#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 1.62 0.06 4.61 0.00 -1.26 -4.88 120.51 120.65 2k4i n ALA 3 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2k4i n ALA 3 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.63 0.00 0.00 0.00 3.00 -1.26 -5.07 116.66 110.70 2k4i n ARG 4 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.58 2k4i n ARG 4 Cb 1.04 -0.25 0.00 0.00 0.00 0.00 0.00 32.46 33.25 2k4i n ARG 4 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2k4i n ASN 5 N -3.22 0.00 -4.93 6.15 6.94 -1.26 -5.15 115.26 113.79 2k4i n ASN 5 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.31 2k4i n ASN 5 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 2k4i n ASN 5 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2k4i s SER 6 N -0.81 6.35 -0.15 0.53 1.04 -1.26 -5.04 113.70 114.37 2k4i s SER 6 Ca 0.00 0.46 -0.17 0.00 0.48 0.00 0.00 55.95 56.72 2k4i s SER 6 Cb 0.00 -2.03 -0.24 0.00 0.10 0.00 0.00 66.02 63.84 2k4i s SER 6 CO 0.00 -0.19 0.42 0.58 0.98 0.00 0.00 173.24 175.02 2k4i h VAL 7 N 1.10 0.97 -3.86 5.02 2.07 -2.02 -3.43 116.25 116.11 2k4i h VAL 7 Ca -0.49 -2.31 -0.44 0.00 0.82 0.00 0.00 66.70 64.28 2k4i h VAL 7 Cb 1.21 2.55 0.16 0.00 -1.52 0.00 0.00 31.29 33.69 2k4i h VAL 7 CO 0.64 0.59 0.24 -0.76 0.02 0.00 0.00 177.57 178.30 2k4i s LEU 8 N -7.62 1.56 0.00 2.57 1.43 -1.26 -5.02 118.68 110.34 2k4i s LEU 8 Ca -0.23 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2k4i s LEU 8 Cb 0.05 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.52 2k4i s LEU 8 CO 0.70 -3.28 0.08 0.54 0.23 0.00 0.00 176.35 174.62 2k4i n ARG 9 N -4.22 0.76 -0.10 1.70 1.74 -1.26 -5.00 116.66 110.28 2k4i n ARG 9 Ca 0.10 -0.27 -0.22 0.00 -0.77 0.00 0.00 57.85 56.69 2k4i n ARG 9 Cb 0.59 -0.04 -0.08 0.00 -1.02 0.00 0.00 32.46 31.91 2k4i n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4i n GLY 10 N 4.31 -0.34 0.09 -0.13 0.00 -1.26 -4.05 105.19 103.81 2k4i n GLY 10 Ca 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 2k4i n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4i n LYS 11 N -3.90 0.63 0.13 1.61 4.76 -1.26 -4.12 118.16 116.00 2k4i n LYS 11 Ca -0.41 0.23 -0.22 0.00 -2.87 0.00 0.00 58.31 55.04 2k4i n LYS 11 Cb 0.80 -1.78 -0.15 0.00 -1.84 0.00 0.00 35.03 32.05 2k4i n LYS 11 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2k4i h LYS 12 N 0.00 0.44 -0.93 1.97 6.56 -1.99 -3.30 116.57 119.31 2k4i h LYS 12 Ca -0.23 -0.75 0.15 0.00 -1.06 0.00 0.00 60.65 58.77 2k4i h LYS 12 Cb 1.77 0.28 -0.08 0.00 -0.57 0.00 0.00 32.23 33.63 2k4i h LYS 12 CO 0.06 1.35 0.59 0.00 -2.06 0.00 0.00 179.45 179.39 2k4i h ALA 13 N 0.30 1.78 -0.34 3.86 0.00 -1.73 0.18 119.26 123.32 2k4i h ALA 13 Ca -0.22 0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.81 2k4i h ALA 13 Cb 2.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 2k4i h ALA 13 CO 0.24 -0.05 0.35 0.22 0.00 0.00 0.00 179.25 180.01 2k4i h ASP 14 N 0.74 0.00 0.09 0.00 1.82 -1.71 0.24 116.42 117.59 2k4i h ASP 14 Ca 0.48 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.76 2k4i h ASP 14 Cb 0.75 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.73 2k4i h ASP 14 CO -0.24 0.00 -2.05 -0.62 -1.61 0.00 0.00 179.24 174.72 2k4i n GLU 15 N -3.83 0.72 -0.18 0.28 4.71 0.57 -3.57 120.64 119.35 2k4i n GLU 15 Ca 0.06 0.26 -0.04 0.00 -0.01 0.00 0.00 57.16 57.43 2k4i n GLU 15 Cb 0.51 -1.67 0.15 0.00 -1.01 0.00 0.00 31.44 29.42 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 -0.04 0.88 -0.10 -4.62 7.12 -0.52 -1.38 115.31 116.64 2k4i h LEU 16 Ca -0.45 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.40 2k4i h LEU 16 Cb 1.95 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.85 2k4i h LEU 16 CO 0.02 0.85 -0.03 -0.62 -0.13 0.00 0.00 178.44 178.53 2k4i n GLU 17 N -4.27 0.74 -0.00 1.25 -0.58 0.75 -3.18 120.64 115.35 2k4i n GLU 17 Ca 0.05 -0.10 0.07 0.00 -0.42 0.00 0.00 57.16 56.75 2k4i n GLU 17 Cb 0.23 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.46 2k4i n GLU 17 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2k4i n ARG 18 N -1.04 0.65 -2.72 3.49 0.63 -0.57 -4.58 116.66 112.51 2k4i n ARG 18 Ca 0.18 -0.08 -0.42 0.00 -0.92 0.00 0.00 57.85 56.61 2k4i n ARG 18 Cb 0.21 -1.59 -0.03 0.00 0.45 0.00 0.00 32.46 31.50 2k4i n ARG 18 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2k4i s ILE 19 N -3.28 4.87 -0.15 5.15 1.01 -0.89 -4.87 121.20 123.04 2k4i s ILE 19 Ca -0.07 2.03 -0.08 0.00 0.00 0.00 0.00 60.65 62.54 2k4i s ILE 19 Cb 0.12 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2k4i s ILE 19 CO 0.87 0.14 0.13 -0.60 0.00 0.00 0.00 174.94 175.48 2k4i s ARG 20 N 1.13 3.69 0.61 2.79 3.00 -0.91 -1.81 118.95 127.46 2k4i s ARG 20 Ca 0.51 -0.18 0.35 0.00 -1.00 0.00 0.00 55.73 55.41 2k4i s ARG 20 Cb -0.21 -3.26 1.99 0.00 0.00 0.00 0.00 34.95 33.48 2k4i s ARG 20 CO 0.26 0.60 2.27 -0.07 0.00 0.00 0.00 175.30 178.37 2k4i h LEU 21 N 5.61 0.00 -9.69 -0.88 3.38 -1.79 -0.68 115.31 111.26 2k4i h LEU 21 Ca -0.50 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.93 2k4i h LEU 21 Cb 1.20 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 2k4i h LEU 21 CO 0.64 0.01 -0.60 -0.13 0.09 0.00 0.00 178.44 178.46 2k4i s ARG 22 N -4.41 2.56 -0.02 1.13 0.52 -1.26 -4.28 118.95 113.19 2k4i s ARG 22 Ca -0.05 -1.24 -0.25 0.00 -0.52 0.00 0.00 55.73 53.67 2k4i s ARG 22 Cb 0.14 -2.34 -0.19 0.00 0.52 0.00 0.00 34.95 33.08 2k4i s ARG 22 CO 0.51 0.39 1.21 -1.00 0.02 0.00 0.00 175.30 176.43 2k4i h PRO 23 N 1.80 -0.08 -0.70 3.54 0.13 -1.95 -3.33 132.00 131.41 2k4i h PRO 23 Ca -0.46 0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 2k4i h PRO 23 Cb 1.24 0.02 -0.30 0.00 0.13 0.00 0.00 31.00 32.09 2k4i h PRO 23 CO 0.60 0.37 -0.17 0.41 -0.23 0.00 0.00 178.00 178.99 2k4i n GLY 24 N 0.19 5.84 0.00 1.56 0.00 -1.26 -4.80 105.19 106.72 2k4i n GLY 24 Ca -0.08 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.89 3.39 0.00 -0.02 0.00 -1.25 -5.06 105.19 101.35 2k4i n GLY 25 Ca 0.46 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2k4i n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k4i n LYS 26 N -0.41 0.09 -2.87 1.61 3.00 -1.26 -4.96 118.16 113.37 2k4i n LYS 26 Ca 0.00 -0.35 -0.43 0.00 -0.00 0.00 0.00 58.31 57.53 2k4i n LYS 26 Cb 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 35.03 34.47 2k4i n LYS 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2k4i s LYS 27 N -0.04 3.56 1.09 1.64 2.20 -1.26 -5.00 119.74 121.93 2k4i s LYS 27 Ca 0.00 -1.60 -0.16 0.00 -0.36 0.00 0.00 55.97 53.85 2k4i s LYS 27 Cb 0.00 -4.93 0.23 0.00 -1.51 0.00 0.00 37.83 31.62 2k4i s LYS 27 CO 0.00 -1.84 1.14 0.15 -0.36 0.00 0.00 175.35 174.44 2k4i s LYS 28 N 3.13 -0.32 0.59 4.03 3.01 -1.26 -2.51 119.74 126.41 2k4i s LYS 28 Ca 0.34 0.06 -0.17 0.00 -1.01 0.00 0.00 55.97 55.19 2k4i s LYS 28 Cb -0.05 -1.69 -0.03 0.00 -1.01 0.00 0.00 37.83 35.05 2k4i s LYS 28 CO -0.08 -3.14 1.10 0.71 0.51 0.00 0.00 175.35 174.45 2k4i s TYR 29 N -3.14 2.73 0.09 3.18 1.51 -0.75 -4.77 117.35 116.20 2k4i s TYR 29 Ca 0.69 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 58.30 2k4i s TYR 29 Cb -0.12 -3.17 -0.04 0.00 -0.11 0.00 0.00 41.96 38.52 2k4i s TYR 29 CO 0.56 -1.47 -0.02 0.50 -1.11 0.00 0.00 175.55 174.00 2k4i s ARG 30 N -3.73 0.80 0.50 -0.62 3.52 -1.26 -4.57 118.95 113.58 2k4i s ARG 30 Ca 0.68 -1.33 0.35 0.00 -0.13 0.00 0.00 55.73 55.30 2k4i s ARG 30 Cb -0.20 0.03 1.49 0.00 -1.56 0.00 0.00 34.95 34.71 2k4i s ARG 30 CO 0.34 -0.11 1.72 -0.07 -0.81 0.00 0.00 175.30 176.36 2k4i h LEU 31 N 2.99 0.12 -0.47 -0.88 3.38 -2.00 0.44 115.31 118.90 2k4i h LEU 31 Ca -0.35 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.67 2k4i h LEU 31 Cb 1.17 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2k4i h LEU 31 CO 0.64 -0.02 0.29 0.11 0.09 0.00 0.00 178.44 179.55 2k4i h LYS 32 N 0.08 0.58 -0.58 1.13 1.57 -2.00 -1.87 116.57 115.49 2k4i h LYS 32 Ca 0.70 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.38 2k4i h LYS 32 Cb 2.51 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 34.66 2k4i h LYS 32 CO -0.13 0.38 0.12 0.45 -0.57 0.00 0.00 179.45 179.69 2k4i h HIS 33 N 0.60 1.00 -0.90 -1.35 3.86 -0.51 -1.41 115.15 116.44 2k4i h HIS 33 Ca 0.18 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 2k4i h HIS 33 Cb -0.03 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.12 2k4i h HIS 33 CO -0.05 0.87 0.50 0.82 0.86 0.00 0.00 177.93 180.92 2k4i h ILE 34 N 0.85 1.26 -0.19 2.45 2.04 -1.26 -2.02 117.51 120.64 2k4i h ILE 34 Ca 0.18 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 2k4i h ILE 34 Cb 0.39 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2k4i h ILE 34 CO 0.01 0.29 -0.05 0.58 0.00 0.00 0.00 178.15 178.98 2k4i h VAL 35 N 1.26 1.29 0.00 1.67 2.07 -1.16 -2.10 116.25 119.27 2k4i h VAL 35 Ca 0.32 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2k4i h VAL 35 Cb 0.02 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2k4i h VAL 35 CO -0.05 0.31 -0.01 -0.25 0.02 0.00 0.00 177.57 177.58 2k4i h TRP 36 N 0.07 0.00 0.00 1.57 7.01 -1.05 -0.60 115.95 122.96 2k4i h TRP 36 Ca 0.05 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 2k4i h TRP 36 Cb 0.49 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 2k4i h TRP 36 CO 0.05 0.01 -0.14 0.00 -2.79 0.00 0.00 178.44 175.57 2k4i h ALA 37 N 1.99 0.03 -0.53 2.65 0.00 -1.06 -3.06 119.26 119.27 2k4i h ALA 37 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2k4i h ALA 37 Cb 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k4i h ALA 37 CO 0.00 0.08 0.24 0.00 0.00 0.00 0.00 179.25 179.58 2k4i h ALA 38 N -0.12 0.69 -0.06 0.00 0.00 -1.05 -1.81 119.26 116.90 2k4i h ALA 38 Ca -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k4i h ALA 38 Cb 0.97 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2k4i h ALA 38 CO -0.02 0.27 -0.07 -0.91 0.00 0.00 0.00 179.25 178.51 2k4i h ASN 39 N 0.72 0.08 0.14 0.00 4.21 -1.27 -2.14 115.58 117.31 2k4i h ASN 39 Ca 0.18 -0.01 -0.21 0.00 1.21 0.00 0.00 56.30 57.47 2k4i h ASN 39 Cb 0.14 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 2k4i h ASN 39 CO -0.02 0.17 -0.83 0.50 -1.29 0.00 0.00 177.43 175.96 2k4i h LYS 40 N 0.09 0.55 0.08 0.81 1.63 -1.32 -3.12 116.57 115.29 2k4i h LYS 40 Ca 0.02 -0.49 -0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2k4i h LYS 40 Cb 0.19 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2k4i h LYS 40 CO 0.01 1.12 -0.04 -0.07 -3.45 0.00 0.00 179.45 177.02 2k4i h LEU 41 N 0.35 -0.09 -0.42 5.20 3.38 -0.73 -0.43 115.31 122.57 2k4i h LEU 41 Ca -0.06 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.83 2k4i h LEU 41 Cb 1.44 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.13 2k4i h LEU 41 CO 0.15 0.12 -0.14 -0.78 0.09 0.00 0.00 178.44 177.88 2k4i h ASP 42 N -0.30 -0.51 0.86 -0.43 3.58 -1.15 0.49 116.42 118.96 2k4i h ASP 42 Ca -0.01 0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 2k4i h ASP 42 Cb 0.26 0.31 0.01 0.00 1.72 0.00 0.00 39.33 41.62 2k4i h ASP 42 CO 0.02 -0.18 -0.41 -0.09 -2.88 0.00 0.00 179.24 175.70 2k4i h ARG 43 N -0.05 -1.11 -0.76 0.28 2.43 -1.48 -3.13 114.38 110.55 2k4i h ARG 43 Ca 0.21 0.08 0.18 0.00 -0.81 0.00 0.00 59.98 59.63 2k4i h ARG 43 Cb 0.37 0.25 -0.13 0.00 -0.42 0.00 0.00 29.97 30.04 2k4i h ARG 43 CO -0.46 -0.74 0.09 0.74 -1.51 0.00 0.00 179.97 178.09 2k4i h PHE 44 N -1.30 0.11 0.00 2.20 0.04 -0.83 -3.45 116.94 113.71 2k4i h PHE 44 Ca -0.12 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2k4i h PHE 44 Cb 0.88 0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.11 2k4i h PHE 44 CO -0.00 -0.19 0.00 0.41 -0.60 0.00 0.00 178.31 177.93 2k4i n GLY 45 N -1.39 0.11 3.92 -1.45 0.00 0.88 -5.09 105.19 102.16 2k4i n GLY 45 Ca 0.15 0.00 -0.27 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 3.33 0.33 0.99 1.43 0.14 -4.92 118.68 119.97 2k4i s LEU 46 Ca 0.00 0.73 0.06 0.00 -1.03 0.00 0.00 54.13 53.89 2k4i s LEU 46 Cb 0.00 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 2k4i s LEU 46 CO 0.00 -0.96 0.47 0.00 0.23 0.00 0.00 176.35 176.09 2k4i s ALA 47 N -2.92 4.14 -0.68 4.21 0.00 -1.26 -2.56 121.76 122.69 2k4i s ALA 47 Ca 0.52 -1.38 0.24 0.00 0.00 0.00 0.00 51.96 51.34 2k4i s ALA 47 Cb -0.10 -1.73 0.26 0.00 0.00 0.00 0.00 23.12 21.54 2k4i s ALA 47 CO 0.45 -0.02 1.22 -0.85 0.00 0.00 0.00 175.76 176.56 2k4i n GLU 48 N -1.64 0.25 0.07 0.00 0.28 -1.26 -3.85 120.64 114.49 2k4i n GLU 48 Ca -0.01 0.04 0.08 0.00 -0.16 0.00 0.00 57.16 57.11 2k4i n GLU 48 Cb 0.58 -1.63 0.36 0.00 1.43 0.00 0.00 31.44 32.18 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 -1.98 0.30 -1.07 -1.84 7.64 -1.26 -1.69 113.62 113.73 2k4i n SER 49 Ca 0.03 0.59 0.05 0.00 1.01 0.00 0.00 58.87 60.55 2k4i n SER 49 Cb 0.42 -0.65 0.21 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 -1.86 3.05 -0.00 -3.43 4.77 -1.25 -3.64 117.00 114.65 2k4i n LEU 50 Ca 0.02 -1.54 0.06 0.00 -0.03 0.00 0.00 56.01 54.52 2k4i n LEU 50 Cb 0.14 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.68 2k4i n LEU 50 CO 0.13 0.49 -0.16 0.18 -1.33 0.00 0.00 177.39 176.70 2k4i n LEU 51 N 0.47 0.47 -1.57 2.23 4.77 -0.68 -2.36 117.00 120.32 2k4i n LEU 51 Ca 0.15 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.61 2k4i n LEU 51 Cb 0.61 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.89 2k4i n LEU 51 CO 0.15 0.12 0.92 -1.84 -1.33 0.00 0.00 177.39 175.40 2k4i n GLU 52 N -1.43 2.02 -3.57 3.23 0.28 -1.24 -4.93 120.64 114.99 2k4i n GLU 52 Ca 0.01 -3.13 -0.09 0.00 -0.16 0.00 0.00 57.16 53.80 2k4i n GLU 52 Cb 0.22 -1.96 -0.02 0.00 1.43 0.00 0.00 31.44 31.12 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 -2.06 -0.42 -0.14 -1.84 1.04 -1.26 -5.07 113.70 103.94 2k4i s SER 53 Ca 0.49 -0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.63 2k4i s SER 53 Cb 0.43 0.58 -0.24 0.00 0.10 0.00 0.00 66.02 66.90 2k4i s SER 53 CO 0.04 -1.00 0.32 2.29 0.98 0.00 0.00 173.24 175.87 2k4i n LYS 54 N -0.39 0.71 0.25 4.02 2.85 -1.26 -3.27 118.16 121.07 2k4i n LYS 54 Ca -0.11 0.34 0.09 0.00 -1.05 0.00 0.00 58.31 57.58 2k4i n LYS 54 Cb 0.63 -1.71 0.64 0.00 -0.65 0.00 0.00 35.03 33.93 2k4i n LYS 54 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2k4i h GLU 55 N -0.20 0.00 0.11 -1.58 4.81 -1.96 -0.64 114.58 115.12 2k4i h GLU 55 Ca -0.41 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.67 2k4i h GLU 55 Cb 1.85 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.25 2k4i h GLU 55 CO 0.01 0.13 -0.67 0.78 -0.73 0.00 0.00 179.01 178.53 2k4i h GLY 56 N 0.56 0.26 1.59 1.92 0.00 -1.83 -3.28 103.07 102.29 2k4i h GLY 56 Ca -0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 2k4i h GLY 56 CO 0.02 0.59 -0.20 0.00 0.00 0.00 0.00 176.54 176.94 2k4i h GLN 58 N 0.44 0.38 0.00 0.00 4.15 -1.23 0.61 115.11 119.46 2k4i h GLN 58 Ca 0.07 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2k4i h GLN 58 Cb 0.60 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.20 2k4i h GLN 58 CO 0.04 0.25 0.00 1.63 -1.93 0.00 0.00 178.83 178.82 2k4i n LYS 59 N -4.49 0.18 0.00 1.69 4.01 -1.01 -3.19 118.16 115.35 2k4i n LYS 59 Ca 0.01 0.29 -0.22 0.00 -0.51 0.00 0.00 58.31 57.88 2k4i n LYS 59 Cb 0.07 -1.77 -0.14 0.00 -0.51 0.00 0.00 35.03 32.68 2k4i n LYS 59 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2k4i h ILE 60 N 0.00 0.73 0.00 -0.18 2.04 -0.91 -3.34 117.51 115.84 2k4i h ILE 60 Ca 0.00 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.51 2k4i h ILE 60 Cb 0.50 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2k4i h ILE 60 CO 0.00 0.81 -0.03 -0.07 0.00 0.00 0.00 178.15 178.87 2k4i h LEU 61 N -0.08 0.00 -0.28 1.44 3.38 -1.39 -1.55 115.31 116.83 2k4i h LEU 61 Ca -0.40 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.39 2k4i h LEU 61 Cb 1.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 2k4i h LEU 61 CO 0.06 0.03 -0.87 0.00 0.09 0.00 0.00 178.44 177.75 2k4i h THR 62 N 0.00 1.60 0.00 0.22 1.03 -1.67 0.28 112.91 114.36 2k4i h THR 62 Ca -0.00 -2.90 -0.21 0.00 -0.01 0.00 0.00 66.41 63.29 2k4i h THR 62 Cb 0.20 2.58 -0.03 0.00 -1.07 0.00 0.00 68.15 69.82 2k4i h THR 62 CO 0.00 0.83 -1.07 0.58 -0.01 0.00 0.00 175.52 175.85 2k4i h VAL 63 N 0.02 1.49 -0.01 0.00 2.07 -1.42 -3.29 116.25 115.11 2k4i h VAL 63 Ca -0.02 -3.18 0.00 0.00 0.82 0.00 0.00 66.70 64.32 2k4i h VAL 63 Cb 1.53 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 34.02 2k4i h VAL 63 CO 0.12 0.85 -0.70 0.18 0.02 0.00 0.00 177.57 178.03 2k4i n LEU 64 N -3.28 1.54 0.13 2.57 4.77 -0.88 -4.40 117.00 117.45 2k4i n LEU 64 Ca -0.03 -0.63 -0.13 0.00 -0.03 0.00 0.00 56.01 55.20 2k4i n LEU 64 Cb 0.94 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.94 2k4i n LEU 64 CO 0.46 0.32 0.51 0.44 -1.33 0.00 0.00 177.39 177.79 2k4i h ASP 65 N 1.31 -1.17 0.72 -1.43 3.32 -0.51 -0.27 116.42 118.40 2k4i h ASP 65 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2k4i h ASP 65 Cb 0.64 0.42 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2k4i h ASP 65 CO 0.00 -0.46 0.00 -0.81 -1.72 0.00 0.00 179.24 176.25 2k4i n PRO 66 N -4.76 0.20 0.12 3.56 -0.04 -1.26 -2.35 135.00 130.47 2k4i n PRO 66 Ca -0.07 0.43 0.01 0.00 -0.04 0.00 0.00 63.50 63.83 2k4i n PRO 66 Cb 0.33 -1.89 -0.00 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.63 0.54 2.86 -1.54 -3.32 114.93 114.10 2k4i h MET 67 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2k4i h MET 67 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2k4i h MET 67 CO 0.00 0.55 -0.41 0.28 1.06 0.00 0.00 176.91 178.39 2k4i h VAL 68 N 0.00 0.17 0.00 -2.22 2.07 -0.68 0.42 116.25 116.01 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 1.46 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2k4i h VAL 68 CO 0.07 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.85 2k4i n PRO 69 N -5.54 0.49 -2.73 1.57 -0.04 -1.26 -3.53 135.00 123.96 2k4i n PRO 69 Ca -0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.24 2k4i n PRO 69 Cb 0.43 -1.33 0.09 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.83 0.00 -3.56 0.52 -1.04 -0.71 -5.14 114.28 103.51 2k4i n THR 70 Ca 0.08 -1.45 -0.14 0.00 -2.04 0.00 0.00 64.05 60.49 2k4i n THR 70 Cb 0.04 1.48 -0.05 0.00 -1.82 0.00 0.00 70.33 69.97 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 -1.24 -0.45 0.00 3.41 0.00 0.14 -4.71 107.32 104.47 2k4i s GLY 71 Ca 0.23 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.65 2k4i s GLY 71 CO -0.07 0.39 0.00 -1.14 0.00 0.00 0.00 173.10 172.28 2k4i n SER 72 N 0.48 -1.41 0.07 1.64 3.41 -1.26 -4.75 113.62 111.81 2k4i n SER 72 Ca -0.18 -0.26 -0.03 0.00 -0.26 0.00 0.00 58.87 58.13 2k4i n SER 72 Cb 0.60 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 2k4i n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2k4i h GLU 73 N 0.00 0.00 0.00 4.33 4.57 -2.00 -2.84 114.58 118.64 2k4i h GLU 73 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2k4i h GLU 73 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2k4i h GLU 73 CO 0.00 0.69 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.53 2k4i h ASN 74 N 0.00 0.00 0.00 1.04 2.35 -2.00 -1.42 115.58 115.55 2k4i h ASN 74 Ca -0.06 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.55 2k4i h ASN 74 Cb 1.65 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.00 2k4i h ASN 74 CO 0.09 0.08 -1.19 -0.11 -1.65 0.00 0.00 177.43 174.65 2k4i n LEU 75 N -3.62 1.88 -0.29 1.61 0.00 -1.23 -4.27 117.00 111.08 2k4i n LEU 75 Ca -0.02 0.45 0.22 0.00 0.00 0.00 0.00 56.01 56.66 2k4i n LEU 75 Cb 0.20 -0.85 0.52 0.00 0.00 0.00 0.00 43.42 43.28 2k4i n LEU 75 CO 0.29 -0.05 1.23 0.50 0.00 0.00 0.00 177.39 179.35 2k4i h LYS 76 N -1.00 0.38 -0.16 1.96 3.64 -1.52 -0.71 116.57 119.17 2k4i h LYS 76 Ca -0.21 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.19 2k4i h LYS 76 Cb 1.03 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 2k4i h LYS 76 CO -0.13 0.25 -0.15 0.77 -2.27 0.00 0.00 179.45 177.92 2k4i h SER 77 N 0.39 -0.48 -0.81 4.20 0.02 -1.45 -1.23 113.55 114.19 2k4i h SER 77 Ca 0.54 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.55 2k4i h SER 77 Cb 1.40 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 64.14 2k4i h SER 77 CO -0.23 -0.20 0.37 0.25 -1.14 0.00 0.00 176.83 175.88 2k4i h LEU 78 N -0.18 1.08 -1.45 5.07 5.85 -1.32 -2.37 115.31 121.98 2k4i h LEU 78 Ca 0.10 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2k4i h LEU 78 Cb 0.33 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2k4i h LEU 78 CO -0.26 0.93 0.44 0.15 -0.34 0.00 0.00 178.44 179.35 2k4i h PHE 79 N 1.16 0.67 -0.26 1.25 3.57 -0.90 0.10 116.94 122.53 2k4i h PHE 79 Ca 0.27 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 2k4i h PHE 79 Cb 0.15 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2k4i h PHE 79 CO 0.02 0.35 -0.19 -0.91 -2.23 0.00 0.00 178.31 175.35 2k4i h ASN 80 N 0.66 0.45 0.12 0.41 -0.26 -0.71 -2.36 115.58 113.89 2k4i h ASN 80 Ca 0.29 -0.13 -0.19 0.00 -0.56 0.00 0.00 56.30 55.71 2k4i h ASN 80 Cb 0.28 -0.12 0.02 0.00 -1.06 0.00 0.00 38.32 37.44 2k4i h ASN 80 CO -0.09 0.65 -0.80 0.74 -1.06 0.00 0.00 177.43 176.87 2k4i h THR 81 N 0.41 1.49 -0.74 2.81 2.02 -1.04 -3.26 112.91 114.61 2k4i h THR 81 Ca 0.07 -2.47 0.09 0.00 0.77 0.00 0.00 66.41 64.87 2k4i h THR 81 Cb 0.57 3.11 -0.05 0.00 -1.74 0.00 0.00 68.15 70.03 2k4i h THR 81 CO 0.04 0.70 0.49 0.58 0.37 0.00 0.00 175.52 177.70 2k4i h VAL 82 N -0.31 0.94 -0.36 3.16 2.07 -0.81 0.33 116.25 121.26 2k4i h VAL 82 Ca -0.14 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 2k4i h VAL 82 Cb 1.61 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2k4i h VAL 82 CO 0.15 0.12 -0.07 0.00 0.02 0.00 0.00 177.57 177.79 2k4i h VAL 84 N 0.56 0.18 -1.16 0.00 2.07 -1.15 -3.13 116.25 113.61 2k4i h VAL 84 Ca 0.11 -1.01 0.37 0.00 0.82 0.00 0.00 66.70 66.98 2k4i h VAL 84 Cb 0.47 0.33 -0.13 0.00 -1.52 0.00 0.00 31.29 30.44 2k4i h VAL 84 CO 0.02 0.06 0.73 0.40 0.02 0.00 0.00 177.57 178.80 2k4i h ILE 85 N -1.03 0.25 0.07 4.57 1.08 -1.07 0.23 117.51 121.62 2k4i h ILE 85 Ca -0.01 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2k4i h ILE 85 Cb 0.20 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 2k4i h ILE 85 CO 0.02 0.04 -0.03 -0.25 -0.69 0.00 0.00 178.15 177.24 2k4i h TRP 86 N 0.21 -0.09 -0.54 1.37 7.01 -1.55 -3.15 115.95 119.22 2k4i h TRP 86 Ca 0.75 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.85 2k4i h TRP 86 Cb 2.10 0.03 -0.09 0.00 -2.10 0.00 0.00 29.16 29.10 2k4i h TRP 86 CO -0.01 0.20 -0.02 0.00 -2.79 0.00 0.00 178.44 175.82 2k4i h ILE 88 N 0.10 0.53 0.13 0.00 2.04 -1.37 0.22 117.51 119.15 2k4i h ILE 88 Ca 0.27 -0.15 -0.29 0.00 1.00 0.00 0.00 64.86 65.70 2k4i h ILE 88 Cb 0.43 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2k4i h ILE 88 CO -0.47 0.08 -1.38 0.45 0.00 0.00 0.00 178.15 176.82 2k4i h HIS 89 N 0.42 0.50 -0.15 1.37 3.86 -0.85 -3.25 115.15 117.06 2k4i h HIS 89 Ca 0.60 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2k4i h HIS 89 Cb 1.46 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.91 2k4i h HIS 89 CO -0.00 1.34 0.00 0.00 0.86 0.00 0.00 177.93 180.13 2k4i n ALA 90 N -2.60 2.50 -3.26 2.45 0.00 0.17 -4.84 120.51 114.93 2k4i n ALA 90 Ca -0.12 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 52.85 2k4i n ALA 90 Cb 1.04 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.05 -4.23 -4.12 0.00 4.07 0.52 -5.01 120.64 111.82 2k4i n GLU 91 Ca 0.08 0.81 -0.33 0.00 -0.06 0.00 0.00 57.16 57.67 2k4i n GLU 91 Cb 0.16 -5.65 -0.16 0.00 -0.06 0.00 0.00 31.44 25.73 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 -4.81 2.93 -0.25 5.31 0.41 -0.21 -5.02 118.70 117.06 2k4i s GLU 92 Ca 0.21 -0.81 -0.19 0.00 -0.41 0.00 0.00 54.97 53.77 2k4i s GLU 92 Cb -0.03 -2.53 -0.02 0.00 -1.78 0.00 0.00 34.13 29.77 2k4i s GLU 92 CO 0.70 -0.21 0.59 0.15 -0.49 0.00 0.00 175.26 175.99 2k4i s LYS 93 N 1.30 4.10 -0.05 1.61 1.02 -1.26 -4.33 119.74 122.13 2k4i s LYS 93 Ca 0.05 0.47 0.03 0.00 0.02 0.00 0.00 55.97 56.54 2k4i s LYS 93 Cb -0.13 -3.64 0.01 0.00 -0.52 0.00 0.00 37.83 33.54 2k4i s LYS 93 CO -0.13 -0.37 -0.13 0.14 -0.92 0.00 0.00 175.35 173.94 2k4i s VAL 94 N 2.38 1.14 0.24 3.17 -7.23 -1.26 -5.02 120.40 113.82 2k4i s VAL 94 Ca 0.25 -0.52 0.03 0.00 -1.81 0.00 0.00 61.98 59.93 2k4i s VAL 94 Cb -0.16 -1.02 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 2k4i s VAL 94 CO 0.09 0.35 1.59 0.50 -0.31 0.00 0.00 175.10 177.32 2k4i h LYS 95 N 6.66 0.31 0.00 4.82 3.64 -1.95 -3.40 116.57 126.65 2k4i h LYS 95 Ca -0.32 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 58.74 2k4i h LYS 95 Cb 1.18 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2k4i h LYS 95 CO 0.48 0.76 -0.13 -0.40 -2.27 0.00 0.00 179.45 177.89 2k4i n ASP 96 N -3.94 -0.02 0.06 4.20 5.68 -1.26 -2.14 116.55 119.14 2k4i n ASP 96 Ca -0.02 -1.60 -0.20 0.00 -0.50 0.00 0.00 54.79 52.47 2k4i n ASP 96 Cb 0.57 0.43 -0.15 0.00 -1.14 0.00 0.00 41.12 40.83 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 1.28 0.99 -0.20 2.12 2.02 -1.30 -3.28 112.91 114.54 2k4i h THR 97 Ca -0.07 -2.61 0.06 0.00 0.77 0.00 0.00 66.41 64.56 2k4i h THR 97 Cb 0.33 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 2k4i h THR 97 CO 0.10 0.83 0.19 -0.33 0.37 0.00 0.00 175.52 176.68 2k4i h GLU 98 N 0.09 0.00 0.13 6.66 4.39 -1.85 -1.05 114.58 122.94 2k4i h GLU 98 Ca -0.31 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.11 2k4i h GLU 98 Cb 2.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 2k4i h GLU 98 CO 0.16 0.00 -1.32 0.78 -1.16 0.00 0.00 179.01 177.47 2k4i h GLY 99 N 0.00 0.31 1.96 -3.84 0.00 -1.97 -3.25 103.07 96.28 2k4i h GLY 99 Ca 0.10 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.52 2k4i h GLY 99 CO -0.00 0.69 -0.55 0.00 0.00 0.00 0.00 176.54 176.68 2k4i h ALA 100 N 0.55 1.07 -0.30 3.60 0.00 -1.29 -2.47 119.26 120.42 2k4i h ALA 100 Ca -0.16 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 2k4i h ALA 100 Cb 1.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2k4i h ALA 100 CO 0.19 0.69 -0.26 0.87 0.00 0.00 0.00 179.25 180.74 2k4i h LYS 101 N 0.03 0.59 -0.06 0.00 1.57 -1.40 -2.29 116.57 115.01 2k4i h LYS 101 Ca -0.00 -0.24 -0.16 0.00 -1.87 0.00 0.00 60.65 58.38 2k4i h LYS 101 Cb 0.98 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.27 2k4i h LYS 101 CO 0.07 0.80 -0.59 1.96 -0.57 0.00 0.00 179.45 181.12 2k4i h GLN 102 N 0.52 0.50 -0.67 3.15 4.20 -1.56 -2.21 115.11 119.04 2k4i h GLN 102 Ca 0.07 -0.46 0.03 0.00 0.06 0.00 0.00 58.65 58.35 2k4i h GLN 102 Cb 0.72 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 2k4i h GLN 102 CO 0.06 1.10 0.41 0.82 -0.67 0.00 0.00 178.83 180.55 2k4i h ILE 103 N 0.07 1.07 0.10 2.54 2.04 -1.40 -0.16 117.51 121.78 2k4i h ILE 103 Ca -0.06 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2k4i h ILE 103 Cb 1.26 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2k4i h ILE 103 CO 0.12 0.15 -0.05 0.58 0.00 0.00 0.00 178.15 178.95 2k4i h VAL 104 N 0.80 1.10 -0.28 1.67 2.07 -1.47 -1.65 116.25 118.49 2k4i h VAL 104 Ca 0.27 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.99 2k4i h VAL 104 Cb 0.05 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 2k4i h VAL 104 CO -0.12 0.21 -0.12 -0.09 0.02 0.00 0.00 177.57 177.46 2k4i h ARG 105 N -0.54 -0.08 -0.54 1.57 2.43 -1.23 -1.48 114.38 114.51 2k4i h ARG 105 Ca -0.01 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2k4i h ARG 105 Cb 0.44 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2k4i h ARG 105 CO 0.02 -0.05 0.35 -0.09 -1.51 0.00 0.00 179.97 178.69 2k4i h ARG 106 N -0.08 0.70 -0.70 0.20 2.43 -1.07 -2.28 114.38 113.58 2k4i h ARG 106 Ca 0.14 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2k4i h ARG 106 Cb 0.30 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2k4i h ARG 106 CO -0.33 0.46 0.46 0.45 -1.51 0.00 0.00 179.97 179.50 2k4i h HIS 107 N 0.72 0.69 -0.34 2.20 3.86 -0.54 -1.00 115.15 120.74 2k4i h HIS 107 Ca 0.20 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.32 2k4i h HIS 107 Cb -0.07 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 2k4i h HIS 107 CO -0.04 0.36 -0.24 -0.07 0.86 0.00 0.00 177.93 178.80 2k4i h LEU 108 N 0.68 0.68 -0.28 2.43 3.38 -0.71 -2.25 115.31 119.24 2k4i h LEU 108 Ca 0.31 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2k4i h LEU 108 Cb 0.34 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k4i h LEU 108 CO -0.10 0.90 -0.26 0.58 0.09 0.00 0.00 178.44 179.64 2k4i h VAL 109 N 0.59 1.30 0.00 1.22 2.07 -1.04 -1.53 116.25 118.86 2k4i h VAL 109 Ca 0.08 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 2k4i h VAL 109 Cb 0.72 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2k4i h VAL 109 CO 0.06 0.45 -0.16 0.00 0.02 0.00 0.00 177.57 177.93 2k4i h ALA 110 N 0.70 1.30 0.01 1.67 0.00 -1.15 0.23 119.26 122.02 2k4i h ALA 110 Ca 0.05 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 2k4i h ALA 110 Cb 0.83 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2k4i h ALA 110 CO 0.07 0.21 -1.29 0.93 0.00 0.00 0.00 179.25 179.16 2k4i h GLU 111 N 0.00 0.02 0.00 0.00 5.08 -1.24 -3.31 114.58 115.14 2k4i h GLU 111 Ca -0.00 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 2k4i h GLU 111 Cb 0.41 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2k4i h GLU 111 CO 0.02 0.83 -0.84 1.15 -1.00 0.00 0.00 179.01 179.18 2k4i h THR 112 N 0.01 0.96 -0.84 1.13 2.02 -0.81 -3.29 112.91 112.09 2k4i h THR 112 Ca -0.13 -2.44 -0.43 0.00 0.77 0.00 0.00 66.41 64.18 2k4i h THR 112 Cb 1.88 2.43 -0.26 0.00 -1.74 0.00 0.00 68.15 70.47 2k4i h THR 112 CO 0.12 0.55 0.54 0.61 0.37 0.00 0.00 175.52 177.71 2k4i n GLY 113 N 1.30 4.09 0.10 2.16 0.00 0.03 -4.19 105.19 108.68 2k4i n GLY 113 Ca -0.01 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.86 1.41 -1.19 2.61 5.66 -1.24 -4.36 114.28 116.32 2k4i n THR 114 Ca 0.50 -0.82 -0.25 0.00 -3.05 0.00 0.00 64.05 60.43 2k4i n THR 114 Cb 1.49 -0.59 0.15 0.00 -1.55 0.00 0.00 70.33 69.84 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 -2.81 5.66 -0.07 1.79 0.00 -1.26 -3.21 120.51 120.61 2k4i n ALA 115 Ca -0.34 -2.92 -0.10 0.00 0.00 0.00 0.00 53.44 50.07 2k4i n ALA 115 Cb 1.14 -1.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.05 0.35 -1.09 0.00 0.00 -1.26 -4.90 120.64 112.70 2k4i n GLU 116 Ca 0.59 0.09 -0.04 0.00 0.00 0.00 0.00 57.16 57.79 2k4i n GLU 116 Cb 1.44 -1.26 -0.03 0.00 0.00 0.00 0.00 31.44 31.59 2k4i n GLU 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2k4i n LYS 117 N -2.98 0.15 -4.18 5.31 4.81 -1.26 -5.14 118.16 114.87 2k4i n LYS 117 Ca -0.26 -0.72 -0.14 0.00 -0.87 0.00 0.00 58.31 56.32 2k4i n LYS 117 Cb 0.76 0.47 -0.11 0.00 0.02 0.00 0.00 35.03 36.17 2k4i n LYS 117 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2k4i s MET 118 N 0.01 0.84 0.96 1.64 -1.94 -1.20 -5.12 119.30 114.50 2k4i s MET 118 Ca 0.01 -1.15 -0.12 0.00 -1.71 0.00 0.00 55.69 52.72 2k4i s MET 118 Cb 0.05 -0.53 0.16 0.00 2.01 0.00 0.00 34.83 36.52 2k4i s MET 118 CO -0.01 0.08 1.09 -1.25 -0.01 0.00 0.00 175.02 174.92 2k4i s PRO 119 N -2.77 0.78 0.14 2.03 0.04 -1.26 -4.65 135.00 129.31 2k4i s PRO 119 Ca 0.05 0.65 -0.10 0.00 0.04 0.00 0.00 61.00 61.65 2k4i s PRO 119 Cb -0.03 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 2k4i s PRO 119 CO 0.00 -2.53 0.47 0.45 0.04 0.00 0.00 177.00 175.43 2k4i s SER 120 N -3.43 6.65 0.45 6.66 0.15 -1.26 -4.94 113.70 117.98 2k4i s SER 120 Ca 0.64 0.85 0.03 0.00 0.70 0.00 0.00 55.95 58.18 2k4i s SER 120 Cb -0.18 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 2k4i s SER 120 CO 0.57 0.08 0.03 0.42 1.20 0.00 0.00 173.24 175.54 2k4i s THR 121 N -1.56 1.33 0.57 6.45 -4.23 -1.26 -5.16 115.64 111.78 2k4i s THR 121 Ca 0.39 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2k4i s THR 121 Cb -0.13 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.24 2k4i s THR 121 CO 0.20 0.00 0.82 -0.44 -0.54 0.00 0.00 174.62 174.66 2k4i s SER 122 N -3.75 5.31 -0.02 3.99 0.01 -1.26 -5.10 113.70 112.88 2k4i s SER 122 Ca 0.20 0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.69 2k4i s SER 122 Cb 0.05 -1.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.11 2k4i s SER 122 CO 0.10 -1.15 -0.01 0.00 0.41 0.00 0.00 173.24 172.59 2k4i s ARG 123 N -4.85 2.78 0.19 12.44 1.70 -1.26 -5.12 118.95 124.82 2k4i s ARG 123 Ca 0.56 -0.59 -0.03 0.00 -0.47 0.00 0.00 55.73 55.19 2k4i s ARG 123 Cb -0.10 -2.66 0.05 0.00 -0.57 0.00 0.00 34.95 31.67 2k4i s ARG 123 CO 0.40 0.64 0.17 -0.35 -1.08 0.00 0.00 175.30 175.08 2k4i n PRO 124 N 1.59 -1.36 -4.34 3.89 -0.04 -1.26 -5.06 135.00 128.42 2k4i n PRO 124 Ca -0.16 -0.27 -0.30 0.00 -0.04 0.00 0.00 63.50 62.73 2k4i n PRO 124 Cb 0.53 -0.25 -0.17 0.00 -0.04 0.00 0.00 33.50 33.57 2k4i n PRO 124 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2k4i s THR 125 N -1.31 1.68 0.60 0.52 -1.32 -1.26 -5.12 115.64 109.45 2k4i s THR 125 Ca 0.11 -0.73 -0.18 0.00 -1.21 0.00 0.00 61.69 59.68 2k4i s THR 125 Cb -0.01 -1.54 -0.06 0.00 -1.51 0.00 0.00 72.50 69.39 2k4i s THR 125 CO 0.08 0.48 0.83 0.00 -2.21 0.00 0.00 174.62 173.80 2k4i n ALA 126 N 4.38 -0.24 -1.13 11.08 0.00 -1.26 -4.97 120.51 128.36 2k4i n ALA 126 Ca -0.19 -0.02 -0.29 0.00 0.00 0.00 0.00 53.44 52.95 2k4i n ALA 126 Cb 0.51 -2.03 0.20 0.00 0.00 0.00 0.00 19.45 18.13 2k4i n ALA 126 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k4i s PRO 127 N -2.60 -0.17 0.43 0.00 0.04 -1.26 -5.09 135.00 126.35 2k4i s PRO 127 Ca 0.74 0.31 0.03 0.00 0.04 0.00 0.00 61.00 62.13 2k4i s PRO 127 Cb -0.42 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2k4i s PRO 127 CO 0.49 -3.09 0.05 -1.54 0.04 0.00 0.00 177.00 172.95 2k4i s SER 128 N -3.59 3.38 0.49 6.66 1.04 -1.26 -5.13 113.70 115.30 2k4i s SER 128 Ca 0.67 -1.56 -0.22 0.00 0.48 0.00 0.00 55.95 55.32 2k4i s SER 128 Cb -0.16 0.24 -0.07 0.00 0.10 0.00 0.00 66.02 66.14 2k4i s SER 128 CO 0.57 -0.76 1.17 -0.94 0.98 0.00 0.00 173.24 174.27 2k4i s SER 129 N -3.70 5.95 -0.09 7.02 1.04 -1.26 -5.05 113.70 117.61 2k4i s SER 129 Ca 0.22 2.31 -0.26 0.00 0.48 0.00 0.00 55.95 58.70 2k4i s SER 129 Cb 0.05 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.63 2k4i s SER 129 CO 0.11 -1.07 0.60 -0.70 0.98 0.00 0.00 173.24 173.16 2k4i s GLU 130 N -2.88 0.91 0.35 4.02 2.56 -1.26 -5.16 118.70 117.23 2k4i s GLU 130 Ca 0.67 0.34 -0.19 0.00 0.00 0.00 0.00 54.97 55.80 2k4i s GLU 130 Cb -0.28 0.43 -0.10 0.00 2.00 0.00 0.00 34.13 36.18 2k4i s GLU 130 CO 0.34 -0.24 0.82 0.21 -0.56 0.00 0.00 175.26 175.83 2k4i s LYS 131 N -0.81 4.16 0.00 4.30 2.20 -1.26 -4.97 119.74 123.36 2k4i s LYS 131 Ca -0.09 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 2k4i s LYS 131 Cb -0.02 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 2k4i s LYS 131 CO 0.07 0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.60 2k4i n GLY 132 N -0.24 1.16 2.84 5.54 0.00 -1.26 -4.98 105.19 108.25 2k4i n GLY 132 Ca 0.04 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.43 -0.53 1.08 -0.02 0.00 -1.26 -5.08 107.32 100.08 2k4i s GLY 133 Ca 0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 44.72 43.88 2k4i s GLY 133 CO 0.00 3.16 0.61 1.16 0.00 0.00 0.00 173.10 178.03 2k4i n ASN 134 N 3.76 -1.68 0.00 1.64 0.23 -1.26 -5.13 115.26 112.82 2k4i n ASN 134 Ca 0.15 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 2k4i n ASN 134 Cb 0.52 -1.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.03 2k4i n ASN 134 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11