#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 0.00 -2.42 4.61 0.00 -1.26 -5.11 120.51 116.33 2k4i n ALA 3 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2k4i n ALA 3 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2k4i n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k4i s ARG 4 N -0.56 4.08 0.45 0.00 0.52 -1.26 -4.82 118.95 117.36 2k4i s ARG 4 Ca 0.00 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 2k4i s ARG 4 Cb 0.00 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.65 2k4i s ARG 4 CO 0.00 -0.91 0.00 -1.71 0.02 0.00 0.00 175.30 172.70 2k4i n ASN 5 N 7.12 -8.76 -4.45 0.23 2.85 -1.26 -4.91 115.26 106.08 2k4i n ASN 5 Ca 0.14 0.92 -0.30 0.00 -0.11 0.00 0.00 54.58 55.23 2k4i n ASN 5 Cb 0.46 -4.65 -0.13 0.00 1.24 0.00 0.00 39.78 36.70 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 -7.25 3.74 0.23 1.20 0.15 -1.26 -5.03 113.70 105.47 2k4i s SER 6 Ca 0.00 -0.48 -0.06 0.00 0.70 0.00 0.00 55.95 56.11 2k4i s SER 6 Cb 0.00 -0.55 0.21 0.00 -1.71 0.00 0.00 66.02 63.97 2k4i s SER 6 CO 0.00 0.24 1.75 0.58 1.20 0.00 0.00 173.24 177.01 2k4i h VAL 7 N 3.89 1.25 -2.98 4.45 2.07 -2.01 -3.44 116.25 119.48 2k4i h VAL 7 Ca -0.48 -0.94 -0.42 0.00 0.82 0.00 0.00 66.70 65.68 2k4i h VAL 7 Cb 1.16 0.59 0.22 0.00 -1.52 0.00 0.00 31.29 31.73 2k4i h VAL 7 CO 0.46 0.36 -0.16 0.18 0.02 0.00 0.00 177.57 178.43 2k4i n LEU 8 N -4.24 -1.76 0.00 2.57 4.77 -1.26 -5.06 117.00 112.02 2k4i n LEU 8 Ca 0.05 -0.31 -0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2k4i n LEU 8 Cb 0.26 -1.17 -0.00 0.00 -2.33 0.00 0.00 43.42 40.17 2k4i n LEU 8 CO 0.42 -3.55 -0.00 -1.14 -1.33 0.00 0.00 177.39 171.79 2k4i n ARG 9 N -4.84 1.81 0.00 3.23 3.00 -1.26 -5.01 116.66 113.60 2k4i n ARG 9 Ca 0.04 -0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2k4i n ARG 9 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 32.46 33.03 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 4.51 -0.27 0.20 5.14 0.00 -1.26 -3.29 105.19 110.20 2k4i n GLY 10 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 2k4i n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k4i h LYS 11 N 0.00 0.25 -0.29 1.61 1.57 -2.02 -2.93 116.57 114.76 2k4i h LYS 11 Ca 0.00 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 2k4i h LYS 11 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2k4i h LYS 11 CO 0.00 0.64 -0.28 0.87 -0.57 0.00 0.00 179.45 180.11 2k4i h LYS 12 N 0.21 0.58 -0.73 3.15 1.57 -2.00 -3.02 116.57 116.34 2k4i h LYS 12 Ca 0.02 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2k4i h LYS 12 Cb 0.84 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 2k4i h LYS 12 CO 0.07 0.80 0.44 0.00 -0.57 0.00 0.00 179.45 180.19 2k4i h ALA 13 N 1.19 0.97 0.60 3.86 0.00 -1.50 -0.31 119.26 124.08 2k4i h ALA 13 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2k4i h ALA 13 Cb 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k4i h ALA 13 CO 0.06 0.17 -0.44 0.22 0.00 0.00 0.00 179.25 179.26 2k4i h ASP 14 N 0.82 -1.15 -0.79 0.00 3.58 -1.55 0.21 116.42 117.55 2k4i h ASP 14 Ca 0.31 0.07 0.11 0.00 0.42 0.00 0.00 57.03 57.95 2k4i h ASP 14 Cb 0.11 0.35 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 2k4i h ASP 14 CO -0.15 -0.64 0.51 -0.33 -2.88 0.00 0.00 179.24 175.76 2k4i h GLU 15 N -1.00 0.62 -0.21 0.28 3.07 -1.53 -0.49 114.58 115.33 2k4i h GLU 15 Ca -0.08 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 2k4i h GLU 15 Cb 0.82 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2k4i h GLU 15 CO 0.04 0.41 0.01 1.25 -1.40 0.00 0.00 179.01 179.32 2k4i h LEU 16 N 0.64 0.35 0.00 1.33 7.12 -0.62 -1.93 115.31 122.19 2k4i h LEU 16 Ca 0.37 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 58.09 2k4i h LEU 16 Cb 0.57 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 2k4i h LEU 16 CO -0.14 0.55 0.00 -0.62 -0.13 0.00 0.00 178.44 178.10 2k4i n GLU 17 N -4.70 0.07 -0.00 1.25 -0.58 0.69 -3.00 120.64 114.37 2k4i n GLU 17 Ca -0.04 0.16 -0.22 0.00 -0.42 0.00 0.00 57.16 56.64 2k4i n GLU 17 Cb 0.22 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.45 2k4i n GLU 17 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2k4i h ARG 18 N 0.00 0.23 -6.48 3.49 2.43 -0.62 -3.40 114.38 110.03 2k4i h ARG 18 Ca 0.00 -0.40 -0.61 0.00 -0.81 0.00 0.00 59.98 58.16 2k4i h ARG 18 Cb 0.28 0.15 0.09 0.00 -0.42 0.00 0.00 29.97 30.07 2k4i h ARG 18 CO 0.00 1.19 0.38 -0.89 -1.51 0.00 0.00 179.97 179.14 2k4i n ILE 19 N -3.82 1.20 -4.04 1.20 5.41 -0.77 -4.82 119.36 113.71 2k4i n ILE 19 Ca -0.28 -0.30 -0.30 0.00 1.00 0.00 0.00 62.75 62.87 2k4i n ILE 19 Cb 0.93 -1.15 -0.06 0.00 -0.71 0.00 0.00 39.64 38.66 2k4i n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4i s ARG 20 N -0.72 2.94 0.53 0.38 0.52 -1.06 -1.49 118.95 120.06 2k4i s ARG 20 Ca 0.67 -0.67 0.29 0.00 -0.52 0.00 0.00 55.73 55.49 2k4i s ARG 20 Cb -0.73 -2.76 1.50 0.00 0.52 0.00 0.00 34.95 33.48 2k4i s ARG 20 CO 0.53 0.57 2.09 -0.07 0.02 0.00 0.00 175.30 178.44 2k4i h LEU 21 N 3.22 0.00 -8.48 2.53 3.38 -1.18 -1.89 115.31 112.89 2k4i h LEU 21 Ca -0.47 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.26 2k4i h LEU 21 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 2k4i h LEU 21 CO 0.67 0.10 -0.70 -0.13 0.09 0.00 0.00 178.44 178.47 2k4i s ARG 22 N -4.18 0.87 0.27 1.13 0.52 -1.26 -4.20 118.95 112.10 2k4i s ARG 22 Ca -0.03 -1.35 0.04 0.00 -0.52 0.00 0.00 55.73 53.88 2k4i s ARG 22 Cb 0.13 -0.29 0.36 0.00 0.52 0.00 0.00 34.95 35.67 2k4i s ARG 22 CO 0.57 0.00 1.64 -1.00 0.02 0.00 0.00 175.30 176.54 2k4i h PRO 23 N 2.96 0.31 -0.16 3.54 0.13 -1.95 -3.20 132.00 133.62 2k4i h PRO 23 Ca -0.36 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2k4i h PRO 23 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k4i h PRO 23 CO 0.64 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 179.53 2k4i n GLY 24 N -0.05 3.34 4.00 1.56 0.00 -1.26 -5.03 105.19 107.75 2k4i n GLY 24 Ca -0.02 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 2k4i n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4i s GLY 25 N -1.40 1.74 0.00 -0.02 0.00 -1.21 -5.03 107.32 101.39 2k4i s GLY 25 Ca 0.19 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 43.00 2k4i s GLY 25 CO 0.07 -1.28 0.42 0.28 0.00 0.00 0.00 173.10 172.58 2k4i n LYS 26 N -2.85 0.01 -2.64 2.90 5.02 -1.26 -4.86 118.16 114.47 2k4i n LYS 26 Ca 0.17 -0.42 -0.43 0.00 -2.02 0.00 0.00 58.31 55.62 2k4i n LYS 26 Cb 0.61 -0.91 -0.02 0.00 -0.02 0.00 0.00 35.03 34.68 2k4i n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k4i s LYS 27 N -0.12 4.34 0.05 1.97 1.02 -1.26 -5.00 119.74 120.74 2k4i s LYS 27 Ca 0.00 1.42 0.02 0.00 0.02 0.00 0.00 55.97 57.43 2k4i s LYS 27 Cb 0.00 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 2k4i s LYS 27 CO 0.00 -0.47 0.08 0.15 -0.92 0.00 0.00 175.35 174.19 2k4i s LYS 28 N 2.57 2.95 0.38 1.68 1.02 -1.26 -0.58 119.74 126.50 2k4i s LYS 28 Ca 0.48 -0.62 -0.28 0.00 0.02 0.00 0.00 55.97 55.57 2k4i s LYS 28 Cb -0.18 -2.77 -0.11 0.00 -0.52 0.00 0.00 37.83 34.25 2k4i s LYS 28 CO 0.14 0.59 1.49 0.71 -0.92 0.00 0.00 175.35 177.36 2k4i s TYR 29 N -1.33 2.57 0.26 3.18 2.02 -0.55 -4.88 117.35 118.62 2k4i s TYR 29 Ca 0.27 1.16 -0.12 0.00 -0.37 0.00 0.00 57.07 58.01 2k4i s TYR 29 Cb -0.12 -4.03 -0.00 0.00 -0.40 0.00 0.00 41.96 37.40 2k4i s TYR 29 CO 0.20 -3.02 0.49 0.50 -1.57 0.00 0.00 175.55 172.15 2k4i s ARG 30 N -2.11 1.60 0.45 -0.62 3.52 -1.26 -4.36 118.95 116.18 2k4i s ARG 30 Ca 0.53 -1.29 0.25 0.00 -0.13 0.00 0.00 55.73 55.09 2k4i s ARG 30 Cb -0.47 0.48 1.27 0.00 -1.56 0.00 0.00 34.95 34.67 2k4i s ARG 30 CO 0.63 -0.67 1.80 -0.07 -0.81 0.00 0.00 175.30 176.19 2k4i h LEU 31 N 2.23 0.27 -0.96 -0.88 3.38 -2.00 0.17 115.31 117.53 2k4i h LEU 31 Ca -0.26 0.05 0.17 0.00 0.09 0.00 0.00 57.88 57.93 2k4i h LEU 31 Cb 1.25 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 2k4i h LEU 31 CO 0.35 0.06 0.56 0.50 0.09 0.00 0.00 178.44 180.00 2k4i h LYS 32 N 0.24 0.72 -0.00 1.13 1.63 -1.98 0.83 116.57 119.13 2k4i h LYS 32 Ca 0.56 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 60.15 2k4i h LYS 32 Cb 1.70 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 33.15 2k4i h LYS 32 CO -0.18 0.47 -0.77 0.45 -3.45 0.00 0.00 179.45 175.98 2k4i h HIS 33 N 0.74 0.02 -0.26 1.91 3.86 -1.08 -3.00 115.15 117.35 2k4i h HIS 33 Ca 0.54 -0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.56 2k4i h HIS 33 Cb 0.79 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.26 2k4i h HIS 33 CO -0.03 0.78 -0.55 0.82 0.86 0.00 0.00 177.93 179.80 2k4i h ILE 34 N 0.01 1.29 -0.48 2.45 2.04 -0.80 -2.18 117.51 119.83 2k4i h ILE 34 Ca -0.01 -1.75 -0.09 0.00 1.00 0.00 0.00 64.86 64.01 2k4i h ILE 34 Cb 1.36 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 2k4i h ILE 34 CO 0.10 0.56 -0.05 0.58 0.00 0.00 0.00 178.15 179.35 2k4i h VAL 35 N 0.59 1.25 0.00 1.67 2.07 -1.14 -1.34 116.25 119.35 2k4i h VAL 35 Ca 0.01 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 2k4i h VAL 35 Cb 1.14 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2k4i h VAL 35 CO 0.12 0.39 -0.47 -0.25 0.02 0.00 0.00 177.57 177.38 2k4i h TRP 36 N 0.77 0.00 0.09 1.57 7.01 -1.48 -2.98 115.95 120.93 2k4i h TRP 36 Ca 0.14 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 2k4i h TRP 36 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.59 2k4i h TRP 36 CO 0.03 0.47 -0.04 0.00 -2.79 0.00 0.00 178.44 176.10 2k4i h ALA 37 N 1.53 -0.12 -1.01 2.65 0.00 -1.01 -3.19 119.26 118.11 2k4i h ALA 37 Ca -0.00 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 54.81 2k4i h ALA 37 Cb 1.06 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 2k4i h ALA 37 CO 0.06 -0.18 0.62 0.00 0.00 0.00 0.00 179.25 179.75 2k4i h ALA 38 N -0.32 1.61 0.00 0.00 0.00 -1.33 0.25 119.26 119.46 2k4i h ALA 38 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2k4i h ALA 38 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k4i h ALA 38 CO 0.02 0.07 -0.08 -0.97 0.00 0.00 0.00 179.25 178.30 2k4i h ASN 39 N 0.87 0.00 -0.17 0.00 -0.00 -1.61 -2.28 115.58 112.40 2k4i h ASN 39 Ca 0.54 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 56.68 2k4i h ASN 39 Cb 0.72 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.04 2k4i h ASN 39 CO -0.33 0.08 -0.54 0.50 -0.00 0.00 0.00 177.43 177.13 2k4i h LYS 40 N 0.00 0.66 0.65 6.67 1.63 -0.49 -2.76 116.57 122.92 2k4i h LYS 40 Ca -0.00 -0.49 -0.03 0.00 -0.85 0.00 0.00 60.65 59.28 2k4i h LYS 40 Cb 0.15 0.09 0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2k4i h LYS 40 CO 0.01 1.11 -0.31 -0.07 -3.45 0.00 0.00 179.45 176.74 2k4i h LEU 41 N 0.34 -0.73 -0.39 5.20 3.38 -1.10 0.26 115.31 122.27 2k4i h LEU 41 Ca -0.02 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2k4i h LEU 41 Cb 1.17 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 2k4i h LEU 41 CO 0.12 -0.50 -0.15 0.44 0.09 0.00 0.00 178.44 178.44 2k4i h ASP 42 N -0.91 -0.52 0.70 -0.43 3.32 -1.08 0.41 116.42 117.91 2k4i h ASP 42 Ca -0.09 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2k4i h ASP 42 Cb 0.68 0.30 0.01 0.00 0.22 0.00 0.00 39.33 40.54 2k4i h ASP 42 CO 0.15 -0.19 -0.34 -0.09 -1.72 0.00 0.00 179.24 177.05 2k4i h ARG 43 N -0.07 -0.91 -0.63 3.56 2.43 -1.41 -3.08 114.38 114.27 2k4i h ARG 43 Ca 0.19 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.56 2k4i h ARG 43 Cb 0.36 0.21 -0.10 0.00 -0.42 0.00 0.00 29.97 30.02 2k4i h ARG 43 CO -0.44 -0.59 0.03 0.74 -1.51 0.00 0.00 179.97 178.20 2k4i h PHE 44 N -1.02 0.01 0.00 2.20 0.04 -0.16 -3.45 116.94 114.56 2k4i h PHE 44 Ca -0.10 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2k4i h PHE 44 Cb 0.74 0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2k4i h PHE 44 CO -0.01 -0.15 0.00 0.41 -0.60 0.00 0.00 178.31 177.96 2k4i n GLY 45 N -1.36 0.11 3.94 -1.45 0.00 0.82 -5.08 105.19 102.17 2k4i n GLY 45 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 3.44 0.82 0.99 1.43 0.11 -4.93 118.68 120.55 2k4i s LEU 46 Ca 0.00 0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2k4i s LEU 46 Cb 0.00 -3.24 0.15 0.00 0.03 0.00 0.00 46.19 43.13 2k4i s LEU 46 CO 0.00 -0.90 1.13 0.00 0.23 0.00 0.00 176.35 176.81 2k4i s ALA 47 N -2.74 3.05 -0.12 4.21 0.00 -1.26 -2.29 121.76 122.61 2k4i s ALA 47 Ca 0.52 -1.43 0.17 0.00 0.00 0.00 0.00 51.96 51.21 2k4i s ALA 47 Cb -0.10 -2.38 -0.25 0.00 0.00 0.00 0.00 23.12 20.39 2k4i s ALA 47 CO 0.40 -1.85 0.20 -0.85 0.00 0.00 0.00 175.76 173.67 2k4i n GLU 48 N -3.23 0.90 0.15 0.00 0.28 -1.26 -4.28 120.64 113.19 2k4i n GLU 48 Ca 0.14 -0.07 0.11 0.00 -0.16 0.00 0.00 57.16 57.18 2k4i n GLU 48 Cb 0.60 -1.45 0.54 0.00 1.43 0.00 0.00 31.44 32.55 2k4i n GLU 48 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4i n SER 49 N -2.46 0.60 0.00 -1.84 2.88 -1.26 -1.40 113.62 110.14 2k4i n SER 49 Ca -0.19 0.72 0.10 0.00 -1.33 0.00 0.00 58.87 58.16 2k4i n SER 49 Cb 0.85 -0.82 0.45 0.00 -0.75 0.00 0.00 64.21 63.94 2k4i n SER 49 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k4i n LEU 50 N -2.24 0.00 0.01 2.46 4.77 -1.26 -2.29 117.00 118.45 2k4i n LEU 50 Ca 0.00 0.44 0.13 0.00 -0.03 0.00 0.00 56.01 56.55 2k4i n LEU 50 Cb 0.12 -0.44 0.35 0.00 -2.33 0.00 0.00 43.42 41.12 2k4i n LEU 50 CO 0.14 -0.14 0.60 0.18 -1.33 0.00 0.00 177.39 176.84 2k4i n LEU 51 N -1.44 0.39 -0.96 2.23 4.77 -0.49 -1.86 117.00 119.65 2k4i n LEU 51 Ca 0.06 0.19 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 2k4i n LEU 51 Cb 0.22 -0.31 0.22 0.00 -2.33 0.00 0.00 43.42 41.21 2k4i n LEU 51 CO 0.18 0.06 0.69 -1.84 -1.33 0.00 0.00 177.39 175.15 2k4i n GLU 52 N -1.60 2.29 -3.65 3.23 0.28 -0.97 -4.88 120.64 115.34 2k4i n GLU 52 Ca 0.06 -2.98 -0.19 0.00 -0.16 0.00 0.00 57.16 53.89 2k4i n GLU 52 Cb 0.35 -1.81 -0.16 0.00 1.43 0.00 0.00 31.44 31.25 2k4i n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4i s SER 53 N -2.28 1.08 0.26 -1.84 0.15 -1.24 -5.03 113.70 104.79 2k4i s SER 53 Ca 0.43 0.12 -0.02 0.00 0.70 0.00 0.00 55.95 57.18 2k4i s SER 53 Cb 0.37 0.09 0.51 0.00 -1.71 0.00 0.00 66.02 65.28 2k4i s SER 53 CO 0.04 -0.26 1.76 0.50 1.20 0.00 0.00 173.24 176.48 2k4i h LYS 54 N 8.39 0.57 -0.38 5.44 3.64 -1.91 0.23 116.57 132.56 2k4i h LYS 54 Ca -0.13 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.07 2k4i h LYS 54 Cb 1.12 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2k4i h LYS 54 CO 0.17 0.38 -0.32 1.49 -2.27 0.00 0.00 179.45 178.90 2k4i h GLU 55 N 0.59 0.84 -0.01 1.90 4.81 -1.95 -2.99 114.58 117.77 2k4i h GLU 55 Ca 0.45 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2k4i h GLU 55 Cb 0.63 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 2k4i h GLU 55 CO -0.36 1.04 -0.00 0.78 -0.73 0.00 0.00 179.01 179.73 2k4i h GLY 56 N 0.90 0.02 1.36 1.92 0.00 -1.34 -2.88 103.07 103.05 2k4i h GLY 56 Ca 0.07 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.45 2k4i h GLY 56 CO 0.08 0.01 0.25 0.00 0.00 0.00 0.00 176.54 176.89 2k4i h GLN 58 N 0.00 0.20 0.00 0.00 4.15 -1.35 -2.28 115.11 115.84 2k4i h GLN 58 Ca 0.11 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2k4i h GLN 58 Cb 0.62 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.33 2k4i h GLN 58 CO -0.00 0.77 0.00 1.17 -1.93 0.00 0.00 178.83 178.84 2k4i n LYS 59 N -3.84 0.22 -0.04 1.69 4.81 0.38 -2.66 118.16 118.72 2k4i n LYS 59 Ca -0.02 0.26 -0.22 0.00 -0.87 0.00 0.00 58.31 57.45 2k4i n LYS 59 Cb 0.64 -1.79 -0.13 0.00 0.02 0.00 0.00 35.03 33.77 2k4i n LYS 59 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2k4i n ILE 60 N -2.18 1.68 0.25 3.15 5.41 -1.08 -3.90 119.36 122.69 2k4i n ILE 60 Ca 0.05 -0.41 0.12 0.00 1.00 0.00 0.00 62.75 63.50 2k4i n ILE 60 Cb 0.36 -1.84 0.63 0.00 -0.71 0.00 0.00 39.64 38.08 2k4i n ILE 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2k4i h LEU 61 N -0.36 0.00 -0.72 1.39 3.38 -1.46 -1.70 115.31 115.84 2k4i h LEU 61 Ca -0.41 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 2k4i h LEU 61 Cb 1.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 2k4i h LEU 61 CO -0.04 0.16 -0.62 0.00 0.09 0.00 0.00 178.44 178.02 2k4i h THR 62 N 0.00 1.43 0.00 0.22 1.03 -1.66 0.26 112.91 114.19 2k4i h THR 62 Ca -0.00 -2.09 -0.17 0.00 -0.01 0.00 0.00 66.41 64.14 2k4i h THR 62 Cb 0.49 2.11 -0.03 0.00 -1.07 0.00 0.00 68.15 69.65 2k4i h THR 62 CO 0.02 0.60 -1.26 0.58 -0.01 0.00 0.00 175.52 175.46 2k4i h VAL 63 N 0.06 0.66 0.00 0.00 2.07 -1.56 -3.35 116.25 114.13 2k4i h VAL 63 Ca -0.01 -2.17 -0.12 0.00 0.82 0.00 0.00 66.70 65.22 2k4i h VAL 63 Cb 1.11 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 2k4i h VAL 63 CO 0.09 0.37 -1.24 -0.07 0.02 0.00 0.00 177.57 176.74 2k4i h LEU 64 N 0.00 0.00 0.74 2.57 3.38 -1.27 -3.28 115.31 117.45 2k4i h LEU 64 Ca -0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2k4i h LEU 64 Cb 1.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 2k4i h LEU 64 CO 0.06 0.43 -0.45 -0.78 0.09 0.00 0.00 178.44 177.79 2k4i h ASP 65 N 0.00 -1.12 0.70 -0.43 3.58 -0.59 0.25 116.42 118.81 2k4i h ASP 65 Ca -0.11 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2k4i h ASP 65 Cb 1.42 0.32 0.00 0.00 1.72 0.00 0.00 39.33 42.80 2k4i h ASP 65 CO 0.04 -0.69 0.00 -0.81 -2.88 0.00 0.00 179.24 174.90 2k4i n PRO 66 N -5.25 0.19 0.00 0.28 -0.04 -1.26 -1.96 135.00 126.95 2k4i n PRO 66 Ca -0.14 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 2k4i n PRO 66 Cb 0.46 -1.86 0.11 0.00 -0.04 0.00 0.00 33.50 32.16 2k4i n PRO 66 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2k4i n MET 67 N -2.22 1.97 0.12 0.54 1.56 -1.00 -4.45 117.12 113.64 2k4i n MET 67 Ca 0.02 -1.60 -0.16 0.00 -0.27 0.00 0.00 57.70 55.69 2k4i n MET 67 Cb 0.22 -1.47 -0.09 0.00 2.15 0.00 0.00 33.22 34.03 2k4i n MET 67 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2k4i h VAL 68 N 3.90 0.04 -0.18 1.12 2.07 0.16 0.32 116.25 123.68 2k4i h VAL 68 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2k4i h VAL 68 Cb 0.89 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2k4i h VAL 68 CO 0.00 0.00 -0.18 1.55 0.02 0.00 0.00 177.57 178.96 2k4i h PRO 69 N -0.73 0.44 -0.99 1.57 0.13 -1.80 -3.09 132.00 127.53 2k4i h PRO 69 Ca 0.00 -0.23 -0.15 0.00 -0.87 0.00 0.00 66.00 64.75 2k4i h PRO 69 Cb 0.75 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.80 2k4i h PRO 69 CO -0.28 0.80 0.19 2.41 -0.23 0.00 0.00 178.00 180.89 2k4i n THR 70 N -4.49 1.62 -4.21 1.56 -1.04 -1.16 -4.82 114.28 101.75 2k4i n THR 70 Ca -0.06 -0.58 -0.17 0.00 -2.04 0.00 0.00 64.05 61.20 2k4i n THR 70 Cb 0.39 -0.80 -0.15 0.00 -1.82 0.00 0.00 70.33 67.95 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 0.24 0.31 1.14 3.41 0.00 0.11 -4.94 107.32 107.59 2k4i s GLY 71 Ca 0.18 -0.25 -0.17 0.00 0.00 0.00 0.00 44.72 44.48 2k4i s GLY 71 CO 0.04 -0.17 0.26 -1.14 0.00 0.00 0.00 173.10 172.08 2k4i n SER 72 N 3.01 -2.24 0.25 1.64 3.41 -1.26 -4.55 113.62 113.87 2k4i n SER 72 Ca -0.14 -0.14 0.07 0.00 -0.26 0.00 0.00 58.87 58.40 2k4i n SER 72 Cb 0.57 -1.03 0.59 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.24 0.00 0.00 4.33 3.07 -1.98 -0.98 114.58 116.77 2k4i h GLU 73 Ca -0.56 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.29 2k4i h GLU 73 Cb 1.35 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.26 2k4i h GLU 73 CO 0.41 0.06 -0.05 -0.91 -1.40 0.00 0.00 179.01 177.12 2k4i h ASN 74 N 0.00 0.00 0.00 1.42 2.35 -2.01 -1.69 115.58 115.66 2k4i h ASN 74 Ca -0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 2k4i h ASN 74 Cb 0.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 2k4i h ASN 74 CO 0.01 0.05 -1.19 -0.11 -1.65 0.00 0.00 177.43 174.54 2k4i n LEU 75 N -3.70 1.85 -0.23 1.61 0.00 -0.42 -3.85 117.00 112.26 2k4i n LEU 75 Ca -0.02 0.45 0.19 0.00 0.00 0.00 0.00 56.01 56.62 2k4i n LEU 75 Cb 0.15 -0.95 0.51 0.00 0.00 0.00 0.00 43.42 43.13 2k4i n LEU 75 CO 0.28 0.19 1.22 0.50 0.00 0.00 0.00 177.39 179.58 2k4i h LYS 76 N -1.00 0.39 0.51 1.96 3.64 -1.34 -1.38 116.57 119.35 2k4i h LYS 76 Ca -0.31 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 2k4i h LYS 76 Cb 1.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2k4i h LYS 76 CO -0.19 0.26 -0.24 0.77 -2.27 0.00 0.00 179.45 177.78 2k4i h SER 77 N 0.40 -0.58 -0.75 4.20 0.02 -1.47 -2.90 113.55 112.48 2k4i h SER 77 Ca 0.46 -0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.45 2k4i h SER 77 Cb 1.14 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 2k4i h SER 77 CO -0.17 -0.31 0.49 0.25 -1.14 0.00 0.00 176.83 175.95 2k4i h LEU 78 N -0.83 0.62 -1.93 5.07 5.85 -1.45 -0.07 115.31 122.57 2k4i h LEU 78 Ca -0.07 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2k4i h LEU 78 Cb 0.58 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2k4i h LEU 78 CO 0.11 0.38 0.18 0.15 -0.34 0.00 0.00 178.44 178.93 2k4i h PHE 79 N 0.70 0.09 0.05 1.25 3.57 -1.09 0.53 116.94 122.02 2k4i h PHE 79 Ca 0.34 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.58 2k4i h PHE 79 Cb 0.40 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.12 2k4i h PHE 79 CO -0.00 0.05 -1.08 -0.91 -2.23 0.00 0.00 178.31 174.14 2k4i h ASN 80 N 0.09 0.71 0.05 0.41 -0.26 -0.84 -3.11 115.58 112.63 2k4i h ASN 80 Ca 0.12 -0.61 -0.00 0.00 -0.56 0.00 0.00 56.30 55.25 2k4i h ASN 80 Cb 0.36 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 2k4i h ASN 80 CO -0.01 1.42 -0.02 0.74 -1.06 0.00 0.00 177.43 178.49 2k4i h THR 81 N 0.27 1.26 -0.66 2.81 2.02 -1.03 -3.10 112.91 114.47 2k4i h THR 81 Ca -0.13 -1.12 0.18 0.00 0.77 0.00 0.00 66.41 66.11 2k4i h THR 81 Cb 1.74 1.99 -0.03 0.00 -1.74 0.00 0.00 68.15 70.11 2k4i h THR 81 CO 0.20 0.28 0.47 0.58 0.37 0.00 0.00 175.52 177.41 2k4i h VAL 82 N -0.57 0.71 -0.44 3.16 2.07 -1.06 0.12 116.25 120.23 2k4i h VAL 82 Ca -0.01 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 2k4i h VAL 82 Cb 0.51 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2k4i h VAL 82 CO 0.01 0.02 0.02 0.00 0.02 0.00 0.00 177.57 177.64 2k4i h VAL 84 N 0.66 1.36 0.19 0.00 2.07 -0.79 -3.14 116.25 116.61 2k4i h VAL 84 Ca 0.14 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 65.12 2k4i h VAL 84 Cb 0.39 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2k4i h VAL 84 CO 0.01 0.76 -0.09 0.40 0.02 0.00 0.00 177.57 178.67 2k4i h ILE 85 N 0.24 0.81 -0.81 4.57 1.08 -1.15 -2.35 117.51 119.90 2k4i h ILE 85 Ca -0.14 -0.02 0.09 0.00 -0.39 0.00 0.00 64.86 64.40 2k4i h ILE 85 Cb 1.78 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 36.29 2k4i h ILE 85 CO 0.20 0.01 0.47 -0.25 -0.69 0.00 0.00 178.15 177.89 2k4i h TRP 86 N -0.27 0.85 0.35 1.37 7.01 -1.50 -2.60 115.95 121.16 2k4i h TRP 86 Ca -0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2k4i h TRP 86 Cb 0.21 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 2k4i h TRP 86 CO -0.06 0.36 -0.38 0.00 -2.79 0.00 0.00 178.44 175.57 2k4i h ILE 88 N -0.77 0.54 -0.01 0.00 2.04 -1.07 0.35 117.51 118.59 2k4i h ILE 88 Ca -0.02 -0.14 -0.18 0.00 1.00 0.00 0.00 64.86 65.51 2k4i h ILE 88 Cb 0.70 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2k4i h ILE 88 CO -0.08 0.08 -0.81 0.45 0.00 0.00 0.00 178.15 177.78 2k4i h HIS 89 N 0.42 0.28 -0.32 1.37 3.86 -0.99 -3.07 115.15 116.69 2k4i h HIS 89 Ca 0.59 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 2k4i h HIS 89 Cb 1.45 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.89 2k4i h HIS 89 CO -0.00 0.92 0.00 0.00 0.86 0.00 0.00 177.93 179.71 2k4i n ALA 90 N -2.46 2.96 -1.22 2.45 0.00 0.98 -4.85 120.51 118.36 2k4i n ALA 90 Ca -0.03 -0.86 -0.08 0.00 0.00 0.00 0.00 53.44 52.47 2k4i n ALA 90 Cb 0.76 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 0.40 -1.31 -2.76 0.00 4.07 -0.69 -4.96 120.64 115.39 2k4i n GLU 91 Ca 0.13 0.71 -0.40 0.00 -0.06 0.00 0.00 57.16 57.54 2k4i n GLU 91 Cb 0.60 -4.86 -0.05 0.00 -0.06 0.00 0.00 31.44 27.06 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 -2.40 4.77 -0.08 5.31 0.41 0.19 -4.98 118.70 121.92 2k4i s GLU 92 Ca 0.00 1.44 0.05 0.00 -0.41 0.00 0.00 54.97 56.05 2k4i s GLU 92 Cb 0.00 -3.32 -0.01 0.00 -1.78 0.00 0.00 34.13 29.03 2k4i s GLU 92 CO 0.00 0.41 -0.23 0.21 -0.49 0.00 0.00 175.26 175.15 2k4i s LYS 93 N -0.73 2.82 0.06 1.61 2.20 -1.26 -3.87 119.74 120.57 2k4i s LYS 93 Ca 0.43 -0.87 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 2k4i s LYS 93 Cb -0.25 -2.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.78 2k4i s LYS 93 CO 0.31 0.29 -0.06 0.14 -0.36 0.00 0.00 175.35 175.66 2k4i s VAL 94 N 0.07 0.52 -0.03 4.02 -7.23 -1.26 -5.01 120.40 111.47 2k4i s VAL 94 Ca -0.10 -1.46 -0.11 0.00 -1.81 0.00 0.00 61.98 58.50 2k4i s VAL 94 Cb -0.16 -1.07 -0.31 0.00 0.56 0.00 0.00 36.38 35.40 2k4i s VAL 94 CO 0.06 -0.64 0.72 0.11 -0.31 0.00 0.00 175.10 175.04 2k4i h LYS 95 N 3.80 0.41 -4.99 4.82 1.79 -1.96 -3.43 116.57 117.02 2k4i h LYS 95 Ca -0.35 -0.70 -0.55 0.00 -2.18 0.00 0.00 60.65 56.87 2k4i h LYS 95 Cb 1.18 0.26 -0.13 0.00 -1.58 0.00 0.00 32.23 31.96 2k4i h LYS 95 CO 0.52 1.33 -0.49 0.16 -1.08 0.00 0.00 179.45 179.89 2k4i s ASP 96 N -7.32 2.57 0.04 0.86 1.47 -1.26 -2.58 116.67 110.45 2k4i s ASP 96 Ca -0.15 -1.76 -0.21 0.00 1.18 0.00 0.00 52.55 51.61 2k4i s ASP 96 Cb 0.05 0.61 -0.15 0.00 -0.34 0.00 0.00 42.92 43.09 2k4i s ASP 96 CO 0.87 -1.03 1.38 0.74 0.68 0.00 0.00 175.17 177.82 2k4i h THR 97 N 1.83 1.32 -0.90 2.11 2.02 -1.51 -3.01 112.91 114.78 2k4i h THR 97 Ca -0.31 -1.10 0.21 0.00 0.77 0.00 0.00 66.41 65.98 2k4i h THR 97 Cb 1.26 1.79 -0.06 0.00 -1.74 0.00 0.00 68.15 69.40 2k4i h THR 97 CO 0.48 0.32 0.60 -0.33 0.37 0.00 0.00 175.52 176.96 2k4i h GLU 98 N -0.08 0.33 -0.56 6.66 5.08 -1.88 0.17 114.58 124.30 2k4i h GLU 98 Ca 0.03 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2k4i h GLU 98 Cb 0.53 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2k4i h GLU 98 CO 0.02 0.22 -0.02 0.78 -1.00 0.00 0.00 179.01 179.01 2k4i h GLY 99 N 0.34 1.08 1.30 -3.84 0.00 -1.94 -2.88 103.07 97.12 2k4i h GLY 99 Ca 0.47 -0.81 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 2k4i h GLY 99 CO -0.16 0.75 -0.13 0.00 0.00 0.00 0.00 176.54 177.00 2k4i h ALA 100 N 0.96 0.93 0.00 3.60 0.00 -0.95 -2.59 119.26 121.20 2k4i h ALA 100 Ca 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k4i h ALA 100 Cb 0.57 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k4i h ALA 100 CO 0.03 0.62 -0.10 -0.22 0.00 0.00 0.00 179.25 179.58 2k4i h LYS 101 N 0.74 0.00 -0.00 0.00 3.64 -1.26 -0.45 116.57 119.23 2k4i h LYS 101 Ca 0.12 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2k4i h LYS 101 Cb 0.63 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2k4i h LYS 101 CO 0.04 0.10 -0.37 1.96 -2.27 0.00 0.00 179.45 178.92 2k4i h GLN 102 N 0.00 0.25 -0.10 1.90 4.20 -1.27 -1.98 115.11 118.12 2k4i h GLN 102 Ca -0.00 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 2k4i h GLN 102 Cb 0.18 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 2k4i h GLN 102 CO 0.01 0.98 0.04 0.82 -0.67 0.00 0.00 178.83 180.01 2k4i h ILE 103 N -0.36 1.15 0.03 2.54 2.04 -1.17 -1.85 117.51 119.90 2k4i h ILE 103 Ca -0.05 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2k4i h ILE 103 Cb 1.11 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 2k4i h ILE 103 CO 0.07 0.13 -0.02 0.58 0.00 0.00 0.00 178.15 178.92 2k4i h VAL 104 N -0.01 1.04 -0.30 1.67 2.07 -1.21 -1.83 116.25 117.70 2k4i h VAL 104 Ca 0.03 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.37 2k4i h VAL 104 Cb 0.18 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 2k4i h VAL 104 CO -0.00 0.06 -0.18 -0.09 0.02 0.00 0.00 177.57 177.38 2k4i h ARG 105 N -0.15 -0.14 -0.74 1.57 2.43 -1.33 -0.26 114.38 115.75 2k4i h ARG 105 Ca -0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2k4i h ARG 105 Cb 0.14 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 2k4i h ARG 105 CO 0.01 -0.09 0.44 0.00 -1.51 0.00 0.00 179.97 178.82 2k4i h ARG 106 N -0.14 0.80 -0.55 0.20 2.47 -1.25 -1.83 114.38 114.09 2k4i h ARG 106 Ca 0.16 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 2k4i h ARG 106 Cb 0.38 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 2k4i h ARG 106 CO -0.38 0.53 0.28 0.45 0.56 0.00 0.00 179.97 181.41 2k4i h HIS 107 N 0.83 0.77 0.02 3.04 3.86 -0.38 -0.88 115.15 122.41 2k4i h HIS 107 Ca 0.32 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2k4i h HIS 107 Cb 0.14 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.37 2k4i h HIS 107 CO -0.05 0.58 -0.01 -0.07 0.86 0.00 0.00 177.93 179.23 2k4i h LEU 108 N 0.73 -0.02 -1.17 2.43 3.38 -0.57 -2.79 115.31 117.30 2k4i h LEU 108 Ca 0.19 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.10 2k4i h LEU 108 Cb 0.08 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2k4i h LEU 108 CO -0.03 0.10 0.57 0.58 0.09 0.00 0.00 178.44 179.76 2k4i h VAL 109 N -0.15 1.08 0.00 1.22 2.07 -1.24 -0.32 116.25 118.92 2k4i h VAL 109 Ca -0.00 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2k4i h VAL 109 Cb 0.14 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2k4i h VAL 109 CO 0.00 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.76 2k4i h ALA 110 N 1.51 1.57 -0.83 1.67 0.00 -0.89 -0.68 119.26 121.62 2k4i h ALA 110 Ca 0.37 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.94 2k4i h ALA 110 Cb 0.16 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.75 2k4i h ALA 110 CO -0.13 0.02 0.40 -1.91 0.00 0.00 0.00 179.25 177.63 2k4i n GLU 111 N -3.93 3.21 -0.05 0.00 4.07 -0.14 -4.20 120.64 119.60 2k4i n GLU 111 Ca -0.03 -3.07 -0.03 0.00 -0.06 0.00 0.00 57.16 53.96 2k4i n GLU 111 Cb 0.10 -2.20 -0.11 0.00 -0.06 0.00 0.00 31.44 29.17 2k4i n GLU 111 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2k4i n THR 112 N -0.51 0.74 -1.28 6.31 -1.04 -0.26 -4.50 114.28 113.74 2k4i n THR 112 Ca 0.48 -0.54 -0.19 0.00 -2.04 0.00 0.00 64.05 61.75 2k4i n THR 112 Cb 1.49 -0.44 0.19 0.00 -1.82 0.00 0.00 70.33 69.75 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 2.01 4.58 1.51 3.41 0.00 -1.25 -4.31 105.19 111.14 2k4i n GLY 113 Ca -0.18 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.12 0.09 0.02 2.61 5.66 -1.26 -4.89 114.28 115.39 2k4i n THR 114 Ca 0.53 -0.62 -0.16 0.00 -3.05 0.00 0.00 64.05 60.75 2k4i n THR 114 Cb 1.52 0.76 -0.14 0.00 -1.55 0.00 0.00 70.33 70.93 2k4i n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4i h ALA 115 N 0.60 0.47 -0.09 1.79 0.00 -1.80 -3.38 119.26 116.86 2k4i h ALA 115 Ca -0.43 -1.30 -0.04 0.00 0.00 0.00 0.00 54.91 53.13 2k4i h ALA 115 Cb 1.51 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 2k4i h ALA 115 CO -0.14 1.33 -0.36 0.39 0.00 0.00 0.00 179.25 180.47 2k4i n GLU 116 N -3.34 1.65 -0.89 0.00 -0.58 -1.26 -4.65 120.64 111.57 2k4i n GLU 116 Ca -0.21 -3.22 -0.08 0.00 -0.42 0.00 0.00 57.16 53.23 2k4i n GLU 116 Cb 1.05 -1.66 0.20 0.00 -0.57 0.00 0.00 31.44 30.45 2k4i n GLU 116 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2k4i n LYS 117 N -1.13 1.92 -3.02 3.49 4.76 -1.26 -4.99 118.16 117.92 2k4i n LYS 117 Ca 0.22 -3.16 -0.15 0.00 -2.87 0.00 0.00 58.31 52.35 2k4i n LYS 117 Cb 0.78 -1.88 0.02 0.00 -1.84 0.00 0.00 35.03 32.10 2k4i n LYS 117 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2k4i n MET 118 N -1.12 -2.22 -2.11 1.97 0.00 -1.26 -4.86 117.12 107.51 2k4i n MET 118 Ca 0.38 1.92 -0.43 0.00 0.00 0.00 0.00 57.70 59.57 2k4i n MET 118 Cb 1.15 -4.82 -0.03 0.00 0.00 0.00 0.00 33.22 29.53 2k4i n MET 118 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2k4i s PRO 119 N -2.63 3.74 -0.17 2.12 0.04 -1.26 -4.99 135.00 131.84 2k4i s PRO 119 Ca 0.26 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.92 2k4i s PRO 119 Cb -0.06 -4.05 0.02 0.00 0.04 0.00 0.00 34.50 30.45 2k4i s PRO 119 CO 0.80 -1.37 -0.16 -1.54 0.04 0.00 0.00 177.00 174.77 2k4i s SER 120 N 4.42 2.97 0.33 6.66 1.04 -1.26 -5.12 113.70 122.73 2k4i s SER 120 Ca 0.72 -0.62 0.10 0.00 0.48 0.00 0.00 55.95 56.63 2k4i s SER 120 Cb -0.24 -1.30 -0.06 0.00 0.10 0.00 0.00 66.02 64.51 2k4i s SER 120 CO 0.30 -0.05 -0.12 0.42 0.98 0.00 0.00 173.24 174.77 2k4i s THR 121 N 1.40 2.26 0.51 2.02 -4.23 -1.26 -5.16 115.64 111.17 2k4i s THR 121 Ca 0.04 -2.24 0.05 0.00 -1.18 0.00 0.00 61.69 58.36 2k4i s THR 121 Cb -0.13 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.15 2k4i s THR 121 CO -0.11 -0.25 0.30 -0.44 -0.54 0.00 0.00 174.62 173.58 2k4i s SER 122 N -3.58 4.55 -0.65 3.99 0.01 -1.26 -5.10 113.70 111.66 2k4i s SER 122 Ca 0.32 -1.24 0.05 0.00 1.31 0.00 0.00 55.95 56.38 2k4i s SER 122 Cb 0.01 0.20 0.18 0.00 0.21 0.00 0.00 66.02 66.62 2k4i s SER 122 CO 0.16 -0.93 0.51 0.54 0.41 0.00 0.00 173.24 173.93 2k4i n ARG 123 N -1.58 1.70 -2.26 12.44 1.74 -1.26 -5.10 116.66 122.35 2k4i n ARG 123 Ca -0.04 -4.32 -0.38 0.00 -0.77 0.00 0.00 57.85 52.34 2k4i n ARG 123 Cb 0.65 -2.18 -0.02 0.00 -1.02 0.00 0.00 32.46 29.89 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 -1.41 3.96 -0.29 5.56 0.04 -1.26 -5.04 135.00 136.57 2k4i s PRO 124 Ca 0.28 1.85 -0.00 0.00 0.04 0.00 0.00 61.00 63.17 2k4i s PRO 124 Cb -0.00 -2.61 0.14 0.00 0.04 0.00 0.00 34.50 32.07 2k4i s PRO 124 CO -0.15 -0.40 0.30 0.99 0.04 0.00 0.00 177.00 177.78 2k4i s THR 125 N -1.43 -0.42 -0.46 1.26 2.01 -1.26 -5.05 115.64 110.28 2k4i s THR 125 Ca 0.59 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 62.17 2k4i s THR 125 Cb -0.31 -0.97 0.21 0.00 0.01 0.00 0.00 72.50 71.44 2k4i s THR 125 CO 0.38 -0.44 0.88 0.00 -0.69 0.00 0.00 174.62 174.76 2k4i n ALA 126 N 5.32 -2.30 -1.89 7.40 0.00 -1.26 -5.15 120.51 122.62 2k4i n ALA 126 Ca -0.02 -0.84 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 2k4i n ALA 126 Cb 0.47 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 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 0.78 4.43 0.12 0.00 0.04 -1.26 -5.03 135.00 134.08 2k4i s PRO 127 Ca 0.29 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.32 2k4i s PRO 127 Cb 0.10 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 2k4i s PRO 127 CO -0.11 -0.14 0.38 -1.12 0.04 0.00 0.00 177.00 176.05 2k4i s SER 128 N -0.13 6.53 0.58 6.66 0.01 -1.26 -5.06 113.70 121.03 2k4i s SER 128 Ca 0.52 0.64 -0.20 0.00 1.31 0.00 0.00 55.95 58.22 2k4i s SER 128 Cb -0.36 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2k4i s SER 128 CO 0.43 0.08 1.32 -0.94 0.41 0.00 0.00 173.24 174.55 2k4i s SER 129 N -2.24 5.05 -0.19 2.44 1.04 -1.26 -5.03 113.70 113.51 2k4i s SER 129 Ca 0.39 2.69 -0.16 0.00 0.48 0.00 0.00 55.95 59.34 2k4i s SER 129 Cb -0.12 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.42 2k4i s SER 129 CO 0.22 -1.71 0.49 -1.83 0.98 0.00 0.00 173.24 171.39 2k4i s GLU 130 N -3.09 0.56 -0.30 4.02 -1.05 -1.26 -5.15 118.70 112.43 2k4i s GLU 130 Ca 0.76 0.71 -0.15 0.00 -0.15 0.00 0.00 54.97 56.14 2k4i s GLU 130 Cb -0.39 0.24 0.16 0.00 -0.44 0.00 0.00 34.13 33.70 2k4i s GLU 130 CO 0.44 -0.08 0.98 -1.59 0.95 0.00 0.00 175.26 175.95 2k4i s LYS 131 N 0.43 0.33 0.00 -4.83 0.00 -1.26 -5.15 119.74 109.26 2k4i s LYS 131 Ca -0.01 0.73 0.00 0.00 0.00 0.00 0.00 55.97 56.68 2k4i s LYS 131 Cb -0.04 0.33 0.00 0.00 0.00 0.00 0.00 37.83 38.12 2k4i s LYS 131 CO -0.01 -0.10 0.00 0.41 0.00 0.00 0.00 175.35 175.65 2k4i n GLY 132 N 4.56 0.17 0.00 0.59 0.00 -1.26 -5.12 105.19 104.13 2k4i n GLY 132 Ca -0.12 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 0.18 3.54 -0.02 0.00 -1.26 -5.06 105.19 102.57 2k4i n GLY 133 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 -4.36 0.00 1.61 5.03 -1.26 -5.35 115.26 110.92 2k4i n ASN 134 Ca 0.00 -0.84 0.03 0.00 0.87 0.00 0.00 54.58 54.64 2k4i n ASN 134 Cb 0.00 -4.25 0.19 0.00 -1.02 0.00 0.00 39.78 34.70 2k4i n ASN 134 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43