#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 -2.13 0.00 3.72 -1.26 -4.97 117.46 112.82 2k62 n PHE 2 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 2k62 n PHE 2 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 2k62 n PHE 2 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2k62 s SER 3 N -1.79 6.67 0.00 4.37 0.01 -1.26 -4.69 113.70 117.01 2k62 s SER 3 Ca 0.04 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.27 2k62 s SER 3 Cb 0.07 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2k62 s SER 3 CO 0.35 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2k62 n GLY 4 N 4.12 -1.66 3.50 3.44 0.00 -1.02 -4.96 105.19 108.62 2k62 n GLY 4 Ca 0.17 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 2k62 n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k62 s THR 5 N -2.27 4.73 -0.05 2.61 -4.23 -1.26 -1.28 115.64 113.89 2k62 s THR 5 Ca 0.00 -0.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.52 2k62 s THR 5 Cb 0.00 -3.24 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 2k62 s THR 5 CO 0.00 0.29 -0.20 0.26 -0.54 0.00 0.00 174.62 174.43 2k62 s TRP 6 N 1.67 2.55 -0.34 3.99 0.52 0.78 -4.11 118.94 124.01 2k62 s TRP 6 Ca 0.07 -0.38 -0.12 0.00 0.02 0.00 0.00 56.10 55.68 2k62 s TRP 6 Cb -0.16 -1.60 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 2k62 s TRP 6 CO 0.07 0.02 0.22 -1.14 0.02 0.00 0.00 176.95 176.13 2k62 s GLN 7 N -0.51 3.42 -0.56 4.98 2.00 0.49 -0.70 119.66 128.77 2k62 s GLN 7 Ca 0.07 -0.69 -0.21 0.00 -2.00 0.00 0.00 55.36 52.53 2k62 s GLN 7 Cb -0.11 -3.74 0.07 0.00 0.80 0.00 0.00 33.01 30.02 2k62 s GLN 7 CO 0.01 -0.45 0.77 0.14 -0.50 0.00 0.00 175.29 175.26 2k62 s VAL 8 N 1.69 4.66 -0.19 1.34 -7.23 -1.25 -0.73 120.40 118.68 2k62 s VAL 8 Ca 0.06 -0.41 -0.03 0.00 -1.81 0.00 0.00 61.98 59.79 2k62 s VAL 8 Cb -0.17 -4.46 -0.01 0.00 0.56 0.00 0.00 36.38 32.30 2k62 s VAL 8 CO 0.09 -1.06 -0.07 -0.72 -0.31 0.00 0.00 175.10 173.03 2k62 s TYR 9 N 3.19 2.92 -0.30 2.82 1.13 0.50 -4.73 117.35 122.88 2k62 s TYR 9 Ca 0.19 -0.86 -0.35 0.00 -1.41 0.00 0.00 57.07 54.63 2k62 s TYR 9 Cb -0.18 -2.03 0.17 0.00 -1.10 0.00 0.00 41.96 38.82 2k62 s TYR 9 CO 0.12 -0.45 1.39 0.00 -2.51 0.00 0.00 175.55 174.11 2k62 s ALA 10 N 1.13 -2.19 0.00 9.51 0.00 -1.26 -3.21 121.76 125.75 2k62 s ALA 10 Ca 0.01 1.93 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2k62 s ALA 10 Cb -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2k62 s ALA 10 CO -0.01 -0.43 0.26 0.94 0.00 0.00 0.00 175.76 176.52 2k62 n GLN 11 N 0.19 0.00 -2.57 0.00 7.27 -1.26 -5.03 117.38 115.97 2k62 n GLN 11 Ca 0.04 -0.25 -0.43 0.00 0.07 0.00 0.00 57.00 56.43 2k62 n GLN 11 Cb 0.57 -0.25 -0.02 0.00 2.41 0.00 0.00 30.24 32.95 2k62 n GLN 11 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2k62 s GLU 12 N 0.00 4.36 -1.54 3.69 0.41 -1.26 -3.12 118.70 121.24 2k62 s GLU 12 Ca 0.00 1.52 0.00 0.00 -0.41 0.00 0.00 54.97 56.08 2k62 s GLU 12 Cb 0.00 -3.58 0.00 0.00 -1.78 0.00 0.00 34.13 28.77 2k62 s GLU 12 CO 0.00 -0.44 0.00 0.09 -0.49 0.00 0.00 175.26 174.42 2k62 n ASN 13 N 5.40 -4.76 0.07 -0.19 3.02 -1.26 -4.14 115.26 113.40 2k62 n ASN 13 Ca 0.11 0.30 -0.03 0.00 -0.03 0.00 0.00 54.58 54.92 2k62 n ASN 13 Cb 0.47 -3.65 -0.01 0.00 -0.61 0.00 0.00 39.78 35.98 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 -0.18 0.00 3.10 5.03 -1.94 -2.73 116.97 120.25 2k62 h TYR 14 Ca -0.32 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 60.97 2k62 h TYR 14 Cb 1.03 0.06 -0.00 0.00 1.55 0.00 0.00 36.73 39.37 2k62 h TYR 14 CO 0.42 -0.11 -0.09 1.05 -1.32 0.00 0.00 178.16 178.11 2k62 h GLU 15 N -0.28 0.00 -0.03 1.82 -0.00 -1.92 -2.50 114.58 111.67 2k62 h GLU 15 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.34 2k62 h GLU 15 Cb 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.90 2k62 h GLU 15 CO 0.03 0.09 0.01 1.49 -0.00 0.00 0.00 179.01 180.64 2k62 h GLU 16 N 0.00 0.05 -0.43 1.06 4.81 -1.96 -2.62 114.58 115.50 2k62 h GLU 16 Ca -0.00 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2k62 h GLU 16 Cb 0.20 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2k62 h GLU 16 CO 0.01 0.17 -0.11 0.35 -0.73 0.00 0.00 179.01 178.71 2k62 h PHE 17 N -0.09 0.83 -0.96 0.92 3.57 -1.21 -2.82 116.94 117.18 2k62 h PHE 17 Ca 0.01 -0.15 0.14 0.00 3.53 0.00 0.00 57.97 61.50 2k62 h PHE 17 Cb 0.14 -0.21 -0.08 0.00 2.79 0.00 0.00 35.95 38.59 2k62 h PHE 17 CO -0.03 0.83 0.61 -0.07 -2.23 0.00 0.00 178.31 177.42 2k62 h LEU 18 N 0.69 0.80 0.00 0.59 3.38 -1.23 0.21 115.31 119.74 2k62 h LEU 18 Ca 0.12 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2k62 h LEU 18 Cb 0.58 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2k62 h LEU 18 CO 0.04 0.40 0.00 0.29 0.09 0.00 0.00 178.44 179.25 2k62 n LYS 19 N -4.61 0.54 -0.01 1.13 5.02 -1.01 -1.46 118.16 117.75 2k62 n LYS 19 Ca 0.19 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.48 2k62 n LYS 19 Cb 0.43 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.99 2k62 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k62 n ALA 20 N -0.97 2.12 -3.00 7.82 0.00 0.74 -4.97 120.51 122.25 2k62 n ALA 20 Ca 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2k62 n ALA 20 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2k62 n ALA 20 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k62 n LEU 21 N -0.29 0.00 -2.08 0.00 -0.00 -0.54 -4.84 117.00 109.25 2k62 n LEU 21 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.95 2k62 n LEU 21 Cb 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.54 2k62 n LEU 21 CO 0.01 0.00 1.20 0.00 -0.00 0.00 0.00 177.39 178.59 2k62 n ALA 22 N -3.00 4.53 -2.81 1.47 0.00 -1.26 -4.84 120.51 114.59 2k62 n ALA 22 Ca 0.00 -1.09 -0.39 0.00 0.00 0.00 0.00 53.44 51.96 2k62 n ALA 22 Cb 0.00 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.18 2k62 n ALA 22 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2k62 s LEU 23 N 0.00 4.21 -0.12 0.00 2.96 -1.23 -4.92 118.68 119.58 2k62 s LEU 23 Ca 0.40 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 2k62 s LEU 23 Cb 0.19 -2.02 0.30 0.00 0.50 0.00 0.00 46.19 45.16 2k62 s LEU 23 CO 0.00 -0.21 1.11 -0.81 -1.32 0.00 0.00 176.35 175.12 2k62 n PRO 24 N 5.00 2.21 0.00 0.98 -0.04 -1.26 -4.86 135.00 137.03 2k62 n PRO 24 Ca -0.14 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 2k62 n PRO 24 Cb 0.49 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2k62 n PRO 24 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k62 n GLU 25 N 0.12 0.00 0.34 0.54 2.13 -1.26 -4.57 120.64 117.93 2k62 n GLU 25 Ca 0.15 0.00 0.22 0.00 0.66 0.00 0.00 57.16 58.19 2k62 n GLU 25 Cb 0.73 -0.02 1.17 0.00 0.27 0.00 0.00 31.44 33.59 2k62 n GLU 25 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2k62 h ASP 26 N 0.00 0.00 -0.33 4.31 3.58 -2.00 -1.31 116.42 120.66 2k62 h ASP 26 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k62 h ASP 26 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k62 h ASP 26 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 2k62 n LEU 27 N -3.11 1.98 -0.29 2.28 4.77 -1.26 -4.09 117.00 117.27 2k62 n LEU 27 Ca -0.03 -0.95 -0.05 0.00 -0.03 0.00 0.00 56.01 54.95 2k62 n LEU 27 Cb 0.10 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2k62 n LEU 27 CO 0.20 0.47 1.07 0.40 -1.33 0.00 0.00 177.39 178.21 2k62 h ILE 28 N 2.28 1.26 -0.14 -0.08 2.04 -1.63 -2.07 117.51 119.18 2k62 h ILE 28 Ca 0.00 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 2k62 h ILE 28 Cb 0.52 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2k62 h ILE 28 CO 0.00 0.33 -0.11 0.11 0.00 0.00 0.00 178.15 178.48 2k62 h LYS 29 N 1.17 0.21 -0.12 2.37 1.79 -1.81 -1.65 116.57 118.53 2k62 h LYS 29 Ca 0.27 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.65 2k62 h LYS 29 Cb 0.18 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2k62 h LYS 29 CO -0.03 0.33 -0.14 1.98 -1.08 0.00 0.00 179.45 180.51 2k62 h MET 30 N 0.20 0.31 -0.52 3.15 4.05 -1.65 -3.04 114.93 117.43 2k62 h MET 30 Ca 0.04 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.24 2k62 h MET 30 Cb 0.32 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 2k62 h MET 30 CO 0.02 0.73 0.13 0.00 0.23 0.00 0.00 176.91 178.01 2k62 h ALA 31 N 0.58 0.68 0.00 0.39 0.00 -1.04 -2.65 119.26 117.22 2k62 h ALA 31 Ca 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2k62 h ALA 31 Cb 0.68 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k62 h ALA 31 CO 0.03 0.38 -0.08 0.07 0.00 0.00 0.00 179.25 179.65 2k62 h ARG 32 N 0.72 0.00 -0.01 0.00 0.11 -1.37 -1.55 114.38 112.28 2k62 h ARG 32 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 2k62 h ARG 32 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2k62 h ARG 32 CO 0.00 0.08 -0.13 -3.47 0.10 0.00 0.00 179.97 176.55 2k62 n ASP 33 N -3.44 1.46 -4.55 0.08 2.03 -1.02 -4.78 116.55 106.33 2k62 n ASP 33 Ca -0.02 -1.30 -0.36 0.00 0.52 0.00 0.00 54.79 53.64 2k62 n ASP 33 Cb 0.22 0.09 -0.04 0.00 -0.72 0.00 0.00 41.12 40.67 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 -2.23 3.53 -0.56 5.18 -1.09 -0.58 -4.86 121.20 120.58 2k62 s ILE 34 Ca 0.30 -0.05 0.05 0.00 -2.23 0.00 0.00 60.65 58.72 2k62 s ILE 34 Cb 0.20 -4.31 0.18 0.00 -1.58 0.00 0.00 42.46 36.96 2k62 s ILE 34 CO 0.42 -1.25 0.46 0.29 -1.23 0.00 0.00 174.94 173.63 2k62 n LYS 35 N 9.09 1.15 -2.67 2.79 5.02 -1.26 -5.01 118.16 127.28 2k62 n LYS 35 Ca 0.24 -3.88 -0.21 0.00 -2.02 0.00 0.00 58.31 52.45 2k62 n LYS 35 Cb 0.50 -1.94 0.03 0.00 -0.02 0.00 0.00 35.03 33.60 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 -0.95 2.58 -0.21 1.97 0.04 -1.26 -5.00 135.00 132.17 2k62 s PRO 36 Ca 0.30 -0.78 -0.07 0.00 0.04 0.00 0.00 61.00 60.49 2k62 s PRO 36 Cb 0.03 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 2k62 s PRO 36 CO -0.16 -0.68 0.06 0.42 0.04 0.00 0.00 177.00 176.68 2k62 s ILE 37 N -2.74 4.53 -0.24 0.56 1.01 -1.26 -3.93 121.20 119.12 2k62 s ILE 37 Ca 0.57 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.89 2k62 s ILE 37 Cb -0.10 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 2k62 s ILE 37 CO 0.38 0.41 0.68 -0.69 0.00 0.00 0.00 174.94 175.73 2k62 s VAL 38 N 0.85 4.95 -0.43 2.92 1.01 0.12 -4.57 120.40 125.25 2k62 s VAL 38 Ca 0.03 1.26 -0.03 0.00 0.00 0.00 0.00 61.98 63.25 2k62 s VAL 38 Cb -0.14 -3.98 0.11 0.00 0.00 0.00 0.00 36.38 32.37 2k62 s VAL 38 CO 0.02 0.02 0.22 -1.61 0.00 0.00 0.00 175.10 173.75 2k62 s GLU 39 N 2.46 2.03 -0.28 2.72 2.02 -1.26 -0.16 118.70 126.23 2k62 s GLU 39 Ca 0.29 -1.89 -0.26 0.00 0.02 0.00 0.00 54.97 53.12 2k62 s GLU 39 Cb -0.16 -3.58 0.01 0.00 0.10 0.00 0.00 34.13 30.50 2k62 s GLU 39 CO 0.09 -1.08 0.92 0.42 0.02 0.00 0.00 175.26 175.63 2k62 s ILE 40 N 1.01 4.70 -0.16 -1.63 1.01 -0.41 -4.16 121.20 121.56 2k62 s ILE 40 Ca 0.09 1.56 0.01 0.00 0.00 0.00 0.00 60.65 62.30 2k62 s ILE 40 Cb -0.22 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.03 2k62 s ILE 40 CO -0.04 -0.27 -0.13 -1.10 0.00 0.00 0.00 174.94 173.40 2k62 s GLN 41 N 3.17 2.24 -0.21 2.79 -0.21 -0.36 -2.42 119.66 124.65 2k62 s GLN 41 Ca 0.38 -0.65 -0.11 0.00 0.02 0.00 0.00 55.36 55.01 2k62 s GLN 41 Cb -0.14 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.61 2k62 s GLN 41 CO 0.11 -0.29 0.16 -1.14 -2.12 0.00 0.00 175.29 172.00 2k62 s GLN 42 N 1.45 4.15 -0.76 2.91 0.74 -1.26 -0.12 119.66 126.78 2k62 s GLN 42 Ca 0.03 -0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.26 2k62 s GLN 42 Cb -0.14 -3.47 0.26 0.00 1.10 0.00 0.00 33.01 30.76 2k62 s GLN 42 CO -0.10 0.20 0.92 1.17 -0.55 0.00 0.00 175.29 176.93 2k62 n LYS 43 N 3.84 3.00 0.00 1.67 4.81 0.17 -4.98 118.16 126.67 2k62 n LYS 43 Ca -0.15 -4.64 0.00 0.00 -0.87 0.00 0.00 58.31 52.65 2k62 n LYS 43 Cb 0.52 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.24 2k62 n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k62 n GLY 44 N 1.02 1.75 0.53 3.14 0.00 -1.26 -2.09 105.19 108.28 2k62 n GLY 44 Ca 0.29 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.46 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 6.49 2.10 -4.73 1.61 5.75 -1.26 -4.98 116.55 121.54 2k62 n ASP 45 Ca 0.00 -1.55 -0.31 0.00 -0.01 0.00 0.00 54.79 52.92 2k62 n ASP 45 Cb 0.00 0.01 -0.08 0.00 -1.03 0.00 0.00 41.12 40.02 2k62 n ASP 45 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2k62 s ASP 46 N -1.12 5.28 -0.09 -1.12 1.01 -0.89 -0.37 116.67 119.38 2k62 s ASP 46 Ca 0.15 -0.05 0.03 0.00 0.71 0.00 0.00 52.55 53.39 2k62 s ASP 46 Cb 0.11 -1.37 0.01 0.00 1.01 0.00 0.00 42.92 42.68 2k62 s ASP 46 CO 0.17 0.20 -0.17 -0.36 0.21 0.00 0.00 175.17 175.23 2k62 s PHE 47 N -1.28 1.91 -0.11 4.23 0.40 0.87 0.44 117.98 124.45 2k62 s PHE 47 Ca 0.26 -0.78 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 2k62 s PHE 47 Cb -0.12 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.07 2k62 s PHE 47 CO 0.18 -0.37 -0.22 0.08 0.70 0.00 0.00 175.22 175.59 2k62 s VAL 48 N 0.63 1.94 0.03 -0.44 1.01 0.83 -1.31 120.40 123.10 2k62 s VAL 48 Ca -0.14 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 2k62 s VAL 48 Cb -0.16 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2k62 s VAL 48 CO 0.04 0.53 -0.03 0.68 0.00 0.00 0.00 175.10 176.32 2k62 s VAL 49 N 0.52 0.18 0.02 2.92 -7.23 -0.07 -1.23 120.40 115.52 2k62 s VAL 49 Ca -0.15 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 2k62 s VAL 49 Cb -0.17 -0.76 -0.02 0.00 0.56 0.00 0.00 36.38 36.00 2k62 s VAL 49 CO 0.05 -0.68 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.14 2k62 s THR 50 N -2.39 1.04 -0.70 5.32 2.01 -1.26 0.18 115.64 119.84 2k62 s THR 50 Ca -0.07 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.13 2k62 s THR 50 Cb -0.03 -0.92 0.17 0.00 0.01 0.00 0.00 72.50 71.73 2k62 s THR 50 CO -0.04 0.09 0.50 -0.44 -0.69 0.00 0.00 174.62 174.04 2k62 s SER 51 N -0.83 5.03 -0.75 3.53 0.01 -0.95 -4.29 113.70 115.44 2k62 s SER 51 Ca 0.02 -3.54 -0.26 0.00 1.31 0.00 0.00 55.95 53.48 2k62 s SER 51 Cb -0.07 -1.72 0.02 0.00 0.21 0.00 0.00 66.02 64.46 2k62 s SER 51 CO 0.01 -0.17 1.46 -0.54 0.41 0.00 0.00 173.24 174.41 2k62 s LYS 52 N -1.04 3.08 0.37 12.44 -0.14 -1.26 -4.13 119.74 129.06 2k62 s LYS 52 Ca 0.23 -0.16 0.08 0.00 -1.36 0.00 0.00 55.97 54.75 2k62 s LYS 52 Cb -0.11 -4.42 -0.04 0.00 -1.68 0.00 0.00 37.83 31.58 2k62 s LYS 52 CO -0.11 -2.35 0.23 0.95 -0.76 0.00 0.00 175.35 173.31 2k62 s THR 53 N 6.60 2.93 -0.06 2.17 -4.23 -1.03 -4.45 115.64 117.57 2k62 s THR 53 Ca 0.45 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 2k62 s THR 53 Cb -0.08 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.80 2k62 s THR 53 CO 0.12 -0.11 1.41 -0.81 -0.54 0.00 0.00 174.62 174.69 2k62 n PRO 54 N -1.29 1.16 0.00 3.99 -0.04 -1.26 -4.03 135.00 133.53 2k62 n PRO 54 Ca -0.01 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 2k62 n PRO 54 Cb 0.62 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 0.62 0.00 -4.45 0.54 3.00 -1.26 -5.15 116.66 109.97 2k62 n ARG 55 Ca 0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.68 2k62 n ARG 55 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.96 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 -1.76 1.76 -0.17 -0.14 -1.52 -1.26 -5.14 119.66 111.43 2k62 s GLN 56 Ca 0.00 -1.72 -0.12 0.00 -1.95 0.00 0.00 55.36 51.57 2k62 s GLN 56 Cb 0.00 -1.82 0.05 0.00 -0.22 0.00 0.00 33.01 31.02 2k62 s GLN 56 CO 0.00 0.33 0.43 0.95 -0.25 0.00 0.00 175.29 176.76 2k62 s THR 57 N -2.49 -0.01 -0.08 -0.19 -4.23 -1.26 -2.48 115.64 104.91 2k62 s THR 57 Ca 0.30 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.56 2k62 s THR 57 Cb -0.05 -0.63 0.10 0.00 1.34 0.00 0.00 72.50 73.26 2k62 s THR 57 CO 0.16 0.02 0.83 0.54 -0.54 0.00 0.00 174.62 175.63 2k62 s VAL 58 N 0.88 0.00 -0.15 2.29 0.11 -1.26 -4.92 120.40 117.35 2k62 s VAL 58 Ca -0.05 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.00 2k62 s VAL 58 Cb -0.06 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 2k62 s VAL 58 CO -0.07 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.67 2k62 s THR 59 N -1.57 2.83 -0.20 5.04 2.01 -1.26 -2.25 115.64 120.24 2k62 s THR 59 Ca -0.04 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 2k62 s THR 59 Cb -0.00 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 2k62 s THR 59 CO 0.03 0.51 0.18 0.20 -0.69 0.00 0.00 174.62 174.85 2k62 s ASN 60 N 0.74 6.25 -0.16 3.53 -0.87 0.13 -4.81 114.94 119.74 2k62 s ASN 60 Ca -0.06 0.28 -0.01 0.00 -1.57 0.00 0.00 52.86 51.50 2k62 s ASN 60 Cb -0.15 -2.12 0.04 0.00 -0.02 0.00 0.00 41.25 39.00 2k62 s ASN 60 CO 0.01 0.13 -0.03 -0.44 -2.57 0.00 0.00 177.10 174.21 2k62 s SER 61 N 0.53 2.77 0.06 -1.22 0.01 -1.26 -0.89 113.70 113.71 2k62 s SER 61 Ca 0.10 -0.66 0.05 0.00 1.31 0.00 0.00 55.95 56.75 2k62 s SER 61 Cb -0.12 -0.81 -0.03 0.00 0.21 0.00 0.00 66.02 65.27 2k62 s SER 61 CO 0.01 -0.21 -0.13 0.72 0.41 0.00 0.00 173.24 174.03 2k62 s PHE 62 N 1.70 1.13 -0.12 2.43 -0.71 -0.42 -4.48 117.98 117.51 2k62 s PHE 62 Ca 0.00 -0.45 -0.04 0.00 -1.04 0.00 0.00 56.93 55.40 2k62 s PHE 62 Cb -0.15 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 40.97 2k62 s PHE 62 CO -0.07 0.03 0.05 0.99 -1.34 0.00 0.00 175.22 174.88 2k62 s THR 63 N -1.23 4.75 -0.16 -4.49 2.01 -1.26 -0.09 115.64 115.17 2k62 s THR 63 Ca -0.03 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.61 2k62 s THR 63 Cb -0.10 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 2k62 s THR 63 CO 0.02 0.58 1.14 -0.76 -0.69 0.00 0.00 174.62 174.91 2k62 s LEU 64 N -0.67 4.18 0.00 4.42 1.43 0.50 -3.23 118.68 125.32 2k62 s LEU 64 Ca 0.11 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 2k62 s LEU 64 Cb -0.12 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2k62 s LEU 64 CO 0.02 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.56 2k62 n GLY 65 N 3.39 0.70 3.32 -3.19 0.00 0.88 -4.93 105.19 105.36 2k62 n GLY 65 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.18 1.32 0.06 1.61 2.47 -1.20 -5.02 119.74 118.80 2k62 s LYS 66 Ca 0.00 -1.67 -0.31 0.00 -1.56 0.00 0.00 55.97 52.43 2k62 s LYS 66 Cb 0.00 -0.51 -0.07 0.00 -1.46 0.00 0.00 37.83 35.79 2k62 s LYS 66 CO 0.00 -0.14 1.37 -2.00 0.16 0.00 0.00 175.35 174.75 2k62 s GLU 67 N -3.90 4.32 0.10 4.03 2.12 -1.26 -4.29 118.70 119.82 2k62 s GLU 67 Ca 0.29 1.99 0.03 0.00 0.36 0.00 0.00 54.97 57.64 2k62 s GLU 67 Cb 0.06 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 2k62 s GLU 67 CO 0.09 -0.48 -0.08 0.00 -0.54 0.00 0.00 175.26 174.25 2k62 s ALA 68 N 1.68 1.07 -0.13 6.30 0.00 -0.99 -4.79 121.76 124.89 2k62 s ALA 68 Ca 0.64 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 2k62 s ALA 68 Cb -0.34 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2k62 s ALA 68 CO 0.29 -0.15 0.08 -0.51 0.00 0.00 0.00 175.76 175.46 2k62 s ASP 69 N -2.83 5.85 -0.48 0.00 1.01 -1.26 -2.45 116.67 116.51 2k62 s ASP 69 Ca 0.10 0.26 -0.06 0.00 0.71 0.00 0.00 52.55 53.56 2k62 s ASP 69 Cb 0.02 -1.88 0.12 0.00 1.01 0.00 0.00 42.92 42.19 2k62 s ASP 69 CO -0.02 0.32 0.31 -0.63 0.21 0.00 0.00 175.17 175.36 2k62 s ILE 70 N -0.50 3.78 -0.68 0.77 -1.09 0.20 -4.58 121.20 119.10 2k62 s ILE 70 Ca 0.11 -2.10 -0.21 0.00 -2.23 0.00 0.00 60.65 56.22 2k62 s ILE 70 Cb -0.12 -3.52 0.09 0.00 -1.58 0.00 0.00 42.46 37.33 2k62 s ILE 70 CO 0.02 -0.76 0.89 -0.89 -1.23 0.00 0.00 174.94 172.97 2k62 s THR 71 N 1.02 4.58 0.50 2.92 2.01 -1.26 -1.64 115.64 123.78 2k62 s THR 71 Ca 0.09 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 2k62 s THR 71 Cb -0.23 -4.62 -0.01 0.00 0.01 0.00 0.00 72.50 67.64 2k62 s THR 71 CO -0.03 -1.34 0.78 0.28 -0.69 0.00 0.00 174.62 173.62 2k62 s THR 72 N 3.30 4.21 -0.29 -0.82 -1.32 -1.17 -4.61 115.64 114.94 2k62 s THR 72 Ca 0.20 -0.11 0.24 0.00 -1.21 0.00 0.00 61.69 60.80 2k62 s THR 72 Cb -0.18 -3.61 0.25 0.00 -1.51 0.00 0.00 72.50 67.45 2k62 s THR 72 CO 0.06 -0.55 1.72 0.00 -2.21 0.00 0.00 174.62 173.64 2k62 h MET 73 N 0.16 0.00 0.00 7.08 -0.00 -1.91 -2.13 114.93 118.13 2k62 h MET 73 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 2k62 h MET 73 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 2k62 h MET 73 CO 0.60 0.00 0.00 -0.25 -0.00 0.00 0.00 176.91 177.26 2k62 n ASP 74 N -2.31 0.14 0.00 -0.10 9.92 -1.26 -4.82 116.55 118.12 2k62 n ASP 74 Ca 0.00 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 2k62 n ASP 74 Cb 0.14 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 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 -0.54 0.47 3.20 0.44 0.00 -0.80 -5.03 105.19 102.94 2k62 n GLY 75 Ca 0.02 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.16 1.93 -0.12 1.61 1.02 -1.26 -5.04 119.74 116.73 2k62 s LYS 76 Ca 0.00 -0.73 -0.04 0.00 0.02 0.00 0.00 55.97 55.22 2k62 s LYS 76 Cb 0.00 -1.73 -0.03 0.00 -0.52 0.00 0.00 37.83 35.55 2k62 s LYS 76 CO 0.00 0.36 0.01 0.15 -0.92 0.00 0.00 175.35 174.95 2k62 s LYS 77 N -0.22 3.38 0.16 1.68 1.02 -1.26 -3.05 119.74 121.44 2k62 s LYS 77 Ca 0.01 -0.42 0.07 0.00 0.02 0.00 0.00 55.97 55.65 2k62 s LYS 77 Cb -0.11 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 2k62 s LYS 77 CO 0.01 0.50 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.29 2k62 s LEU 78 N -0.31 2.48 -0.04 3.17 1.43 -0.65 -4.97 118.68 119.78 2k62 s LEU 78 Ca 0.07 -0.93 0.06 0.00 -1.03 0.00 0.00 54.13 52.30 2k62 s LEU 78 Cb -0.12 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 2k62 s LEU 78 CO 0.02 -0.16 -0.24 -0.75 0.23 0.00 0.00 176.35 175.45 2k62 s LYS 79 N -3.21 2.30 0.30 1.70 2.20 -1.26 0.61 119.74 122.37 2k62 s LYS 79 Ca 0.16 -0.86 -0.02 0.00 -0.36 0.00 0.00 55.97 54.89 2k62 s LYS 79 Cb -0.02 -2.02 0.01 0.00 -1.51 0.00 0.00 37.83 34.28 2k62 s LYS 79 CO 0.05 0.41 0.43 0.00 -0.36 0.00 0.00 175.35 175.87 2k62 s THR 81 N -2.74 0.76 -0.06 0.00 2.01 -1.26 -2.34 115.64 112.01 2k62 s THR 81 Ca 0.24 -1.34 -0.20 0.00 0.31 0.00 0.00 61.69 60.70 2k62 s THR 81 Cb -0.01 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 2k62 s THR 81 CO 0.17 -0.69 0.56 0.54 -0.69 0.00 0.00 174.62 174.52 2k62 s VAL 82 N 1.65 5.04 -0.13 3.82 0.11 -1.26 -4.71 120.40 124.93 2k62 s VAL 82 Ca 0.10 1.16 0.02 0.00 -2.93 0.00 0.00 61.98 60.32 2k62 s VAL 82 Cb -0.17 -3.90 0.01 0.00 -1.53 0.00 0.00 36.38 30.79 2k62 s VAL 82 CO -0.26 0.36 -0.17 -1.38 -3.33 0.00 0.00 175.10 170.32 2k62 s HIS 83 N 0.23 2.25 -0.62 1.54 -3.43 -1.19 -0.09 115.29 113.99 2k62 s HIS 83 Ca 0.30 -1.12 -0.24 0.00 -0.80 0.00 0.00 55.06 53.20 2k62 s HIS 83 Cb -0.17 -1.59 0.05 0.00 -1.43 0.00 0.00 32.58 29.44 2k62 s HIS 83 CO 0.15 -0.55 1.02 -1.17 -2.00 0.00 0.00 174.74 172.19 2k62 s LEU 84 N 0.99 3.99 -0.30 5.38 2.96 -1.26 -3.31 118.68 127.12 2k62 s LEU 84 Ca -0.05 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 2k62 s LEU 84 Cb -0.15 -2.68 0.08 0.00 0.50 0.00 0.00 46.19 43.94 2k62 s LEU 84 CO -0.03 -1.41 -0.02 0.00 -1.32 0.00 0.00 176.35 173.57 2k62 s ALA 85 N 4.35 2.76 -1.67 5.97 0.00 -0.58 -4.67 121.76 127.92 2k62 s ALA 85 Ca 0.30 -2.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.11 2k62 s ALA 85 Cb -0.13 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2k62 s ALA 85 CO 0.16 -1.44 0.33 -1.71 0.00 0.00 0.00 175.76 173.11 2k62 n ASN 86 N 4.38 -6.06 0.00 0.00 5.15 -1.26 -1.05 115.26 116.42 2k62 n ASN 86 Ca -0.06 -0.17 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 2k62 n ASN 86 Cb 0.42 -4.96 0.00 0.00 -0.53 0.00 0.00 39.78 34.71 2k62 n ASN 86 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k62 n GLY 87 N -1.30 1.93 3.62 8.20 0.00 -1.26 -5.01 105.19 111.38 2k62 n GLY 87 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2k62 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k62 s LYS 88 N -0.40 4.04 -1.22 1.61 1.02 -0.22 -4.97 119.74 119.60 2k62 s LYS 88 Ca 0.00 0.65 -0.11 0.00 0.02 0.00 0.00 55.97 56.53 2k62 s LYS 88 Cb 0.00 -3.69 0.19 0.00 -0.52 0.00 0.00 37.83 33.81 2k62 s LYS 88 CO 0.00 -0.58 1.60 1.28 -0.92 0.00 0.00 175.35 176.73 2k62 n LEU 89 N 6.04 5.94 -4.82 3.17 4.32 -1.26 -1.53 117.00 128.86 2k62 n LEU 89 Ca 0.03 -4.65 -0.35 0.00 -0.02 0.00 0.00 56.01 51.02 2k62 n LEU 89 Cb 0.48 -1.52 -0.06 0.00 -1.62 0.00 0.00 43.42 40.70 2k62 n LEU 89 CO 0.48 1.13 0.47 -0.69 -1.22 0.00 0.00 177.39 177.55 2k62 s VAL 90 N 0.48 4.54 0.02 4.08 1.01 -1.21 -4.63 120.40 124.68 2k62 s VAL 90 Ca 0.40 1.28 -0.28 0.00 0.00 0.00 0.00 61.98 63.37 2k62 s VAL 90 Cb 0.02 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.69 2k62 s VAL 90 CO 0.01 0.05 0.68 0.28 0.00 0.00 0.00 175.10 176.11 2k62 s THR 91 N -1.71 0.00 -0.17 3.92 -1.32 -1.26 -3.17 115.64 111.93 2k62 s THR 91 Ca 0.48 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.85 2k62 s THR 91 Cb -0.15 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.90 2k62 s THR 91 CO 0.20 0.00 0.43 -0.75 -2.21 0.00 0.00 174.62 172.29 2k62 s LYS 92 N -2.16 0.45 0.00 7.08 2.20 -1.26 -3.31 119.74 122.74 2k62 s LYS 92 Ca -0.06 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 2k62 s LYS 92 Cb -0.00 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 2k62 s LYS 92 CO 0.01 -0.12 0.00 0.43 -0.36 0.00 0.00 175.35 175.31 2k62 n SER 93 N 3.72 0.88 -0.02 1.43 7.64 -0.89 -4.93 113.62 121.44 2k62 n SER 93 Ca -0.19 -0.15 -0.02 0.00 1.01 0.00 0.00 58.87 59.52 2k62 n SER 93 Cb 0.56 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.75 2k62 n SER 93 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k62 h GLU 94 N 0.00 -0.04 -1.70 1.43 4.39 -2.02 -3.30 114.58 113.34 2k62 h GLU 94 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 2k62 h GLU 94 Cb 0.00 0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 28.25 2k62 h GLU 94 CO 0.00 -0.03 -1.02 1.17 -1.16 0.00 0.00 179.01 177.97 2k62 n LYS 95 N -3.09 1.82 -3.77 2.33 4.81 -1.26 -5.06 118.16 113.95 2k62 n LYS 95 Ca -0.00 -3.80 -0.15 0.00 -0.87 0.00 0.00 58.31 53.49 2k62 n LYS 95 Cb 0.04 -1.76 -0.16 0.00 0.02 0.00 0.00 35.03 33.18 2k62 n LYS 95 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 2k62 s PHE 96 N -2.99 0.02 -0.02 5.64 5.36 -1.25 -4.81 117.98 119.92 2k62 s PHE 96 Ca 0.39 0.16 0.02 0.00 -0.96 0.00 0.00 56.93 56.54 2k62 s PHE 96 Cb 0.38 -0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.83 2k62 s PHE 96 CO -0.07 -0.10 -0.07 -1.12 -1.46 0.00 0.00 175.22 172.40 2k62 s SER 97 N 1.10 1.00 -0.00 6.13 0.01 -1.26 -2.10 113.70 118.58 2k62 s SER 97 Ca -0.09 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.04 2k62 s SER 97 Cb -0.13 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.81 2k62 s SER 97 CO -0.03 0.04 -0.07 -2.28 0.41 0.00 0.00 173.24 171.31 2k62 s HIS 98 N 0.27 0.60 0.07 2.43 2.46 -1.21 -1.98 115.29 117.93 2k62 s HIS 98 Ca -0.04 -0.13 0.01 0.00 0.47 0.00 0.00 55.06 55.37 2k62 s HIS 98 Cb -0.08 -0.39 -0.04 0.00 -0.13 0.00 0.00 32.58 31.94 2k62 s HIS 98 CO 0.00 -0.01 -0.05 -2.00 -2.47 0.00 0.00 174.74 170.21 2k62 s GLU 99 N -0.22 0.69 -0.03 2.88 2.56 -0.92 -4.09 118.70 119.57 2k62 s GLU 99 Ca 0.02 -1.20 0.02 0.00 0.00 0.00 0.00 54.97 53.81 2k62 s GLU 99 Cb -0.03 -0.03 0.01 0.00 2.00 0.00 0.00 34.13 36.08 2k62 s GLU 99 CO -0.00 -0.05 -0.08 -0.65 -0.56 0.00 0.00 175.26 173.92 2k62 s GLN 100 N -3.55 0.87 -0.42 4.30 -1.52 -1.26 -3.70 119.66 114.39 2k62 s GLN 100 Ca 0.07 -0.24 0.02 0.00 -1.95 0.00 0.00 55.36 53.25 2k62 s GLN 100 Cb 0.04 -0.83 0.14 0.00 -0.22 0.00 0.00 33.01 32.14 2k62 s GLN 100 CO -0.06 0.07 0.23 -1.21 -0.25 0.00 0.00 175.29 174.07 2k62 s GLU 101 N 0.33 1.09 -0.35 2.91 0.41 -0.84 -4.92 118.70 117.33 2k62 s GLU 101 Ca -0.05 -1.82 -0.10 0.00 -0.41 0.00 0.00 54.97 52.58 2k62 s GLU 101 Cb -0.09 -2.06 0.01 0.00 -1.78 0.00 0.00 34.13 30.21 2k62 s GLU 101 CO 0.00 -1.17 0.18 0.08 -0.49 0.00 0.00 175.26 173.86 2k62 s VAL 102 N 0.54 4.58 -0.30 2.63 1.01 -1.26 0.00 120.40 127.61 2k62 s VAL 102 Ca 0.18 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 2k62 s VAL 102 Cb -0.24 -3.46 0.09 0.00 0.00 0.00 0.00 36.38 32.77 2k62 s VAL 102 CO 0.00 -0.10 0.08 -0.54 0.00 0.00 0.00 175.10 174.54 2k62 s LYS 103 N 1.58 0.87 4.06 2.72 1.02 0.56 -5.00 119.74 125.55 2k62 s LYS 103 Ca 0.03 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 54.90 2k62 s LYS 103 Cb -0.18 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 2k62 s LYS 103 CO 0.06 -0.93 0.00 0.41 -0.92 0.00 0.00 175.35 173.98 2k62 n GLY 104 N 4.77 1.34 0.10 -3.33 0.00 -1.26 -1.89 105.19 104.92 2k62 n GLY 104 Ca -0.02 0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.30 2k62 n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k62 n ASN 105 N 7.53 2.23 -4.18 1.61 3.02 -1.26 -5.01 115.26 119.21 2k62 n ASN 105 Ca 0.00 -3.05 -0.28 0.00 -0.03 0.00 0.00 54.58 51.23 2k62 n ASN 105 Cb 0.00 -0.42 -0.16 0.00 -0.61 0.00 0.00 39.78 38.59 2k62 n ASN 105 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k62 s GLU 106 N -2.75 1.99 -0.21 3.52 2.12 -0.79 -2.32 118.70 120.27 2k62 s GLU 106 Ca 0.31 -0.70 -0.00 0.00 0.36 0.00 0.00 54.97 54.93 2k62 s GLU 106 Cb 0.27 -1.73 0.05 0.00 0.26 0.00 0.00 34.13 32.98 2k62 s GLU 106 CO 0.03 0.30 -0.05 1.41 -0.54 0.00 0.00 175.26 176.40 2k62 s MET 107 N -0.05 1.51 -0.23 4.30 -2.45 0.83 -0.32 119.30 122.88 2k62 s MET 107 Ca -0.03 -0.78 -0.11 0.00 -1.25 0.00 0.00 55.69 53.52 2k62 s MET 107 Cb -0.12 -2.36 -0.05 0.00 1.25 0.00 0.00 34.83 33.56 2k62 s MET 107 CO 0.02 -0.54 0.20 0.08 1.05 0.00 0.00 175.02 175.84 2k62 s VAL 108 N 1.51 5.33 0.21 10.11 1.01 0.10 -0.21 120.40 138.47 2k62 s VAL 108 Ca -0.03 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2k62 s VAL 108 Cb -0.17 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2k62 s VAL 108 CO -0.07 0.33 0.38 -1.61 0.00 0.00 0.00 175.10 174.13 2k62 s GLU 109 N 1.10 3.49 -0.27 2.72 0.41 0.78 -1.98 118.70 124.95 2k62 s GLU 109 Ca 0.10 -0.44 -0.00 0.00 -0.41 0.00 0.00 54.97 54.22 2k62 s GLU 109 Cb -0.14 -2.85 0.15 0.00 -1.78 0.00 0.00 34.13 29.51 2k62 s GLU 109 CO 0.05 0.40 0.41 0.99 -0.49 0.00 0.00 175.26 176.63 2k62 s THR 110 N -1.90 -0.66 -0.08 3.63 2.01 -1.24 -3.18 115.64 114.23 2k62 s THR 110 Ca 0.37 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.23 2k62 s THR 110 Cb -0.11 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.51 2k62 s THR 110 CO 0.30 -0.18 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.32 2k62 s ILE 111 N 2.58 1.04 -0.64 1.82 1.01 -0.98 -2.17 121.20 123.86 2k62 s ILE 111 Ca 0.12 -0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 2k62 s ILE 111 Cb -0.14 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.39 2k62 s ILE 111 CO -0.22 0.35 1.04 -0.89 0.00 0.00 0.00 174.94 175.21 2k62 s THR 112 N 1.01 4.19 -0.13 2.92 2.01 -0.84 0.03 115.64 124.84 2k62 s THR 112 Ca -0.08 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.02 2k62 s THR 112 Cb -0.15 -4.69 0.02 0.00 0.01 0.00 0.00 72.50 67.69 2k62 s THR 112 CO -0.00 -1.43 -0.14 -0.36 -0.69 0.00 0.00 174.62 172.00 2k62 s PHE 113 N 4.45 2.00 -1.43 4.92 0.08 0.00 -4.16 117.98 123.85 2k62 s PHE 113 Ca 0.29 -1.03 0.00 0.00 0.12 0.00 0.00 56.93 56.31 2k62 s PHE 113 Cb -0.13 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 2k62 s PHE 113 CO 0.15 -0.56 0.00 0.41 -0.10 0.00 0.00 175.22 175.12 2k62 n GLY 114 N 4.53 1.35 1.12 4.36 0.00 -1.26 -2.02 105.19 113.27 2k62 n GLY 114 Ca -0.17 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.30 0.95 3.35 -0.02 0.00 -1.26 -4.91 105.19 102.00 2k62 n GLY 115 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.52 2.27 -0.27 1.61 0.11 -0.85 -5.10 120.40 115.65 2k62 s VAL 116 Ca 0.00 -1.05 -0.23 0.00 -2.93 0.00 0.00 61.98 57.77 2k62 s VAL 116 Cb 0.00 -1.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.02 2k62 s VAL 116 CO 0.00 0.56 0.74 0.42 -3.33 0.00 0.00 175.10 173.49 2k62 s THR 117 N -0.65 4.88 0.09 5.04 -4.23 -1.26 -0.82 115.64 118.69 2k62 s THR 117 Ca 0.11 1.26 -0.26 0.00 -1.18 0.00 0.00 61.69 61.62 2k62 s THR 117 Cb -0.10 -4.06 -0.06 0.00 1.34 0.00 0.00 72.50 69.62 2k62 s THR 117 CO -0.00 -0.09 0.81 -0.76 -0.54 0.00 0.00 174.62 174.03 2k62 s LEU 118 N 2.75 4.50 -0.27 4.79 1.43 0.10 -4.85 118.68 127.13 2k62 s LEU 118 Ca 0.31 1.57 0.02 0.00 -1.03 0.00 0.00 54.13 55.00 2k62 s LEU 118 Cb -0.15 -3.32 0.07 0.00 0.03 0.00 0.00 46.19 42.82 2k62 s LEU 118 CO 0.09 0.05 -0.05 -0.63 0.23 0.00 0.00 176.35 176.04 2k62 s ILE 119 N -0.35 1.95 -0.16 -0.59 1.01 -1.26 -2.33 121.20 119.48 2k62 s ILE 119 Ca 0.39 -1.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.39 2k62 s ILE 119 Cb -0.22 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2k62 s ILE 119 CO 0.25 -0.18 -0.09 -0.60 0.00 0.00 0.00 174.94 174.32 2k62 s ARG 120 N 1.17 3.43 -0.25 2.79 6.06 -1.19 -4.59 118.95 126.37 2k62 s ARG 120 Ca -0.04 -0.64 -0.09 0.00 -2.50 0.00 0.00 55.73 52.47 2k62 s ARG 120 Cb -0.19 -2.79 -0.04 0.00 0.06 0.00 0.00 34.95 31.99 2k62 s ARG 120 CO -0.07 0.10 0.11 1.03 -2.50 0.00 0.00 175.30 173.97 2k62 s ARG 121 N 0.68 3.82 -0.19 5.12 0.52 -1.20 -0.16 118.95 127.54 2k62 s ARG 121 Ca -0.05 -0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 54.73 2k62 s ARG 121 Cb -0.15 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 2k62 s ARG 121 CO 0.02 -0.09 -0.05 -1.12 0.02 0.00 0.00 175.30 174.08 2k62 s SER 122 N 1.41 4.45 0.41 0.23 0.01 0.71 -0.37 113.70 120.56 2k62 s SER 122 Ca 0.06 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.10 2k62 s SER 122 Cb -0.15 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 2k62 s SER 122 CO 0.05 0.06 0.25 -1.59 0.41 0.00 0.00 173.24 172.43 2k62 s LYS 123 N 1.01 2.35 -1.20 12.44 -2.85 0.09 -0.12 119.74 131.46 2k62 s LYS 123 Ca 0.00 -1.71 -0.11 0.00 -1.00 0.00 0.00 55.97 53.16 2k62 s LYS 123 Cb -0.15 -2.14 -0.07 0.00 -2.06 0.00 0.00 37.83 33.41 2k62 s LYS 123 CO 0.00 -0.13 2.37 2.89 0.10 0.00 0.00 175.35 180.58 2k62 n ARG 124 N -1.35 2.63 -0.57 1.78 1.85 -0.98 -0.38 116.66 119.64 2k62 n ARG 124 Ca 0.01 -1.93 0.00 0.00 -1.00 0.00 0.00 57.85 54.92 2k62 n ARG 124 Cb 0.63 -2.77 0.00 0.00 -1.05 0.00 0.00 32.46 29.28 2k62 n ARG 124 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90