#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4i n ALA 3 N 0.00 -0.29 -0.35 4.61 0.00 -1.26 -5.06 120.51 118.16 2k4i n ALA 3 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k4i n ALA 3 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2k4i n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k4i n ARG 4 N -2.04 0.00 -3.44 0.00 5.12 -1.26 -4.99 116.66 110.05 2k4i n ARG 4 Ca 0.01 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.67 2k4i n ARG 4 Cb 0.04 -0.01 -0.09 0.00 -1.16 0.00 0.00 32.46 31.24 2k4i n ARG 4 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2k4i n ASN 5 N -1.98 1.37 -2.66 0.55 3.02 -1.26 -4.93 115.26 109.37 2k4i n ASN 5 Ca 0.00 -2.88 -0.04 0.00 -0.03 0.00 0.00 54.58 51.63 2k4i n ASN 5 Cb 0.00 -0.65 0.06 0.00 -0.61 0.00 0.00 39.78 38.59 2k4i n ASN 5 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2k4i n SER 6 N 1.79 -1.27 -0.05 6.41 3.41 -1.26 -5.04 113.62 117.60 2k4i n SER 6 Ca 0.25 -1.43 -0.08 0.00 -0.26 0.00 0.00 58.87 57.35 2k4i n SER 6 Cb 0.45 0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 65.03 2k4i n SER 6 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2k4i n VAL 7 N 1.86 0.58 -2.16 -3.33 0.31 -1.26 -5.01 118.33 109.32 2k4i n VAL 7 Ca 0.04 -0.20 -0.39 0.00 -0.01 0.00 0.00 64.34 63.79 2k4i n VAL 7 Cb 0.69 -1.11 -0.01 0.00 -0.91 0.00 0.00 33.84 32.50 2k4i n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2k4i s LEU 8 N -5.91 4.19 0.00 7.52 1.43 -1.26 -5.03 118.68 119.63 2k4i s LEU 8 Ca -0.14 2.51 -0.03 0.00 -1.03 0.00 0.00 54.13 55.45 2k4i s LEU 8 Cb 0.04 -3.97 0.04 0.00 0.03 0.00 0.00 46.19 42.33 2k4i s LEU 8 CO 0.22 -0.79 0.18 -1.14 0.23 0.00 0.00 176.35 175.05 2k4i n ARG 9 N 0.07 -0.65 -0.05 1.70 3.00 -1.26 -4.90 116.66 114.57 2k4i n ARG 9 Ca 0.04 -0.29 -0.03 0.00 -0.00 0.00 0.00 57.85 57.58 2k4i n ARG 9 Cb 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 32.46 32.68 2k4i n ARG 9 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2k4i h GLY 10 N -0.49 0.00 2.00 5.14 0.00 -1.99 -3.13 103.07 104.60 2k4i h GLY 10 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 2k4i h GLY 10 CO 0.04 0.00 -0.45 0.50 0.00 0.00 0.00 176.54 176.64 2k4i h LYS 11 N -0.70 0.00 -0.07 4.80 1.57 -2.02 -2.90 116.57 117.25 2k4i h LYS 11 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2k4i h LYS 11 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2k4i h LYS 11 CO 0.00 0.45 -0.74 0.87 -0.57 0.00 0.00 179.45 179.45 2k4i h LYS 12 N 0.00 0.37 -0.88 3.15 1.57 -1.98 -3.20 116.57 115.60 2k4i h LYS 12 Ca -0.00 -0.31 0.11 0.00 -1.87 0.00 0.00 60.65 58.57 2k4i h LYS 12 Cb 0.80 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.09 2k4i h LYS 12 CO 0.06 0.96 0.51 0.00 -0.57 0.00 0.00 179.45 180.41 2k4i h ALA 13 N 0.95 1.28 0.43 3.86 0.00 -1.45 -1.03 119.26 123.30 2k4i h ALA 13 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k4i h ALA 13 Cb 1.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2k4i h ALA 13 CO 0.13 0.12 -0.40 -0.44 0.00 0.00 0.00 179.25 178.65 2k4i h ASP 14 N 0.83 -1.08 -0.91 0.00 3.32 -1.60 0.16 116.42 117.15 2k4i h ASP 14 Ca 0.43 0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.65 2k4i h ASP 14 Cb 0.43 0.36 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 2k4i h ASP 14 CO -0.26 -0.56 0.57 -0.08 -1.72 0.00 0.00 179.24 177.19 2k4i h GLU 15 N -0.84 0.97 -0.20 3.56 4.22 -1.56 0.51 114.58 121.23 2k4i h GLU 15 Ca -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 2k4i h GLU 15 Cb 0.74 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2k4i h GLU 15 CO -0.05 0.64 0.10 1.25 -2.18 0.00 0.00 179.01 178.77 2k4i h LEU 16 N 1.00 0.26 -0.05 1.64 7.12 -0.77 -0.29 115.31 124.21 2k4i h LEU 16 Ca 0.41 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.31 2k4i h LEU 16 Cb 0.26 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 2k4i h LEU 16 CO -0.20 0.30 0.00 -0.62 -0.13 0.00 0.00 178.44 177.79 2k4i n GLU 17 N -4.87 0.02 0.00 1.25 1.02 0.54 -3.00 120.64 115.60 2k4i n GLU 17 Ca -0.04 0.20 -0.22 0.00 -0.02 0.00 0.00 57.16 57.09 2k4i n GLU 17 Cb 0.09 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 2k4i n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k4i h ARG 18 N 0.00 0.25 -6.51 3.49 3.08 -0.06 -3.40 114.38 111.22 2k4i h ARG 18 Ca 0.00 -0.42 -0.60 0.00 0.07 0.00 0.00 59.98 59.03 2k4i h ARG 18 Cb 0.33 0.16 0.10 0.00 0.08 0.00 0.00 29.97 30.64 2k4i h ARG 18 CO 0.00 1.20 0.28 -0.89 -1.07 0.00 0.00 179.97 179.50 2k4i n ILE 19 N -3.70 1.67 -4.23 2.04 5.41 -0.20 -4.82 119.36 115.52 2k4i n ILE 19 Ca -0.30 -0.42 -0.33 0.00 1.00 0.00 0.00 62.75 62.70 2k4i n ILE 19 Cb 0.98 -1.14 -0.08 0.00 -0.71 0.00 0.00 39.64 38.69 2k4i n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4i s ARG 20 N -1.25 2.91 0.61 0.38 0.52 -1.11 -1.41 118.95 119.60 2k4i s ARG 20 Ca 0.62 -0.53 0.33 0.00 -0.52 0.00 0.00 55.73 55.62 2k4i s ARG 20 Cb -0.70 -2.75 1.94 0.00 0.52 0.00 0.00 34.95 33.96 2k4i s ARG 20 CO 0.58 0.65 2.25 -0.07 0.02 0.00 0.00 175.30 178.73 2k4i h LEU 21 N 4.40 0.00 -8.49 2.53 3.38 -1.40 -2.57 115.31 113.17 2k4i h LEU 21 Ca -0.49 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.23 2k4i h LEU 21 Cb 1.18 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 2k4i h LEU 21 CO 0.58 0.00 -0.70 -0.13 0.09 0.00 0.00 178.44 178.29 2k4i s ARG 22 N -4.51 0.89 0.27 1.13 0.52 -1.26 -4.22 118.95 111.76 2k4i s ARG 22 Ca -0.05 -1.37 0.05 0.00 -0.52 0.00 0.00 55.73 53.84 2k4i s ARG 22 Cb 0.14 -0.27 0.37 0.00 0.52 0.00 0.00 34.95 35.72 2k4i s ARG 22 CO 0.51 -0.01 1.65 -1.00 0.02 0.00 0.00 175.30 176.47 2k4i h PRO 23 N 2.92 0.28 -0.11 3.54 0.13 -1.95 -3.20 132.00 133.61 2k4i h PRO 23 Ca -0.36 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k4i h PRO 23 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k4i h PRO 23 CO 0.64 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.51 2k4i n GLY 24 N -0.05 4.05 3.93 1.56 0.00 -1.26 -5.03 105.19 108.38 2k4i n GLY 24 Ca -0.02 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 2k4i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4i n GLY 25 N -0.78 1.21 0.00 -0.02 0.00 -1.21 -5.04 105.19 99.35 2k4i n GLY 25 Ca 0.14 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2k4i n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4i n LYS 26 N -2.61 6.53 -2.42 1.61 5.02 -1.26 -4.87 118.16 120.15 2k4i n LYS 26 Ca 0.17 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 56.01 2k4i n LYS 26 Cb 0.60 -0.54 -0.03 0.00 -0.02 0.00 0.00 35.03 35.04 2k4i n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k4i s LYS 27 N -0.99 4.38 0.13 1.97 1.02 -1.26 -4.99 119.74 120.00 2k4i s LYS 27 Ca 0.00 1.74 0.05 0.00 0.02 0.00 0.00 55.97 57.78 2k4i s LYS 27 Cb 0.00 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2k4i s LYS 27 CO 0.01 -0.38 0.05 0.15 -0.92 0.00 0.00 175.35 174.26 2k4i s LYS 28 N 1.74 2.65 0.44 1.68 1.02 -1.26 -0.99 119.74 125.01 2k4i s LYS 28 Ca 0.58 -0.90 -0.25 0.00 0.02 0.00 0.00 55.97 55.42 2k4i s LYS 28 Cb -0.27 -2.55 -0.08 0.00 -0.52 0.00 0.00 37.83 34.41 2k4i s LYS 28 CO 0.25 0.51 1.33 0.71 -0.92 0.00 0.00 175.35 177.23 2k4i s TYR 29 N -1.54 2.67 0.25 3.18 2.02 -0.50 -4.86 117.35 118.57 2k4i s TYR 29 Ca 0.28 1.38 -0.13 0.00 -0.37 0.00 0.00 57.07 58.24 2k4i s TYR 29 Cb -0.11 -3.72 -0.00 0.00 -0.40 0.00 0.00 41.96 37.73 2k4i s TYR 29 CO 0.20 -2.34 0.48 0.50 -1.57 0.00 0.00 175.55 172.83 2k4i s ARG 30 N -2.41 1.57 0.49 -0.62 3.52 -1.26 -4.20 118.95 116.04 2k4i s ARG 30 Ca 0.60 -1.27 0.28 0.00 -0.13 0.00 0.00 55.73 55.21 2k4i s ARG 30 Cb -0.39 0.47 1.36 0.00 -1.56 0.00 0.00 34.95 34.84 2k4i s ARG 30 CO 0.49 -0.66 1.84 -0.07 -0.81 0.00 0.00 175.30 176.10 2k4i h LEU 31 N 2.24 0.15 -0.95 -0.88 3.38 -2.00 0.14 115.31 117.40 2k4i h LEU 31 Ca -0.26 0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.85 2k4i h LEU 31 Cb 1.25 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 2k4i h LEU 31 CO 0.35 0.04 0.58 0.50 0.09 0.00 0.00 178.44 180.01 2k4i h LYS 32 N 0.14 0.88 -0.06 1.13 3.64 -1.99 -0.88 116.57 119.44 2k4i h LYS 32 Ca 0.49 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.65 2k4i h LYS 32 Cb 1.69 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 2k4i h LYS 32 CO -0.09 0.58 -0.71 0.45 -2.27 0.00 0.00 179.45 177.42 2k4i h HIS 33 N 0.91 0.40 -0.41 1.91 3.86 -1.12 -2.84 115.15 117.86 2k4i h HIS 33 Ca 0.48 -0.18 -0.10 0.00 -1.16 0.00 0.00 60.37 59.41 2k4i h HIS 33 Cb 0.49 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 2k4i h HIS 33 CO -0.02 0.91 -0.14 0.82 0.86 0.00 0.00 177.93 180.35 2k4i h ILE 34 N 0.20 1.26 -0.41 2.45 2.04 -1.10 -1.60 117.51 120.36 2k4i h ILE 34 Ca -0.02 -1.21 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 2k4i h ILE 34 Cb 1.27 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2k4i h ILE 34 CO 0.11 0.41 -0.18 0.58 0.00 0.00 0.00 178.15 179.08 2k4i h VAL 35 N 0.68 1.28 0.00 1.67 2.07 -1.27 -1.43 116.25 119.25 2k4i h VAL 35 Ca 0.11 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 2k4i h VAL 35 Cb 0.63 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2k4i h VAL 35 CO 0.04 0.44 -0.28 -0.25 0.02 0.00 0.00 177.57 177.54 2k4i h TRP 36 N 0.65 0.00 0.01 1.57 7.01 -1.38 -2.16 115.95 121.64 2k4i h TRP 36 Ca 0.09 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2k4i h TRP 36 Cb 0.73 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 2k4i h TRP 36 CO 0.06 0.28 -0.00 0.00 -2.79 0.00 0.00 178.44 175.98 2k4i h ALA 37 N 1.72 -0.01 -0.76 2.65 0.00 -1.07 -3.16 119.26 118.62 2k4i h ALA 37 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2k4i h ALA 37 Cb 0.74 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2k4i h ALA 37 CO 0.04 -0.07 0.44 0.00 0.00 0.00 0.00 179.25 179.65 2k4i h ALA 38 N 0.03 1.34 -0.10 0.00 0.00 -1.27 -1.78 119.26 117.48 2k4i h ALA 38 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k4i h ALA 38 Cb 0.82 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k4i h ALA 38 CO 0.00 0.56 -0.02 -0.97 0.00 0.00 0.00 179.25 178.82 2k4i h ASN 39 N 1.05 0.13 -0.32 0.00 -0.73 -1.49 -2.22 115.58 112.00 2k4i h ASN 39 Ca 0.27 -0.01 -0.16 0.00 1.87 0.00 0.00 56.30 58.27 2k4i h ASN 39 Cb -0.01 -0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.55 2k4i h ASN 39 CO -0.05 0.17 -0.41 0.11 -0.37 0.00 0.00 177.43 176.88 2k4i h LYS 40 N 0.14 0.84 0.06 6.67 1.79 -1.29 -2.94 116.57 121.85 2k4i h LYS 40 Ca 0.03 -0.48 -0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2k4i h LYS 40 Cb 0.13 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2k4i h LYS 40 CO 0.00 1.12 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.39 2k4i h LEU 41 N 0.63 -0.07 -0.31 2.94 3.38 -1.19 0.25 115.31 120.93 2k4i h LEU 41 Ca 0.04 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2k4i h LEU 41 Cb 1.01 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 2k4i h LEU 41 CO 0.10 0.02 -0.18 -0.78 0.09 0.00 0.00 178.44 177.69 2k4i h ASP 42 N -0.16 -0.59 0.10 -0.43 3.58 -1.17 0.39 116.42 118.14 2k4i h ASP 42 Ca -0.01 0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2k4i h ASP 42 Cb 0.14 0.31 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k4i h ASP 42 CO 0.01 -0.21 -0.05 0.03 -2.88 0.00 0.00 179.24 176.14 2k4i h ARG 43 N -0.14 -0.13 -0.59 0.28 2.47 -1.40 -3.14 114.38 111.72 2k4i h ARG 43 Ca 0.16 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 59.01 2k4i h ARG 43 Cb 0.39 0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.64 2k4i h ARG 43 CO -0.39 0.14 0.08 0.74 0.56 0.00 0.00 179.97 181.09 2k4i h PHE 44 N -0.40 0.11 0.00 3.04 0.04 -0.13 -3.45 116.94 116.15 2k4i h PHE 44 Ca -0.01 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2k4i h PHE 44 Cb 0.33 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.52 2k4i h PHE 44 CO 0.01 -0.08 0.00 0.41 -0.60 0.00 0.00 178.31 178.05 2k4i n GLY 45 N -1.33 0.27 3.94 -1.45 0.00 0.73 -5.08 105.19 102.27 2k4i n GLY 45 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2k4i n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4i s LEU 46 N 0.00 3.50 0.36 0.99 1.43 0.10 -4.94 118.68 120.12 2k4i s LEU 46 Ca 0.00 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 2k4i s LEU 46 Cb 0.00 -3.33 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 2k4i s LEU 46 CO 0.00 -0.82 0.54 0.00 0.23 0.00 0.00 176.35 176.30 2k4i s ALA 47 N -2.72 3.83 -0.45 4.21 0.00 -1.26 -2.56 121.76 122.81 2k4i s ALA 47 Ca 0.50 -1.08 0.23 0.00 0.00 0.00 0.00 51.96 51.61 2k4i s ALA 47 Cb -0.10 -2.00 0.28 0.00 0.00 0.00 0.00 23.12 21.30 2k4i s ALA 47 CO 0.41 -0.09 1.36 1.05 0.00 0.00 0.00 175.76 178.49 2k4i h GLU 48 N 0.73 0.00 0.00 0.00 4.11 -1.93 -3.27 114.58 114.22 2k4i h GLU 48 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2k4i h GLU 48 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k4i h GLU 48 CO 0.59 0.00 0.00 0.43 0.07 0.00 0.00 179.01 180.10 2k4i n SER 49 N -2.61 0.33 -0.02 3.06 7.64 -1.26 -1.56 113.62 119.20 2k4i n SER 49 Ca 0.03 0.59 0.13 0.00 1.01 0.00 0.00 58.87 60.63 2k4i n SER 49 Cb 0.50 -0.66 0.49 0.00 -1.01 0.00 0.00 64.21 63.53 2k4i n SER 49 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k4i n LEU 50 N -1.88 0.28 0.01 -3.43 4.77 -1.23 -3.33 117.00 112.19 2k4i n LEU 50 Ca 0.02 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.35 2k4i n LEU 50 Cb 0.17 -0.34 0.44 0.00 -2.33 0.00 0.00 43.42 41.35 2k4i n LEU 50 CO 0.14 0.06 0.73 0.18 -1.33 0.00 0.00 177.39 177.18 2k4i n LEU 51 N -1.38 0.30 -1.29 2.23 4.77 -0.60 -2.58 117.00 118.45 2k4i n LEU 51 Ca 0.08 0.32 0.03 0.00 -0.03 0.00 0.00 56.01 56.40 2k4i n LEU 51 Cb 0.32 -0.37 0.27 0.00 -2.33 0.00 0.00 43.42 41.31 2k4i n LEU 51 CO 0.29 0.02 0.80 -1.84 -1.33 0.00 0.00 177.39 175.33 2k4i n GLU 52 N -1.62 3.06 -3.64 3.23 0.28 -1.21 -4.90 120.64 115.84 2k4i n GLU 52 Ca 0.06 -2.99 -0.16 0.00 -0.16 0.00 0.00 57.16 53.91 2k4i n GLU 52 Cb 0.35 -1.96 -0.14 0.00 1.43 0.00 0.00 31.44 31.12 2k4i n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4i s SER 53 N -1.75 0.66 0.32 -1.84 0.15 -1.22 -5.03 113.70 105.00 2k4i s SER 53 Ca 0.47 0.38 0.07 0.00 0.70 0.00 0.00 55.95 57.56 2k4i s SER 53 Cb 0.38 0.47 0.74 0.00 -1.71 0.00 0.00 66.02 65.91 2k4i s SER 53 CO 0.09 -0.25 1.82 0.07 1.20 0.00 0.00 173.24 176.16 2k4i h LYS 54 N 8.33 0.75 -0.42 5.44 2.10 -1.90 0.58 116.57 131.46 2k4i h LYS 54 Ca -0.14 -0.05 -0.13 0.00 -2.00 0.00 0.00 60.65 58.33 2k4i h LYS 54 Cb 1.12 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 2k4i h LYS 54 CO 0.16 0.50 -0.26 1.49 -2.00 0.00 0.00 179.45 179.34 2k4i h GLU 55 N 0.78 0.87 -0.39 0.07 4.22 -1.95 -2.78 114.58 115.39 2k4i h GLU 55 Ca 0.52 -0.38 -0.13 0.00 0.08 0.00 0.00 59.36 59.45 2k4i h GLU 55 Cb 0.79 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2k4i h GLU 55 CO -0.29 1.03 -0.27 0.78 -2.18 0.00 0.00 179.01 178.07 2k4i h GLY 56 N 0.91 0.95 2.00 1.92 0.00 -1.21 -2.92 103.07 104.72 2k4i h GLY 56 Ca 0.09 -0.91 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 2k4i h GLY 56 CO 0.07 0.82 -0.13 0.00 0.00 0.00 0.00 176.54 177.30 2k4i h GLN 58 N 0.00 0.00 0.00 0.00 4.15 -1.30 -2.53 115.11 115.43 2k4i h GLN 58 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k4i h GLN 58 Cb 0.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2k4i h GLN 58 CO 0.02 0.49 0.00 1.63 -1.93 0.00 0.00 178.83 179.03 2k4i n LYS 59 N -3.79 0.24 -0.04 1.69 5.02 -0.69 -2.94 118.16 117.66 2k4i n LYS 59 Ca -0.01 0.26 -0.22 0.00 -2.02 0.00 0.00 58.31 56.32 2k4i n LYS 59 Cb 0.53 -1.82 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 2k4i n LYS 59 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k4i h ILE 60 N 0.00 0.78 0.00 -0.18 2.04 -1.41 -3.35 117.51 115.39 2k4i h ILE 60 Ca 0.00 -2.28 -0.03 0.00 1.00 0.00 0.00 64.86 63.55 2k4i h ILE 60 Cb 0.65 2.41 -0.00 0.00 -0.74 0.00 0.00 36.82 39.14 2k4i h ILE 60 CO 0.00 0.65 -0.15 -0.07 0.00 0.00 0.00 178.15 178.58 2k4i h LEU 61 N -0.39 0.00 -1.29 1.44 3.38 -1.52 -1.18 115.31 115.75 2k4i h LEU 61 Ca -0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 2k4i h LEU 61 Cb 1.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 2k4i h LEU 61 CO -0.03 0.15 -0.35 0.00 0.09 0.00 0.00 178.44 178.29 2k4i h THR 62 N 0.00 1.25 0.12 0.22 1.03 -1.68 0.17 112.91 114.02 2k4i h THR 62 Ca -0.00 -1.21 -0.34 0.00 -0.01 0.00 0.00 66.41 64.85 2k4i h THR 62 Cb 0.29 1.65 -0.01 0.00 -1.07 0.00 0.00 68.15 69.01 2k4i h THR 62 CO 0.02 0.35 -1.80 0.58 -0.01 0.00 0.00 175.52 174.65 2k4i h VAL 63 N 0.00 0.83 0.00 0.00 2.07 -1.48 -3.35 116.25 114.33 2k4i h VAL 63 Ca -0.00 -2.53 -0.04 0.00 0.82 0.00 0.00 66.70 64.94 2k4i h VAL 63 Cb 0.63 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2k4i h VAL 63 CO 0.05 0.81 -0.20 -0.07 0.02 0.00 0.00 177.57 178.18 2k4i h LEU 64 N 0.07 0.00 0.50 2.57 3.38 -1.16 -3.20 115.31 117.47 2k4i h LEU 64 Ca -0.35 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2k4i h LEU 64 Cb 2.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.77 2k4i h LEU 64 CO 0.12 0.20 -0.48 -0.78 0.09 0.00 0.00 178.44 177.59 2k4i h ASP 65 N 0.00 -1.31 0.66 -0.43 3.58 -0.78 -0.94 116.42 117.20 2k4i h ASP 65 Ca -0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2k4i h ASP 65 Cb 0.94 0.43 0.00 0.00 1.72 0.00 0.00 39.33 42.42 2k4i h ASP 65 CO 0.03 -0.64 0.00 -0.81 -2.88 0.00 0.00 179.24 174.93 2k4i n PRO 66 N -5.36 0.14 0.14 0.28 -0.04 -1.25 -2.15 135.00 126.76 2k4i n PRO 66 Ca -0.12 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 2k4i n PRO 66 Cb 0.44 -1.77 0.12 0.00 -0.04 0.00 0.00 33.50 32.26 2k4i n PRO 66 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k4i h MET 67 N 0.00 0.00 0.68 0.54 2.86 -1.38 -3.32 114.93 114.32 2k4i h MET 67 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2k4i h MET 67 Cb 0.33 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.00 2k4i h MET 67 CO 0.00 0.00 -0.33 0.28 1.06 0.00 0.00 176.91 177.92 2k4i h VAL 68 N 0.00 0.16 0.00 -2.22 2.07 -0.67 0.28 116.25 115.87 2k4i h VAL 68 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2k4i h VAL 68 Cb 0.93 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k4i h VAL 68 CO 0.00 0.02 0.00 -0.81 0.02 0.00 0.00 177.57 176.80 2k4i n PRO 69 N -5.41 0.44 -2.81 1.57 -0.04 -1.26 -3.46 135.00 124.02 2k4i n PRO 69 Ca -0.12 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.26 2k4i n PRO 69 Cb 0.38 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.41 2k4i n PRO 69 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k4i n THR 70 N -1.05 0.03 -3.86 0.52 -1.04 -1.09 -5.14 114.28 102.65 2k4i n THR 70 Ca 0.11 -2.23 -0.10 0.00 -2.04 0.00 0.00 64.05 59.79 2k4i n THR 70 Cb 0.06 0.99 0.01 0.00 -1.82 0.00 0.00 70.33 69.58 2k4i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k4i s GLY 71 N -1.62 0.57 0.70 3.41 0.00 0.97 -4.72 107.32 106.62 2k4i s GLY 71 Ca 0.26 -0.89 -0.05 0.00 0.00 0.00 0.00 44.72 44.04 2k4i s GLY 71 CO -0.06 -0.43 0.99 -1.35 0.00 0.00 0.00 173.10 172.25 2k4i s SER 72 N -3.10 4.75 0.22 1.64 1.04 -1.26 -4.94 113.70 112.05 2k4i s SER 72 Ca 0.18 0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 2k4i s SER 72 Cb -0.04 -0.92 0.20 0.00 0.10 0.00 0.00 66.02 65.35 2k4i s SER 72 CO 0.13 -1.62 1.68 1.05 0.98 0.00 0.00 173.24 175.46 2k4i h GLU 73 N -0.55 0.89 -0.15 4.02 4.11 -1.97 -2.36 114.58 118.56 2k4i h GLU 73 Ca -0.43 -0.29 0.04 0.00 0.07 0.00 0.00 59.36 58.75 2k4i h GLU 73 Cb 1.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2k4i h GLU 73 CO 0.56 0.92 0.22 -0.91 0.07 0.00 0.00 179.01 179.88 2k4i h ASN 74 N 0.80 0.00 0.00 3.06 2.35 -2.00 -0.88 115.58 118.91 2k4i h ASN 74 Ca 0.14 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.71 2k4i h ASN 74 Cb 0.58 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 2k4i h ASN 74 CO 0.04 0.00 -1.04 0.25 -1.65 0.00 0.00 177.43 175.03 2k4i h LEU 75 N 0.00 0.00 -1.70 1.61 6.46 -1.82 -3.35 115.31 116.50 2k4i h LEU 75 Ca 0.07 -0.49 0.18 0.00 -0.12 0.00 0.00 57.88 57.52 2k4i h LEU 75 Cb 0.52 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 2k4i h LEU 75 CO -0.00 1.35 0.52 0.50 -0.62 0.00 0.00 178.44 180.19 2k4i h LYS 76 N -1.00 0.27 -0.29 1.25 3.64 -0.99 -0.79 116.57 118.66 2k4i h LYS 76 Ca -0.27 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2k4i h LYS 76 Cb 1.17 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2k4i h LYS 76 CO -0.17 0.18 0.19 0.77 -2.27 0.00 0.00 179.45 178.16 2k4i h SER 77 N 0.28 0.34 0.29 4.20 0.02 -1.33 -2.11 113.55 115.23 2k4i h SER 77 Ca 0.38 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.24 2k4i h SER 77 Cb 1.07 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2k4i h SER 77 CO -0.10 0.25 -0.34 0.25 -1.14 0.00 0.00 176.83 175.75 2k4i h LEU 78 N 0.39 0.09 -1.09 5.07 5.85 -1.30 -2.67 115.31 121.65 2k4i h LEU 78 Ca 0.11 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 2k4i h LEU 78 Cb -0.04 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2k4i h LEU 78 CO -0.02 0.43 -0.08 0.15 -0.34 0.00 0.00 178.44 178.58 2k4i h PHE 79 N 0.08 0.58 -0.10 1.25 3.57 -0.81 -0.73 116.94 120.79 2k4i h PHE 79 Ca 0.01 -0.08 -0.16 0.00 3.53 0.00 0.00 57.97 61.27 2k4i h PHE 79 Cb 0.65 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2k4i h PHE 79 CO 0.00 0.62 -0.62 -0.91 -2.23 0.00 0.00 178.31 175.18 2k4i h ASN 80 N 0.51 0.39 0.01 0.41 4.21 -1.06 -2.88 115.58 117.17 2k4i h ASN 80 Ca 0.10 -0.23 -0.00 0.00 1.21 0.00 0.00 56.30 57.38 2k4i h ASN 80 Cb 0.45 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2k4i h ASN 80 CO 0.02 0.91 -0.00 0.74 -1.29 0.00 0.00 177.43 177.81 2k4i h THR 81 N 0.25 1.51 -0.64 2.81 2.02 -1.28 -3.22 112.91 114.37 2k4i h THR 81 Ca -0.01 -1.58 0.14 0.00 0.77 0.00 0.00 66.41 65.73 2k4i h THR 81 Cb 1.14 2.58 -0.04 0.00 -1.74 0.00 0.00 68.15 70.10 2k4i h THR 81 CO 0.10 0.41 0.44 0.58 0.37 0.00 0.00 175.52 177.42 2k4i h VAL 82 N -0.69 0.78 -0.04 3.16 2.07 -1.21 0.17 116.25 120.50 2k4i h VAL 82 Ca -0.00 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2k4i h VAL 82 Cb 0.68 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2k4i h VAL 82 CO 0.00 0.04 -0.22 0.00 0.02 0.00 0.00 177.57 177.42 2k4i h VAL 84 N 0.05 1.13 -0.82 0.00 2.07 -0.75 -3.21 116.25 114.73 2k4i h VAL 84 Ca 0.01 -2.72 -0.01 0.00 0.82 0.00 0.00 66.70 64.79 2k4i h VAL 84 Cb 0.42 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.96 2k4i h VAL 84 CO 0.03 0.83 0.47 0.40 0.02 0.00 0.00 177.57 179.32 2k4i h ILE 85 N 0.09 1.24 -0.56 4.57 1.08 -1.05 -2.11 117.51 120.76 2k4i h ILE 85 Ca -0.27 -0.56 -0.08 0.00 -0.39 0.00 0.00 64.86 63.57 2k4i h ILE 85 Cb 2.06 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 2k4i h ILE 85 CO 0.18 0.26 0.02 -0.25 -0.69 0.00 0.00 178.15 177.67 2k4i h TRP 86 N 1.13 1.05 0.84 1.37 7.01 -1.52 -2.69 115.95 123.14 2k4i h TRP 86 Ca 0.29 -0.17 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 2k4i h TRP 86 Cb -0.00 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.78 2k4i h TRP 86 CO 0.00 0.94 -0.46 0.00 -2.79 0.00 0.00 178.44 176.14 2k4i h ILE 88 N -1.20 0.59 0.04 0.00 2.04 -1.42 0.20 117.51 117.76 2k4i h ILE 88 Ca -0.11 -0.14 -0.22 0.00 1.00 0.00 0.00 64.86 65.38 2k4i h ILE 88 Cb 0.94 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2k4i h ILE 88 CO 0.15 0.08 -1.01 0.45 0.00 0.00 0.00 178.15 177.82 2k4i h HIS 89 N 0.42 0.25 -0.28 1.37 3.86 -1.11 -3.16 115.15 116.49 2k4i h HIS 89 Ca 0.55 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 2k4i h HIS 89 Cb 1.37 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.82 2k4i h HIS 89 CO -0.00 1.06 0.00 0.00 0.86 0.00 0.00 177.93 179.85 2k4i n ALA 90 N -2.44 2.54 -2.93 2.45 0.00 0.95 -4.88 120.51 116.20 2k4i n ALA 90 Ca -0.04 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 2k4i n ALA 90 Cb 0.90 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 19.43 2k4i n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4i n GLU 91 N 0.34 -3.26 -4.72 0.00 4.07 -0.43 -5.03 120.64 111.61 2k4i n GLU 91 Ca 0.10 0.64 -0.25 0.00 -0.06 0.00 0.00 57.16 57.58 2k4i n GLU 91 Cb 0.30 -4.86 -0.16 0.00 -0.06 0.00 0.00 31.44 26.66 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2k4i s GLU 92 N -4.51 1.76 -0.15 5.31 0.41 -0.28 -5.01 118.70 116.23 2k4i s GLU 92 Ca 0.17 -0.52 -0.05 0.00 -0.41 0.00 0.00 54.97 54.16 2k4i s GLU 92 Cb -0.02 -1.48 -0.04 0.00 -1.78 0.00 0.00 34.13 30.81 2k4i s GLU 92 CO 0.55 0.14 0.03 -1.59 -0.49 0.00 0.00 175.26 173.90 2k4i s LYS 93 N 0.32 3.60 0.02 1.61 -2.85 -1.26 -3.97 119.74 117.21 2k4i s LYS 93 Ca -0.09 -0.38 0.01 0.00 -1.00 0.00 0.00 55.97 54.50 2k4i s LYS 93 Cb -0.13 -3.03 -0.02 0.00 -2.06 0.00 0.00 37.83 32.59 2k4i s LYS 93 CO 0.03 0.42 -0.04 0.14 0.10 0.00 0.00 175.35 176.00 2k4i s VAL 94 N -0.08 0.28 0.04 1.79 -7.23 -1.26 -5.02 120.40 108.92 2k4i s VAL 94 Ca 0.05 -0.72 -0.16 0.00 -1.81 0.00 0.00 61.98 59.34 2k4i s VAL 94 Cb -0.12 -0.35 -0.23 0.00 0.56 0.00 0.00 36.38 36.23 2k4i s VAL 94 CO 0.02 -0.29 1.15 0.11 -0.31 0.00 0.00 175.10 175.77 2k4i h LYS 95 N 5.04 0.58 0.00 4.82 1.57 -1.97 -3.43 116.57 123.18 2k4i h LYS 95 Ca -0.31 -0.63 -0.31 0.00 -1.87 0.00 0.00 60.65 57.53 2k4i h LYS 95 Cb 1.20 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 33.62 2k4i h LYS 95 CO 0.44 1.24 -0.28 -0.40 -0.57 0.00 0.00 179.45 179.88 2k4i n ASP 96 N -4.00 0.33 -0.04 0.86 5.68 -1.26 -2.73 116.55 115.39 2k4i n ASP 96 Ca -0.11 -2.30 -0.17 0.00 -0.50 0.00 0.00 54.79 51.72 2k4i n ASP 96 Cb 0.80 0.81 -0.07 0.00 -1.14 0.00 0.00 41.12 41.52 2k4i n ASP 96 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2k4i h THR 97 N 1.52 1.29 -0.54 2.12 2.02 -1.63 -3.23 112.91 114.46 2k4i h THR 97 Ca -0.16 -1.88 0.10 0.00 0.77 0.00 0.00 66.41 65.23 2k4i h THR 97 Cb 0.72 1.95 -0.08 0.00 -1.74 0.00 0.00 68.15 69.00 2k4i h THR 97 CO 0.25 0.60 0.10 -0.33 0.37 0.00 0.00 175.52 176.51 2k4i h GLU 98 N 0.48 0.23 -0.98 6.66 4.39 -1.88 -0.22 114.58 123.26 2k4i h GLU 98 Ca -0.04 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.71 2k4i h GLU 98 Cb 1.30 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.84 2k4i h GLU 98 CO 0.14 0.15 0.63 0.78 -1.16 0.00 0.00 179.01 179.56 2k4i h GLY 99 N 0.24 1.45 1.67 -3.84 0.00 -1.98 -1.75 103.07 98.85 2k4i h GLY 99 Ca 0.28 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 2k4i h GLY 99 CO -0.37 0.36 -0.52 0.00 0.00 0.00 0.00 176.54 176.01 2k4i h ALA 100 N 1.46 0.88 0.00 3.60 0.00 -1.23 -2.48 119.26 121.49 2k4i h ALA 100 Ca 0.41 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k4i h ALA 100 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k4i h ALA 100 CO -0.15 0.67 -0.22 -0.22 0.00 0.00 0.00 179.25 179.33 2k4i h LYS 101 N 0.28 0.00 0.00 0.00 3.64 -0.22 -1.97 116.57 118.30 2k4i h LYS 101 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2k4i h LYS 101 Cb 1.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2k4i h LYS 101 CO 0.09 0.22 -0.00 1.96 -2.27 0.00 0.00 179.45 179.45 2k4i h GLN 102 N 0.00 0.00 -0.53 1.90 7.50 -1.24 -2.84 115.11 119.91 2k4i h GLN 102 Ca -0.00 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.24 2k4i h GLN 102 Cb 0.42 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.88 2k4i h GLN 102 CO 0.03 0.79 0.10 0.82 -1.50 0.00 0.00 178.83 179.07 2k4i h ILE 103 N -1.00 0.69 0.14 2.54 2.04 -1.39 -0.10 117.51 120.43 2k4i h ILE 103 Ca -0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2k4i h ILE 103 Cb 0.79 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2k4i h ILE 103 CO -0.00 0.04 -0.07 0.58 0.00 0.00 0.00 178.15 178.70 2k4i h VAL 104 N 0.23 0.92 -0.32 1.67 2.07 -1.50 -2.12 116.25 117.21 2k4i h VAL 104 Ca 0.27 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2k4i h VAL 104 Cb 0.37 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 2k4i h VAL 104 CO -0.35 0.06 -0.13 -0.09 0.02 0.00 0.00 177.57 177.08 2k4i h ARG 105 N -0.31 -0.07 -0.33 1.57 2.43 -1.18 -1.73 114.38 114.77 2k4i h ARG 105 Ca -0.02 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2k4i h ARG 105 Cb 0.24 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 2k4i h ARG 105 CO 0.03 -0.05 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.33 2k4i h ARG 106 N -0.07 0.06 -0.61 0.20 9.65 -0.95 -0.91 114.38 121.75 2k4i h ARG 106 Ca 0.16 -0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.12 2k4i h ARG 106 Cb 0.32 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 2k4i h ARG 106 CO -0.37 0.04 0.41 0.45 2.80 0.00 0.00 179.97 183.30 2k4i h HIS 107 N 0.06 0.51 0.17 2.20 3.86 -0.67 0.44 115.15 121.72 2k4i h HIS 107 Ca 0.16 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2k4i h HIS 107 Cb 0.23 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.53 2k4i h HIS 107 CO -0.26 0.25 -0.08 -0.07 0.86 0.00 0.00 177.93 178.63 2k4i h LEU 108 N 0.49 -0.19 -1.75 2.43 3.38 -0.37 -3.02 115.31 116.28 2k4i h LEU 108 Ca 0.28 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 58.01 2k4i h LEU 108 Cb 0.44 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2k4i h LEU 108 CO -0.08 0.37 0.35 0.58 0.09 0.00 0.00 178.44 179.75 2k4i h VAL 109 N -0.89 0.88 0.18 1.22 2.07 -1.01 -1.02 116.25 117.68 2k4i h VAL 109 Ca -0.02 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2k4i h VAL 109 Cb 0.51 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2k4i h VAL 109 CO 0.04 0.05 -0.09 0.00 0.02 0.00 0.00 177.57 177.59 2k4i h ALA 110 N 1.74 -0.25 -0.31 1.67 0.00 -0.95 0.24 119.26 121.40 2k4i h ALA 110 Ca 0.24 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2k4i h ALA 110 Cb 0.57 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2k4i h ALA 110 CO -0.05 -0.56 -0.08 0.93 0.00 0.00 0.00 179.25 179.48 2k4i h GLU 111 N -0.40 0.51 -0.84 0.00 5.08 -1.27 -2.64 114.58 115.03 2k4i h GLU 111 Ca -0.03 -0.13 -0.48 0.00 -1.00 0.00 0.00 59.36 57.72 2k4i h GLU 111 Cb 0.31 -0.06 -0.27 0.00 0.50 0.00 0.00 28.75 29.23 2k4i h GLU 111 CO 0.04 0.60 0.46 2.41 -1.00 0.00 0.00 179.01 181.52 2k4i n THR 112 N -4.23 3.12 -2.16 1.13 -1.04 -0.44 -4.33 114.28 106.33 2k4i n THR 112 Ca 0.01 -2.45 0.02 0.00 -2.04 0.00 0.00 64.05 59.59 2k4i n THR 112 Cb 0.30 -0.62 0.02 0.00 -1.82 0.00 0.00 70.33 68.20 2k4i n THR 112 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4i n GLY 113 N -1.07 0.96 0.80 3.41 0.00 0.82 -4.79 105.19 105.31 2k4i n GLY 113 Ca 0.54 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 46.20 2k4i n GLY 113 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k4i n THR 114 N 0.12 1.04 -2.23 2.61 5.66 -1.25 -4.62 114.28 115.62 2k4i n THR 114 Ca 0.03 -1.79 -0.00 0.00 -3.05 0.00 0.00 64.05 59.24 2k4i n THR 114 Cb 0.88 0.30 0.01 0.00 -1.55 0.00 0.00 70.33 69.96 2k4i n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4i n ALA 115 N -0.44 -1.39 0.00 1.79 0.00 -1.26 -5.00 120.51 114.20 2k4i n ALA 115 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k4i n ALA 115 Cb 0.84 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2k4i n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4i n GLU 116 N -0.10 0.00 -2.71 0.00 4.07 -1.26 -5.02 120.64 115.62 2k4i n GLU 116 Ca -0.02 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.01 2k4i n GLU 116 Cb 0.46 -0.10 0.10 0.00 -0.06 0.00 0.00 31.44 31.84 2k4i n GLU 116 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2k4i n LYS 117 N -2.30 0.74 -1.04 5.31 2.85 -1.26 -5.16 118.16 117.32 2k4i n LYS 117 Ca 0.00 -1.53 -0.31 0.00 -1.05 0.00 0.00 58.31 55.41 2k4i n LYS 117 Cb 0.00 -0.73 0.12 0.00 -0.65 0.00 0.00 35.03 33.78 2k4i n LYS 117 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2k4i s MET 118 N 0.19 1.69 0.96 -1.58 -1.94 -1.26 -5.01 119.30 112.34 2k4i s MET 118 Ca 0.21 1.42 -0.12 0.00 -1.71 0.00 0.00 55.69 55.49 2k4i s MET 118 Cb 0.29 -1.81 0.16 0.00 2.01 0.00 0.00 34.83 35.48 2k4i s MET 118 CO -0.10 -2.11 1.09 -1.25 -0.01 0.00 0.00 175.02 172.64 2k4i s PRO 119 N -4.64 0.78 0.48 2.03 0.04 -1.26 -5.06 135.00 127.36 2k4i s PRO 119 Ca 0.65 0.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 2k4i s PRO 119 Cb -0.21 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2k4i s PRO 119 CO 0.55 -2.52 0.71 -1.54 0.04 0.00 0.00 177.00 174.24 2k4i s SER 120 N -3.45 5.75 -0.10 6.66 1.04 -1.26 -5.09 113.70 117.24 2k4i s SER 120 Ca 0.64 0.32 -0.09 0.00 0.48 0.00 0.00 55.95 57.30 2k4i s SER 120 Cb -0.18 -1.49 -0.04 0.00 0.10 0.00 0.00 66.02 64.40 2k4i s SER 120 CO 0.57 -0.79 0.21 0.42 0.98 0.00 0.00 173.24 174.63 2k4i s THR 121 N -2.64 5.38 -0.20 2.02 -4.23 -1.26 -4.96 115.64 109.76 2k4i s THR 121 Ca 0.50 0.37 0.08 0.00 -1.18 0.00 0.00 61.69 61.46 2k4i s THR 121 Cb -0.10 -3.49 0.24 0.00 1.34 0.00 0.00 72.50 70.49 2k4i s THR 121 CO 0.39 0.58 1.17 -0.24 -0.54 0.00 0.00 174.62 175.98 2k4i n SER 122 N 2.19 -1.03 -3.08 3.99 2.88 -1.26 -5.05 113.62 112.26 2k4i n SER 122 Ca -0.18 -1.83 -0.16 0.00 -1.33 0.00 0.00 58.87 55.37 2k4i n SER 122 Cb 0.54 0.45 -0.04 0.00 -0.75 0.00 0.00 64.21 64.41 2k4i n SER 122 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2k4i n ARG 123 N -0.91 0.42 0.19 -1.46 1.85 -1.26 -4.98 116.66 110.51 2k4i n ARG 123 Ca -0.15 -2.63 0.04 0.00 -1.00 0.00 0.00 57.85 54.11 2k4i n ARG 123 Cb 0.74 -1.53 0.37 0.00 -1.05 0.00 0.00 32.46 30.99 2k4i n ARG 123 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2k4i h PRO 124 N 5.09 0.00 -1.71 2.89 0.13 -2.05 -3.45 132.00 132.91 2k4i h PRO 124 Ca 0.14 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.30 2k4i h PRO 124 Cb 0.99 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.90 2k4i h PRO 124 CO 0.24 0.38 0.41 -0.08 -0.23 0.00 0.00 178.00 178.72 2k4i s THR 125 N -3.86 0.00 0.03 1.56 -1.32 -1.26 -5.18 115.64 105.60 2k4i s THR 125 Ca -0.01 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.43 2k4i s THR 125 Cb 0.13 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.10 2k4i s THR 125 CO 0.70 0.00 0.04 0.00 -2.21 0.00 0.00 174.62 173.15 2k4i s ALA 126 N -0.77 0.03 1.16 11.08 0.00 -1.26 -5.17 121.76 126.83 2k4i s ALA 126 Ca -0.03 -0.58 -0.18 0.00 0.00 0.00 0.00 51.96 51.17 2k4i s ALA 126 Cb -0.02 0.20 0.27 0.00 0.00 0.00 0.00 23.12 23.57 2k4i s ALA 126 CO 0.02 -0.25 1.10 -1.25 0.00 0.00 0.00 175.76 175.38 2k4i s PRO 127 N -2.18 -0.87 0.52 0.00 0.04 -1.26 -5.08 135.00 126.18 2k4i s PRO 127 Ca -0.09 0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.10 2k4i s PRO 127 Cb -0.04 -1.63 0.05 0.00 0.04 0.00 0.00 34.50 32.92 2k4i s PRO 127 CO -0.03 -3.50 0.60 -1.54 0.04 0.00 0.00 177.00 172.56 2k4i s SER 128 N -3.78 5.03 -0.02 6.66 1.04 -1.26 -5.15 113.70 116.22 2k4i s SER 128 Ca 0.70 -0.90 -0.29 0.00 0.48 0.00 0.00 55.95 55.94 2k4i s SER 128 Cb -0.12 0.09 0.09 0.00 0.10 0.00 0.00 66.02 66.19 2k4i s SER 128 CO 0.56 -1.11 0.80 -0.94 0.98 0.00 0.00 173.24 173.54 2k4i s SER 129 N -4.44 -0.48 0.13 7.02 1.04 -1.26 -5.19 113.70 110.52 2k4i s SER 129 Ca 0.51 0.28 -0.25 0.00 0.48 0.00 0.00 55.95 56.98 2k4i s SER 129 Cb -0.05 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.59 2k4i s SER 129 CO 0.32 -0.62 0.80 -1.61 0.98 0.00 0.00 173.24 173.10 2k4i s GLU 130 N -2.26 1.22 -0.33 4.02 2.02 -1.26 -5.07 118.70 117.04 2k4i s GLU 130 Ca -0.02 -0.57 -0.04 0.00 0.02 0.00 0.00 54.97 54.37 2k4i s GLU 130 Cb -0.01 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.72 2k4i s GLU 130 CO -0.02 -0.55 0.13 1.17 0.02 0.00 0.00 175.26 176.01 2k4i n LYS 131 N -0.38 -3.26 0.00 1.61 4.81 -1.26 -5.06 118.16 114.62 2k4i n LYS 131 Ca -0.09 2.65 0.00 0.00 -0.87 0.00 0.00 58.31 60.00 2k4i n LYS 131 Cb 0.62 -5.45 0.00 0.00 0.02 0.00 0.00 35.03 30.22 2k4i n LYS 131 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k4i n GLY 132 N 0.49 0.40 3.15 3.14 0.00 -1.26 -5.16 105.19 105.95 2k4i n GLY 132 Ca 0.03 0.61 0.05 0.00 0.00 0.00 0.00 46.02 46.70 2k4i n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4i s GLY 133 N 0.00 -0.47 0.25 -0.02 0.00 -1.26 -5.18 107.32 100.64 2k4i s GLY 133 Ca 0.00 2.60 -0.12 0.00 0.00 0.00 0.00 44.72 47.20 2k4i s GLY 133 CO 0.00 3.79 0.47 -1.31 0.00 0.00 0.00 173.10 176.05 2k4i s ASN 134 N 2.94 -0.02 0.00 1.64 -0.87 -1.26 -5.33 114.94 112.04 2k4i s ASN 134 Ca 0.04 -0.99 0.00 0.00 -1.57 0.00 0.00 52.86 50.34 2k4i s ASN 134 Cb -0.10 0.58 0.00 0.00 -0.02 0.00 0.00 41.25 41.71 2k4i s ASN 134 CO -0.13 -1.14 0.00 0.00 -2.57 0.00 0.00 177.10 173.25