#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 2.70 -0.34 3.17 0.00 -1.26 -5.07 121.76 120.96 2kot s ALA 2 Ca 0.00 -1.56 -0.19 0.00 0.00 0.00 0.00 51.96 50.20 2kot s ALA 2 Cb 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 2kot s ALA 2 CO 0.00 0.45 0.57 0.00 0.00 0.00 0.00 175.76 176.79 2kot s ALA 3 N -1.66 3.48 -0.04 0.00 0.00 -1.26 -5.07 121.76 117.20 2kot s ALA 3 Ca 0.22 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2kot s ALA 3 Cb -0.08 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 2kot s ALA 3 CO 0.12 -1.23 -0.01 -2.00 0.00 0.00 0.00 175.76 172.64 2kot s GLU 4 N 2.54 2.86 0.22 0.00 2.12 -1.26 -4.96 118.70 120.21 2kot s GLU 4 Ca 0.22 -0.53 -0.31 0.00 0.36 0.00 0.00 54.97 54.71 2kot s GLU 4 Cb -0.15 -2.71 -0.11 0.00 0.26 0.00 0.00 34.13 31.42 2kot s GLU 4 CO 0.14 0.66 1.65 -2.14 -0.54 0.00 0.00 175.26 175.03 2kot s PRO 5 N -1.23 4.15 0.00 4.30 0.02 -1.26 -4.99 135.00 135.99 2kot s PRO 5 Ca 0.16 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.73 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 0.06 -0.69 0.00 1.28 -0.33 0.00 0.00 177.00 177.33 2kot n LEU 6 N 3.53 0.00 -4.51 -5.54 4.77 -1.26 -5.05 117.00 108.93 2kot n LEU 6 Ca 0.13 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.80 2kot n LEU 6 Cb 0.36 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.62 2kot n LEU 6 CO 0.63 0.00 0.25 0.41 -1.33 0.00 0.00 177.39 177.36 2kot n THR 7 N 0.00 0.00 -0.27 -5.08 -1.04 -1.26 -4.38 114.28 102.25 2kot n THR 7 Ca 0.00 -0.15 0.08 0.00 -2.04 0.00 0.00 64.05 61.94 2kot n THR 7 Cb 0.00 -0.82 0.22 0.00 -1.82 0.00 0.00 70.33 67.92 2kot n THR 7 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2kot h GLU 8 N -1.88 0.27 0.04 -2.82 4.81 -2.01 0.76 114.58 113.76 2kot h GLU 8 Ca -0.46 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.50 2kot h GLU 8 Cb 1.29 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.62 2kot h GLU 8 CO 0.39 0.18 -1.07 -0.07 -0.73 0.00 0.00 179.01 177.71 2kot h LEU 9 N 0.28 0.65 -1.08 1.64 3.38 -2.01 -2.74 115.31 115.42 2kot h LEU 9 Ca 0.47 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2kot h LEU 9 Cb 0.85 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2kot h LEU 9 CO -0.55 1.37 -0.31 -0.33 0.09 0.00 0.00 178.44 178.72 2kot h GLU 10 N 0.24 0.00 0.00 1.13 5.08 -1.61 -2.98 114.58 116.44 2kot h GLU 10 Ca -0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2kot h GLU 10 Cb 1.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 2kot h GLU 10 CO 0.19 0.31 -0.58 1.49 -1.00 0.00 0.00 179.01 179.42 2kot h GLU 11 N 0.00 0.00 -0.41 2.33 4.81 0.47 -3.25 114.58 118.52 2kot h GLU 11 Ca -0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2kot h GLU 11 Cb 0.80 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 2kot h GLU 11 CO 0.04 0.16 0.17 0.77 -0.73 0.00 0.00 179.01 179.42 2kot h SER 12 N 0.00 0.20 1.12 1.04 0.02 -1.32 0.42 113.55 115.04 2kot h SER 12 Ca -0.02 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2kot h SER 12 Cb 1.18 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 2kot h SER 12 CO 0.02 0.15 -0.51 0.16 -1.14 0.00 0.00 176.83 175.51 2kot h ILE 13 N 0.34 1.00 -0.22 3.27 -0.00 -1.70 -3.27 117.51 116.93 2kot h ILE 13 Ca 0.19 -2.06 -0.14 0.00 -0.00 0.00 0.00 64.86 62.85 2kot h ILE 13 Cb 0.15 2.25 -0.01 0.00 -0.00 0.00 0.00 36.82 39.21 2kot h ILE 13 CO -0.17 0.50 -0.45 -0.08 -0.00 0.00 0.00 178.15 177.95 2kot h GLU 14 N 0.00 0.56 -0.99 0.16 4.22 -1.41 -3.25 114.58 113.87 2kot h GLU 14 Ca -0.01 -0.31 0.10 0.00 0.08 0.00 0.00 59.36 59.22 2kot h GLU 14 Cb 1.21 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.40 2kot h GLU 14 CO 0.07 0.90 0.63 1.15 -2.18 0.00 0.00 179.01 179.58 2kot h THR 15 N 0.46 0.99 -0.01 0.32 2.02 -0.99 -1.32 112.91 114.38 2kot h THR 15 Ca 0.03 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 66.71 2kot h THR 15 Cb 0.96 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2kot h THR 15 CO 0.09 0.19 -0.65 0.58 0.37 0.00 0.00 175.52 176.10 2kot h VAL 16 N 1.06 1.46 -0.00 3.16 2.07 -1.73 -2.22 116.25 120.05 2kot h VAL 16 Ca 0.46 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2kot h VAL 16 Cb 0.35 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2kot h VAL 16 CO -0.22 0.63 -0.05 0.52 0.02 0.00 0.00 177.57 178.47 2kot n VAL 17 N -3.78 0.00 -0.01 2.57 0.31 -0.59 -3.49 118.33 113.33 2kot n VAL 17 Ca -0.01 -0.02 0.03 0.00 -0.01 0.00 0.00 64.34 64.33 2kot n VAL 17 Cb 0.64 -0.36 -0.07 0.00 -0.91 0.00 0.00 33.84 33.14 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 -1.25 0.12 -0.08 2.52 -2.24 -0.64 -4.40 114.28 108.31 2kot n THR 18 Ca 0.13 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 2kot n THR 18 Cb 0.27 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.92 1.45 0.83 4.28 -1.04 -0.85 -4.54 114.28 112.49 2kot n THR 19 Ca -0.04 0.15 0.13 0.00 -2.04 0.00 0.00 64.05 62.25 2kot n THR 19 Cb 0.35 -2.31 0.41 0.00 -1.82 0.00 0.00 70.33 66.96 2kot n THR 19 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2kot n PHE 20 N -4.56 0.34 0.31 -1.42 7.35 -1.23 -3.83 117.46 114.42 2kot n PHE 20 Ca -0.14 0.10 0.17 0.00 -0.76 0.00 0.00 57.45 56.82 2kot n PHE 20 Cb 0.38 -0.59 0.71 0.00 0.35 0.00 0.00 39.48 40.33 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 -0.12 -5.13 -1.00 -1.77 -0.11 116.94 108.81 2kot h PHE 21 Ca 0.00 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 2kot h PHE 21 Cb 0.60 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.15 2kot h PHE 21 CO 0.00 0.00 -0.33 1.15 -1.61 0.00 0.00 178.31 177.52 2kot h THR 22 N 0.00 1.28 0.00 -1.55 2.02 -1.82 -3.09 112.91 109.75 2kot h THR 22 Ca 0.00 -1.33 -0.37 0.00 0.77 0.00 0.00 66.41 65.48 2kot h THR 22 Cb 0.40 1.56 -0.07 0.00 -1.74 0.00 0.00 68.15 68.30 2kot h THR 22 CO 0.00 0.40 -2.35 0.49 0.37 0.00 0.00 175.52 174.43 2kot n PHE 23 N -4.09 0.12 -0.09 3.16 3.01 -1.00 -4.49 117.46 114.09 2kot n PHE 23 Ca -0.01 0.04 0.05 0.00 1.01 0.00 0.00 57.45 58.53 2kot n PHE 23 Cb 0.42 -1.02 0.38 0.00 -0.01 0.00 0.00 39.48 39.26 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 0.69 1.69 0.00 4.37 0.00 -1.09 -2.18 119.26 122.74 2kot h ALA 24 Ca -0.53 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kot h ALA 24 Cb 2.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2kot h ALA 24 CO 0.00 0.26 0.00 0.07 0.00 0.00 0.00 179.25 179.58 2kot h ARG 25 N 0.67 0.00 -0.87 0.00 0.11 -1.69 -3.26 114.38 109.34 2kot h ARG 25 Ca 0.22 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.39 2kot h ARG 25 Cb 0.05 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.07 2kot h ARG 25 CO -0.06 0.00 0.56 0.37 0.10 0.00 0.00 179.97 180.95 2kot h GLN 26 N 0.00 0.85 -4.27 0.08 4.15 -1.63 -3.42 115.11 110.88 2kot h GLN 26 Ca 0.00 -0.05 -0.46 0.00 0.77 0.00 0.00 58.65 58.91 2kot h GLN 26 Cb 0.57 -0.19 -0.34 0.00 0.21 0.00 0.00 27.48 27.73 2kot h GLN 26 CO 0.00 0.56 -0.79 -1.21 -1.93 0.00 0.00 178.83 175.46 2kot s GLU 27 N -5.80 1.24 -0.15 1.69 0.41 -1.23 -5.00 118.70 109.86 2kot s GLU 27 Ca -0.11 -0.25 -0.04 0.00 -0.41 0.00 0.00 54.97 54.16 2kot s GLU 27 Cb 0.20 -1.11 0.02 0.00 -1.78 0.00 0.00 34.13 31.46 2kot s GLU 27 CO 0.79 -0.03 0.08 0.41 -0.49 0.00 0.00 175.26 176.02 2kot n GLY 28 N 3.95 -4.09 2.34 -1.39 0.00 -1.26 -4.34 105.19 100.39 2kot n GLY 28 Ca -0.24 0.61 0.14 0.00 0.00 0.00 0.00 46.02 46.53 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 0.76 -2.03 -0.10 1.61 3.00 -1.26 -4.18 116.66 114.45 2kot n ARG 29 Ca -0.14 1.34 -0.12 0.00 -0.01 0.00 0.00 57.85 58.91 2kot n ARG 29 Cb 0.22 -2.48 -0.15 0.00 0.00 0.00 0.00 32.46 30.05 2kot n ARG 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2kot n LYS 30 N -3.33 0.68 -1.90 5.56 4.76 -1.26 -4.49 118.16 118.17 2kot n LYS 30 Ca 0.01 0.06 -0.31 0.00 -2.87 0.00 0.00 58.31 55.19 2kot n LYS 30 Cb 0.46 -1.54 0.04 0.00 -1.84 0.00 0.00 35.03 32.15 2kot n LYS 30 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kot n ASP 31 N -2.93 6.26 -3.78 4.39 9.92 -1.26 -4.14 116.55 125.01 2kot n ASP 31 Ca -0.36 -3.77 -0.13 0.00 -0.53 0.00 0.00 54.79 50.00 2kot n ASP 31 Cb 1.10 -0.71 -0.11 0.00 -0.64 0.00 0.00 41.12 40.76 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 -2.53 -0.28 0.45 -2.24 0.15 -1.26 -4.07 113.70 103.92 2kot s SER 32 Ca 0.55 0.55 -0.10 0.00 0.70 0.00 0.00 55.95 57.65 2kot s SER 32 Cb 0.44 0.55 -0.06 0.00 -1.71 0.00 0.00 66.02 65.25 2kot s SER 32 CO -0.12 -0.10 0.81 -0.76 1.20 0.00 0.00 173.24 174.27 2kot s LEU 33 N 0.18 3.72 0.28 3.45 1.02 -0.03 -4.24 118.68 123.06 2kot s LEU 33 Ca -0.00 1.14 -0.02 0.00 0.02 0.00 0.00 54.13 55.26 2kot s LEU 33 Cb -0.02 -4.06 -0.04 0.00 0.02 0.00 0.00 46.19 42.09 2kot s LEU 33 CO 0.00 -0.49 0.51 -0.55 0.02 0.00 0.00 176.35 175.84 2kot s SER 34 N -3.44 6.39 0.49 2.29 0.15 -1.26 -0.49 113.70 117.82 2kot s SER 34 Ca 0.51 0.57 0.26 0.00 0.70 0.00 0.00 55.95 57.99 2kot s SER 34 Cb -0.10 -2.08 1.23 0.00 -1.71 0.00 0.00 66.02 63.35 2kot s SER 34 CO 0.36 -0.18 1.96 1.62 1.20 0.00 0.00 173.24 178.20 2kot h VAL 35 N 1.24 0.54 0.00 4.45 3.04 -1.95 -2.40 116.25 121.17 2kot h VAL 35 Ca -0.48 -0.80 -0.25 0.00 -1.01 0.00 0.00 66.70 64.16 2kot h VAL 35 Cb 1.20 1.54 -0.05 0.00 -2.01 0.00 0.00 31.29 31.97 2kot h VAL 35 CO 0.65 0.16 -2.16 -3.20 -1.01 0.00 0.00 177.57 172.01 2kot n ASN 36 N -3.50 0.12 0.08 3.17 5.15 -1.26 -4.28 115.26 114.74 2kot n ASN 36 Ca -0.01 0.05 -0.22 0.00 -0.60 0.00 0.00 54.58 53.80 2kot n ASN 36 Cb 0.32 1.14 -0.13 0.00 -0.53 0.00 0.00 39.78 40.59 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 0.62 -0.41 1.20 5.08 -1.95 -3.22 114.58 115.90 2kot h GLU 37 Ca -0.36 -0.82 -0.02 0.00 -1.00 0.00 0.00 59.36 57.16 2kot h GLU 37 Cb 1.84 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 31.34 2kot h GLU 37 CO 0.03 1.37 0.15 0.27 -1.00 0.00 0.00 179.01 179.82 2kot h PHE 38 N 0.26 0.58 -0.49 4.33 -0.00 -1.66 -2.69 116.94 117.27 2kot h PHE 38 Ca -0.18 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 57.67 2kot h PHE 38 Cb 1.88 -0.18 -0.02 0.00 -0.00 0.00 0.00 35.95 37.63 2kot h PHE 38 CO 0.12 0.47 -0.08 -0.22 -0.00 0.00 0.00 178.31 178.59 2kot h LYS 39 N 0.58 0.87 -0.06 6.09 3.64 -1.74 -2.95 116.57 123.00 2kot h LYS 39 Ca 0.14 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 2kot h LYS 39 Cb 0.14 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2kot h LYS 39 CO -0.01 0.92 -0.35 0.93 -2.27 0.00 0.00 179.45 178.67 2kot h GLU 40 N 0.79 0.11 -0.15 1.90 5.08 -1.49 -2.86 114.58 117.96 2kot h GLU 40 Ca 0.13 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2kot h GLU 40 Cb 0.59 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2kot h GLU 40 CO 0.04 0.45 -0.48 1.25 -1.00 0.00 0.00 179.01 179.27 2kot h LEU 41 N 0.10 0.41 -0.68 1.33 5.85 -1.35 -3.02 115.31 117.95 2kot h LEU 41 Ca 0.01 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 2kot h LEU 41 Cb 0.67 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2kot h LEU 41 CO 0.05 0.83 -0.55 0.58 -0.34 0.00 0.00 178.44 179.01 2kot h VAL 42 N 0.30 1.19 -0.84 1.05 2.07 -1.41 0.60 116.25 119.21 2kot h VAL 42 Ca 0.02 -2.02 -0.49 0.00 0.82 0.00 0.00 66.70 65.03 2kot h VAL 42 Cb 0.96 2.16 -0.27 0.00 -1.52 0.00 0.00 31.29 32.62 2kot h VAL 42 CO 0.08 0.54 0.44 0.41 0.02 0.00 0.00 177.57 179.06 2kot n THR 43 N -3.59 3.12 0.20 2.57 -1.04 -1.10 -2.84 114.28 111.62 2kot n THR 43 Ca -0.00 -2.53 0.00 0.00 -2.04 0.00 0.00 64.05 59.48 2kot n THR 43 Cb 0.62 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 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 -1.06 0.00 0.00 -2.82 7.27 -1.15 -4.98 117.38 114.64 2kot n GLN 44 Ca 0.54 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.70 2kot n GLN 44 Cb 1.23 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.86 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 -3.31 1.29 -2.75 3.69 7.27 -0.86 -4.62 117.38 118.09 2kot n GLN 45 Ca 0.00 -0.80 -0.10 0.00 0.07 0.00 0.00 57.00 56.17 2kot n GLN 45 Cb 0.00 -1.40 0.03 0.00 2.41 0.00 0.00 30.24 31.28 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 -0.26 1.01 0.04 1.69 7.94 0.15 -4.97 117.00 122.60 2kot n LEU 46 Ca 0.08 -3.91 -0.22 0.00 -1.11 0.00 0.00 56.01 50.84 2kot n LEU 46 Cb 0.40 0.46 -0.14 0.00 0.53 0.00 0.00 43.42 44.67 2kot n LEU 46 CO 0.27 1.72 -0.60 1.55 -1.11 0.00 0.00 177.39 179.22 2kot h PRO 47 N 2.92 0.32 -0.06 1.96 0.13 -1.77 -3.36 132.00 132.15 2kot h PRO 47 Ca -0.08 -0.55 -0.10 0.00 -0.87 0.00 0.00 66.00 64.40 2kot h PRO 47 Cb 1.15 0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 2kot h PRO 47 CO 0.45 1.27 -0.40 0.45 -0.23 0.00 0.00 178.00 179.53 2kot h HIS 48 N 0.00 0.15 0.51 1.56 3.86 -1.93 -3.31 115.15 115.99 2kot h HIS 48 Ca -0.36 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 58.78 2kot h HIS 48 Cb 2.01 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 30.45 2kot h HIS 48 CO 0.10 0.51 -0.25 1.25 0.86 0.00 0.00 177.93 180.41 2kot h LEU 49 N 0.11 -0.58 -8.14 2.43 5.85 -1.87 -3.38 115.31 109.73 2kot h LEU 49 Ca 0.01 0.02 -0.67 0.00 0.84 0.00 0.00 57.88 58.08 2kot h LEU 49 Cb 0.76 0.15 -0.17 0.00 0.37 0.00 0.00 40.66 41.77 2kot h LEU 49 CO 0.06 -0.32 0.47 -0.76 -0.34 0.00 0.00 178.44 177.55 2kot s LEU 50 N -7.90 4.96 0.45 2.25 1.43 -1.24 -4.66 118.68 113.97 2kot s LEU 50 Ca -0.10 -1.46 0.24 0.00 -1.03 0.00 0.00 54.13 51.77 2kot s LEU 50 Cb 0.01 -2.37 1.24 0.00 0.03 0.00 0.00 46.19 45.10 2kot s LEU 50 CO 0.30 -1.21 1.82 0.07 0.23 0.00 0.00 176.35 177.56 2kot h LYS 51 N 9.19 0.25 -4.51 1.70 2.10 -1.76 -3.29 116.57 120.26 2kot h LYS 51 Ca -0.16 -0.02 -0.74 0.00 -2.00 0.00 0.00 60.65 57.74 2kot h LYS 51 Cb 1.06 -0.06 -0.21 0.00 -0.90 0.00 0.00 32.23 32.12 2kot h LYS 51 CO 1.12 0.17 0.63 0.34 -2.00 0.00 0.00 179.45 179.71 2kot s ASP 52 N -5.41 6.77 -0.04 7.07 2.15 -1.26 -4.81 116.67 121.13 2kot s ASP 52 Ca -0.07 -2.47 0.17 0.00 0.43 0.00 0.00 52.55 50.60 2kot s ASP 52 Cb 0.24 -2.32 -0.21 0.00 -0.30 0.00 0.00 42.92 40.32 2kot s ASP 52 CO 0.79 -0.81 0.54 1.33 -0.17 0.00 0.00 175.17 176.85 2kot n VAL 53 N 4.70 1.22 -0.05 1.11 0.24 -1.24 -4.43 118.33 119.89 2kot n VAL 53 Ca 0.22 -0.74 -0.14 0.00 -2.04 0.00 0.00 64.34 61.64 2kot n VAL 53 Cb 0.47 -0.66 -0.12 0.00 -1.47 0.00 0.00 33.84 32.06 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 3.78 0.04 -6.04 7.63 0.00 -1.94 -3.38 103.07 103.15 2kot h GLY 54 Ca -0.28 -0.07 -0.80 0.00 0.00 0.00 0.00 47.33 46.18 2kot h GLY 54 CO 0.04 0.06 1.10 -1.26 0.00 0.00 0.00 176.54 176.49 2kot n SER 55 N -4.64 7.42 -3.64 0.19 2.88 -1.26 -4.87 113.62 109.70 2kot n SER 55 Ca -0.10 -3.68 -0.41 0.00 -1.33 0.00 0.00 58.87 53.35 2kot n SER 55 Cb 0.44 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2kot n SER 55 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kot n LEU 56 N -0.03 7.48 -0.05 2.46 -0.00 -1.26 -4.42 117.00 121.19 2kot n LEU 56 Ca 0.49 -4.91 -0.06 0.00 -0.00 0.00 0.00 56.01 51.52 2kot n LEU 56 Cb 0.26 -1.36 -0.05 0.00 -0.00 0.00 0.00 43.42 42.27 2kot n LEU 56 CO 0.52 1.85 -0.80 -0.90 -0.00 0.00 0.00 177.39 178.07 2kot n ASP 57 N 2.04 3.27 -0.21 1.96 5.75 -1.26 -4.10 116.55 123.99 2kot n ASP 57 Ca 0.52 -0.04 -0.08 0.00 -0.01 0.00 0.00 54.79 55.18 2kot n ASP 57 Cb 0.28 -0.03 0.03 0.00 -1.03 0.00 0.00 41.12 40.37 2kot n ASP 57 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2kot h GLU 58 N 0.00 0.90 -0.34 0.11 4.81 -2.01 -1.57 114.58 116.48 2kot h GLU 58 Ca -0.21 -0.18 -0.12 0.00 -0.13 0.00 0.00 59.36 58.72 2kot h GLU 58 Cb 1.34 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2kot h GLU 58 CO -0.03 0.80 -0.25 0.87 -0.73 0.00 0.00 179.01 179.67 2kot h LYS 59 N 0.82 0.76 -0.67 1.92 6.56 -1.89 -3.11 116.57 120.96 2kot h LYS 59 Ca 0.19 -0.37 0.07 0.00 -1.06 0.00 0.00 60.65 59.48 2kot h LYS 59 Cb 0.26 -0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.86 2kot h LYS 59 CO -0.01 0.99 0.36 1.98 -2.06 0.00 0.00 179.45 180.72 2kot h MET 60 N 0.54 0.63 -0.57 3.15 4.05 -1.66 -1.40 114.93 119.67 2kot h MET 60 Ca 0.06 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2kot h MET 60 Cb 0.81 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 2kot h MET 60 CO 0.07 0.42 0.33 0.87 0.23 0.00 0.00 176.91 178.83 2kot h LYS 61 N 0.65 0.78 -0.12 0.39 1.79 -1.31 -2.58 116.57 116.18 2kot h LYS 61 Ca 0.31 -0.07 -0.15 0.00 -2.18 0.00 0.00 60.65 58.56 2kot h LYS 61 Cb 0.24 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2kot h LYS 61 CO -0.21 0.56 -0.58 0.77 -1.08 0.00 0.00 179.45 178.91 2kot h SER 62 N 0.79 0.44 0.33 0.86 0.02 -1.22 -3.36 113.55 111.40 2kot h SER 62 Ca 0.21 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2kot h SER 62 Cb -0.01 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2kot h SER 62 CO -0.04 0.92 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.35 2kot h LEU 63 N 0.29 -0.37 -7.11 5.07 3.38 -0.94 -3.37 115.31 112.26 2kot h LEU 63 Ca -0.00 0.01 -0.70 0.00 0.09 0.00 0.00 57.88 57.28 2kot h LEU 63 Cb 1.11 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 2kot h LEU 63 CO 0.10 -0.14 2.51 -0.67 0.09 0.00 0.00 178.44 180.33 2kot n ASP 64 N -3.87 4.56 0.15 -0.43 2.03 -1.02 -4.44 116.55 113.53 2kot n ASP 64 Ca -0.05 -2.90 0.10 0.00 0.52 0.00 0.00 54.79 52.46 2kot n ASP 64 Cb 0.17 -1.70 0.07 0.00 -0.72 0.00 0.00 41.12 38.95 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 4.88 0.09 0.00 5.18 3.04 -1.73 -3.33 116.25 124.38 2kot h VAL 65 Ca 0.49 -1.15 -0.13 0.00 -1.01 0.00 0.00 66.70 64.90 2kot h VAL 65 Cb 0.78 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.85 2kot h VAL 65 CO 1.62 0.05 -0.81 -1.13 -1.01 0.00 0.00 177.57 176.29 2kot h ASN 66 N 0.00 0.00 -5.00 3.17 -1.24 -1.94 -3.49 115.58 107.08 2kot h ASN 66 Ca -0.01 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.84 2kot h ASN 66 Cb 1.06 0.00 0.13 0.00 0.73 0.00 0.00 38.32 40.24 2kot h ASN 66 CO 0.01 0.57 -0.56 0.00 -1.29 0.00 0.00 177.43 176.16 2kot n GLN 67 N -3.14 -1.69 -0.14 6.67 3.00 -1.25 -4.99 117.38 115.84 2kot n GLN 67 Ca -0.02 0.85 0.03 0.00 -0.01 0.00 0.00 57.00 57.85 2kot n GLN 67 Cb 0.78 -5.06 0.04 0.00 0.00 0.00 0.00 30.24 26.00 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 -2.65 1.15 -2.39 1.08 2.03 -1.26 -5.00 116.55 109.51 2kot n ASP 68 Ca -0.05 -2.06 -0.20 0.00 0.52 0.00 0.00 54.79 53.00 2kot n ASP 68 Cb 0.58 -0.16 -0.01 0.00 -0.72 0.00 0.00 41.12 40.80 2kot n ASP 68 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kot n SER 69 N -0.52 -5.77 -3.74 1.67 7.64 -1.26 -4.99 113.62 106.65 2kot n SER 69 Ca 0.04 0.01 -0.15 0.00 1.01 0.00 0.00 58.87 59.78 2kot n SER 69 Cb 0.52 -4.81 -0.15 0.00 -1.01 0.00 0.00 64.21 58.76 2kot n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kot s GLU 70 N -5.02 0.04 -0.97 1.43 2.02 -1.26 -4.63 118.70 110.31 2kot s GLU 70 Ca 0.00 0.35 -0.03 0.00 0.02 0.00 0.00 54.97 55.32 2kot s GLU 70 Cb 0.00 -0.23 0.27 0.00 0.10 0.00 0.00 34.13 34.27 2kot s GLU 70 CO 0.00 -0.20 1.13 1.28 0.02 0.00 0.00 175.26 177.49 2kot n LEU 71 N 4.43 5.29 -4.71 1.80 4.32 0.36 -4.88 117.00 123.60 2kot n LEU 71 Ca -0.22 -5.21 -0.30 0.00 -0.02 0.00 0.00 56.01 50.25 2kot n LEU 71 Cb 0.51 -1.16 0.14 0.00 -1.62 0.00 0.00 43.42 41.29 2kot n LEU 71 CO 0.16 1.67 0.67 -0.75 -1.22 0.00 0.00 177.39 177.92 2kot s LYS 72 N -2.16 1.35 0.60 3.23 2.20 -1.26 -0.85 119.74 122.85 2kot s LYS 72 Ca 0.32 1.05 0.29 0.00 -0.36 0.00 0.00 55.97 57.28 2kot s LYS 72 Cb 0.01 -1.80 1.64 0.00 -1.51 0.00 0.00 37.83 36.17 2kot s LYS 72 CO -0.00 -2.24 2.04 0.35 -0.36 0.00 0.00 175.35 175.14 2kot h PHE 73 N -1.56 0.00 -0.09 4.03 3.04 -1.96 0.58 116.94 120.98 2kot h PHE 73 Ca -0.47 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.32 2kot h PHE 73 Cb 1.27 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.77 2kot h PHE 73 CO 0.47 0.00 -0.62 -0.97 -2.02 0.00 0.00 178.31 175.18 2kot h ASN 74 N 0.00 0.35 0.10 0.41 -0.73 -1.94 -1.24 115.58 112.53 2kot h ASN 74 Ca 0.11 -0.20 -0.30 0.00 1.87 0.00 0.00 56.30 57.78 2kot h ASN 74 Cb 0.66 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 2kot h ASN 74 CO -0.00 0.88 -1.58 -0.33 -0.37 0.00 0.00 177.43 176.02 2kot h GLU 75 N 0.23 0.21 0.00 6.67 3.07 -1.21 -3.35 114.58 120.19 2kot h GLU 75 Ca -0.01 -0.36 -0.00 0.00 -0.50 0.00 0.00 59.36 58.49 2kot h GLU 75 Cb 1.14 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 29.18 2kot h GLU 75 CO 0.10 1.17 -0.01 -0.92 -1.40 0.00 0.00 179.01 177.96 2kot h TYR 76 N -0.30 0.00 -0.22 4.33 3.20 -0.04 -2.91 116.97 121.03 2kot h TYR 76 Ca -0.35 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.58 2kot h TYR 76 Cb 1.77 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 2kot h TYR 76 CO 0.10 0.01 0.26 2.35 -1.64 0.00 0.00 178.16 179.24 2kot h TRP 77 N 0.00 0.00 -0.29 -3.82 7.01 -1.36 -0.46 115.95 117.02 2kot h TRP 77 Ca -0.00 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2kot h TRP 77 Cb 0.26 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 2kot h TRP 77 CO 0.00 0.00 -0.07 0.00 -2.79 0.00 0.00 178.44 175.58 2kot h ARG 78 N 0.00 0.47 0.04 2.65 2.47 -1.76 -2.66 114.38 115.59 2kot h ARG 78 Ca 0.11 -0.11 -0.22 0.00 -1.26 0.00 0.00 59.98 58.49 2kot h ARG 78 Cb 0.62 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 2kot h ARG 78 CO -0.00 0.55 -1.01 1.25 0.56 0.00 0.00 179.97 181.32 2kot h LEU 79 N 0.44 0.23 -1.79 3.04 5.85 -1.32 -3.27 115.31 118.50 2kot h LEU 79 Ca 0.09 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.66 2kot h LEU 79 Cb 0.40 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2kot h LEU 79 CO 0.02 1.11 0.29 0.40 -0.34 0.00 0.00 178.44 179.92 2kot h ILE 80 N 0.07 0.91 -0.27 4.05 1.08 -1.22 0.31 117.51 122.45 2kot h ILE 80 Ca -0.06 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.28 2kot h ILE 80 Cb 1.71 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 2kot h ILE 80 CO 0.15 0.05 -0.01 1.23 -0.69 0.00 0.00 178.15 178.88 2kot h GLY 81 N 0.25 0.51 2.00 5.37 0.00 -1.57 -2.65 103.07 106.98 2kot h GLY 81 Ca 0.19 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 2kot h GLY 81 CO -0.04 0.35 -0.33 0.83 0.00 0.00 0.00 176.54 177.35 2kot h GLU 82 N 0.25 0.00 0.01 4.80 4.39 -1.46 -2.27 114.58 120.30 2kot h GLU 82 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2kot h GLU 82 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2kot h GLU 82 CO 0.01 0.33 -0.00 1.25 -1.16 0.00 0.00 179.01 179.44 2kot h LEU 83 N 0.00 -0.01 0.00 1.33 5.85 -0.23 -0.24 115.31 122.01 2kot h LEU 83 Ca -0.00 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 2kot h LEU 83 Cb 0.94 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 2kot h LEU 83 CO 0.04 0.09 -0.32 0.00 -0.34 0.00 0.00 178.44 177.91 2kot h ALA 84 N 0.88 0.84 0.12 1.25 0.00 -1.52 -3.33 119.26 117.50 2kot h ALA 84 Ca -0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 2kot h ALA 84 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kot h ALA 84 CO 0.00 0.18 -1.23 -0.22 0.00 0.00 0.00 179.25 177.98 2kot h LYS 85 N 0.00 0.26 -0.51 0.00 3.64 -1.33 -3.31 116.57 115.32 2kot h LYS 85 Ca -0.01 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2kot h LYS 85 Cb 1.11 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2kot h LYS 85 CO 0.02 1.21 0.00 0.39 -2.27 0.00 0.00 179.45 178.80 2kot n GLU 86 N -3.52 2.09 -0.04 1.90 -0.58 -0.11 -3.33 120.64 117.05 2kot n GLU 86 Ca -0.08 -1.22 -0.20 0.00 -0.42 0.00 0.00 57.16 55.23 2kot n GLU 86 Cb 1.02 -1.47 -0.13 0.00 -0.57 0.00 0.00 31.44 30.29 2kot n GLU 86 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2kot h ILE 87 N 1.81 1.13 0.00 -3.67 -0.00 -1.68 -3.34 117.51 111.76 2kot h ILE 87 Ca 0.00 -2.32 -0.36 0.00 -0.00 0.00 0.00 64.86 62.17 2kot h ILE 87 Cb 0.69 2.69 -0.07 0.00 -0.00 0.00 0.00 36.82 40.14 2kot h ILE 87 CO 0.08 0.57 -2.38 -2.11 -0.00 0.00 0.00 178.15 174.31 2kot n ARG 88 N -4.20 0.66 -2.96 2.19 0.00 -1.26 -4.69 116.66 106.41 2kot n ARG 88 Ca -0.24 0.11 -0.29 0.00 -0.00 0.00 0.00 57.85 57.43 2kot n ARG 88 Cb 0.76 -1.49 -0.04 0.00 -0.00 0.00 0.00 32.46 31.69 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 -3.12 3.48 -0.05 2.89 2.85 -1.21 -4.84 118.16 118.16 2kot n LYS 89 Ca -0.41 -4.81 0.02 0.00 -1.05 0.00 0.00 58.31 52.06 2kot n LYS 89 Cb 0.99 -2.28 0.36 0.00 -0.65 0.00 0.00 35.03 33.45 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 3.34 0.64 0.00 -1.58 2.10 -1.75 -3.37 116.57 115.95 2kot h LYS 90 Ca 0.19 -0.06 -0.21 0.00 -2.00 0.00 0.00 60.65 58.57 2kot h LYS 90 Cb 0.50 -0.14 -0.14 0.00 -0.90 0.00 0.00 32.23 31.55 2kot h LYS 90 CO 0.88 0.47 -0.47 1.17 -2.00 0.00 0.00 179.45 179.50 2kot n LYS 91 N -4.42 0.76 -0.10 0.07 4.81 -1.26 -4.96 118.16 113.06 2kot n LYS 91 Ca 0.04 -1.69 0.23 0.00 -0.87 0.00 0.00 58.31 56.02 2kot n LYS 91 Cb 0.09 -1.40 0.68 0.00 0.02 0.00 0.00 35.03 34.42 2kot n LYS 91 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2kot h ASP 92 N 3.92 0.05 -0.54 3.14 2.03 -1.72 0.26 116.42 123.57 2kot h ASP 92 Ca -0.15 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.06 2kot h ASP 92 Cb 1.04 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 39.51 2kot h ASP 92 CO 0.30 0.02 -0.02 -0.07 -1.03 0.00 0.00 179.24 178.45 2kot h LEU 93 N 0.06 0.97 0.00 0.15 3.38 -1.96 -3.34 115.31 114.57 2kot h LEU 93 Ca 0.34 -0.27 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 2kot h LEU 93 Cb 1.29 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2kot h LEU 93 CO -0.02 1.04 -1.21 0.50 0.09 0.00 0.00 178.44 178.84 2kot h LYS 94 N 0.91 0.00 -4.80 1.13 1.63 -1.81 -3.47 116.57 110.17 2kot h LYS 94 Ca 0.16 -0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.37 2kot h LYS 94 Cb 0.55 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 31.84 2kot h LYS 94 CO 0.03 1.00 -0.84 0.96 -3.45 0.00 0.00 179.45 177.15 2kot s ILE 95 N -2.36 1.56 -0.11 2.00 -4.36 0.01 -5.03 121.20 112.91 2kot s ILE 95 Ca -0.28 -0.68 0.16 0.00 -0.26 0.00 0.00 60.65 59.58 2kot s ILE 95 Cb 0.05 -1.42 0.36 0.00 1.25 0.00 0.00 42.46 42.71 2kot s ILE 95 CO 0.60 0.45 1.17 -2.11 0.24 0.00 0.00 174.94 175.29 2kot n ARG 96 N 4.18 0.91 -3.15 0.37 1.85 -1.26 -3.53 116.66 116.03 2kot n ARG 96 Ca -0.19 -2.57 0.03 0.00 -1.00 0.00 0.00 57.85 54.12 2kot n ARG 96 Cb 0.51 -1.00 -0.00 0.00 -1.05 0.00 0.00 32.46 30.92 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 -1.89 0.58 0.00 2.89 -2.85 -1.26 -5.13 119.74 112.08 2kot s LYS 97 Ca 0.32 0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.59 2kot s LYS 97 Cb 0.33 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 2kot s LYS 97 CO -0.08 -0.99 0.00 1.17 0.10 0.00 0.00 175.35 175.55