#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 0.03 -1.68 0.00 3.01 -1.26 -4.96 117.46 112.60 2k62 n PHE 2 Ca 0.00 0.01 -0.44 0.00 1.01 0.00 0.00 57.45 58.03 2k62 n PHE 2 Cb 0.00 -0.19 -0.02 0.00 -0.01 0.00 0.00 39.48 39.26 2k62 n PHE 2 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2k62 n SER 3 N -1.56 2.83 0.00 4.37 7.64 -1.26 -4.77 113.62 120.86 2k62 n SER 3 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2k62 n SER 3 Cb 0.35 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 2k62 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k62 n GLY 4 N 1.91 -0.07 3.09 0.23 0.00 -0.92 -4.98 105.19 104.45 2k62 n GLY 4 Ca 0.10 -1.60 -0.30 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 -2.47 1.67 0.08 2.61 2.01 -1.26 -0.93 115.64 117.35 2k62 s THR 5 Ca 0.00 -0.75 0.10 0.00 0.31 0.00 0.00 61.69 61.35 2k62 s THR 5 Cb 0.00 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 2k62 s THR 5 CO 0.00 0.47 -0.25 0.26 -0.69 0.00 0.00 174.62 174.41 2k62 s TRP 6 N 0.90 2.36 -0.19 4.92 0.52 0.16 -4.13 118.94 123.47 2k62 s TRP 6 Ca -0.08 -0.37 -0.04 0.00 0.02 0.00 0.00 56.10 55.64 2k62 s TRP 6 Cb -0.15 -1.34 -0.02 0.00 -1.15 0.00 0.00 33.47 30.81 2k62 s TRP 6 CO -0.01 0.24 -0.05 -1.14 0.02 0.00 0.00 176.95 176.02 2k62 s GLN 7 N -1.65 3.47 0.10 4.98 2.00 0.36 -0.35 119.66 128.57 2k62 s GLN 7 Ca 0.13 -0.60 -0.14 0.00 -2.00 0.00 0.00 55.36 52.75 2k62 s GLN 7 Cb -0.10 -2.96 -0.07 0.00 0.80 0.00 0.00 33.01 30.69 2k62 s GLN 7 CO 0.05 -0.04 0.51 0.14 -0.50 0.00 0.00 175.29 175.45 2k62 s VAL 8 N 1.08 4.90 -0.40 1.34 -7.23 -1.26 -0.67 120.40 118.15 2k62 s VAL 8 Ca 0.01 0.83 0.06 0.00 -1.81 0.00 0.00 61.98 61.07 2k62 s VAL 8 Cb -0.15 -3.74 0.17 0.00 0.56 0.00 0.00 36.38 33.22 2k62 s VAL 8 CO 0.00 0.35 0.51 -0.72 -0.31 0.00 0.00 175.10 174.93 2k62 s TYR 9 N -1.34 -1.02 0.08 2.82 1.13 -0.57 -4.86 117.35 113.60 2k62 s TYR 9 Ca 0.34 -0.33 -0.26 0.00 -1.41 0.00 0.00 57.07 55.41 2k62 s TYR 9 Cb -0.16 -0.04 0.07 0.00 -1.10 0.00 0.00 41.96 40.74 2k62 s TYR 9 CO 0.18 -1.08 0.65 0.00 -2.51 0.00 0.00 175.55 172.80 2k62 s ALA 10 N 1.58 -1.67 0.00 9.51 0.00 -1.26 -4.60 121.76 125.31 2k62 s ALA 10 Ca 0.17 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2k62 s ALA 10 Cb -0.09 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2k62 s ALA 10 CO -0.05 -0.64 0.94 0.94 0.00 0.00 0.00 175.76 176.95 2k62 n GLN 11 N 0.02 0.00 -1.91 0.00 7.27 -1.26 -5.00 117.38 116.50 2k62 n GLN 11 Ca -0.17 -0.91 -0.43 0.00 0.07 0.00 0.00 57.00 55.56 2k62 n GLN 11 Cb 0.62 -0.47 -0.03 0.00 2.41 0.00 0.00 30.24 32.77 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 3.56 -1.72 3.69 0.41 -1.26 -2.17 118.70 121.21 2k62 s GLU 12 Ca 0.00 1.80 0.00 0.00 -0.41 0.00 0.00 54.97 56.36 2k62 s GLU 12 Cb 0.00 -4.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.18 2k62 s GLU 12 CO 0.00 -1.60 0.00 0.09 -0.49 0.00 0.00 175.26 173.26 2k62 n ASN 13 N 9.60 -5.22 0.09 -0.19 3.02 -1.26 -3.98 115.26 117.31 2k62 n ASN 13 Ca 0.23 0.20 -0.04 0.00 -0.03 0.00 0.00 54.58 54.94 2k62 n ASN 13 Cb 0.45 -4.30 -0.02 0.00 -0.61 0.00 0.00 39.78 35.30 2k62 n ASN 13 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2k62 h TYR 14 N 0.00 -0.22 0.00 3.10 -1.99 -1.82 -2.40 116.97 113.64 2k62 h TYR 14 Ca -0.40 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.32 2k62 h TYR 14 Cb 1.25 0.07 -0.00 0.00 2.00 0.00 0.00 36.73 40.06 2k62 h TYR 14 CO 0.49 -0.14 -0.00 1.05 -0.00 0.00 0.00 178.16 179.56 2k62 h GLU 15 N -0.27 0.00 -0.39 4.88 9.09 -1.92 -0.21 114.58 125.76 2k62 h GLU 15 Ca -0.02 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.36 2k62 h GLU 15 Cb 0.18 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.27 2k62 h GLU 15 CO 0.04 0.00 0.16 0.93 0.05 0.00 0.00 179.01 180.19 2k62 h GLU 16 N 0.00 0.58 0.03 1.06 4.39 -1.93 -1.83 114.58 116.87 2k62 h GLU 16 Ca -0.00 -0.10 -0.23 0.00 0.34 0.00 0.00 59.36 59.37 2k62 h GLU 16 Cb 0.01 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2k62 h GLU 16 CO 0.00 0.54 -0.99 0.35 -1.16 0.00 0.00 179.01 177.75 2k62 h PHE 17 N 0.48 0.55 -0.11 4.33 3.57 -0.79 -3.30 116.94 121.67 2k62 h PHE 17 Ca 0.13 -0.32 0.04 0.00 3.53 0.00 0.00 57.97 61.35 2k62 h PHE 17 Cb 0.18 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2k62 h PHE 17 CO -0.00 1.16 -0.14 -0.07 -2.23 0.00 0.00 178.31 177.02 2k62 h LEU 18 N 0.18 -0.44 0.00 0.59 3.38 -0.84 0.30 115.31 118.49 2k62 h LEU 18 Ca -0.09 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k62 h LEU 18 Cb 1.65 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2k62 h LEU 18 CO 0.17 -0.19 0.00 0.29 0.09 0.00 0.00 178.44 178.80 2k62 n LYS 19 N -5.29 0.53 0.00 1.13 4.76 -0.71 -1.67 118.16 116.92 2k62 n LYS 19 Ca -0.03 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.45 2k62 n LYS 19 Cb 0.20 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 2k62 n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k62 n ALA 20 N -0.95 2.93 -2.70 7.82 0.00 -0.03 -4.94 120.51 122.64 2k62 n ALA 20 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2k62 n ALA 20 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2k62 n ALA 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k62 n LEU 21 N -0.77 0.00 -1.00 0.00 0.00 -0.48 -4.97 117.00 109.78 2k62 n LEU 21 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 56.02 2k62 n LEU 21 Cb 0.15 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.60 2k62 n LEU 21 CO 0.14 0.00 0.51 0.00 0.00 0.00 0.00 177.39 178.04 2k62 n ALA 22 N -3.00 2.75 -2.91 1.96 0.00 -1.26 -4.78 120.51 113.27 2k62 n ALA 22 Ca 0.00 -0.25 -0.44 0.00 0.00 0.00 0.00 53.44 52.75 2k62 n ALA 22 Cb 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.30 5.56 0.00 0.00 2.01 -1.11 -4.92 118.68 119.92 2k62 s LEU 23 Ca 0.05 -1.34 0.00 0.00 0.01 0.00 0.00 54.13 52.85 2k62 s LEU 23 Cb 0.04 -2.16 0.00 0.00 0.01 0.00 0.00 46.19 44.08 2k62 s LEU 23 CO 0.01 -0.63 1.33 -0.81 1.01 0.00 0.00 176.35 177.26 2k62 n PRO 24 N 5.17 0.81 0.00 1.29 -0.04 -1.26 -4.42 135.00 136.55 2k62 n PRO 24 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2k62 n PRO 24 Cb 0.44 -1.09 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 -1.91 -0.04 0.00 0.00 175.50 173.55 2k62 n GLU 25 N 1.23 0.00 0.23 0.54 2.13 -1.26 -4.50 120.64 119.01 2k62 n GLU 25 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 2k62 n GLU 25 Cb 0.41 0.00 0.70 0.00 0.27 0.00 0.00 31.44 32.82 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 -0.03 4.31 3.58 -2.00 -0.50 116.42 121.78 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 -4.37 0.52 -0.16 2.28 4.77 -1.26 -3.61 117.00 115.16 2k62 n LEU 27 Ca -0.01 -0.20 -0.06 0.00 -0.03 0.00 0.00 56.01 55.71 2k62 n LEU 27 Cb 0.17 -0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.34 2k62 n LEU 27 CO 0.33 0.10 0.86 0.40 -1.33 0.00 0.00 177.39 177.75 2k62 h ILE 28 N 0.74 1.25 0.00 -0.08 2.04 -1.45 -0.90 117.51 119.12 2k62 h ILE 28 Ca 0.00 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 2k62 h ILE 28 Cb 0.16 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2k62 h ILE 28 CO 0.00 0.38 -0.21 0.11 0.00 0.00 0.00 178.15 178.44 2k62 h LYS 29 N 0.86 0.00 0.23 2.37 1.79 -1.76 -1.88 116.57 118.17 2k62 h LYS 29 Ca 0.16 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.33 2k62 h LYS 29 Cb 0.49 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.18 2k62 h LYS 29 CO 0.02 0.21 -1.30 1.98 -1.08 0.00 0.00 179.45 179.28 2k62 h MET 30 N 0.00 0.48 -0.78 3.15 4.05 -1.62 -3.25 114.93 116.96 2k62 h MET 30 Ca -0.00 -0.82 -0.04 0.00 -0.28 0.00 0.00 59.70 58.56 2k62 h MET 30 Cb 0.39 0.31 -0.04 0.00 -0.80 0.00 0.00 31.60 31.46 2k62 h MET 30 CO 0.03 1.39 0.35 0.00 0.23 0.00 0.00 176.91 178.91 2k62 h ALA 31 N 0.13 1.01 0.00 0.39 0.00 -0.83 -0.84 119.26 119.12 2k62 h ALA 31 Ca -0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k62 h ALA 31 Cb 2.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2k62 h ALA 31 CO 0.25 0.60 0.00 2.89 0.00 0.00 0.00 179.25 182.99 2k62 n ARG 32 N -4.34 0.16 -0.03 0.00 -4.01 -0.74 -2.15 116.66 105.56 2k62 n ARG 32 Ca 0.07 0.12 0.04 0.00 -1.04 0.00 0.00 57.85 57.05 2k62 n ARG 32 Cb 0.16 -1.50 0.05 0.00 -3.04 0.00 0.00 32.46 28.13 2k62 n ARG 32 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2k62 n ASP 33 N -1.38 1.93 0.21 2.89 2.03 -0.58 -4.72 116.55 116.94 2k62 n ASP 33 Ca 0.07 -1.50 -0.09 0.00 0.52 0.00 0.00 54.79 53.80 2k62 n ASP 33 Cb 0.19 -0.04 -0.04 0.00 -0.72 0.00 0.00 41.12 40.51 2k62 n ASP 33 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2k62 h ILE 34 N 1.63 0.00 -5.79 5.18 1.08 -0.67 -3.48 117.51 115.46 2k62 h ILE 34 Ca 0.00 -0.16 -0.31 0.00 -0.39 0.00 0.00 64.86 64.01 2k62 h ILE 34 Cb 0.43 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 2k62 h ILE 34 CO 0.00 0.00 -0.76 2.29 -0.69 0.00 0.00 178.15 178.99 2k62 n LYS 35 N -3.93 -1.10 -2.88 2.37 2.85 -1.26 -4.80 118.16 109.42 2k62 n LYS 35 Ca -0.07 0.63 -0.34 0.00 -1.05 0.00 0.00 58.31 57.48 2k62 n LYS 35 Cb 0.22 -1.40 -0.07 0.00 -0.65 0.00 0.00 35.03 33.13 2k62 n LYS 35 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2k62 s PRO 36 N -3.20 4.27 0.37 -1.58 0.04 -1.26 -4.87 135.00 128.77 2k62 s PRO 36 Ca 0.08 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 61.96 2k62 s PRO 36 Cb -0.01 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 2k62 s PRO 36 CO 0.59 0.09 1.02 0.96 0.04 0.00 0.00 177.00 179.69 2k62 s ILE 37 N -1.99 3.88 -0.49 0.56 -4.36 -1.25 -4.23 121.20 113.32 2k62 s ILE 37 Ca 0.57 1.49 -0.11 0.00 -0.26 0.00 0.00 60.65 62.34 2k62 s ILE 37 Cb -0.12 -3.79 0.12 0.00 1.25 0.00 0.00 42.46 39.92 2k62 s ILE 37 CO 0.16 0.06 0.38 -0.69 0.24 0.00 0.00 174.94 175.09 2k62 s VAL 38 N -1.63 4.51 -0.36 8.37 1.01 0.53 -4.33 120.40 128.50 2k62 s VAL 38 Ca 0.55 -1.67 -0.13 0.00 0.00 0.00 0.00 61.98 60.73 2k62 s VAL 38 Cb -0.21 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 2k62 s VAL 38 CO 0.27 -0.78 0.25 -0.70 0.00 0.00 0.00 175.10 174.14 2k62 s GLU 39 N 1.44 3.27 -0.26 2.72 2.12 -1.17 -0.66 118.70 126.15 2k62 s GLU 39 Ca 0.05 -0.80 -0.06 0.00 0.36 0.00 0.00 54.97 54.52 2k62 s GLU 39 Cb -0.27 -3.85 -0.01 0.00 0.26 0.00 0.00 34.13 30.27 2k62 s GLU 39 CO 0.01 -0.56 0.04 0.42 -0.54 0.00 0.00 175.26 174.63 2k62 s ILE 40 N 1.69 3.92 -0.11 -3.70 1.01 -0.11 -1.84 121.20 122.06 2k62 s ILE 40 Ca 0.05 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2k62 s ILE 40 Cb -0.18 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.40 2k62 s ILE 40 CO 0.10 0.26 -0.22 -1.58 0.00 0.00 0.00 174.94 173.50 2k62 s GLN 41 N 1.53 2.89 -0.16 2.79 0.74 0.11 -2.17 119.66 125.39 2k62 s GLN 41 Ca 0.05 -0.82 -0.02 0.00 0.05 0.00 0.00 55.36 54.62 2k62 s GLN 41 Cb -0.16 -2.25 -0.02 0.00 1.10 0.00 0.00 33.01 31.69 2k62 s GLN 41 CO 0.01 0.09 -0.09 -1.14 -0.55 0.00 0.00 175.29 173.62 2k62 s GLN 42 N 0.55 3.45 -0.24 1.67 0.74 -1.26 0.22 119.66 124.78 2k62 s GLN 42 Ca -0.14 -0.63 0.14 0.00 0.05 0.00 0.00 55.36 54.77 2k62 s GLN 42 Cb -0.17 -2.79 0.78 0.00 1.10 0.00 0.00 33.01 31.93 2k62 s GLN 42 CO 0.05 0.11 1.72 0.36 -0.55 0.00 0.00 175.29 176.98 2k62 n LYS 43 N 3.86 4.54 0.00 1.67 2.85 -0.88 -4.95 118.16 125.25 2k62 n LYS 43 Ca -0.18 -3.13 0.00 0.00 -1.05 0.00 0.00 58.31 53.95 2k62 n LYS 43 Cb 0.52 -2.22 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 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 0.38 2.79 0.50 2.58 0.00 -1.26 -4.60 105.19 105.59 2k62 n GLY 44 Ca 0.29 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 2.16 1.32 -4.83 1.61 5.75 -1.26 -4.99 116.55 116.31 2k62 n ASP 45 Ca 0.00 0.11 -0.35 0.00 -0.01 0.00 0.00 54.79 54.54 2k62 n ASP 45 Cb 0.00 -0.33 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 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 -5.93 6.93 -0.30 -1.12 1.11 -1.26 -0.97 116.67 115.12 2k62 s ASP 46 Ca -0.17 1.32 -0.05 0.00 0.18 0.00 0.00 52.55 53.83 2k62 s ASP 46 Cb 0.06 -2.38 0.02 0.00 1.07 0.00 0.00 42.92 41.69 2k62 s ASP 46 CO 0.23 -0.04 0.06 0.12 1.18 0.00 0.00 175.17 176.72 2k62 s PHE 47 N -1.68 3.18 -0.26 4.23 5.36 0.21 -2.08 117.98 126.94 2k62 s PHE 47 Ca 0.46 -1.28 -0.13 0.00 -0.96 0.00 0.00 56.93 55.02 2k62 s PHE 47 Cb -0.14 -2.22 -0.05 0.00 -0.34 0.00 0.00 43.02 40.27 2k62 s PHE 47 CO 0.20 -0.67 0.26 0.08 -1.46 0.00 0.00 175.22 173.63 2k62 s VAL 48 N 1.42 5.27 -0.09 3.12 1.01 0.13 -2.07 120.40 129.19 2k62 s VAL 48 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.35 2k62 s VAL 48 Cb -0.18 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2k62 s VAL 48 CO 0.01 0.24 -0.19 -0.69 0.00 0.00 0.00 175.10 174.47 2k62 s VAL 49 N 1.67 1.69 -0.12 2.92 1.01 0.73 0.05 120.40 128.34 2k62 s VAL 49 Ca 0.11 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2k62 s VAL 49 Cb -0.15 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2k62 s VAL 49 CO 0.09 0.48 -0.08 -0.89 0.00 0.00 0.00 175.10 174.70 2k62 s THR 50 N 0.56 3.58 -0.27 3.92 2.01 -0.77 -0.53 115.64 124.14 2k62 s THR 50 Ca -0.15 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.38 2k62 s THR 50 Cb -0.17 -2.52 0.07 0.00 0.01 0.00 0.00 72.50 69.90 2k62 s THR 50 CO 0.05 0.53 -0.03 -0.44 -0.69 0.00 0.00 174.62 174.04 2k62 s SER 51 N 0.03 4.24 -0.13 3.53 0.01 -0.65 -3.07 113.70 117.66 2k62 s SER 51 Ca -0.01 -1.50 -0.06 0.00 1.31 0.00 0.00 55.95 55.69 2k62 s SER 51 Cb -0.14 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 2k62 s SER 51 CO 0.03 -0.27 0.09 -0.54 0.41 0.00 0.00 173.24 172.96 2k62 s LYS 52 N 1.22 3.48 0.12 12.44 1.02 -1.26 -2.41 119.74 134.35 2k62 s LYS 52 Ca -0.02 -0.25 -0.11 0.00 0.02 0.00 0.00 55.97 55.61 2k62 s LYS 52 Cb -0.19 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 34.02 2k62 s LYS 52 CO -0.08 0.63 0.29 0.95 -0.92 0.00 0.00 175.35 176.22 2k62 s THR 53 N -0.62 0.10 0.00 2.17 -4.23 -0.89 -3.85 115.64 108.31 2k62 s THR 53 Ca 0.12 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 2k62 s THR 53 Cb -0.12 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.32 2k62 s THR 53 CO 0.02 -0.45 1.32 -0.81 -0.54 0.00 0.00 174.62 174.16 2k62 n PRO 54 N -0.16 0.78 0.00 3.99 -0.04 -1.26 -3.26 135.00 135.06 2k62 n PRO 54 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2k62 n PRO 54 Cb 0.63 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 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 1.29 0.00 -3.63 0.54 3.00 -1.26 -5.16 116.66 111.44 2k62 n ARG 55 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 2k62 n ARG 55 Cb 0.39 -0.12 0.02 0.00 0.00 0.00 0.00 32.46 32.75 2k62 n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k62 n GLN 56 N -2.06 0.98 -3.75 -0.14 0.00 -1.20 -5.19 117.38 106.02 2k62 n GLN 56 Ca 0.00 -2.19 -0.13 0.00 0.00 0.00 0.00 57.00 54.68 2k62 n GLN 56 Cb 0.00 2.58 -0.08 0.00 0.00 0.00 0.00 30.24 32.74 2k62 n GLN 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2k62 s THR 57 N -2.29 0.06 0.06 -0.39 2.01 -1.26 -2.10 115.64 111.73 2k62 s THR 57 Ca 0.17 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 2k62 s THR 57 Cb -0.04 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.82 2k62 s THR 57 CO 0.13 -0.27 0.31 0.54 -0.69 0.00 0.00 174.62 174.63 2k62 s VAL 58 N -1.52 0.09 -0.06 3.82 0.11 -1.01 -4.96 120.40 116.88 2k62 s VAL 58 Ca -0.12 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 58.24 2k62 s VAL 58 Cb -0.04 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 2k62 s VAL 58 CO 0.03 -0.40 -0.14 0.28 -3.33 0.00 0.00 175.10 171.54 2k62 s THR 59 N -2.87 1.26 0.13 5.04 -1.32 -1.26 -1.64 115.64 114.98 2k62 s THR 59 Ca -0.03 -0.58 0.11 0.00 -1.21 0.00 0.00 61.69 59.98 2k62 s THR 59 Cb 0.00 -1.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 2k62 s THR 59 CO -0.05 0.38 -0.27 0.20 -2.21 0.00 0.00 174.62 172.67 2k62 s ASN 60 N 0.40 3.28 -0.22 8.08 0.01 0.31 -4.88 114.94 121.92 2k62 s ASN 60 Ca -0.11 -0.75 -0.04 0.00 -0.71 0.00 0.00 52.86 51.26 2k62 s ASN 60 Cb -0.14 -0.22 0.12 0.00 0.41 0.00 0.00 41.25 41.42 2k62 s ASN 60 CO 0.03 0.17 0.35 -0.94 -1.51 0.00 0.00 177.10 175.21 2k62 s SER 61 N -2.06 0.37 -0.07 -1.22 1.04 -1.22 -0.19 113.70 110.35 2k62 s SER 61 Ca 0.14 0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.87 2k62 s SER 61 Cb -0.10 1.00 0.00 0.00 0.10 0.00 0.00 66.02 67.02 2k62 s SER 61 CO 0.06 -0.29 -0.18 0.72 0.98 0.00 0.00 173.24 174.53 2k62 s PHE 62 N 2.51 1.92 -0.21 5.02 -0.71 -0.88 -4.74 117.98 120.88 2k62 s PHE 62 Ca 0.09 -0.70 -0.29 0.00 -1.04 0.00 0.00 56.93 54.99 2k62 s PHE 62 Cb -0.15 -1.32 -0.00 0.00 -1.21 0.00 0.00 43.02 40.34 2k62 s PHE 62 CO -0.14 -0.29 1.21 0.99 -1.34 0.00 0.00 175.22 175.64 2k62 s THR 63 N 0.37 4.36 -0.24 -4.49 2.01 -1.26 -0.62 115.64 115.78 2k62 s THR 63 Ca -0.13 1.63 -0.29 0.00 0.31 0.00 0.00 61.69 63.21 2k62 s THR 63 Cb -0.15 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2k62 s THR 63 CO 0.05 -0.23 1.67 -0.76 -0.69 0.00 0.00 174.62 174.67 2k62 s LEU 64 N 3.59 3.82 0.00 4.42 1.43 -0.14 -2.07 118.68 129.72 2k62 s LEU 64 Ca 0.52 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 2k62 s LEU 64 Cb -0.19 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2k62 s LEU 64 CO 0.14 -1.36 0.00 0.61 0.23 0.00 0.00 176.35 175.97 2k62 n GLY 65 N 4.84 0.74 3.24 -3.19 0.00 0.36 -4.84 105.19 106.34 2k62 n GLY 65 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 2k62 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k62 s LYS 66 N -0.66 1.21 -0.18 1.61 -0.14 -0.88 -5.01 119.74 115.68 2k62 s LYS 66 Ca 0.00 -1.62 -0.29 0.00 -1.36 0.00 0.00 55.97 52.70 2k62 s LYS 66 Cb 0.00 -0.06 -0.00 0.00 -1.68 0.00 0.00 37.83 36.09 2k62 s LYS 66 CO 0.00 -0.27 1.07 -2.00 -0.76 0.00 0.00 175.35 173.39 2k62 s GLU 67 N -4.03 4.30 0.21 1.68 2.56 -1.26 -4.05 118.70 118.11 2k62 s GLU 67 Ca 0.32 1.42 0.03 0.00 0.00 0.00 0.00 54.97 56.74 2k62 s GLU 67 Cb 0.07 -3.63 -0.05 0.00 2.00 0.00 0.00 34.13 32.52 2k62 s GLU 67 CO 0.09 -0.56 0.01 0.00 -0.56 0.00 0.00 175.26 174.24 2k62 s ALA 68 N 2.92 1.65 -0.09 6.30 0.00 -1.13 -4.92 121.76 126.50 2k62 s ALA 68 Ca 0.47 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 2k62 s ALA 68 Cb -0.17 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2k62 s ALA 68 CO 0.11 -0.30 0.01 0.16 0.00 0.00 0.00 175.76 175.74 2k62 s ASP 69 N -3.26 5.33 -0.04 0.00 -4.77 -1.26 -1.03 116.67 111.64 2k62 s ASP 69 Ca 0.28 0.16 0.06 0.00 -3.30 0.00 0.00 52.55 49.76 2k62 s ASP 69 Cb 0.06 -1.54 -0.01 0.00 -1.09 0.00 0.00 42.92 40.34 2k62 s ASP 69 CO 0.08 0.37 -0.24 -0.63 0.70 0.00 0.00 175.17 175.45 2k62 s ILE 70 N -0.84 1.93 -0.22 2.11 -1.09 0.18 -4.72 121.20 118.55 2k62 s ILE 70 Ca 0.13 -1.02 -0.02 0.00 -2.23 0.00 0.00 60.65 57.51 2k62 s ILE 70 Cb -0.11 -1.62 0.06 0.00 -1.58 0.00 0.00 42.46 39.21 2k62 s ILE 70 CO 0.02 0.54 0.02 -0.89 -1.23 0.00 0.00 174.94 173.41 2k62 s THR 71 N -0.30 0.79 0.53 2.92 2.01 -1.26 0.05 115.64 120.38 2k62 s THR 71 Ca 0.01 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 2k62 s THR 71 Cb -0.12 -1.27 0.12 0.00 0.01 0.00 0.00 72.50 71.24 2k62 s THR 71 CO 0.02 -0.24 0.73 1.07 -0.69 0.00 0.00 174.62 175.51 2k62 n THR 72 N 4.94 0.00 0.50 -0.82 5.66 -1.23 -4.74 114.28 118.60 2k62 n THR 72 Ca -0.09 -0.54 0.04 0.00 -3.05 0.00 0.00 64.05 60.42 2k62 n THR 72 Cb 0.46 -1.73 0.25 0.00 -1.55 0.00 0.00 70.33 67.76 2k62 n THR 72 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 2k62 n MET 73 N -2.54 0.21 0.01 1.09 0.00 -1.26 -1.82 117.12 112.82 2k62 n MET 73 Ca 0.09 0.09 0.12 0.00 0.00 0.00 0.00 57.70 58.00 2k62 n MET 73 Cb 0.32 -1.50 0.18 0.00 0.00 0.00 0.00 33.22 32.22 2k62 n MET 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2k62 n ASP 74 N -1.13 0.58 0.00 3.17 5.75 -1.26 -4.89 116.55 118.77 2k62 n ASP 74 Ca 0.06 -0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 2k62 n ASP 74 Cb 0.05 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 2k62 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k62 n GLY 75 N 1.46 0.68 3.61 6.12 0.00 -0.76 -5.04 105.19 111.26 2k62 n GLY 75 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.33 3.93 -0.06 1.61 1.02 -1.26 -4.97 119.74 119.68 2k62 s LYS 76 Ca 0.00 -0.36 -0.12 0.00 0.02 0.00 0.00 55.97 55.51 2k62 s LYS 76 Cb 0.00 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 2k62 s LYS 76 CO 0.00 0.21 0.31 0.21 -0.92 0.00 0.00 175.35 175.16 2k62 s LYS 77 N 0.55 3.81 -0.05 1.68 2.20 -1.26 -3.46 119.74 123.20 2k62 s LYS 77 Ca 0.03 0.21 -0.05 0.00 -0.36 0.00 0.00 55.97 55.80 2k62 s LYS 77 Cb -0.13 -3.23 0.02 0.00 -1.51 0.00 0.00 37.83 32.97 2k62 s LYS 77 CO 0.01 0.67 0.14 -1.17 -0.36 0.00 0.00 175.35 174.64 2k62 s LEU 78 N -0.88 1.38 0.04 5.43 2.96 0.11 -4.97 118.68 122.75 2k62 s LEU 78 Ca 0.20 0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 54.27 2k62 s LEU 78 Cb -0.15 0.47 -0.06 0.00 0.50 0.00 0.00 46.19 46.95 2k62 s LEU 78 CO 0.09 -0.06 0.42 -1.59 -1.32 0.00 0.00 176.35 173.89 2k62 s LYS 79 N 0.20 3.86 -0.14 1.98 0.00 -1.26 0.49 119.74 124.86 2k62 s LYS 79 Ca -0.01 0.33 -0.25 0.00 0.00 0.00 0.00 55.97 56.04 2k62 s LYS 79 Cb -0.02 -3.11 0.06 0.00 0.00 0.00 0.00 37.83 34.76 2k62 s LYS 79 CO -0.01 0.62 0.63 0.00 0.00 0.00 0.00 175.35 176.59 2k62 s THR 81 N -0.42 5.30 -0.16 0.00 2.01 -1.26 -2.83 115.64 118.27 2k62 s THR 81 Ca -0.06 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.17 2k62 s THR 81 Cb -0.03 -3.55 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 2k62 s THR 81 CO 0.05 0.25 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.40 2k62 s VAL 82 N 1.71 2.78 -0.19 3.82 1.01 -1.26 -4.50 120.40 123.76 2k62 s VAL 82 Ca 0.08 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2k62 s VAL 82 Cb -0.16 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2k62 s VAL 82 CO 0.10 0.50 -0.14 -2.28 0.00 0.00 0.00 175.10 173.28 2k62 s HIS 83 N 0.89 2.85 -0.47 5.22 2.46 -0.71 -0.49 115.29 125.03 2k62 s HIS 83 Ca -0.04 -1.39 -0.25 0.00 0.47 0.00 0.00 55.06 53.86 2k62 s HIS 83 Cb -0.15 -1.99 0.03 0.00 -0.13 0.00 0.00 32.58 30.34 2k62 s HIS 83 CO -0.01 -0.71 0.90 -1.17 -2.47 0.00 0.00 174.74 171.28 2k62 s LEU 84 N 1.36 4.07 -0.11 8.88 2.96 -1.26 -1.36 118.68 133.21 2k62 s LEU 84 Ca 0.05 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.99 2k62 s LEU 84 Cb -0.13 -3.12 0.02 0.00 0.50 0.00 0.00 46.19 43.46 2k62 s LEU 84 CO -0.09 -1.04 -0.10 0.00 -1.32 0.00 0.00 176.35 173.80 2k62 s ALA 85 N 3.67 1.47 -1.46 5.97 0.00 0.37 -4.79 121.76 126.99 2k62 s ALA 85 Ca 0.35 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.58 2k62 s ALA 85 Cb -0.11 -0.90 0.05 0.00 0.00 0.00 0.00 23.12 22.17 2k62 s ALA 85 CO 0.25 -0.31 0.96 -1.71 0.00 0.00 0.00 175.76 174.94 2k62 n ASN 86 N 4.70 -5.47 -0.72 0.00 2.85 -1.26 -1.32 115.26 114.03 2k62 n ASN 86 Ca -0.15 -0.59 -0.08 0.00 -0.11 0.00 0.00 54.58 53.65 2k62 n ASN 86 Cb 0.50 -4.36 -0.02 0.00 1.24 0.00 0.00 39.78 37.15 2k62 n ASN 86 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k62 n GLY 87 N -1.74 0.49 2.93 8.20 0.00 -1.26 -5.02 105.19 108.79 2k62 n GLY 87 Ca 0.01 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.55 0.68 -0.42 1.61 2.20 -0.44 -4.96 119.74 114.87 2k62 s LYS 88 Ca 0.00 -0.16 -0.22 0.00 -0.36 0.00 0.00 55.97 55.24 2k62 s LYS 88 Cb 0.00 -0.68 0.02 0.00 -1.51 0.00 0.00 37.83 35.66 2k62 s LYS 88 CO 0.00 0.02 0.71 -0.51 -0.36 0.00 0.00 175.35 175.20 2k62 s LEU 89 N 0.44 4.33 -0.19 5.43 1.43 -1.26 -0.48 118.68 128.39 2k62 s LEU 89 Ca -0.06 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.86 2k62 s LEU 89 Cb -0.09 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 2k62 s LEU 89 CO -0.00 -0.79 0.09 -0.69 0.23 0.00 0.00 176.35 175.19 2k62 s VAL 90 N 3.00 5.06 -0.03 -1.59 1.01 -0.47 -4.34 120.40 123.04 2k62 s VAL 90 Ca 0.26 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 2k62 s VAL 90 Cb -0.13 -3.29 0.08 0.00 0.00 0.00 0.00 36.38 33.04 2k62 s VAL 90 CO 0.19 0.45 0.74 0.28 0.00 0.00 0.00 175.10 176.76 2k62 s THR 91 N 0.35 0.00 -0.28 3.92 -1.32 -1.26 -1.74 115.64 115.31 2k62 s THR 91 Ca 0.05 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.29 2k62 s THR 91 Cb -0.12 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.98 2k62 s THR 91 CO -0.01 0.00 0.94 -0.75 -2.21 0.00 0.00 174.62 172.60 2k62 s LYS 92 N -1.80 0.59 0.00 7.08 2.20 -1.26 -3.80 119.74 122.76 2k62 s LYS 92 Ca -0.06 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 2k62 s LYS 92 Cb -0.00 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2k62 s LYS 92 CO 0.03 -0.07 0.00 0.43 -0.36 0.00 0.00 175.35 175.38 2k62 n SER 93 N 2.41 1.85 0.22 1.43 7.64 0.45 -4.87 113.62 122.76 2k62 n SER 93 Ca -0.13 -0.31 -0.15 0.00 1.01 0.00 0.00 58.87 59.28 2k62 n SER 93 Cb 0.56 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 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 -0.66 -2.03 1.43 5.08 -2.03 -3.35 114.58 113.03 2k62 h GLU 94 Ca 0.00 0.04 -0.52 0.00 -1.00 0.00 0.00 59.36 57.88 2k62 h GLU 94 Cb 0.00 0.15 -0.40 0.00 0.50 0.00 0.00 28.75 29.00 2k62 h GLU 94 CO 0.00 -0.44 -1.10 1.63 -1.00 0.00 0.00 179.01 178.10 2k62 n LYS 95 N -5.43 1.10 -3.64 2.33 5.02 -1.26 -5.06 118.16 111.21 2k62 n LYS 95 Ca -0.10 -3.48 -0.04 0.00 -2.02 0.00 0.00 58.31 52.67 2k62 n LYS 95 Cb 0.33 -1.59 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.06 -0.78 0.09 2.13 5.36 -1.26 -4.61 117.98 116.86 2k62 s PHE 96 Ca 0.39 1.55 0.02 0.00 -0.96 0.00 0.00 56.93 57.92 2k62 s PHE 96 Cb 0.27 0.46 -0.04 0.00 -0.34 0.00 0.00 43.02 43.38 2k62 s PHE 96 CO -0.09 -0.38 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.10 2k62 s SER 97 N 1.49 1.03 -0.15 6.13 0.01 -1.26 -0.41 113.70 120.54 2k62 s SER 97 Ca -0.09 -0.94 -0.11 0.00 1.31 0.00 0.00 55.95 56.12 2k62 s SER 97 Cb -0.04 0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.33 2k62 s SER 97 CO -0.17 -0.44 0.38 -2.28 0.41 0.00 0.00 173.24 171.14 2k62 s HIS 98 N -3.33 -0.48 -0.02 2.43 2.46 -1.25 -2.19 115.29 112.90 2k62 s HIS 98 Ca 0.08 1.10 0.08 0.00 0.47 0.00 0.00 55.06 56.79 2k62 s HIS 98 Cb 0.03 0.18 -0.02 0.00 -0.13 0.00 0.00 32.58 32.65 2k62 s HIS 98 CO -0.05 -0.26 -0.25 -1.21 -2.47 0.00 0.00 174.74 170.50 2k62 s GLU 99 N 0.80 2.09 -0.11 2.88 2.02 -1.03 -4.42 118.70 120.93 2k62 s GLU 99 Ca -0.05 -0.91 0.03 0.00 0.02 0.00 0.00 54.97 54.07 2k62 s GLU 99 Cb -0.06 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.17 2k62 s GLU 99 CO -0.06 0.54 -0.23 -1.14 0.02 0.00 0.00 175.26 174.39 2k62 s GLN 100 N -0.57 3.06 -0.06 1.61 2.00 -1.26 -3.16 119.66 121.27 2k62 s GLN 100 Ca 0.09 -0.87 -0.03 0.00 -2.00 0.00 0.00 55.36 52.55 2k62 s GLN 100 Cb -0.10 -2.35 0.03 0.00 0.80 0.00 0.00 33.01 31.39 2k62 s GLN 100 CO -0.01 0.13 0.14 -2.00 -0.50 0.00 0.00 175.29 173.05 2k62 s GLU 101 N 0.46 0.10 -0.17 1.67 2.56 -0.99 -4.70 118.70 117.63 2k62 s GLU 101 Ca -0.16 0.32 0.01 0.00 0.00 0.00 0.00 54.97 55.14 2k62 s GLU 101 Cb -0.17 -0.12 0.03 0.00 2.00 0.00 0.00 34.13 35.86 2k62 s GLU 101 CO 0.06 -0.13 -0.14 0.08 -0.56 0.00 0.00 175.26 174.57 2k62 s VAL 102 N 0.92 1.66 -0.49 3.70 1.01 -1.26 -1.63 120.40 124.30 2k62 s VAL 102 Ca -0.07 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2k62 s VAL 102 Cb -0.09 -1.60 0.13 0.00 0.00 0.00 0.00 36.38 34.81 2k62 s VAL 102 CO -0.05 0.37 0.24 -0.54 0.00 0.00 0.00 175.10 175.13 2k62 s LYS 103 N 1.43 1.95 2.92 2.72 -0.14 0.14 -4.99 119.74 123.78 2k62 s LYS 103 Ca 0.03 -2.42 0.00 0.00 -1.36 0.00 0.00 55.97 52.22 2k62 s LYS 103 Cb -0.14 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.65 2k62 s LYS 103 CO -0.10 -1.08 0.00 0.41 -0.76 0.00 0.00 175.35 173.82 2k62 n GLY 104 N 3.46 0.79 0.19 -3.33 0.00 -1.26 -1.28 105.19 103.75 2k62 n GLY 104 Ca 0.05 0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.59 2k62 n GLY 104 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k62 n ASN 105 N 5.63 2.43 -4.21 1.61 6.94 -1.26 -5.01 115.26 121.39 2k62 n ASN 105 Ca 0.00 -2.53 -0.23 0.00 -0.02 0.00 0.00 54.58 51.80 2k62 n ASN 105 Cb 0.00 -0.25 -0.13 0.00 -2.36 0.00 0.00 39.78 37.04 2k62 n ASN 105 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2k62 s GLU 106 N -1.93 1.13 -0.03 -3.83 2.02 -0.41 -2.19 118.70 113.47 2k62 s GLU 106 Ca 0.19 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.29 2k62 s GLU 106 Cb 0.16 -1.22 0.01 0.00 0.10 0.00 0.00 34.13 33.18 2k62 s GLU 106 CO 0.04 0.30 -0.04 1.41 0.02 0.00 0.00 175.26 176.98 2k62 s MET 107 N -1.31 0.67 -0.02 1.61 1.75 -0.09 0.27 119.30 122.18 2k62 s MET 107 Ca 0.04 -0.12 0.05 0.00 -1.25 0.00 0.00 55.69 54.41 2k62 s MET 107 Cb -0.09 -0.69 -0.01 0.00 2.84 0.00 0.00 34.83 36.89 2k62 s MET 107 CO 0.02 -0.02 -0.17 0.14 -0.65 0.00 0.00 175.02 174.34 2k62 s VAL 108 N 0.60 1.35 -0.08 10.11 -7.23 -0.65 -0.13 120.40 124.37 2k62 s VAL 108 Ca -0.07 -0.71 -0.03 0.00 -1.81 0.00 0.00 61.98 59.35 2k62 s VAL 108 Cb -0.11 -1.13 0.04 0.00 0.56 0.00 0.00 36.38 35.74 2k62 s VAL 108 CO -0.00 0.38 0.17 -1.83 -0.31 0.00 0.00 175.10 173.51 2k62 s GLU 109 N -0.28 0.11 -0.12 4.82 -1.05 -0.70 -2.35 118.70 119.13 2k62 s GLU 109 Ca 0.04 0.43 -0.09 0.00 -0.15 0.00 0.00 54.97 55.19 2k62 s GLU 109 Cb -0.08 -0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.39 2k62 s GLU 109 CO 0.00 -0.18 0.20 0.95 0.95 0.00 0.00 175.26 177.18 2k62 s THR 110 N 1.32 5.40 -0.07 1.83 -4.23 -1.19 -1.06 115.64 117.65 2k62 s THR 110 Ca -0.08 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2k62 s THR 110 Cb -0.11 -3.48 0.02 0.00 1.34 0.00 0.00 72.50 70.26 2k62 s THR 110 CO -0.06 0.56 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.91 2k62 s ILE 111 N -0.67 0.62 -0.69 2.99 1.01 0.24 -2.47 121.20 122.23 2k62 s ILE 111 Ca 0.15 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.48 2k62 s ILE 111 Cb -0.13 -0.67 0.08 0.00 0.01 0.00 0.00 42.46 41.75 2k62 s ILE 111 CO 0.05 0.27 0.98 -0.89 0.00 0.00 0.00 174.94 175.34 2k62 s THR 112 N 1.35 4.38 -0.29 2.92 2.01 -0.93 0.05 115.64 125.12 2k62 s THR 112 Ca -0.04 -0.51 -0.07 0.00 0.31 0.00 0.00 61.69 61.39 2k62 s THR 112 Cb -0.14 -4.69 0.01 0.00 0.01 0.00 0.00 72.50 67.69 2k62 s THR 112 CO -0.03 -1.46 0.08 -0.36 -0.69 0.00 0.00 174.62 172.17 2k62 s PHE 113 N 3.89 3.14 0.00 4.92 0.08 -0.74 -4.25 117.98 125.03 2k62 s PHE 113 Ca 0.23 -0.94 0.00 0.00 0.12 0.00 0.00 56.93 56.34 2k62 s PHE 113 Cb -0.16 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 2k62 s PHE 113 CO 0.08 -0.56 0.00 0.41 -0.10 0.00 0.00 175.22 175.05 2k62 n GLY 114 N 4.87 1.85 0.00 4.36 0.00 -1.26 -2.79 105.19 112.22 2k62 n GLY 114 Ca -0.15 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 3.92 -0.02 0.00 -1.26 -5.05 105.19 102.78 2k62 n GLY 115 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.32 5.16 -0.24 1.61 0.11 -1.12 -5.08 120.40 120.53 2k62 s VAL 116 Ca 0.00 -0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 58.65 2k62 s VAL 116 Cb 0.00 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2k62 s VAL 116 CO 0.00 -0.23 0.13 -0.89 -3.33 0.00 0.00 175.10 170.78 2k62 s THR 117 N -1.95 5.05 -0.08 5.04 2.01 -1.26 -1.79 115.64 122.67 2k62 s THR 117 Ca 0.39 0.07 -0.18 0.00 0.31 0.00 0.00 61.69 62.29 2k62 s THR 117 Cb -0.11 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 2k62 s THR 117 CO 0.30 0.35 0.47 -0.76 -0.69 0.00 0.00 174.62 174.28 2k62 s LEU 118 N 1.15 4.34 -0.30 4.42 2.01 0.11 -4.72 118.68 125.69 2k62 s LEU 118 Ca 0.06 0.88 -0.03 0.00 0.01 0.00 0.00 54.13 55.06 2k62 s LEU 118 Cb -0.14 -2.69 0.04 0.00 0.01 0.00 0.00 46.19 43.42 2k62 s LEU 118 CO 0.05 0.10 0.02 -0.63 1.01 0.00 0.00 176.35 176.89 2k62 s ILE 119 N 0.10 3.17 -0.24 -0.59 1.09 -1.26 -0.59 121.20 122.89 2k62 s ILE 119 Ca 0.26 -1.27 -0.13 0.00 -1.10 0.00 0.00 60.65 58.41 2k62 s ILE 119 Cb -0.16 -2.79 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 2k62 s ILE 119 CO 0.12 -0.08 0.26 -0.60 -0.10 0.00 0.00 174.94 174.54 2k62 s ARG 120 N 1.30 4.07 -0.29 2.79 3.52 -0.22 -4.58 118.95 125.54 2k62 s ARG 120 Ca -0.04 -0.10 -0.05 0.00 -0.13 0.00 0.00 55.73 55.41 2k62 s ARG 120 Cb -0.19 -3.58 0.02 0.00 -1.56 0.00 0.00 34.95 29.64 2k62 s ARG 120 CO -0.00 -0.06 0.05 0.50 -0.81 0.00 0.00 175.30 174.97 2k62 s ARG 121 N 1.39 2.97 0.01 5.12 3.52 -1.26 -1.73 118.95 128.97 2k62 s ARG 121 Ca 0.12 -0.93 0.07 0.00 -0.13 0.00 0.00 55.73 54.86 2k62 s ARG 121 Cb -0.15 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 2k62 s ARG 121 CO 0.07 -0.46 -0.19 -1.12 -0.81 0.00 0.00 175.30 172.79 2k62 s SER 122 N 1.44 3.67 0.38 -2.12 0.01 0.81 -1.50 113.70 116.39 2k62 s SER 122 Ca 0.01 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 56.95 2k62 s SER 122 Cb -0.17 -0.60 -0.07 0.00 0.21 0.00 0.00 66.02 65.39 2k62 s SER 122 CO 0.01 0.29 0.00 -1.59 0.41 0.00 0.00 173.24 172.36 2k62 s LYS 123 N -1.09 1.87 -1.28 12.44 -2.85 0.15 -0.91 119.74 128.07 2k62 s LYS 123 Ca 0.13 -2.04 -0.09 0.00 -1.00 0.00 0.00 55.97 52.97 2k62 s LYS 123 Cb -0.10 -1.48 -0.07 0.00 -2.06 0.00 0.00 37.83 34.12 2k62 s LYS 123 CO 0.03 -0.05 2.50 2.89 0.10 0.00 0.00 175.35 180.82 2k62 n ARG 124 N -0.88 2.85 -0.62 1.78 1.85 -0.93 -0.49 116.66 120.23 2k62 n ARG 124 Ca -0.04 -1.90 0.00 0.00 -1.00 0.00 0.00 57.85 54.90 2k62 n ARG 124 Cb 0.66 -2.70 0.00 0.00 -1.05 0.00 0.00 32.46 29.37 2k62 n ARG 124 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90