#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 3.32 -0.10 3.17 0.00 -1.26 -5.00 121.76 121.89 2kot s ALA 2 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 2kot s ALA 2 Cb 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 2kot s ALA 2 CO 0.00 0.45 0.29 0.00 0.00 0.00 0.00 175.76 176.50 2kot s ALA 3 N -1.82 3.70 0.01 0.00 0.00 -1.26 -5.11 121.76 117.27 2kot s ALA 3 Ca 0.29 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 51.89 2kot s ALA 3 Cb -0.09 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 2kot s ALA 3 CO 0.20 0.34 -0.21 -2.00 0.00 0.00 0.00 175.76 174.10 2kot s GLU 4 N -0.38 1.58 0.21 0.00 2.12 -1.26 -4.96 118.70 116.00 2kot s GLU 4 Ca 0.18 -0.84 -0.31 0.00 0.36 0.00 0.00 54.97 54.37 2kot s GLU 4 Cb -0.14 -1.60 -0.10 0.00 0.26 0.00 0.00 34.13 32.55 2kot s GLU 4 CO 0.07 0.43 1.53 -2.14 -0.54 0.00 0.00 175.26 174.61 2kot s PRO 5 N -0.78 4.22 0.00 4.30 0.02 -1.26 -4.95 135.00 136.55 2kot s PRO 5 Ca 0.08 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.47 2kot s PRO 5 Cb -0.08 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2kot s PRO 5 CO 0.00 -0.55 0.00 1.28 -0.33 0.00 0.00 177.00 177.40 2kot n LEU 6 N 3.23 0.00 -4.61 -5.54 4.77 -1.26 -5.03 117.00 108.55 2kot n LEU 6 Ca 0.11 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.79 2kot n LEU 6 Cb 0.39 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.67 2kot n LEU 6 CO 0.61 0.00 0.62 -0.89 -1.33 0.00 0.00 177.39 176.40 2kot s THR 7 N 3.47 2.20 0.27 -5.08 2.01 -1.26 -4.53 115.64 112.72 2kot s THR 7 Ca 0.00 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.07 2kot s THR 7 Cb 0.00 -2.20 0.26 0.00 0.01 0.00 0.00 72.50 70.57 2kot s THR 7 CO 0.00 -0.08 1.78 -0.08 -0.69 0.00 0.00 174.62 175.55 2kot h GLU 8 N -2.09 0.71 -0.11 4.92 4.81 -2.01 0.53 114.58 121.34 2kot h GLU 8 Ca -0.51 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.45 2kot h GLU 8 Cb 1.30 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.52 2kot h GLU 8 CO 0.48 0.47 -0.82 -0.07 -0.73 0.00 0.00 179.01 178.34 2kot h LEU 9 N 0.73 0.83 -0.82 1.64 3.38 -2.01 -2.90 115.31 116.16 2kot h LEU 9 Ca 0.49 -0.57 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2kot h LEU 9 Cb 0.66 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2kot h LEU 9 CO -0.34 1.36 -0.58 -0.33 0.09 0.00 0.00 178.44 178.63 2kot h GLU 10 N 0.45 0.00 0.00 1.13 5.08 -1.71 -3.08 114.58 116.45 2kot h GLU 10 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2kot h GLU 10 Cb 1.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 2kot h GLU 10 CO 0.16 0.58 -0.15 1.49 -1.00 0.00 0.00 179.01 180.09 2kot h GLU 11 N 0.00 0.00 0.54 2.33 4.81 -0.00 -3.12 114.58 119.14 2kot h GLU 11 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2kot h GLU 11 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2kot h GLU 11 CO 0.08 0.15 -0.28 0.77 -0.73 0.00 0.00 179.01 179.00 2kot h SER 12 N 0.00 -0.66 1.44 1.04 0.02 -1.41 -2.31 113.55 111.66 2kot h SER 12 Ca -0.00 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2kot h SER 12 Cb 1.04 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2kot h SER 12 CO 0.02 -0.46 -0.07 0.16 -1.14 0.00 0.00 176.83 175.34 2kot h ILE 13 N -0.75 0.15 -0.07 3.27 -0.00 -1.70 -3.18 117.51 115.22 2kot h ILE 13 Ca -0.07 -0.93 -0.10 0.00 -0.00 0.00 0.00 64.86 63.76 2kot h ILE 13 Cb 0.59 1.82 -0.01 0.00 -0.00 0.00 0.00 36.82 39.21 2kot h ILE 13 CO 0.11 0.07 -0.40 -0.08 -0.00 0.00 0.00 178.15 177.86 2kot h GLU 14 N 0.00 0.16 -0.94 0.16 4.22 -1.45 -3.16 114.58 113.56 2kot h GLU 14 Ca -0.00 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.38 2kot h GLU 14 Cb 0.81 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 2kot h GLU 14 CO 0.01 0.53 0.63 1.15 -2.18 0.00 0.00 179.01 179.15 2kot h THR 15 N 0.13 1.23 0.00 0.32 2.02 -1.40 -2.19 112.91 113.02 2kot h THR 15 Ca 0.01 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 2kot h THR 15 Cb 0.76 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2kot h THR 15 CO 0.06 0.23 -0.35 0.58 0.37 0.00 0.00 175.52 176.41 2kot h VAL 16 N 1.26 0.94 0.00 3.16 2.07 -1.73 -1.99 116.25 119.97 2kot h VAL 16 Ca 0.35 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2kot h VAL 16 Cb -0.12 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2kot h VAL 16 CO -0.08 0.34 -0.28 0.52 0.02 0.00 0.00 177.57 178.09 2kot n VAL 17 N -3.67 0.35 0.28 2.57 0.31 -0.86 -3.61 118.33 113.70 2kot n VAL 17 Ca -0.01 -0.20 0.04 0.00 -0.01 0.00 0.00 64.34 64.16 2kot n VAL 17 Cb 0.45 -0.31 -0.05 0.00 -0.91 0.00 0.00 33.84 33.03 2kot n VAL 17 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2kot n THR 18 N -2.00 0.00 -0.09 2.52 -2.24 -1.02 -4.40 114.28 107.06 2kot n THR 18 Ca 0.05 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 2kot n THR 18 Cb 0.41 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 2kot n THR 18 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2kot n THR 19 N -1.31 1.48 0.05 4.28 -1.04 -0.76 -4.55 114.28 112.44 2kot n THR 19 Ca 0.01 0.15 -0.18 0.00 -2.04 0.00 0.00 64.05 61.99 2kot n THR 19 Cb 0.14 -2.35 -0.14 0.00 -1.82 0.00 0.00 70.33 66.15 2kot n THR 19 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2kot h PHE 20 N -1.00 0.46 -0.04 -1.42 3.57 -1.80 -3.35 116.94 113.36 2kot h PHE 20 Ca -0.01 -0.34 0.01 0.00 3.53 0.00 0.00 57.97 61.16 2kot h PHE 20 Cb 0.88 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 2kot h PHE 20 CO -0.37 1.44 0.08 0.74 -2.23 0.00 0.00 178.31 177.97 2kot h PHE 21 N 0.07 0.00 -0.11 0.41 -1.00 -1.77 -1.31 116.94 113.23 2kot h PHE 21 Ca -0.28 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.47 2kot h PHE 21 Cb 2.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.58 2kot h PHE 21 CO 0.07 0.00 -0.08 1.15 -1.61 0.00 0.00 178.31 177.83 2kot h THR 22 N 0.00 1.13 0.01 -1.55 2.02 -1.80 -2.32 112.91 110.39 2kot h THR 22 Ca 0.02 -0.56 -0.36 0.00 0.77 0.00 0.00 66.41 66.29 2kot h THR 22 Cb 0.17 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 2kot h THR 22 CO -0.00 0.17 -2.23 0.49 0.37 0.00 0.00 175.52 174.32 2kot n PHE 23 N -4.35 0.28 1.94 3.16 3.72 -0.58 -4.40 117.46 117.24 2kot n PHE 23 Ca -0.01 0.09 0.15 0.00 -0.05 0.00 0.00 57.45 57.63 2kot n PHE 23 Cb 0.21 -1.05 0.85 0.00 -0.94 0.00 0.00 39.48 38.56 2kot n PHE 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kot n ALA 24 N -2.79 2.67 0.69 4.37 0.00 -0.71 -3.75 120.51 120.99 2kot n ALA 24 Ca -0.31 -0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.04 2kot n ALA 24 Cb 1.11 -1.45 0.37 0.00 0.00 0.00 0.00 19.45 19.48 2kot n ALA 24 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kot n ARG 25 N -0.85 0.22 -0.02 0.00 1.85 -0.88 -4.09 116.66 112.89 2kot n ARG 25 Ca 0.22 0.14 -0.17 0.00 -1.00 0.00 0.00 57.85 57.04 2kot n ARG 25 Cb 0.13 -1.72 -0.08 0.00 -1.05 0.00 0.00 32.46 29.75 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 0.71 -4.65 2.89 4.15 -1.82 -3.39 115.11 113.00 2kot h GLN 26 Ca 0.00 -0.58 -0.70 0.00 0.77 0.00 0.00 58.65 58.14 2kot h GLN 26 Cb 0.69 0.12 -0.20 0.00 0.21 0.00 0.00 27.48 28.31 2kot h GLN 26 CO 0.00 1.19 -0.38 -1.21 -1.93 0.00 0.00 178.83 176.50 2kot s GLU 27 N -3.72 3.13 -0.16 1.69 0.41 -1.26 -4.85 118.70 113.94 2kot s GLU 27 Ca -0.11 -0.86 -0.11 0.00 -0.41 0.00 0.00 54.97 53.48 2kot s GLU 27 Cb 0.08 -3.94 0.04 0.00 -1.78 0.00 0.00 34.13 28.53 2kot s GLU 27 CO 0.88 -0.71 0.21 0.41 -0.49 0.00 0.00 175.26 175.57 2kot n GLY 28 N 5.12 -4.81 1.40 -1.39 0.00 -1.26 -4.54 105.19 99.72 2kot n GLY 28 Ca -0.10 1.56 0.10 0.00 0.00 0.00 0.00 46.02 47.58 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 1.82 -3.42 0.04 1.61 3.00 -1.26 -4.52 116.66 113.94 2kot n ARG 29 Ca -0.36 2.74 -0.14 0.00 -0.01 0.00 0.00 57.85 60.08 2kot n ARG 29 Cb 0.56 -3.70 -0.14 0.00 0.00 0.00 0.00 32.46 29.18 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 -0.77 0.16 -1.97 5.56 1.79 -1.91 -3.37 116.57 116.07 2kot h LYS 30 Ca -0.12 -0.28 -0.76 0.00 -2.18 0.00 0.00 60.65 57.31 2kot h LYS 30 Cb 1.15 0.10 -0.28 0.00 -1.58 0.00 0.00 32.23 31.63 2kot h LYS 30 CO 0.05 0.98 0.94 -0.25 -1.08 0.00 0.00 179.45 180.09 2kot n ASP 31 N -3.36 7.34 -3.67 0.86 8.00 -1.26 -4.56 116.55 119.89 2kot n ASP 31 Ca -0.15 -3.83 -0.14 0.00 0.71 0.00 0.00 54.79 51.38 2kot n ASP 31 Cb 1.03 -1.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 2kot n ASP 31 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kot s SER 32 N -1.26 -0.58 0.19 -2.24 0.15 -1.26 -4.21 113.70 104.49 2kot s SER 32 Ca 0.52 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 58.15 2kot s SER 32 Cb 0.43 1.08 -0.07 0.00 -1.71 0.00 0.00 66.02 65.76 2kot s SER 32 CO -0.40 -0.23 0.49 -0.76 1.20 0.00 0.00 173.24 173.54 2kot s LEU 33 N 0.14 4.22 0.31 3.45 1.02 0.34 -4.53 118.68 123.63 2kot s LEU 33 Ca -0.01 0.83 -0.11 0.00 0.02 0.00 0.00 54.13 54.85 2kot s LEU 33 Cb -0.04 -3.50 -0.08 0.00 0.02 0.00 0.00 46.19 42.60 2kot s LEU 33 CO 0.02 -0.01 0.67 -0.55 0.02 0.00 0.00 176.35 176.49 2kot s SER 34 N -2.29 6.64 0.48 2.29 0.15 -1.26 -1.18 113.70 118.53 2kot s SER 34 Ca 0.44 1.08 0.16 0.00 0.70 0.00 0.00 55.95 58.33 2kot s SER 34 Cb -0.12 -2.29 1.14 0.00 -1.71 0.00 0.00 66.02 63.04 2kot s SER 34 CO 0.22 -0.21 2.06 1.62 1.20 0.00 0.00 173.24 178.13 2kot h VAL 35 N 1.73 1.04 0.01 4.45 3.04 -1.95 -2.03 116.25 122.54 2kot h VAL 35 Ca -0.47 -0.40 -0.35 0.00 -1.01 0.00 0.00 66.70 64.47 2kot h VAL 35 Cb 1.18 1.22 -0.06 0.00 -2.01 0.00 0.00 31.29 31.62 2kot h VAL 35 CO 0.66 0.11 -2.18 -3.20 -1.01 0.00 0.00 177.57 171.95 2kot n ASN 36 N -4.34 0.85 -0.07 3.17 5.15 -1.26 -4.11 115.26 114.65 2kot n ASN 36 Ca -0.03 0.11 -0.15 0.00 -0.60 0.00 0.00 54.58 53.92 2kot n ASN 36 Cb 0.19 0.24 -0.05 0.00 -0.53 0.00 0.00 39.78 39.63 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 0.74 -0.33 1.20 5.08 -1.95 -2.98 114.58 116.35 2kot h GLU 37 Ca -0.47 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.35 2kot h GLU 37 Cb 2.10 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.38 2kot h GLU 37 CO 0.03 1.09 -0.07 0.27 -1.00 0.00 0.00 179.01 179.33 2kot h PHE 38 N 0.48 0.58 -0.57 4.33 -0.00 -1.59 -2.56 116.94 117.60 2kot h PHE 38 Ca 0.01 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.97 57.85 2kot h PHE 38 Cb 1.06 -0.16 -0.02 0.00 -0.00 0.00 0.00 35.95 36.82 2kot h PHE 38 CO 0.08 0.61 0.13 -0.22 -0.00 0.00 0.00 178.31 178.91 2kot h LYS 39 N 0.51 0.92 0.00 6.09 3.64 -1.70 -2.83 116.57 123.20 2kot h LYS 39 Ca 0.10 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 2kot h LYS 39 Cb 0.44 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2kot h LYS 39 CO 0.02 0.86 -0.41 0.93 -2.27 0.00 0.00 179.45 178.59 2kot h GLU 40 N 0.82 0.00 -0.38 1.90 5.08 -1.37 -3.09 114.58 117.55 2kot h GLU 40 Ca 0.18 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 2kot h GLU 40 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2kot h GLU 40 CO 0.00 0.41 -0.23 1.25 -1.00 0.00 0.00 179.01 179.44 2kot h LEU 41 N 0.00 0.77 -1.04 1.33 5.85 -1.22 -2.83 115.31 118.17 2kot h LEU 41 Ca -0.00 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 2kot h LEU 41 Cb 0.82 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2kot h LEU 41 CO 0.05 0.98 -0.37 0.58 -0.34 0.00 0.00 178.44 179.33 2kot h VAL 42 N 0.66 0.95 -0.51 1.05 2.07 -1.43 -2.10 116.25 116.94 2kot h VAL 42 Ca 0.09 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 2kot h VAL 42 Cb 0.74 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 2kot h VAL 42 CO 0.06 0.37 0.08 0.41 0.02 0.00 0.00 177.57 178.50 2kot n THR 43 N -3.63 2.66 0.11 2.57 -1.04 -1.15 -2.50 114.28 111.30 2kot n THR 43 Ca -0.01 -1.73 0.00 0.00 -2.04 0.00 0.00 64.05 60.27 2kot n THR 43 Cb 0.48 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 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 -0.11 0.00 -0.03 -2.82 7.27 -1.08 -4.91 117.38 115.70 2kot n GLN 44 Ca 0.30 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.46 2kot n GLN 44 Cb 1.15 -0.00 0.09 0.00 2.41 0.00 0.00 30.24 33.89 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 -3.26 1.48 -2.74 3.69 7.27 -0.96 -4.63 117.38 118.22 2kot n GLN 45 Ca 0.00 -1.59 -0.05 0.00 0.07 0.00 0.00 57.00 55.44 2kot n GLN 45 Cb 0.00 -1.33 0.05 0.00 2.41 0.00 0.00 30.24 31.37 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 0.94 1.21 0.09 1.69 0.00 -0.83 -4.95 117.00 115.15 2kot n LEU 46 Ca 0.11 -3.37 -0.18 0.00 0.00 0.00 0.00 56.01 52.57 2kot n LEU 46 Cb 0.43 0.42 -0.14 0.00 0.00 0.00 0.00 43.42 44.12 2kot n LEU 46 CO 0.11 1.34 -0.23 1.55 0.00 0.00 0.00 177.39 180.16 2kot h PRO 47 N 2.69 0.30 -0.12 1.96 0.13 -1.75 -3.29 132.00 131.92 2kot h PRO 47 Ca -0.14 -0.52 -0.17 0.00 -0.87 0.00 0.00 66.00 64.30 2kot h PRO 47 Cb 1.23 0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.55 2kot h PRO 47 CO 0.30 1.21 -0.63 0.45 -0.23 0.00 0.00 178.00 179.09 2kot h HIS 48 N 0.08 0.59 0.57 1.56 3.86 -1.93 -3.32 115.15 116.57 2kot h HIS 48 Ca -0.21 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 58.74 2kot h HIS 48 Cb 2.03 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 30.40 2kot h HIS 48 CO 0.07 0.96 -0.28 1.25 0.86 0.00 0.00 177.93 180.80 2kot h LEU 49 N 0.33 -0.65 -7.93 2.43 5.85 -1.88 -3.38 115.31 110.08 2kot h LEU 49 Ca -0.01 -0.04 -0.76 0.00 0.84 0.00 0.00 57.88 57.91 2kot h LEU 49 Cb 1.18 0.17 -0.27 0.00 0.37 0.00 0.00 40.66 42.12 2kot h LEU 49 CO 0.11 -0.32 -0.16 -0.76 -0.34 0.00 0.00 178.44 176.97 2kot s LEU 50 N -9.69 6.21 0.54 2.25 1.43 -1.24 -4.49 118.68 113.69 2kot s LEU 50 Ca -0.15 -2.21 0.24 0.00 -1.03 0.00 0.00 54.13 50.98 2kot s LEU 50 Cb 0.02 -2.14 1.43 0.00 0.03 0.00 0.00 46.19 45.53 2kot s LEU 50 CO 0.52 -0.69 2.06 0.07 0.23 0.00 0.00 176.35 178.54 2kot h LYS 51 N 8.27 0.00 -5.48 1.70 2.10 -1.75 -3.36 116.57 118.06 2kot h LYS 51 Ca -0.12 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.86 2kot h LYS 51 Cb 1.06 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.26 2kot h LYS 51 CO 0.88 0.00 1.45 -0.51 -2.00 0.00 0.00 179.45 179.27 2kot s ASP 52 N -6.30 6.73 -0.07 7.07 1.01 -1.26 -4.76 116.67 119.10 2kot s ASP 52 Ca -0.05 -2.16 -0.03 0.00 0.71 0.00 0.00 52.55 51.01 2kot s ASP 52 Cb 0.18 -2.49 -0.27 0.00 1.01 0.00 0.00 42.92 41.35 2kot s ASP 52 CO 0.67 -1.15 0.58 -0.37 0.21 0.00 0.00 175.17 175.11 2kot h VAL 53 N 5.81 0.84 0.00 -1.27 -1.51 -1.92 -3.36 116.25 114.84 2kot h VAL 53 Ca 0.27 -2.54 -0.26 0.00 -1.23 0.00 0.00 66.70 62.94 2kot h VAL 53 Cb 0.95 2.60 -0.04 0.00 -2.13 0.00 0.00 31.29 32.67 2kot h VAL 53 CO 1.31 0.81 -1.43 1.23 -1.23 0.00 0.00 177.57 178.26 2kot h GLY 54 N 1.56 0.01 -4.90 5.19 0.00 -1.96 -3.36 103.07 99.60 2kot h GLY 54 Ca -0.35 -0.02 -0.66 0.00 0.00 0.00 0.00 47.33 46.30 2kot h GLY 54 CO 0.12 0.02 0.85 -1.26 0.00 0.00 0.00 176.54 176.27 2kot n SER 55 N -3.18 7.12 0.10 0.19 2.88 -1.26 -4.54 113.62 114.94 2kot n SER 55 Ca -0.10 -3.55 0.09 0.00 -1.33 0.00 0.00 58.87 53.98 2kot n SER 55 Cb 1.01 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2kot n SER 55 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kot h LEU 56 N 3.55 0.00 -1.59 2.46 7.12 -1.73 -3.37 115.31 121.75 2kot h LEU 56 Ca 0.50 0.00 0.18 0.00 0.13 0.00 0.00 57.88 58.69 2kot h LEU 56 Cb 0.33 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.41 2kot h LEU 56 CO 1.20 0.12 0.55 -2.24 -0.13 0.00 0.00 178.44 177.93 2kot h ASP 57 N 0.00 0.36 -0.72 1.25 3.04 -1.93 0.31 116.42 118.72 2kot h ASP 57 Ca -0.03 0.03 -0.06 0.00 -3.24 0.00 0.00 57.03 53.73 2kot h ASP 57 Cb 1.11 -0.04 -0.03 0.00 -1.04 0.00 0.00 39.33 39.33 2kot h ASP 57 CO 0.01 0.16 0.22 -0.08 -2.04 0.00 0.00 179.24 177.52 2kot h GLU 58 N 0.37 1.12 0.10 4.15 4.81 -1.96 -2.32 114.58 120.84 2kot h GLU 58 Ca 0.41 -0.24 -0.28 0.00 -0.13 0.00 0.00 59.36 59.12 2kot h GLU 58 Cb 1.05 -0.16 0.03 0.00 0.63 0.00 0.00 28.75 30.30 2kot h GLU 58 CO -0.13 0.96 -1.14 0.87 -0.73 0.00 0.00 179.01 178.84 2kot h LYS 59 N 1.06 0.60 -0.92 1.92 6.56 -1.46 -3.33 116.57 121.01 2kot h LYS 59 Ca 0.23 -0.78 0.06 0.00 -1.06 0.00 0.00 60.65 59.11 2kot h LYS 59 Cb 0.31 0.25 -0.06 0.00 -0.57 0.00 0.00 32.23 32.16 2kot h LYS 59 CO -0.01 1.35 0.60 1.98 -2.06 0.00 0.00 179.45 181.31 2kot h MET 60 N 0.21 1.03 -0.47 3.15 4.05 -0.94 -2.01 114.93 119.96 2kot h MET 60 Ca -0.17 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.16 2kot h MET 60 Cb 1.83 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 32.37 2kot h MET 60 CO 0.22 0.68 0.20 0.87 0.23 0.00 0.00 176.91 179.11 2kot h LYS 61 N 1.06 0.67 0.00 0.39 1.79 -1.52 -2.13 116.57 116.82 2kot h LYS 61 Ca 0.39 -0.09 -0.16 0.00 -2.18 0.00 0.00 60.65 58.62 2kot h LYS 61 Cb 0.18 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2kot h LYS 61 CO -0.15 0.54 -0.74 0.77 -1.08 0.00 0.00 179.45 178.80 2kot h SER 62 N 0.66 0.00 0.12 0.86 0.02 -1.49 -3.34 113.55 110.38 2kot h SER 62 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2kot h SER 62 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2kot h SER 62 CO -0.02 0.74 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.29 2kot h LEU 63 N 0.00 -0.13 -7.62 5.07 3.38 -1.06 -3.39 115.31 111.56 2kot h LEU 63 Ca -0.01 -0.44 -0.64 0.00 0.09 0.00 0.00 57.88 56.89 2kot h LEU 63 Cb 1.33 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 2kot h LEU 63 CO 0.10 0.46 2.17 -0.67 0.09 0.00 0.00 178.44 180.60 2kot n ASP 64 N -4.87 4.52 -0.09 -0.43 2.03 -0.84 -4.62 116.55 112.25 2kot n ASP 64 Ca -0.08 -2.88 -0.16 0.00 0.52 0.00 0.00 54.79 52.20 2kot n ASP 64 Cb 0.28 -1.72 -0.13 0.00 -0.72 0.00 0.00 41.12 38.82 2kot n ASP 64 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2kot n VAL 65 N 6.42 1.53 0.14 5.18 3.14 -1.26 -4.38 118.33 129.10 2kot n VAL 65 Ca 0.49 -0.67 -0.01 0.00 -2.96 0.00 0.00 64.34 61.19 2kot n VAL 65 Cb 0.45 -1.22 0.19 0.00 -1.06 0.00 0.00 33.84 32.20 2kot n VAL 65 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2kot h ASN 66 N 0.01 0.00 -5.08 6.55 -0.73 -1.94 -3.49 115.58 110.90 2kot h ASN 66 Ca -0.52 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.65 2kot h ASN 66 Cb 2.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.60 2kot h ASN 66 CO -0.02 0.59 -0.07 0.00 -0.37 0.00 0.00 177.43 177.57 2kot n GLN 67 N -3.80 -1.31 -0.29 6.67 6.02 -1.26 -5.01 117.38 118.40 2kot n GLN 67 Ca -0.01 1.47 0.00 0.00 -0.01 0.00 0.00 57.00 58.45 2kot n GLN 67 Cb 0.60 -5.26 0.00 0.00 1.02 0.00 0.00 30.24 26.60 2kot n GLN 67 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2kot n ASP 68 N -1.47 0.00 -2.22 1.08 -0.08 -1.26 -5.02 116.55 107.58 2kot n ASP 68 Ca 0.02 -1.50 -0.21 0.00 -1.51 0.00 0.00 54.79 51.59 2kot n ASP 68 Cb 0.49 -0.10 -0.02 0.00 2.34 0.00 0.00 41.12 43.82 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 0.00 -5.81 -3.78 1.67 2.88 -1.26 -5.00 113.62 102.32 2kot n SER 69 Ca 0.00 0.08 -0.14 0.00 -1.33 0.00 0.00 58.87 57.47 2kot n SER 69 Cb 0.60 -4.87 -0.15 0.00 -0.75 0.00 0.00 64.21 59.03 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 -4.80 -0.01 -0.78 -1.46 2.02 -1.26 -4.58 118.70 107.82 2kot s GLU 70 Ca 0.00 0.19 -0.05 0.00 0.02 0.00 0.00 54.97 55.13 2kot s GLU 70 Cb 0.00 -0.20 0.20 0.00 0.10 0.00 0.00 34.13 34.23 2kot s GLU 70 CO 0.00 -0.14 0.66 -0.51 0.02 0.00 0.00 175.26 175.28 2kot s LEU 71 N 0.93 5.70 1.08 1.80 1.02 -0.33 -4.93 118.68 123.96 2kot s LEU 71 Ca -0.08 -3.15 -0.15 0.00 0.02 0.00 0.00 54.13 50.77 2kot s LEU 71 Cb -0.11 -1.96 0.23 0.00 0.02 0.00 0.00 46.19 44.37 2kot s LEU 71 CO -0.03 -0.34 1.10 -0.54 0.02 0.00 0.00 176.35 176.55 2kot s LYS 72 N -0.51 -0.25 0.45 1.70 1.02 -1.26 -0.50 119.74 120.38 2kot s LYS 72 Ca 0.21 0.29 0.23 0.00 0.02 0.00 0.00 55.97 56.73 2kot s LYS 72 Cb -0.14 -1.68 1.00 0.00 -0.52 0.00 0.00 37.83 36.50 2kot s LYS 72 CO -0.07 -3.14 1.87 0.35 -0.92 0.00 0.00 175.35 173.44 2kot h PHE 73 N -2.18 0.00 0.00 3.18 3.57 -1.96 0.58 116.94 120.13 2kot h PHE 73 Ca -0.52 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 60.87 2kot h PHE 73 Cb 1.32 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 2kot h PHE 73 CO -0.56 0.24 -0.55 -0.97 -2.23 0.00 0.00 178.31 174.23 2kot h ASN 74 N 0.00 0.00 0.11 0.41 -0.73 -1.95 -1.22 115.58 112.20 2kot h ASN 74 Ca -0.00 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 57.83 2kot h ASN 74 Cb 0.67 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.24 2kot h ASN 74 CO 0.03 0.55 -1.80 -0.33 -0.37 0.00 0.00 177.43 175.52 2kot h GLU 75 N 0.00 0.23 0.00 6.67 5.08 -1.72 -3.36 114.58 121.49 2kot h GLU 75 Ca -0.01 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2kot h GLU 75 Cb 1.01 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2kot h GLU 75 CO 0.07 1.19 0.00 0.98 -1.00 0.00 0.00 179.01 180.25 2kot n TYR 76 N -3.70 0.25 0.05 4.33 9.36 0.20 -3.67 117.16 123.98 2kot n TYR 76 Ca -0.31 0.09 0.21 0.00 3.32 0.00 0.00 57.90 61.22 2kot n TYR 76 Cb 0.98 -0.65 0.73 0.00 -0.63 0.00 0.00 39.34 39.77 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 -0.42 2.98 7.01 -1.37 -1.42 115.95 122.73 2kot h TRP 77 Ca 0.00 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.87 2kot h TRP 77 Cb 0.35 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 2kot h TRP 77 CO 0.00 0.00 -0.24 0.00 -2.79 0.00 0.00 178.44 175.41 2kot h ARG 78 N 0.00 0.87 0.00 2.65 2.47 -1.86 -2.66 114.38 115.85 2kot h ARG 78 Ca 0.23 -0.37 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 2kot h ARG 78 Cb 1.17 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.45 2kot h ARG 78 CO -0.00 1.01 -0.40 1.25 0.56 0.00 0.00 179.97 182.39 2kot h LEU 79 N 0.75 0.00 -0.74 3.04 5.85 -1.56 -3.12 115.31 119.53 2kot h LEU 79 Ca 0.10 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2kot h LEU 79 Cb 0.79 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2kot h LEU 79 CO 0.07 0.32 -0.16 0.40 -0.34 0.00 0.00 178.44 178.73 2kot h ILE 80 N 0.00 1.26 -0.35 4.05 1.08 -1.31 -0.41 117.51 121.83 2kot h ILE 80 Ca -0.01 -1.25 -0.16 0.00 -0.39 0.00 0.00 64.86 63.05 2kot h ILE 80 Cb 1.26 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 2kot h ILE 80 CO 0.04 0.42 -0.42 1.23 -0.69 0.00 0.00 178.15 178.73 2kot h GLY 81 N 0.97 0.95 2.00 5.37 0.00 -1.51 -2.89 103.07 107.95 2kot h GLY 81 Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.44 2kot h GLY 81 CO 0.05 0.90 0.00 0.83 0.00 0.00 0.00 176.54 178.32 2kot h GLU 82 N 0.70 0.00 0.16 4.80 4.39 -1.47 -2.58 114.58 120.59 2kot h GLU 82 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2kot h GLU 82 Cb 1.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2kot h GLU 82 CO 0.10 0.00 -0.08 1.25 -1.16 0.00 0.00 179.01 179.12 2kot h LEU 83 N 0.00 -0.18 -0.11 1.33 5.85 -0.85 -1.67 115.31 119.67 2kot h LEU 83 Ca 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2kot h LEU 83 Cb 0.56 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2kot h LEU 83 CO 0.00 0.09 -0.37 0.00 -0.34 0.00 0.00 178.44 177.82 2kot n ALA 84 N -2.32 3.26 0.06 1.25 0.00 -1.23 -3.98 120.51 117.55 2kot n ALA 84 Ca -0.09 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 2kot n ALA 84 Cb 0.20 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 2kot n ALA 84 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kot h LYS 85 N 0.27 0.29 -0.36 0.00 3.64 -1.46 -3.36 116.57 115.60 2kot h LYS 85 Ca 0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2kot h LYS 85 Cb 0.49 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2kot h LYS 85 CO 0.00 1.16 0.00 0.39 -2.27 0.00 0.00 179.45 178.73 2kot n GLU 86 N -3.48 1.65 -0.12 1.90 -0.58 -0.63 -1.91 120.64 117.48 2kot n GLU 86 Ca -0.21 -0.84 -0.16 0.00 -0.42 0.00 0.00 57.16 55.53 2kot n GLU 86 Cb 1.06 -1.29 -0.11 0.00 -0.57 0.00 0.00 31.44 30.53 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 0.16 1.37 -0.11 -3.67 0.00 -1.26 -4.37 119.36 111.49 2kot n ILE 87 Ca 0.08 -0.54 -0.14 0.00 0.00 0.00 0.00 62.75 62.15 2kot n ILE 87 Cb 0.26 -1.32 -0.13 0.00 0.00 0.00 0.00 39.64 38.45 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 -3.19 0.73 -3.47 9.51 1.85 -1.25 -4.79 116.66 116.05 2kot n ARG 88 Ca -0.42 0.08 -0.26 0.00 -1.00 0.00 0.00 57.85 56.25 2kot n ARG 88 Cb 0.96 -1.48 -0.09 0.00 -1.05 0.00 0.00 32.46 30.79 2kot n ARG 88 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2kot n LYS 89 N -3.01 1.22 -0.12 2.89 2.85 -0.80 -4.92 118.16 116.27 2kot n LYS 89 Ca -0.38 -3.82 -0.22 0.00 -1.05 0.00 0.00 58.31 52.84 2kot n LYS 89 Cb 1.02 -1.82 -0.08 0.00 -0.65 0.00 0.00 35.03 33.50 2kot n LYS 89 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2kot n LYS 90 N 1.83 0.56 -2.40 -1.58 2.85 -1.25 -4.40 118.16 113.76 2kot n LYS 90 Ca 0.25 0.30 -0.31 0.00 -1.05 0.00 0.00 58.31 57.50 2kot n LYS 90 Cb 0.45 -1.51 0.01 0.00 -0.65 0.00 0.00 35.03 33.32 2kot n LYS 90 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2kot n LYS 91 N -4.35 3.34 -1.73 -1.58 5.02 -1.26 -4.98 118.16 112.63 2kot n LYS 91 Ca -0.38 -4.31 -0.40 0.00 -2.02 0.00 0.00 58.31 51.21 2kot n LYS 91 Cb 0.73 -2.27 -0.04 0.00 -0.02 0.00 0.00 35.03 33.43 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 -0.44 3.36 0.02 4.39 5.75 -1.26 -3.16 116.55 125.20 2kot n ASP 92 Ca 0.42 -2.76 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 2kot n ASP 92 Cb 0.49 -1.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.10 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 8.88 -0.32 -0.13 -2.12 7.94 -1.26 -5.01 117.00 124.98 2kot n LEU 93 Ca 0.49 0.08 -0.27 0.00 -1.11 0.00 0.00 56.01 55.21 2kot n LEU 93 Cb 0.42 0.64 -0.09 0.00 0.53 0.00 0.00 43.42 44.92 2kot n LEU 93 CO 0.88 -0.30 -1.34 1.17 -1.11 0.00 0.00 177.39 176.69 2kot n LYS 94 N -2.46 0.56 -4.09 1.96 3.00 -1.22 -4.95 118.16 110.96 2kot n LYS 94 Ca 0.00 0.25 -0.32 0.00 -0.00 0.00 0.00 58.31 58.23 2kot n LYS 94 Cb 0.00 -1.45 -0.16 0.00 0.00 0.00 0.00 35.03 33.42 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 -2.53 2.05 -0.43 3.15 -4.36 -1.19 -5.04 121.20 112.84 2kot s ILE 95 Ca -0.37 -1.16 0.09 0.00 -0.26 0.00 0.00 60.65 58.96 2kot s ILE 95 Cb 0.13 -1.97 0.31 0.00 1.25 0.00 0.00 42.46 42.19 2kot s ILE 95 CO 0.47 0.33 0.70 -2.11 0.24 0.00 0.00 174.94 174.57 2kot n ARG 96 N 4.57 1.33 -2.94 0.37 1.85 -1.26 -4.27 116.66 116.30 2kot n ARG 96 Ca -0.18 -3.64 -0.00 0.00 -1.00 0.00 0.00 57.85 53.03 2kot n ARG 96 Cb 0.47 -1.68 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 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 -2.22 0.64 0.00 2.89 -2.85 -1.26 -5.13 119.74 111.81 2kot s LYS 97 Ca 0.40 -0.37 0.00 0.00 -1.00 0.00 0.00 55.97 54.99 2kot s LYS 97 Cb 0.27 0.04 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 2kot s LYS 97 CO -0.09 -0.87 0.11 1.17 0.10 0.00 0.00 175.35 175.77