#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ct6 n SER 2 N 0.00 -6.72 -4.94 1.61 7.64 -1.26 -5.01 113.62 104.94 2ct6 n SER 2 Ca 0.00 1.57 -0.24 0.00 1.01 0.00 0.00 58.87 61.20 2ct6 n SER 2 Cb 0.00 -4.81 0.05 0.00 -1.01 0.00 0.00 64.21 58.44 2ct6 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ct6 s SER 3 N -0.55 5.11 0.00 6.43 0.15 -1.26 -5.03 113.70 118.55 2ct6 s SER 3 Ca -0.07 0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2ct6 s SER 3 Cb 0.00 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 2ct6 s SER 3 CO 0.18 -1.35 0.00 0.61 1.20 0.00 0.00 173.24 173.88 2ct6 n GLY 4 N -2.67 2.93 0.00 9.45 0.00 -1.26 -5.13 105.19 108.52 2ct6 n GLY 4 Ca 0.07 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2ct6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ct6 n SER 5 N 0.00 0.00 -0.09 1.61 7.64 -1.26 -5.08 113.62 116.44 2ct6 n SER 5 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 2ct6 n SER 5 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2ct6 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ct6 n SER 6 N 0.00 1.85 0.00 6.43 2.88 -1.26 -5.12 113.62 118.41 2ct6 n SER 6 Ca 0.00 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 2ct6 n SER 6 Cb 0.00 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 2ct6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ct6 n GLY 7 N 1.50 0.47 3.67 0.46 0.00 -1.26 -5.14 105.19 104.89 2ct6 n GLY 7 Ca -0.22 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 43.82 2ct6 n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ct6 s MET 8 N -1.33 2.38 -0.26 1.61 1.00 -1.26 -5.12 119.30 116.33 2ct6 s MET 8 Ca 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 55.69 54.30 2ct6 s MET 8 Cb 0.00 -2.23 0.14 0.00 0.00 0.00 0.00 34.83 32.74 2ct6 s MET 8 CO 0.00 0.38 0.50 0.08 0.00 0.00 0.00 175.02 175.97 2ct6 s VAL 9 N -2.24 -0.79 -1.26 -6.03 1.01 -1.26 -4.77 120.40 105.06 2ct6 s VAL 9 Ca 0.31 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 2ct6 s VAL 9 Cb -0.07 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.47 2ct6 s VAL 9 CO 0.20 -0.02 1.85 -0.38 0.00 0.00 0.00 175.10 176.76 2ct6 n ILE 10 N 5.40 3.24 -1.55 2.22 2.08 -1.12 -3.73 119.36 125.91 2ct6 n ILE 10 Ca -0.06 -3.30 -0.38 0.00 0.56 0.00 0.00 62.75 59.57 2ct6 n ILE 10 Cb 0.50 -2.32 -0.04 0.00 -0.75 0.00 0.00 39.64 37.02 2ct6 n ILE 10 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2ct6 n ARG 11 N 8.08 1.10 -3.34 0.38 1.74 -0.50 -2.70 116.66 121.42 2ct6 n ARG 11 Ca 0.48 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 57.23 2ct6 n ARG 11 Cb 0.45 -3.22 -0.09 0.00 -1.02 0.00 0.00 32.46 28.58 2ct6 n ARG 11 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ct6 s VAL 12 N 11.19 5.11 0.02 1.55 1.01 0.48 -0.09 120.40 139.68 2ct6 s VAL 12 Ca 1.02 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 2ct6 s VAL 12 Cb -0.31 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2ct6 s VAL 12 CO 0.30 -0.29 1.11 -0.36 0.00 0.00 0.00 175.10 175.87 2ct6 s PHE 13 N 2.11 3.50 0.01 5.22 0.40 -1.23 0.43 117.98 128.43 2ct6 s PHE 13 Ca 0.12 1.45 0.02 0.00 -0.60 0.00 0.00 56.93 57.93 2ct6 s PHE 13 Cb -0.17 -3.30 -0.01 0.00 0.51 0.00 0.00 43.02 40.05 2ct6 s PHE 13 CO 0.13 -0.79 -0.08 0.96 0.70 0.00 0.00 175.22 176.14 2ct6 s ILE 14 N 1.19 0.61 -0.77 0.64 -5.25 -0.08 -3.04 121.20 114.50 2ct6 s ILE 14 Ca 0.56 -0.56 0.02 0.00 -0.99 0.00 0.00 60.65 59.67 2ct6 s ILE 14 Cb -0.26 -0.56 0.19 0.00 2.95 0.00 0.00 42.46 44.78 2ct6 s ILE 14 CO 0.28 0.01 0.60 0.00 -1.79 0.00 0.00 174.94 174.03 2ct6 s ALA 15 N -0.53 3.97 0.51 2.27 0.00 -1.26 0.61 121.76 127.32 2ct6 s ALA 15 Ca -0.00 -3.78 0.46 0.00 0.00 0.00 0.00 51.96 48.63 2ct6 s ALA 15 Cb -0.05 -2.48 1.60 0.00 0.00 0.00 0.00 23.12 22.19 2ct6 s ALA 15 CO 0.00 -2.12 1.45 0.45 0.00 0.00 0.00 175.76 175.55 2ct6 n SER 16 N 2.26 0.02 -3.91 0.00 2.88 -1.26 -1.84 113.62 111.78 2ct6 n SER 16 Ca 0.19 0.96 -0.29 0.00 -1.33 0.00 0.00 58.87 58.40 2ct6 n SER 16 Cb 0.36 -0.48 -0.13 0.00 -0.75 0.00 0.00 64.21 63.21 2ct6 n SER 16 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ct6 s SER 17 N -3.91 4.41 -0.04 -3.46 0.15 -1.26 -4.85 113.70 104.75 2ct6 s SER 17 Ca -0.05 -3.32 -0.04 0.00 0.70 0.00 0.00 55.95 53.25 2ct6 s SER 17 Cb 0.25 -1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 62.96 2ct6 s SER 17 CO 0.83 -0.18 -0.09 -0.24 1.20 0.00 0.00 173.24 174.76 2ct6 n SER 18 N 2.69 0.79 0.00 5.45 2.88 -0.76 -4.92 113.62 119.75 2ct6 n SER 18 Ca 0.11 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2ct6 n SER 18 Cb 0.34 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2ct6 n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ct6 n GLY 19 N 2.70 3.12 3.56 0.46 0.00 -1.26 -5.06 105.19 108.71 2ct6 n GLY 19 Ca -0.10 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 2ct6 n GLY 19 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ct6 s PHE 20 N 0.00 2.02 0.32 1.61 0.08 -1.26 -4.84 117.98 115.90 2ct6 s PHE 20 Ca 0.00 0.41 0.08 0.00 0.12 0.00 0.00 56.93 57.54 2ct6 s PHE 20 Cb 0.00 -4.35 0.81 0.00 -0.57 0.00 0.00 43.02 38.91 2ct6 s PHE 20 CO 0.00 -2.17 1.76 -0.24 -0.10 0.00 0.00 175.22 174.47 2ct6 h VAL 21 N 6.46 0.64 -0.80 -0.44 3.04 -2.00 0.19 116.25 123.35 2ct6 h VAL 21 Ca -0.27 -0.23 0.19 0.00 -1.01 0.00 0.00 66.70 65.37 2ct6 h VAL 21 Cb 1.11 -0.10 -0.14 0.00 -2.01 0.00 0.00 31.29 30.15 2ct6 h VAL 21 CO 1.23 0.12 0.00 0.00 -1.01 0.00 0.00 177.57 177.91 2ct6 h ALA 22 N 1.67 0.84 -0.66 3.17 0.00 -2.00 0.85 119.26 123.12 2ct6 h ALA 22 Ca 0.60 0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.86 2ct6 h ALA 22 Cb 1.04 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 2ct6 h ALA 22 CO -0.40 -0.44 0.30 0.82 0.00 0.00 0.00 179.25 179.53 2ct6 h ILE 23 N 0.09 0.82 0.14 0.00 2.04 -0.93 -1.35 117.51 118.32 2ct6 h ILE 23 Ca 0.44 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 66.14 2ct6 h ILE 23 Cb 0.80 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 2ct6 h ILE 23 CO -0.72 0.09 -0.47 0.11 0.00 0.00 0.00 178.15 177.16 2ct6 h LYS 24 N 0.52 -0.69 -0.61 2.37 1.57 0.74 0.12 116.57 120.59 2ct6 h LYS 24 Ca 0.33 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.27 2ct6 h LYS 24 Cb 0.37 0.16 -0.12 0.00 0.08 0.00 0.00 32.23 32.72 2ct6 h LYS 24 CO -0.28 -0.46 -0.25 0.87 -0.57 0.00 0.00 179.45 178.76 2ct6 h LYS 25 N -0.72 -0.09 -0.51 3.15 6.56 -0.59 0.35 116.57 124.72 2ct6 h LYS 25 Ca 0.01 0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.70 2ct6 h LYS 25 Cb 0.73 0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 32.32 2ct6 h LYS 25 CO -0.26 -0.06 -0.04 0.87 -2.06 0.00 0.00 179.45 177.90 2ct6 h LYS 26 N -0.09 0.07 -0.76 3.15 1.57 -0.31 0.40 116.57 120.60 2ct6 h LYS 26 Ca 0.27 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.16 2ct6 h LYS 26 Cb 0.52 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2ct6 h LYS 26 CO -0.67 0.05 0.50 1.96 -0.57 0.00 0.00 179.45 180.72 2ct6 h GLN 27 N 0.08 0.59 0.17 3.15 4.20 0.22 -1.76 115.11 121.76 2ct6 h GLN 27 Ca 0.25 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 2ct6 h GLN 27 Cb 0.39 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2ct6 h GLN 27 CO -0.46 0.39 -0.08 1.96 -0.67 0.00 0.00 178.83 179.98 2ct6 h GLN 28 N 0.61 -0.21 -1.74 1.46 4.20 0.17 -2.40 115.11 117.19 2ct6 h GLN 28 Ca 0.36 0.01 0.52 0.00 0.06 0.00 0.00 58.65 59.60 2ct6 h GLN 28 Cb 0.56 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.30 2ct6 h GLN 28 CO -0.13 -0.14 1.23 -3.47 -0.67 0.00 0.00 178.83 175.65 2ct6 n ASP 29 N -2.99 0.04 0.00 1.46 -0.08 0.28 0.19 116.55 115.45 2ct6 n ASP 29 Ca -0.03 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.25 2ct6 n ASP 29 Cb 0.09 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.05 2ct6 n ASP 29 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2ct6 n VAL 30 N -3.95 0.00 -0.16 5.18 0.31 -0.68 -1.78 118.33 117.25 2ct6 n VAL 30 Ca 0.41 0.83 -0.02 0.00 -0.01 0.00 0.00 64.34 65.55 2ct6 n VAL 30 Cb 1.81 -1.62 0.07 0.00 -0.91 0.00 0.00 33.84 33.19 2ct6 n VAL 30 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2ct6 h VAL 31 N 0.00 0.68 -0.62 2.52 -1.51 -0.36 -1.71 116.25 115.24 2ct6 h VAL 31 Ca 0.00 -0.07 0.09 0.00 -1.23 0.00 0.00 66.70 65.49 2ct6 h VAL 31 Cb 0.00 0.46 -0.11 0.00 -2.13 0.00 0.00 31.29 29.51 2ct6 h VAL 31 CO 0.00 0.04 -0.44 0.03 -1.23 0.00 0.00 177.57 175.96 2ct6 h ARG 32 N 0.20 -0.20 -0.38 5.19 2.47 0.20 0.56 114.38 122.42 2ct6 h ARG 32 Ca 0.26 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 59.07 2ct6 h ARG 32 Cb 0.36 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.65 2ct6 h ARG 32 CO -0.36 -0.13 -0.13 0.35 0.56 0.00 0.00 179.97 180.26 2ct6 h PHE 33 N -0.20 -0.29 -0.08 3.04 3.57 -0.51 0.68 116.94 123.14 2ct6 h PHE 33 Ca 0.19 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.75 2ct6 h PHE 33 Cb 0.56 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 2ct6 h PHE 33 CO -0.74 -0.20 -0.11 -0.07 -2.23 0.00 0.00 178.31 174.96 2ct6 h LEU 34 N -0.04 -0.34 -0.11 0.59 3.38 -0.37 1.01 115.31 119.42 2ct6 h LEU 34 Ca 0.19 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.25 2ct6 h LEU 34 Cb 0.33 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2ct6 h LEU 34 CO -0.41 -0.15 -0.06 -0.33 0.09 0.00 0.00 178.44 177.57 2ct6 h GLU 35 N -0.15 -0.06 0.00 1.13 4.39 0.10 1.77 114.58 121.76 2ct6 h GLU 35 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 2ct6 h GLU 35 Cb 0.25 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2ct6 h GLU 35 CO -0.17 -0.04 -0.05 0.00 -1.16 0.00 0.00 179.01 177.59 2ct6 h ALA 36 N 1.04 1.10 -0.51 3.43 0.00 0.82 0.96 119.26 126.10 2ct6 h ALA 36 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ct6 h ALA 36 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ct6 h ALA 36 CO -0.15 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.25 2ct6 n ASN 37 N -3.30 3.55 -4.05 0.00 3.02 0.34 -4.94 115.26 109.89 2ct6 n ASN 37 Ca -0.01 -1.98 -0.32 0.00 -0.03 0.00 0.00 54.58 52.24 2ct6 n ASN 37 Cb 0.22 -0.33 -0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2ct6 n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ct6 n LYS 38 N 1.43 -4.22 -3.61 3.52 4.76 0.44 -4.93 118.16 115.55 2ct6 n LYS 38 Ca 0.20 0.48 -0.35 0.00 -2.87 0.00 0.00 58.31 55.77 2ct6 n LYS 38 Cb 0.58 -5.21 -0.05 0.00 -1.84 0.00 0.00 35.03 28.51 2ct6 n LYS 38 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ct6 s ILE 39 N -3.38 5.13 0.18 -0.18 1.01 0.49 -4.97 121.20 119.49 2ct6 s ILE 39 Ca 0.61 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.39 2ct6 s ILE 39 Cb -0.32 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 2ct6 s ILE 39 CO 0.88 0.33 0.98 -1.83 0.00 0.00 0.00 174.94 175.30 2ct6 s GLU 40 N -1.80 4.75 0.05 2.79 -1.05 -1.26 -4.44 118.70 117.74 2ct6 s GLU 40 Ca 0.31 1.52 -0.26 0.00 -0.15 0.00 0.00 54.97 56.39 2ct6 s GLU 40 Cb -0.14 -3.32 0.09 0.00 -0.44 0.00 0.00 34.13 30.32 2ct6 s GLU 40 CO 0.17 0.32 1.19 1.97 0.95 0.00 0.00 175.26 179.86 2ct6 n PHE 41 N 2.14 -0.71 -3.74 4.83 1.16 -1.26 -2.80 117.46 117.08 2ct6 n PHE 41 Ca 0.00 -0.90 -0.13 0.00 -1.87 0.00 0.00 57.45 54.55 2ct6 n PHE 41 Cb 0.48 0.42 -0.10 0.00 -1.61 0.00 0.00 39.48 38.67 2ct6 n PHE 41 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 2ct6 s GLU 42 N -2.03 0.52 -0.88 3.97 -1.05 -1.10 -4.78 118.70 113.36 2ct6 s GLU 42 Ca 0.27 0.37 -0.17 0.00 -0.15 0.00 0.00 54.97 55.30 2ct6 s GLU 42 Cb -0.01 0.25 0.16 0.00 -0.44 0.00 0.00 34.13 34.08 2ct6 s GLU 42 CO 0.01 -0.09 1.00 -1.21 0.95 0.00 0.00 175.26 175.92 2ct6 s GLU 43 N -0.18 3.58 -0.79 -4.83 2.02 -1.26 0.18 118.70 117.43 2ct6 s GLU 43 Ca -0.03 -1.96 -0.25 0.00 0.02 0.00 0.00 54.97 52.74 2ct6 s GLU 43 Cb -0.03 -4.73 -0.02 0.00 0.10 0.00 0.00 34.13 29.45 2ct6 s GLU 43 CO 0.02 -1.61 1.78 0.08 0.02 0.00 0.00 175.26 175.55 2ct6 s VAL 44 N 1.90 3.50 -0.80 2.63 1.01 0.17 -4.81 120.40 123.99 2ct6 s VAL 44 Ca 0.27 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.88 2ct6 s VAL 44 Cb -0.07 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.01 2ct6 s VAL 44 CO -0.09 -1.15 2.22 -0.62 0.00 0.00 0.00 175.10 175.47 2ct6 s ASP 45 N 7.24 4.42 0.42 3.32 -1.08 -1.26 -0.90 116.67 128.84 2ct6 s ASP 45 Ca 0.62 -0.13 0.16 0.00 -0.52 0.00 0.00 52.55 52.69 2ct6 s ASP 45 Cb -0.08 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.77 2ct6 s ASP 45 CO 0.08 -3.35 1.92 0.16 0.52 0.00 0.00 175.17 174.50 2ct6 h ILE 46 N 7.50 1.09 -0.20 4.11 3.07 -0.06 -1.58 117.51 131.44 2ct6 h ILE 46 Ca 0.01 -0.92 -0.01 0.00 1.55 0.00 0.00 64.86 65.49 2ct6 h ILE 46 Cb 1.03 1.51 -0.01 0.00 -0.27 0.00 0.00 36.82 39.08 2ct6 h ILE 46 CO 1.10 0.25 0.09 0.74 -1.05 0.00 0.00 178.15 179.28 2ct6 h THR 47 N 0.00 1.14 0.21 0.16 2.02 -1.83 -3.20 112.91 111.41 2ct6 h THR 47 Ca -0.00 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2ct6 h THR 47 Cb 0.49 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2ct6 h THR 47 CO 0.03 0.14 -0.10 0.24 0.37 0.00 0.00 175.52 176.20 2ct6 h MET 48 N 0.19 -0.27 -4.62 6.66 2.86 -1.78 -3.39 114.93 114.57 2ct6 h MET 48 Ca 0.07 0.02 -0.71 0.00 -2.06 0.00 0.00 59.70 57.01 2ct6 h MET 48 Cb 0.14 0.06 -0.20 0.00 0.06 0.00 0.00 31.60 31.66 2ct6 h MET 48 CO -0.01 0.06 -0.13 -1.12 1.06 0.00 0.00 176.91 176.77 2ct6 s SER 49 N -5.23 6.19 0.15 1.22 0.01 -0.63 -4.94 113.70 110.47 2ct6 s SER 49 Ca -0.14 -1.16 -0.20 0.00 1.31 0.00 0.00 55.95 55.76 2ct6 s SER 49 Cb 0.02 -2.24 0.04 0.00 0.21 0.00 0.00 66.02 64.06 2ct6 s SER 49 CO 0.58 -0.79 1.66 -0.08 0.41 0.00 0.00 173.24 175.02 2ct6 h GLU 50 N 8.89 -0.10 -0.57 12.44 4.81 -1.77 -2.41 114.58 135.86 2ct6 h GLU 50 Ca -0.28 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.02 2ct6 h GLU 50 Cb 1.10 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.41 2ct6 h GLU 50 CO 0.94 -0.07 -0.57 1.49 -0.73 0.00 0.00 179.01 180.07 2ct6 h GLU 51 N -0.11 -0.28 -0.93 1.92 4.22 -1.92 0.21 114.58 117.69 2ct6 h GLU 51 Ca 0.15 0.02 0.18 0.00 0.08 0.00 0.00 59.36 59.79 2ct6 h GLU 51 Cb 0.34 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 29.48 2ct6 h GLU 51 CO -0.35 -0.19 -0.26 1.04 -2.18 0.00 0.00 179.01 177.07 2ct6 n GLN 52 N -5.34 -0.11 0.26 1.92 1.13 -0.92 0.72 117.38 115.04 2ct6 n GLN 52 Ca -0.02 1.45 -0.15 0.00 -1.94 0.00 0.00 57.00 56.34 2ct6 n GLN 52 Cb 0.32 -2.17 -0.08 0.00 0.11 0.00 0.00 30.24 28.42 2ct6 n GLN 52 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2ct6 h ARG 53 N 0.00 -0.63 -0.78 -1.09 2.43 -0.64 -2.18 114.38 111.49 2ct6 h ARG 53 Ca 0.42 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.82 2ct6 h ARG 53 Cb 0.66 0.14 -0.12 0.00 -0.42 0.00 0.00 29.97 30.23 2ct6 h ARG 53 CO -0.96 -0.35 0.14 1.96 -1.51 0.00 0.00 179.97 179.26 2ct6 h GLN 54 N -0.82 0.20 0.26 0.20 1.08 0.24 0.75 115.11 117.02 2ct6 h GLN 54 Ca -0.07 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2ct6 h GLN 54 Cb 0.57 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 2ct6 h GLN 54 CO 0.11 0.13 -0.43 2.35 -0.95 0.00 0.00 178.83 180.04 2ct6 h TRP 55 N 0.21 -1.20 -0.67 2.96 7.01 0.46 -1.91 115.95 122.80 2ct6 h TRP 55 Ca 0.45 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.60 2ct6 h TRP 55 Cb 0.81 0.49 -0.13 0.00 -2.10 0.00 0.00 29.16 28.24 2ct6 h TRP 55 CO -0.31 -0.56 -0.19 1.98 -2.79 0.00 0.00 178.44 176.58 2ct6 h MET 56 N -0.76 -0.02 0.00 2.65 4.05 -0.28 1.47 114.93 122.04 2ct6 h MET 56 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2ct6 h MET 56 Cb 0.73 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 2ct6 h MET 56 CO -0.17 -0.01 0.12 1.88 0.23 0.00 0.00 176.91 178.97 2ct6 h TYR 57 N -0.02 0.00 0.00 1.39 -1.99 -0.33 1.09 116.97 117.12 2ct6 h TYR 57 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 2ct6 h TYR 57 Cb 0.50 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.23 2ct6 h TYR 57 CO -0.56 0.00 -1.21 1.63 -0.00 0.00 0.00 178.16 178.02 2ct6 n LYS 58 N -2.26 0.16 -2.17 4.88 5.02 0.49 -4.27 118.16 120.00 2ct6 n LYS 58 Ca -0.01 -0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 55.97 2ct6 n LYS 58 Cb 0.15 -1.51 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 2ct6 n LYS 58 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ct6 n ASN 59 N -1.68 5.00 -3.48 4.39 5.03 0.37 -4.95 115.26 119.94 2ct6 n ASN 59 Ca 0.02 -3.74 -0.05 0.00 0.87 0.00 0.00 54.58 51.68 2ct6 n ASN 59 Cb 0.39 -0.43 -0.06 0.00 -1.02 0.00 0.00 39.78 38.66 2ct6 n ASN 59 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2ct6 s VAL 60 N -4.99 -0.78 0.91 2.41 1.01 -0.93 -4.85 120.40 113.18 2ct6 s VAL 60 Ca 0.50 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 2ct6 s VAL 60 Cb 0.41 -0.84 0.14 0.00 0.00 0.00 0.00 36.38 36.09 2ct6 s VAL 60 CO -0.06 -0.00 1.14 -2.16 0.00 0.00 0.00 175.10 174.01 2ct6 s PRO 61 N 2.71 1.18 0.26 2.72 0.04 -1.26 -4.87 135.00 135.78 2ct6 s PRO 61 Ca 0.05 0.30 0.12 0.00 0.04 0.00 0.00 61.00 61.51 2ct6 s PRO 61 Cb -0.13 -1.84 0.25 0.00 0.04 0.00 0.00 34.50 32.82 2ct6 s PRO 61 CO -0.16 -2.17 1.54 -1.00 0.04 0.00 0.00 177.00 175.24 2ct6 h PRO 62 N -1.48 0.00 0.00 0.56 0.13 -1.98 -0.60 132.00 128.63 2ct6 h PRO 62 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ct6 h PRO 62 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2ct6 h PRO 62 CO 0.62 0.65 0.00 1.05 -0.23 0.00 0.00 178.00 180.09 2ct6 h GLU 63 N 0.00 0.00 0.00 0.86 4.11 -2.02 -2.86 114.58 114.67 2ct6 h GLU 63 Ca -0.01 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.06 2ct6 h GLU 63 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2ct6 h GLU 63 CO 0.08 0.00 -2.37 1.63 0.07 0.00 0.00 179.01 178.43 2ct6 n LYS 64 N -2.81 0.75 -1.73 1.06 4.76 -1.09 -4.96 118.16 114.13 2ct6 n LYS 64 Ca 0.01 -0.00 -0.67 0.00 -2.87 0.00 0.00 58.31 54.78 2ct6 n LYS 64 Cb 0.30 -1.51 -0.10 0.00 -1.84 0.00 0.00 35.03 31.88 2ct6 n LYS 64 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2ct6 n LYS 65 N -2.76 0.00 -1.53 1.97 5.02 -0.25 -4.89 118.16 115.73 2ct6 n LYS 65 Ca -0.33 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.67 2ct6 n LYS 65 Cb 1.14 -1.49 0.16 0.00 -0.02 0.00 0.00 35.03 34.82 2ct6 n LYS 65 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2ct6 s PRO 66 N 2.93 0.78 0.00 1.97 0.04 -1.26 -4.70 135.00 134.75 2ct6 s PRO 66 Ca 1.04 0.15 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2ct6 s PRO 66 Cb -1.48 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2ct6 s PRO 66 CO 0.81 -2.42 0.00 2.41 0.04 0.00 0.00 177.00 177.84 2ct6 n THR 67 N -3.89 0.00 -3.63 1.26 -1.04 -1.26 -4.34 114.28 101.38 2ct6 n THR 67 Ca 0.08 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.99 2ct6 n THR 67 Cb 0.59 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.03 2ct6 n THR 67 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ct6 s GLN 68 N 0.00 0.61 1.15 -2.82 -2.07 -1.26 -5.15 119.66 110.12 2ct6 s GLN 68 Ca 0.00 0.63 0.00 0.00 -1.82 0.00 0.00 55.36 54.17 2ct6 s GLN 68 Cb 0.00 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 2ct6 s GLN 68 CO 0.00 -0.09 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 2ct6 n GLY 69 N 2.13 -1.47 3.30 2.60 0.00 -1.26 -4.95 105.19 105.54 2ct6 n GLY 69 Ca -0.13 -1.61 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 2ct6 n GLY 69 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ct6 n ASN 70 N 0.08 -3.06 -4.74 1.61 3.02 -1.26 -4.73 115.26 106.18 2ct6 n ASN 70 Ca 0.00 0.44 -0.41 0.00 -0.03 0.00 0.00 54.58 54.58 2ct6 n ASN 70 Cb 0.00 -1.04 -0.04 0.00 -0.61 0.00 0.00 39.78 38.10 2ct6 n ASN 70 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2ct6 s PRO 71 N -2.46 4.58 0.25 3.52 0.04 -1.26 -4.75 135.00 134.91 2ct6 s PRO 71 Ca 0.56 1.75 0.10 0.00 0.04 0.00 0.00 61.00 63.44 2ct6 s PRO 71 Cb -0.30 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2ct6 s PRO 71 CO 0.68 0.06 -0.06 -0.51 0.04 0.00 0.00 177.00 177.21 2ct6 s LEU 72 N -0.45 3.03 0.89 -3.56 1.43 -1.26 -4.91 118.68 113.85 2ct6 s LEU 72 Ca 0.49 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 2ct6 s LEU 72 Cb -0.30 -1.59 0.12 0.00 0.03 0.00 0.00 46.19 44.45 2ct6 s LEU 72 CO 0.36 0.04 1.13 -2.16 0.23 0.00 0.00 176.35 175.94 2ct6 s PRO 73 N -3.41 1.33 0.70 1.29 0.04 -1.26 -4.60 135.00 129.08 2ct6 s PRO 73 Ca 0.29 0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 2ct6 s PRO 73 Cb -0.07 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.63 2ct6 s PRO 73 CO 0.18 -2.08 1.06 -1.25 0.04 0.00 0.00 177.00 174.95 2ct6 s PRO 74 N -5.26 2.90 -0.40 0.56 0.04 -1.26 -4.83 135.00 126.75 2ct6 s PRO 74 Ca 0.63 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.68 2ct6 s PRO 74 Cb -0.15 -1.99 0.22 0.00 0.04 0.00 0.00 34.50 32.63 2ct6 s PRO 74 CO 0.53 -1.12 0.45 1.04 0.04 0.00 0.00 177.00 177.95 2ct6 n GLN 75 N -3.14 0.50 -1.60 4.56 1.13 -1.17 -3.42 117.38 114.24 2ct6 n GLN 75 Ca 0.07 -3.19 -0.43 0.00 -1.94 0.00 0.00 57.00 51.52 2ct6 n GLN 75 Cb 0.54 -1.39 -0.01 0.00 0.11 0.00 0.00 30.24 29.49 2ct6 n GLN 75 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2ct6 n ILE 76 N 1.97 2.08 -3.43 5.09 -0.00 -1.20 -3.47 119.36 120.40 2ct6 n ILE 76 Ca 0.24 -0.50 -0.13 0.00 -0.00 0.00 0.00 62.75 62.36 2ct6 n ILE 76 Cb 0.51 -1.09 -0.10 0.00 -0.00 0.00 0.00 39.64 38.96 2ct6 n ILE 76 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 2ct6 s PHE 77 N -1.13 -0.56 -0.73 1.39 0.08 0.87 -2.97 117.98 114.94 2ct6 s PHE 77 Ca 0.59 0.58 -0.23 0.00 0.12 0.00 0.00 56.93 57.99 2ct6 s PHE 77 Cb -0.65 -0.15 0.06 0.00 -0.57 0.00 0.00 43.02 41.72 2ct6 s PHE 77 CO 0.60 -0.65 1.09 1.21 -0.10 0.00 0.00 175.22 177.37 2ct6 s ASN 78 N 2.44 6.23 0.06 1.36 3.84 -0.95 -1.41 114.94 126.51 2ct6 s ASN 78 Ca 0.09 -0.97 0.00 0.00 0.21 0.00 0.00 52.86 52.20 2ct6 s ASN 78 Cb -0.15 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 2ct6 s ASN 78 CO -0.14 -1.52 0.00 0.61 -2.79 0.00 0.00 177.10 173.26 2ct6 n GLY 79 N 5.45 1.53 0.18 1.21 0.00 -1.24 -1.64 105.19 110.69 2ct6 n GLY 79 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2ct6 n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ct6 n ASP 80 N 5.37 0.13 -4.55 1.61 5.75 -1.26 -5.00 116.55 118.60 2ct6 n ASP 80 Ca 0.00 -1.45 -0.35 0.00 -0.01 0.00 0.00 54.79 52.98 2ct6 n ASP 80 Cb 0.00 -0.08 -0.11 0.00 -1.03 0.00 0.00 41.12 39.90 2ct6 n ASP 80 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2ct6 s ARG 81 N -0.11 3.81 -0.42 0.11 3.52 -0.65 -5.04 118.95 120.17 2ct6 s ARG 81 Ca 0.01 -0.43 -0.27 0.00 -0.13 0.00 0.00 55.73 54.91 2ct6 s ARG 81 Cb 0.01 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 2ct6 s ARG 81 CO 0.00 0.16 1.98 -0.47 -0.81 0.00 0.00 175.30 176.16 2ct6 s TYR 82 N 0.65 1.56 0.00 5.12 5.04 -1.26 -2.24 117.35 126.21 2ct6 s TYR 82 Ca 0.02 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.47 2ct6 s TYR 82 Cb -0.14 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.18 2ct6 s TYR 82 CO 0.02 -2.84 0.33 0.00 -1.34 0.00 0.00 175.55 171.72 2ct6 n GLY 84 N 0.91 3.18 3.01 0.00 0.00 -1.22 -5.01 105.19 106.06 2ct6 n GLY 84 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 2ct6 n GLY 84 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ct6 n ASP 85 N 0.00 -2.05 -0.31 1.61 5.75 -1.26 -3.24 116.55 117.05 2ct6 n ASP 85 Ca 0.00 -1.06 0.25 0.00 -0.01 0.00 0.00 54.79 53.97 2ct6 n ASP 85 Cb 0.00 -0.87 0.55 0.00 -1.03 0.00 0.00 41.12 39.78 2ct6 n ASP 85 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2ct6 h TYR 86 N -2.61 0.53 -0.15 2.11 3.20 -1.90 0.19 116.97 118.34 2ct6 h TYR 86 Ca -0.35 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.57 2ct6 h TYR 86 Cb 1.09 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 2ct6 h TYR 86 CO 0.00 0.05 -0.09 0.22 -1.64 0.00 0.00 178.16 176.71 2ct6 h ASP 87 N 0.32 -0.28 0.89 -2.11 3.58 -1.91 0.20 116.42 117.10 2ct6 h ASP 87 Ca 0.58 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 58.05 2ct6 h ASP 87 Cb 1.61 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.81 2ct6 h ASP 87 CO -0.24 -0.12 -0.49 0.28 -2.88 0.00 0.00 179.24 175.80 2ct6 h SER 88 N -0.08 -1.19 -0.48 2.28 0.02 -0.92 0.58 113.55 113.76 2ct6 h SER 88 Ca 0.09 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 2ct6 h SER 88 Cb 0.21 0.33 -0.09 0.00 0.14 0.00 0.00 62.40 62.99 2ct6 h SER 88 CO -0.20 -0.78 -0.55 0.15 -1.14 0.00 0.00 176.83 174.31 2ct6 h PHE 89 N -1.27 -1.69 -0.41 3.45 3.57 -1.20 0.24 116.94 119.63 2ct6 h PHE 89 Ca -0.12 0.09 0.08 0.00 3.53 0.00 0.00 57.97 61.55 2ct6 h PHE 89 Cb 0.99 0.80 -0.08 0.00 2.79 0.00 0.00 35.95 40.46 2ct6 h PHE 89 CO -0.05 -0.47 -0.12 0.35 -2.23 0.00 0.00 178.31 175.78 2ct6 h PHE 90 N -0.34 -0.27 0.00 0.41 3.04 -0.56 0.77 116.94 119.98 2ct6 h PHE 90 Ca 0.09 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2ct6 h PHE 90 Cb 0.58 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.27 2ct6 h PHE 90 CO -0.76 -0.20 0.09 0.93 -2.02 0.00 0.00 178.31 176.36 2ct6 h GLU 91 N -0.03 0.00 0.03 1.11 5.08 0.64 -1.11 114.58 120.31 2ct6 h GLU 91 Ca 0.20 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.20 2ct6 h GLU 91 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2ct6 h GLU 91 CO -0.44 0.00 -2.06 0.45 -1.00 0.00 0.00 179.01 175.96 2ct6 n SER 92 N -2.44 1.99 -0.33 1.42 2.88 0.22 -4.19 113.62 113.17 2ct6 n SER 92 Ca -0.02 0.21 0.18 0.00 -1.33 0.00 0.00 58.87 57.92 2ct6 n SER 92 Cb 0.13 -0.77 0.39 0.00 -0.75 0.00 0.00 64.21 63.21 2ct6 n SER 92 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2ct6 h LYS 93 N -0.47 0.43 -0.36 -1.46 1.57 0.12 1.89 116.57 118.29 2ct6 h LYS 93 Ca -0.51 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.26 2ct6 h LYS 93 Cb 1.72 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 2ct6 h LYS 93 CO -0.15 0.28 0.24 0.93 -0.57 0.00 0.00 179.45 180.18 2ct6 h GLU 94 N 0.44 0.40 -0.02 3.15 5.08 -1.62 0.04 114.58 122.06 2ct6 h GLU 94 Ca 0.65 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 2ct6 h GLU 94 Cb 1.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2ct6 h GLU 94 CO -0.54 0.27 -0.15 0.45 -1.00 0.00 0.00 179.01 178.04 2ct6 n SER 95 N -4.49 2.61 -3.63 1.42 2.88 0.50 -4.96 113.62 107.95 2ct6 n SER 95 Ca 0.03 -1.80 -0.22 0.00 -1.33 0.00 0.00 58.87 55.54 2ct6 n SER 95 Cb 0.12 0.16 0.06 0.00 -0.75 0.00 0.00 64.21 63.79 2ct6 n SER 95 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2ct6 n ASN 96 N 0.86 -3.36 -0.28 -3.46 2.85 0.52 -4.88 115.26 107.51 2ct6 n ASN 96 Ca 0.12 -0.68 0.03 0.00 -0.11 0.00 0.00 54.58 53.93 2ct6 n ASN 96 Cb 0.53 -4.61 0.06 0.00 1.24 0.00 0.00 39.78 37.01 2ct6 n ASN 96 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2ct6 n THR 97 N -4.48 0.88 -0.33 -0.44 -2.24 -0.78 -4.70 114.28 102.19 2ct6 n THR 97 Ca -0.16 -0.94 0.17 0.00 -2.27 0.00 0.00 64.05 60.85 2ct6 n THR 97 Cb 0.62 0.57 0.34 0.00 -2.10 0.00 0.00 70.33 69.77 2ct6 n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2ct6 h VAL 98 N 0.92 0.07 0.23 2.28 2.07 -1.87 1.64 116.25 121.60 2ct6 h VAL 98 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2ct6 h VAL 98 Cb 0.56 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2ct6 h VAL 98 CO 0.00 0.01 -0.25 -0.26 0.02 0.00 0.00 177.57 177.09 2ct6 h PHE 99 N 0.04 -0.66 -0.10 1.57 -1.00 -1.90 -0.33 116.94 114.56 2ct6 h PHE 99 Ca 0.64 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 61.34 2ct6 h PHE 99 Cb 1.40 0.26 -0.01 0.00 3.61 0.00 0.00 35.95 41.21 2ct6 h PHE 99 CO -0.37 -0.36 -0.31 0.77 -1.61 0.00 0.00 178.31 176.43 2ct6 h SER 100 N -0.52 0.19 -0.28 2.17 0.02 -0.24 1.18 113.55 116.07 2ct6 h SER 100 Ca -0.00 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2ct6 h SER 100 Cb 0.49 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2ct6 h SER 100 CO -0.07 0.50 0.12 0.15 -1.14 0.00 0.00 176.83 176.39 2ct6 h PHE 101 N 0.17 0.47 0.00 3.45 3.57 0.28 -1.66 116.94 123.22 2ct6 h PHE 101 Ca 0.02 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2ct6 h PHE 101 Cb 0.63 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2ct6 h PHE 101 CO 0.01 0.38 -1.10 -0.07 -2.23 0.00 0.00 178.31 175.30 2ct6 h LEU 102 N 0.47 0.00 0.00 0.59 3.38 -0.59 -3.45 115.31 115.71 2ct6 h LEU 102 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2ct6 h LEU 102 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ct6 h LEU 102 CO -0.01 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2ct6 n GLY 103 N 1.25 1.64 2.75 0.83 0.00 -0.08 -4.67 105.19 106.92 2ct6 n GLY 103 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2ct6 n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ct6 n LEU 104 N 0.00 7.42 -2.68 0.99 4.77 0.39 -4.62 117.00 123.27 2ct6 n LEU 104 Ca 0.00 -5.17 -0.02 0.00 -0.03 0.00 0.00 56.01 50.79 2ct6 n LEU 104 Cb 0.00 -1.13 0.03 0.00 -2.33 0.00 0.00 43.42 39.99 2ct6 n LEU 104 CO 0.00 1.93 0.51 -0.54 -1.33 0.00 0.00 177.39 177.96 2ct6 s LYS 105 N -4.23 0.15 -0.33 3.23 1.02 -1.26 -4.47 119.74 113.84 2ct6 s LYS 105 Ca 0.44 -0.13 -0.08 0.00 0.02 0.00 0.00 55.97 56.22 2ct6 s LYS 105 Cb 0.29 -0.00 0.20 0.00 -0.52 0.00 0.00 37.83 37.80 2ct6 s LYS 105 CO -0.25 -0.19 1.09 0.45 -0.92 0.00 0.00 175.35 175.54 2ct6 s SER 106 N 1.16 -0.27 0.00 2.83 0.15 -1.26 -4.99 113.70 111.32 2ct6 s SER 106 Ca 0.22 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2ct6 s SER 106 Cb 0.12 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2ct6 s SER 106 CO -0.12 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2ct6 n GLY 107 N 3.02 1.12 3.76 9.45 0.00 -1.26 -4.99 105.19 116.29 2ct6 n GLY 107 Ca 0.09 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 2ct6 n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ct6 s PRO 108 N -1.77 4.58 0.00 1.61 0.04 -1.26 -4.70 135.00 133.50 2ct6 s PRO 108 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2ct6 s PRO 108 Cb 0.00 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2ct6 s PRO 108 CO 0.00 0.18 0.00 0.45 0.04 0.00 0.00 177.00 177.67 2ct6 n SER 109 N 1.00 0.00 -4.71 6.66 2.88 -1.26 -5.14 113.62 113.04 2ct6 n SER 109 Ca -0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2ct6 n SER 109 Cb 0.46 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.05 2ct6 n SER 109 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ct6 s SER 110 N 0.00 3.54 0.00 -3.46 0.01 -1.26 -5.19 113.70 107.34 2ct6 s SER 110 Ca 0.00 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.34 2ct6 s SER 110 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2ct6 s SER 110 CO 0.00 -2.69 0.00 0.61 0.41 0.00 0.00 173.24 171.57