#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 0.16 0.17 4.61 0.00 -1.26 -5.03 120.51 119.16 2k4i n ALA 3 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2k4i n ALA 3 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2k4i n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2k4i n ARG 4 N -3.03 0.00 0.03 0.00 0.63 -1.26 -5.07 116.66 107.95 2k4i n ARG 4 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 2k4i n ARG 4 Cb 0.10 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.01 2k4i n ARG 4 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2k4i n ASN 5 N -3.49 -0.44 -4.49 6.15 2.85 -1.26 -5.14 115.26 109.44 2k4i n ASN 5 Ca 0.00 0.11 -0.25 0.00 -0.11 0.00 0.00 54.58 54.33 2k4i n ASN 5 Cb 0.00 0.74 -0.10 0.00 1.24 0.00 0.00 39.78 41.65 2k4i n ASN 5 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2k4i s SER 6 N -2.79 3.72 0.06 1.20 0.01 -1.26 -5.05 113.70 109.60 2k4i s SER 6 Ca 0.00 -0.88 -0.00 0.00 1.31 0.00 0.00 55.95 56.37 2k4i s SER 6 Cb 0.00 -0.40 -0.00 0.00 0.21 0.00 0.00 66.02 65.83 2k4i s SER 6 CO 0.00 0.07 -0.00 0.52 0.41 0.00 0.00 173.24 174.24 2k4i n VAL 7 N -0.30 0.81 -1.21 3.43 0.31 -1.26 -4.90 118.33 115.21 2k4i n VAL 7 Ca -0.08 0.26 -0.30 0.00 -0.01 0.00 0.00 64.34 64.21 2k4i n VAL 7 Cb 0.58 -1.56 0.24 0.00 -0.91 0.00 0.00 33.84 32.18 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 -6.66 0.97 0.00 7.52 1.43 -1.26 -5.05 118.68 115.63 2k4i s LEU 8 Ca -0.00 0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 53.47 2k4i s LEU 8 Cb 0.00 -2.27 0.23 0.00 0.03 0.00 0.00 46.19 44.17 2k4i s LEU 8 CO 0.00 -3.98 0.87 0.54 0.23 0.00 0.00 176.35 174.02 2k4i n ARG 9 N -4.65 -2.41 0.08 1.70 5.12 -1.26 -4.72 116.66 110.52 2k4i n ARG 9 Ca 0.14 -1.39 -0.12 0.00 -1.93 0.00 0.00 57.85 54.55 2k4i n ARG 9 Cb 0.60 -1.23 -0.08 0.00 -1.16 0.00 0.00 32.46 30.58 2k4i n ARG 9 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2k4i h GLY 10 N -2.08 -0.25 0.74 -0.13 0.00 -1.98 -1.02 103.07 98.34 2k4i h GLY 10 Ca -0.32 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.19 2k4i h GLY 10 CO 0.21 -0.09 0.58 0.50 0.00 0.00 0.00 176.54 177.75 2k4i h LYS 11 N -0.72 0.91 0.46 4.80 1.79 -1.98 0.79 116.57 122.61 2k4i h LYS 11 Ca -0.02 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2k4i h LYS 11 Cb 0.50 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2k4i h LYS 11 CO 0.04 0.60 -0.22 0.87 -1.08 0.00 0.00 179.45 179.66 2k4i h LYS 12 N 0.94 -0.59 -0.91 3.15 6.56 -1.92 -3.21 116.57 120.58 2k4i h LYS 12 Ca 0.41 0.04 0.17 0.00 -1.06 0.00 0.00 60.65 60.21 2k4i h LYS 12 Cb 0.35 0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 32.07 2k4i h LYS 12 CO -0.17 -0.31 0.59 0.00 -2.06 0.00 0.00 179.45 177.49 2k4i h ALA 13 N -0.89 1.91 0.00 3.86 0.00 -0.96 0.37 119.26 123.54 2k4i h ALA 13 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k4i h ALA 13 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k4i h ALA 13 CO 0.10 -0.18 0.03 0.22 0.00 0.00 0.00 179.25 179.42 2k4i h ASP 14 N 0.63 0.00 0.11 0.00 3.58 -0.84 -0.34 116.42 119.56 2k4i h ASP 14 Ca 0.47 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.56 2k4i h ASP 14 Cb 0.87 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 2k4i h ASP 14 CO -0.22 0.00 -2.03 -0.62 -2.88 0.00 0.00 179.24 173.49 2k4i n GLU 15 N -2.74 0.75 -0.05 0.28 1.02 0.13 -3.53 120.64 116.49 2k4i n GLU 15 Ca -0.02 0.26 -0.12 0.00 -0.02 0.00 0.00 57.16 57.25 2k4i n GLU 15 Cb 0.08 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.75 2k4i n GLU 15 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k4i h LEU 16 N 0.04 0.30 -0.12 -4.62 7.12 -1.06 -1.94 115.31 115.02 2k4i h LEU 16 Ca -0.44 -0.39 0.00 0.00 0.13 0.00 0.00 57.88 57.18 2k4i h LEU 16 Cb 2.00 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 42.05 2k4i h LEU 16 CO 0.06 0.62 0.00 -0.62 -0.13 0.00 0.00 178.44 178.38 2k4i n GLU 17 N -4.68 0.03 -0.01 1.25 -0.58 -0.22 -2.75 120.64 113.68 2k4i n GLU 17 Ca -0.06 0.29 -0.22 0.00 -0.42 0.00 0.00 57.16 56.76 2k4i n GLU 17 Cb 0.27 -1.56 -0.14 0.00 -0.57 0.00 0.00 31.44 29.44 2k4i n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k4i h ARG 18 N 0.00 0.22 -6.79 3.49 2.47 -1.52 -3.41 114.38 108.84 2k4i h ARG 18 Ca 0.00 -0.38 -0.53 0.00 -1.26 0.00 0.00 59.98 57.81 2k4i h ARG 18 Cb 0.26 0.14 0.07 0.00 -1.65 0.00 0.00 29.97 28.79 2k4i h ARG 18 CO 0.00 1.18 0.82 0.42 0.56 0.00 0.00 179.97 182.95 2k4i s ILE 19 N -2.50 2.33 0.45 2.04 1.01 -0.76 -4.84 121.20 118.92 2k4i s ILE 19 Ca -0.22 0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2k4i s ILE 19 Cb 0.06 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.36 2k4i s ILE 19 CO 0.74 0.05 0.65 -0.60 0.00 0.00 0.00 174.94 175.78 2k4i s ARG 20 N -0.60 2.92 0.06 2.79 3.00 -0.58 -1.11 118.95 125.44 2k4i s ARG 20 Ca 0.60 -0.73 -0.01 0.00 -1.00 0.00 0.00 55.73 54.59 2k4i s ARG 20 Cb -0.45 -2.61 -0.27 0.00 0.00 0.00 0.00 34.95 31.63 2k4i s ARG 20 CO 0.47 -0.32 1.09 -0.07 0.00 0.00 0.00 175.30 176.47 2k4i h LEU 21 N 0.43 0.31 -7.46 -0.88 3.38 -1.75 -1.72 115.31 107.63 2k4i h LEU 21 Ca -0.44 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.05 2k4i h LEU 21 Cb 1.27 -0.10 -0.20 0.00 0.09 0.00 0.00 40.66 41.71 2k4i h LEU 21 CO 0.54 1.29 -0.23 -0.13 0.09 0.00 0.00 178.44 179.99 2k4i s ARG 22 N -2.66 0.68 0.35 1.13 0.52 -1.26 -4.18 118.95 113.54 2k4i s ARG 22 Ca -0.04 -0.10 0.14 0.00 -0.52 0.00 0.00 55.73 55.21 2k4i s ARG 22 Cb 0.08 0.31 0.65 0.00 0.52 0.00 0.00 34.95 36.50 2k4i s ARG 22 CO 0.86 -0.19 1.76 -1.00 0.02 0.00 0.00 175.30 176.75 2k4i h PRO 23 N 3.92 0.00 0.00 3.54 0.13 -1.96 -2.86 132.00 134.76 2k4i h PRO 23 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2k4i h PRO 23 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k4i h PRO 23 CO 0.39 0.43 -0.04 0.78 -0.23 0.00 0.00 178.00 179.33 2k4i h GLY 24 N 1.53 0.00 0.00 1.56 0.00 -2.03 -3.45 103.07 100.69 2k4i h GLY 24 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k4i h GLY 24 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 2k4i n GLY 25 N -0.08 6.60 0.98 4.60 0.00 -1.08 -5.08 105.19 111.14 2k4i n GLY 25 Ca 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.01 0.00 -2.84 1.61 4.76 -1.26 -4.84 118.16 115.58 2k4i n LYS 26 Ca 0.00 -1.41 -0.43 0.00 -2.87 0.00 0.00 58.31 53.60 2k4i n LYS 26 Cb 0.00 -0.19 -0.04 0.00 -1.84 0.00 0.00 35.03 32.96 2k4i n LYS 26 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2k4i s LYS 27 N 0.00 3.22 1.00 1.97 2.20 -1.26 -5.00 119.74 121.87 2k4i s LYS 27 Ca 0.16 -0.98 -0.11 0.00 -0.36 0.00 0.00 55.97 54.68 2k4i s LYS 27 Cb 0.18 -4.40 0.19 0.00 -1.51 0.00 0.00 37.83 32.29 2k4i s LYS 27 CO -0.08 -1.84 1.09 1.63 -0.36 0.00 0.00 175.35 175.79 2k4i n LYS 28 N 7.64 -1.12 -1.94 4.03 5.02 -1.26 -2.30 118.16 128.23 2k4i n LYS 28 Ca 0.03 -0.27 -0.40 0.00 -2.02 0.00 0.00 58.31 55.65 2k4i n LYS 28 Cb 0.46 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 2k4i n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2k4i s TYR 29 N -2.56 2.69 0.00 2.13 2.02 -0.27 -4.73 117.35 116.64 2k4i s TYR 29 Ca 0.67 1.32 0.00 0.00 -0.37 0.00 0.00 57.07 58.69 2k4i s TYR 29 Cb -0.24 -3.81 0.00 0.00 -0.40 0.00 0.00 41.96 37.51 2k4i s TYR 29 CO 0.61 -2.49 0.00 -2.13 -1.57 0.00 0.00 175.55 169.97 2k4i n ARG 30 N 0.18 3.87 -0.10 -0.62 0.63 -1.26 -4.61 116.66 114.75 2k4i n ARG 30 Ca 0.03 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.85 2k4i n ARG 30 Cb 0.42 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.18 2k4i n ARG 30 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2k4i n LEU 31 N 0.00 0.39 -0.33 6.15 4.32 -1.26 -4.39 117.00 121.87 2k4i n LEU 31 Ca 0.00 -0.02 0.01 0.00 -0.02 0.00 0.00 56.01 55.99 2k4i n LEU 31 Cb 0.00 0.31 0.19 0.00 -1.62 0.00 0.00 43.42 42.30 2k4i n LEU 31 CO 0.00 0.55 1.27 0.11 -1.22 0.00 0.00 177.39 178.10 2k4i h LYS 32 N 0.00 1.13 -0.54 3.23 1.79 -1.98 -1.97 116.57 118.22 2k4i h LYS 32 Ca -0.55 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 57.85 2k4i h LYS 32 Cb 2.19 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 32.55 2k4i h LYS 32 CO 0.01 0.75 0.33 0.45 -1.08 0.00 0.00 179.45 179.91 2k4i h HIS 33 N 1.16 0.71 0.13 -1.35 3.86 -1.98 0.35 115.15 118.02 2k4i h HIS 33 Ca 0.38 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.58 2k4i h HIS 33 Cb 0.04 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.28 2k4i h HIS 33 CO -0.00 0.49 -0.06 0.82 0.86 0.00 0.00 177.93 180.03 2k4i h ILE 34 N 0.72 1.02 -0.85 2.45 2.04 -1.64 -1.08 117.51 120.18 2k4i h ILE 34 Ca 0.19 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2k4i h ILE 34 Cb -0.02 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2k4i h ILE 34 CO -0.04 0.16 0.54 0.58 0.00 0.00 0.00 178.15 179.39 2k4i h VAL 35 N -0.49 1.23 0.00 1.67 2.07 -1.30 -1.48 116.25 117.95 2k4i h VAL 35 Ca -0.02 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 2k4i h VAL 35 Cb 0.39 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2k4i h VAL 35 CO 0.03 0.23 -0.40 -0.25 0.02 0.00 0.00 177.57 177.20 2k4i h TRP 36 N 1.16 0.00 -0.04 1.57 7.01 -0.25 -2.35 115.95 123.05 2k4i h TRP 36 Ca 0.31 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.29 2k4i h TRP 36 Cb -0.09 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 26.97 2k4i h TRP 36 CO 0.00 0.40 -0.05 0.00 -2.79 0.00 0.00 178.44 176.00 2k4i h ALA 37 N 1.60 0.05 -0.79 2.65 0.00 -0.17 -1.11 119.26 121.49 2k4i h ALA 37 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2k4i h ALA 37 Cb 0.80 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2k4i h ALA 37 CO 0.05 -0.14 0.32 0.00 0.00 0.00 0.00 179.25 179.48 2k4i h ALA 38 N 0.49 1.03 -0.13 0.00 0.00 -1.37 -1.81 119.26 117.47 2k4i h ALA 38 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2k4i h ALA 38 Cb 0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k4i h ALA 38 CO 0.01 0.65 -0.45 -0.91 0.00 0.00 0.00 179.25 178.55 2k4i h ASN 39 N 1.15 0.33 -0.10 0.00 2.35 -1.46 -2.92 115.58 114.93 2k4i h ASN 39 Ca 0.26 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 2k4i h ASN 39 Cb 0.21 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2k4i h ASN 39 CO -0.02 0.74 -0.35 0.50 -1.65 0.00 0.00 177.43 176.64 2k4i h LYS 40 N 0.25 0.60 0.34 0.81 1.63 -0.79 -2.98 116.57 116.43 2k4i h LYS 40 Ca 0.02 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.52 2k4i h LYS 40 Cb 0.89 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 2k4i h LYS 40 CO 0.07 0.87 -0.16 -0.07 -3.45 0.00 0.00 179.45 176.71 2k4i h LEU 41 N 0.51 -0.38 -0.76 5.20 3.38 -1.19 -1.62 115.31 120.45 2k4i h LEU 41 Ca 0.05 -0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.09 2k4i h LEU 41 Cb 0.85 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 2k4i h LEU 41 CO 0.07 -0.13 0.24 0.44 0.09 0.00 0.00 178.44 179.15 2k4i h ASP 42 N -0.63 0.13 0.67 -0.43 5.19 -1.02 0.42 116.42 120.75 2k4i h ASP 42 Ca -0.05 0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 2k4i h ASP 42 Cb 0.45 0.15 0.01 0.00 0.18 0.00 0.00 39.33 40.12 2k4i h ASP 42 CO 0.08 0.01 -0.32 -0.09 -3.12 0.00 0.00 179.24 175.80 2k4i h ARG 43 N 0.34 -0.86 -0.74 3.56 1.12 -1.41 -3.14 114.38 113.24 2k4i h ARG 43 Ca 0.43 0.06 0.16 0.00 -1.11 0.00 0.00 59.98 59.52 2k4i h ARG 43 Cb 0.71 0.20 -0.11 0.00 -0.01 0.00 0.00 29.97 30.76 2k4i h ARG 43 CO -0.48 -0.58 0.17 0.74 -3.11 0.00 0.00 179.97 176.72 2k4i h PHE 44 N -0.98 0.26 0.00 2.20 0.04 -0.91 -3.45 116.94 114.10 2k4i h PHE 44 Ca -0.09 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2k4i h PHE 44 Cb 0.69 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.84 2k4i h PHE 44 CO 0.05 -0.10 0.00 0.41 -0.60 0.00 0.00 178.31 178.08 2k4i n GLY 45 N -1.36 0.22 3.92 -1.45 0.00 0.66 -5.10 105.19 102.07 2k4i n GLY 45 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 3.61 0.36 0.99 1.43 0.12 -4.90 118.68 120.29 2k4i s LEU 46 Ca 0.00 0.76 0.07 0.00 -1.03 0.00 0.00 54.13 53.93 2k4i s LEU 46 Cb 0.00 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 2k4i s LEU 46 CO 0.00 -0.64 0.44 0.00 0.23 0.00 0.00 176.35 176.38 2k4i s ALA 47 N -2.71 4.20 -0.90 4.21 0.00 -1.26 -1.31 121.76 123.98 2k4i s ALA 47 Ca 0.48 -1.58 0.26 0.00 0.00 0.00 0.00 51.96 51.11 2k4i s ALA 47 Cb -0.10 -1.50 0.68 0.00 0.00 0.00 0.00 23.12 22.20 2k4i s ALA 47 CO 0.43 -0.09 1.55 -0.85 0.00 0.00 0.00 175.76 176.80 2k4i n GLU 48 N -1.62 0.08 0.06 0.00 0.28 -1.26 -3.64 120.64 114.55 2k4i n GLU 48 Ca 0.02 0.03 0.08 0.00 -0.16 0.00 0.00 57.16 57.13 2k4i n GLU 48 Cb 0.59 -1.56 0.36 0.00 1.43 0.00 0.00 31.44 32.25 2k4i n GLU 48 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k4i n SER 49 N -1.69 0.28 -1.23 -1.84 7.64 -1.26 -1.68 113.62 113.84 2k4i n SER 49 Ca 0.05 0.58 0.06 0.00 1.01 0.00 0.00 58.87 60.58 2k4i n SER 49 Cb 0.37 -0.64 0.25 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.83 3.58 -0.00 -3.43 4.77 -1.24 -3.81 117.00 115.04 2k4i n LEU 50 Ca 0.02 -1.81 0.07 0.00 -0.03 0.00 0.00 56.01 54.27 2k4i n LEU 50 Cb 0.15 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 2k4i n LEU 50 CO 0.13 0.58 -0.44 0.18 -1.33 0.00 0.00 177.39 176.51 2k4i n LEU 51 N 0.67 0.26 -1.65 2.23 4.77 -0.68 -2.23 117.00 120.37 2k4i n LEU 51 Ca 0.18 -0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2k4i n LEU 51 Cb 0.69 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 42.01 2k4i n LEU 51 CO 0.18 0.07 0.95 -1.84 -1.33 0.00 0.00 177.39 175.42 2k4i n GLU 52 N -1.78 2.57 -3.66 3.23 0.28 -1.25 -4.90 120.64 115.14 2k4i n GLU 52 Ca -0.01 -3.07 -0.06 0.00 -0.16 0.00 0.00 57.16 53.86 2k4i n GLU 52 Cb 0.34 -2.03 -0.08 0.00 1.43 0.00 0.00 31.44 31.10 2k4i n GLU 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k4i s SER 53 N -1.73 -0.70 0.34 -1.84 1.04 -1.26 -5.03 113.70 104.51 2k4i s SER 53 Ca 0.51 1.24 0.02 0.00 0.48 0.00 0.00 55.95 58.21 2k4i s SER 53 Cb 0.43 1.51 0.63 0.00 0.10 0.00 0.00 66.02 68.68 2k4i s SER 53 CO 0.08 -0.22 1.98 0.07 0.98 0.00 0.00 173.24 176.12 2k4i h LYS 54 N 7.67 0.86 -0.25 4.02 2.10 -1.90 -1.11 116.57 127.96 2k4i h LYS 54 Ca -0.24 -0.05 -0.08 0.00 -2.00 0.00 0.00 60.65 58.29 2k4i h LYS 54 Cb 1.15 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 2k4i h LYS 54 CO 0.16 0.57 -0.17 1.49 -2.00 0.00 0.00 179.45 179.49 2k4i h GLU 55 N 0.89 0.44 -0.01 0.07 4.22 -1.96 -2.62 114.58 115.61 2k4i h GLU 55 Ca 0.28 -0.14 -0.03 0.00 0.08 0.00 0.00 59.36 59.55 2k4i h GLU 55 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k4i h GLU 55 CO -0.08 0.61 -0.11 0.78 -2.18 0.00 0.00 179.01 178.03 2k4i h GLY 56 N 0.95 0.11 1.68 1.92 0.00 -1.52 -3.20 103.07 103.00 2k4i h GLY 56 Ca 0.07 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.27 2k4i h GLY 56 CO 0.04 0.15 0.13 0.00 0.00 0.00 0.00 176.54 176.85 2k4i h GLN 58 N 0.00 0.19 0.00 0.00 4.15 -1.46 -1.81 115.11 116.18 2k4i h GLN 58 Ca 0.05 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2k4i h GLN 58 Cb 0.31 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2k4i h GLN 58 CO -0.00 0.55 0.00 0.87 -1.93 0.00 0.00 178.83 178.32 2k4i h LYS 59 N 0.17 0.00 0.05 1.69 1.79 -1.06 -2.84 116.57 116.37 2k4i h LYS 59 Ca 0.02 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.25 2k4i h LYS 59 Cb 0.75 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 2k4i h LYS 59 CO 0.06 0.00 -1.25 0.82 -1.08 0.00 0.00 179.45 178.00 2k4i h ILE 60 N 0.00 1.03 -0.02 1.86 2.04 -1.38 -3.35 117.51 117.69 2k4i h ILE 60 Ca 0.00 -2.29 -0.01 0.00 1.00 0.00 0.00 64.86 63.55 2k4i h ILE 60 Cb 0.70 2.56 -0.00 0.00 -0.74 0.00 0.00 36.82 39.34 2k4i h ILE 60 CO 0.00 0.55 -0.05 -0.07 0.00 0.00 0.00 178.15 178.58 2k4i h LEU 61 N -0.64 0.02 -1.60 1.44 3.38 -1.39 0.12 115.31 116.64 2k4i h LEU 61 Ca -0.30 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2k4i h LEU 61 Cb 1.51 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2k4i h LEU 61 CO -0.06 0.08 -0.21 0.00 0.09 0.00 0.00 178.44 178.33 2k4i h THR 62 N 0.03 0.88 0.06 0.22 1.03 -1.64 0.31 112.91 113.79 2k4i h THR 62 Ca 0.01 -0.82 -0.36 0.00 -0.01 0.00 0.00 66.41 65.23 2k4i h THR 62 Cb 0.10 1.48 -0.04 0.00 -1.07 0.00 0.00 68.15 68.62 2k4i h THR 62 CO 0.01 0.21 -2.10 0.52 -0.01 0.00 0.00 175.52 174.14 2k4i n VAL 63 N -3.88 1.65 0.18 0.00 0.31 -0.44 -4.21 118.33 111.93 2k4i n VAL 63 Ca -0.02 -0.68 0.06 0.00 -0.01 0.00 0.00 64.34 63.69 2k4i n VAL 63 Cb 0.30 -1.42 0.23 0.00 -0.91 0.00 0.00 33.84 32.04 2k4i n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2k4i h LEU 64 N 0.04 0.00 0.57 7.52 3.38 -0.93 -3.12 115.31 122.77 2k4i h LEU 64 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 2k4i h LEU 64 Cb 2.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 2k4i h LEU 64 CO 0.04 0.38 -0.39 0.44 0.09 0.00 0.00 178.44 179.00 2k4i h ASP 65 N 0.00 -1.00 0.36 -0.43 3.32 -0.56 0.39 116.42 118.50 2k4i h ASP 65 Ca -0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2k4i h ASP 65 Cb 1.07 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2k4i h ASP 65 CO 0.05 -0.58 0.00 -0.81 -1.72 0.00 0.00 179.24 176.18 2k4i n PRO 66 N -4.83 0.13 -0.00 3.56 -0.04 -1.25 -1.93 135.00 130.64 2k4i n PRO 66 Ca -0.11 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 2k4i n PRO 66 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 2k4i n PRO 66 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2k4i n MET 67 N -1.37 1.02 -0.09 0.54 2.81 -0.90 -4.43 117.12 114.70 2k4i n MET 67 Ca 0.06 -0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 55.81 2k4i n MET 67 Cb 0.14 -1.36 -0.07 0.00 -0.71 0.00 0.00 33.22 31.22 2k4i n MET 67 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2k4i h VAL 68 N 0.00 0.06 -0.34 2.03 2.07 0.45 0.40 116.25 120.91 2k4i h VAL 68 Ca 0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 2k4i h VAL 68 Cb 0.45 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2k4i h VAL 68 CO 0.00 0.00 -0.33 1.55 0.02 0.00 0.00 177.57 178.81 2k4i h PRO 69 N -0.42 0.82 -1.08 1.57 0.13 -1.81 -3.08 132.00 128.13 2k4i h PRO 69 Ca 0.09 -0.43 -0.27 0.00 -0.87 0.00 0.00 66.00 64.52 2k4i h PRO 69 Cb 0.62 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.61 2k4i h PRO 69 CO -0.54 1.07 0.34 2.41 -0.23 0.00 0.00 178.00 181.05 2k4i n THR 70 N -4.17 2.21 -3.76 1.56 -1.04 -0.93 -4.82 114.28 103.33 2k4i n THR 70 Ca -0.03 -1.07 -0.14 0.00 -2.04 0.00 0.00 64.05 60.77 2k4i n THR 70 Cb 0.51 -0.84 -0.15 0.00 -1.82 0.00 0.00 70.33 68.03 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 -0.09 -0.01 1.35 3.41 0.00 0.14 -4.93 107.32 107.18 2k4i s GLY 71 Ca 0.29 0.60 -0.19 0.00 0.00 0.00 0.00 44.72 45.42 2k4i s GLY 71 CO 0.04 0.91 0.95 -1.35 0.00 0.00 0.00 173.10 173.66 2k4i s SER 72 N 1.09 -0.49 0.59 1.64 1.04 -1.26 -4.28 113.70 112.04 2k4i s SER 72 Ca -0.09 1.10 0.29 0.00 0.48 0.00 0.00 55.95 57.74 2k4i s SER 72 Cb -0.11 -1.64 1.65 0.00 0.10 0.00 0.00 66.02 66.02 2k4i s SER 72 CO -0.05 -5.05 2.07 1.05 0.98 0.00 0.00 173.24 172.24 2k4i h GLU 73 N -3.20 0.00 0.00 4.02 4.11 -1.97 0.14 114.58 117.68 2k4i h GLU 73 Ca -0.51 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.87 2k4i h GLU 73 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2k4i h GLU 73 CO 0.36 0.00 -0.25 -0.91 0.07 0.00 0.00 179.01 178.29 2k4i h ASN 74 N 0.00 0.00 0.00 3.06 2.35 -2.00 -1.60 115.58 117.38 2k4i h ASN 74 Ca 0.10 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.62 2k4i h ASN 74 Cb 0.59 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 2k4i h ASN 74 CO -0.00 0.25 -1.51 -0.11 -1.65 0.00 0.00 177.43 174.40 2k4i n LEU 75 N -4.18 1.90 -0.21 1.61 0.00 0.37 -4.28 117.00 112.20 2k4i n LEU 75 Ca -0.02 0.42 0.26 0.00 0.00 0.00 0.00 56.01 56.66 2k4i n LEU 75 Cb 0.30 -0.86 0.65 0.00 0.00 0.00 0.00 43.42 43.52 2k4i n LEU 75 CO 0.37 0.14 1.25 0.50 0.00 0.00 0.00 177.39 179.65 2k4i h LYS 76 N -1.00 0.13 -0.39 1.96 3.64 -1.28 0.21 116.57 119.84 2k4i h LYS 76 Ca -0.34 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.04 2k4i h LYS 76 Cb 1.21 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2k4i h LYS 76 CO -0.21 0.09 0.23 0.77 -2.27 0.00 0.00 179.45 178.06 2k4i h SER 77 N 0.13 0.39 -0.70 4.20 0.02 -1.48 -2.23 113.55 113.88 2k4i h SER 77 Ca 0.46 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.37 2k4i h SER 77 Cb 1.58 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 64.00 2k4i h SER 77 CO -0.07 0.28 0.29 0.25 -1.14 0.00 0.00 176.83 176.43 2k4i h LEU 78 N 0.48 0.98 -0.79 5.07 5.85 -1.14 -2.61 115.31 123.15 2k4i h LEU 78 Ca 0.15 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2k4i h LEU 78 Cb -0.01 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 2k4i h LEU 78 CO -0.06 0.87 0.50 0.15 -0.34 0.00 0.00 178.44 179.56 2k4i h PHE 79 N 1.04 0.94 -0.35 1.25 3.57 -1.18 0.21 116.94 122.43 2k4i h PHE 79 Ca 0.24 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2k4i h PHE 79 Cb 0.20 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2k4i h PHE 79 CO 0.02 0.53 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.66 2k4i h ASN 80 N 0.97 0.54 -0.01 0.41 4.21 -1.06 -1.42 115.58 119.23 2k4i h ASN 80 Ca 0.32 -0.13 -0.02 0.00 1.21 0.00 0.00 56.30 57.68 2k4i h ASN 80 Cb 0.02 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.08 2k4i h ASN 80 CO -0.12 0.65 -0.09 0.74 -1.29 0.00 0.00 177.43 177.33 2k4i h THR 81 N 0.53 1.56 -0.31 2.81 2.02 -1.00 -3.16 112.91 115.37 2k4i h THR 81 Ca 0.11 -1.78 0.02 0.00 0.77 0.00 0.00 66.41 65.52 2k4i h THR 81 Cb 0.43 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 2k4i h THR 81 CO 0.02 0.47 0.21 0.58 0.37 0.00 0.00 175.52 177.17 2k4i h VAL 82 N -0.62 1.03 -0.55 3.16 2.07 -0.56 -0.00 116.25 120.77 2k4i h VAL 82 Ca -0.01 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2k4i h VAL 82 Cb 0.83 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2k4i h VAL 82 CO 0.02 0.06 0.08 0.00 0.02 0.00 0.00 177.57 177.75 2k4i h VAL 84 N 0.84 1.46 -0.11 0.00 2.07 -1.25 -3.17 116.25 116.08 2k4i h VAL 84 Ca 0.17 -3.03 -0.06 0.00 0.82 0.00 0.00 66.70 64.60 2k4i h VAL 84 Cb 0.38 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2k4i h VAL 84 CO 0.01 0.89 -0.21 0.40 0.02 0.00 0.00 177.57 178.67 2k4i h ILE 85 N 0.08 1.21 -0.13 4.57 1.08 -0.86 -2.76 117.51 120.68 2k4i h ILE 85 Ca -0.15 -0.96 -0.09 0.00 -0.39 0.00 0.00 64.86 63.27 2k4i h ILE 85 Cb 1.98 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 37.09 2k4i h ILE 85 CO 0.20 0.29 -0.27 -0.25 -0.69 0.00 0.00 178.15 177.43 2k4i h TRP 86 N 0.18 0.53 0.26 1.37 7.01 -1.36 -3.21 115.95 120.73 2k4i h TRP 86 Ca 0.03 -0.19 0.01 0.00 2.11 0.00 0.00 58.89 60.84 2k4i h TRP 86 Cb 0.48 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 2k4i h TRP 86 CO 0.01 0.89 -0.35 0.00 -2.79 0.00 0.00 178.44 176.20 2k4i h ILE 88 N -0.67 0.35 0.09 0.00 2.04 -1.58 0.43 117.51 118.17 2k4i h ILE 88 Ca -0.00 -0.05 -0.29 0.00 1.00 0.00 0.00 64.86 65.51 2k4i h ILE 88 Cb 0.64 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2k4i h ILE 88 CO -0.12 0.03 -1.48 0.45 0.00 0.00 0.00 178.15 177.03 2k4i h HIS 89 N 0.15 0.35 -0.23 1.37 3.86 -1.26 -3.29 115.15 116.10 2k4i h HIS 89 Ca 0.67 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 2k4i h HIS 89 Cb 2.22 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.67 2k4i h HIS 89 CO -0.00 1.29 0.00 0.00 0.86 0.00 0.00 177.93 180.08 2k4i n ALA 90 N -2.61 2.57 -1.13 2.45 0.00 0.13 -4.85 120.51 117.06 2k4i n ALA 90 Ca -0.14 -0.47 -0.05 0.00 0.00 0.00 0.00 53.44 52.78 2k4i n ALA 90 Cb 1.03 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.21 -1.21 -2.61 0.00 2.13 0.04 -4.95 120.64 114.24 2k4i n GLU 91 Ca 0.08 0.55 -0.42 0.00 0.66 0.00 0.00 57.16 58.03 2k4i n GLU 91 Cb 0.28 -4.58 -0.03 0.00 0.27 0.00 0.00 31.44 27.39 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k4i s GLU 92 N -1.94 4.48 -0.16 5.31 0.41 -0.15 -4.98 118.70 121.66 2k4i s GLU 92 Ca 0.00 1.52 -0.07 0.00 -0.41 0.00 0.00 54.97 56.01 2k4i s GLU 92 Cb 0.00 -3.47 -0.04 0.00 -1.78 0.00 0.00 34.13 28.84 2k4i s GLU 92 CO 0.00 -0.20 0.08 -1.59 -0.49 0.00 0.00 175.26 173.06 2k4i s LYS 93 N 1.40 3.82 -0.03 1.61 -2.85 -1.26 -4.01 119.74 118.41 2k4i s LYS 93 Ca 0.53 -0.30 -0.06 0.00 -1.00 0.00 0.00 55.97 55.15 2k4i s LYS 93 Cb -0.23 -3.20 0.01 0.00 -2.06 0.00 0.00 37.83 32.35 2k4i s LYS 93 CO 0.25 0.41 0.13 0.14 0.10 0.00 0.00 175.35 176.38 2k4i s VAL 94 N -0.00 0.04 0.03 1.79 -7.23 -1.26 -4.99 120.40 108.78 2k4i s VAL 94 Ca 0.07 -0.34 0.10 0.00 -1.81 0.00 0.00 61.98 60.00 2k4i s VAL 94 Cb -0.12 -0.31 -0.19 0.00 0.56 0.00 0.00 36.38 36.32 2k4i s VAL 94 CO 0.01 -0.19 1.04 0.11 -0.31 0.00 0.00 175.10 175.76 2k4i h LYS 95 N 5.16 0.00 0.00 4.82 1.57 -1.97 -3.39 116.57 122.77 2k4i h LYS 95 Ca -0.28 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.33 2k4i h LYS 95 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 2k4i h LYS 95 CO 0.41 0.74 -0.16 -0.40 -0.57 0.00 0.00 179.45 179.47 2k4i n ASP 96 N -3.20 0.38 0.04 0.86 5.75 -1.26 -1.52 116.55 117.59 2k4i n ASP 96 Ca -0.07 -1.73 -0.12 0.00 -0.01 0.00 0.00 54.79 52.86 2k4i n ASP 96 Cb 0.96 0.46 -0.14 0.00 -1.03 0.00 0.00 41.12 41.37 2k4i n ASP 96 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2k4i h THR 97 N 1.30 1.20 -0.07 2.12 2.02 -1.47 -3.32 112.91 114.69 2k4i h THR 97 Ca -0.09 -2.92 -0.02 0.00 0.77 0.00 0.00 66.41 64.15 2k4i h THR 97 Cb 0.41 2.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 2k4i h THR 97 CO 0.14 0.77 -0.03 -0.08 0.37 0.00 0.00 175.52 176.69 2k4i h GLU 98 N 0.03 0.10 -0.16 6.66 4.22 -1.87 -1.11 114.58 122.44 2k4i h GLU 98 Ca -0.20 -0.01 -0.20 0.00 0.08 0.00 0.00 59.36 59.03 2k4i h GLU 98 Cb 1.95 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.19 2k4i h GLU 98 CO 0.13 0.14 -0.70 0.78 -2.18 0.00 0.00 179.01 177.19 2k4i h GLY 99 N 0.32 0.75 2.00 1.92 0.00 -1.98 -3.09 103.07 102.98 2k4i h GLY 99 Ca 0.02 -1.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.21 2k4i h GLY 99 CO 0.01 0.89 -0.72 0.00 0.00 0.00 0.00 176.54 176.72 2k4i h ALA 100 N 0.73 0.78 -0.72 3.60 0.00 -1.53 -2.90 119.26 119.22 2k4i h ALA 100 Ca -0.03 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.18 2k4i h ALA 100 Cb 1.30 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2k4i h ALA 100 CO 0.14 0.90 0.25 0.87 0.00 0.00 0.00 179.25 181.41 2k4i h LYS 101 N 0.00 1.09 0.06 0.00 1.57 -1.21 -1.77 116.57 116.32 2k4i h LYS 101 Ca -0.01 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2k4i h LYS 101 Cb 1.30 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2k4i h LYS 101 CO 0.09 0.92 -0.03 1.96 -0.57 0.00 0.00 179.45 181.83 2k4i h GLN 102 N 1.04 -0.08 -0.88 3.15 1.08 -1.53 -1.33 115.11 116.56 2k4i h GLN 102 Ca 0.24 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.59 2k4i h GLN 102 Cb 0.26 0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.61 2k4i h GLN 102 CO -0.01 0.41 0.48 0.82 -0.95 0.00 0.00 178.83 179.58 2k4i h ILE 103 N -0.62 0.73 -0.00 2.54 2.04 -1.48 -0.29 117.51 120.43 2k4i h ILE 103 Ca -0.01 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2k4i h ILE 103 Cb 0.53 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2k4i h ILE 103 CO 0.01 0.12 -0.00 0.58 0.00 0.00 0.00 178.15 178.86 2k4i h VAL 104 N 0.66 1.41 -0.49 1.67 2.07 -1.34 -2.41 116.25 117.82 2k4i h VAL 104 Ca 0.49 -1.21 0.10 0.00 0.82 0.00 0.00 66.70 66.89 2k4i h VAL 104 Cb 0.69 2.23 -0.08 0.00 -1.52 0.00 0.00 31.29 32.61 2k4i h VAL 104 CO -0.36 0.32 -0.02 -0.09 0.02 0.00 0.00 177.57 177.43 2k4i h ARG 105 N -0.50 0.09 -0.06 1.57 2.43 -0.56 -0.45 114.38 116.89 2k4i h ARG 105 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k4i h ARG 105 Cb 0.52 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2k4i h ARG 105 CO 0.00 0.06 0.04 0.00 -1.51 0.00 0.00 179.97 178.56 2k4i h ARG 106 N 0.09 0.08 -0.81 0.20 3.08 -1.12 -2.52 114.38 113.38 2k4i h ARG 106 Ca 0.25 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.39 2k4i h ARG 106 Cb 0.38 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 2k4i h ARG 106 CO -0.43 0.10 0.53 0.45 -1.07 0.00 0.00 179.97 179.54 2k4i h HIS 107 N 0.05 0.82 -0.41 3.04 3.86 -0.83 0.25 115.15 121.93 2k4i h HIS 107 Ca 0.02 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.15 2k4i h HIS 107 Cb 0.03 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 2k4i h HIS 107 CO -0.06 0.38 -0.17 -0.07 0.86 0.00 0.00 177.93 178.87 2k4i h LEU 108 N 0.77 0.78 -0.22 2.43 3.38 -0.73 -2.56 115.31 119.16 2k4i h LEU 108 Ca 0.37 -0.26 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 2k4i h LEU 108 Cb 0.43 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2k4i h LEU 108 CO -0.15 0.95 -0.92 0.58 0.09 0.00 0.00 178.44 179.00 2k4i h VAL 109 N 0.69 1.48 -0.66 1.22 2.07 -0.84 -3.10 116.25 117.12 2k4i h VAL 109 Ca 0.11 -2.63 -0.03 0.00 0.82 0.00 0.00 66.70 64.97 2k4i h VAL 109 Cb 0.67 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 2k4i h VAL 109 CO 0.05 0.77 0.30 0.00 0.02 0.00 0.00 177.57 178.71 2k4i h ALA 110 N 0.88 0.85 -0.01 1.67 0.00 -0.42 -1.80 119.26 120.44 2k4i h ALA 110 Ca -0.06 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2k4i h ALA 110 Cb 1.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2k4i h ALA 110 CO 0.15 0.43 -0.38 1.49 0.00 0.00 0.00 179.25 180.93 2k4i h GLU 111 N 0.92 0.02 -0.88 0.00 4.81 -1.51 -2.72 114.58 115.22 2k4i h GLU 111 Ca 0.22 -0.01 -0.47 0.00 -0.13 0.00 0.00 59.36 58.98 2k4i h GLU 111 Cb 0.14 -0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.25 2k4i h GLU 111 CO -0.03 0.40 0.52 2.41 -0.73 0.00 0.00 179.01 181.59 2k4i n THR 112 N -4.08 3.11 -2.49 0.32 -1.04 -0.92 -4.34 114.28 104.84 2k4i n THR 112 Ca -0.02 -2.16 -0.01 0.00 -2.04 0.00 0.00 64.05 59.83 2k4i n THR 112 Cb 0.42 -0.49 0.03 0.00 -1.82 0.00 0.00 70.33 68.47 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 -1.13 1.26 1.52 3.41 0.00 -0.72 -4.89 105.19 104.63 2k4i n GLY 113 Ca 0.55 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.28 0.10 0.00 2.61 5.66 -1.25 -4.77 114.28 116.35 2k4i n THR 114 Ca -0.07 -0.89 0.00 0.00 -3.05 0.00 0.00 64.05 60.04 2k4i n THR 114 Cb 0.90 0.89 0.00 0.00 -1.55 0.00 0.00 70.33 70.57 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 0.21 2.29 -1.81 1.79 0.00 -1.26 -4.87 120.51 116.85 2k4i n ALA 115 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 2k4i n ALA 115 Cb 0.99 0.17 0.11 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.08 2.67 0.25 0.00 2.13 -1.26 -4.76 120.64 117.59 2k4i n GLU 116 Ca 0.00 -3.76 0.12 0.00 0.66 0.00 0.00 57.16 54.18 2k4i n GLU 116 Cb 0.17 -1.98 0.74 0.00 0.27 0.00 0.00 31.44 30.65 2k4i n GLU 116 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2k4i h LYS 117 N 1.63 0.00 -3.04 5.31 3.64 -1.89 -3.48 116.57 118.73 2k4i h LYS 117 Ca 0.21 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 59.88 2k4i h LYS 117 Cb 1.30 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.95 2k4i h LYS 117 CO 0.42 0.00 -1.11 -1.33 -2.27 0.00 0.00 179.45 175.17 2k4i n MET 118 N -4.25 -2.91 -2.16 1.90 2.81 -1.26 -4.75 117.12 106.50 2k4i n MET 118 Ca -0.02 2.38 -0.42 0.00 -1.81 0.00 0.00 57.70 57.83 2k4i n MET 118 Cb 0.15 -3.38 -0.03 0.00 -0.71 0.00 0.00 33.22 29.25 2k4i n MET 118 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2k4i s PRO 119 N -4.17 4.22 -0.30 0.03 0.04 -1.26 -4.99 135.00 128.58 2k4i s PRO 119 Ca 0.00 2.01 -0.06 0.00 0.04 0.00 0.00 61.00 62.99 2k4i s PRO 119 Cb 0.00 -3.79 0.16 0.00 0.04 0.00 0.00 34.50 30.90 2k4i s PRO 119 CO 0.00 -0.73 0.64 -1.54 0.04 0.00 0.00 177.00 175.41 2k4i s SER 120 N 2.55 -1.24 0.16 6.66 1.04 -1.26 -5.13 113.70 116.48 2k4i s SER 120 Ca 0.66 1.26 -0.32 0.00 0.48 0.00 0.00 55.95 58.04 2k4i s SER 120 Cb -0.30 2.23 -0.11 0.00 0.10 0.00 0.00 66.02 67.94 2k4i s SER 120 CO 0.25 -0.23 1.78 0.41 0.98 0.00 0.00 173.24 176.43 2k4i n THR 121 N 5.44 0.19 -3.91 2.02 -1.04 -1.26 -4.96 114.28 110.74 2k4i n THR 121 Ca -0.07 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.79 2k4i n THR 121 Cb 0.50 -2.04 -0.00 0.00 -1.82 0.00 0.00 70.33 66.96 2k4i n THR 121 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k4i n SER 122 N 4.80 -1.72 -3.24 8.00 7.64 -1.26 -5.11 113.62 122.74 2k4i n SER 122 Ca 0.17 -2.70 -0.25 0.00 1.01 0.00 0.00 58.87 57.10 2k4i n SER 122 Cb 0.36 3.01 -0.08 0.00 -1.01 0.00 0.00 64.21 66.49 2k4i n SER 122 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k4i n ARG 123 N -0.54 0.70 -1.13 1.43 1.74 -1.26 -5.13 116.66 112.46 2k4i n ARG 123 Ca -0.03 -3.27 -0.29 0.00 -0.77 0.00 0.00 57.85 53.48 2k4i n ARG 123 Cb 0.57 -1.33 0.20 0.00 -1.02 0.00 0.00 32.46 30.88 2k4i n ARG 123 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2k4i s PRO 124 N -1.03 -0.27 0.25 5.56 0.04 -1.26 -5.07 135.00 133.22 2k4i s PRO 124 Ca 0.35 0.27 0.07 0.00 0.04 0.00 0.00 61.00 61.73 2k4i s PRO 124 Cb 0.15 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.97 2k4i s PRO 124 CO -0.12 -3.15 0.19 -0.08 0.04 0.00 0.00 177.00 173.88 2k4i s THR 125 N -2.98 4.45 0.51 1.26 -1.32 -1.26 -5.12 115.64 111.18 2k4i s THR 125 Ca 0.68 -1.39 -0.09 0.00 -1.21 0.00 0.00 61.69 59.67 2k4i s THR 125 Cb -0.15 -3.40 -0.05 0.00 -1.51 0.00 0.00 72.50 67.39 2k4i s THR 125 CO 0.57 -0.34 0.87 0.00 -2.21 0.00 0.00 174.62 173.51 2k4i s ALA 126 N -2.12 3.27 -0.09 11.08 0.00 -1.26 -5.01 121.76 127.63 2k4i s ALA 126 Ca 0.33 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 2k4i s ALA 126 Cb -0.08 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 2k4i s ALA 126 CO 0.25 -0.36 1.51 -1.25 0.00 0.00 0.00 175.76 175.91 2k4i s PRO 127 N -4.60 4.20 -0.43 0.00 0.04 -1.26 -4.97 135.00 127.99 2k4i s PRO 127 Ca 0.52 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 2k4i s PRO 127 Cb -0.10 -3.89 0.02 0.00 0.04 0.00 0.00 34.50 30.57 2k4i s PRO 127 CO 0.43 -0.79 1.16 0.45 0.04 0.00 0.00 177.00 178.29 2k4i s SER 128 N 2.82 6.67 -0.47 6.66 0.15 -1.26 -4.90 113.70 123.38 2k4i s SER 128 Ca 0.67 0.67 0.01 0.00 0.70 0.00 0.00 55.95 57.99 2k4i s SER 128 Cb -0.29 -2.55 0.46 0.00 -1.71 0.00 0.00 66.02 61.93 2k4i s SER 128 CO 0.24 -1.18 1.90 -1.20 1.20 0.00 0.00 173.24 174.20 2k4i n SER 129 N 7.71 5.53 -4.14 5.45 7.64 -1.26 -4.87 113.62 129.69 2k4i n SER 129 Ca 0.13 -3.44 -0.33 0.00 1.01 0.00 0.00 58.87 56.23 2k4i n SER 129 Cb 0.48 -0.90 -0.16 0.00 -1.01 0.00 0.00 64.21 62.63 2k4i n SER 129 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k4i s GLU 130 N -2.95 3.00 0.00 1.43 2.02 -1.26 -5.11 118.70 115.83 2k4i s GLU 130 Ca 0.50 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.67 2k4i s GLU 130 Cb 0.41 -2.62 -0.00 0.00 0.10 0.00 0.00 34.13 32.01 2k4i s GLU 130 CO 0.04 -0.22 -0.01 -1.59 0.02 0.00 0.00 175.26 173.50 2k4i s LYS 131 N 1.30 0.06 0.00 1.61 -2.85 -1.26 -5.12 119.74 113.48 2k4i s LYS 131 Ca 0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 2k4i s LYS 131 Cb -0.13 -0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 2k4i s LYS 131 CO -0.12 0.00 0.00 0.41 0.10 0.00 0.00 175.35 175.75 2k4i n GLY 132 N 2.94 3.85 2.02 0.59 0.00 -1.26 -5.03 105.19 108.30 2k4i n GLY 132 Ca -0.13 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 2k4i n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4i n GLY 133 N 0.00 0.48 0.04 -0.02 0.00 -1.26 -4.95 105.19 99.47 2k4i n GLY 133 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 2k4i n GLY 133 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k4i n ASN 134 N 0.65 3.26 -0.11 1.61 4.13 -1.26 -5.33 115.26 118.21 2k4i n ASN 134 Ca -0.02 -0.01 0.01 0.00 1.68 0.00 0.00 54.58 56.25 2k4i n ASN 134 Cb 0.52 0.50 0.01 0.00 -1.54 0.00 0.00 39.78 39.28 2k4i n ASN 134 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32