#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 1.67 0.00 4.61 0.00 -1.26 -4.99 120.51 120.55 2k4h n ALA 3 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2k4h n ALA 3 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -3.06 0.00 -2.62 0.00 1.74 -1.26 -5.03 116.66 106.44 2k4h n ARG 4 Ca -0.29 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.75 2k4h n ARG 4 Cb 0.80 -0.01 0.12 0.00 -1.02 0.00 0.00 32.46 32.35 2k4h n ARG 4 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2k4h n ASN 5 N -2.54 -1.51 -3.52 0.55 5.15 -1.26 -5.11 115.26 107.02 2k4h n ASN 5 Ca 0.00 -2.21 -0.00 0.00 -0.60 0.00 0.00 54.58 51.77 2k4h n ASN 5 Cb 0.00 0.76 -0.05 0.00 -0.53 0.00 0.00 39.78 39.96 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2k4h s SER 6 N -1.07 -0.60 -0.15 1.20 0.15 -1.26 -4.94 113.70 107.03 2k4h s SER 6 Ca 0.12 0.87 -0.08 0.00 0.70 0.00 0.00 55.95 57.57 2k4h s SER 6 Cb 0.40 1.53 -0.24 0.00 -1.71 0.00 0.00 66.02 66.00 2k4h s SER 6 CO -0.11 -0.13 0.28 0.52 1.20 0.00 0.00 173.24 175.00 2k4h n VAL 7 N 4.52 1.73 -1.66 4.45 0.31 -1.26 -4.38 118.33 122.03 2k4h n VAL 7 Ca -0.13 -0.58 -0.30 0.00 -0.01 0.00 0.00 64.34 63.32 2k4h n VAL 7 Cb 0.54 -1.74 0.20 0.00 -0.91 0.00 0.00 33.84 31.93 2k4h n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2k4h s LEU 8 N -7.09 2.07 0.00 7.52 1.43 -1.26 -4.98 118.68 116.37 2k4h s LEU 8 Ca -0.25 0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 2k4h s LEU 8 Cb 0.07 -2.35 0.26 0.00 0.03 0.00 0.00 46.19 44.20 2k4h s LEU 8 CO 0.73 -3.15 0.66 0.54 0.23 0.00 0.00 176.35 175.35 2k4h n ARG 9 N -4.07 -3.74 0.01 1.70 1.74 -1.26 -4.71 116.66 106.33 2k4h n ARG 9 Ca 0.14 -1.09 -0.06 0.00 -0.77 0.00 0.00 57.85 56.08 2k4h n ARG 9 Cb 0.59 -1.31 -0.04 0.00 -1.02 0.00 0.00 32.46 30.68 2k4h n ARG 9 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2k4h h GLY 10 N -2.71 -0.14 0.79 -0.13 0.00 -1.98 -1.50 103.07 97.40 2k4h h GLY 10 Ca -0.28 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.15 2k4h h GLY 10 CO 0.17 -0.05 0.65 1.70 0.00 0.00 0.00 176.54 179.02 2k4h h LYS 11 N -1.00 1.18 -0.22 4.80 3.11 -2.02 -1.96 116.57 120.45 2k4h h LYS 11 Ca -0.01 -0.07 -0.18 0.00 -2.81 0.00 0.00 60.65 57.58 2k4h h LYS 11 Cb 0.33 -0.27 -0.00 0.00 -1.00 0.00 0.00 32.23 31.29 2k4h h LYS 11 CO 0.02 0.78 -0.58 0.87 -2.81 0.00 0.00 179.45 177.73 2k4h h LYS 12 N 1.21 0.69 -0.97 1.90 1.57 -1.94 -3.13 116.57 115.90 2k4h h LYS 12 Ca 0.42 -0.45 0.19 0.00 -1.87 0.00 0.00 60.65 58.94 2k4h h LYS 12 Cb 0.11 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.39 2k4h h LYS 12 CO -0.16 1.07 0.61 0.00 -0.57 0.00 0.00 179.45 180.41 2k4h h ALA 13 N 0.83 1.86 0.81 3.86 0.00 -0.48 -1.39 119.26 124.75 2k4h h ALA 13 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2k4h h ALA 13 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k4h h ALA 13 CO 0.12 -0.20 -0.44 0.22 0.00 0.00 0.00 179.25 178.95 2k4h h ASP 14 N 0.65 -1.09 -0.78 0.00 3.58 -1.45 0.12 116.42 117.45 2k4h h ASP 14 Ca 0.53 0.05 0.17 0.00 0.42 0.00 0.00 57.03 58.20 2k4h h ASP 14 Cb 0.98 0.30 -0.05 0.00 1.72 0.00 0.00 39.33 42.28 2k4h h ASP 14 CO -0.30 -0.71 0.52 -0.33 -2.88 0.00 0.00 179.24 175.55 2k4h h GLU 15 N -1.15 0.35 -0.10 0.28 3.07 -1.52 0.28 114.58 115.79 2k4h h GLU 15 Ca -0.11 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 2k4h h GLU 15 Cb 0.90 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.73 2k4h h GLU 15 CO 0.14 0.23 -0.07 1.25 -1.40 0.00 0.00 179.01 179.17 2k4h h LEU 16 N 0.36 0.23 0.00 1.33 7.12 -0.89 -2.41 115.31 121.06 2k4h h LEU 16 Ca 0.39 -0.45 0.00 0.00 0.13 0.00 0.00 57.88 57.95 2k4h h LEU 16 Cb 0.98 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 2k4h h LEU 16 CO -0.12 0.63 0.00 1.21 -0.13 0.00 0.00 178.44 180.03 2k4h n GLU 17 N -4.69 0.23 0.01 1.25 0.00 0.37 -3.30 120.64 114.50 2k4h n GLU 17 Ca -0.07 0.06 -0.21 0.00 0.00 0.00 0.00 57.16 56.94 2k4h n GLU 17 Cb 0.30 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.10 2k4h n GLU 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k4h h ARG 18 N 0.00 0.24 -6.37 5.31 -0.00 -0.29 -3.41 114.38 109.85 2k4h h ARG 18 Ca 0.00 -0.41 -0.64 0.00 -0.50 0.00 0.00 59.98 58.43 2k4h h ARG 18 Cb 0.30 0.15 0.06 0.00 0.00 0.00 0.00 29.97 30.48 2k4h h ARG 18 CO 0.00 1.20 0.58 -0.89 0.00 0.00 0.00 179.97 180.86 2k4h n ILE 19 N -3.93 0.07 -3.38 2.04 5.41 -0.92 -4.90 119.36 113.74 2k4h n ILE 19 Ca -0.25 -0.02 -0.38 0.00 1.00 0.00 0.00 62.75 63.11 2k4h n ILE 19 Cb 0.90 -1.11 -0.06 0.00 -0.71 0.00 0.00 39.64 38.65 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 0.58 4.22 0.59 0.38 0.52 -0.96 -2.70 118.95 121.59 2k4h s ARG 20 Ca 0.81 0.41 0.29 0.00 -0.52 0.00 0.00 55.73 56.73 2k4h s ARG 20 Cb -0.84 -3.37 1.61 0.00 0.52 0.00 0.00 34.95 32.87 2k4h s ARG 20 CO 0.44 0.32 2.04 -0.07 0.02 0.00 0.00 175.30 178.04 2k4h h LEU 21 N 6.13 0.00 -8.65 2.53 3.38 -1.30 -1.52 115.31 115.87 2k4h h LEU 21 Ca -0.44 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.21 2k4h h LEU 21 Cb 1.19 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 2k4h h LEU 21 CO 0.72 0.00 -0.71 -0.13 0.09 0.00 0.00 178.44 178.41 2k4h s ARG 22 N -4.62 1.07 0.27 1.13 0.52 -1.26 -4.28 118.95 111.78 2k4h s ARG 22 Ca -0.04 -1.46 0.05 0.00 -0.52 0.00 0.00 55.73 53.76 2k4h s ARG 22 Cb 0.15 -0.59 0.39 0.00 0.52 0.00 0.00 34.95 35.42 2k4h s ARG 22 CO 0.54 0.05 1.66 -1.00 0.02 0.00 0.00 175.30 176.57 2k4h h PRO 23 N 2.77 0.26 0.00 3.54 0.13 -1.93 -3.24 132.00 133.52 2k4h h PRO 23 Ca -0.37 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2k4h h PRO 23 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2k4h h PRO 23 CO 0.64 0.67 -0.23 0.41 -0.23 0.00 0.00 178.00 179.26 2k4h n GLY 24 N -0.06 4.57 1.68 1.56 0.00 -1.26 -5.00 105.19 106.68 2k4h n GLY 24 Ca -0.02 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 2k4h n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4h n GLY 25 N -1.18 1.94 0.00 -0.02 0.00 -1.23 -5.05 105.19 99.65 2k4h n GLY 25 Ca 0.16 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2k4h n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k4h n LYS 26 N -1.55 0.08 -3.33 1.61 2.85 -1.26 -4.89 118.16 111.67 2k4h n LYS 26 Ca 0.07 -0.55 -0.36 0.00 -1.05 0.00 0.00 58.31 56.42 2k4h n LYS 26 Cb 0.26 -0.82 -0.06 0.00 -0.65 0.00 0.00 35.03 33.76 2k4h n LYS 26 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k4h s LYS 27 N -0.18 4.06 0.34 -1.58 2.47 -1.26 -5.02 119.74 118.57 2k4h s LYS 27 Ca 0.00 0.58 0.09 0.00 -1.56 0.00 0.00 55.97 55.08 2k4h s LYS 27 Cb 0.00 -3.03 -0.06 0.00 -1.46 0.00 0.00 37.83 33.28 2k4h s LYS 27 CO 0.00 0.53 -0.04 0.15 0.16 0.00 0.00 175.35 176.16 2k4h s LYS 28 N -1.66 1.97 0.42 4.03 1.02 -1.26 -0.86 119.74 123.39 2k4h s LYS 28 Ca 0.35 -1.81 -0.25 0.00 0.02 0.00 0.00 55.97 54.27 2k4h s LYS 28 Cb -0.16 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.22 2k4h s LYS 28 CO 0.19 0.15 1.24 0.71 -0.92 0.00 0.00 175.35 176.72 2k4h s TYR 29 N -2.55 2.89 0.20 3.18 2.02 -1.10 -4.78 117.35 117.22 2k4h s TYR 29 Ca 0.34 1.48 -0.09 0.00 -0.37 0.00 0.00 57.07 58.42 2k4h s TYR 29 Cb 0.01 -3.54 -0.01 0.00 -0.40 0.00 0.00 41.96 38.01 2k4h s TYR 29 CO 0.18 -1.79 0.34 1.03 -1.57 0.00 0.00 175.55 173.74 2k4h s ARG 30 N -2.34 1.32 0.47 -0.62 0.52 -1.26 -4.46 118.95 112.57 2k4h s ARG 30 Ca 0.58 -1.28 0.26 0.00 -0.52 0.00 0.00 55.73 54.77 2k4h s ARG 30 Cb -0.34 0.40 1.29 0.00 0.52 0.00 0.00 34.95 36.81 2k4h s ARG 30 CO 0.43 -0.51 1.82 -0.07 0.02 0.00 0.00 175.30 177.00 2k4h h LEU 31 N 2.44 0.23 -0.69 2.53 4.07 -1.96 0.63 115.31 122.56 2k4h h LEU 31 Ca -0.30 0.04 0.12 0.00 0.08 0.00 0.00 57.88 57.82 2k4h h LEU 31 Cb 1.24 -0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.89 2k4h h LEU 31 CO 0.44 0.06 0.25 0.11 -1.08 0.00 0.00 178.44 178.22 2k4h h LYS 32 N 0.21 0.39 0.00 1.13 1.57 -1.99 0.76 116.57 118.64 2k4h h LYS 32 Ca 0.53 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.21 2k4h h LYS 32 Cb 1.67 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 2k4h h LYS 32 CO -0.14 0.26 -0.34 0.45 -0.57 0.00 0.00 179.45 179.11 2k4h h HIS 33 N 0.41 0.00 -0.19 -1.35 3.86 -1.28 -2.92 115.15 113.67 2k4h h HIS 33 Ca 0.36 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.37 2k4h h HIS 33 Cb 0.52 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.00 2k4h h HIS 33 CO -0.18 0.34 -0.70 0.82 0.86 0.00 0.00 177.93 179.07 2k4h h ILE 34 N 0.00 1.28 -0.73 2.45 2.04 -0.85 -2.88 117.51 118.82 2k4h h ILE 34 Ca -0.00 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 63.96 2k4h h ILE 34 Cb 0.67 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 2k4h h ILE 34 CO 0.04 0.60 0.42 0.58 0.00 0.00 0.00 178.15 179.80 2k4h h VAL 35 N 0.55 1.21 0.00 1.67 2.07 -1.14 0.58 116.25 121.20 2k4h h VAL 35 Ca -0.03 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2k4h h VAL 35 Cb 1.32 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2k4h h VAL 35 CO 0.15 0.23 -0.15 -0.25 0.02 0.00 0.00 177.57 177.56 2k4h h TRP 36 N 1.00 0.00 0.00 1.57 7.01 -1.54 -2.76 115.95 121.24 2k4h h TRP 36 Ca 0.26 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.21 2k4h h TRP 36 Cb -0.01 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 2k4h h TRP 36 CO -0.01 0.15 -0.28 0.00 -2.79 0.00 0.00 178.44 175.52 2k4h h ALA 37 N 1.85 0.06 -0.91 2.65 0.00 -1.09 -3.35 119.26 118.47 2k4h h ALA 37 Ca -0.00 -0.62 0.16 0.00 0.00 0.00 0.00 54.91 54.45 2k4h h ALA 37 Cb 0.54 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 2k4h h ALA 37 CO 0.02 0.16 0.59 0.00 0.00 0.00 0.00 179.25 180.01 2k4h h ALA 38 N -0.20 1.89 -0.74 0.00 0.00 -0.90 0.61 119.26 119.93 2k4h h ALA 38 Ca -0.07 0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2k4h h ALA 38 Cb 0.98 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2k4h h ALA 38 CO -0.04 -0.16 0.49 -0.97 0.00 0.00 0.00 179.25 178.56 2k4h h ASN 39 N 0.64 0.52 -0.16 0.00 -1.24 -1.61 -1.71 115.58 112.03 2k4h h ASN 39 Ca 0.47 0.02 -0.12 0.00 0.71 0.00 0.00 56.30 57.38 2k4h h ASN 39 Cb 0.84 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.80 2k4h h ASN 39 CO -0.22 0.30 -0.36 0.11 -1.29 0.00 0.00 177.43 175.97 2k4h h LYS 40 N 0.58 0.52 -0.63 6.67 1.79 -1.01 -3.05 116.57 121.44 2k4h h LYS 40 Ca 0.35 -0.35 0.18 0.00 -2.18 0.00 0.00 60.65 58.65 2k4h h LYS 40 Cb 0.58 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 2k4h h LYS 40 CO -0.12 0.96 0.53 -0.07 -1.08 0.00 0.00 179.45 179.67 2k4h h LEU 41 N 0.16 0.00 -0.00 2.94 3.38 -1.10 -0.81 115.31 119.88 2k4h h LEU 41 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k4h h LEU 41 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2k4h h LEU 41 CO 0.08 0.00 -0.01 -0.78 0.09 0.00 0.00 178.44 177.82 2k4h h ASP 42 N 0.00 0.01 -0.39 -0.43 3.58 -1.39 0.32 116.42 118.12 2k4h h ASP 42 Ca 0.30 -0.70 0.11 0.00 0.42 0.00 0.00 57.03 57.17 2k4h h ASP 42 Cb 1.36 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.39 2k4h h ASP 42 CO -0.00 0.70 0.51 -0.09 -2.88 0.00 0.00 179.24 177.48 2k4h h ARG 43 N -0.69 0.00 0.01 0.28 2.43 -1.12 -1.67 114.38 113.62 2k4h h ARG 43 Ca -0.00 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.76 2k4h h ARG 43 Cb 0.70 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.19 2k4h h ARG 43 CO 0.00 0.00 -2.45 1.19 -1.51 0.00 0.00 179.97 177.20 2k4h n PHE 44 N -3.50 0.09 0.00 2.20 3.72 -1.07 -5.05 117.46 113.86 2k4h n PHE 44 Ca 0.07 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2k4h n PHE 44 Cb 0.67 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 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 1.92 4.36 3.43 1.37 0.00 0.10 -5.12 105.19 111.25 2k4h n GLY 45 Ca -0.48 -0.80 -0.47 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.81 -4.74 0.99 4.32 -0.69 -4.76 117.00 111.32 2k4h n LEU 46 Ca 0.00 1.11 -0.41 0.00 -0.02 0.00 0.00 56.01 56.69 2k4h n LEU 46 Cb 0.00 -1.01 -0.04 0.00 -1.62 0.00 0.00 43.42 40.75 2k4h n LEU 46 CO 0.00 -2.81 0.75 0.00 -1.22 0.00 0.00 177.39 174.12 2k4h s ALA 47 N -1.08 3.34 0.06 -1.18 0.00 -1.26 -4.02 121.76 117.62 2k4h s ALA 47 Ca 0.63 0.74 0.33 0.00 0.00 0.00 0.00 51.96 53.66 2k4h s ALA 47 Cb -0.86 -3.32 1.44 0.00 0.00 0.00 0.00 23.12 20.38 2k4h s ALA 47 CO 0.57 -0.13 1.98 1.05 0.00 0.00 0.00 175.76 179.22 2k4h h GLU 48 N 5.15 0.00 0.00 0.00 4.11 -1.89 -2.29 114.58 119.66 2k4h h GLU 48 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 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 -2.89 0.00 -0.05 3.06 3.41 -1.26 -1.93 113.62 113.96 2k4h n SER 49 Ca 0.00 0.48 0.13 0.00 -0.26 0.00 0.00 58.87 59.23 2k4h n SER 49 Cb 0.25 -0.49 0.77 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.15 -0.03 1.04 4.77 -0.86 -3.32 117.00 117.27 2k4h n LEU 50 Ca 0.03 -0.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 2k4h n LEU 50 Cb 0.15 -0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.01 2k4h n LEU 50 CO 0.12 0.03 1.00 0.18 -1.33 0.00 0.00 177.39 177.39 2k4h n LEU 51 N -0.81 0.09 -1.59 2.23 4.77 -0.81 -2.59 117.00 118.29 2k4h n LEU 51 Ca 0.20 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 2k4h n LEU 51 Cb 0.12 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 2k4h n LEU 51 CO 0.15 0.02 0.29 -1.84 -1.33 0.00 0.00 177.39 174.68 2k4h n GLU 52 N -0.86 2.94 -3.64 3.23 0.28 -1.21 -4.99 120.64 116.40 2k4h n GLU 52 Ca 0.20 -3.86 -0.06 0.00 -0.16 0.00 0.00 57.16 53.28 2k4h n GLU 52 Cb 0.11 -2.07 -0.07 0.00 1.43 0.00 0.00 31.44 30.84 2k4h n GLU 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k4h s SER 53 N -3.40 -0.47 0.11 -1.84 1.04 -1.21 -5.04 113.70 102.88 2k4h s SER 53 Ca 0.47 0.82 -0.21 0.00 0.48 0.00 0.00 55.95 57.51 2k4h s SER 53 Cb 0.40 1.00 -0.09 0.00 0.10 0.00 0.00 66.02 67.44 2k4h s SER 53 CO 0.01 -0.14 1.73 0.07 0.98 0.00 0.00 173.24 175.89 2k4h h LYS 54 N 5.06 0.02 -0.64 4.02 2.10 -1.86 0.05 116.57 125.32 2k4h h LYS 54 Ca -0.28 -0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.47 2k4h h LYS 54 Cb 1.19 -0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.43 2k4h h LYS 54 CO 0.15 0.01 0.24 0.93 -2.00 0.00 0.00 179.45 178.78 2k4h h GLU 55 N 0.02 0.40 -0.17 0.07 5.08 -1.97 0.29 114.58 118.30 2k4h h GLU 55 Ca 0.05 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2k4h h GLU 55 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2k4h h GLU 55 CO -0.09 0.26 -0.01 0.78 -1.00 0.00 0.00 179.01 178.96 2k4h h GLY 56 N 0.41 0.33 2.00 -3.84 0.00 -1.67 -2.91 103.07 97.40 2k4h h GLY 56 Ca 0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 2k4h h GLY 56 CO -0.33 0.23 -0.19 0.00 0.00 0.00 0.00 176.54 176.25 2k4h h GLN 58 N 0.00 1.11 0.00 0.00 4.15 -0.24 -1.84 115.11 118.28 2k4h h GLN 58 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2k4h h GLN 58 Cb 0.37 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2k4h h GLN 58 CO 0.02 0.94 0.00 -0.22 -1.93 0.00 0.00 178.83 177.64 2k4h h LYS 59 N 1.07 0.00 0.06 1.69 3.64 -1.33 -2.84 116.57 118.86 2k4h h LYS 59 Ca 0.23 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.33 2k4h h LYS 59 Cb 0.28 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2k4h h LYS 59 CO -0.01 0.00 -1.14 0.82 -2.27 0.00 0.00 179.45 176.85 2k4h h ILE 60 N 0.00 1.28 -0.56 2.00 2.04 -1.31 -3.05 117.51 117.92 2k4h h ILE 60 Ca 0.00 -2.35 -0.03 0.00 1.00 0.00 0.00 64.86 63.48 2k4h h ILE 60 Cb 0.43 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2k4h h ILE 60 CO 0.00 0.72 0.23 -0.07 0.00 0.00 0.00 178.15 179.03 2k4h h LEU 61 N 0.32 0.76 -1.63 1.44 3.38 -1.27 -0.09 115.31 118.22 2k4h h LEU 61 Ca -0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 2k4h h LEU 61 Cb 1.80 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 2k4h h LEU 61 CO 0.22 0.72 -0.19 0.00 0.09 0.00 0.00 178.44 179.27 2k4h h THR 62 N 0.76 1.10 0.11 0.22 1.03 -1.62 0.29 112.91 114.80 2k4h h THR 62 Ca 0.19 -0.67 -0.27 0.00 -0.01 0.00 0.00 66.41 65.64 2k4h h THR 62 Cb 0.19 1.37 -0.00 0.00 -1.07 0.00 0.00 68.15 68.63 2k4h h THR 62 CO -0.02 0.19 -1.25 0.58 -0.01 0.00 0.00 175.52 175.01 2k4h h VAL 63 N 0.00 1.48 0.00 0.00 2.07 -1.31 -3.29 116.25 115.20 2k4h h VAL 63 Ca -0.00 -3.08 -0.04 0.00 0.82 0.00 0.00 66.70 64.39 2k4h h VAL 63 Cb 0.35 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2k4h h VAL 63 CO 0.03 0.89 -0.41 -0.07 0.02 0.00 0.00 177.57 178.02 2k4h h LEU 64 N 0.06 0.00 0.12 2.57 3.38 -0.60 -3.28 115.31 117.56 2k4h h LEU 64 Ca -0.13 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2k4h h LEU 64 Cb 1.95 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.66 2k4h h LEU 64 CO 0.19 0.19 -0.44 0.44 0.09 0.00 0.00 178.44 178.91 2k4h h ASP 65 N 0.00 -1.33 0.95 -0.43 3.32 -0.51 0.49 116.42 118.91 2k4h h ASP 65 Ca -0.01 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2k4h h ASP 65 Cb 1.16 0.49 0.00 0.00 0.22 0.00 0.00 39.33 41.20 2k4h h ASP 65 CO 0.02 -0.47 0.00 1.55 -1.72 0.00 0.00 179.24 178.62 2k4h h PRO 66 N -0.64 0.00 0.00 3.56 0.13 -1.72 -2.65 132.00 130.68 2k4h h PRO 66 Ca -0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 2k4h h PRO 66 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 2k4h h PRO 66 CO -0.23 0.00 -0.33 0.52 -0.23 0.00 0.00 178.00 177.72 2k4h h MET 67 N 0.00 0.00 0.45 0.86 2.86 -1.38 -3.31 114.93 114.40 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 0.47 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2k4h h MET 67 CO 0.00 0.33 -0.42 0.28 1.06 0.00 0.00 176.91 178.17 2k4h h VAL 68 N 0.00 0.16 0.00 -2.22 2.07 -0.55 0.18 116.25 115.89 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 1.15 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2k4h h VAL 68 CO 0.04 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.82 2k4h n PRO 69 N -5.51 0.48 -1.66 1.57 -0.04 -1.25 -2.47 135.00 126.12 2k4h n PRO 69 Ca -0.11 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.37 2k4h n PRO 69 Cb 0.41 -1.47 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2k4h n PRO 69 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k4h n THR 70 N -0.97 0.73 -4.11 0.52 -2.24 -0.52 -5.09 114.28 102.59 2k4h n THR 70 Ca 0.11 -1.90 -0.12 0.00 -2.27 0.00 0.00 64.05 59.87 2k4h n THR 70 Cb 0.05 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 2k4h n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k4h n GLY 71 N -0.03 3.06 0.00 3.38 0.00 0.52 -4.92 105.19 107.19 2k4h n GLY 71 Ca 0.10 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.04 1.88 -0.19 1.61 3.41 -1.26 -4.92 113.62 112.10 2k4h n SER 72 Ca 0.04 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2k4h n SER 72 Cb 0.40 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.28 -0.19 4.33 4.81 -1.98 0.32 114.58 122.15 2k4h h GLU 73 Ca 0.00 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2k4h h GLU 73 Cb 0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2k4h h GLU 73 CO 0.00 0.18 0.24 -0.91 -0.73 0.00 0.00 179.01 177.79 2k4h h ASN 74 N 0.28 0.00 0.00 1.04 2.35 -2.00 0.54 115.58 117.79 2k4h h ASN 74 Ca 0.31 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.89 2k4h h ASN 74 Cb 0.44 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 2k4h h ASN 74 CO -0.38 0.00 -1.02 0.25 -1.65 0.00 0.00 177.43 174.63 2k4h h LEU 75 N 0.00 0.00 -1.80 1.61 6.46 -0.87 -3.37 115.31 117.34 2k4h h LEU 75 Ca 0.09 -0.44 0.11 0.00 -0.12 0.00 0.00 57.88 57.52 2k4h h LEU 75 Cb 0.57 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 2k4h h LEU 75 CO -0.00 1.31 0.35 0.11 -0.62 0.00 0.00 178.44 179.59 2k4h h LYS 76 N -1.00 0.21 -0.94 1.25 1.57 -0.42 -0.95 116.57 116.30 2k4h h LYS 76 Ca -0.26 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.55 2k4h h LYS 76 Cb 1.12 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.32 2k4h h LYS 76 CO -0.16 0.14 0.61 0.77 -0.57 0.00 0.00 179.45 180.24 2k4h h SER 77 N 0.22 1.00 -0.22 0.86 0.02 -1.06 -2.29 113.55 112.07 2k4h h SER 77 Ca 0.24 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.08 2k4h h SER 77 Cb 0.66 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2k4h h SER 77 CO -0.04 0.68 -0.29 0.25 -1.14 0.00 0.00 176.83 176.28 2k4h h LEU 78 N 1.16 0.65 -0.88 5.07 5.85 -1.33 -2.52 115.31 123.31 2k4h h LEU 78 Ca 0.38 -0.50 0.15 0.00 0.84 0.00 0.00 57.88 58.75 2k4h h LEU 78 Cb 0.04 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 40.79 2k4h h LEU 78 CO -0.13 1.02 0.47 0.15 -0.34 0.00 0.00 178.44 179.61 2k4h h PHE 79 N 0.29 0.82 -0.28 1.25 3.57 -1.14 0.32 116.94 121.77 2k4h h PHE 79 Ca 0.03 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 2k4h h PHE 79 Cb 0.87 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 2k4h h PHE 79 CO 0.08 0.20 -0.54 -0.91 -2.23 0.00 0.00 178.31 174.91 2k4h h ASN 80 N 0.66 0.93 -0.64 0.41 4.21 -1.39 -3.02 115.58 116.75 2k4h h ASN 80 Ca 0.48 -0.50 -0.09 0.00 1.21 0.00 0.00 56.30 57.40 2k4h h ASN 80 Cb 0.68 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.59 2k4h h ASN 80 CO -0.36 1.29 0.04 0.74 -1.29 0.00 0.00 177.43 177.84 2k4h h THR 81 N 0.65 1.27 0.00 2.81 2.02 -0.68 -2.62 112.91 116.34 2k4h h THR 81 Ca 0.02 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.05 2k4h h THR 81 Cb 1.14 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2k4h h THR 81 CO 0.12 0.41 -0.11 0.58 0.37 0.00 0.00 175.52 176.89 2k4h h VAL 82 N 1.01 0.96 -0.18 3.16 2.07 -0.42 -1.76 116.25 121.10 2k4h h VAL 82 Ca 0.19 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 2k4h h VAL 82 Cb 0.52 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2k4h h VAL 82 CO 0.03 0.11 -0.28 0.00 0.02 0.00 0.00 177.57 177.44 2k4h h VAL 84 N 0.31 1.50 0.67 0.00 2.07 -1.32 -3.09 116.25 116.38 2k4h h VAL 84 Ca 0.04 -2.24 -0.03 0.00 0.82 0.00 0.00 66.70 65.30 2k4h h VAL 84 Cb 0.65 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.32 2k4h h VAL 84 CO 0.05 0.63 -0.38 0.40 0.02 0.00 0.00 177.57 178.29 2k4h h ILE 85 N -0.32 0.23 -0.78 4.57 1.08 -1.37 -2.58 117.51 118.33 2k4h h ILE 85 Ca -0.09 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.55 2k4h h ILE 85 Cb 1.36 0.23 -0.11 0.00 -3.07 0.00 0.00 36.82 35.23 2k4h h ILE 85 CO 0.11 0.00 0.25 -0.25 -0.69 0.00 0.00 178.15 177.57 2k4h h TRP 86 N -0.97 0.41 -0.42 1.37 7.01 -1.50 -0.50 115.95 121.34 2k4h h TRP 86 Ca -0.09 0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.04 2k4h h TRP 86 Cb 0.78 -0.06 -0.07 0.00 -2.10 0.00 0.00 29.16 27.71 2k4h h TRP 86 CO -0.08 -0.05 -0.01 0.00 -2.79 0.00 0.00 178.44 175.52 2k4h h ILE 88 N 0.10 0.76 -0.01 0.00 2.04 -0.70 0.31 117.51 120.00 2k4h h ILE 88 Ca 0.21 -0.23 -0.19 0.00 1.00 0.00 0.00 64.86 65.65 2k4h h ILE 88 Cb 0.30 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2k4h h ILE 88 CO -0.36 0.12 -0.83 0.45 0.00 0.00 0.00 178.15 177.53 2k4h h HIS 89 N 0.66 0.27 -0.26 1.37 3.86 -0.90 -3.07 115.15 117.09 2k4h h HIS 89 Ca 0.50 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2k4h h HIS 89 Cb 0.89 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2k4h h HIS 89 CO -0.00 0.94 0.00 0.00 0.86 0.00 0.00 177.93 179.72 2k4h n ALA 90 N -2.46 2.70 -0.95 2.45 0.00 -0.00 -4.75 120.51 117.51 2k4h n ALA 90 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2k4h n ALA 90 Cb 0.78 -1.01 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 0.29 -0.82 -2.50 0.00 2.13 -0.72 -4.96 120.64 114.06 2k4h n GLU 91 Ca 0.10 0.20 -0.42 0.00 0.66 0.00 0.00 57.16 57.71 2k4h n GLU 91 Cb 0.40 -3.93 -0.03 0.00 0.27 0.00 0.00 31.44 28.14 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 -0.93 4.52 -0.09 5.31 0.41 0.88 -4.97 118.70 123.83 2k4h s GLU 92 Ca 0.00 1.70 0.02 0.00 -0.41 0.00 0.00 54.97 56.28 2k4h s GLU 92 Cb 0.00 -3.33 -0.02 0.00 -1.78 0.00 0.00 34.13 29.00 2k4h s GLU 92 CO 0.00 -0.08 -0.15 0.15 -0.49 0.00 0.00 175.26 174.68 2k4h s LYS 93 N 0.43 2.98 -0.01 1.61 3.01 -1.26 -3.74 119.74 122.77 2k4h s LYS 93 Ca 0.54 -0.72 0.02 0.00 -1.01 0.00 0.00 55.97 54.80 2k4h s LYS 93 Cb -0.28 -2.48 -0.01 0.00 -1.01 0.00 0.00 37.83 34.06 2k4h s LYS 93 CO 0.31 0.37 -0.08 0.14 0.51 0.00 0.00 175.35 176.60 2k4h s VAL 94 N -0.06 0.60 -0.00 3.17 -7.23 -1.26 -5.01 120.40 110.60 2k4h s VAL 94 Ca -0.03 -0.33 -0.23 0.00 -1.81 0.00 0.00 61.98 59.58 2k4h s VAL 94 Cb -0.14 -0.50 -0.19 0.00 0.56 0.00 0.00 36.38 36.11 2k4h s VAL 94 CO 0.04 0.17 1.23 0.11 -0.31 0.00 0.00 175.10 176.33 2k4h h LYS 95 N 5.95 0.21 -5.07 4.82 1.57 -1.96 -3.43 116.57 118.67 2k4h h LYS 95 Ca -0.30 -0.14 -0.35 0.00 -1.87 0.00 0.00 60.65 57.99 2k4h h LYS 95 Cb 1.18 0.02 -0.20 0.00 0.08 0.00 0.00 32.23 33.31 2k4h h LYS 95 CO 0.50 0.73 -0.75 0.16 -0.57 0.00 0.00 179.45 179.52 2k4h s ASP 96 N -6.07 1.47 0.40 0.86 1.47 -1.26 -2.26 116.67 111.27 2k4h s ASP 96 Ca -0.15 -0.69 0.23 0.00 1.18 0.00 0.00 52.55 53.12 2k4h s ASP 96 Cb 0.03 -0.01 1.26 0.00 -0.34 0.00 0.00 42.92 43.86 2k4h s ASP 96 CO 0.73 -0.17 1.67 0.74 0.68 0.00 0.00 175.17 178.81 2k4h h THR 97 N 4.00 0.26 -0.19 2.11 2.02 -1.45 0.17 112.91 119.83 2k4h h THR 97 Ca -0.39 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 66.77 2k4h h THR 97 Cb 1.19 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 2k4h h THR 97 CO 0.46 0.04 -0.18 -0.33 0.37 0.00 0.00 175.52 175.88 2k4h h GLU 98 N 0.22 -0.19 0.00 6.66 4.39 -1.86 -0.82 114.58 122.99 2k4h h GLU 98 Ca 0.74 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.44 2k4h h GLU 98 Cb 2.08 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.77 2k4h h GLU 98 CO -0.44 -0.12 -0.09 0.78 -1.16 0.00 0.00 179.01 177.97 2k4h h GLY 99 N -0.19 0.00 0.98 -3.84 0.00 -1.07 -2.43 103.07 96.52 2k4h h GLY 99 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 2k4h h GLY 99 CO -0.30 0.00 0.09 0.00 0.00 0.00 0.00 176.54 176.33 2k4h h ALA 100 N 1.91 0.65 0.00 3.60 0.00 -0.90 -1.67 119.26 122.84 2k4h h ALA 100 Ca -0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2k4h h ALA 100 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k4h h ALA 100 CO 0.01 0.37 -0.41 -0.22 0.00 0.00 0.00 179.25 178.99 2k4h h LYS 101 N 0.68 0.00 -0.20 0.00 3.64 -0.94 -1.00 116.57 118.75 2k4h h LYS 101 Ca 0.15 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.33 2k4h h LYS 101 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2k4h h LYS 101 CO 0.01 0.41 -0.68 0.37 -2.27 0.00 0.00 179.45 177.29 2k4h h GLN 102 N 0.00 0.78 -0.03 1.90 4.15 -1.14 -0.77 115.11 119.99 2k4h h GLN 102 Ca -0.00 -0.57 -0.13 0.00 0.77 0.00 0.00 58.65 58.71 2k4h h GLN 102 Cb 0.79 0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.59 2k4h h GLN 102 CO 0.05 1.19 -0.50 0.82 -1.93 0.00 0.00 178.83 178.47 2k4h h ILE 103 N 0.56 1.42 -0.10 2.39 2.04 -1.17 -3.01 117.51 119.65 2k4h h ILE 103 Ca -0.02 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 63.87 2k4h h ILE 103 Cb 1.30 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.85 2k4h h ILE 103 CO 0.14 0.57 0.01 0.58 0.00 0.00 0.00 178.15 179.45 2k4h h VAL 104 N -0.10 1.22 -0.44 1.67 2.07 -1.25 -3.02 116.25 116.39 2k4h h VAL 104 Ca -0.05 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 66.86 2k4h h VAL 104 Cb 1.19 1.50 -0.08 0.00 -1.52 0.00 0.00 31.29 32.37 2k4h h VAL 104 CO 0.10 0.20 -0.07 -0.09 0.02 0.00 0.00 177.57 177.72 2k4h h ARG 105 N -0.08 0.03 -0.34 1.57 2.43 -1.24 0.22 114.38 116.97 2k4h h ARG 105 Ca 0.03 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 2k4h h ARG 105 Cb 0.30 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2k4h h ARG 105 CO 0.00 0.02 0.29 0.00 -1.51 0.00 0.00 179.97 178.77 2k4h h ARG 106 N 0.03 0.00 0.00 0.20 2.47 -1.48 0.13 114.38 115.73 2k4h h ARG 106 Ca 0.21 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.79 2k4h h ARG 106 Cb 0.32 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 2k4h h ARG 106 CO -0.42 0.00 -0.86 0.45 0.56 0.00 0.00 179.97 179.70 2k4h h HIS 107 N 0.00 0.00 0.14 3.04 3.86 -0.50 -3.29 115.15 118.41 2k4h h HIS 107 Ca 0.16 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.10 2k4h h HIS 107 Cb 0.74 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.21 2k4h h HIS 107 CO 0.00 0.59 -1.34 -0.07 0.86 0.00 0.00 177.93 177.97 2k4h h LEU 108 N 0.00 0.48 -2.10 2.43 3.38 0.29 -3.32 115.31 116.46 2k4h h LEU 108 Ca -0.06 -0.89 0.09 0.00 0.09 0.00 0.00 57.88 57.11 2k4h h LEU 108 Cb 1.50 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2k4h h LEU 108 CO 0.07 1.60 0.27 0.58 0.09 0.00 0.00 178.44 181.05 2k4h h VAL 109 N -0.22 0.59 -0.10 1.22 2.07 -1.16 0.27 116.25 118.91 2k4h h VAL 109 Ca -0.27 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 2k4h h VAL 109 Cb 1.82 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2k4h h VAL 109 CO 0.11 0.00 -0.56 0.00 0.02 0.00 0.00 177.57 177.15 2k4h h ALA 110 N 1.75 0.86 0.00 1.67 0.00 -1.66 -2.50 119.26 119.38 2k4h h ALA 110 Ca 0.14 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 2k4h h ALA 110 Cb 0.67 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2k4h h ALA 110 CO -0.00 0.69 -1.45 0.93 0.00 0.00 0.00 179.25 179.43 2k4h h GLU 111 N 0.24 0.00 -0.83 0.00 3.07 -1.02 -3.33 114.58 112.71 2k4h h GLU 111 Ca 0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.64 2k4h h GLU 111 Cb 1.05 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.83 2k4h h GLU 111 CO 0.09 0.37 0.29 2.41 -1.40 0.00 0.00 179.01 180.77 2k4h n THR 112 N -2.96 2.61 -1.03 1.13 -1.04 0.70 -4.20 114.28 109.50 2k4h n THR 112 Ca -0.11 -1.41 0.08 0.00 -2.04 0.00 0.00 64.05 60.57 2k4h n THR 112 Cb 0.90 -0.44 0.25 0.00 -1.82 0.00 0.00 70.33 69.22 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 -0.20 4.15 0.06 3.41 0.00 -0.95 -4.48 105.19 107.18 2k4h n GLY 113 Ca 0.37 -1.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.61 0.79 0.28 2.61 5.66 -1.26 -4.35 114.28 117.41 2k4h n THR 114 Ca 0.22 -0.64 0.13 0.00 -3.05 0.00 0.00 64.05 60.72 2k4h n THR 114 Cb 0.89 -0.33 0.81 0.00 -1.55 0.00 0.00 70.33 70.15 2k4h n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4h h ALA 115 N 1.15 1.48 -0.85 1.79 0.00 -1.89 -1.51 119.26 119.43 2k4h h ALA 115 Ca -0.31 -0.05 -0.46 0.00 0.00 0.00 0.00 54.91 54.09 2k4h h ALA 115 Cb 1.67 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 19.19 2k4h h ALA 115 CO 0.02 0.06 0.58 -1.91 0.00 0.00 0.00 179.25 178.00 2k4h n GLU 116 N -3.85 2.10 -1.78 0.00 2.13 -1.26 -4.11 120.64 113.87 2k4h n GLU 116 Ca -0.03 -2.59 0.02 0.00 0.66 0.00 0.00 57.16 55.23 2k4h n GLU 116 Cb 0.14 -2.01 0.02 0.00 0.27 0.00 0.00 31.44 29.86 2k4h n GLU 116 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k4h n LYS 117 N -0.88 0.40 -3.99 5.31 5.02 -0.57 -5.09 118.16 118.36 2k4h n LYS 117 Ca 0.51 -2.25 -0.09 0.00 -2.02 0.00 0.00 58.31 54.47 2k4h n LYS 117 Cb 1.43 -0.31 -0.11 0.00 -0.02 0.00 0.00 35.03 36.03 2k4h n LYS 117 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2k4h s MET 118 N -0.82 0.41 0.59 1.97 -1.94 -1.26 -5.08 119.30 113.17 2k4h s MET 118 Ca 0.30 -0.73 -0.18 0.00 -1.71 0.00 0.00 55.69 53.37 2k4h s MET 118 Cb 0.35 0.15 -0.04 0.00 2.01 0.00 0.00 34.83 37.31 2k4h s MET 118 CO -0.13 -0.08 1.12 -1.25 -0.01 0.00 0.00 175.02 174.68 2k4h s PRO 119 N -2.06 3.14 0.54 2.03 0.04 -1.26 -4.97 135.00 132.45 2k4h s PRO 119 Ca -0.10 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.26 2k4h s PRO 119 Cb -0.05 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2k4h s PRO 119 CO -0.03 -1.01 1.07 0.45 0.04 0.00 0.00 177.00 177.52 2k4h n SER 120 N -1.73 1.34 -4.72 6.66 2.88 -1.26 -5.02 113.62 111.77 2k4h n SER 120 Ca 0.11 0.90 -0.29 0.00 -1.33 0.00 0.00 58.87 58.26 2k4h n SER 120 Cb 0.51 -1.42 -0.08 0.00 -0.75 0.00 0.00 64.21 62.47 2k4h n SER 120 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2k4h s THR 121 N -1.40 1.72 0.51 2.46 -4.23 -1.26 -5.12 115.64 108.31 2k4h s THR 121 Ca 0.72 -1.89 -0.22 0.00 -1.18 0.00 0.00 61.69 59.12 2k4h s THR 121 Cb -0.45 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.72 2k4h s THR 121 CO 0.50 0.00 1.22 -0.44 -0.54 0.00 0.00 174.62 175.36 2k4h s SER 122 N -3.87 5.77 0.05 3.99 0.01 -1.26 -5.03 113.70 113.37 2k4h s SER 122 Ca 0.25 2.43 -0.00 0.00 1.31 0.00 0.00 55.95 59.94 2k4h s SER 122 Cb 0.05 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2k4h s SER 122 CO 0.14 -1.20 0.19 -0.13 0.41 0.00 0.00 173.24 172.65 2k4h s ARG 123 N -2.88 3.37 0.21 12.44 1.81 -1.26 -5.11 118.95 127.53 2k4h s ARG 123 Ca 0.68 -0.45 -0.04 0.00 -1.72 0.00 0.00 55.73 54.21 2k4h s ARG 123 Cb -0.32 -3.01 0.05 0.00 -0.45 0.00 0.00 34.95 31.23 2k4h s ARG 123 CO 0.37 0.62 0.19 -0.35 -0.68 0.00 0.00 175.30 175.45 2k4h n PRO 124 N 0.43 -1.39 -2.59 3.54 -0.04 -1.26 -5.08 135.00 128.61 2k4h n PRO 124 Ca -0.06 -0.30 -0.19 0.00 -0.04 0.00 0.00 63.50 62.90 2k4h n PRO 124 Cb 0.51 -0.28 0.08 0.00 -0.04 0.00 0.00 33.50 33.78 2k4h n PRO 124 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k4h n THR 125 N -2.92 0.00 -2.05 0.52 -1.04 -1.26 -5.07 114.28 102.46 2k4h n THR 125 Ca 0.03 -1.59 -0.36 0.00 -2.04 0.00 0.00 64.05 60.08 2k4h n THR 125 Cb 0.10 -0.75 0.03 0.00 -1.82 0.00 0.00 70.33 67.89 2k4h n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k4h s ALA 126 N -2.89 2.58 1.23 2.41 0.00 -1.26 -5.02 121.76 118.81 2k4h s ALA 126 Ca 0.58 0.99 -0.19 0.00 0.00 0.00 0.00 51.96 53.34 2k4h s ALA 126 Cb -0.04 -3.44 0.28 0.00 0.00 0.00 0.00 23.12 19.92 2k4h s ALA 126 CO 0.38 -1.10 0.99 -0.35 0.00 0.00 0.00 175.76 175.67 2k4h n PRO 127 N -1.51 -2.96 -2.29 0.00 -0.04 -1.26 -4.94 135.00 121.99 2k4h n PRO 127 Ca 0.13 -1.58 -0.43 0.00 -0.04 0.00 0.00 63.50 61.58 2k4h n PRO 127 Cb 0.50 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2k4h n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k4h s SER 128 N -4.17 6.87 0.64 3.54 0.15 -1.26 -5.02 113.70 114.45 2k4h s SER 128 Ca 0.64 1.89 -0.02 0.00 0.70 0.00 0.00 55.95 59.17 2k4h s SER 128 Cb -0.06 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.76 2k4h s SER 128 CO 0.49 -0.79 0.34 -1.20 1.20 0.00 0.00 173.24 173.29 2k4h n SER 129 N 6.55 0.31 -4.68 5.45 7.64 -1.26 -5.00 113.62 122.63 2k4h n SER 129 Ca 0.15 -1.30 -0.42 0.00 1.01 0.00 0.00 58.87 58.30 2k4h n SER 129 Cb 0.44 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 2k4h n SER 129 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k4h s GLU 130 N -3.43 4.18 -0.01 1.43 2.02 -1.26 -4.98 118.70 116.65 2k4h s GLU 130 Ca 0.22 2.41 -0.26 0.00 0.02 0.00 0.00 54.97 57.36 2k4h s GLU 130 Cb -0.01 -3.70 0.06 0.00 0.10 0.00 0.00 34.13 30.58 2k4h s GLU 130 CO 0.15 -0.79 0.57 -1.59 0.02 0.00 0.00 175.26 173.61 2k4h s LYS 131 N 3.00 0.99 0.75 1.61 -2.85 -1.26 -5.16 119.74 116.83 2k4h s LYS 131 Ca 0.77 0.03 -0.15 0.00 -1.00 0.00 0.00 55.97 55.62 2k4h s LYS 131 Cb -0.41 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 35.81 2k4h s LYS 131 CO 0.34 -0.32 0.68 0.41 0.10 0.00 0.00 175.35 176.56 2k4h n GLY 132 N 0.81 -1.18 0.15 0.59 0.00 -1.26 -4.80 105.19 99.49 2k4h n GLY 132 Ca -0.19 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.40 0.13 3.58 -0.02 0.00 -1.26 -5.14 105.19 103.89 2k4h n GLY 133 Ca 0.11 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 2k4h n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4h s ASN 134 N 0.00 3.26 0.00 1.61 4.22 -1.26 -5.20 114.94 117.57 2k4h s ASN 134 Ca 0.00 -1.50 0.00 0.00 -2.14 0.00 0.00 52.86 49.22 2k4h s ASN 134 Cb 0.00 0.09 0.00 0.00 1.28 0.00 0.00 41.25 42.62 2k4h s ASN 134 CO 0.00 -0.69 0.00 0.00 -2.04 0.00 0.00 177.10 174.37