#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 2.30 -0.14 3.17 0.00 -1.26 -5.04 121.76 120.79 2kot s ALA 2 Ca 0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 2kot s ALA 2 Cb 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 2kot s ALA 2 CO 0.00 0.54 0.44 0.00 0.00 0.00 0.00 175.76 176.73 2kot s ALA 3 N -0.77 3.51 -0.04 0.00 0.00 -1.26 -5.09 121.76 118.10 2kot s ALA 3 Ca 0.12 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.83 2kot s ALA 3 Cb -0.10 -2.61 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 2kot s ALA 3 CO 0.02 -0.06 -0.21 -2.00 0.00 0.00 0.00 175.76 173.51 2kot s GLU 4 N 0.77 2.06 0.29 0.00 2.12 -1.26 -5.04 118.70 117.64 2kot s GLU 4 Ca 0.23 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 2kot s GLU 4 Cb -0.15 -1.79 -0.12 0.00 0.26 0.00 0.00 34.13 32.33 2kot s GLU 4 CO 0.09 0.32 1.46 -2.30 -0.54 0.00 0.00 175.26 174.28 2kot n PRO 5 N 2.99 2.34 0.00 4.30 -0.02 -1.26 -4.97 135.00 138.38 2kot n PRO 5 Ca -0.17 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2kot n PRO 5 Cb 0.53 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2kot n PRO 5 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kot n LEU 6 N 1.72 0.00 -4.30 2.45 4.77 -1.26 -5.04 117.00 115.34 2kot n LEU 6 Ca 0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 2kot n LEU 6 Cb 0.35 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.72 2kot n LEU 6 CO 0.63 0.00 0.38 0.35 -1.33 0.00 0.00 177.39 177.42 2kot n THR 7 N 0.00 0.00 -0.21 -5.08 -2.24 -1.26 -4.39 114.28 101.10 2kot n THR 7 Ca 0.00 -0.19 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 2kot n THR 7 Cb 0.00 -0.98 0.08 0.00 -2.10 0.00 0.00 70.33 67.33 2kot n THR 7 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kot h GLU 8 N -3.32 0.61 0.04 -0.78 4.81 -2.02 0.48 114.58 114.40 2kot h GLU 8 Ca -0.48 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 58.45 2kot h GLU 8 Cb 1.33 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2kot h GLU 8 CO 0.33 0.40 -1.07 -0.07 -0.73 0.00 0.00 179.01 177.87 2kot h LEU 9 N 0.63 0.72 -1.12 1.64 4.07 -2.01 -2.73 115.31 116.50 2kot h LEU 9 Ca 0.27 -0.61 -0.00 0.00 0.08 0.00 0.00 57.88 57.62 2kot h LEU 9 Cb 0.16 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 2kot h LEU 9 CO -0.17 1.42 -0.02 -0.33 -1.08 0.00 0.00 178.44 178.26 2kot h GLU 10 N 0.27 0.00 0.00 1.13 5.08 -1.84 -3.05 114.58 116.17 2kot h GLU 10 Ca -0.13 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 2kot h GLU 10 Cb 1.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.96 2kot h GLU 10 CO 0.20 0.02 -1.21 1.49 -1.00 0.00 0.00 179.01 178.51 2kot h GLU 11 N 0.00 0.00 0.54 2.33 4.81 -0.05 -3.23 114.58 118.98 2kot h GLU 11 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2kot h GLU 11 Cb 0.64 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 2kot h GLU 11 CO 0.00 0.35 -0.33 0.77 -0.73 0.00 0.00 179.01 179.08 2kot h SER 12 N 0.00 -0.82 0.75 1.04 0.02 -1.37 0.19 113.55 113.35 2kot h SER 12 Ca -0.12 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 2kot h SER 12 Cb 1.55 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.32 2kot h SER 12 CO 0.05 -0.52 -0.28 0.16 -1.14 0.00 0.00 176.83 175.10 2kot h ILE 13 N -0.82 0.75 -0.21 3.27 -0.00 -1.75 -3.07 117.51 115.68 2kot h ILE 13 Ca -0.06 -1.20 -0.16 0.00 -0.00 0.00 0.00 64.86 63.44 2kot h ILE 13 Cb 0.67 1.75 -0.01 0.00 -0.00 0.00 0.00 36.82 39.24 2kot h ILE 13 CO 0.06 0.28 -0.52 -0.08 -0.00 0.00 0.00 178.15 177.89 2kot h GLU 14 N 0.00 0.61 0.00 0.16 4.22 -1.49 -3.02 114.58 115.06 2kot h GLU 14 Ca -0.00 -0.37 -0.03 0.00 0.08 0.00 0.00 59.36 59.03 2kot h GLU 14 Cb 0.73 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2kot h GLU 14 CO 0.04 0.98 -0.16 1.15 -2.18 0.00 0.00 179.01 178.84 2kot h THR 15 N 0.48 1.06 -0.01 0.32 2.02 -0.54 -2.15 112.91 114.10 2kot h THR 15 Ca 0.02 -0.55 -0.13 0.00 0.77 0.00 0.00 66.41 66.52 2kot h THR 15 Cb 1.07 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 2kot h THR 15 CO 0.10 0.15 -0.63 0.58 0.37 0.00 0.00 175.52 176.09 2kot h VAL 16 N 0.00 1.45 -0.97 3.16 2.07 -1.58 -3.04 116.25 117.33 2kot h VAL 16 Ca -0.00 -2.15 -0.64 0.00 0.82 0.00 0.00 66.70 64.72 2kot h VAL 16 Cb 0.29 2.16 -0.30 0.00 -1.52 0.00 0.00 31.29 31.91 2kot h VAL 16 CO 0.02 0.62 0.73 0.52 0.02 0.00 0.00 177.57 179.48 2kot n VAL 17 N -3.79 3.49 0.03 2.57 0.31 -0.82 -4.16 118.33 115.97 2kot n VAL 17 Ca -0.01 -2.85 0.00 0.00 -0.01 0.00 0.00 64.34 61.46 2kot n VAL 17 Cb 0.63 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 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 -0.95 0.00 -0.16 2.52 -2.24 -1.19 -4.56 114.28 107.70 2kot n THR 18 Ca 0.61 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.28 2kot n THR 18 Cb 0.83 -0.42 -0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2kot n THR 18 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2kot h THR 19 N 0.00 1.27 -0.81 4.28 2.02 -1.76 -3.20 112.91 114.72 2kot h THR 19 Ca 0.00 -1.19 -0.54 0.00 0.77 0.00 0.00 66.41 65.44 2kot h THR 19 Cb 0.00 1.07 -0.31 0.00 -1.74 0.00 0.00 68.15 67.17 2kot h THR 19 CO 0.00 0.41 0.11 0.33 0.37 0.00 0.00 175.52 176.74 2kot n PHE 20 N -4.26 2.71 -0.06 3.16 7.35 -1.26 -4.56 117.46 120.53 2kot n PHE 20 Ca 0.00 -2.44 -0.15 0.00 -0.76 0.00 0.00 57.45 54.11 2kot n PHE 20 Cb 0.37 -0.88 -0.14 0.00 0.35 0.00 0.00 39.48 39.18 2kot n PHE 20 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2kot n PHE 21 N -0.90 0.57 0.14 -5.13 7.35 -1.21 -3.26 117.46 115.02 2kot n PHE 21 Ca 0.51 0.16 -0.01 0.00 -0.76 0.00 0.00 57.45 57.35 2kot n PHE 21 Cb 0.90 -1.09 0.19 0.00 0.35 0.00 0.00 39.48 39.84 2kot n PHE 21 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2kot h THR 22 N 0.02 1.42 0.01 -2.13 2.02 -1.80 -3.18 112.91 109.26 2kot h THR 22 Ca -0.46 -1.99 -0.27 0.00 0.77 0.00 0.00 66.41 64.46 2kot h THR 22 Cb 2.05 2.07 -0.04 0.00 -1.74 0.00 0.00 68.15 70.49 2kot h THR 22 CO 0.03 0.57 -1.45 -0.26 0.37 0.00 0.00 175.52 174.77 2kot h PHE 23 N 0.01 0.05 0.00 3.16 0.04 -1.86 -3.34 116.94 115.00 2kot h PHE 23 Ca -0.01 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2kot h PHE 23 Cb 1.03 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 2kot h PHE 23 CO 0.00 1.06 0.00 0.00 -0.60 0.00 0.00 178.31 178.77 2kot n ALA 24 N -2.50 1.84 0.29 2.45 0.00 -1.20 -3.28 120.51 118.11 2kot n ALA 24 Ca -0.11 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.46 2kot n ALA 24 Cb 1.01 -1.42 0.23 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.29 2.40 -0.02 0.00 1.85 -1.20 -4.33 116.66 113.06 2kot n ARG 25 Ca 0.03 -1.86 -0.17 0.00 -1.00 0.00 0.00 57.85 54.84 2kot n ARG 25 Cb 0.29 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 30.14 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 2.91 0.73 0.00 2.89 4.15 -1.77 -3.47 115.11 120.56 2kot h GLN 26 Ca 0.00 -0.61 -0.08 0.00 0.77 0.00 0.00 58.65 58.73 2kot h GLN 26 Cb 0.80 0.13 0.01 0.00 0.21 0.00 0.00 27.48 28.63 2kot h GLN 26 CO 0.05 1.22 -0.00 0.39 -1.93 0.00 0.00 178.83 178.56 2kot n GLU 27 N -4.00 0.78 -1.57 1.69 -0.58 -1.26 -5.07 120.64 110.62 2kot n GLU 27 Ca -0.08 -0.51 -0.39 0.00 -0.42 0.00 0.00 57.16 55.77 2kot n GLU 27 Cb 0.72 -0.07 0.04 0.00 -0.57 0.00 0.00 31.44 31.56 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 3.76 -0.61 1.20 0.62 0.00 -1.26 -4.75 105.19 104.15 2kot n GLY 28 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.52 -3.41 0.08 1.61 3.00 -1.26 -4.70 116.66 111.46 2kot n ARG 29 Ca 0.12 2.52 -0.15 0.00 -0.01 0.00 0.00 57.85 60.33 2kot n ARG 29 Cb 0.46 -2.82 -0.08 0.00 0.00 0.00 0.00 32.46 30.02 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 1.45 0.39 -2.04 5.56 1.79 -1.88 -3.35 116.57 118.49 2kot h LYS 30 Ca 0.00 -0.49 -0.71 0.00 -2.18 0.00 0.00 60.65 57.27 2kot h LYS 30 Cb 0.00 0.16 -0.33 0.00 -1.58 0.00 0.00 32.23 30.48 2kot h LYS 30 CO 0.00 1.17 0.40 -0.25 -1.08 0.00 0.00 179.45 179.68 2kot n ASP 31 N -3.68 6.37 -3.77 0.86 8.00 -1.26 -4.40 116.55 118.66 2kot n ASP 31 Ca -0.08 -3.74 -0.13 0.00 0.71 0.00 0.00 54.79 51.55 2kot n ASP 31 Cb 0.91 -0.89 -0.11 0.00 -0.02 0.00 0.00 41.12 41.01 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 -2.08 -0.30 -0.09 -2.24 0.15 -1.26 -3.41 113.70 104.48 2kot s SER 32 Ca 0.47 0.58 -0.08 0.00 0.70 0.00 0.00 55.95 57.61 2kot s SER 32 Cb 0.32 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 65.17 2kot s SER 32 CO -0.23 -0.10 0.20 -0.76 1.20 0.00 0.00 173.24 173.54 2kot s LEU 33 N 0.16 4.40 0.47 3.45 1.02 0.11 -4.51 118.68 123.78 2kot s LEU 33 Ca -0.00 0.56 -0.18 0.00 0.02 0.00 0.00 54.13 54.52 2kot s LEU 33 Cb -0.02 -2.22 -0.09 0.00 0.02 0.00 0.00 46.19 43.87 2kot s LEU 33 CO 0.00 0.38 0.96 -0.55 0.02 0.00 0.00 176.35 177.16 2kot s SER 34 N -1.13 6.76 0.42 2.29 0.15 -1.26 -0.36 113.70 120.58 2kot s SER 34 Ca 0.18 1.61 0.10 0.00 0.70 0.00 0.00 55.95 58.54 2kot s SER 34 Cb -0.13 -2.52 0.91 0.00 -1.71 0.00 0.00 66.02 62.58 2kot s SER 34 CO 0.07 -0.48 2.02 1.62 1.20 0.00 0.00 173.24 177.67 2kot h VAL 35 N 1.37 1.11 0.07 4.45 3.04 -1.95 -1.39 116.25 122.95 2kot h VAL 35 Ca -0.48 -0.40 -0.33 0.00 -1.01 0.00 0.00 66.70 64.48 2kot h VAL 35 Cb 1.18 0.91 -0.03 0.00 -2.01 0.00 0.00 31.29 31.34 2kot h VAL 35 CO 0.61 0.14 -1.85 -3.20 -1.01 0.00 0.00 177.57 172.27 2kot n ASN 36 N -4.40 1.52 -0.09 3.17 5.15 -1.26 -3.59 115.26 115.75 2kot n ASN 36 Ca 0.00 0.32 -0.14 0.00 -0.60 0.00 0.00 54.58 54.16 2kot n ASN 36 Cb 0.16 -0.49 -0.04 0.00 -0.53 0.00 0.00 39.78 38.88 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 0.04 0.83 -0.07 1.20 5.08 -1.93 -3.09 114.58 116.64 2kot h GLU 37 Ca -0.35 -0.49 -0.13 0.00 -1.00 0.00 0.00 59.36 57.39 2kot h GLU 37 Cb 2.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 2kot h GLU 37 CO 0.09 1.12 -0.53 0.27 -1.00 0.00 0.00 179.01 178.96 2kot h PHE 38 N 0.61 0.25 -0.42 4.33 -5.15 -1.45 -2.91 116.94 112.20 2kot h PHE 38 Ca 0.03 -0.08 0.00 0.00 -0.20 0.00 0.00 57.97 57.72 2kot h PHE 38 Cb 1.03 -0.05 -0.02 0.00 0.22 0.00 0.00 35.95 37.13 2kot h PHE 38 CO 0.07 0.69 0.26 -0.22 -2.00 0.00 0.00 178.31 177.11 2kot h LYS 39 N 0.16 0.56 0.00 6.09 3.64 -1.60 -2.33 116.57 123.09 2kot h LYS 39 Ca 0.00 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 2kot h LYS 39 Cb 0.98 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 2kot h LYS 39 CO 0.08 0.39 -0.94 0.93 -2.27 0.00 0.00 179.45 177.63 2kot h GLU 40 N 0.57 0.00 -0.17 1.90 5.08 -1.46 -3.24 114.58 117.27 2kot h GLU 40 Ca 0.15 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2kot h GLU 40 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2kot h GLU 40 CO -0.03 0.88 -0.38 1.25 -1.00 0.00 0.00 179.01 179.73 2kot h LEU 41 N 0.00 0.39 -0.16 1.33 5.85 -1.24 -1.64 115.31 119.84 2kot h LEU 41 Ca -0.02 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2kot h LEU 41 Cb 1.71 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 2kot h LEU 41 CO 0.12 0.73 -0.03 0.58 -0.34 0.00 0.00 178.44 179.50 2kot h VAL 42 N 0.32 0.05 0.00 1.05 2.07 -1.57 -1.03 116.25 117.14 2kot h VAL 42 Ca 0.03 -1.02 -0.26 0.00 0.82 0.00 0.00 66.70 66.27 2kot h VAL 42 Cb 0.81 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 2kot h VAL 42 CO 0.06 0.03 -1.72 0.41 0.02 0.00 0.00 177.57 176.37 2kot n THR 43 N -3.11 1.45 -0.09 2.57 -1.04 -1.11 -2.63 114.28 110.33 2kot n THR 43 Ca 0.03 -0.77 -0.16 0.00 -2.04 0.00 0.00 64.05 61.11 2kot n THR 43 Cb 0.52 -0.88 -0.05 0.00 -1.82 0.00 0.00 70.33 68.10 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 -2.96 0.42 0.01 -2.82 7.27 -0.63 -4.46 117.38 114.22 2kot n GLN 44 Ca -0.17 0.18 0.11 0.00 0.07 0.00 0.00 57.00 57.19 2kot n GLN 44 Cb 1.00 -1.22 0.04 0.00 2.41 0.00 0.00 30.24 32.47 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 -4.04 0.15 -2.52 3.69 7.27 -0.89 -4.47 117.38 116.58 2kot n GLN 45 Ca -0.29 -0.01 -0.12 0.00 0.07 0.00 0.00 57.00 56.65 2kot n GLN 45 Cb 0.64 -1.55 0.03 0.00 2.41 0.00 0.00 30.24 31.77 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 -1.74 2.94 0.11 1.69 7.94 -0.44 -4.92 117.00 122.58 2kot n LEU 46 Ca 0.03 -3.91 -0.21 0.00 -1.11 0.00 0.00 56.01 50.81 2kot n LEU 46 Cb 0.39 0.11 -0.13 0.00 0.53 0.00 0.00 43.42 44.32 2kot n LEU 46 CO 0.40 1.58 -0.10 1.55 -1.11 0.00 0.00 177.39 179.71 2kot h PRO 47 N 2.53 0.52 0.00 1.96 0.13 -1.72 -3.26 132.00 132.15 2kot h PRO 47 Ca 0.07 -0.77 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2kot h PRO 47 Cb 1.30 0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.70 2kot h PRO 47 CO 0.48 1.35 -0.07 0.45 -0.23 0.00 0.00 178.00 179.98 2kot h HIS 48 N 0.20 0.00 0.02 1.56 3.86 -1.91 -3.38 115.15 115.50 2kot h HIS 48 Ca -0.19 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2kot h HIS 48 Cb 1.98 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.45 2kot h HIS 48 CO 0.11 0.00 -0.01 1.25 0.86 0.00 0.00 177.93 180.14 2kot h LEU 49 N 0.00 -0.02 -8.46 2.43 5.85 -1.89 -3.43 115.31 109.80 2kot h LEU 49 Ca 0.00 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.07 2kot h LEU 49 Cb 0.81 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.69 2kot h LEU 49 CO 0.00 0.12 0.26 -0.76 -0.34 0.00 0.00 178.44 177.72 2kot s LEU 50 N -5.29 4.56 0.63 2.25 1.43 -1.23 -4.62 118.68 116.41 2kot s LEU 50 Ca -0.00 -0.60 0.36 0.00 -1.03 0.00 0.00 54.13 52.85 2kot s LEU 50 Cb 0.00 -2.64 2.05 0.00 0.03 0.00 0.00 46.19 45.63 2kot s LEU 50 CO 0.01 -1.00 2.26 0.07 0.23 0.00 0.00 176.35 177.92 2kot h LYS 51 N 9.10 0.00 -3.97 1.70 -0.00 -1.83 -3.32 116.57 118.25 2kot h LYS 51 Ca -0.27 0.00 -0.72 0.00 -0.00 0.00 0.00 60.65 59.66 2kot h LYS 51 Cb 1.09 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 33.24 2kot h LYS 51 CO 1.00 0.00 2.79 -0.25 -0.00 0.00 0.00 179.45 182.99 2kot n ASP 52 N -3.45 4.25 0.10 7.07 8.00 -1.26 -4.67 116.55 126.58 2kot n ASP 52 Ca -0.02 -2.91 -0.18 0.00 0.71 0.00 0.00 54.79 52.38 2kot n ASP 52 Cb 0.13 -1.62 -0.14 0.00 -0.02 0.00 0.00 41.12 39.47 2kot n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2kot h VAL 53 N 4.01 1.30 0.00 2.53 -1.51 -1.89 -3.40 116.25 117.29 2kot h VAL 53 Ca 0.52 -2.87 -0.04 0.00 -1.23 0.00 0.00 66.70 63.08 2kot h VAL 53 Cb 0.65 2.89 -0.01 0.00 -2.13 0.00 0.00 31.29 32.69 2kot h VAL 53 CO 1.80 0.85 -0.30 1.23 -1.23 0.00 0.00 177.57 179.92 2kot h GLY 54 N 1.32 0.00 -7.83 5.19 0.00 -1.95 -3.41 103.07 96.39 2kot h GLY 54 Ca -0.21 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.43 2kot h GLY 54 CO 0.20 0.00 2.08 -0.45 0.00 0.00 0.00 176.54 178.37 2kot s SER 55 N -6.04 6.87 -0.95 0.19 0.15 -1.26 -4.85 113.70 107.81 2kot s SER 55 Ca -0.14 -2.53 -0.01 0.00 0.70 0.00 0.00 55.95 53.97 2kot s SER 55 Cb 0.00 -2.55 0.30 0.00 -1.71 0.00 0.00 66.02 62.06 2kot s SER 55 CO 0.38 -1.11 1.38 -0.11 1.20 0.00 0.00 173.24 174.98 2kot n LEU 56 N 7.98 5.98 0.00 3.45 -0.00 -1.26 -4.55 117.00 128.60 2kot n LEU 56 Ca 0.47 -5.33 0.00 0.00 -0.00 0.00 0.00 56.01 51.15 2kot n LEU 56 Cb 0.46 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.79 2kot n LEU 56 CO 0.75 1.88 -0.25 -0.90 -0.00 0.00 0.00 177.39 178.87 2kot n ASP 57 N 0.85 1.55 -0.10 1.96 5.75 -1.26 -4.66 116.55 120.64 2kot n ASP 57 Ca 0.31 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 55.07 2kot n ASP 57 Cb 0.34 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.66 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 0.76 -0.93 0.11 4.81 -2.01 -2.35 114.58 114.96 2kot h GLU 58 Ca 0.00 -0.14 -0.49 0.00 -0.13 0.00 0.00 59.36 58.60 2kot h GLU 58 Cb 0.50 -0.12 -0.29 0.00 0.63 0.00 0.00 28.75 29.47 2kot h GLU 58 CO 0.00 0.68 0.58 1.63 -0.73 0.00 0.00 179.01 181.17 2kot n LYS 59 N -4.29 2.22 0.00 1.92 4.01 -1.26 -3.82 118.16 116.94 2kot n LYS 59 Ca 0.04 -3.05 0.00 0.00 -0.51 0.00 0.00 58.31 54.79 2kot n LYS 59 Cb 0.21 -2.14 0.00 0.00 -0.51 0.00 0.00 35.03 32.59 2kot n LYS 59 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 2kot n MET 60 N -1.14 0.00 0.08 1.97 1.56 -0.91 -4.63 117.12 114.06 2kot n MET 60 Ca 0.57 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.90 2kot n MET 60 Cb 1.57 -0.58 -0.03 0.00 2.15 0.00 0.00 33.22 36.33 2kot n MET 60 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 2kot h LYS 61 N 0.00 0.20 0.00 2.12 1.79 -1.71 -3.00 116.57 115.97 2kot h LYS 61 Ca 0.00 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 2kot h LYS 61 Cb 0.96 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2kot h LYS 61 CO 0.00 1.00 -0.14 0.77 -1.08 0.00 0.00 179.45 180.00 2kot h SER 62 N 0.10 0.00 0.06 0.86 0.02 -1.81 -3.15 113.55 109.64 2kot h SER 62 Ca -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2kot h SER 62 Cb 1.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2kot h SER 62 CO 0.14 0.14 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.87 2kot h LEU 63 N 0.00 -0.07 -7.30 5.07 3.38 -1.77 -3.40 115.31 111.23 2kot h LEU 63 Ca -0.00 -0.22 -0.74 0.00 0.09 0.00 0.00 57.88 57.01 2kot h LEU 63 Cb 0.26 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 40.87 2kot h LEU 63 CO 0.02 0.52 1.68 -0.67 0.09 0.00 0.00 178.44 180.07 2kot n ASP 64 N -4.80 5.12 0.00 -0.43 2.03 -1.14 -4.48 116.55 112.85 2kot n ASP 64 Ca -0.03 -3.01 0.11 0.00 0.52 0.00 0.00 54.79 52.38 2kot n ASP 64 Cb 0.14 -1.56 0.06 0.00 -0.72 0.00 0.00 41.12 39.04 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 4.37 0.00 0.20 5.18 3.14 -1.22 -4.18 118.33 125.82 2kot n VAL 65 Ca 0.39 -0.01 0.12 0.00 -2.96 0.00 0.00 64.34 61.88 2kot n VAL 65 Cb 0.41 0.62 0.06 0.00 -1.06 0.00 0.00 33.84 33.87 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 0.00 0.00 -4.90 6.55 -1.24 -1.92 -3.50 115.58 110.58 2kot h ASN 66 Ca 0.00 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2kot h ASN 66 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 2kot h ASN 66 CO 0.00 0.02 -0.25 0.00 -1.29 0.00 0.00 177.43 175.91 2kot n GLN 67 N -2.65 -1.62 -0.75 6.67 3.00 -1.26 -5.02 117.38 115.76 2kot n GLN 67 Ca 0.01 1.64 0.01 0.00 -0.01 0.00 0.00 57.00 58.64 2kot n GLN 67 Cb 0.53 -4.97 0.00 0.00 0.00 0.00 0.00 30.24 25.80 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 -0.84 0.20 0.00 1.08 2.03 -1.26 -5.06 116.55 112.69 2kot n ASP 68 Ca 0.06 -1.91 0.00 0.00 0.52 0.00 0.00 54.79 53.46 2kot n ASP 68 Cb 0.43 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 2kot n ASP 68 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kot n SER 69 N 0.11 0.00 -4.78 1.67 2.88 -1.26 -4.87 113.62 107.37 2kot n SER 69 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.18 2kot n SER 69 Cb 0.78 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.00 4.42 -0.73 -1.46 8.01 -1.26 -4.24 118.70 123.44 2kot s GLU 70 Ca 0.00 1.42 -0.12 0.00 0.01 0.00 0.00 54.97 56.28 2kot s GLU 70 Cb 0.00 -2.71 0.19 0.00 -4.31 0.00 0.00 34.13 27.30 2kot s GLU 70 CO 0.00 0.11 0.65 -0.51 0.01 0.00 0.00 175.26 175.52 2kot s LEU 71 N -2.26 6.39 0.94 1.80 1.02 0.51 -4.98 118.68 122.10 2kot s LEU 71 Ca 0.53 -2.53 -0.11 0.00 0.02 0.00 0.00 54.13 52.04 2kot s LEU 71 Cb -0.20 -2.15 0.16 0.00 0.02 0.00 0.00 46.19 44.02 2kot s LEU 71 CO 0.26 -0.59 1.11 -0.75 0.02 0.00 0.00 176.35 176.40 2kot s LYS 72 N 0.42 0.85 0.61 1.70 2.47 -1.26 -0.72 119.74 123.81 2kot s LYS 72 Ca 0.15 1.30 0.31 0.00 -1.56 0.00 0.00 55.97 56.17 2kot s LYS 72 Cb -0.16 -1.73 1.77 0.00 -1.46 0.00 0.00 37.83 36.26 2kot s LYS 72 CO -0.06 -2.66 2.12 0.35 0.16 0.00 0.00 175.35 175.26 2kot h PHE 73 N -1.88 0.00 -0.04 4.03 3.04 -1.95 0.39 116.94 120.52 2kot h PHE 73 Ca -0.47 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.35 2kot h PHE 73 Cb 1.28 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.77 2kot h PHE 73 CO 0.46 0.00 -0.55 -0.97 -2.02 0.00 0.00 178.31 175.23 2kot h ASN 74 N 0.00 0.15 0.08 0.41 -0.73 -1.91 0.14 115.58 113.72 2kot h ASN 74 Ca 0.06 -0.08 -0.21 0.00 1.87 0.00 0.00 56.30 57.95 2kot h ASN 74 Cb 0.43 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.98 2kot h ASN 74 CO -0.00 0.67 -1.06 -0.33 -0.37 0.00 0.00 177.43 176.34 2kot h GLU 75 N 0.10 0.18 0.00 6.67 3.07 -0.94 -3.33 114.58 120.33 2kot h GLU 75 Ca -0.00 -0.30 -0.00 0.00 -0.50 0.00 0.00 59.36 58.55 2kot h GLU 75 Cb 1.00 0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2kot h GLU 75 CO 0.08 1.15 -0.01 -0.92 -1.40 0.00 0.00 179.01 177.91 2kot h TYR 76 N -0.53 0.00 -0.92 4.33 3.20 -0.43 -3.09 116.97 119.53 2kot h TYR 76 Ca -0.23 0.00 0.26 0.00 3.14 0.00 0.00 58.73 61.90 2kot h TYR 76 Cb 1.55 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 39.66 2kot h TYR 76 CO 0.16 0.01 0.21 2.35 -1.64 0.00 0.00 178.16 179.24 2kot h TRP 77 N 0.00 0.29 -0.10 -3.82 7.01 -1.07 -0.57 115.95 117.69 2kot h TRP 77 Ca -0.00 0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 2kot h TRP 77 Cb 0.09 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 2kot h TRP 77 CO 0.00 -0.29 -0.08 0.00 -2.79 0.00 0.00 178.44 175.27 2kot h ARG 78 N 0.13 0.14 0.08 2.65 2.47 -1.79 -2.85 114.38 115.21 2kot h ARG 78 Ca 0.59 -0.02 -0.25 0.00 -1.26 0.00 0.00 59.98 59.04 2kot h ARG 78 Cb 1.25 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 2kot h ARG 78 CO -0.74 0.23 -1.13 1.25 0.56 0.00 0.00 179.97 180.15 2kot h LEU 79 N 0.14 0.27 -1.55 3.04 5.85 -1.34 -3.28 115.31 118.44 2kot h LEU 79 Ca 0.03 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2kot h LEU 79 Cb 0.24 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2kot h LEU 79 CO 0.01 1.21 0.19 0.40 -0.34 0.00 0.00 178.44 179.92 2kot h ILE 80 N 0.05 1.12 -0.54 4.05 1.08 -1.25 -0.38 117.51 121.64 2kot h ILE 80 Ca -0.08 -0.31 -0.08 0.00 -0.39 0.00 0.00 64.86 64.00 2kot h ILE 80 Cb 1.87 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.23 2kot h ILE 80 CO 0.17 0.13 0.02 1.23 -0.69 0.00 0.00 178.15 179.02 2kot h GLY 81 N 0.58 1.01 2.00 5.37 0.00 -1.60 -2.98 103.07 107.45 2kot h GLY 81 Ca 0.13 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 2kot h GLY 81 CO -0.02 0.67 -0.45 0.83 0.00 0.00 0.00 176.54 177.57 2kot h GLU 82 N 0.81 0.00 0.40 4.80 4.39 -1.47 -2.54 114.58 120.96 2kot h GLU 82 Ca 0.16 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 2kot h GLU 82 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2kot h GLU 82 CO 0.02 0.45 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.03 2kot h LEU 83 N 0.00 -0.52 0.00 1.33 4.07 -0.93 -0.85 115.31 118.41 2kot h LEU 83 Ca -0.00 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 2kot h LEU 83 Cb 1.00 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 2kot h LEU 83 CO 0.06 -0.35 -0.23 0.00 -1.08 0.00 0.00 178.44 176.84 2kot h ALA 84 N 0.02 0.87 0.17 1.53 0.00 -1.62 -3.30 119.26 116.92 2kot h ALA 84 Ca -0.05 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.40 2kot h ALA 84 Cb 0.45 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2kot h ALA 84 CO 0.07 0.21 -1.35 -0.22 0.00 0.00 0.00 179.25 177.96 2kot h LYS 85 N 0.00 0.35 -1.08 0.00 3.64 -1.42 -3.33 116.57 114.73 2kot h LYS 85 Ca -0.00 -0.60 -0.45 0.00 -1.27 0.00 0.00 60.65 58.32 2kot h LYS 85 Cb 1.13 0.22 -0.24 0.00 -0.41 0.00 0.00 32.23 32.94 2kot h LYS 85 CO 0.02 1.28 0.57 0.39 -2.27 0.00 0.00 179.45 179.44 2kot n GLU 86 N -3.58 2.09 -0.12 1.90 -0.58 -0.33 -3.91 120.64 116.11 2kot n GLU 86 Ca -0.12 -2.42 -0.19 0.00 -0.42 0.00 0.00 57.16 54.01 2kot n GLU 86 Cb 1.05 -1.95 -0.10 0.00 -0.57 0.00 0.00 31.44 29.88 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 -0.64 1.30 -0.10 -3.67 0.00 -1.24 -4.41 119.36 110.59 2kot n ILE 87 Ca 0.47 -0.44 -0.14 0.00 0.00 0.00 0.00 62.75 62.64 2kot n ILE 87 Cb 1.14 -1.47 -0.11 0.00 0.00 0.00 0.00 39.64 39.20 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 -3.47 0.70 -2.90 9.51 0.00 -1.26 -4.73 116.66 114.51 2kot n ARG 88 Ca -0.42 0.10 -0.25 0.00 -0.00 0.00 0.00 57.85 57.28 2kot n ARG 88 Cb 0.90 -1.44 -0.03 0.00 -0.00 0.00 0.00 32.46 31.88 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 -3.03 2.77 0.04 2.89 2.85 -1.25 -4.86 118.16 117.56 2kot n LYS 89 Ca -0.37 -4.47 0.00 0.00 -1.05 0.00 0.00 58.31 52.43 2kot n LYS 89 Cb 0.95 -2.10 0.31 0.00 -0.65 0.00 0.00 35.03 33.54 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 2.92 0.43 -2.07 -1.58 -0.00 -1.77 -3.34 116.57 111.16 2kot h LYS 90 Ca 0.14 -0.10 -0.53 0.00 -0.00 0.00 0.00 60.65 60.16 2kot h LYS 90 Cb 0.68 -0.06 -0.35 0.00 -0.00 0.00 0.00 32.23 32.50 2kot h LYS 90 CO 0.75 0.52 -0.95 1.63 -0.00 0.00 0.00 179.45 181.40 2kot n LYS 91 N -4.26 0.36 -0.02 0.07 5.02 -1.26 -5.01 118.16 113.05 2kot n LYS 91 Ca 0.01 -3.03 0.07 0.00 -2.02 0.00 0.00 58.31 53.34 2kot n LYS 91 Cb 0.27 -1.54 0.46 0.00 -0.02 0.00 0.00 35.03 34.21 2kot n LYS 91 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2kot h ASP 92 N 5.14 0.41 0.86 4.39 2.03 -1.69 0.35 116.42 127.91 2kot h ASP 92 Ca 0.19 -0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.39 2kot h ASP 92 Cb 0.93 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.32 2kot h ASP 92 CO 0.36 0.28 -0.46 0.25 -1.03 0.00 0.00 179.24 178.63 2kot h LEU 93 N 0.47 0.00 0.00 0.15 5.85 -1.95 -3.39 115.31 116.45 2kot h LEU 93 Ca 0.20 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 2kot h LEU 93 Cb 0.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2kot h LEU 93 CO -0.05 0.46 -1.22 1.17 -0.34 0.00 0.00 178.44 178.46 2kot n LYS 94 N -3.55 0.47 -4.35 1.25 3.00 -0.89 -4.99 118.16 109.09 2kot n LYS 94 Ca -0.00 0.19 -0.34 0.00 -0.00 0.00 0.00 58.31 58.16 2kot n LYS 94 Cb 0.57 -1.32 -0.14 0.00 0.00 0.00 0.00 35.03 34.14 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 -2.70 3.10 -0.29 3.15 -4.36 0.12 -5.00 121.20 115.21 2kot s ILE 95 Ca -0.27 -0.61 0.20 0.00 -0.26 0.00 0.00 60.65 59.71 2kot s ILE 95 Cb 0.06 -2.35 0.48 0.00 1.25 0.00 0.00 42.46 41.90 2kot s ILE 95 CO 0.38 0.48 1.14 -2.11 0.24 0.00 0.00 174.94 175.08 2kot n ARG 96 N 4.15 1.55 -3.19 0.37 1.85 -1.26 -3.86 116.66 116.26 2kot n ARG 96 Ca -0.18 -3.13 -0.02 0.00 -1.00 0.00 0.00 57.85 53.52 2kot n ARG 96 Cb 0.52 -1.24 -0.02 0.00 -1.05 0.00 0.00 32.46 30.67 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 -3.06 0.82 0.00 2.89 -2.85 -1.26 -5.17 119.74 111.11 2kot s LYS 97 Ca 0.25 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 2kot s LYS 97 Cb 0.37 -0.04 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 2kot s LYS 97 CO -0.04 -1.21 0.00 1.63 0.10 0.00 0.00 175.35 175.84