#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kot s ALA 2 N 0.00 -0.85 -0.48 3.17 0.00 -1.26 -5.10 121.76 117.24 2kot s ALA 2 Ca 0.00 1.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 2kot s ALA 2 Cb 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.47 2kot s ALA 2 CO 0.00 -0.20 0.78 0.00 0.00 0.00 0.00 175.76 176.35 2kot s ALA 3 N 0.74 3.28 -0.08 0.00 0.00 -1.26 -5.05 121.76 119.39 2kot s ALA 3 Ca -0.05 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 2kot s ALA 3 Cb -0.06 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2kot s ALA 3 CO -0.05 -2.02 -0.05 -2.00 0.00 0.00 0.00 175.76 171.64 2kot s GLU 4 N 3.30 2.84 0.26 0.00 2.12 -1.26 -4.88 118.70 121.07 2kot s GLU 4 Ca 0.27 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 2kot s GLU 4 Cb -0.13 -2.65 -0.11 0.00 0.26 0.00 0.00 34.13 31.50 2kot s GLU 4 CO 0.20 0.66 1.52 -2.14 -0.54 0.00 0.00 175.26 174.97 2kot s PRO 5 N -0.80 4.20 0.00 4.30 0.02 -1.26 -4.93 135.00 136.53 2kot s PRO 5 Ca 0.12 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.57 2kot s PRO 5 Cb -0.11 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.33 2kot s PRO 5 CO 0.02 -0.53 0.00 1.28 -0.33 0.00 0.00 177.00 177.43 2kot n LEU 6 N 2.45 0.00 -4.52 -5.54 4.77 -1.26 -5.01 117.00 107.89 2kot n LEU 6 Ca 0.08 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.77 2kot n LEU 6 Cb 0.39 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.72 2kot n LEU 6 CO 0.62 0.00 0.54 -0.89 -1.33 0.00 0.00 177.39 176.33 2kot s THR 7 N 2.95 2.03 0.23 -5.08 2.01 -1.26 -4.41 115.64 112.11 2kot s THR 7 Ca 0.00 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 2kot s THR 7 Cb 0.00 -2.06 0.19 0.00 0.01 0.00 0.00 72.50 70.63 2kot s THR 7 CO 0.00 -0.01 1.76 -0.08 -0.69 0.00 0.00 174.62 175.60 2kot h GLU 8 N -2.53 0.51 0.02 4.92 4.81 -2.01 0.82 114.58 121.11 2kot h GLU 8 Ca -0.59 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 58.38 2kot h GLU 8 Cb 1.32 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2kot h GLU 8 CO 0.49 0.34 -0.98 -0.07 -0.73 0.00 0.00 179.01 178.06 2kot h LEU 9 N 0.53 0.55 -0.62 1.64 3.38 -2.00 -2.66 115.31 116.12 2kot h LEU 9 Ca 0.37 -0.45 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 2kot h LEU 9 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2kot h LEU 9 CO -0.32 1.26 -0.69 -0.33 0.09 0.00 0.00 178.44 178.45 2kot h GLU 10 N 0.22 0.01 0.00 1.13 5.08 -1.78 -3.14 114.58 116.10 2kot h GLU 10 Ca -0.09 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 2kot h GLU 10 Cb 1.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.86 2kot h GLU 10 CO 0.17 0.70 -0.73 1.49 -1.00 0.00 0.00 179.01 179.64 2kot h GLU 11 N 0.01 0.00 0.00 2.33 4.81 0.61 -2.84 114.58 119.50 2kot h GLU 11 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kot h GLU 11 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2kot h GLU 11 CO 0.09 0.73 -0.00 0.77 -0.73 0.00 0.00 179.01 179.87 2kot h SER 12 N 0.00 -0.00 1.05 1.04 0.02 -1.42 -0.74 113.55 113.50 2kot h SER 12 Ca -0.01 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2kot h SER 12 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2kot h SER 12 CO 0.10 0.12 0.00 0.16 -1.14 0.00 0.00 176.83 176.07 2kot h ILE 13 N -0.12 0.00 0.19 3.27 -0.00 -1.62 -3.16 117.51 116.06 2kot h ILE 13 Ca -0.00 -0.42 -0.27 0.00 -0.00 0.00 0.00 64.86 64.17 2kot h ILE 13 Cb 0.12 1.30 0.03 0.00 -0.00 0.00 0.00 36.82 38.27 2kot h ILE 13 CO 0.00 0.00 -1.22 -0.08 -0.00 0.00 0.00 178.15 176.85 2kot h GLU 14 N 0.00 0.40 -0.58 0.16 4.22 -1.23 -3.34 114.58 114.22 2kot h GLU 14 Ca 0.00 -0.69 0.02 0.00 0.08 0.00 0.00 59.36 58.76 2kot h GLU 14 Cb 0.53 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 2kot h GLU 14 CO 0.00 1.33 0.38 1.15 -2.18 0.00 0.00 179.01 179.69 2kot h THR 15 N -0.12 1.12 -0.01 0.32 2.02 -1.11 -1.47 112.91 113.67 2kot h THR 15 Ca -0.22 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 2kot h THR 15 Cb 1.91 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2kot h THR 15 CO 0.20 0.13 -0.25 0.58 0.37 0.00 0.00 175.52 176.55 2kot h VAL 16 N 0.74 1.18 0.05 3.16 2.07 -1.69 -2.61 116.25 119.15 2kot h VAL 16 Ca 0.22 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2kot h VAL 16 Cb -0.02 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2kot h VAL 16 CO -0.05 0.25 -0.02 0.58 0.02 0.00 0.00 177.57 178.35 2kot h VAL 17 N 0.01 0.00 -0.83 2.57 2.07 -1.42 -3.35 116.25 115.31 2kot h VAL 17 Ca 0.00 -0.49 0.15 0.00 0.82 0.00 0.00 66.70 67.18 2kot h VAL 17 Cb 0.45 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 2kot h VAL 17 CO 0.03 0.00 0.54 0.71 0.02 0.00 0.00 177.57 178.87 2kot h THR 18 N -0.55 0.81 -0.42 2.57 1.35 -1.43 0.19 112.91 115.44 2kot h THR 18 Ca -0.01 -0.19 -0.09 0.00 -0.55 0.00 0.00 66.41 65.57 2kot h THR 18 Cb 0.05 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 66.66 2kot h THR 18 CO 0.01 0.10 -0.09 0.74 -0.25 0.00 0.00 175.52 176.03 2kot h THR 19 N 0.56 1.27 0.00 6.82 2.02 -1.66 -3.35 112.91 118.57 2kot h THR 19 Ca 0.41 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.40 2kot h THR 19 Cb 0.78 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2kot h THR 19 CO -0.16 0.40 -1.62 0.33 0.37 0.00 0.00 175.52 174.84 2kot n PHE 20 N -4.32 0.00 0.29 3.16 7.35 -1.10 -4.53 117.46 118.30 2kot n PHE 20 Ca -0.01 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.86 2kot n PHE 20 Cb 0.36 -0.32 0.80 0.00 0.35 0.00 0.00 39.48 40.68 2kot n PHE 20 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2kot h PHE 21 N 0.00 0.00 -0.36 -5.13 -1.00 -0.77 -0.84 116.94 108.83 2kot h PHE 21 Ca 0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 2kot h PHE 21 Cb 0.65 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 2kot h PHE 21 CO 0.00 0.02 -0.03 1.15 -1.61 0.00 0.00 178.31 177.83 2kot h THR 22 N 0.00 1.22 0.00 -1.55 2.02 -1.79 -2.02 112.91 110.79 2kot h THR 22 Ca -0.00 -0.91 -0.17 0.00 0.77 0.00 0.00 66.41 66.10 2kot h THR 22 Cb 0.40 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2kot h THR 22 CO 0.00 0.31 -2.10 0.49 0.37 0.00 0.00 175.52 174.59 2kot n PHE 23 N -4.24 0.09 0.17 3.16 3.01 -1.07 -4.45 117.46 114.13 2kot n PHE 23 Ca 0.02 0.03 0.06 0.00 1.01 0.00 0.00 57.45 58.56 2kot n PHE 23 Cb 0.28 -0.76 0.08 0.00 -0.01 0.00 0.00 39.48 39.07 2kot n PHE 23 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kot h ALA 24 N 1.53 0.78 0.00 4.37 0.00 -1.15 -3.30 119.26 121.50 2kot h ALA 24 Ca -0.24 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kot h ALA 24 Cb 1.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2kot h ALA 24 CO 0.02 0.43 0.00 0.07 0.00 0.00 0.00 179.25 179.77 2kot h ARG 25 N 0.00 0.00 0.00 0.00 0.11 -1.49 -3.18 114.38 109.81 2kot h ARG 25 Ca -0.00 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.00 2kot h ARG 25 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2kot h ARG 25 CO 0.04 0.00 -0.36 0.37 0.10 0.00 0.00 179.97 180.13 2kot h GLN 26 N 0.00 0.00 -5.26 0.08 4.15 -1.82 -3.40 115.11 108.87 2kot h GLN 26 Ca 0.00 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.75 2kot h GLN 26 Cb 0.38 0.00 -0.32 0.00 0.21 0.00 0.00 27.48 27.75 2kot h GLN 26 CO 0.00 0.36 -0.85 -1.21 -1.93 0.00 0.00 178.83 175.20 2kot s GLU 27 N -3.99 3.10 -0.17 1.69 0.41 -1.20 -4.95 118.70 113.59 2kot s GLU 27 Ca -0.02 -0.83 -0.05 0.00 -0.41 0.00 0.00 54.97 53.66 2kot s GLU 27 Cb 0.13 -2.45 0.02 0.00 -1.78 0.00 0.00 34.13 30.06 2kot s GLU 27 CO 0.70 0.08 0.10 0.41 -0.49 0.00 0.00 175.26 176.06 2kot n GLY 28 N 3.84 -3.49 1.43 -1.39 0.00 -1.26 -4.64 105.19 99.68 2kot n GLY 28 Ca -0.19 0.89 0.18 0.00 0.00 0.00 0.00 46.02 46.91 2kot n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kot n ARG 29 N 1.49 -3.12 -0.06 1.61 3.00 -1.26 -4.47 116.66 113.85 2kot n ARG 29 Ca -0.17 2.34 -0.02 0.00 -0.01 0.00 0.00 57.85 59.98 2kot n ARG 29 Cb 0.33 -3.72 -0.01 0.00 0.00 0.00 0.00 32.46 29.07 2kot n ARG 29 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2kot h LYS 30 N -1.38 0.00 -3.12 5.56 1.79 -1.90 -3.40 116.57 114.12 2kot h LYS 30 Ca -0.09 0.00 -0.77 0.00 -2.18 0.00 0.00 60.65 57.61 2kot h LYS 30 Cb 1.35 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.82 2kot h LYS 30 CO 0.05 0.07 1.84 -0.25 -1.08 0.00 0.00 179.45 180.07 2kot n ASP 31 N -4.72 6.14 -3.64 0.86 9.92 -1.26 -3.99 116.55 119.86 2kot n ASP 31 Ca -0.03 -3.21 -0.08 0.00 -0.53 0.00 0.00 54.79 50.94 2kot n ASP 31 Cb 0.11 -1.40 -0.07 0.00 -0.64 0.00 0.00 41.12 39.12 2kot n ASP 31 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2kot s SER 32 N 0.12 -0.91 0.52 -2.24 0.15 -1.26 -4.16 113.70 105.92 2kot s SER 32 Ca 0.41 1.50 -0.13 0.00 0.70 0.00 0.00 55.95 58.43 2kot s SER 32 Cb 0.11 1.38 -0.06 0.00 -1.71 0.00 0.00 66.02 65.75 2kot s SER 32 CO -0.01 -0.24 0.94 -0.76 1.20 0.00 0.00 173.24 174.37 2kot s LEU 33 N 1.47 3.55 0.15 3.45 1.02 -0.57 -4.51 118.68 123.24 2kot s LEU 33 Ca -0.09 1.38 -0.03 0.00 0.02 0.00 0.00 54.13 55.42 2kot s LEU 33 Cb -0.05 -4.34 -0.05 0.00 0.02 0.00 0.00 46.19 41.77 2kot s LEU 33 CO -0.17 -0.63 0.35 -0.55 0.02 0.00 0.00 176.35 175.37 2kot s SER 34 N -3.50 6.43 0.50 2.29 0.15 -1.26 -0.92 113.70 117.39 2kot s SER 34 Ca 0.55 0.47 0.20 0.00 0.70 0.00 0.00 55.95 57.87 2kot s SER 34 Cb -0.10 -2.04 1.30 0.00 -1.71 0.00 0.00 66.02 63.47 2kot s SER 34 CO 0.39 0.04 2.09 1.62 1.20 0.00 0.00 173.24 178.58 2kot h VAL 35 N 1.89 0.87 0.02 4.45 3.04 -1.96 -2.49 116.25 122.07 2kot h VAL 35 Ca -0.46 -0.38 -0.36 0.00 -1.01 0.00 0.00 66.70 64.48 2kot h VAL 35 Cb 1.17 1.22 -0.06 0.00 -2.01 0.00 0.00 31.29 31.61 2kot h VAL 35 CO 0.72 0.10 -2.24 -3.20 -1.01 0.00 0.00 177.57 171.94 2kot n ASN 36 N -4.12 0.96 -0.09 3.17 5.15 -1.26 -4.19 115.26 114.88 2kot n ASN 36 Ca -0.02 0.07 -0.13 0.00 -0.60 0.00 0.00 54.58 53.89 2kot n ASN 36 Cb 0.19 0.19 -0.04 0.00 -0.53 0.00 0.00 39.78 39.58 2kot n ASN 36 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2kot h GLU 37 N 0.01 0.75 -0.23 1.20 5.08 -1.96 -3.13 114.58 116.30 2kot h GLU 37 Ca -0.49 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 57.41 2kot h GLU 37 Cb 2.08 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.34 2kot h GLU 37 CO 0.01 1.04 -0.05 0.27 -1.00 0.00 0.00 179.01 179.28 2kot h PHE 38 N 0.51 0.36 -0.80 4.33 -0.00 -1.68 -2.71 116.94 116.96 2kot h PHE 38 Ca 0.04 -0.03 0.01 0.00 -0.00 0.00 0.00 57.97 57.99 2kot h PHE 38 Cb 0.92 -0.11 -0.04 0.00 -0.00 0.00 0.00 35.95 36.72 2kot h PHE 38 CO 0.07 0.41 0.52 -0.22 -0.00 0.00 0.00 178.31 179.10 2kot h LYS 39 N 0.34 1.05 -0.06 6.09 3.64 -1.71 -2.45 116.57 123.47 2kot h LYS 39 Ca 0.07 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2kot h LYS 39 Cb 0.31 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2kot h LYS 39 CO 0.01 0.70 -0.63 0.93 -2.27 0.00 0.00 179.45 178.19 2kot h GLU 40 N 1.08 0.21 -0.71 1.90 5.08 -1.50 -3.14 114.58 117.51 2kot h GLU 40 Ca 0.29 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2kot h GLU 40 Cb -0.12 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2kot h GLU 40 CO -0.06 0.77 0.16 1.25 -1.00 0.00 0.00 179.01 180.13 2kot h LEU 41 N 0.16 1.08 -0.85 1.33 5.85 -1.34 -2.66 115.31 118.87 2kot h LEU 41 Ca -0.01 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.37 2kot h LEU 41 Cb 1.14 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2kot h LEU 41 CO 0.10 1.04 -0.47 0.58 -0.34 0.00 0.00 178.44 179.34 2kot h VAL 42 N 1.07 1.11 -0.56 1.05 2.07 -1.52 -0.06 116.25 119.41 2kot h VAL 42 Ca 0.22 -1.77 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 2kot h VAL 42 Cb 0.39 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 2kot h VAL 42 CO 0.00 0.46 0.06 0.41 0.02 0.00 0.00 177.57 178.53 2kot n THR 43 N -3.64 2.74 0.13 2.57 -1.04 -1.13 -2.20 114.28 111.71 2kot n THR 43 Ca -0.01 -1.57 0.00 0.00 -2.04 0.00 0.00 64.05 60.43 2kot n THR 43 Cb 0.55 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 2kot n THR 43 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2kot n GLN 44 N 0.22 0.00 -0.00 -2.82 7.27 -1.02 -4.91 117.38 116.12 2kot n GLN 44 Ca 0.30 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.47 2kot n GLN 44 Cb 1.19 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 33.72 2kot n GLN 44 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2kot n GLN 45 N -3.20 0.47 -2.67 3.69 7.27 -0.71 -4.63 117.38 117.60 2kot n GLN 45 Ca 0.00 -0.05 -0.09 0.00 0.07 0.00 0.00 57.00 56.93 2kot n GLN 45 Cb 0.00 -1.45 0.03 0.00 2.41 0.00 0.00 30.24 31.23 2kot n GLN 45 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2kot n LEU 46 N -1.68 1.73 0.03 1.69 7.94 -0.12 -4.93 117.00 121.65 2kot n LEU 46 Ca 0.02 -3.73 -0.06 0.00 -1.11 0.00 0.00 56.01 51.13 2kot n LEU 46 Cb 0.37 0.37 -0.11 0.00 0.53 0.00 0.00 43.42 44.58 2kot n LEU 46 CO 0.41 1.54 -0.19 1.55 -1.11 0.00 0.00 177.39 179.59 2kot h PRO 47 N 2.90 0.00 0.00 1.96 0.13 -1.68 -3.36 132.00 131.95 2kot h PRO 47 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2kot h PRO 47 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kot h PRO 47 CO 0.48 0.64 -0.06 0.45 -0.23 0.00 0.00 178.00 179.28 2kot h HIS 48 N 0.00 0.00 0.20 1.56 3.86 -1.92 -3.34 115.15 115.51 2kot h HIS 48 Ca -0.15 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 2kot h HIS 48 Cb 1.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.30 2kot h HIS 48 CO 0.00 0.06 -0.10 1.25 0.86 0.00 0.00 177.93 180.01 2kot h LEU 49 N 0.00 -0.23 -8.78 2.43 5.85 -1.87 -3.42 115.31 109.29 2kot h LEU 49 Ca -0.00 -0.25 -0.63 0.00 0.84 0.00 0.00 57.88 57.84 2kot h LEU 49 Cb 0.93 0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.88 2kot h LEU 49 CO 0.01 0.31 0.12 -0.76 -0.34 0.00 0.00 178.44 177.78 2kot s LEU 50 N -8.94 4.26 0.41 2.25 1.43 -1.25 -4.63 118.68 112.21 2kot s LEU 50 Ca -0.10 0.14 0.11 0.00 -1.03 0.00 0.00 54.13 53.25 2kot s LEU 50 Cb 0.00 -2.77 0.95 0.00 0.03 0.00 0.00 46.19 44.40 2kot s LEU 50 CO 0.37 -0.58 1.98 0.07 0.23 0.00 0.00 176.35 178.42 2kot h LYS 51 N 8.45 0.49 -3.69 1.70 -0.00 -1.82 -3.33 116.57 118.36 2kot h LYS 51 Ca -0.26 -0.03 -0.75 0.00 -0.00 0.00 0.00 60.65 59.60 2kot h LYS 51 Cb 1.11 -0.11 -0.30 0.00 -0.00 0.00 0.00 32.23 32.93 2kot h LYS 51 CO 0.83 0.32 -0.06 0.34 -0.00 0.00 0.00 179.45 180.88 2kot s ASP 52 N -6.27 6.20 0.21 7.07 -1.08 -1.26 -4.89 116.67 116.65 2kot s ASP 52 Ca -0.08 -2.86 0.10 0.00 -0.52 0.00 0.00 52.55 49.19 2kot s ASP 52 Cb 0.19 -2.07 0.07 0.00 -1.46 0.00 0.00 42.92 39.66 2kot s ASP 52 CO 0.75 -0.46 1.44 -0.37 0.52 0.00 0.00 175.17 177.05 2kot h VAL 53 N 4.85 1.45 0.18 1.11 -1.51 -1.88 -3.37 116.25 117.07 2kot h VAL 53 Ca 0.07 -2.71 -0.01 0.00 -1.23 0.00 0.00 66.70 62.82 2kot h VAL 53 Cb 0.99 2.50 0.00 0.00 -2.13 0.00 0.00 31.29 32.65 2kot h VAL 53 CO 0.75 0.75 -0.08 1.23 -1.23 0.00 0.00 177.57 178.99 2kot h GLY 54 N 2.64 -0.25 -7.40 5.19 0.00 -1.95 -3.41 103.07 97.90 2kot h GLY 54 Ca -0.01 0.09 -0.67 0.00 0.00 0.00 0.00 47.33 46.75 2kot h GLY 54 CO 0.10 -0.09 1.22 -0.45 0.00 0.00 0.00 176.54 177.32 2kot s SER 55 N -5.38 6.65 0.00 0.19 0.15 -1.26 -4.74 113.70 109.31 2kot s SER 55 Ca -0.07 -1.99 0.12 0.00 0.70 0.00 0.00 55.95 54.71 2kot s SER 55 Cb 0.00 -2.47 0.19 0.00 -1.71 0.00 0.00 66.02 62.03 2kot s SER 55 CO 0.25 -1.18 1.04 -0.11 1.20 0.00 0.00 173.24 174.44 2kot n LEU 56 N 7.36 2.40 0.18 3.45 -0.00 -1.26 -4.61 117.00 124.52 2kot n LEU 56 Ca 0.30 -1.37 0.03 0.00 -0.00 0.00 0.00 56.01 54.97 2kot n LEU 56 Cb 0.49 -0.09 0.34 0.00 -0.00 0.00 0.00 43.42 44.15 2kot n LEU 56 CO 0.59 0.52 0.68 -2.24 -0.00 0.00 0.00 177.39 176.94 2kot h ASP 57 N 2.36 0.00 -0.89 1.96 3.04 -1.97 -0.34 116.42 120.58 2kot h ASP 57 Ca 0.00 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.77 2kot h ASP 57 Cb 0.60 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.85 2kot h ASP 57 CO 0.00 0.41 0.47 -0.08 -2.04 0.00 0.00 179.24 178.01 2kot h GLU 58 N 0.00 1.26 0.08 4.15 4.81 -2.00 -1.97 114.58 120.90 2kot h GLU 58 Ca -0.00 -0.16 -0.31 0.00 -0.13 0.00 0.00 59.36 58.75 2kot h GLU 58 Cb 0.78 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2kot h GLU 58 CO 0.05 0.93 -1.70 0.87 -0.73 0.00 0.00 179.01 178.43 2kot h LYS 59 N 1.26 0.16 -0.77 1.92 6.56 -1.88 -3.36 116.57 120.46 2kot h LYS 59 Ca 0.31 -0.28 0.06 0.00 -1.06 0.00 0.00 60.65 59.68 2kot h LYS 59 Cb 0.05 0.10 -0.05 0.00 -0.57 0.00 0.00 32.23 31.77 2kot h LYS 59 CO -0.05 0.93 0.51 1.98 -2.06 0.00 0.00 179.45 180.76 2kot h MET 60 N 0.04 0.82 -0.22 3.15 4.05 -0.96 -0.58 114.93 121.23 2kot h MET 60 Ca -0.30 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.00 2kot h MET 60 Cb 2.01 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 32.61 2kot h MET 60 CO 0.11 0.54 -0.17 0.87 0.23 0.00 0.00 176.91 178.49 2kot h LYS 61 N 0.84 0.39 0.00 0.39 1.79 -1.51 -1.31 116.57 117.15 2kot h LYS 61 Ca 0.33 -0.12 -0.14 0.00 -2.18 0.00 0.00 60.65 58.54 2kot h LYS 61 Cb 0.22 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2kot h LYS 61 CO -0.11 0.55 -0.67 0.77 -1.08 0.00 0.00 179.45 178.92 2kot h SER 62 N 0.36 0.00 0.29 0.86 0.02 -1.33 -3.35 113.55 110.40 2kot h SER 62 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2kot h SER 62 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2kot h SER 62 CO 0.03 0.67 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.18 2kot h LEU 63 N 0.00 -0.33 -6.32 5.07 3.38 -0.72 -3.37 115.31 113.03 2kot h LEU 63 Ca -0.01 0.01 -0.73 0.00 0.09 0.00 0.00 57.88 57.25 2kot h LEU 63 Cb 1.29 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 2kot h LEU 63 CO 0.09 0.04 2.61 -0.67 0.09 0.00 0.00 178.44 180.60 2kot n ASP 64 N -4.57 4.43 0.11 -0.43 2.03 -0.54 -4.38 116.55 113.20 2kot n ASP 64 Ca -0.05 -2.95 0.12 0.00 0.52 0.00 0.00 54.79 52.43 2kot n ASP 64 Cb 0.15 -1.59 0.03 0.00 -0.72 0.00 0.00 41.12 38.99 2kot n ASP 64 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2kot h VAL 65 N 4.00 0.00 0.00 5.18 3.04 -1.73 -3.34 116.25 123.40 2kot h VAL 65 Ca 0.49 -0.93 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2kot h VAL 65 Cb 0.65 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 2kot h VAL 65 CO 1.75 0.00 -0.35 -3.20 -1.01 0.00 0.00 177.57 174.76 2kot n ASN 66 N -2.63 0.70 -3.44 3.17 5.15 -1.26 -4.98 115.26 111.96 2kot n ASN 66 Ca 0.01 0.29 -0.17 0.00 -0.60 0.00 0.00 54.58 54.11 2kot n ASN 66 Cb 0.53 -0.23 0.08 0.00 -0.53 0.00 0.00 39.78 39.63 2kot n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kot n GLN 67 N -2.11 -5.73 -0.01 1.20 3.00 -1.26 -4.95 117.38 107.52 2kot n GLN 67 Ca 0.04 0.82 0.02 0.00 -0.01 0.00 0.00 57.00 57.87 2kot n GLN 67 Cb 0.43 -5.76 0.02 0.00 0.00 0.00 0.00 30.24 24.93 2kot n GLN 67 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2kot n ASP 68 N -3.13 1.48 -1.66 1.08 -0.08 -1.26 -5.00 116.55 107.97 2kot n ASP 68 Ca -0.26 -1.32 -0.17 0.00 -1.51 0.00 0.00 54.79 51.53 2kot n ASP 68 Cb 0.66 -0.01 -0.03 0.00 2.34 0.00 0.00 41.12 44.08 2kot n ASP 68 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2kot n SER 69 N 0.08 -4.99 -3.74 1.67 2.88 -1.26 -5.00 113.62 103.27 2kot n SER 69 Ca 0.02 0.16 -0.16 0.00 -1.33 0.00 0.00 58.87 57.56 2kot n SER 69 Cb 0.13 -4.04 -0.16 0.00 -0.75 0.00 0.00 64.21 59.38 2kot n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kot s GLU 70 N -4.27 -0.03 -1.11 -1.46 2.02 -1.26 -4.62 118.70 107.97 2kot s GLU 70 Ca 0.00 0.28 -0.05 0.00 0.02 0.00 0.00 54.97 55.22 2kot s GLU 70 Cb 0.00 -0.31 0.29 0.00 0.10 0.00 0.00 34.13 34.21 2kot s GLU 70 CO 0.00 -0.22 1.56 1.28 0.02 0.00 0.00 175.26 177.90 2kot n LEU 71 N 4.54 6.51 -4.73 1.80 4.32 -0.10 -4.88 117.00 124.45 2kot n LEU 71 Ca -0.20 -5.14 -0.31 0.00 -0.02 0.00 0.00 56.01 50.33 2kot n LEU 71 Cb 0.50 -1.30 0.12 0.00 -1.62 0.00 0.00 43.42 41.12 2kot n LEU 71 CO 0.17 1.66 0.70 -0.75 -1.22 0.00 0.00 177.39 177.95 2kot s LYS 72 N -2.39 1.81 0.51 3.23 2.20 -1.26 -1.52 119.74 122.32 2kot s LYS 72 Ca 0.32 1.38 0.22 0.00 -0.36 0.00 0.00 55.97 57.53 2kot s LYS 72 Cb 0.06 -1.83 1.32 0.00 -1.51 0.00 0.00 37.83 35.87 2kot s LYS 72 CO 0.09 -2.01 2.02 0.35 -0.36 0.00 0.00 175.35 175.44 2kot h PHE 73 N -1.26 0.07 -0.10 4.03 3.04 -1.95 1.06 116.94 121.83 2kot h PHE 73 Ca -0.44 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.39 2kot h PHE 73 Cb 1.25 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.73 2kot h PHE 73 CO 0.54 0.03 -0.49 -0.97 -2.02 0.00 0.00 178.31 175.40 2kot h ASN 74 N 0.06 0.29 0.30 0.41 -0.73 -1.93 -1.91 115.58 112.07 2kot h ASN 74 Ca 0.21 -0.14 -0.33 0.00 1.87 0.00 0.00 56.30 57.92 2kot h ASN 74 Cb 0.77 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 39.25 2kot h ASN 74 CO -0.02 0.73 -1.86 -0.62 -0.37 0.00 0.00 177.43 175.29 2kot n GLU 75 N -3.96 0.70 0.00 6.67 4.71 -0.16 -4.13 120.64 124.46 2kot n GLU 75 Ca -0.02 0.28 0.15 0.00 -0.01 0.00 0.00 57.16 57.56 2kot n GLU 75 Cb 0.54 -1.75 0.83 0.00 -1.01 0.00 0.00 31.44 30.05 2kot n GLU 75 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 2kot n TYR 76 N -3.27 0.00 0.30 -0.32 9.36 0.35 -3.89 117.16 119.69 2kot n TYR 76 Ca -0.25 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.16 2kot n TYR 76 Cb 1.05 -0.12 0.94 0.00 -0.63 0.00 0.00 39.34 40.58 2kot n TYR 76 CO 0.00 0.00 0.00 2.35 0.22 0.00 0.00 176.86 179.43 2kot h TRP 77 N 0.00 0.00 -0.12 2.98 7.01 -1.50 -2.61 115.95 121.72 2kot h TRP 77 Ca 0.00 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.93 2kot h TRP 77 Cb 0.11 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 2kot h TRP 77 CO 0.00 0.03 -0.26 0.00 -2.79 0.00 0.00 178.44 175.42 2kot h ARG 78 N 0.00 0.21 0.00 2.65 2.47 -1.87 -2.60 114.38 115.23 2kot h ARG 78 Ca -0.00 -0.07 -0.21 0.00 -1.26 0.00 0.00 59.98 58.45 2kot h ARG 78 Cb 0.24 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 2kot h ARG 78 CO 0.00 0.46 -1.04 1.25 0.56 0.00 0.00 179.97 181.20 2kot h LEU 79 N 0.19 0.00 -0.82 3.04 5.85 -1.77 -3.08 115.31 118.71 2kot h LEU 79 Ca 0.03 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 2kot h LEU 79 Cb 0.56 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2kot h LEU 79 CO 0.04 0.92 0.12 0.40 -0.34 0.00 0.00 178.44 179.59 2kot h ILE 80 N 0.00 1.25 -0.40 4.05 1.08 -1.48 0.42 117.51 122.43 2kot h ILE 80 Ca -0.05 -0.96 -0.12 0.00 -0.39 0.00 0.00 64.86 63.34 2kot h ILE 80 Cb 1.75 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 36.12 2kot h ILE 80 CO 0.11 0.36 -0.22 1.23 -0.69 0.00 0.00 178.15 178.94 2kot h GLY 81 N 1.04 0.87 2.00 5.37 0.00 -1.53 -2.87 103.07 107.95 2kot h GLY 81 Ca 0.20 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 2kot h GLY 81 CO 0.01 0.68 -0.28 0.83 0.00 0.00 0.00 176.54 177.78 2kot h GLU 82 N 0.70 0.00 0.19 4.80 4.39 -1.39 -2.55 114.58 120.73 2kot h GLU 82 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2kot h GLU 82 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2kot h GLU 82 CO 0.06 0.28 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.02 2kot h LEU 83 N 0.00 -0.22 -0.40 1.33 4.07 0.05 -1.21 115.31 118.94 2kot h LEU 83 Ca -0.00 -0.15 -0.18 0.00 0.08 0.00 0.00 57.88 57.63 2kot h LEU 83 Cb 1.05 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 2kot h LEU 83 CO 0.04 0.03 -0.80 0.00 -1.08 0.00 0.00 178.44 176.63 2kot h ALA 84 N 0.31 0.64 0.00 1.53 0.00 -1.61 -3.24 119.26 116.90 2kot h ALA 84 Ca -0.03 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 2kot h ALA 84 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kot h ALA 84 CO 0.04 0.89 -0.40 -0.22 0.00 0.00 0.00 179.25 179.56 2kot h LYS 85 N 0.09 0.00 -1.01 0.00 3.64 -1.48 -3.28 116.57 114.53 2kot h LYS 85 Ca -0.03 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.79 2kot h LYS 85 Cb 1.39 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.91 2kot h LYS 85 CO 0.12 0.40 0.72 0.39 -2.27 0.00 0.00 179.45 178.80 2kot n GLU 86 N -3.38 2.36 -0.07 1.90 -0.58 -0.46 -3.69 120.64 116.73 2kot n GLU 86 Ca 0.01 -3.02 -0.09 0.00 -0.42 0.00 0.00 57.16 53.63 2kot n GLU 86 Cb 0.59 -2.19 -0.06 0.00 -0.57 0.00 0.00 31.44 29.21 2kot n GLU 86 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 2kot n ILE 87 N -1.02 0.77 -0.06 -3.67 0.00 -1.24 -4.39 119.36 109.76 2kot n ILE 87 Ca 0.59 -0.30 -0.04 0.00 0.00 0.00 0.00 62.75 63.01 2kot n ILE 87 Cb 1.31 -0.97 -0.11 0.00 0.00 0.00 0.00 39.64 39.86 2kot n ILE 87 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2kot n ARG 88 N -2.88 1.43 -2.53 9.51 0.00 -1.26 -4.72 116.66 116.20 2kot n ARG 88 Ca -0.24 -0.03 -0.14 0.00 -0.00 0.00 0.00 57.85 57.44 2kot n ARG 88 Cb 0.75 -1.37 0.03 0.00 -0.00 0.00 0.00 32.46 31.87 2kot n ARG 88 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2kot n LYS 89 N -2.43 2.35 -0.19 2.89 2.85 -1.24 -4.84 118.16 117.55 2kot n LYS 89 Ca -0.19 -3.81 -0.03 0.00 -1.05 0.00 0.00 58.31 53.22 2kot n LYS 89 Cb 0.86 -1.79 0.16 0.00 -0.65 0.00 0.00 35.03 33.60 2kot n LYS 89 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 2kot h LYS 90 N 2.63 0.97 -2.14 -1.58 -0.00 -1.77 -3.29 116.57 111.40 2kot h LYS 90 Ca 0.08 -0.17 -0.58 0.00 -0.00 0.00 0.00 60.65 59.99 2kot h LYS 90 Cb 1.21 -0.16 -0.41 0.00 -0.00 0.00 0.00 32.23 32.87 2kot h LYS 90 CO 0.56 0.81 -0.80 1.63 -0.00 0.00 0.00 179.45 181.65 2kot n LYS 91 N -4.29 2.01 -1.96 0.07 5.02 -1.26 -4.95 118.16 112.79 2kot n LYS 91 Ca 0.06 -4.19 -0.37 0.00 -2.02 0.00 0.00 58.31 51.78 2kot n LYS 91 Cb 0.19 -1.92 -0.04 0.00 -0.02 0.00 0.00 35.03 33.24 2kot n LYS 91 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2kot n ASP 92 N 0.76 3.56 0.03 4.39 5.75 -1.24 -3.36 116.55 126.45 2kot n ASP 92 Ca 0.27 -2.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 2kot n ASP 92 Cb 0.46 -1.60 0.00 0.00 -1.03 0.00 0.00 41.12 38.96 2kot n ASP 92 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2kot n LEU 93 N 10.20 -0.61 -0.14 -2.12 7.94 -1.26 -5.01 117.00 126.00 2kot n LEU 93 Ca 0.48 0.17 -0.30 0.00 -1.11 0.00 0.00 56.01 55.26 2kot n LEU 93 Cb 0.44 0.84 -0.10 0.00 0.53 0.00 0.00 43.42 45.13 2kot n LEU 93 CO 0.81 -0.19 -1.45 1.17 -1.11 0.00 0.00 177.39 176.63 2kot n LYS 94 N -2.52 0.58 -4.37 1.96 3.00 -1.23 -5.00 118.16 110.58 2kot n LYS 94 Ca 0.00 0.26 -0.34 0.00 -0.00 0.00 0.00 58.31 58.22 2kot n LYS 94 Cb 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 35.03 33.46 2kot n LYS 94 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2kot s ILE 95 N -2.50 4.25 -0.27 3.15 -4.36 -1.21 -5.02 121.20 115.23 2kot s ILE 95 Ca -0.38 -0.33 0.13 0.00 -0.26 0.00 0.00 60.65 59.80 2kot s ILE 95 Cb 0.15 -2.81 0.37 0.00 1.25 0.00 0.00 42.46 41.42 2kot s ILE 95 CO 0.48 0.55 1.38 -2.11 0.24 0.00 0.00 174.94 175.49 2kot n ARG 96 N 1.98 1.19 -3.16 0.37 1.85 -1.26 -4.35 116.66 113.28 2kot n ARG 96 Ca -0.18 -1.61 0.02 0.00 -1.00 0.00 0.00 57.85 55.09 2kot n ARG 96 Cb 0.53 0.07 -0.01 0.00 -1.05 0.00 0.00 32.46 32.01 2kot n ARG 96 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2kot s LYS 97 N -0.58 0.66 0.00 2.89 -2.85 -1.26 -5.14 119.74 113.46 2kot s LYS 97 Ca 0.12 0.06 0.00 0.00 -1.00 0.00 0.00 55.97 55.15 2kot s LYS 97 Cb 0.36 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 2kot s LYS 97 CO -0.10 -1.05 0.12 1.17 0.10 0.00 0.00 175.35 175.60