#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k62 n PHE 2 N 0.00 0.00 -1.91 0.00 7.35 -1.26 -4.99 117.46 116.65 2k62 n PHE 2 Ca 0.00 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.32 2k62 n PHE 2 Cb 0.00 0.00 0.04 0.00 0.35 0.00 0.00 39.48 39.87 2k62 n PHE 2 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k62 s SER 3 N -0.93 5.12 0.00 -2.13 0.01 -1.26 -4.89 113.70 109.63 2k62 s SER 3 Ca 0.00 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.79 2k62 s SER 3 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2k62 s SER 3 CO 0.00 -1.65 0.00 0.61 0.41 0.00 0.00 173.24 172.61 2k62 n GLY 4 N 0.66 1.45 3.60 3.44 0.00 -0.02 -4.97 105.19 109.35 2k62 n GLY 4 Ca 0.13 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 2k62 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k62 s THR 5 N -1.72 5.16 -0.05 2.61 2.01 -1.26 -1.46 115.64 120.93 2k62 s THR 5 Ca 0.00 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.17 2k62 s THR 5 Cb 0.00 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 2k62 s THR 5 CO 0.00 0.31 -0.20 0.26 -0.69 0.00 0.00 174.62 174.29 2k62 s TRP 6 N 1.40 2.00 -0.44 4.92 0.52 0.32 -4.64 118.94 123.01 2k62 s TRP 6 Ca 0.07 -0.57 -0.15 0.00 0.02 0.00 0.00 56.10 55.47 2k62 s TRP 6 Cb -0.15 -1.33 0.04 0.00 -1.15 0.00 0.00 33.47 30.89 2k62 s TRP 6 CO 0.07 -0.17 0.36 -1.14 0.02 0.00 0.00 176.95 176.08 2k62 s GLN 7 N -0.08 2.98 0.07 4.98 2.00 0.03 -1.18 119.66 128.46 2k62 s GLN 7 Ca -0.03 -1.15 -0.25 0.00 -2.00 0.00 0.00 55.36 51.93 2k62 s GLN 7 Cb -0.12 -4.05 -0.06 0.00 0.80 0.00 0.00 33.01 29.58 2k62 s GLN 7 CO 0.02 -0.89 0.77 0.14 -0.50 0.00 0.00 175.29 174.83 2k62 s VAL 8 N 1.71 4.66 -0.21 1.34 -7.23 -1.26 0.03 120.40 119.43 2k62 s VAL 8 Ca 0.05 1.64 -0.09 0.00 -1.81 0.00 0.00 61.98 61.77 2k62 s VAL 8 Cb -0.21 -4.12 0.08 0.00 0.56 0.00 0.00 36.38 32.69 2k62 s VAL 8 CO 0.09 0.40 0.48 -0.72 -0.31 0.00 0.00 175.10 175.03 2k62 s TYR 9 N -0.28 -0.84 -0.01 2.82 1.13 0.69 -4.73 117.35 116.13 2k62 s TYR 9 Ca 0.38 1.63 -0.30 0.00 -1.41 0.00 0.00 57.07 57.37 2k62 s TYR 9 Cb -0.21 0.40 0.10 0.00 -1.10 0.00 0.00 41.96 41.15 2k62 s TYR 9 CO 0.24 -0.47 1.07 0.00 -2.51 0.00 0.00 175.55 173.88 2k62 s ALA 10 N 2.14 -1.93 0.00 9.51 0.00 -1.26 -3.85 121.76 126.37 2k62 s ALA 10 Ca -0.06 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2k62 s ALA 10 Cb -0.10 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2k62 s ALA 10 CO -0.14 -0.84 0.00 1.04 0.00 0.00 0.00 175.76 175.81 2k62 n GLN 11 N -0.32 0.00 -2.05 0.00 6.02 -1.26 -5.01 117.38 114.75 2k62 n GLN 11 Ca -0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.51 2k62 n GLN 11 Cb 0.61 -0.19 -0.03 0.00 1.02 0.00 0.00 30.24 31.65 2k62 n GLN 11 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2k62 s GLU 12 N 0.00 4.15 -0.56 -1.09 8.01 -1.26 -2.14 118.70 125.80 2k62 s GLU 12 Ca 0.00 2.09 0.00 0.00 0.01 0.00 0.00 54.97 57.07 2k62 s GLU 12 Cb 0.00 -3.97 0.00 0.00 -4.31 0.00 0.00 34.13 25.85 2k62 s GLU 12 CO 0.00 -0.88 0.00 0.09 0.01 0.00 0.00 175.26 174.48 2k62 n ASN 13 N 7.22 -4.21 0.14 -0.19 3.02 -1.26 -4.16 115.26 115.82 2k62 n ASN 13 Ca 0.17 0.13 -0.07 0.00 -0.03 0.00 0.00 54.58 54.78 2k62 n ASN 13 Cb 0.43 -2.18 -0.03 0.00 -0.61 0.00 0.00 39.78 37.39 2k62 n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2k62 h TYR 14 N 0.00 -0.47 0.00 3.10 3.20 -1.82 -2.54 116.97 118.43 2k62 h TYR 14 Ca -0.11 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2k62 h TYR 14 Cb 0.54 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2k62 h TYR 14 CO 0.27 -0.26 0.00 0.39 -1.64 0.00 0.00 178.16 176.92 2k62 n GLU 15 N -3.35 0.73 0.14 1.82 1.02 -1.26 -2.76 120.64 116.97 2k62 n GLU 15 Ca -0.05 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.85 2k62 n GLU 15 Cb 0.18 -1.03 -0.15 0.00 -0.02 0.00 0.00 31.44 30.41 2k62 n GLU 15 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2k62 h GLU 16 N 0.00 0.54 0.00 3.49 4.57 -1.84 -3.38 114.58 117.96 2k62 h GLU 16 Ca 0.00 -0.90 0.00 0.00 -1.18 0.00 0.00 59.36 57.28 2k62 h GLU 16 Cb 0.00 0.33 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2k62 h GLU 16 CO 0.00 1.43 0.00 0.34 -1.18 0.00 0.00 179.01 179.60 2k62 n PHE 17 N -3.72 0.00 0.22 0.92 7.35 -1.19 -4.69 117.46 116.34 2k62 n PHE 17 Ca -0.16 -0.24 -0.15 0.00 -0.76 0.00 0.00 57.45 56.13 2k62 n PHE 17 Cb 1.09 -0.02 -0.07 0.00 0.35 0.00 0.00 39.48 40.82 2k62 n PHE 17 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2k62 h LEU 18 N 0.00 -0.80 -0.91 -2.13 3.38 -1.69 0.05 115.31 113.21 2k62 h LEU 18 Ca 0.00 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2k62 h LEU 18 Cb 0.33 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2k62 h LEU 18 CO 0.00 -0.44 -0.43 0.11 0.09 0.00 0.00 178.44 177.77 2k62 h LYS 19 N -0.66 0.00 0.00 1.13 1.57 -1.82 -2.21 116.57 114.57 2k62 h LYS 19 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2k62 h LYS 19 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2k62 h LYS 19 CO -0.03 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 2k62 h ALA 20 N 1.57 1.00 -2.07 3.86 0.00 -1.77 -3.32 119.26 118.53 2k62 h ALA 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k62 h ALA 20 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k62 h ALA 20 CO 0.06 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.20 2k62 n LEU 21 N -2.90 1.49 -1.22 0.00 7.94 -0.02 -4.92 117.00 117.36 2k62 n LEU 21 Ca 0.03 0.11 -0.03 0.00 -1.11 0.00 0.00 56.01 55.01 2k62 n LEU 21 Cb 0.43 -0.15 -0.03 0.00 0.53 0.00 0.00 43.42 44.19 2k62 n LEU 21 CO 0.30 -0.15 0.26 0.00 -1.11 0.00 0.00 177.39 176.69 2k62 n ALA 22 N -1.20 3.27 -2.80 1.96 0.00 -1.15 -5.09 120.51 115.51 2k62 n ALA 22 Ca 0.00 -1.27 -0.42 0.00 0.00 0.00 0.00 53.44 51.75 2k62 n ALA 22 Cb 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 2k62 n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k62 s LEU 23 N -0.14 5.01 -0.06 0.00 1.02 -0.86 -4.93 118.68 118.73 2k62 s LEU 23 Ca 0.12 -1.09 -0.00 0.00 0.02 0.00 0.00 54.13 53.17 2k62 s LEU 23 Cb 0.14 -2.08 0.05 0.00 0.02 0.00 0.00 46.19 44.32 2k62 s LEU 23 CO -0.06 -0.46 1.74 -0.81 0.02 0.00 0.00 176.35 176.78 2k62 n PRO 24 N 5.06 1.14 0.00 1.29 -0.04 -1.26 -4.35 135.00 136.84 2k62 n PRO 24 Ca -0.11 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 2k62 n PRO 24 Cb 0.45 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2k62 n PRO 24 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k62 n GLU 25 N 1.01 0.00 -0.33 0.54 1.02 -1.26 -4.62 120.64 117.00 2k62 n GLU 25 Ca 0.06 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.25 2k62 n GLU 25 Cb 0.54 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.20 2k62 n GLU 25 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k62 h ASP 26 N 0.00 0.91 0.00 1.62 3.58 -1.99 -1.73 116.42 118.81 2k62 h ASP 26 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k62 h ASP 26 Cb 0.00 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2k62 h ASP 26 CO 0.00 0.54 0.00 0.18 -2.88 0.00 0.00 179.24 177.08 2k62 n LEU 27 N -4.54 0.00 -0.28 2.28 4.77 -1.26 -3.17 117.00 114.80 2k62 n LEU 27 Ca 0.16 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 2k62 n LEU 27 Cb 0.28 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 2k62 n LEU 27 CO 0.30 0.00 1.06 0.40 -1.33 0.00 0.00 177.39 177.82 2k62 h ILE 28 N 0.00 1.26 -0.20 -0.08 2.04 -1.70 -0.64 117.51 118.18 2k62 h ILE 28 Ca 0.00 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 2k62 h ILE 28 Cb 0.00 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2k62 h ILE 28 CO 0.00 0.33 0.04 0.11 0.00 0.00 0.00 178.15 178.63 2k62 h LYS 29 N 1.14 0.29 0.04 2.37 1.79 -1.79 -1.42 116.57 118.98 2k62 h LYS 29 Ca 0.26 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2k62 h LYS 29 Cb 0.21 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2k62 h LYS 29 CO -0.02 0.28 -0.02 1.98 -1.08 0.00 0.00 179.45 180.59 2k62 h MET 30 N 0.29 -0.05 -0.80 3.15 4.05 -1.62 -3.29 114.93 116.66 2k62 h MET 30 Ca 0.07 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.59 2k62 h MET 30 Cb 0.13 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.87 2k62 h MET 30 CO -0.00 0.59 0.45 0.00 0.23 0.00 0.00 176.91 178.18 2k62 h ALA 31 N -0.19 1.14 0.00 0.39 0.00 -0.96 -0.22 119.26 119.42 2k62 h ALA 31 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k62 h ALA 31 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k62 h ALA 31 CO 0.01 0.08 0.00 0.07 0.00 0.00 0.00 179.25 179.40 2k62 h ARG 32 N 0.76 0.00 -0.29 0.00 0.11 -1.40 -2.03 114.38 111.54 2k62 h ARG 32 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 2k62 h ARG 32 Cb 0.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2k62 h ARG 32 CO -0.25 0.00 0.00 -3.47 0.10 0.00 0.00 179.97 176.35 2k62 n ASP 33 N -2.84 3.00 -4.57 0.08 2.03 -0.14 -4.85 116.55 109.27 2k62 n ASP 33 Ca -0.01 -1.88 -0.38 0.00 0.52 0.00 0.00 54.79 53.05 2k62 n ASP 33 Cb 0.19 -0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2k62 n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2k62 s ILE 34 N -1.26 3.86 -0.54 5.18 -1.09 -0.76 -4.83 121.20 121.75 2k62 s ILE 34 Ca 0.29 -0.93 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 2k62 s ILE 34 Cb 0.17 -4.88 0.17 0.00 -1.58 0.00 0.00 42.46 36.34 2k62 s ILE 34 CO 0.24 -1.73 0.41 0.29 -1.23 0.00 0.00 174.94 172.92 2k62 n LYS 35 N 8.75 0.92 -3.24 2.79 5.02 -1.26 -5.04 118.16 126.10 2k62 n LYS 35 Ca 0.38 -3.76 -0.27 0.00 -2.02 0.00 0.00 58.31 52.64 2k62 n LYS 35 Cb 0.49 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 2k62 n LYS 35 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k62 s PRO 36 N -0.63 3.57 -0.25 1.97 0.04 -1.26 -4.99 135.00 133.45 2k62 s PRO 36 Ca 0.29 -0.09 -0.27 0.00 0.04 0.00 0.00 61.00 60.98 2k62 s PRO 36 Cb 0.00 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.94 2k62 s PRO 36 CO -0.19 0.13 0.97 0.42 0.04 0.00 0.00 177.00 178.36 2k62 s ILE 37 N -2.27 4.72 -0.46 0.56 1.01 -1.26 -4.21 121.20 119.29 2k62 s ILE 37 Ca 0.43 1.82 -0.25 0.00 0.00 0.00 0.00 60.65 62.65 2k62 s ILE 37 Cb -0.10 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 38.14 2k62 s ILE 37 CO 0.34 -0.18 0.89 -0.69 0.00 0.00 0.00 174.94 175.30 2k62 s VAL 38 N 3.12 4.52 -0.25 2.92 1.01 -0.32 -4.47 120.40 126.93 2k62 s VAL 38 Ca 0.41 0.67 -0.06 0.00 0.00 0.00 0.00 61.98 62.99 2k62 s VAL 38 Cb -0.15 -4.40 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 2k62 s VAL 38 CO 0.08 -0.80 0.04 -0.70 0.00 0.00 0.00 175.10 173.72 2k62 s GLU 39 N 3.62 3.52 -0.14 2.72 -6.30 -1.08 -0.52 118.70 120.51 2k62 s GLU 39 Ca 0.35 -0.56 0.00 0.00 -2.50 0.00 0.00 54.97 52.27 2k62 s GLU 39 Cb -0.11 -3.24 -0.01 0.00 0.00 0.00 0.00 34.13 30.77 2k62 s GLU 39 CO 0.25 -0.22 -0.14 0.42 0.02 0.00 0.00 175.26 175.59 2k62 s ILE 40 N 1.57 2.89 0.19 -3.70 1.01 -0.54 -1.44 121.20 121.17 2k62 s ILE 40 Ca 0.06 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.04 2k62 s ILE 40 Cb -0.15 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 2k62 s ILE 40 CO 0.02 0.52 -0.06 -1.10 0.00 0.00 0.00 174.94 174.31 2k62 s GLN 41 N 0.56 1.19 -0.07 2.79 -0.21 0.08 -0.84 119.66 123.17 2k62 s GLN 41 Ca -0.09 -1.55 -0.03 0.00 0.02 0.00 0.00 55.36 53.71 2k62 s GLN 41 Cb -0.16 -0.64 0.04 0.00 1.00 0.00 0.00 33.01 33.25 2k62 s GLN 41 CO 0.04 0.01 0.16 -1.14 -2.12 0.00 0.00 175.29 172.23 2k62 s GLN 42 N -3.79 0.09 -1.12 2.91 0.74 -1.26 0.35 119.66 117.58 2k62 s GLN 42 Ca 0.22 0.43 -0.06 0.00 0.05 0.00 0.00 55.36 55.99 2k62 s GLN 42 Cb 0.04 -0.19 0.28 0.00 1.10 0.00 0.00 33.01 34.24 2k62 s GLN 42 CO 0.04 -0.19 1.43 0.36 -0.55 0.00 0.00 175.29 176.39 2k62 n LYS 43 N 4.41 4.10 0.00 1.67 2.85 -0.53 -4.84 118.16 125.82 2k62 n LYS 43 Ca -0.23 -4.39 0.00 0.00 -1.05 0.00 0.00 58.31 52.65 2k62 n LYS 43 Cb 0.51 -2.59 0.00 0.00 -0.65 0.00 0.00 35.03 32.30 2k62 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k62 n GLY 44 N 1.95 2.21 0.78 2.58 0.00 -1.26 -3.62 105.19 107.83 2k62 n GLY 44 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2k62 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k62 n ASP 45 N 4.17 1.12 -4.66 1.61 5.68 -1.26 -5.03 116.55 118.19 2k62 n ASP 45 Ca 0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.87 2k62 n ASP 45 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 2k62 n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2k62 s ASP 46 N -4.50 6.61 0.05 -1.12 2.15 -1.24 -3.59 116.67 115.04 2k62 s ASP 46 Ca 0.00 2.25 -0.23 0.00 0.43 0.00 0.00 52.55 55.00 2k62 s ASP 46 Cb 0.00 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 40.03 2k62 s ASP 46 CO 0.00 -0.97 0.69 -0.36 -0.17 0.00 0.00 175.17 174.35 2k62 s PHE 47 N 4.20 3.76 -0.23 -5.34 0.08 0.58 -1.46 117.98 119.57 2k62 s PHE 47 Ca 0.75 1.39 -0.01 0.00 0.12 0.00 0.00 56.93 59.18 2k62 s PHE 47 Cb -0.34 -2.70 0.02 0.00 -0.57 0.00 0.00 43.02 39.44 2k62 s PHE 47 CO 0.31 0.38 -0.09 0.08 -0.10 0.00 0.00 175.22 175.80 2k62 s VAL 48 N -0.43 2.71 -0.10 -0.44 1.01 0.16 -1.88 120.40 121.43 2k62 s VAL 48 Ca 0.34 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2k62 s VAL 48 Cb -0.20 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2k62 s VAL 48 CO 0.21 0.27 -0.13 -0.69 0.00 0.00 0.00 175.10 174.76 2k62 s VAL 49 N 1.32 3.09 -0.05 2.92 1.01 0.16 -0.74 120.40 128.11 2k62 s VAL 49 Ca 0.01 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2k62 s VAL 49 Cb -0.16 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 2k62 s VAL 49 CO -0.06 0.55 -0.19 0.42 0.00 0.00 0.00 175.10 175.82 2k62 s THR 50 N -0.11 1.59 -0.06 3.92 -4.23 -0.52 -0.05 115.64 116.17 2k62 s THR 50 Ca -0.01 -0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 59.69 2k62 s THR 50 Cb -0.14 -1.37 0.03 0.00 1.34 0.00 0.00 72.50 72.37 2k62 s THR 50 CO 0.04 0.45 0.04 -0.44 -0.54 0.00 0.00 174.62 174.17 2k62 s SER 51 N 0.10 1.42 -0.31 3.99 0.01 -1.16 -2.64 113.70 115.11 2k62 s SER 51 Ca -0.07 -0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 2k62 s SER 51 Cb -0.13 -0.27 0.04 0.00 0.21 0.00 0.00 66.02 65.87 2k62 s SER 51 CO 0.03 -0.23 0.04 -0.54 0.41 0.00 0.00 173.24 172.95 2k62 s LYS 52 N 2.08 2.55 0.40 12.44 3.01 -1.26 -3.21 119.74 135.75 2k62 s LYS 52 Ca 0.05 -1.20 0.08 0.00 -1.01 0.00 0.00 55.97 53.88 2k62 s LYS 52 Cb -0.12 -3.30 -0.04 0.00 -1.01 0.00 0.00 37.83 33.36 2k62 s LYS 52 CO -0.04 -0.63 0.24 0.95 0.51 0.00 0.00 175.35 176.38 2k62 s THR 53 N 1.33 2.54 -1.57 2.17 -4.23 -0.20 -4.50 115.64 111.17 2k62 s THR 53 Ca -0.03 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 2k62 s THR 53 Cb -0.19 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.65 2k62 s THR 53 CO 0.01 -0.03 0.61 -0.81 -0.54 0.00 0.00 174.62 173.85 2k62 n PRO 54 N -1.32 0.77 0.00 3.99 -0.04 -1.26 -3.68 135.00 133.46 2k62 n PRO 54 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2k62 n PRO 54 Cb 0.63 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 2k62 n PRO 54 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2k62 n ARG 55 N -0.24 0.00 -4.20 0.54 3.00 -1.26 -5.13 116.66 109.37 2k62 n ARG 55 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 2k62 n ARG 55 Cb 0.08 -0.36 -0.10 0.00 0.00 0.00 0.00 32.46 32.08 2k62 n ARG 55 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2k62 s GLN 56 N -1.00 0.92 -0.24 -0.14 1.11 -1.24 -5.14 119.66 113.93 2k62 s GLN 56 Ca 0.00 -1.30 -0.05 0.00 0.01 0.00 0.00 55.36 54.02 2k62 s GLN 56 Cb 0.00 -0.49 0.12 0.00 -1.01 0.00 0.00 33.01 31.63 2k62 s GLN 56 CO 0.00 0.06 0.47 0.99 0.01 0.00 0.00 175.29 176.81 2k62 s THR 57 N -3.01 -0.74 0.07 -0.19 2.01 -1.26 -1.04 115.64 111.48 2k62 s THR 57 Ca 0.11 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 2k62 s THR 57 Cb 0.01 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 2k62 s THR 57 CO -0.01 -0.00 0.02 0.54 -0.69 0.00 0.00 174.62 174.48 2k62 s VAL 58 N 2.67 0.19 -0.12 3.82 0.11 -1.20 -5.04 120.40 120.83 2k62 s VAL 58 Ca 0.05 -1.74 0.01 0.00 -2.93 0.00 0.00 61.98 57.37 2k62 s VAL 58 Cb -0.13 -1.60 0.02 0.00 -1.53 0.00 0.00 36.38 33.13 2k62 s VAL 58 CO -0.16 -0.84 -0.15 -0.89 -3.33 0.00 0.00 175.10 169.73 2k62 s THR 59 N -3.94 1.53 0.08 5.04 2.01 -1.26 -2.98 115.64 116.13 2k62 s THR 59 Ca 0.10 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.38 2k62 s THR 59 Cb 0.07 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 2k62 s THR 59 CO -0.08 0.45 0.35 0.20 -0.69 0.00 0.00 174.62 174.85 2k62 s ASN 60 N 1.07 6.53 -0.23 3.53 -0.87 0.92 -4.81 114.94 121.08 2k62 s ASN 60 Ca -0.05 0.63 -0.03 0.00 -1.57 0.00 0.00 52.86 51.84 2k62 s ASN 60 Cb -0.15 -2.11 0.12 0.00 -0.02 0.00 0.00 41.25 39.09 2k62 s ASN 60 CO -0.03 0.15 0.31 -0.44 -2.57 0.00 0.00 177.10 174.52 2k62 s SER 61 N -2.03 0.71 -0.05 -1.22 0.01 -1.24 -0.66 113.70 109.21 2k62 s SER 61 Ca 0.35 0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.67 2k62 s SER 61 Cb -0.13 0.81 0.02 0.00 0.21 0.00 0.00 66.02 66.93 2k62 s SER 61 CO 0.20 -0.31 -0.07 0.72 0.41 0.00 0.00 173.24 174.20 2k62 s PHE 62 N 2.46 0.95 -0.09 2.43 -0.71 -0.79 -4.42 117.98 117.81 2k62 s PHE 62 Ca 0.10 -0.30 -0.16 0.00 -1.04 0.00 0.00 56.93 55.53 2k62 s PHE 62 Cb -0.16 -0.78 -0.05 0.00 -1.21 0.00 0.00 43.02 40.83 2k62 s PHE 62 CO -0.14 -0.21 0.40 0.99 -1.34 0.00 0.00 175.22 174.91 2k62 s THR 63 N 0.84 5.16 -0.04 -4.49 2.01 -1.26 -0.31 115.64 117.56 2k62 s THR 63 Ca -0.12 0.80 -0.30 0.00 0.31 0.00 0.00 61.69 62.38 2k62 s THR 63 Cb -0.15 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 2k62 s THR 63 CO 0.01 0.44 1.32 -0.76 -0.69 0.00 0.00 174.62 174.94 2k62 s LEU 64 N -0.06 4.29 0.00 4.42 1.43 -1.24 -2.64 118.68 124.89 2k62 s LEU 64 Ca 0.23 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2k62 s LEU 64 Cb -0.15 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2k62 s LEU 64 CO 0.10 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 176.61 2k62 n GLY 65 N 3.55 0.51 3.07 -3.19 0.00 0.07 -4.98 105.19 104.23 2k62 n GLY 65 Ca 0.12 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 2k62 n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k62 s LYS 66 N -0.95 0.53 -0.01 1.61 2.20 -1.08 -5.04 119.74 117.01 2k62 s LYS 66 Ca 0.00 -0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 54.38 2k62 s LYS 66 Cb 0.00 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 2k62 s LYS 66 CO 0.00 -0.11 1.12 -2.00 -0.36 0.00 0.00 175.35 174.00 2k62 s GLU 67 N -2.92 4.43 0.14 4.03 2.12 -1.26 -4.01 118.70 121.23 2k62 s GLU 67 Ca -0.02 1.60 -0.04 0.00 0.36 0.00 0.00 54.97 56.87 2k62 s GLU 67 Cb 0.01 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 2k62 s GLU 67 CO -0.06 -0.28 0.15 0.00 -0.54 0.00 0.00 175.26 174.52 2k62 s ALA 68 N 1.56 0.48 -0.04 6.30 0.00 -0.94 -4.86 121.76 124.26 2k62 s ALA 68 Ca 0.55 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2k62 s ALA 68 Cb -0.24 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 2k62 s ALA 68 CO 0.25 -0.55 -0.04 0.16 0.00 0.00 0.00 175.76 175.58 2k62 s ASP 69 N -3.01 4.83 -0.38 0.00 -4.77 -1.26 -0.28 116.67 111.80 2k62 s ASP 69 Ca 0.20 -0.02 -0.07 0.00 -3.30 0.00 0.00 52.55 49.36 2k62 s ASP 69 Cb 0.06 -1.23 0.07 0.00 -1.09 0.00 0.00 42.92 40.73 2k62 s ASP 69 CO 0.00 0.33 0.18 -0.63 0.70 0.00 0.00 175.17 175.76 2k62 s ILE 70 N -0.92 3.87 -0.61 2.11 -1.09 0.19 -4.52 121.20 120.24 2k62 s ILE 70 Ca 0.15 -1.40 -0.16 0.00 -2.23 0.00 0.00 60.65 57.00 2k62 s ILE 70 Cb -0.11 -3.34 0.14 0.00 -1.58 0.00 0.00 42.46 37.57 2k62 s ILE 70 CO 0.05 -0.40 0.61 -0.89 -1.23 0.00 0.00 174.94 173.08 2k62 s THR 71 N 1.37 5.16 0.86 2.92 2.01 -1.26 -0.52 115.64 126.18 2k62 s THR 71 Ca 0.02 -1.53 -0.12 0.00 0.31 0.00 0.00 61.69 60.36 2k62 s THR 71 Cb -0.22 -4.41 0.11 0.00 0.01 0.00 0.00 72.50 67.99 2k62 s THR 71 CO 0.01 -0.98 1.13 0.28 -0.69 0.00 0.00 174.62 174.37 2k62 s THR 72 N 1.67 2.34 -0.27 -0.82 -1.32 0.02 -4.62 115.64 112.65 2k62 s THR 72 Ca 0.08 0.11 0.26 0.00 -1.21 0.00 0.00 61.69 60.93 2k62 s THR 72 Cb -0.25 -2.90 0.27 0.00 -1.51 0.00 0.00 72.50 68.11 2k62 s THR 72 CO 0.02 -0.14 1.78 0.00 -2.21 0.00 0.00 174.62 174.06 2k62 h MET 73 N -1.29 0.00 0.00 7.08 -0.00 -1.94 -1.87 114.93 116.90 2k62 h MET 73 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.21 2k62 h MET 73 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.91 2k62 h MET 73 CO 0.62 0.00 0.00 -0.25 -0.00 0.00 0.00 176.91 177.28 2k62 n ASP 74 N -2.42 0.00 -0.00 -0.10 9.92 -1.26 -4.83 116.55 117.85 2k62 n ASP 74 Ca 0.01 -0.39 -0.00 0.00 -0.53 0.00 0.00 54.79 53.87 2k62 n ASP 74 Cb 0.19 -0.13 -0.00 0.00 -0.64 0.00 0.00 41.12 40.54 2k62 n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k62 n GLY 75 N 0.44 0.37 3.20 0.44 0.00 -0.70 -5.05 105.19 103.89 2k62 n GLY 75 Ca 0.14 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 2k62 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k62 s LYS 76 N -3.21 2.10 -0.19 1.61 -0.14 -1.24 -4.98 119.74 113.69 2k62 s LYS 76 Ca 0.00 -0.74 -0.00 0.00 -1.36 0.00 0.00 55.97 53.87 2k62 s LYS 76 Cb 0.00 -1.81 0.01 0.00 -1.68 0.00 0.00 37.83 34.35 2k62 s LYS 76 CO 0.00 0.31 -0.16 -1.59 -0.76 0.00 0.00 175.35 173.15 2k62 s LYS 77 N -0.08 3.09 -0.16 1.68 -2.85 -1.25 -0.80 119.74 119.37 2k62 s LYS 77 Ca -0.03 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 2k62 s LYS 77 Cb -0.12 -2.67 -0.00 0.00 -2.06 0.00 0.00 37.83 32.98 2k62 s LYS 77 CO 0.03 -0.19 -0.16 -1.17 0.10 0.00 0.00 175.35 173.96 2k62 s LEU 78 N 1.30 2.45 -0.16 2.77 2.96 0.32 -4.86 118.68 123.47 2k62 s LEU 78 Ca 0.04 -0.48 -0.23 0.00 -0.22 0.00 0.00 54.13 53.24 2k62 s LEU 78 Cb -0.13 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 2k62 s LEU 78 CO -0.10 0.08 0.73 -0.75 -1.32 0.00 0.00 176.35 174.99 2k62 s LYS 79 N 0.85 4.30 0.06 1.98 2.20 -1.26 0.54 119.74 128.40 2k62 s LYS 79 Ca -0.05 0.84 -0.16 0.00 -0.36 0.00 0.00 55.97 56.24 2k62 s LYS 79 Cb -0.15 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.65 2k62 s LYS 79 CO -0.01 -0.21 0.37 0.00 -0.36 0.00 0.00 175.35 175.14 2k62 s THR 81 N -2.75 4.97 -0.02 0.00 2.01 -1.26 -2.22 115.64 116.37 2k62 s THR 81 Ca -0.04 -0.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 2k62 s THR 81 Cb -0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2k62 s THR 81 CO -0.04 0.22 0.04 0.54 -0.69 0.00 0.00 174.62 174.69 2k62 s VAL 82 N 1.70 4.49 -0.03 3.82 0.11 -1.26 -4.78 120.40 124.46 2k62 s VAL 82 Ca 0.06 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 2k62 s VAL 82 Cb -0.16 -3.01 -0.01 0.00 -1.53 0.00 0.00 36.38 31.67 2k62 s VAL 82 CO 0.09 0.40 -0.15 -2.28 -3.33 0.00 0.00 175.10 169.82 2k62 s HIS 83 N -1.11 1.49 -0.29 1.54 2.46 -1.05 -0.75 115.29 117.58 2k62 s HIS 83 Ca 0.20 -0.36 -0.11 0.00 0.47 0.00 0.00 55.06 55.25 2k62 s HIS 83 Cb -0.12 -0.99 -0.04 0.00 -0.13 0.00 0.00 32.58 31.30 2k62 s HIS 83 CO 0.11 -0.10 0.20 -1.17 -2.47 0.00 0.00 174.74 171.30 2k62 s LEU 84 N -0.09 4.12 -0.15 8.88 2.96 -1.26 -1.44 118.68 131.70 2k62 s LEU 84 Ca 0.00 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2k62 s LEU 84 Cb -0.09 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.53 2k62 s LEU 84 CO 0.01 -0.09 -0.02 0.00 -1.32 0.00 0.00 176.35 174.93 2k62 s ALA 85 N 1.74 1.16 -1.43 5.97 0.00 0.27 -4.78 121.76 124.70 2k62 s ALA 85 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2k62 s ALA 85 Cb -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.93 2k62 s ALA 85 CO 0.11 -0.77 0.00 0.09 0.00 0.00 0.00 175.76 175.18 2k62 n ASN 86 N 4.99 -4.88 0.00 0.00 3.02 -1.26 -1.37 115.26 115.76 2k62 n ASN 86 Ca -0.10 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2k62 n ASN 86 Cb 0.48 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 2k62 n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k62 n GLY 87 N -1.01 0.77 3.55 7.41 0.00 -1.26 -5.01 105.19 109.63 2k62 n GLY 87 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2k62 n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k62 s LYS 88 N -0.02 3.41 -0.12 1.61 2.20 -0.47 -4.99 119.74 121.36 2k62 s LYS 88 Ca 0.00 -0.50 -0.21 0.00 -0.36 0.00 0.00 55.97 54.90 2k62 s LYS 88 Cb 0.00 -2.84 -0.03 0.00 -1.51 0.00 0.00 37.83 33.44 2k62 s LYS 88 CO 0.00 0.40 0.61 -0.51 -0.36 0.00 0.00 175.35 175.49 2k62 s LEU 89 N -0.05 4.25 -0.07 5.43 1.43 -1.26 -0.56 118.68 127.85 2k62 s LEU 89 Ca 0.02 0.97 0.05 0.00 -1.03 0.00 0.00 54.13 54.14 2k62 s LEU 89 Cb -0.13 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 2k62 s LEU 89 CO 0.02 -0.13 -0.24 0.54 0.23 0.00 0.00 176.35 176.78 2k62 s VAL 90 N 1.08 1.99 -0.28 -1.59 0.11 -0.52 -4.50 120.40 116.69 2k62 s VAL 90 Ca 0.31 -1.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.09 2k62 s VAL 90 Cb -0.16 -1.69 0.14 0.00 -1.53 0.00 0.00 36.38 33.13 2k62 s VAL 90 CO 0.13 0.55 1.12 0.28 -3.33 0.00 0.00 175.10 173.86 2k62 s THR 91 N -0.03 0.00 -0.30 5.04 -1.32 -1.26 -2.53 115.64 115.24 2k62 s THR 91 Ca -0.07 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.32 2k62 s THR 91 Cb -0.15 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.02 2k62 s THR 91 CO 0.05 0.00 0.89 -0.75 -2.21 0.00 0.00 174.62 172.59 2k62 s LYS 92 N 0.11 0.33 0.00 7.08 2.20 -1.26 -3.42 119.74 124.79 2k62 s LYS 92 Ca 0.04 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 2k62 s LYS 92 Cb -0.05 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 2k62 s LYS 92 CO -0.08 -0.33 0.00 -1.13 -0.36 0.00 0.00 175.35 173.45 2k62 n SER 93 N 5.40 0.00 0.00 1.43 3.41 -1.17 -5.00 113.62 117.69 2k62 n SER 93 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2k62 n SER 93 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2k62 n SER 93 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k62 n GLU 94 N 0.00 0.00 -1.54 4.33 -0.58 -1.26 -4.79 120.64 116.80 2k62 n GLU 94 Ca 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 2k62 n GLU 94 Cb 0.00 -0.21 0.09 0.00 -0.57 0.00 0.00 31.44 30.76 2k62 n GLU 94 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2k62 n LYS 95 N -0.27 2.11 -4.38 3.49 5.02 -1.26 -5.02 118.16 117.85 2k62 n LYS 95 Ca 0.00 -3.46 -0.26 0.00 -2.02 0.00 0.00 58.31 52.57 2k62 n LYS 95 Cb 0.00 -1.63 -0.17 0.00 -0.02 0.00 0.00 35.03 33.22 2k62 n LYS 95 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2k62 s PHE 96 N -2.99 1.57 0.14 2.13 5.36 -1.26 -4.60 117.98 118.33 2k62 s PHE 96 Ca 0.41 -0.67 0.05 0.00 -0.96 0.00 0.00 56.93 55.76 2k62 s PHE 96 Cb 0.38 -1.18 -0.04 0.00 -0.34 0.00 0.00 43.02 41.83 2k62 s PHE 96 CO -0.04 -0.38 -0.12 -1.12 -1.46 0.00 0.00 175.22 172.10 2k62 s SER 97 N 1.00 1.92 -0.24 6.13 0.01 -1.26 -3.03 113.70 118.23 2k62 s SER 97 Ca -0.08 -0.94 -0.03 0.00 1.31 0.00 0.00 55.95 56.22 2k62 s SER 97 Cb -0.15 -0.04 0.13 0.00 0.21 0.00 0.00 66.02 66.18 2k62 s SER 97 CO -0.01 -0.25 0.39 -2.28 0.41 0.00 0.00 173.24 171.51 2k62 s HIS 98 N -2.87 -0.88 0.26 2.43 2.46 -1.22 -3.14 115.29 112.34 2k62 s HIS 98 Ca 0.14 0.93 -0.09 0.00 0.47 0.00 0.00 55.06 56.51 2k62 s HIS 98 Cb -0.00 0.07 -0.07 0.00 -0.13 0.00 0.00 32.58 32.45 2k62 s HIS 98 CO 0.02 -0.72 0.58 -2.00 -2.47 0.00 0.00 174.74 170.15 2k62 s GLU 99 N 2.57 3.77 -0.20 2.88 2.56 -1.18 -4.53 118.70 124.57 2k62 s GLU 99 Ca 0.12 0.25 -0.04 0.00 0.00 0.00 0.00 54.97 55.30 2k62 s GLU 99 Cb -0.15 -2.61 0.08 0.00 2.00 0.00 0.00 34.13 33.45 2k62 s GLU 99 CO -0.16 0.25 0.17 -1.14 -0.56 0.00 0.00 175.26 173.82 2k62 s GLN 100 N -3.09 0.14 -0.11 4.30 2.00 -1.26 -3.39 119.66 118.26 2k62 s GLN 100 Ca 0.47 0.06 0.02 0.00 -2.00 0.00 0.00 55.36 53.91 2k62 s GLN 100 Cb -0.11 -1.43 0.01 0.00 0.80 0.00 0.00 33.01 32.28 2k62 s GLN 100 CO 0.24 -0.68 -0.16 -2.00 -0.50 0.00 0.00 175.29 172.18 2k62 s GLU 101 N 2.25 2.33 -0.30 1.67 2.56 -0.74 -4.71 118.70 121.76 2k62 s GLU 101 Ca 0.05 -0.60 -0.08 0.00 0.00 0.00 0.00 54.97 54.34 2k62 s GLU 101 Cb -0.16 -1.94 0.00 0.00 2.00 0.00 0.00 34.13 34.03 2k62 s GLU 101 CO -0.12 -0.04 0.10 0.08 -0.56 0.00 0.00 175.26 174.72 2k62 s VAL 102 N 0.91 4.19 -0.72 3.70 1.01 -1.26 -1.71 120.40 126.51 2k62 s VAL 102 Ca -0.08 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2k62 s VAL 102 Cb -0.15 -3.14 0.18 0.00 0.00 0.00 0.00 36.38 33.27 2k62 s VAL 102 CO -0.01 0.09 0.54 -0.54 0.00 0.00 0.00 175.10 175.19 2k62 s LYS 103 N 1.54 2.69 0.61 2.72 -0.14 0.83 -4.95 119.74 123.04 2k62 s LYS 103 Ca 0.04 -3.01 0.00 0.00 -1.36 0.00 0.00 55.97 51.63 2k62 s LYS 103 Cb -0.17 -3.67 0.00 0.00 -1.68 0.00 0.00 37.83 32.31 2k62 s LYS 103 CO 0.04 -1.22 0.00 0.41 -0.76 0.00 0.00 175.35 173.81 2k62 n GLY 104 N 2.64 1.47 0.06 -3.33 0.00 -1.26 -1.17 105.19 103.60 2k62 n GLY 104 Ca 0.15 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.51 2k62 n GLY 104 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k62 n ASN 105 N 3.71 0.81 -4.65 1.61 4.05 -1.26 -5.05 115.26 114.47 2k62 n ASN 105 Ca 0.00 -1.57 -0.34 0.00 0.45 0.00 0.00 54.58 53.12 2k62 n ASN 105 Cb 0.00 -0.05 -0.10 0.00 1.23 0.00 0.00 39.78 40.86 2k62 n ASN 105 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2k62 s GLU 106 N -0.52 2.87 -0.18 1.20 2.02 -0.32 -3.70 118.70 120.07 2k62 s GLU 106 Ca 0.02 -0.49 -0.00 0.00 0.02 0.00 0.00 54.97 54.52 2k62 s GLU 106 Cb 0.02 -2.71 0.04 0.00 0.10 0.00 0.00 34.13 31.58 2k62 s GLU 106 CO 0.00 0.67 -0.06 1.41 0.02 0.00 0.00 175.26 177.31 2k62 s MET 107 N -1.02 1.53 -0.14 1.61 1.75 -0.28 -0.12 119.30 122.63 2k62 s MET 107 Ca 0.14 -0.59 0.01 0.00 -1.25 0.00 0.00 55.69 54.00 2k62 s MET 107 Cb -0.11 -2.11 -0.01 0.00 2.84 0.00 0.00 34.83 35.44 2k62 s MET 107 CO 0.04 -0.44 -0.16 0.08 -0.65 0.00 0.00 175.02 173.89 2k62 s VAL 108 N 1.59 2.73 0.05 10.11 1.01 -0.70 0.13 120.40 135.32 2k62 s VAL 108 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2k62 s VAL 108 Cb -0.16 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2k62 s VAL 108 CO -0.08 0.53 -0.09 -1.83 0.00 0.00 0.00 175.10 173.63 2k62 s GLU 109 N 0.54 0.62 -0.19 2.72 -1.05 -0.36 -1.79 118.70 119.20 2k62 s GLU 109 Ca -0.10 -0.85 -0.01 0.00 -0.15 0.00 0.00 54.97 53.86 2k62 s GLU 109 Cb -0.16 -0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.14 2k62 s GLU 109 CO 0.04 0.07 -0.13 0.99 0.95 0.00 0.00 175.26 177.18 2k62 s THR 110 N -1.54 2.66 -0.17 1.83 2.01 -1.22 -0.69 115.64 118.53 2k62 s THR 110 Ca -0.06 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 2k62 s THR 110 Cb -0.09 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 2k62 s THR 110 CO 0.00 0.49 0.02 -0.63 -0.69 0.00 0.00 174.62 173.82 2k62 s ILE 111 N 1.23 4.46 -0.50 1.82 1.01 0.16 -3.10 121.20 126.27 2k62 s ILE 111 Ca 0.03 -0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 2k62 s ILE 111 Cb -0.14 -2.98 0.04 0.00 0.01 0.00 0.00 42.46 39.39 2k62 s ILE 111 CO -0.06 0.49 0.76 -0.89 0.00 0.00 0.00 174.94 175.24 2k62 s THR 112 N 0.25 4.66 -0.46 2.92 2.01 -1.19 0.09 115.64 123.93 2k62 s THR 112 Ca 0.01 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 2k62 s THR 112 Cb -0.13 -4.37 0.12 0.00 0.01 0.00 0.00 72.50 68.12 2k62 s THR 112 CO 0.01 -0.87 0.31 -0.36 -0.69 0.00 0.00 174.62 173.03 2k62 s PHE 113 N 3.22 3.46 0.00 4.92 0.08 0.60 -4.68 117.98 125.58 2k62 s PHE 113 Ca 0.24 -1.98 0.00 0.00 0.12 0.00 0.00 56.93 55.31 2k62 s PHE 113 Cb -0.15 -3.43 0.00 0.00 -0.57 0.00 0.00 43.02 38.87 2k62 s PHE 113 CO 0.17 -0.99 0.00 0.41 -0.10 0.00 0.00 175.22 174.71 2k62 n GLY 114 N 4.84 1.04 0.00 4.36 0.00 -1.26 -2.06 105.19 112.10 2k62 n GLY 114 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2k62 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k62 n GLY 115 N 0.00 0.57 3.23 -0.02 0.00 -1.26 -4.98 105.19 102.73 2k62 n GLY 115 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2k62 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k62 s VAL 116 N -0.55 1.07 -0.15 1.61 0.11 -0.88 -5.15 120.40 116.47 2k62 s VAL 116 Ca 0.00 -2.04 -0.02 0.00 -2.93 0.00 0.00 61.98 57.00 2k62 s VAL 116 Cb 0.00 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.01 2k62 s VAL 116 CO 0.00 -0.77 -0.08 0.42 -3.33 0.00 0.00 175.10 171.34 2k62 s THR 117 N -3.39 3.41 -0.17 5.04 -4.23 -1.26 -0.29 115.64 114.75 2k62 s THR 117 Ca 0.16 -0.52 -0.12 0.00 -1.18 0.00 0.00 61.69 60.02 2k62 s THR 117 Cb 0.03 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 2k62 s THR 117 CO -0.01 0.50 0.24 -0.76 -0.54 0.00 0.00 174.62 174.05 2k62 s LEU 118 N 0.49 4.24 -0.56 4.79 2.01 0.11 -4.89 118.68 124.87 2k62 s LEU 118 Ca -0.06 0.42 -0.15 0.00 0.01 0.00 0.00 54.13 54.35 2k62 s LEU 118 Cb -0.15 -2.28 0.14 0.00 0.01 0.00 0.00 46.19 43.91 2k62 s LEU 118 CO 0.04 0.14 0.51 -0.63 1.01 0.00 0.00 176.35 177.41 2k62 s ILE 119 N 0.35 5.11 -0.22 -0.59 1.09 -1.26 -0.67 121.20 125.02 2k62 s ILE 119 Ca 0.14 -1.64 -0.17 0.00 -1.10 0.00 0.00 60.65 57.88 2k62 s ILE 119 Cb -0.12 -4.28 -0.03 0.00 -1.06 0.00 0.00 42.46 36.97 2k62 s ILE 119 CO 0.02 -0.87 0.45 -0.60 -0.10 0.00 0.00 174.94 173.84 2k62 s ARG 120 N 1.43 4.15 -0.10 2.79 6.06 0.13 -4.73 118.95 128.67 2k62 s ARG 120 Ca 0.05 0.27 -0.01 0.00 -2.50 0.00 0.00 55.73 53.53 2k62 s ARG 120 Cb -0.28 -3.57 -0.03 0.00 0.06 0.00 0.00 34.95 31.13 2k62 s ARG 120 CO 0.01 -0.14 -0.05 0.50 -2.50 0.00 0.00 175.30 173.12 2k62 s ARG 121 N 1.64 3.12 -0.06 5.12 3.52 -1.25 -1.22 118.95 129.81 2k62 s ARG 121 Ca 0.20 -0.52 0.04 0.00 -0.13 0.00 0.00 55.73 55.33 2k62 s ARG 121 Cb -0.15 -2.74 -0.00 0.00 -1.56 0.00 0.00 34.95 30.50 2k62 s ARG 121 CO 0.09 0.52 -0.20 -1.12 -0.81 0.00 0.00 175.30 173.78 2k62 s SER 122 N -0.41 2.55 0.50 -2.12 0.01 0.12 -0.22 113.70 114.14 2k62 s SER 122 Ca 0.06 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.93 2k62 s SER 122 Cb -0.12 -0.89 -0.00 0.00 0.21 0.00 0.00 66.02 65.21 2k62 s SER 122 CO 0.02 0.16 0.19 -1.59 0.41 0.00 0.00 173.24 172.44 2k62 s LYS 123 N 0.16 2.22 -1.21 12.44 -2.85 0.10 -1.13 119.74 129.47 2k62 s LYS 123 Ca -0.09 -2.12 -0.16 0.00 -1.00 0.00 0.00 55.97 52.60 2k62 s LYS 123 Cb -0.14 -1.85 0.14 0.00 -2.06 0.00 0.00 37.83 33.91 2k62 s LYS 123 CO 0.04 -0.39 1.50 -0.98 0.10 0.00 0.00 175.35 175.62 2k62 s ARG 124 N -4.03 4.02 0.00 1.78 1.70 -1.24 -0.79 118.95 120.38 2k62 s ARG 124 Ca 0.25 -2.32 0.00 0.00 -0.47 0.00 0.00 55.73 53.19 2k62 s ARG 124 Cb 0.01 -5.20 0.00 0.00 -0.57 0.00 0.00 34.95 29.19 2k62 s ARG 124 CO 0.15 -1.92 0.00 0.28 -1.08 0.00 0.00 175.30 172.72