h n LEU 51 N -1.17 1.10 -0.01 2.23 4.77 -0.95 -2.82 117.00 120.15 2k4h n LEU 51 Ca 0.16 -0.53 0.09 0.00 -0.03 0.00 0.00 56.01 55.70 2k4h n LEU 51 Cb 0.16 -0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 2k4h n LEU 51 CO 0.18 0.26 -0.68 -0.62 -1.33 0.00 0.00 177.39 175.21 2k4h n GLU 52 N 0.06 0.58 -4.25 3.23 1.02 -1.15 -4.97 120.64 115.15 2k4h n GLU 52 Ca 0.09 -0.15 -0.27 0.00 -0.02 0.00 0.00 57.16 56.81 2k4h n GLU 52 Cb 0.19 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 2k4h n GLU 52 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k4h s SER 53 N -3.98 4.36 -0.13 1.62 1.04 -1.22 -4.98 113.70 110.42 2k4h s SER 53 Ca -0.06 -1.26 -0.15 0.00 0.48 0.00 0.00 55.95 54.96 2k4h s SER 53 Cb 0.11 -0.09 -0.25 0.00 0.10 0.00 0.00 66.02 65.89 2k4h s SER 53 CO 0.74 -0.71 0.45 0.07 0.98 0.00 0.00 173.24 174.77 2k4h h LYS 54 N 1.30 0.19 -0.96 4.02 2.10 -1.86 -3.27 116.57 118.10 2k4h h LYS 54 Ca -0.42 -0.33 0.02 0.00 -2.00 0.00 0.00 60.65 57.92 2k4h h LYS 54 Cb 1.27 0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 32.68 2k4h h LYS 54 CO 0.69 1.16 0.63 0.93 -2.00 0.00 0.00 179.45 180.86 2k4h h GLU 55 N -0.38 1.23 -0.48 0.07 5.08 -1.97 -1.10 114.58 117.04 2k4h h GLU 55 Ca -0.33 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 2k4h h GLU 55 Cb 1.71 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2k4h h GLU 55 CO 0.01 0.81 0.09 0.78 -1.00 0.00 0.00 179.01 179.71 2k4h h GLY 56 N 1.27 0.84 1.97 -3.84 0.00 -1.74 -2.79 103.07 98.77 2k4h h GLY 56 Ca 0.36 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 2k4h h GLY 56 CO -0.09 0.50 -0.41 0.00 0.00 0.00 0.00 176.54 176.54 2k4h h GLN 58 N 0.03 1.23 0.00 0.00 4.15 -0.94 -1.16 115.11 118.42 2k4h h GLN 58 Ca -0.00 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2k4h h GLN 58 Cb 0.74 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2k4h h GLN 58 CO 0.05 0.89 0.00 0.87 -1.93 0.00 0.00 178.83 178.71 2k4h h LYS 59 N 1.24 0.00 0.12 1.69 1.57 -1.38 -2.90 116.57 116.92 2k4h h LYS 59 Ca 0.32 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.80 2k4h h LYS 59 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 2k4h h LYS 59 CO -0.05 0.00 -1.21 0.82 -0.57 0.00 0.00 179.45 178.44 2k4h h ILE 60 N 0.00 1.30 -0.68 1.86 2.04 -1.22 -3.07 117.51 117.75 2k4h h ILE 60 Ca 0.00 -2.45 -0.03 0.00 1.00 0.00 0.00 64.86 63.38 2k4h h ILE 60 Cb 0.45 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 39.22 2k4h h ILE 60 CO 0.00 0.74 0.30 -0.07 0.00 0.00 0.00 178.15 179.12 2k4h h LEU 61 N 0.23 0.91 -1.49 1.44 3.38 -1.28 0.85 115.31 119.35 2k4h h LEU 61 Ca -0.19 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 2k4h h LEU 61 Cb 1.89 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 2k4h h LEU 61 CO 0.23 0.81 -0.26 0.00 0.09 0.00 0.00 178.44 179.31 2k4h h THR 62 N 0.95 1.15 0.23 0.22 1.03 -1.62 0.29 112.91 115.15 2k4h h THR 62 Ca 0.23 -0.90 -0.33 0.00 -0.01 0.00 0.00 66.41 65.40 2k4h h THR 62 Cb 0.16 1.49 0.03 0.00 -1.07 0.00 0.00 68.15 68.76 2k4h h THR 62 CO -0.02 0.25 -1.52 0.58 -0.01 0.00 0.00 175.52 174.81 2k4h h VAL 63 N 0.00 1.23 0.00 0.00 2.07 -1.31 -3.30 116.25 114.94 2k4h h VAL 63 Ca -0.00 -2.71 -0.01 0.00 0.82 0.00 0.00 66.70 64.80 2k4h h VAL 63 Cb 0.47 2.97 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2k4h h VAL 63 CO 0.03 0.83 -0.05 -0.07 0.02 0.00 0.00 177.57 178.33 2k4h h LEU 64 N 0.13 0.00 0.11 2.57 3.38 -0.64 -3.29 115.31 117.57 2k4h h LEU 64 Ca -0.26 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2k4h h LEU 64 Cb 2.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.84 2k4h h LEU 64 CO 0.25 0.05 -0.51 -0.78 0.09 0.00 0.00 178.44 177.54 2k4h h ASP 65 N 0.00 -1.52 0.86 -0.43 3.58 -0.51 -0.86 116.42 117.53 2k4h h ASP 65 Ca -0.00 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2k4h h ASP 65 Cb 0.96 0.56 0.00 0.00 1.72 0.00 0.00 39.33 42.58 2k4h h ASP 65 CO 0.01 -0.53 0.00 1.55 -2.88 0.00 0.00 179.24 177.39 2k4h h PRO 66 N -0.71 0.00 0.00 0.28 0.13 -1.73 -2.64 132.00 127.32 2k4h h PRO 66 Ca -0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 2k4h h PRO 66 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 2k4h h PRO 66 CO -0.28 0.00 -0.35 0.52 -0.23 0.00 0.00 178.00 177.66 2k4h h MET 67 N 0.00 0.00 0.47 0.86 2.86 -1.32 -3.30 114.93 114.50 2k4h h MET 67 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2k4h h MET 67 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2k4h h MET 67 CO 0.00 0.35 -0.42 0.28 1.06 0.00 0.00 176.91 178.18 2k4h h VAL 68 N 0.00 0.16 0.00 -2.22 2.07 -0.82 0.16 116.25 115.60 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 1.11 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 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 -5.52 0.49 -1.92 1.57 -0.04 -1.25 -2.52 135.00 125.82 2k4h n PRO 69 Ca -0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.36 2k4h n PRO 69 Cb 0.41 -1.47 0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.97 0.84 -4.00 0.52 -1.04 -0.55 -5.10 114.28 103.99 2k4h n THR 70 Ca 0.11 -2.12 -0.12 0.00 -2.04 0.00 0.00 64.05 59.88 2k4h n THR 70 Cb 0.05 0.84 -0.02 0.00 -1.82 0.00 0.00 70.33 69.37 2k4h n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k4h s GLY 71 N -2.87 1.04 0.00 3.41 0.00 0.46 -4.92 107.32 104.45 2k4h s GLY 71 Ca 0.33 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2k4h s GLY 71 CO -0.10 -0.75 0.00 -1.14 0.00 0.00 0.00 173.10 171.11 2k4h n SER 72 N -1.28 1.50 -0.36 1.64 3.41 -1.26 -4.88 113.62 112.39 2k4h n SER 72 Ca -0.02 -0.81 0.10 0.00 -0.26 0.00 0.00 58.87 57.87 2k4h n SER 72 Cb 0.61 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.83 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 -0.05 4.33 4.81 -1.98 0.40 114.58 122.95 2k4h h GLU 73 Ca 0.00 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2k4h h GLU 73 Cb 0.00 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2k4h h GLU 73 CO 0.00 0.57 0.14 -0.91 -0.73 0.00 0.00 179.01 178.07 2k4h h ASN 74 N 0.89 0.00 0.00 1.04 4.21 -2.00 0.11 115.58 119.82 2k4h h ASN 74 Ca 0.53 0.00 -0.43 0.00 1.21 0.00 0.00 56.30 57.61 2k4h h ASN 74 Cb 0.67 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.80 2k4h h ASN 74 CO -0.32 0.00 -2.45 -0.11 -1.29 0.00 0.00 177.43 173.26 2k4h n LEU 75 N -3.29 2.03 -0.32 1.61 0.00 0.11 -4.44 117.00 112.70 2k4h n LEU 75 Ca -0.02 0.25 0.05 0.00 0.00 0.00 0.00 56.01 56.29 2k4h n LEU 75 Cb 0.21 -0.78 0.25 0.00 0.00 0.00 0.00 43.42 43.10 2k4h n LEU 75 CO 0.21 0.60 1.25 0.11 0.00 0.00 0.00 177.39 179.56 2k4h h LYS 76 N -0.79 0.98 -0.75 1.96 1.57 -0.34 -1.75 116.57 117.45 2k4h h LYS 76 Ca -0.65 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.21 2k4h h LYS 76 Cb 1.62 -0.22 -0.09 0.00 0.08 0.00 0.00 32.23 33.62 2k4h h LYS 76 CO -0.35 0.65 0.32 0.77 -0.57 0.00 0.00 179.45 180.26 2k4h h SER 77 N 1.01 0.32 -0.33 0.86 0.02 -1.02 -1.22 113.55 113.19 2k4h h SER 77 Ca 0.42 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.41 2k4h h SER 77 Cb 0.31 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2k4h h SER 77 CO -0.18 0.13 -0.06 0.25 -1.14 0.00 0.00 176.83 175.84 2k4h h LEU 78 N 0.48 0.62 -0.77 5.07 5.85 -1.54 -2.32 115.31 122.69 2k4h h LEU 78 Ca 0.41 -0.35 0.15 0.00 0.84 0.00 0.00 57.88 58.93 2k4h h LEU 78 Cb 0.59 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 2k4h h LEU 78 CO -0.38 0.82 0.32 0.15 -0.34 0.00 0.00 178.44 179.01 2k4h h PHE 79 N 0.40 0.55 -0.31 1.25 3.57 -0.91 0.34 116.94 121.83 2k4h h PHE 79 Ca 0.09 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 2k4h h PHE 79 Cb 0.54 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2k4h h PHE 79 CO 0.05 0.07 -0.41 -0.91 -2.23 0.00 0.00 178.31 174.87 2k4h h ASN 80 N 0.46 0.81 -0.43 0.41 4.21 -1.27 -3.10 115.58 116.67 2k4h h ASN 80 Ca 0.43 -0.37 -0.11 0.00 1.21 0.00 0.00 56.30 57.46 2k4h h ASN 80 Cb 0.66 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 2k4h h ASN 80 CO -0.41 1.11 -0.12 0.74 -1.29 0.00 0.00 177.43 177.46 2k4h h THR 81 N 0.61 1.26 0.00 2.81 2.02 -0.48 -2.68 112.91 116.46 2k4h h THR 81 Ca 0.05 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 65.99 2k4h h THR 81 Cb 0.96 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2k4h h THR 81 CO 0.09 0.43 -0.00 0.58 0.37 0.00 0.00 175.52 176.98 2k4h h VAL 82 N 0.80 0.85 -0.42 3.16 2.07 -0.34 -1.82 116.25 120.55 2k4h h VAL 82 Ca 0.13 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.51 2k4h h VAL 82 Cb 0.65 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2k4h h VAL 82 CO 0.05 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.42 2k4h h VAL 84 N 0.71 1.28 0.79 0.00 2.07 -1.35 -2.37 116.25 117.38 2k4h h VAL 84 Ca 0.09 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 2k4h h VAL 84 Cb 0.79 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2k4h h VAL 84 CO 0.07 0.28 -0.47 0.40 0.02 0.00 0.00 177.57 177.87 2k4h h ILE 85 N -0.02 0.06 -0.75 4.57 1.08 -1.44 -2.49 117.51 118.53 2k4h h ILE 85 Ca 0.04 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.67 2k4h h ILE 85 Cb 0.44 0.06 -0.11 0.00 -3.07 0.00 0.00 36.82 34.14 2k4h h ILE 85 CO 0.01 0.00 0.17 -0.25 -0.69 0.00 0.00 178.15 177.39 2k4h h TRP 86 N -1.17 0.26 -0.28 1.37 7.01 -1.44 -0.95 115.95 120.75 2k4h h TRP 86 Ca -0.10 0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.01 2k4h h TRP 86 Cb 0.94 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 27.93 2k4h h TRP 86 CO -0.09 -0.10 -0.21 0.00 -2.79 0.00 0.00 178.44 175.25 2k4h h ILE 88 N -0.19 0.69 -0.01 0.00 2.04 -0.73 0.39 117.51 119.70 2k4h h ILE 88 Ca 0.15 -0.20 -0.19 0.00 1.00 0.00 0.00 64.86 65.63 2k4h h ILE 88 Cb 0.42 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2k4h h ILE 88 CO -0.39 0.11 -0.82 0.45 0.00 0.00 0.00 178.15 177.50 2k4h h HIS 89 N 0.58 0.28 -0.25 1.37 3.86 -0.77 -3.09 115.15 117.13 2k4h h HIS 89 Ca 0.52 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2k4h h HIS 89 Cb 1.05 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.49 2k4h h HIS 89 CO -0.00 0.93 0.00 0.00 0.86 0.00 0.00 177.93 179.72 2k4h n ALA 90 N -2.46 3.07 -0.94 2.45 0.00 0.25 -4.78 120.51 118.10 2k4h n ALA 90 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2k4h n ALA 90 Cb 0.77 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 0.27 -0.97 -2.78 0.00 4.71 -0.88 -4.96 120.64 116.03 2k4h n GLU 91 Ca 0.12 0.24 -0.41 0.00 -0.01 0.00 0.00 57.16 57.10 2k4h n GLU 91 Cb 0.64 -4.11 -0.05 0.00 -1.01 0.00 0.00 31.44 26.92 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 -1.09 4.66 -0.01 3.49 0.41 0.11 -4.97 118.70 121.31 2k4h s GLU 92 Ca 0.00 1.37 0.05 0.00 -0.41 0.00 0.00 54.97 55.99 2k4h s GLU 92 Cb 0.00 -3.37 -0.01 0.00 -1.78 0.00 0.00 34.13 28.97 2k4h s GLU 92 CO 0.00 0.24 -0.18 -1.59 -0.49 0.00 0.00 175.26 173.24 2k4h s LYS 93 N -0.05 1.42 0.05 1.61 -2.85 -1.26 -3.23 119.74 115.43 2k4h s LYS 93 Ca 0.45 -0.64 0.02 0.00 -1.00 0.00 0.00 55.97 54.80 2k4h s LYS 93 Cb -0.23 -1.38 -0.03 0.00 -2.06 0.00 0.00 37.83 34.13 2k4h s LYS 93 CO 0.28 0.38 -0.08 0.14 0.10 0.00 0.00 175.35 176.17 2k4h s VAL 94 N -0.43 0.62 0.02 1.79 -7.23 -1.26 -5.01 120.40 108.90 2k4h s VAL 94 Ca 0.07 -1.23 -0.18 0.00 -1.81 0.00 0.00 61.98 58.83 2k4h s VAL 94 Cb -0.07 -0.81 -0.28 0.00 0.56 0.00 0.00 36.38 35.78 2k4h s VAL 94 CO -0.01 -0.44 1.06 0.07 -0.31 0.00 0.00 175.10 175.47 2k4h h LYS 95 N 4.25 0.49 -4.52 4.82 2.10 -1.95 -3.42 116.57 118.34 2k4h h LYS 95 Ca -0.36 -0.63 -0.27 0.00 -2.00 0.00 0.00 60.65 57.39 2k4h h LYS 95 Cb 1.20 0.21 -0.21 0.00 -0.90 0.00 0.00 32.23 32.52 2k4h h LYS 95 CO 0.44 1.26 -0.73 0.16 -2.00 0.00 0.00 179.45 178.58 2k4h s ASP 96 N -7.10 0.81 0.38 7.07 1.47 -1.26 -1.67 116.67 116.37 2k4h s ASP 96 Ca -0.12 -0.55 0.22 0.00 1.18 0.00 0.00 52.55 53.28 2k4h s ASP 96 Cb 0.04 0.04 1.30 0.00 -0.34 0.00 0.00 42.92 43.96 2k4h s ASP 96 CO 0.87 -0.21 1.62 0.74 0.68 0.00 0.00 175.17 178.87 2k4h h THR 97 N 4.49 0.13 -0.30 2.11 2.02 -0.99 0.29 112.91 120.67 2k4h h THR 97 Ca -0.35 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 66.85 2k4h h THR 97 Cb 1.20 -0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.53 2k4h h THR 97 CO 0.41 0.02 -0.20 -0.33 0.37 0.00 0.00 175.52 175.79 2k4h h GLU 98 N 0.13 -0.17 -0.00 6.66 5.08 -1.86 -0.13 114.58 124.30 2k4h h GLU 98 Ca 0.80 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 59.15 2k4h h GLU 98 Cb 2.18 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.47 2k4h h GLU 98 CO -0.60 -0.11 -0.10 0.78 -1.00 0.00 0.00 179.01 177.98 2k4h h GLY 99 N -0.17 0.00 1.02 -3.84 0.00 -0.84 -2.41 103.07 96.82 2k4h h GLY 99 Ca 0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 2k4h h GLY 99 CO -0.40 0.00 0.29 0.00 0.00 0.00 0.00 176.54 176.43 2k4h h ALA 100 N 1.90 0.90 -0.04 3.60 0.00 -0.79 -1.35 119.26 123.48 2k4h h ALA 100 Ca -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2k4h h ALA 100 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k4h h ALA 100 CO 0.01 0.50 -0.48 -0.22 0.00 0.00 0.00 179.25 179.07 2k4h h LYS 101 N 0.98 0.09 -0.23 0.00 3.64 -0.94 -2.31 116.57 117.81 2k4h h LYS 101 Ca 0.23 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2k4h h LYS 101 Cb 0.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2k4h h LYS 101 CO -0.02 0.55 -0.33 0.37 -2.27 0.00 0.00 179.45 177.75 2k4h h GLN 102 N 0.07 0.63 -0.17 1.90 4.15 -1.17 0.10 115.11 120.63 2k4h h GLN 102 Ca 0.00 -0.37 -0.02 0.00 0.77 0.00 0.00 58.65 59.03 2k4h h GLN 102 Cb 0.88 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 2k4h h GLN 102 CO 0.07 0.98 0.03 0.82 -1.93 0.00 0.00 178.83 178.80 2k4h h ILE 103 N 0.33 1.22 -0.10 2.39 2.04 -1.18 -0.70 117.51 121.51 2k4h h ILE 103 Ca 0.02 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 2k4h h ILE 103 Cb 0.92 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2k4h h ILE 103 CO 0.08 0.21 -0.00 0.58 0.00 0.00 0.00 178.15 179.02 2k4h h VAL 104 N 0.08 1.26 0.00 1.67 2.07 -1.46 -2.06 116.25 117.80 2k4h h VAL 104 Ca 0.05 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2k4h h VAL 104 Cb 0.30 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2k4h h VAL 104 CO 0.00 0.23 0.00 -1.14 0.02 0.00 0.00 177.57 176.69 2k4h n ARG 105 N -4.81 0.13 0.01 1.57 0.63 0.02 -2.05 116.66 112.17 2k4h n ARG 105 Ca -0.06 0.46 -0.14 0.00 -0.92 0.00 0.00 57.85 57.19 2k4h n ARG 105 Cb 0.21 -1.80 -0.14 0.00 0.45 0.00 0.00 32.46 31.17 2k4h n ARG 105 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2k4h h ARG 106 N 0.00 0.14 0.00 -0.14 2.43 -0.70 -3.26 114.38 112.85 2k4h h ARG 106 Ca 0.00 -0.24 -0.18 0.00 -0.81 0.00 0.00 59.98 58.75 2k4h h ARG 106 Cb 0.21 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2k4h h ARG 106 CO 0.00 0.88 -0.85 0.45 -1.51 0.00 0.00 179.97 178.95 2k4h h HIS 107 N 0.04 0.00 -0.13 2.20 3.86 -0.79 -3.07 115.15 117.27 2k4h h HIS 107 Ca -0.30 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.77 2k4h h HIS 107 Cb 2.01 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.48 2k4h h HIS 107 CO 0.04 0.85 -0.47 -0.07 0.86 0.00 0.00 177.93 179.13 2k4h h LEU 108 N 0.00 0.64 -1.71 2.43 3.38 -1.58 -3.03 115.31 115.44 2k4h h LEU 108 Ca -0.01 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 2k4h h LEU 108 Cb 1.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2k4h h LEU 108 CO 0.11 1.15 -0.18 0.58 0.09 0.00 0.00 178.44 180.19 2k4h h VAL 109 N 0.17 0.95 0.00 1.22 2.07 -1.65 -1.92 116.25 117.09 2k4h h VAL 109 Ca -0.02 -0.64 -0.11 0.00 0.82 0.00 0.00 66.70 66.75 2k4h h VAL 109 Cb 1.11 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2k4h h VAL 109 CO 0.10 0.17 -0.52 0.00 0.02 0.00 0.00 177.57 177.34 2k4h h ALA 110 N 1.82 0.93 -0.74 1.67 0.00 -1.48 -3.12 119.26 118.34 2k4h h ALA 110 Ca -0.00 -0.47 -0.47 0.00 0.00 0.00 0.00 54.91 53.97 2k4h h ALA 110 Cb 0.35 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 17.79 2k4h h ALA 110 CO 0.02 0.65 0.17 0.39 0.00 0.00 0.00 179.25 180.49 2k4h n GLU 111 N -3.62 2.53 -0.07 0.00 1.02 -0.75 -4.46 120.64 115.30 2k4h n GLU 111 Ca -0.00 -3.40 -0.04 0.00 -0.02 0.00 0.00 57.16 53.69 2k4h n GLU 111 Cb 0.59 -2.12 -0.15 0.00 -0.02 0.00 0.00 31.44 29.75 2k4h n GLU 111 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2k4h n THR 112 N -0.98 0.95 0.18 2.62 -1.04 -1.07 -4.39 114.28 110.54 2k4h n THR 112 Ca 0.49 -0.70 0.02 0.00 -2.04 0.00 0.00 64.05 61.82 2k4h n THR 112 Cb 1.03 -0.38 0.34 0.00 -1.82 0.00 0.00 70.33 69.50 2k4h n THR 112 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2k4h h GLY 113 N 3.61 0.01 1.19 3.41 0.00 -1.78 -2.76 103.07 106.75 2k4h h GLY 113 Ca -0.38 -0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.04 2k4h h GLY 113 CO 0.02 0.01 0.31 0.00 0.00 0.00 0.00 176.54 176.88 2k4h h THR 114 N 0.01 0.52 -1.20 4.70 1.03 -1.88 -1.95 112.91 114.13 2k4h h THR 114 Ca -0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 66.41 65.89 2k4h h THR 114 Cb 0.69 0.76 -0.42 0.00 -1.07 0.00 0.00 68.15 68.11 2k4h h THR 114 CO 0.05 0.00 -0.87 0.00 -0.01 0.00 0.00 175.52 174.69 2k4h n ALA 115 N -2.41 4.55 -2.14 0.00 0.00 -1.04 -4.71 120.51 114.75 2k4h n ALA 115 Ca 0.05 -3.88 -0.03 0.00 0.00 0.00 0.00 53.44 49.58 2k4h n ALA 115 Cb 0.48 -0.61 0.01 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.44 0.36 0.21 0.00 2.13 -0.74 -4.97 120.64 117.20 2k4h n GLU 116 Ca 0.31 -0.71 0.13 0.00 0.66 0.00 0.00 57.16 57.55 2k4h n GLU 116 Cb 0.76 0.41 0.74 0.00 0.27 0.00 0.00 31.44 33.62 2k4h n GLU 116 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2k4h h LYS 117 N 0.26 0.00 -5.59 5.31 2.10 -1.84 -3.48 116.57 113.34 2k4h h LYS 117 Ca -0.34 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.22 2k4h h LYS 117 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2k4h h LYS 117 CO -0.16 0.00 -0.71 -1.33 -2.00 0.00 0.00 179.45 175.24 2k4h n MET 118 N -4.24 -2.32 -0.66 0.07 2.81 -1.26 -5.00 117.12 106.52 2k4h n MET 118 Ca 0.00 1.99 -0.19 0.00 -1.81 0.00 0.00 57.70 57.69 2k4h n MET 118 Cb 0.22 -4.73 0.16 0.00 -0.71 0.00 0.00 33.22 28.16 2k4h n MET 118 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2k4h n PRO 119 N -0.17 -2.38 -1.60 0.03 -0.04 -1.26 -4.87 135.00 124.72 2k4h n PRO 119 Ca 0.06 -1.11 -0.44 0.00 -0.04 0.00 0.00 63.50 61.97 2k4h n PRO 119 Cb 0.48 -1.04 -0.03 0.00 -0.04 0.00 0.00 33.50 32.87 2k4h n PRO 119 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k4h n SER 120 N -4.19 3.28 -4.24 3.54 7.64 -1.26 -4.94 113.62 113.45 2k4h n SER 120 Ca 0.10 0.31 -0.14 0.00 1.01 0.00 0.00 58.87 60.15 2k4h n SER 120 Cb 0.37 -1.53 -0.10 0.00 -1.01 0.00 0.00 64.21 61.95 2k4h n SER 120 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k4h s THR 121 N 7.73 0.30 -0.28 0.44 -4.23 -1.26 -5.09 115.64 113.26 2k4h s THR 121 Ca 1.00 -1.99 -0.31 0.00 -1.18 0.00 0.00 61.69 59.21 2k4h s THR 121 Cb -0.39 -2.46 -0.08 0.00 1.34 0.00 0.00 72.50 70.90 2k4h s THR 121 CO 0.37 -0.10 2.21 -0.24 -0.54 0.00 0.00 174.62 176.32 2k4h n SER 122 N -0.32 2.72 -3.58 3.99 2.88 -1.26 -4.90 113.62 113.14 2k4h n SER 122 Ca -0.01 0.30 -0.15 0.00 -1.33 0.00 0.00 58.87 57.69 2k4h n SER 122 Cb 0.66 -1.42 -0.06 0.00 -0.75 0.00 0.00 64.21 62.63 2k4h n SER 122 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2k4h s ARG 123 N 6.30 0.86 0.38 -1.46 0.52 -1.26 -5.18 118.95 119.11 2k4h s ARG 123 Ca 1.05 0.58 -0.06 0.00 -0.52 0.00 0.00 55.73 56.78 2k4h s ARG 123 Cb -0.58 0.41 0.09 0.00 0.52 0.00 0.00 34.95 35.40 2k4h s ARG 123 CO 0.42 -0.19 0.34 -0.35 0.02 0.00 0.00 175.30 175.53 2k4h n PRO 124 N 1.75 -1.67 -1.86 3.54 -0.04 -1.26 -5.04 135.00 130.42 2k4h n PRO 124 Ca -0.15 -0.54 -0.30 0.00 -0.04 0.00 0.00 63.50 62.47 2k4h n PRO 124 Cb 0.56 -0.50 0.06 0.00 -0.04 0.00 0.00 33.50 33.58 2k4h n PRO 124 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2k4h s THR 125 N -1.61 3.03 -0.22 0.52 -1.32 -1.26 -5.09 115.64 109.68 2k4h s THR 125 Ca 0.22 0.33 -0.29 0.00 -1.21 0.00 0.00 61.69 60.75 2k4h s THR 125 Cb -0.02 -3.31 0.15 0.00 -1.51 0.00 0.00 72.50 67.80 2k4h s THR 125 CO 0.17 -0.44 1.12 0.00 -2.21 0.00 0.00 174.62 173.26 2k4h s ALA 126 N -3.41 -2.01 -0.03 11.08 0.00 -1.26 -5.14 121.76 120.99 2k4h s ALA 126 Ca 0.59 1.71 -0.30 0.00 0.00 0.00 0.00 51.96 53.97 2k4h s ALA 126 Cb -0.11 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 2k4h s ALA 126 CO 0.51 -0.26 1.47 -1.25 0.00 0.00 0.00 175.76 176.23 2k4h s PRO 127 N -0.75 4.24 -0.16 0.00 0.04 -1.26 -5.01 135.00 132.10 2k4h s PRO 127 Ca 0.02 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2k4h s PRO 127 Cb -0.02 -3.72 0.04 0.00 0.04 0.00 0.00 34.50 30.84 2k4h s PRO 127 CO -0.03 -0.69 -0.01 -1.54 0.04 0.00 0.00 177.00 174.77 2k4h s SER 128 N 2.36 2.60 0.60 6.66 1.04 -1.26 -5.14 113.70 120.57 2k4h s SER 128 Ca 0.66 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 56.43 2k4h s SER 128 Cb -0.31 -0.71 0.01 0.00 0.10 0.00 0.00 66.02 65.11 2k4h s SER 128 CO 0.26 -0.23 0.92 -0.55 0.98 0.00 0.00 173.24 174.62 2k4h s SER 129 N 1.78 5.50 0.17 7.02 0.15 -1.26 -5.10 113.70 121.96 2k4h s SER 129 Ca 0.01 0.69 0.10 0.00 0.70 0.00 0.00 55.95 57.45 2k4h s SER 129 Cb -0.15 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 2k4h s SER 129 CO -0.07 -1.13 -0.22 -1.61 1.20 0.00 0.00 173.24 171.41 2k4h s GLU 130 N -5.02 1.39 -0.30 5.44 0.41 -1.26 -5.13 118.70 114.23 2k4h s GLU 130 Ca 0.55 -1.45 -0.15 0.00 -0.41 0.00 0.00 54.97 53.51 2k4h s GLU 130 Cb -0.11 -1.61 0.18 0.00 -1.78 0.00 0.00 34.13 30.81 2k4h s GLU 130 CO 0.45 0.34 1.10 0.21 -0.49 0.00 0.00 175.26 176.88 2k4h s LYS 131 N -2.65 0.16 -0.06 1.61 2.20 -1.26 -5.05 119.74 114.70 2k4h s LYS 131 Ca 0.18 0.32 0.11 0.00 -0.36 0.00 0.00 55.97 56.22 2k4h s LYS 131 Cb -0.07 0.18 -0.17 0.00 -1.51 0.00 0.00 37.83 36.27 2k4h s LYS 131 CO 0.08 -0.14 0.16 0.41 -0.36 0.00 0.00 175.35 175.50 2k4h n GLY 132 N 5.26 -0.56 3.74 5.54 0.00 -1.26 -4.98 105.19 112.93 2k4h n GLY 132 Ca -0.08 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 2k4h n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4h s GLY 133 N -3.85 2.75 -0.25 -0.02 0.00 -1.26 -5.03 107.32 99.66 2k4h s GLY 133 Ca -0.05 0.26 -0.37 0.00 0.00 0.00 0.00 44.72 44.56 2k4h s GLY 133 CO 0.48 1.15 1.31 0.54 0.00 0.00 0.00 173.10 176.59 2k4h s ASN 134 N 0.24 -0.07 0.00 1.64 4.22 -1.26 -5.27 114.94 114.45 2k4h s ASN 134 Ca 0.39 0.00 0.00 0.00 -2.14 0.00 0.00 52.86 51.12 2k4h s ASN 134 Cb -0.20 0.07 0.00 0.00 1.28 0.00 0.00 41.25 42.40 2k4h s ASN 134 CO 0.22 -0.11 0.00 0.00 -2.04 0.00 0.00 177.10 175.17