#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 1.56 0.02 4.61 0.00 -1.26 -4.91 120.51 120.53 2k4i n ALA 3 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2k4i n ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k4i n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4i h ARG 4 N 0.00 0.55 0.00 0.00 -0.00 -2.10 -3.48 114.38 109.34 2k4i h ARG 4 Ca 0.00 -0.43 0.35 0.00 -0.50 0.00 0.00 59.98 59.40 2k4i h ARG 4 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 29.97 29.99 2k4i h ARG 4 CO 0.00 1.05 0.91 -1.71 0.00 0.00 0.00 179.97 180.22 2k4i n ASN 5 N -3.89 -1.19 -4.66 7.04 2.85 -1.26 -5.13 115.26 109.02 2k4i n ASN 5 Ca -0.05 -1.24 -0.43 0.00 -0.11 0.00 0.00 54.58 52.75 2k4i n ASN 5 Cb 0.70 1.85 -0.02 0.00 1.24 0.00 0.00 39.78 43.55 2k4i n ASN 5 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2k4i s SER 6 N -3.84 6.91 -0.01 1.20 0.15 -1.26 -4.71 113.70 112.14 2k4i s SER 6 Ca 0.30 1.79 -0.22 0.00 0.70 0.00 0.00 55.95 58.52 2k4i s SER 6 Cb -0.01 -2.54 -0.20 0.00 -1.71 0.00 0.00 66.02 61.56 2k4i s SER 6 CO -0.01 -0.77 1.16 0.58 1.20 0.00 0.00 173.24 175.41 2k4i h VAL 7 N 5.44 1.45 -2.59 4.45 2.07 -2.00 -3.45 116.25 121.62 2k4i h VAL 7 Ca -0.29 -1.69 -0.60 0.00 0.82 0.00 0.00 66.70 64.94 2k4i h VAL 7 Cb 1.12 2.39 0.10 0.00 -1.52 0.00 0.00 31.29 33.38 2k4i h VAL 7 CO 0.96 0.48 0.32 0.18 0.02 0.00 0.00 177.57 179.53 2k4i n LEU 8 N -4.50 2.36 0.00 2.57 4.77 -1.26 -4.99 117.00 115.95 2k4i n LEU 8 Ca -0.08 1.17 -0.05 0.00 -0.03 0.00 0.00 56.01 57.02 2k4i n LEU 8 Cb 0.46 -1.34 0.03 0.00 -2.33 0.00 0.00 43.42 40.24 2k4i n LEU 8 CO 0.40 -1.02 0.12 -1.14 -1.33 0.00 0.00 177.39 174.42 2k4i n ARG 9 N 1.11 0.16 -0.09 3.23 3.00 -1.26 -4.97 116.66 117.85 2k4i n ARG 9 Ca 0.10 -0.42 -0.11 0.00 -0.00 0.00 0.00 57.85 57.42 2k4i n ARG 9 Cb 0.31 -0.17 -0.04 0.00 0.00 0.00 0.00 32.46 32.56 2k4i n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4i n GLY 10 N 3.58 -0.78 0.21 5.14 0.00 -1.26 -3.32 105.19 108.76 2k4i n GLY 10 Ca 0.03 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2k4i n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k4i h LYS 11 N -1.00 0.00 0.06 1.61 3.64 -1.97 -2.49 116.57 116.43 2k4i h LYS 11 Ca -0.12 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 2k4i h LYS 11 Cb 0.88 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2k4i h LYS 11 CO -0.08 0.29 -0.74 0.87 -2.27 0.00 0.00 179.45 177.53 2k4i h LYS 12 N 0.00 0.39 -0.61 1.90 1.57 -1.99 -3.30 116.57 114.54 2k4i h LYS 12 Ca -0.00 -0.50 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 2k4i h LYS 12 Cb 0.68 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 2k4i h LYS 12 CO 0.04 1.18 0.25 0.00 -0.57 0.00 0.00 179.45 180.35 2k4i h ALA 13 N 0.23 1.30 -0.06 3.86 0.00 -1.53 -0.23 119.26 122.83 2k4i h ALA 13 Ca -0.11 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2k4i h ALA 13 Cb 1.49 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k4i h ALA 13 CO 0.14 0.52 0.13 -0.44 0.00 0.00 0.00 179.25 179.61 2k4i h ASP 14 N 0.87 0.00 0.00 0.00 3.32 -1.52 0.25 116.42 119.34 2k4i h ASP 14 Ca 0.21 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.89 2k4i h ASP 14 Cb 0.16 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 2k4i h ASP 14 CO -0.02 0.00 -2.38 -0.62 -1.72 0.00 0.00 179.24 174.50 2k4i n GLU 15 N -3.37 0.72 0.12 3.56 4.71 -0.64 -4.27 120.64 121.48 2k4i n GLU 15 Ca -0.01 0.06 -0.02 0.00 -0.01 0.00 0.00 57.16 57.18 2k4i n GLU 15 Cb 0.21 -1.50 0.20 0.00 -1.01 0.00 0.00 31.44 29.34 2k4i n GLU 15 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2k4i h LEU 16 N 0.00 0.15 0.00 -4.62 7.12 -0.30 -2.46 115.31 115.20 2k4i h LEU 16 Ca -0.54 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.39 2k4i h LEU 16 Cb 2.05 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 42.14 2k4i h LEU 16 CO -0.03 0.65 0.00 -0.62 -0.13 0.00 0.00 178.44 178.31 2k4i n GLU 17 N -3.93 0.44 -0.01 1.25 1.02 0.81 -2.76 120.64 117.47 2k4i n GLU 17 Ca -0.02 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 2k4i n GLU 17 Cb 0.55 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 2k4i n GLU 17 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k4i n ARG 18 N -1.24 0.64 -2.19 3.49 1.74 -0.94 -4.58 116.66 113.58 2k4i n ARG 18 Ca 0.13 -0.19 -0.43 0.00 -0.77 0.00 0.00 57.85 56.60 2k4i n ARG 18 Cb 0.19 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 2k4i n ARG 18 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2k4i s ILE 19 N -3.47 3.89 -0.16 0.55 1.01 -1.11 -4.83 121.20 117.09 2k4i s ILE 19 Ca -0.08 1.07 -0.20 0.00 0.00 0.00 0.00 60.65 61.44 2k4i s ILE 19 Cb 0.14 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 2k4i s ILE 19 CO 0.88 -0.11 0.60 -0.60 0.00 0.00 0.00 174.94 175.70 2k4i s ARG 20 N 3.85 4.28 0.60 2.79 6.06 0.79 -0.11 118.95 137.21 2k4i s ARG 20 Ca 0.65 0.60 0.28 0.00 -2.50 0.00 0.00 55.73 54.77 2k4i s ARG 20 Cb -0.28 -3.52 1.40 0.00 0.06 0.00 0.00 34.95 32.61 2k4i s ARG 20 CO 0.23 -0.08 1.81 -0.07 -2.50 0.00 0.00 175.30 174.69 2k4i h LEU 21 N 7.57 0.00 -9.97 -0.88 3.38 -1.78 -2.53 115.31 111.10 2k4i h LEU 21 Ca -0.36 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.05 2k4i h LEU 21 Cb 1.16 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 2k4i h LEU 21 CO 0.76 0.00 -0.47 -0.13 0.09 0.00 0.00 178.44 178.69 2k4i s ARG 22 N -4.52 2.27 0.10 1.13 0.52 -1.26 -4.33 118.95 112.85 2k4i s ARG 22 Ca -0.04 -1.83 -0.15 0.00 -0.52 0.00 0.00 55.73 53.19 2k4i s ARG 22 Cb 0.14 -2.03 -0.08 0.00 0.52 0.00 0.00 34.95 33.50 2k4i s ARG 22 CO 0.50 -0.17 1.42 -1.00 0.02 0.00 0.00 175.30 176.07 2k4i h PRO 23 N 1.32 0.72 -0.29 3.54 0.13 -1.96 -3.35 132.00 132.10 2k4i h PRO 23 Ca -0.42 -0.38 -0.24 0.00 -0.87 0.00 0.00 66.00 64.09 2k4i h PRO 23 Cb 1.26 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 32.11 2k4i h PRO 23 CO 0.68 0.99 -0.85 0.41 -0.23 0.00 0.00 178.00 179.00 2k4i n GLY 24 N 0.16 3.75 2.91 1.56 0.00 -1.26 -4.83 105.19 107.48 2k4i n GLY 24 Ca -0.04 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.51 1.31 0.00 -0.02 0.00 -1.26 -5.04 105.19 99.67 2k4i n GLY 25 Ca 0.20 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.16 3.20 -2.74 1.61 4.76 -1.26 -4.91 118.16 116.65 2k4i n LYS 26 Ca 0.12 -0.18 -0.43 0.00 -2.87 0.00 0.00 58.31 54.96 2k4i n LYS 26 Cb 0.44 -0.64 -0.02 0.00 -1.84 0.00 0.00 35.03 32.97 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 -0.51 3.67 1.04 1.97 2.20 -1.26 -5.01 119.74 121.84 2k4i s LYS 27 Ca 0.00 -1.57 -0.12 0.00 -0.36 0.00 0.00 55.97 53.92 2k4i s LYS 27 Cb 0.00 -5.18 0.21 0.00 -1.51 0.00 0.00 37.83 31.36 2k4i s LYS 27 CO 0.00 -2.00 1.07 -1.59 -0.36 0.00 0.00 175.35 172.47 2k4i s LYS 28 N 3.73 0.09 0.54 4.03 -2.85 -1.26 -2.55 119.74 121.47 2k4i s LYS 28 Ca 0.41 0.79 -0.20 0.00 -1.00 0.00 0.00 55.97 55.96 2k4i s LYS 28 Cb -0.02 -1.68 -0.05 0.00 -2.06 0.00 0.00 37.83 34.03 2k4i s LYS 28 CO -0.07 -3.03 1.22 0.71 0.10 0.00 0.00 175.35 174.27 2k4i s TYR 29 N -2.73 2.53 0.08 1.78 2.02 0.84 -4.72 117.35 117.14 2k4i s TYR 29 Ca 0.66 1.50 0.00 0.00 -0.37 0.00 0.00 57.07 58.86 2k4i s TYR 29 Cb -0.21 -3.49 -0.04 0.00 -0.40 0.00 0.00 41.96 37.81 2k4i s TYR 29 CO 0.60 -2.09 -0.05 0.50 -1.57 0.00 0.00 175.55 172.95 2k4i s ARG 30 N -3.08 0.74 0.38 -0.62 3.52 -1.26 -4.57 118.95 114.06 2k4i s ARG 30 Ca 0.72 -1.29 0.17 0.00 -0.13 0.00 0.00 55.73 55.20 2k4i s ARG 30 Cb -0.31 -0.02 1.07 0.00 -1.56 0.00 0.00 34.95 34.13 2k4i s ARG 30 CO 0.35 -0.06 1.75 -0.07 -0.81 0.00 0.00 175.30 176.46 2k4i h LEU 31 N 3.04 0.49 -1.18 -0.88 3.38 -2.00 0.30 115.31 118.46 2k4i h LEU 31 Ca -0.35 0.10 0.19 0.00 0.09 0.00 0.00 57.88 57.91 2k4i h LEU 31 Cb 1.15 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 2k4i h LEU 31 CO 0.65 0.07 0.61 0.50 0.09 0.00 0.00 178.44 180.37 2k4i h LYS 32 N 0.42 0.64 -0.19 1.13 1.63 -2.00 -0.03 116.57 118.17 2k4i h LYS 32 Ca 0.62 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 60.20 2k4i h LYS 32 Cb 1.50 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.99 2k4i h LYS 32 CO -0.35 0.43 -0.62 0.45 -3.45 0.00 0.00 179.45 175.91 2k4i h HIS 33 N 0.66 0.87 -0.67 1.91 3.86 -0.81 -2.75 115.15 118.22 2k4i h HIS 33 Ca 0.54 -0.34 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 2k4i h HIS 33 Cb 0.97 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.25 2k4i h HIS 33 CO -0.00 1.12 0.25 0.82 0.86 0.00 0.00 177.93 180.98 2k4i h ILE 34 N 0.50 1.24 -0.12 2.45 2.04 -0.94 -2.17 117.51 120.50 2k4i h ILE 34 Ca -0.01 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 2k4i h ILE 34 Cb 1.21 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2k4i h ILE 34 CO 0.12 0.30 0.00 0.58 0.00 0.00 0.00 178.15 179.16 2k4i h VAL 35 N 0.97 1.25 0.00 1.67 2.07 -1.34 -2.06 116.25 118.81 2k4i h VAL 35 Ca 0.22 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2k4i h VAL 35 Cb 0.21 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2k4i h VAL 35 CO -0.02 0.24 -0.03 -0.25 0.02 0.00 0.00 177.57 177.53 2k4i h TRP 36 N -0.05 0.00 0.02 1.57 7.01 -1.33 -0.22 115.95 122.96 2k4i h TRP 36 Ca 0.04 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2k4i h TRP 36 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 2k4i h TRP 36 CO 0.03 0.03 -0.01 0.00 -2.79 0.00 0.00 178.44 175.70 2k4i h ALA 37 N 1.97 -0.02 -0.38 2.65 0.00 -1.08 -3.19 119.26 119.20 2k4i h ALA 37 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2k4i h ALA 37 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k4i h ALA 37 CO 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 179.25 179.27 2k4i h ALA 38 N 0.04 0.50 -0.92 0.00 0.00 -1.06 -2.63 119.26 115.19 2k4i h ALA 38 Ca -0.00 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 54.94 2k4i h ALA 38 Cb 0.76 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 2k4i h ALA 38 CO 0.00 0.15 0.60 -0.97 0.00 0.00 0.00 179.25 179.04 2k4i h ASN 39 N 0.47 0.42 -0.09 0.00 -0.73 -1.17 0.91 115.58 115.40 2k4i h ASN 39 Ca 0.12 0.05 -0.21 0.00 1.87 0.00 0.00 56.30 58.13 2k4i h ASN 39 Cb 0.27 -0.03 0.01 0.00 0.27 0.00 0.00 38.32 38.83 2k4i h ASN 39 CO -0.00 0.16 -0.72 0.11 -0.37 0.00 0.00 177.43 176.61 2k4i h LYS 40 N 0.42 0.73 0.21 6.67 1.79 -1.46 -3.10 116.57 121.83 2k4i h LYS 40 Ca 0.48 -0.56 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2k4i h LYS 40 Cb 1.18 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2k4i h LYS 40 CO -0.19 1.18 -0.17 -0.07 -1.08 0.00 0.00 179.45 179.12 2k4i h LEU 41 N 0.51 -0.43 -0.32 2.94 3.38 -0.53 0.28 115.31 121.15 2k4i h LEU 41 Ca -0.03 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2k4i h LEU 41 Cb 1.33 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.15 2k4i h LEU 41 CO 0.15 -0.26 -0.18 0.44 0.09 0.00 0.00 178.44 178.68 2k4i h ASP 42 N -0.39 -0.59 0.82 -0.43 3.32 -1.15 0.53 116.42 118.54 2k4i h ASP 42 Ca -0.01 0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2k4i h ASP 42 Cb 0.35 0.31 0.01 0.00 0.22 0.00 0.00 39.33 40.22 2k4i h ASP 42 CO -0.01 -0.21 -0.39 -0.09 -1.72 0.00 0.00 179.24 176.81 2k4i h ARG 43 N -0.13 -1.06 -0.70 3.56 2.43 -1.43 -3.14 114.38 113.91 2k4i h ARG 43 Ca 0.16 0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.56 2k4i h ARG 43 Cb 0.39 0.24 -0.12 0.00 -0.42 0.00 0.00 29.97 30.05 2k4i h ARG 43 CO -0.40 -0.70 -0.01 0.74 -1.51 0.00 0.00 179.97 178.09 2k4i h PHE 44 N -1.24 -0.07 0.00 2.20 0.04 -0.24 -3.45 116.94 114.19 2k4i h PHE 44 Ca -0.11 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2k4i h PHE 44 Cb 0.85 0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2k4i h PHE 44 CO -0.00 -0.21 0.00 0.41 -0.60 0.00 0.00 178.31 177.90 2k4i n GLY 45 N -1.40 -0.08 3.89 -1.45 0.00 0.10 -5.08 105.19 101.17 2k4i n GLY 45 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 3.68 0.04 0.99 1.43 0.15 -4.93 118.68 120.04 2k4i s LEU 46 Ca 0.00 1.03 -0.13 0.00 -1.03 0.00 0.00 54.13 54.00 2k4i s LEU 46 Cb 0.00 -3.96 -0.06 0.00 0.03 0.00 0.00 46.19 42.20 2k4i s LEU 46 CO 0.00 -0.52 0.41 0.00 0.23 0.00 0.00 176.35 176.47 2k4i s ALA 47 N -2.62 3.70 0.40 4.21 0.00 -1.26 -2.67 121.76 123.51 2k4i s ALA 47 Ca 0.49 -0.27 0.16 0.00 0.00 0.00 0.00 51.96 52.34 2k4i s ALA 47 Cb -0.10 -2.35 0.92 0.00 0.00 0.00 0.00 23.12 21.59 2k4i s ALA 47 CO 0.40 0.51 1.92 1.05 0.00 0.00 0.00 175.76 179.64 2k4i h GLU 48 N 4.27 0.00 -0.04 0.00 4.11 -1.92 -2.29 114.58 118.70 2k4i h GLU 48 Ca -0.51 0.00 0.01 0.00 0.07 0.00 0.00 59.36 58.94 2k4i h GLU 48 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k4i h GLU 48 CO 0.63 0.27 0.10 0.66 0.07 0.00 0.00 179.01 180.75 2k4i h SER 49 N 0.00 0.00 0.38 3.06 4.64 -2.00 0.35 113.55 119.98 2k4i h SER 49 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k4i h SER 49 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2k4i h SER 49 CO 0.03 0.00 -0.00 -0.07 -0.87 0.00 0.00 176.83 175.92 2k4i h LEU 50 N 0.00 0.00 -0.05 5.97 3.38 -1.77 -0.27 115.31 122.57 2k4i h LEU 50 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k4i h LEU 50 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2k4i h LEU 50 CO -0.00 0.00 -0.05 0.18 0.09 0.00 0.00 178.44 178.66 2k4i n LEU 51 N -3.09 0.13 -1.44 1.67 4.77 0.11 -2.46 117.00 116.69 2k4i n LEU 51 Ca -0.02 0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 2k4i n LEU 51 Cb 0.16 -0.30 0.25 0.00 -2.33 0.00 0.00 43.42 41.20 2k4i n LEU 51 CO 0.23 0.03 0.86 -0.62 -1.33 0.00 0.00 177.39 176.55 2k4i n GLU 52 N -1.26 2.85 -3.64 3.23 1.02 -0.11 -4.92 120.64 117.80 2k4i n GLU 52 Ca 0.13 -3.04 -0.07 0.00 -0.02 0.00 0.00 57.16 54.16 2k4i n GLU 52 Cb 0.27 -1.99 -0.07 0.00 -0.02 0.00 0.00 31.44 29.63 2k4i n GLU 52 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k4i s SER 53 N -1.76 -0.87 0.19 1.62 1.04 -1.20 -5.05 113.70 107.68 2k4i s SER 53 Ca 0.48 1.42 -0.11 0.00 0.48 0.00 0.00 55.95 58.22 2k4i s SER 53 Cb 0.40 1.37 0.11 0.00 0.10 0.00 0.00 66.02 68.00 2k4i s SER 53 CO 0.08 -0.23 1.77 0.07 0.98 0.00 0.00 173.24 175.92 2k4i h LYS 54 N 6.62 0.98 -0.75 4.02 2.10 -1.89 -1.00 116.57 126.65 2k4i h LYS 54 Ca -0.30 -0.15 0.03 0.00 -2.00 0.00 0.00 60.65 58.23 2k4i h LYS 54 Cb 1.22 -0.17 -0.05 0.00 -0.90 0.00 0.00 32.23 32.33 2k4i h LYS 54 CO 0.15 0.78 0.48 1.49 -2.00 0.00 0.00 179.45 180.35 2k4i h GLU 55 N 0.95 0.91 -0.15 0.07 4.81 -1.96 -0.85 114.58 118.36 2k4i h GLU 55 Ca 0.23 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2k4i h GLU 55 Cb 0.13 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2k4i h GLU 55 CO -0.03 0.60 -0.16 0.78 -0.73 0.00 0.00 179.01 179.48 2k4i h GLY 56 N 0.94 0.40 0.80 1.92 0.00 -1.71 -3.05 103.07 102.37 2k4i h GLY 56 Ca 0.30 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.26 2k4i h GLY 56 CO -0.11 0.37 0.47 0.00 0.00 0.00 0.00 176.54 177.28 2k4i h GLN 58 N 0.89 0.51 0.00 0.00 4.15 -1.16 0.12 115.11 119.61 2k4i h GLN 58 Ca 0.32 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.71 2k4i h GLN 58 Cb 0.09 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2k4i h GLN 58 CO -0.14 0.34 0.00 1.63 -1.93 0.00 0.00 178.83 178.73 2k4i n LYS 59 N -4.47 0.14 0.02 1.69 5.02 -0.55 -2.79 118.16 117.20 2k4i n LYS 59 Ca 0.06 0.37 -0.21 0.00 -2.02 0.00 0.00 58.31 56.50 2k4i n LYS 59 Cb 0.16 -1.76 -0.14 0.00 -0.02 0.00 0.00 35.03 33.27 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 0.67 0.00 -0.18 2.04 -0.66 -3.34 117.51 116.04 2k4i h ILE 60 Ca 0.00 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.47 2k4i h ILE 60 Cb 0.34 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2k4i h ILE 60 CO 0.00 0.89 -0.05 -0.07 0.00 0.00 0.00 178.15 178.92 2k4i h LEU 61 N 0.08 0.00 -0.37 1.44 3.38 -1.30 -1.86 115.31 116.67 2k4i h LEU 61 Ca -0.41 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.39 2k4i h LEU 61 Cb 2.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.77 2k4i h LEU 61 CO 0.10 0.05 -0.81 0.00 0.09 0.00 0.00 178.44 177.87 2k4i h THR 62 N 0.00 1.58 0.00 0.22 1.03 -1.66 0.26 112.91 114.34 2k4i h THR 62 Ca -0.00 -2.79 -0.23 0.00 -0.01 0.00 0.00 66.41 63.38 2k4i h THR 62 Cb 0.29 2.51 -0.04 0.00 -1.07 0.00 0.00 68.15 69.84 2k4i h THR 62 CO 0.01 0.80 -1.26 0.58 -0.01 0.00 0.00 175.52 175.63 2k4i h VAL 63 N 0.00 1.21 0.00 0.00 2.07 -1.49 -3.32 116.25 114.73 2k4i h VAL 63 Ca -0.01 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.58 2k4i h VAL 63 Cb 1.44 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.79 2k4i h VAL 63 CO 0.11 0.69 -0.89 0.18 0.02 0.00 0.00 177.57 177.68 2k4i n LEU 64 N -3.19 0.78 0.10 2.57 4.77 -0.78 -4.32 117.00 116.93 2k4i n LEU 64 Ca -0.07 -0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 55.49 2k4i n LEU 64 Cb 0.96 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.89 2k4i n LEU 64 CO 0.45 0.19 0.51 0.44 -1.33 0.00 0.00 177.39 177.65 2k4i h ASP 65 N 0.00 -1.25 0.65 -1.43 3.32 -0.56 -0.62 116.42 116.53 2k4i h ASP 65 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2k4i h ASP 65 Cb 0.54 0.46 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2k4i h ASP 65 CO 0.00 -0.45 0.00 -0.81 -1.72 0.00 0.00 179.24 176.26 2k4i n PRO 66 N -4.83 0.14 0.11 3.56 -0.04 -1.26 -2.35 135.00 130.33 2k4i n PRO 66 Ca -0.07 0.38 -0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2k4i n PRO 66 Cb 0.33 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.78 0.54 2.86 -1.44 -3.29 114.93 114.39 2k4i h MET 67 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2k4i h MET 67 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2k4i h MET 67 CO 0.00 0.60 -0.41 0.28 1.06 0.00 0.00 176.91 178.44 2k4i h VAL 68 N 0.00 0.17 0.00 -2.22 2.07 -0.77 0.32 116.25 115.82 2k4i h VAL 68 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k4i h VAL 68 Cb 1.50 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2k4i h VAL 68 CO 0.08 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.86 2k4i n PRO 69 N -5.57 0.49 -2.73 1.57 -0.04 -1.26 -3.72 135.00 123.74 2k4i n PRO 69 Ca -0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.24 2k4i n PRO 69 Cb 0.45 -1.42 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 2k4i n PRO 69 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k4i n THR 70 N -0.92 0.00 -3.86 0.52 -2.24 -0.85 -5.15 114.28 101.79 2k4i n THR 70 Ca 0.10 -1.38 -0.08 0.00 -2.27 0.00 0.00 64.05 60.42 2k4i n THR 70 Cb 0.04 1.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 2k4i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k4i s GLY 71 N -1.37 0.05 0.67 3.38 0.00 0.11 -4.64 107.32 105.52 2k4i s GLY 71 Ca 0.28 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.44 2k4i s GLY 71 CO -0.17 -0.17 0.90 -1.14 0.00 0.00 0.00 173.10 172.51 2k4i n SER 72 N -0.68 0.02 0.05 1.64 3.41 -1.26 -4.90 113.62 111.90 2k4i n SER 72 Ca -0.05 -1.31 -0.17 0.00 -0.26 0.00 0.00 58.87 57.07 2k4i n SER 72 Cb 0.59 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 2k4i n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k4i h GLU 73 N 0.00 0.60 -0.05 4.33 4.39 -1.99 -2.83 114.58 119.03 2k4i h GLU 73 Ca -0.29 -0.63 0.01 0.00 0.34 0.00 0.00 59.36 58.79 2k4i h GLU 73 Cb 0.80 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2k4i h GLU 73 CO 0.20 1.24 0.12 -0.91 -1.16 0.00 0.00 179.01 178.51 2k4i h ASN 74 N 0.34 0.00 0.00 1.42 2.35 -2.00 -1.16 115.58 116.53 2k4i h ASN 74 Ca -0.11 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 2k4i h ASN 74 Cb 1.64 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.99 2k4i h ASN 74 CO 0.19 0.00 -0.78 0.25 -1.65 0.00 0.00 177.43 175.44 2k4i h LEU 75 N 0.00 0.00 -1.46 1.61 6.46 -1.92 -3.36 115.31 116.64 2k4i h LEU 75 Ca 0.02 -0.27 0.22 0.00 -0.12 0.00 0.00 57.88 57.73 2k4i h LEU 75 Cb 0.27 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.12 2k4i h LEU 75 CO -0.00 1.07 0.62 0.11 -0.62 0.00 0.00 178.44 179.62 2k4i h LYS 76 N -1.00 0.41 -0.04 1.25 1.57 -1.24 -1.05 116.57 116.47 2k4i h LYS 76 Ca -0.15 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2k4i h LYS 76 Cb 0.84 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 2k4i h LYS 76 CO -0.09 0.27 -0.18 0.77 -0.57 0.00 0.00 179.45 179.65 2k4i h SER 77 N 0.42 -0.54 -0.44 0.86 0.02 -1.39 -1.37 113.55 111.11 2k4i h SER 77 Ca 0.51 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.51 2k4i h SER 77 Cb 1.25 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 64.01 2k4i h SER 77 CO -0.21 -0.24 0.15 0.25 -1.14 0.00 0.00 176.83 175.64 2k4i h LEU 78 N -0.27 0.63 -0.56 5.07 5.85 -1.37 -2.90 115.31 121.76 2k4i h LEU 78 Ca 0.07 -0.20 0.11 0.00 0.84 0.00 0.00 57.88 58.70 2k4i h LEU 78 Cb 0.37 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 2k4i h LEU 78 CO -0.20 0.66 0.02 0.15 -0.34 0.00 0.00 178.44 178.73 2k4i h PHE 79 N 0.57 0.00 -0.32 1.25 3.57 -0.98 0.23 116.94 121.26 2k4i h PHE 79 Ca 0.14 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.72 2k4i h PHE 79 Cb 0.25 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2k4i h PHE 79 CO 0.01 -0.12 0.12 -0.91 -2.23 0.00 0.00 178.31 175.18 2k4i h ASN 80 N 0.14 0.15 -0.41 0.41 4.21 -1.10 -1.99 115.58 116.99 2k4i h ASN 80 Ca 0.29 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.81 2k4i h ASN 80 Cb 0.45 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.65 2k4i h ASN 80 CO -0.46 0.12 0.18 0.74 -1.29 0.00 0.00 177.43 176.72 2k4i h THR 81 N 0.27 1.19 -0.90 2.81 2.02 -1.05 -2.64 112.91 114.61 2k4i h THR 81 Ca 0.14 -0.55 0.13 0.00 0.77 0.00 0.00 66.41 66.90 2k4i h THR 81 Cb 0.10 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 2k4i h THR 81 CO -0.14 0.20 0.58 0.58 0.37 0.00 0.00 175.52 177.11 2k4i h VAL 82 N 0.51 0.88 0.00 3.16 2.07 -0.24 0.15 116.25 122.78 2k4i h VAL 82 Ca 0.14 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2k4i h VAL 82 Cb 0.15 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 2k4i h VAL 82 CO -0.01 0.14 -0.27 0.00 0.02 0.00 0.00 177.57 177.45 2k4i h VAL 84 N 0.00 0.13 -0.94 0.00 2.07 -0.62 -3.06 116.25 113.83 2k4i h VAL 84 Ca -0.00 -1.07 0.27 0.00 0.82 0.00 0.00 66.70 66.71 2k4i h VAL 84 Cb 0.50 0.24 -0.14 0.00 -1.52 0.00 0.00 31.29 30.37 2k4i h VAL 84 CO 0.04 0.04 0.40 0.40 0.02 0.00 0.00 177.57 178.47 2k4i h ILE 85 N -1.01 0.34 -0.29 4.57 1.08 -1.19 0.21 117.51 121.23 2k4i h ILE 85 Ca -0.00 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2k4i h ILE 85 Cb 0.09 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.85 2k4i h ILE 85 CO 0.00 0.05 0.10 -0.25 -0.69 0.00 0.00 178.15 177.37 2k4i h TRP 86 N 0.30 0.45 -0.41 1.37 7.01 -1.59 -2.88 115.95 120.19 2k4i h TRP 86 Ca 0.63 -0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.65 2k4i h TRP 86 Cb 1.33 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 28.20 2k4i h TRP 86 CO -0.14 0.46 0.08 0.00 -2.79 0.00 0.00 178.44 176.05 2k4i h ILE 88 N 0.21 0.86 0.11 0.00 2.04 -1.18 -0.31 117.51 119.25 2k4i h ILE 88 Ca 0.20 -0.20 -0.27 0.00 1.00 0.00 0.00 64.86 65.58 2k4i h ILE 88 Cb 0.25 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2k4i h ILE 88 CO -0.27 0.11 -1.20 0.45 0.00 0.00 0.00 178.15 177.25 2k4i h HIS 89 N 0.59 0.68 -0.02 1.37 3.86 -0.98 -3.18 115.15 117.47 2k4i h HIS 89 Ca 0.38 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2k4i h HIS 89 Cb 0.66 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2k4i h HIS 89 CO -0.00 1.32 0.00 0.00 0.86 0.00 0.00 177.93 180.11 2k4i n ALA 90 N -2.58 2.61 -3.06 2.45 0.00 0.05 -4.91 120.51 115.07 2k4i n ALA 90 Ca -0.10 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 2k4i n ALA 90 Cb 0.98 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 19.19 2k4i n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4i n GLU 91 N -0.65 -3.57 -4.01 0.00 1.02 -0.27 -5.01 120.64 108.15 2k4i n GLU 91 Ca 0.16 0.71 -0.34 0.00 -0.02 0.00 0.00 57.16 57.67 2k4i n GLU 91 Cb 0.11 -5.18 -0.15 0.00 -0.02 0.00 0.00 31.44 26.21 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k4i s GLU 92 N -4.61 2.75 -0.13 3.49 0.41 -0.38 -5.03 118.70 115.20 2k4i s GLU 92 Ca 0.20 -1.02 -0.29 0.00 -0.41 0.00 0.00 54.97 53.45 2k4i s GLU 92 Cb -0.03 -2.90 -0.05 0.00 -1.78 0.00 0.00 34.13 29.38 2k4i s GLU 92 CO 0.61 -0.40 1.69 0.15 -0.49 0.00 0.00 175.26 176.82 2k4i s LYS 93 N 1.28 3.96 -0.01 1.61 1.02 -1.26 -4.53 119.74 121.80 2k4i s LYS 93 Ca -0.01 1.99 0.02 0.00 0.02 0.00 0.00 55.97 58.00 2k4i s LYS 93 Cb -0.17 -4.04 -0.00 0.00 -0.52 0.00 0.00 37.83 33.10 2k4i s LYS 93 CO -0.06 -1.11 -0.07 0.14 -0.92 0.00 0.00 175.35 173.33 2k4i s VAL 94 N 4.80 0.62 -0.16 3.17 -7.23 -1.26 -4.98 120.40 115.36 2k4i s VAL 94 Ca 0.75 -0.30 0.08 0.00 -1.81 0.00 0.00 61.98 60.69 2k4i s VAL 94 Cb -0.30 -0.54 -0.23 0.00 0.56 0.00 0.00 36.38 35.87 2k4i s VAL 94 CO 0.30 0.19 0.21 0.29 -0.31 0.00 0.00 175.10 175.78 2k4i n LYS 95 N 3.10 0.68 -3.25 4.82 5.02 -1.26 -4.55 118.16 122.72 2k4i n LYS 95 Ca -0.16 0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 2k4i n LYS 95 Cb 0.56 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 2k4i n LYS 95 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2k4i n ASP 96 N -3.10 0.84 0.10 4.39 5.75 -1.26 -0.15 116.55 123.12 2k4i n ASP 96 Ca -0.32 -2.15 -0.23 0.00 -0.01 0.00 0.00 54.79 52.09 2k4i n ASP 96 Cb 1.07 0.60 -0.15 0.00 -1.03 0.00 0.00 41.12 41.61 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 1.39 1.39 -0.64 2.12 2.02 -1.60 -3.22 112.91 114.37 2k4i h THR 97 Ca -0.16 -2.62 0.06 0.00 0.77 0.00 0.00 66.41 64.46 2k4i h THR 97 Cb 0.64 3.12 -0.06 0.00 -1.74 0.00 0.00 68.15 70.11 2k4i h THR 97 CO 0.25 0.77 0.34 -0.33 0.37 0.00 0.00 175.52 176.92 2k4i h GLU 98 N -0.09 0.61 -0.86 6.66 4.39 -1.87 -0.86 114.58 122.57 2k4i h GLU 98 Ca -0.20 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 2k4i h GLU 98 Cb 1.93 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 30.40 2k4i h GLU 98 CO 0.22 0.40 0.49 0.78 -1.16 0.00 0.00 179.01 179.75 2k4i h GLY 99 N 0.63 1.26 1.28 -3.84 0.00 -1.97 -2.59 103.07 97.84 2k4i h GLY 99 Ca 0.29 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 2k4i h GLY 99 CO -0.19 0.53 -0.18 0.00 0.00 0.00 0.00 176.54 176.70 2k4i h ALA 100 N 1.27 0.87 -0.38 3.60 0.00 -1.39 -2.70 119.26 120.52 2k4i h ALA 100 Ca 0.30 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k4i h ALA 100 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2k4i h ALA 100 CO -0.05 0.64 0.25 0.87 0.00 0.00 0.00 179.25 180.96 2k4i h LYS 101 N 0.74 0.49 -0.11 0.00 1.57 -0.81 -1.81 116.57 116.64 2k4i h LYS 101 Ca 0.11 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2k4i h LYS 101 Cb 0.70 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2k4i h LYS 101 CO 0.05 0.32 -0.43 0.37 -0.57 0.00 0.00 179.45 179.20 2k4i h GLN 102 N 0.50 0.48 -0.17 3.15 4.15 -1.23 -2.40 115.11 119.59 2k4i h GLN 102 Ca 0.14 -0.37 0.02 0.00 0.77 0.00 0.00 58.65 59.21 2k4i h GLN 102 Cb -0.03 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2k4i h GLN 102 CO -0.03 1.00 0.03 0.82 -1.93 0.00 0.00 178.83 178.71 2k4i h ILE 103 N 0.07 0.92 0.13 2.39 2.04 -1.13 0.57 117.51 122.49 2k4i h ILE 103 Ca -0.02 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2k4i h ILE 103 Cb 1.06 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2k4i h ILE 103 CO 0.09 0.02 -0.06 0.58 0.00 0.00 0.00 178.15 178.77 2k4i h VAL 104 N 0.09 0.90 0.06 1.67 2.07 -1.42 -1.57 116.25 118.06 2k4i h VAL 104 Ca 0.08 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2k4i h VAL 104 Cb 0.07 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2k4i h VAL 104 CO -0.10 0.03 -0.22 -0.09 0.02 0.00 0.00 177.57 177.20 2k4i h ARG 105 N -0.23 -0.38 -0.33 1.57 2.43 -1.26 -0.72 114.38 115.47 2k4i h ARG 105 Ca -0.02 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2k4i h ARG 105 Cb 0.18 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2k4i h ARG 105 CO 0.03 -0.25 0.26 0.00 -1.51 0.00 0.00 179.97 178.50 2k4i h ARG 106 N -0.39 0.00 -0.02 0.20 3.08 -0.83 -1.02 114.38 115.41 2k4i h ARG 106 Ca 0.04 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.84 2k4i h ARG 106 Cb 0.44 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.50 2k4i h ARG 106 CO -0.16 0.00 -1.00 0.45 -1.07 0.00 0.00 179.97 178.19 2k4i h HIS 107 N 0.00 0.99 -0.39 3.04 3.86 -0.14 -2.97 115.15 119.55 2k4i h HIS 107 Ca 0.16 -0.53 -0.16 0.00 -1.16 0.00 0.00 60.37 58.69 2k4i h HIS 107 Cb 0.68 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2k4i h HIS 107 CO 0.00 1.36 -0.37 -0.07 0.86 0.00 0.00 177.93 179.71 2k4i h LEU 108 N 0.39 0.98 -1.02 2.43 3.38 0.04 -2.92 115.31 118.59 2k4i h LEU 108 Ca -0.11 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.42 2k4i h LEU 108 Cb 1.64 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.07 2k4i h LEU 108 CO 0.19 1.23 0.63 0.58 0.09 0.00 0.00 178.44 181.17 2k4i h VAL 109 N 0.76 1.25 0.00 1.22 2.07 -1.38 -1.45 116.25 118.72 2k4i h VAL 109 Ca 0.07 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 2k4i h VAL 109 Cb 0.96 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2k4i h VAL 109 CO 0.09 0.25 -0.28 0.00 0.02 0.00 0.00 177.57 177.65 2k4i h ALA 110 N 1.37 1.26 -0.81 1.67 0.00 -1.44 -2.54 119.26 118.77 2k4i h ALA 110 Ca 0.35 -0.25 -0.35 0.00 0.00 0.00 0.00 54.91 54.66 2k4i h ALA 110 Cb -0.13 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 17.41 2k4i h ALA 110 CO -0.07 0.35 0.41 -1.91 0.00 0.00 0.00 179.25 178.03 2k4i n GLU 111 N -3.80 2.84 -0.06 0.00 2.13 -0.59 -4.26 120.64 116.90 2k4i n GLU 111 Ca -0.01 -3.06 -0.02 0.00 0.66 0.00 0.00 57.16 54.72 2k4i n GLU 111 Cb 0.37 -2.15 -0.15 0.00 0.27 0.00 0.00 31.44 29.78 2k4i n GLU 111 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2k4i n THR 112 N -0.73 0.82 -0.58 6.31 -1.04 -0.93 -4.35 114.28 113.79 2k4i n THR 112 Ca 0.49 -0.67 -0.06 0.00 -2.04 0.00 0.00 64.05 61.77 2k4i n THR 112 Cb 1.48 -0.31 0.23 0.00 -1.82 0.00 0.00 70.33 69.91 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 1.68 3.24 0.92 3.41 0.00 -1.26 -4.15 105.19 109.02 2k4i n GLY 113 Ca -0.21 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.10 2.39 -1.36 2.61 5.66 -1.26 -4.55 114.28 117.67 2k4i n THR 114 Ca 0.33 -2.68 0.08 0.00 -3.05 0.00 0.00 64.05 58.72 2k4i n THR 114 Cb 1.18 -0.29 0.18 0.00 -1.55 0.00 0.00 70.33 69.85 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 -1.07 3.05 -1.47 1.79 0.00 -1.26 -4.69 120.51 116.87 2k4i n ALA 115 Ca 0.27 -3.00 -0.20 0.00 0.00 0.00 0.00 53.44 50.52 2k4i n ALA 115 Cb 0.91 -0.37 0.14 0.00 0.00 0.00 0.00 19.45 20.13 2k4i n ALA 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k4i n GLU 116 N -1.25 2.43 -3.22 0.00 0.28 -1.26 -4.93 120.64 112.69 2k4i n GLU 116 Ca 0.18 -3.34 -0.14 0.00 -0.16 0.00 0.00 57.16 53.70 2k4i n GLU 116 Cb 0.68 -2.09 0.07 0.00 1.43 0.00 0.00 31.44 31.52 2k4i n GLU 116 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2k4i n LYS 117 N -1.01 -2.20 -4.36 3.44 3.00 -1.26 -5.04 118.16 110.73 2k4i n LYS 117 Ca 0.49 0.87 -0.20 0.00 -0.00 0.00 0.00 58.31 59.46 2k4i n LYS 117 Cb 1.08 -5.77 -0.13 0.00 0.00 0.00 0.00 35.03 30.21 2k4i n LYS 117 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2k4i s MET 118 N -4.34 0.96 0.64 1.64 -1.94 -1.26 -5.14 119.30 109.84 2k4i s MET 118 Ca 0.44 -0.79 -0.16 0.00 -1.71 0.00 0.00 55.69 53.48 2k4i s MET 118 Cb -0.06 -0.97 -0.01 0.00 2.01 0.00 0.00 34.83 35.80 2k4i s MET 118 CO 0.73 0.24 1.12 -1.25 -0.01 0.00 0.00 175.02 175.84 2k4i s PRO 119 N -1.19 2.91 0.17 2.03 0.04 -1.26 -4.94 135.00 132.75 2k4i s PRO 119 Ca 0.02 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2k4i s PRO 119 Cb -0.08 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2k4i s PRO 119 CO 0.01 -1.17 0.00 0.43 0.04 0.00 0.00 177.00 176.31 2k4i n SER 120 N -2.19 -1.27 -2.62 6.66 7.64 -1.26 -5.13 113.62 115.45 2k4i n SER 120 Ca 0.11 0.31 -0.03 0.00 1.01 0.00 0.00 58.87 60.26 2k4i n SER 120 Cb 0.52 1.43 -0.03 0.00 -1.01 0.00 0.00 64.21 65.12 2k4i n SER 120 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2k4i n THR 121 N -2.87-12.46 -2.98 0.44 -1.04 -1.26 -5.01 114.28 89.10 2k4i n THR 121 Ca 0.00 2.39 -0.14 0.00 -2.04 0.00 0.00 64.05 64.26 2k4i n THR 121 Cb 0.00 -6.68 -0.00 0.00 -1.82 0.00 0.00 70.33 61.83 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 1.28 0.88 -3.12 8.00 7.64 -1.26 -4.96 113.62 122.09 2k4i n SER 122 Ca -0.25 -2.92 -0.19 0.00 1.01 0.00 0.00 58.87 56.51 2k4i n SER 122 Cb 0.39 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 2k4i n SER 122 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k4i n ARG 123 N 0.15 0.84 -2.11 1.43 3.00 -1.26 -5.10 116.66 113.60 2k4i n ARG 123 Ca 0.18 -3.05 -0.43 0.00 -0.00 0.00 0.00 57.85 54.56 2k4i n ARG 123 Cb 0.72 -1.41 -0.03 0.00 0.00 0.00 0.00 32.46 31.75 2k4i n ARG 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2k4i s PRO 124 N -1.37 3.77 -1.10 -0.14 0.04 -1.26 -4.92 135.00 130.02 2k4i s PRO 124 Ca 0.36 1.64 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 2k4i s PRO 124 Cb 0.25 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 2k4i s PRO 124 CO -0.11 -1.33 1.83 0.99 0.04 0.00 0.00 177.00 178.42 2k4i s THR 125 N 5.29 3.68 0.17 1.26 2.01 -1.26 -4.93 115.64 121.86 2k4i s THR 125 Ca 0.72 -0.93 0.10 0.00 0.31 0.00 0.00 61.69 61.88 2k4i s THR 125 Cb -0.25 -4.61 -0.04 0.00 0.01 0.00 0.00 72.50 67.62 2k4i s THR 125 CO 0.29 -1.32 -0.18 0.00 -0.69 0.00 0.00 174.62 172.73 2k4i s ALA 126 N 8.57 2.71 0.13 7.40 0.00 -1.26 -5.11 121.76 134.21 2k4i s ALA 126 Ca 0.63 -1.50 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 2k4i s ALA 126 Cb -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 23.12 22.48 2k4i s ALA 126 CO 0.05 0.49 1.35 -1.25 0.00 0.00 0.00 175.76 176.39 2k4i s PRO 127 N -2.57 4.35 0.46 0.00 0.04 -1.26 -5.03 135.00 130.99 2k4i s PRO 127 Ca 0.21 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.30 2k4i s PRO 127 Cb -0.09 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2k4i s PRO 127 CO 0.12 -0.37 0.68 0.45 0.04 0.00 0.00 177.00 177.92 2k4i s SER 128 N 0.89 5.72 -0.58 6.66 0.15 -1.26 -5.04 113.70 120.24 2k4i s SER 128 Ca 0.62 0.18 -0.25 0.00 0.70 0.00 0.00 55.95 57.20 2k4i s SER 128 Cb -0.36 -1.36 0.04 0.00 -1.71 0.00 0.00 66.02 62.63 2k4i s SER 128 CO 0.32 -0.78 1.02 -0.94 1.20 0.00 0.00 173.24 174.06 2k4i s SER 129 N -4.26 6.34 -1.30 5.45 1.04 -1.26 -4.94 113.70 114.78 2k4i s SER 129 Ca 0.50 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.56 2k4i s SER 129 Cb -0.10 -2.47 0.14 0.00 0.10 0.00 0.00 66.02 63.69 2k4i s SER 129 CO 0.37 -1.34 2.20 -0.62 0.98 0.00 0.00 173.24 174.83 2k4i n GLU 130 N 7.83 4.35 -4.60 4.02 -0.58 -1.26 -4.94 120.64 125.46 2k4i n GLU 130 Ca 0.03 -3.55 -0.27 0.00 -0.42 0.00 0.00 57.16 52.95 2k4i n GLU 130 Cb 0.48 -2.71 -0.11 0.00 -0.57 0.00 0.00 31.44 28.53 2k4i n GLU 130 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2k4i s LYS 131 N -0.86 1.92 0.00 3.49 -0.14 -1.26 -5.10 119.74 117.78 2k4i s LYS 131 Ca 0.49 -2.08 0.00 0.00 -1.36 0.00 0.00 55.97 53.02 2k4i s LYS 131 Cb 0.16 -1.58 0.00 0.00 -1.68 0.00 0.00 37.83 34.72 2k4i s LYS 131 CO -0.06 -0.04 0.00 0.41 -0.76 0.00 0.00 175.35 174.90 2k4i n GLY 132 N -0.93 -1.11 2.93 -3.33 0.00 -1.26 -5.14 105.19 96.35 2k4i n GLY 132 Ca -0.05 0.64 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.52 0.03 -0.02 0.00 -1.26 -5.05 107.32 100.50 2k4i s GLY 133 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 44.72 44.18 2k4i s GLY 133 CO 0.00 3.12 -0.03 -1.31 0.00 0.00 0.00 173.10 174.88 2k4i s ASN 134 N 1.54 0.36 0.00 1.64 0.01 -1.26 -5.14 114.94 112.09 2k4i s ASN 134 Ca 0.17 -0.70 0.07 0.00 -0.71 0.00 0.00 52.86 51.69 2k4i s ASN 134 Cb -0.10 0.14 0.05 0.00 0.41 0.00 0.00 41.25 41.75 2k4i s ASN 134 CO -0.04 -0.42 0.71 -1.22 -1.51 0.00 0.00 177.10 174.62