#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 3.90 -0.22 3.17 0.00 -1.26 -5.01 121.76 122.34 2kot s ALA 2 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 2kot s ALA 2 Cb 0.00 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2kot s ALA 2 CO 0.00 0.74 0.58 0.00 0.00 0.00 0.00 175.76 177.08 2kot s ALA 3 N -1.56 3.57 -0.09 0.00 0.00 -1.26 -5.07 121.76 117.34 2kot s ALA 3 Ca 0.37 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.96 2kot s ALA 3 Cb -0.13 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 2kot s ALA 3 CO 0.25 -0.61 -0.18 -2.00 0.00 0.00 0.00 175.76 173.22 2kot s GLU 4 N 2.03 2.96 0.42 0.00 2.12 -1.26 -4.88 118.70 120.08 2kot s GLU 4 Ca 0.26 -0.78 -0.27 0.00 0.36 0.00 0.00 54.97 54.54 2kot s GLU 4 Cb -0.16 -2.41 -0.09 0.00 0.26 0.00 0.00 34.13 31.73 2kot s GLU 4 CO 0.09 0.32 1.45 -1.25 -0.54 0.00 0.00 175.26 175.33 2kot s PRO 5 N 0.04 3.89 0.00 4.30 0.04 -1.26 -4.98 135.00 137.02 2kot s PRO 5 Ca -0.07 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2kot s PRO 5 Cb -0.15 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2kot s PRO 5 CO 0.05 -0.68 0.00 1.28 0.04 0.00 0.00 177.00 177.69 2kot n LEU 6 N 0.11 0.00 -4.96 -3.56 4.77 -1.26 -5.04 117.00 107.06 2kot n LEU 6 Ca 0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 2kot n LEU 6 Cb 0.41 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2kot n LEU 6 CO 0.61 0.00 0.16 -0.89 -1.33 0.00 0.00 177.39 175.94 2kot s THR 7 N 0.78 4.51 0.27 -5.08 2.01 -1.26 -4.85 115.64 112.02 2kot s THR 7 Ca 0.00 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.35 2kot s THR 7 Cb 0.00 -3.63 0.25 0.00 0.01 0.00 0.00 72.50 69.13 2kot s THR 7 CO 0.00 -0.37 1.76 -0.08 -0.69 0.00 0.00 174.62 175.25 2kot h GLU 8 N 0.70 0.62 0.07 4.92 4.81 -2.01 0.75 114.58 124.44 2kot h GLU 8 Ca -0.48 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 58.43 2kot h GLU 8 Cb 1.24 -0.14 0.03 0.00 0.63 0.00 0.00 28.75 30.51 2kot h GLU 8 CO 0.58 0.41 -1.14 -0.07 -0.73 0.00 0.00 179.01 178.06 2kot h LEU 9 N 0.64 0.88 -1.01 1.64 3.38 -2.01 -3.08 115.31 115.75 2kot h LEU 9 Ca 0.48 -0.79 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2kot h LEU 9 Cb 0.69 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2kot h LEU 9 CO -0.37 1.57 -0.36 -0.33 0.09 0.00 0.00 178.44 179.04 2kot h GLU 10 N 0.30 0.00 0.00 1.13 5.08 -1.82 -3.07 114.58 116.19 2kot h GLU 10 Ca -0.16 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 2kot h GLU 10 Cb 1.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 2kot h GLU 10 CO 0.22 0.36 -0.41 1.49 -1.00 0.00 0.00 179.01 179.67 2kot h GLU 11 N 0.00 0.00 0.43 2.33 4.81 0.45 -3.10 114.58 119.49 2kot h GLU 11 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2kot h GLU 11 Cb 0.85 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2kot h GLU 11 CO 0.05 0.41 -0.38 0.77 -0.73 0.00 0.00 179.01 179.13 2kot h SER 12 N 0.00 -1.00 1.11 1.04 0.02 -1.44 -0.24 113.55 113.05 2kot h SER 12 Ca -0.00 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2kot h SER 12 Cb 1.20 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 64.06 2kot h SER 12 CO 0.05 -0.54 -0.08 0.16 -1.14 0.00 0.00 176.83 175.29 2kot h ILE 13 N -0.81 0.19 -0.40 3.27 -0.00 -1.72 -3.11 117.51 114.93 2kot h ILE 13 Ca -0.04 -0.79 -0.11 0.00 -0.00 0.00 0.00 64.86 63.92 2kot h ILE 13 Cb 0.71 1.67 -0.01 0.00 -0.00 0.00 0.00 36.82 39.18 2kot h ILE 13 CO -0.03 0.08 -0.19 -0.08 -0.00 0.00 0.00 178.15 177.92 2kot h GLU 14 N 0.00 0.84 -0.20 0.16 4.22 -1.36 -3.07 114.58 115.16 2kot h GLU 14 Ca -0.00 -0.37 -0.08 0.00 0.08 0.00 0.00 59.36 58.99 2kot h GLU 14 Cb 0.66 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2kot h GLU 14 CO 0.01 1.00 -0.23 1.15 -2.18 0.00 0.00 179.01 178.77 2kot h THR 15 N 0.65 1.24 -0.36 0.32 2.02 -0.99 -2.70 112.91 113.10 2kot h THR 15 Ca 0.09 -1.14 0.03 0.00 0.77 0.00 0.00 66.41 66.16 2kot h THR 15 Cb 0.75 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2kot h THR 15 CO 0.06 0.36 0.24 0.58 0.37 0.00 0.00 175.52 177.13 2kot h VAL 16 N 0.32 1.03 0.22 3.16 2.07 -1.53 -1.32 116.25 120.19 2kot h VAL 16 Ca 0.05 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2kot h VAL 16 Cb 0.58 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2kot h VAL 16 CO 0.04 0.07 -0.10 0.58 0.02 0.00 0.00 177.57 178.18 2kot h VAL 17 N 0.38 0.00 -0.70 2.57 2.07 -1.48 -3.28 116.25 115.81 2kot h VAL 17 Ca 0.15 -0.79 0.12 0.00 0.82 0.00 0.00 66.70 67.00 2kot h VAL 17 Cb 0.11 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 2kot h VAL 17 CO -0.03 0.00 0.46 0.71 0.02 0.00 0.00 177.57 178.73 2kot h THR 18 N -1.08 0.86 -0.21 2.57 1.35 -1.44 0.18 112.91 115.15 2kot h THR 18 Ca -0.03 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.63 2kot h THR 18 Cb 0.22 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 2kot h THR 18 CO 0.05 0.09 -0.02 0.74 -0.25 0.00 0.00 175.52 176.13 2kot h THR 19 N 0.47 1.27 -0.45 6.82 2.02 -1.39 -3.31 112.91 118.33 2kot h THR 19 Ca 0.33 -0.94 -0.24 0.00 0.77 0.00 0.00 66.41 66.32 2kot h THR 19 Cb 0.65 1.47 -0.15 0.00 -1.74 0.00 0.00 68.15 68.38 2kot h THR 19 CO -0.11 0.29 -0.00 0.33 0.37 0.00 0.00 175.52 176.40 2kot n PHE 20 N -4.65 1.42 0.08 3.16 7.35 -1.00 -4.62 117.46 119.19 2kot n PHE 20 Ca -0.04 -1.70 -0.16 0.00 -0.76 0.00 0.00 57.45 54.79 2kot n PHE 20 Cb 0.25 -0.57 -0.14 0.00 0.35 0.00 0.00 39.48 39.37 2kot n PHE 20 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 2kot h PHE 21 N 1.05 0.45 -0.24 -5.13 3.57 -1.05 -2.59 116.94 113.00 2kot h PHE 21 Ca 0.29 -0.33 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 2kot h PHE 21 Cb 1.79 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 2kot h PHE 21 CO 1.12 1.31 -0.25 1.15 -2.23 0.00 0.00 178.31 179.42 2kot h THR 22 N 0.07 1.26 0.07 4.41 2.02 -1.82 -1.90 112.91 117.02 2kot h THR 22 Ca -0.19 -1.25 -0.28 0.00 0.77 0.00 0.00 66.41 65.47 2kot h THR 22 Cb 1.99 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 2kot h THR 22 CO 0.18 0.39 -1.40 -0.26 0.37 0.00 0.00 175.52 174.80 2kot h PHE 23 N 0.40 0.27 -0.01 3.16 0.04 -1.88 -3.34 116.94 115.58 2kot h PHE 23 Ca 0.06 -0.20 -0.12 0.00 2.80 0.00 0.00 57.97 60.51 2kot h PHE 23 Cb 0.65 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 2kot h PHE 23 CO 0.02 1.22 -0.58 0.00 -0.60 0.00 0.00 178.31 178.37 2kot h ALA 24 N 0.71 1.03 0.00 2.45 0.00 -1.39 -3.14 119.26 118.91 2kot h ALA 24 Ca -0.18 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2kot h ALA 24 Cb 1.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2kot h ALA 24 CO 0.14 0.72 0.00 2.89 0.00 0.00 0.00 179.25 183.00 2kot n ARG 25 N -3.86 0.18 -0.06 0.00 1.85 -0.72 -3.70 116.66 110.35 2kot n ARG 25 Ca -0.01 0.19 -0.03 0.00 -1.00 0.00 0.00 57.85 57.00 2kot n ARG 25 Cb 0.58 -1.73 0.21 0.00 -1.05 0.00 0.00 32.46 30.48 2kot n ARG 25 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2kot h GLN 26 N 0.00 0.67 0.00 2.89 4.15 -1.66 -3.45 115.11 117.72 2kot h GLN 26 Ca 0.00 -0.17 -0.44 0.00 0.77 0.00 0.00 58.65 58.81 2kot h GLN 26 Cb 0.62 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 2kot h GLN 26 CO 0.00 0.70 -0.16 0.39 -1.93 0.00 0.00 178.83 177.83 2kot n GLU 27 N -4.23 0.79 -1.32 1.69 -0.58 -1.24 -5.05 120.64 110.70 2kot n GLU 27 Ca 0.02 -2.66 -0.52 0.00 -0.42 0.00 0.00 57.16 53.58 2kot n GLU 27 Cb 0.29 0.13 -0.07 0.00 -0.57 0.00 0.00 31.44 31.21 2kot n GLU 27 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kot n GLY 28 N -0.42 -0.07 1.32 0.62 0.00 -1.26 -4.58 105.19 100.80 2kot n GLY 28 Ca 0.03 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 2.11 -3.78 -0.03 1.61 3.00 -1.26 -4.59 116.66 113.71 2kot n ARG 29 Ca 0.20 2.82 -0.16 0.00 -0.01 0.00 0.00 57.85 60.70 2kot n ARG 29 Cb 0.02 -3.19 -0.08 0.00 0.00 0.00 0.00 32.46 29.21 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 1.32 0.58 -2.04 5.56 1.79 -1.83 -3.30 116.57 118.65 2kot h LYS 30 Ca 0.00 -0.46 -0.62 0.00 -2.18 0.00 0.00 60.65 57.39 2kot h LYS 30 Cb 0.03 0.09 -0.21 0.00 -1.58 0.00 0.00 32.23 30.56 2kot h LYS 30 CO 0.00 1.09 0.75 -0.25 -1.08 0.00 0.00 179.45 179.96 2kot n ASP 31 N -4.18 6.95 -3.65 0.86 9.92 -1.26 -3.89 116.55 121.30 2kot n ASP 31 Ca -0.08 -3.44 -0.08 0.00 -0.53 0.00 0.00 54.79 50.67 2kot n ASP 31 Cb 0.62 -1.18 -0.07 0.00 -0.64 0.00 0.00 41.12 39.85 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 -0.20 -0.89 0.70 -2.24 0.15 -1.24 -4.10 113.70 105.88 2kot s SER 32 Ca 0.56 1.45 -0.08 0.00 0.70 0.00 0.00 55.95 58.58 2kot s SER 32 Cb 0.39 1.33 0.05 0.00 -1.71 0.00 0.00 66.02 66.08 2kot s SER 32 CO -0.28 -0.24 1.02 -0.76 1.20 0.00 0.00 173.24 174.18 2kot s LEU 33 N 1.49 2.86 0.35 3.45 1.02 -0.20 -4.50 118.68 123.15 2kot s LEU 33 Ca -0.09 0.61 0.07 0.00 0.02 0.00 0.00 54.13 54.74 2kot s LEU 33 Cb -0.05 -3.29 -0.01 0.00 0.02 0.00 0.00 46.19 42.86 2kot s LEU 33 CO -0.17 -1.51 0.43 -0.55 0.02 0.00 0.00 176.35 174.57 2kot s SER 34 N -4.47 5.69 0.38 2.29 0.15 -1.26 -0.38 113.70 116.09 2kot s SER 34 Ca 0.59 -0.34 0.20 0.00 0.70 0.00 0.00 55.95 57.10 2kot s SER 34 Cb -0.11 -1.03 0.54 0.00 -1.71 0.00 0.00 66.02 63.71 2kot s SER 34 CO 0.46 -0.48 1.66 1.62 1.20 0.00 0.00 173.24 177.71 2kot h VAL 35 N 0.95 0.65 0.01 4.45 3.04 -1.98 -2.97 116.25 120.40 2kot h VAL 35 Ca -0.44 -1.55 -0.37 0.00 -1.01 0.00 0.00 66.70 63.33 2kot h VAL 35 Cb 1.26 2.04 -0.07 0.00 -2.01 0.00 0.00 31.29 32.51 2kot h VAL 35 CO 0.53 0.32 -2.32 -3.20 -1.01 0.00 0.00 177.57 171.89 2kot n ASN 36 N -3.32 0.66 0.09 3.17 5.15 -1.26 -4.29 115.26 115.46 2kot n ASN 36 Ca 0.01 0.02 -0.06 0.00 -0.60 0.00 0.00 54.58 53.95 2kot n ASN 36 Cb 0.56 0.47 0.03 0.00 -0.53 0.00 0.00 39.78 40.31 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 0.00 0.11 -0.20 1.20 5.08 -1.98 -3.17 114.58 115.63 2kot h GLU 37 Ca -0.52 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 57.58 2kot h GLU 37 Cb 2.13 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 2kot h GLU 37 CO 0.01 0.85 -0.47 0.27 -1.00 0.00 0.00 179.01 178.67 2kot h PHE 38 N 0.07 0.62 -0.53 4.33 -0.00 -1.75 -3.06 116.94 116.62 2kot h PHE 38 Ca -0.02 -0.20 -0.06 0.00 -0.00 0.00 0.00 57.97 57.69 2kot h PHE 38 Cb 1.41 -0.13 -0.02 0.00 -0.00 0.00 0.00 35.95 37.21 2kot h PHE 38 CO 0.02 0.89 0.09 -0.22 -0.00 0.00 0.00 178.31 179.08 2kot h LYS 39 N 0.41 0.83 -0.11 6.09 3.64 -1.74 -2.58 116.57 123.12 2kot h LYS 39 Ca 0.02 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 2kot h LYS 39 Cb 0.98 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2kot h LYS 39 CO 0.09 0.78 -0.31 0.93 -2.27 0.00 0.00 179.45 178.67 2kot h GLU 40 N 0.79 0.20 -0.08 1.90 5.08 -1.52 -2.84 114.58 118.12 2kot h GLU 40 Ca 0.17 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2kot h GLU 40 Cb 0.35 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2kot h GLU 40 CO 0.01 0.49 -0.56 1.25 -1.00 0.00 0.00 179.01 179.20 2kot h LEU 41 N 0.18 0.26 -0.25 1.33 5.85 -1.37 -2.24 115.31 119.07 2kot h LEU 41 Ca 0.02 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 2kot h LEU 41 Cb 0.64 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2kot h LEU 41 CO 0.05 0.77 -0.72 0.58 -0.34 0.00 0.00 178.44 178.77 2kot h VAL 42 N 0.18 1.34 -0.22 1.05 2.07 -1.37 0.20 116.25 119.49 2kot h VAL 42 Ca -0.00 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.88 2kot h VAL 42 Cb 1.05 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 2kot h VAL 42 CO 0.09 0.71 0.00 0.41 0.02 0.00 0.00 177.57 178.80 2kot n THR 43 N -3.41 0.27 0.09 2.57 -1.04 -1.08 -1.94 114.28 109.72 2kot n THR 43 Ca 0.00 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 2kot n THR 43 Cb 0.78 1.14 0.00 0.00 -1.82 0.00 0.00 70.33 70.43 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 1.33 0.00 0.00 -2.82 7.27 -0.85 -4.83 117.38 117.48 2kot n GLN 44 Ca 0.17 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.34 2kot n GLN 44 Cb 0.58 -0.26 -0.08 0.00 2.41 0.00 0.00 30.24 32.88 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 -3.43 0.70 -2.75 3.69 7.27 -0.97 -4.60 117.38 117.28 2kot n GLN 45 Ca 0.00 -0.25 -0.04 0.00 0.07 0.00 0.00 57.00 56.78 2kot n GLN 45 Cb 0.03 -1.43 0.04 0.00 2.41 0.00 0.00 30.24 31.29 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 -1.10 1.67 0.04 1.69 7.94 0.67 -4.94 117.00 122.97 2kot n LEU 46 Ca 0.05 -3.33 -0.11 0.00 -1.11 0.00 0.00 56.01 51.50 2kot n LEU 46 Cb 0.34 0.43 -0.13 0.00 0.53 0.00 0.00 43.42 44.58 2kot n LEU 46 CO 0.37 1.26 -0.23 1.55 -1.11 0.00 0.00 177.39 179.22 2kot h PRO 47 N 2.73 0.10 -0.16 1.96 0.13 -1.62 -3.33 132.00 131.81 2kot h PRO 47 Ca -0.11 -0.17 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 2kot h PRO 47 Cb 1.24 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2kot h PRO 47 CO 0.31 0.91 -0.33 0.45 -0.23 0.00 0.00 178.00 179.11 2kot h HIS 48 N 0.03 0.38 0.40 1.56 3.86 -1.92 -3.33 115.15 116.13 2kot h HIS 48 Ca -0.18 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 58.92 2kot h HIS 48 Cb 1.93 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 30.32 2kot h HIS 48 CO 0.03 0.63 -0.19 1.25 0.86 0.00 0.00 177.93 180.51 2kot h LEU 49 N 0.29 -0.45 -8.66 2.43 5.85 -1.96 -3.41 115.31 109.39 2kot h LEU 49 Ca 0.04 0.02 -0.60 0.00 0.84 0.00 0.00 57.88 58.17 2kot h LEU 49 Cb 0.73 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.77 2kot h LEU 49 CO 0.06 -0.14 0.55 -0.76 -0.34 0.00 0.00 178.44 177.81 2kot s LEU 50 N -8.06 4.04 0.38 2.25 1.43 -1.25 -4.67 118.68 112.80 2kot s LEU 50 Ca -0.08 0.09 0.13 0.00 -1.03 0.00 0.00 54.13 53.24 2kot s LEU 50 Cb 0.01 -3.16 0.95 0.00 0.03 0.00 0.00 46.19 44.02 2kot s LEU 50 CO 0.23 -1.03 1.84 0.07 0.23 0.00 0.00 176.35 177.70 2kot h LYS 51 N 9.06 0.53 -4.75 1.70 2.10 -1.81 -3.36 116.57 120.03 2kot h LYS 51 Ca -0.24 -0.03 -0.70 0.00 -2.00 0.00 0.00 60.65 57.68 2kot h LYS 51 Cb 1.08 -0.12 -0.19 0.00 -0.90 0.00 0.00 32.23 32.09 2kot h LYS 51 CO 1.02 0.35 0.08 0.34 -2.00 0.00 0.00 179.45 179.24 2kot s ASP 52 N -5.62 6.19 -0.12 7.07 -1.08 -1.26 -4.88 116.67 116.97 2kot s ASP 52 Ca -0.09 -1.29 0.18 0.00 -0.52 0.00 0.00 52.55 50.83 2kot s ASP 52 Cb 0.23 -2.30 -0.25 0.00 -1.46 0.00 0.00 42.92 39.14 2kot s ASP 52 CO 0.79 -1.04 0.29 1.33 0.52 0.00 0.00 175.17 177.06 2kot n VAL 53 N 5.56 1.12 -0.07 1.11 0.24 -1.26 -4.69 118.33 120.33 2kot n VAL 53 Ca -0.09 -0.77 -0.08 0.00 -2.04 0.00 0.00 64.34 61.37 2kot n VAL 53 Cb 0.43 -0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 32.31 2kot n VAL 53 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2kot h GLY 54 N 3.92 0.00 -7.26 7.63 0.00 -1.96 -3.43 103.07 101.97 2kot h GLY 54 Ca -0.38 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.32 2kot h GLY 54 CO 0.03 0.00 1.17 -0.45 0.00 0.00 0.00 176.54 177.29 2kot s SER 55 N -5.96 6.51 0.00 0.19 0.15 -1.26 -4.79 113.70 108.53 2kot s SER 55 Ca -0.15 -1.58 0.19 0.00 0.70 0.00 0.00 55.95 55.10 2kot s SER 55 Cb 0.02 -2.50 0.46 0.00 -1.71 0.00 0.00 66.02 62.29 2kot s SER 55 CO 0.28 -1.36 1.38 0.18 1.20 0.00 0.00 173.24 174.92 2kot n LEU 56 N 7.99 3.41 0.22 3.45 7.99 -1.26 -4.51 117.00 134.29 2kot n LEU 56 Ca 0.26 -1.81 0.07 0.00 -0.01 0.00 0.00 56.01 54.52 2kot n LEU 56 Cb 0.50 -0.33 0.53 0.00 -0.11 0.00 0.00 43.42 44.01 2kot n LEU 56 CO 0.60 0.82 0.86 -2.24 -1.51 0.00 0.00 177.39 175.92 2kot h ASP 57 N 3.54 0.00 -0.18 -1.43 3.04 -1.98 0.33 116.42 119.75 2kot h ASP 57 Ca 0.00 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.75 2kot h ASP 57 Cb 0.88 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.16 2kot h ASP 57 CO 0.00 0.23 0.00 -0.08 -2.04 0.00 0.00 179.24 177.35 2kot h GLU 58 N 0.00 0.42 0.02 4.15 4.81 -2.01 -2.77 114.58 119.21 2kot h GLU 58 Ca -0.00 -0.08 -0.38 0.00 -0.13 0.00 0.00 59.36 58.77 2kot h GLU 58 Cb 0.48 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 2kot h GLU 58 CO 0.03 0.45 -2.38 1.63 -0.73 0.00 0.00 179.01 178.01 2kot n LYS 59 N -4.32 0.67 -0.29 1.92 4.01 -0.96 -4.44 118.16 114.75 2kot n LYS 59 Ca 0.01 0.16 -0.01 0.00 -0.51 0.00 0.00 58.31 57.96 2kot n LYS 59 Cb 0.22 -1.55 0.12 0.00 -0.51 0.00 0.00 35.03 33.30 2kot n LYS 59 CO 0.00 0.00 0.00 1.98 -1.11 0.00 0.00 177.40 178.27 2kot h MET 60 N 0.01 0.92 -0.57 1.97 4.05 -0.40 0.29 114.93 121.21 2kot h MET 60 Ca -0.55 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 58.79 2kot h MET 60 Cb 1.96 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 32.52 2kot h MET 60 CO -0.05 0.61 0.23 0.87 0.23 0.00 0.00 176.91 178.80 2kot h LYS 61 N 0.95 0.82 0.07 0.39 1.79 -1.73 -1.95 116.57 116.91 2kot h LYS 61 Ca 0.34 -0.12 -0.26 0.00 -2.18 0.00 0.00 60.65 58.43 2kot h LYS 61 Cb 0.10 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 2kot h LYS 61 CO -0.15 0.67 -1.24 0.77 -1.08 0.00 0.00 179.45 178.42 2kot h SER 62 N 0.81 0.23 0.53 0.86 0.02 -1.64 -3.38 113.55 110.98 2kot h SER 62 Ca 0.20 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2kot h SER 62 Cb 0.16 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.63 2kot h SER 62 CO -0.02 1.21 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.56 2kot h LEU 63 N 0.04 -0.60 -6.61 5.07 3.38 -0.14 -3.29 115.31 113.16 2kot h LEU 63 Ca -0.12 -0.02 -0.75 0.00 0.09 0.00 0.00 57.88 57.09 2kot h LEU 63 Cb 1.91 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 42.68 2kot h LEU 63 CO 0.16 -0.36 2.09 -0.67 0.09 0.00 0.00 178.44 179.75 2kot n ASP 64 N -5.36 4.94 0.11 -0.43 2.03 -0.76 -4.38 116.55 112.70 2kot n ASP 64 Ca -0.12 -3.05 0.12 0.00 0.52 0.00 0.00 54.79 52.26 2kot n ASP 64 Cb 0.31 -1.52 0.23 0.00 -0.72 0.00 0.00 41.12 39.42 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 3.96 0.00 -0.00 5.18 3.04 -1.76 -3.31 116.25 123.36 2kot h VAL 65 Ca 0.41 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2kot h VAL 65 Cb 0.67 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2kot h VAL 65 CO 1.60 0.00 -0.50 -3.20 -1.01 0.00 0.00 177.57 174.46 2kot n ASN 66 N -2.43 0.93 -3.46 3.17 5.15 -1.26 -4.98 115.26 112.36 2kot n ASN 66 Ca 0.04 -0.72 -0.25 0.00 -0.60 0.00 0.00 54.58 53.05 2kot n ASN 66 Cb 0.47 0.36 0.05 0.00 -0.53 0.00 0.00 39.78 40.13 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 -1.05 -6.14 0.00 1.20 3.00 -1.25 -4.91 117.38 108.22 2kot n GLN 67 Ca 0.08 0.78 0.03 0.00 -0.01 0.00 0.00 57.00 57.88 2kot n GLN 67 Cb 0.35 -5.71 0.01 0.00 0.00 0.00 0.00 30.24 24.89 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 -2.77 1.23 -1.42 1.08 -0.08 -1.26 -5.01 116.55 108.33 2kot n ASP 68 Ca -0.02 -1.12 -0.16 0.00 -1.51 0.00 0.00 54.79 51.98 2kot n ASP 68 Cb 0.57 0.29 -0.05 0.00 2.34 0.00 0.00 41.12 44.27 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 -0.04 -4.86 -3.96 1.67 2.88 -1.26 -5.00 113.62 103.05 2kot n SER 69 Ca 0.03 0.26 -0.29 0.00 -1.33 0.00 0.00 58.87 57.54 2kot n SER 69 Cb 0.16 -3.84 -0.16 0.00 -0.75 0.00 0.00 64.21 59.62 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 -3.82 1.85 -1.18 -1.46 2.02 -1.26 -4.44 118.70 110.41 2kot s GLU 70 Ca 0.00 -0.66 -0.07 0.00 0.02 0.00 0.00 54.97 54.27 2kot s GLU 70 Cb 0.00 -2.18 0.24 0.00 0.10 0.00 0.00 34.13 32.29 2kot s GLU 70 CO 0.00 -0.39 1.68 1.28 0.02 0.00 0.00 175.26 177.85 2kot n LEU 71 N 4.78 6.56 -4.70 1.80 4.32 0.49 -4.88 117.00 125.36 2kot n LEU 71 Ca -0.14 -4.94 -0.31 0.00 -0.02 0.00 0.00 56.01 50.61 2kot n LEU 71 Cb 0.48 -1.37 0.14 0.00 -1.62 0.00 0.00 43.42 41.04 2kot n LEU 71 CO 0.19 1.54 0.68 -0.75 -1.22 0.00 0.00 177.39 177.83 2kot s LYS 72 N -1.24 1.40 0.61 3.23 2.20 -1.26 -1.03 119.74 123.65 2kot s LYS 72 Ca 0.35 1.27 0.30 0.00 -0.36 0.00 0.00 55.97 57.53 2kot s LYS 72 Cb 0.07 -1.79 1.66 0.00 -1.51 0.00 0.00 37.83 36.26 2kot s LYS 72 CO 0.06 -2.27 2.03 0.35 -0.36 0.00 0.00 175.35 175.15 2kot h PHE 73 N -1.59 0.00 -0.06 4.03 3.04 -1.96 1.03 116.94 121.43 2kot h PHE 73 Ca -0.45 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.30 2kot h PHE 73 Cb 1.26 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.78 2kot h PHE 73 CO 0.51 0.00 -0.73 -0.97 -2.02 0.00 0.00 178.31 175.10 2kot h ASN 74 N 0.00 0.75 0.64 0.41 -0.73 -1.94 -1.92 115.58 112.80 2kot h ASN 74 Ca 0.10 -0.69 -0.23 0.00 1.87 0.00 0.00 56.30 57.34 2kot h ASN 74 Cb 0.68 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 2kot h ASN 74 CO -0.00 1.33 -1.03 -0.33 -0.37 0.00 0.00 177.43 177.03 2kot h GLU 75 N 0.24 0.21 0.00 6.67 3.07 -1.29 -3.21 114.58 120.27 2kot h GLU 75 Ca -0.07 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 2kot h GLU 75 Cb 1.39 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.40 2kot h GLU 75 CO 0.15 1.07 0.00 0.98 -1.40 0.00 0.00 179.01 179.81 2kot n TYR 76 N -3.57 0.20 -0.35 4.33 9.36 0.34 -4.02 117.16 123.45 2kot n TYR 76 Ca -0.05 0.07 0.25 0.00 3.32 0.00 0.00 57.90 61.49 2kot n TYR 76 Cb 0.91 -0.61 0.51 0.00 -0.63 0.00 0.00 39.34 39.52 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 0.71 -0.78 2.98 7.01 -1.35 -2.25 115.95 122.28 2kot h TRP 77 Ca 0.00 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.05 2kot h TRP 77 Cb 0.43 -0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.25 2kot h TRP 77 CO 0.00 -0.02 0.50 0.00 -2.79 0.00 0.00 178.44 176.14 2kot h ARG 78 N 0.35 0.96 0.00 2.65 2.47 -1.84 -2.58 114.38 116.40 2kot h ARG 78 Ca 0.66 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 59.25 2kot h ARG 78 Cb 1.68 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 29.78 2kot h ARG 78 CO -0.38 0.63 -0.36 1.25 0.56 0.00 0.00 179.97 181.67 2kot h LEU 79 N 0.99 0.00 -0.56 3.04 5.85 -1.72 -3.27 115.31 119.63 2kot h LEU 79 Ca 0.31 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.90 2kot h LEU 79 Cb -0.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2kot h LEU 79 CO -0.10 0.36 -0.25 0.40 -0.34 0.00 0.00 178.44 178.51 2kot h ILE 80 N 0.00 1.27 -0.40 4.05 1.08 -1.35 -0.29 117.51 121.88 2kot h ILE 80 Ca -0.00 -1.40 -0.08 0.00 -0.39 0.00 0.00 64.86 62.99 2kot h ILE 80 Cb 1.20 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 36.13 2kot h ILE 80 CO 0.05 0.47 -0.07 1.23 -0.69 0.00 0.00 178.15 179.14 2kot h GLY 81 N 0.91 0.82 2.00 5.37 0.00 -1.57 -2.95 103.07 107.64 2kot h GLY 81 Ca 0.10 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 2kot h GLY 81 CO 0.07 0.60 -0.36 0.83 0.00 0.00 0.00 176.54 177.68 2kot h GLU 82 N 0.57 0.00 0.24 4.80 4.39 -1.60 -2.60 114.58 120.39 2kot h GLU 82 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2kot h GLU 82 Cb 0.58 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2kot h GLU 82 CO 0.03 0.36 -0.15 1.25 -1.16 0.00 0.00 179.01 179.34 2kot h LEU 83 N 0.00 -0.37 0.00 1.33 5.85 -0.87 -1.84 115.31 119.41 2kot h LEU 83 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2kot h LEU 83 Cb 0.86 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2kot h LEU 83 CO 0.05 -0.24 -0.26 0.00 -0.34 0.00 0.00 178.44 177.65 2kot h ALA 84 N 0.37 0.84 0.25 1.25 0.00 -1.59 -3.27 119.26 117.12 2kot h ALA 84 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 2kot h ALA 84 Cb 0.32 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.14 2kot h ALA 84 CO 0.02 0.00 -1.50 -0.22 0.00 0.00 0.00 179.25 177.55 2kot h LYS 85 N 0.00 0.53 0.00 0.00 3.64 -1.38 -3.34 116.57 116.02 2kot h LYS 85 Ca 0.00 -0.91 0.00 0.00 -1.27 0.00 0.00 60.65 58.47 2kot h LYS 85 Cb 0.82 0.34 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2kot h LYS 85 CO 0.00 1.44 0.00 0.93 -2.27 0.00 0.00 179.45 179.55 2kot h GLU 86 N 0.14 0.00 -0.92 1.90 5.08 -1.45 -3.14 114.58 116.19 2kot h GLU 86 Ca -0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2kot h GLU 86 Cb 2.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.37 2kot h GLU 86 CO 0.27 0.00 0.54 0.97 -1.00 0.00 0.00 179.01 179.79 2kot h ILE 87 N 0.00 1.25 0.05 3.13 -0.00 -1.68 -2.82 117.51 117.44 2kot h ILE 87 Ca 0.00 -0.57 -0.35 0.00 -0.00 0.00 0.00 64.86 63.94 2kot h ILE 87 Cb 0.82 -0.02 -0.04 0.00 -0.00 0.00 0.00 36.82 37.58 2kot h ILE 87 CO 0.00 0.27 -2.04 -2.11 -0.00 0.00 0.00 178.15 174.27 2kot n ARG 88 N -4.37 0.69 -3.34 2.19 1.85 -1.25 -4.84 116.66 107.59 2kot n ARG 88 Ca 0.10 0.22 -0.14 0.00 -1.00 0.00 0.00 57.85 57.03 2kot n ARG 88 Cb 0.07 -1.68 -0.07 0.00 -1.05 0.00 0.00 32.46 29.73 2kot n ARG 88 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2kot s LYS 89 N -2.56 0.61 0.03 2.89 -2.85 -1.18 -4.78 119.74 111.90 2kot s LYS 89 Ca -0.17 -0.63 -0.01 0.00 -1.00 0.00 0.00 55.97 54.16 2kot s LYS 89 Cb 0.07 -0.58 -0.27 0.00 -2.06 0.00 0.00 37.83 35.00 2kot s LYS 89 CO 0.77 -1.16 0.95 1.57 0.10 0.00 0.00 175.35 177.58 2kot h LYS 90 N 7.27 0.21 -2.96 1.78 -0.00 -1.72 -3.39 116.57 117.75 2kot h LYS 90 Ca 0.02 -0.36 -0.61 0.00 -0.00 0.00 0.00 60.65 59.69 2kot h LYS 90 Cb 1.08 0.13 -0.41 0.00 -0.00 0.00 0.00 32.23 33.04 2kot h LYS 90 CO 0.21 1.08 -0.71 0.15 -0.00 0.00 0.00 179.45 180.19 2kot s LYS 91 N -2.63 1.74 -1.52 0.07 1.02 -1.26 -5.01 119.74 112.14 2kot s LYS 91 Ca -0.07 -2.60 -0.12 0.00 0.02 0.00 0.00 55.97 53.21 2kot s LYS 91 Cb 0.07 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 2kot s LYS 91 CO 0.85 -1.24 2.60 -0.40 -0.92 0.00 0.00 175.35 176.24 2kot n ASP 92 N 2.78 6.37 0.00 2.83 5.75 -1.26 -2.78 116.55 130.23 2kot n ASP 92 Ca 0.16 -2.69 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 2kot n ASP 92 Cb 0.37 -1.59 0.00 0.00 -1.03 0.00 0.00 41.12 38.87 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 4.81 0.00 -0.06 -2.12 7.94 -1.26 -5.00 117.00 121.31 2kot n LEU 93 Ca 0.66 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 55.42 2kot n LEU 93 Cb 0.30 0.14 -0.12 0.00 0.53 0.00 0.00 43.42 44.27 2kot n LEU 93 CO 0.88 -0.14 0.42 0.50 -1.11 0.00 0.00 177.39 177.93 2kot h LYS 94 N 0.00 -0.00 -6.32 1.96 1.63 -2.00 -3.46 116.57 108.38 2kot h LYS 94 Ca 0.00 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 59.11 2kot h LYS 94 Cb 0.00 0.00 -0.27 0.00 -0.60 0.00 0.00 32.23 31.36 2kot h LYS 94 CO 0.00 0.90 -0.83 0.96 -3.45 0.00 0.00 179.45 177.03 2kot s ILE 95 N -2.50 2.57 -0.02 2.00 -4.36 -1.12 -5.04 121.20 112.73 2kot s ILE 95 Ca -0.18 -0.90 0.16 0.00 -0.26 0.00 0.00 60.65 59.47 2kot s ILE 95 Cb -0.02 -1.97 0.28 0.00 1.25 0.00 0.00 42.46 42.00 2kot s ILE 95 CO 0.67 0.58 1.12 -2.11 0.24 0.00 0.00 174.94 175.44 2kot n ARG 96 N 2.51 0.20 -3.12 0.37 1.85 -1.26 -4.42 116.66 112.80 2kot n ARG 96 Ca -0.17 -1.81 0.04 0.00 -1.00 0.00 0.00 57.85 54.91 2kot n ARG 96 Cb 0.52 -0.38 -0.00 0.00 -1.05 0.00 0.00 32.46 31.54 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 -0.43 0.44 0.00 2.89 -2.85 -1.26 -5.17 119.74 113.36 2kot s LYS 97 Ca 0.23 0.22 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 2kot s LYS 97 Cb 0.25 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 2kot s LYS 97 CO -0.09 -0.75 0.00 1.17 0.10 0.00 0.00 175.35 175.78