#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 3.85 -0.18 3.17 0.00 -1.26 -5.04 121.76 122.31 2kot s ALA 2 Ca 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 2kot s ALA 2 Cb 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.23 2kot s ALA 2 CO 0.00 0.26 -0.15 0.00 0.00 0.00 0.00 175.76 175.87 2kot s ALA 3 N -2.00 2.48 -0.03 0.00 0.00 -1.26 -5.13 121.76 115.82 2kot s ALA 3 Ca 0.37 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 51.27 2kot s ALA 3 Cb -0.10 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 2kot s ALA 3 CO 0.31 -0.22 -0.26 -2.00 0.00 0.00 0.00 175.76 173.59 2kot s GLU 4 N 1.12 2.19 0.15 0.00 2.12 -1.26 -4.93 118.70 118.08 2kot s GLU 4 Ca 0.00 -0.92 -0.23 0.00 0.36 0.00 0.00 54.97 54.18 2kot s GLU 4 Cb -0.14 -2.07 -0.08 0.00 0.26 0.00 0.00 34.13 32.10 2kot s GLU 4 CO -0.05 0.53 0.72 -1.25 -0.54 0.00 0.00 175.26 174.67 2kot s PRO 5 N -0.54 4.46 0.19 4.30 0.04 -1.26 -4.97 135.00 137.22 2kot s PRO 5 Ca 0.08 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2kot s PRO 5 Cb -0.11 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2kot s PRO 5 CO -0.00 0.58 0.00 1.28 0.04 0.00 0.00 177.00 178.90 2kot n LEU 6 N 1.58 0.19 -4.78 -3.56 4.77 -1.26 -5.04 117.00 108.90 2kot n LEU 6 Ca -0.07 0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 2kot n LEU 6 Cb 0.49 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2kot n LEU 6 CO 0.45 -0.70 -0.22 -0.89 -1.33 0.00 0.00 177.39 174.70 2kot s THR 7 N -2.00 4.26 0.20 -5.08 2.01 -1.26 -4.99 115.64 108.77 2kot s THR 7 Ca 0.00 -1.38 -0.11 0.00 0.31 0.00 0.00 61.69 60.51 2kot s THR 7 Cb 0.00 -3.24 0.11 0.00 0.01 0.00 0.00 72.50 69.38 2kot s THR 7 CO 0.00 -0.26 1.79 -0.08 -0.69 0.00 0.00 174.62 175.38 2kot h GLU 8 N 1.93 0.56 -0.04 4.92 4.81 -2.00 0.13 114.58 124.89 2kot h GLU 8 Ca -0.48 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.59 2kot h GLU 8 Cb 1.23 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2kot h GLU 8 CO 0.61 0.37 -0.56 -0.07 -0.73 0.00 0.00 179.01 178.63 2kot h LEU 9 N 0.57 0.15 -0.51 1.64 3.38 -2.01 -2.68 115.31 115.85 2kot h LEU 9 Ca 0.27 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 2kot h LEU 9 Cb 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2kot h LEU 9 CO -0.18 0.68 -0.70 -0.33 0.09 0.00 0.00 178.44 178.00 2kot h GLU 10 N 0.10 0.24 0.00 1.13 5.08 -1.84 -3.12 114.58 116.17 2kot h GLU 10 Ca -0.00 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2kot h GLU 10 Cb 1.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2kot h GLU 10 CO 0.08 0.84 -0.34 1.49 -1.00 0.00 0.00 179.01 180.09 2kot h GLU 11 N 0.16 0.00 -0.66 2.33 4.81 -0.60 -1.86 114.58 118.77 2kot h GLU 11 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2kot h GLU 11 Cb 1.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2kot h GLU 11 CO 0.11 0.34 0.33 0.77 -0.73 0.00 0.00 179.01 179.83 2kot h SER 12 N 0.00 0.84 0.73 1.04 0.02 -1.41 -0.39 113.55 114.38 2kot h SER 12 Ca -0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2kot h SER 12 Cb 0.76 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2kot h SER 12 CO 0.04 0.72 -0.63 2.30 -1.14 0.00 0.00 176.83 178.12 2kot n ILE 13 N -4.50 0.24 0.05 3.27 -6.64 -1.18 -4.09 119.36 106.51 2kot n ILE 13 Ca 0.05 -0.20 -0.22 0.00 -1.77 0.00 0.00 62.75 60.62 2kot n ILE 13 Cb 0.11 -0.00 -0.15 0.00 -1.44 0.00 0.00 39.64 38.16 2kot n ILE 13 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 2kot h GLU 14 N 0.00 0.32 -0.44 6.28 4.22 -1.07 -3.34 114.58 120.55 2kot h GLU 14 Ca 0.00 -0.55 0.01 0.00 0.08 0.00 0.00 59.36 58.91 2kot h GLU 14 Cb 0.68 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2kot h GLU 14 CO 0.00 1.26 0.30 1.15 -2.18 0.00 0.00 179.01 179.54 2kot h THR 15 N -0.24 1.09 0.00 0.32 2.02 -1.24 -1.68 112.91 113.19 2kot h THR 15 Ca -0.24 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 2kot h THR 15 Cb 1.80 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2kot h THR 15 CO 0.13 0.10 -0.28 0.58 0.37 0.00 0.00 175.52 176.43 2kot h VAL 16 N 0.57 0.82 0.00 3.16 2.07 -1.71 -3.12 116.25 118.03 2kot h VAL 16 Ca 0.17 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2kot h VAL 16 Cb -0.01 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2kot h VAL 16 CO -0.04 0.27 0.00 0.52 0.02 0.00 0.00 177.57 178.34 2kot n VAL 17 N -3.65 0.00 -0.30 2.57 0.31 -0.66 -4.02 118.33 112.58 2kot n VAL 17 Ca -0.01 0.39 0.20 0.00 -0.01 0.00 0.00 64.34 64.90 2kot n VAL 17 Cb 0.40 -1.19 0.48 0.00 -0.91 0.00 0.00 33.84 32.62 2kot n VAL 17 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2kot h THR 18 N 0.00 0.62 -0.51 2.52 1.35 -1.64 0.50 112.91 115.74 2kot h THR 18 Ca 0.00 -0.16 -0.05 0.00 -0.55 0.00 0.00 66.41 65.65 2kot h THR 18 Cb 0.00 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 66.51 2kot h THR 18 CO 0.00 0.08 0.11 0.74 -0.25 0.00 0.00 175.52 176.20 2kot h THR 19 N 0.47 1.25 0.00 6.82 2.02 -1.76 -3.27 112.91 118.43 2kot h THR 19 Ca 0.54 -0.89 -0.32 0.00 0.77 0.00 0.00 66.41 66.51 2kot h THR 19 Cb 1.27 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 68.46 2kot h THR 19 CO -0.26 0.32 -2.20 0.33 0.37 0.00 0.00 175.52 174.08 2kot n PHE 20 N -4.42 0.00 0.29 3.16 7.35 -0.88 -4.48 117.46 118.47 2kot n PHE 20 Ca 0.02 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.88 2kot n PHE 20 Cb 0.24 -0.86 0.84 0.00 0.35 0.00 0.00 39.48 40.05 2kot n PHE 20 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2kot h PHE 21 N 0.00 0.00 -0.36 -5.13 -1.00 -0.14 -2.03 116.94 108.28 2kot h PHE 21 Ca -0.47 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.27 2kot h PHE 21 Cb 2.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.61 2kot h PHE 21 CO 0.00 0.00 0.08 1.15 -1.61 0.00 0.00 178.31 177.94 2kot h THR 22 N 0.00 1.17 0.00 -1.55 2.02 -1.77 -2.46 112.91 110.32 2kot h THR 22 Ca 0.00 -0.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 2kot h THR 22 Cb 0.16 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2kot h THR 22 CO 0.00 0.22 -1.88 0.49 0.37 0.00 0.00 175.52 174.71 2kot n PHE 23 N -4.34 0.20 0.46 3.16 3.01 -0.87 -4.37 117.46 114.71 2kot n PHE 23 Ca 0.02 0.06 0.13 0.00 1.01 0.00 0.00 57.45 58.67 2kot n PHE 23 Cb 0.19 -0.68 0.37 0.00 -0.01 0.00 0.00 39.48 39.34 2kot n PHE 23 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kot h ALA 24 N 1.80 1.00 -0.22 4.37 0.00 -1.22 -3.27 119.26 121.72 2kot h ALA 24 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kot h ALA 24 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kot h ALA 24 CO 0.01 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.15 2kot n ARG 25 N -2.55 1.67 0.09 0.00 1.85 -0.94 -4.11 116.66 112.66 2kot n ARG 25 Ca 0.04 -1.02 -0.07 0.00 -1.00 0.00 0.00 57.85 55.80 2kot n ARG 25 Cb 0.43 -1.31 -0.02 0.00 -1.05 0.00 0.00 32.46 30.51 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 1.86 0.08 -5.26 2.89 4.15 -1.83 -3.44 115.11 113.55 2kot h GLN 26 Ca 0.00 -0.09 -0.52 0.00 0.77 0.00 0.00 58.65 58.81 2kot h GLN 26 Cb 0.42 0.03 -0.30 0.00 0.21 0.00 0.00 27.48 27.83 2kot h GLN 26 CO 0.00 0.91 -0.82 -1.21 -1.93 0.00 0.00 178.83 175.77 2kot s GLU 27 N -3.08 1.41 -0.15 1.69 0.41 -1.26 -4.99 118.70 112.73 2kot s GLU 27 Ca -0.01 -0.54 -0.01 0.00 -0.41 0.00 0.00 54.97 54.00 2kot s GLU 27 Cb 0.11 -1.30 0.01 0.00 -1.78 0.00 0.00 34.13 31.16 2kot s GLU 27 CO 0.81 0.27 0.03 0.41 -0.49 0.00 0.00 175.26 176.29 2kot n GLY 28 N 2.96 -2.45 1.42 -1.39 0.00 -1.26 -4.88 105.19 99.59 2kot n GLY 28 Ca -0.16 0.41 0.18 0.00 0.00 0.00 0.00 46.02 46.44 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 1.21 -3.02 -0.04 1.61 3.00 -1.26 -4.71 116.66 113.44 2kot n ARG 29 Ca -0.05 2.26 -0.13 0.00 -0.01 0.00 0.00 57.85 59.92 2kot n ARG 29 Cb 0.26 -3.63 -0.14 0.00 0.00 0.00 0.00 32.46 28.94 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 -4.22 0.68 -2.62 5.56 4.76 -1.26 -4.61 118.16 116.45 2kot n LYS 30 Ca -0.04 0.22 -0.42 0.00 -2.87 0.00 0.00 58.31 55.20 2kot n LYS 30 Cb 0.68 -1.69 0.01 0.00 -1.84 0.00 0.00 35.03 32.18 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 -3.12 6.35 -3.56 4.39 8.00 -1.26 -4.58 116.55 122.77 2kot n ASP 31 Ca -0.27 -3.33 -0.09 0.00 0.71 0.00 0.00 54.79 51.82 2kot n ASP 31 Cb 1.07 -1.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.80 2kot n ASP 31 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2kot s SER 32 N -0.65 -0.33 -0.08 -2.24 1.04 -1.26 -4.27 113.70 105.90 2kot s SER 32 Ca 0.38 0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.97 2kot s SER 32 Cb 0.10 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2kot s SER 32 CO 0.02 -0.41 0.13 -0.76 0.98 0.00 0.00 173.24 173.19 2kot s LEU 33 N -1.68 4.25 0.31 2.42 1.02 0.52 -4.51 118.68 121.01 2kot s LEU 33 Ca 0.02 0.38 -0.27 0.00 0.02 0.00 0.00 54.13 54.28 2kot s LEU 33 Cb -0.01 -2.17 -0.10 0.00 0.02 0.00 0.00 46.19 43.93 2kot s LEU 33 CO -0.03 0.36 0.95 -0.55 0.02 0.00 0.00 176.35 177.10 2kot s SER 34 N -1.27 7.37 0.45 2.29 0.15 -1.26 -1.29 113.70 120.13 2kot s SER 34 Ca 0.18 1.86 0.22 0.00 0.70 0.00 0.00 55.95 58.91 2kot s SER 34 Cb -0.12 -2.58 1.05 0.00 -1.71 0.00 0.00 66.02 62.66 2kot s SER 34 CO 0.08 -0.05 1.91 1.62 1.20 0.00 0.00 173.24 178.00 2kot h VAL 35 N 2.67 0.77 0.04 4.45 3.04 -1.93 -0.58 116.25 124.72 2kot h VAL 35 Ca -0.47 -0.98 -0.29 0.00 -1.01 0.00 0.00 66.70 63.96 2kot h VAL 35 Cb 1.19 1.60 -0.03 0.00 -2.01 0.00 0.00 31.29 32.04 2kot h VAL 35 CO 0.65 0.23 -1.58 -1.13 -1.01 0.00 0.00 177.57 174.74 2kot h ASN 36 N 0.00 0.15 1.25 3.17 -1.24 -1.94 -3.37 115.58 113.58 2kot h ASN 36 Ca -0.00 -0.25 -0.07 0.00 0.71 0.00 0.00 56.30 56.69 2kot h ASN 36 Cb 0.58 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 2kot h ASN 36 CO 0.03 1.21 -0.79 -0.33 -1.29 0.00 0.00 177.43 176.27 2kot h GLU 37 N 0.03 0.00 -0.33 6.67 5.08 -1.94 -3.26 114.58 120.82 2kot h GLU 37 Ca -0.24 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 2kot h GLU 37 Cb 1.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 2kot h GLU 37 CO 0.11 0.21 -0.15 0.27 -1.00 0.00 0.00 179.01 178.45 2kot h PHE 38 N 0.00 0.64 -0.15 4.33 -0.00 -1.27 -1.20 116.94 119.29 2kot h PHE 38 Ca -0.05 -0.11 -0.18 0.00 -0.00 0.00 0.00 57.97 57.64 2kot h PHE 38 Cb 1.26 -0.17 0.01 0.00 -0.00 0.00 0.00 35.95 37.05 2kot h PHE 38 CO 0.00 0.71 -0.59 -0.22 -0.00 0.00 0.00 178.31 178.20 2kot h LYS 39 N 0.53 0.66 -0.28 6.09 3.64 -1.73 -3.01 116.57 122.48 2kot h LYS 39 Ca 0.09 -0.51 -0.08 0.00 -1.27 0.00 0.00 60.65 58.88 2kot h LYS 39 Cb 0.57 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2kot h LYS 39 CO 0.04 1.13 -0.16 0.93 -2.27 0.00 0.00 179.45 179.12 2kot h GLU 40 N 0.34 0.48 -0.68 1.90 5.08 -1.58 -2.31 114.58 117.81 2kot h GLU 40 Ca -0.03 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2kot h GLU 40 Cb 1.22 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2kot h GLU 40 CO 0.12 0.63 0.22 1.25 -1.00 0.00 0.00 179.01 180.23 2kot h LEU 41 N 0.44 0.96 -0.59 1.33 5.85 -1.22 -2.03 115.31 120.04 2kot h LEU 41 Ca 0.08 -0.16 -0.15 0.00 0.84 0.00 0.00 57.88 58.48 2kot h LEU 41 Cb 0.53 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2kot h LEU 41 CO 0.03 0.89 -0.67 0.58 -0.34 0.00 0.00 178.44 178.93 2kot h VAL 42 N 1.00 1.43 -0.84 1.05 2.07 -1.37 -0.24 116.25 119.35 2kot h VAL 42 Ca 0.22 -2.18 -0.47 0.00 0.82 0.00 0.00 66.70 65.09 2kot h VAL 42 Cb 0.27 2.15 -0.27 0.00 -1.52 0.00 0.00 31.29 31.92 2kot h VAL 42 CO -0.01 0.64 0.47 0.41 0.02 0.00 0.00 177.57 179.10 2kot n THR 43 N -3.80 3.10 0.19 2.57 -1.04 -0.89 -2.45 114.28 111.97 2kot n THR 43 Ca -0.02 -2.35 0.00 0.00 -2.04 0.00 0.00 64.05 59.63 2kot n THR 43 Cb 0.66 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 -1.09 0.00 -0.03 -2.82 7.27 -0.79 -4.98 117.38 114.94 2kot n GLN 44 Ca 0.54 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.67 2kot n GLN 44 Cb 1.35 0.00 0.06 0.00 2.41 0.00 0.00 30.24 34.06 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 -3.40 0.94 -2.70 3.69 7.27 -0.94 -4.70 117.38 117.53 2kot n GLN 45 Ca 0.00 -1.32 -0.07 0.00 0.07 0.00 0.00 57.00 55.68 2kot n GLN 45 Cb 0.00 -1.23 0.04 0.00 2.41 0.00 0.00 30.24 31.46 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 0.65 1.10 0.10 1.69 7.94 -0.15 -4.97 117.00 123.37 2kot n LEU 46 Ca 0.08 -3.54 -0.22 0.00 -1.11 0.00 0.00 56.01 51.21 2kot n LEU 46 Cb 0.31 0.40 -0.15 0.00 0.53 0.00 0.00 43.42 44.51 2kot n LEU 46 CO 0.07 1.49 -0.39 1.55 -1.11 0.00 0.00 177.39 179.00 2kot h PRO 47 N 2.79 0.42 0.00 1.96 0.13 -1.73 -3.36 132.00 132.20 2kot h PRO 47 Ca -0.13 -0.72 -0.02 0.00 -0.87 0.00 0.00 66.00 64.26 2kot h PRO 47 Cb 1.21 0.27 -0.00 0.00 0.13 0.00 0.00 31.00 32.61 2kot h PRO 47 CO 0.37 1.33 -0.11 0.45 -0.23 0.00 0.00 178.00 179.81 2kot h HIS 48 N 0.11 0.00 0.16 1.56 3.86 -1.93 -3.32 115.15 115.60 2kot h HIS 48 Ca -0.29 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.91 2kot h HIS 48 Cb 2.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.58 2kot h HIS 48 CO 0.10 0.11 -0.08 1.25 0.86 0.00 0.00 177.93 180.18 2kot h LEU 49 N 0.00 -0.18 -9.47 2.43 5.85 -1.96 -3.44 115.31 108.55 2kot h LEU 49 Ca -0.00 -0.31 -0.61 0.00 0.84 0.00 0.00 57.88 57.80 2kot h LEU 49 Cb 0.77 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.77 2kot h LEU 49 CO 0.01 0.24 -0.34 -0.76 -0.34 0.00 0.00 178.44 177.26 2kot s LEU 50 N -9.34 4.33 0.41 2.25 1.43 -1.25 -4.20 118.68 112.30 2kot s LEU 50 Ca -0.14 0.60 0.11 0.00 -1.03 0.00 0.00 54.13 53.66 2kot s LEU 50 Cb 0.02 -2.34 0.86 0.00 0.03 0.00 0.00 46.19 44.75 2kot s LEU 50 CO 0.58 0.23 1.95 0.07 0.23 0.00 0.00 176.35 179.40 2kot h LYS 51 N 5.82 0.17 -4.99 1.70 2.10 -1.85 -3.41 116.57 116.12 2kot h LYS 51 Ca -0.47 -0.04 -0.65 0.00 -2.00 0.00 0.00 60.65 57.49 2kot h LYS 51 Cb 1.19 -0.03 -0.26 0.00 -0.90 0.00 0.00 32.23 32.24 2kot h LYS 51 CO 0.68 0.31 -0.69 0.34 -2.00 0.00 0.00 179.45 178.10 2kot s ASP 52 N -6.91 4.58 -0.01 7.07 -1.08 -1.26 -4.98 116.67 114.08 2kot s ASP 52 Ca -0.05 -0.33 0.10 0.00 -0.52 0.00 0.00 52.55 51.75 2kot s ASP 52 Cb 0.16 -1.80 -0.13 0.00 -1.46 0.00 0.00 42.92 39.69 2kot s ASP 52 CO 0.72 -0.02 0.30 1.33 0.52 0.00 0.00 175.17 178.02 2kot n VAL 53 N 4.82 0.00 -0.12 1.11 0.24 -1.26 -4.78 118.33 118.34 2kot n VAL 53 Ca -0.17 -0.25 -0.26 0.00 -2.04 0.00 0.00 64.34 61.62 2kot n VAL 53 Cb 0.51 0.62 -0.09 0.00 -1.47 0.00 0.00 33.84 33.41 2kot n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kot n GLY 54 N 1.60 -0.40 3.36 7.63 0.00 -1.26 -4.65 105.19 111.48 2kot n GLY 54 Ca -0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2kot n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kot n SER 55 N -4.04 5.06 -1.54 1.61 2.88 -1.26 -4.73 113.62 111.60 2kot n SER 55 Ca -0.48 -2.98 0.10 0.00 -1.33 0.00 0.00 58.87 54.18 2kot n SER 55 Cb 0.86 -1.60 0.35 0.00 -0.75 0.00 0.00 64.21 63.06 2kot n SER 55 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kot n LEU 56 N 6.03 4.56 0.00 2.46 7.99 -1.26 -4.51 117.00 132.27 2kot n LEU 56 Ca 0.41 -2.29 -0.02 0.00 -0.01 0.00 0.00 56.01 54.09 2kot n LEU 56 Cb 0.42 -0.56 0.24 0.00 -0.11 0.00 0.00 43.42 43.41 2kot n LEU 56 CO 0.70 0.84 0.82 -2.24 -1.51 0.00 0.00 177.39 176.00 2kot h ASP 57 N 4.13 0.50 0.42 -1.43 3.04 -1.99 0.36 116.42 121.45 2kot h ASP 57 Ca 0.00 -0.14 -0.06 0.00 -3.24 0.00 0.00 57.03 53.59 2kot h ASP 57 Cb 1.34 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 39.49 2kot h ASP 57 CO 0.18 0.67 -0.30 -0.08 -2.04 0.00 0.00 179.24 177.67 2kot h GLU 58 N 0.47 0.00 0.04 4.15 4.81 -2.01 -2.95 114.58 119.09 2kot h GLU 58 Ca 0.08 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.98 2kot h GLU 58 Cb 0.53 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 2kot h GLU 58 CO 0.03 0.30 -1.87 1.63 -0.73 0.00 0.00 179.01 178.38 2kot n LYS 59 N -3.94 0.65 -0.27 1.92 4.01 -1.00 -3.90 118.16 115.62 2kot n LYS 59 Ca -0.02 0.37 0.05 0.00 -0.51 0.00 0.00 58.31 58.20 2kot n LYS 59 Cb 0.37 -1.67 0.19 0.00 -0.51 0.00 0.00 35.03 33.42 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 -0.51 0.51 -0.24 1.97 4.05 -0.34 0.17 114.93 120.54 2kot h MET 60 Ca -0.46 -0.03 -0.16 0.00 -0.28 0.00 0.00 59.70 58.77 2kot h MET 60 Cb 1.68 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.36 2kot h MET 60 CO -0.13 0.34 -0.49 0.87 0.23 0.00 0.00 176.91 177.73 2kot h LYS 61 N 0.52 0.67 -0.06 0.39 1.79 -1.74 -1.68 116.57 116.46 2kot h LYS 61 Ca 0.42 -0.39 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 2kot h LYS 61 Cb 0.60 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2kot h LYS 61 CO -0.37 1.01 -0.42 0.77 -1.08 0.00 0.00 179.45 179.36 2kot h SER 62 N 0.53 0.13 0.12 0.86 0.02 -1.37 -3.30 113.55 110.54 2kot h SER 62 Ca 0.02 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2kot h SER 62 Cb 1.04 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2kot h SER 62 CO 0.10 0.54 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.20 2kot h LEU 63 N 0.11 -0.13 -6.65 5.07 3.38 -0.63 -3.38 115.31 113.08 2kot h LEU 63 Ca 0.01 -0.33 -0.73 0.00 0.09 0.00 0.00 57.88 56.92 2kot h LEU 63 Cb 0.78 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.46 2kot h LEU 63 CO 0.06 0.47 2.38 -0.67 0.09 0.00 0.00 178.44 180.77 2kot n ASP 64 N -4.85 4.63 0.03 -0.43 -0.08 -0.64 -4.38 116.55 110.83 2kot n ASP 64 Ca -0.06 -2.97 0.03 0.00 -1.51 0.00 0.00 54.79 50.28 2kot n ASP 64 Cb 0.23 -1.60 -0.08 0.00 2.34 0.00 0.00 41.12 42.01 2kot n ASP 64 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2kot n VAL 65 N 4.59 0.97 0.16 5.18 3.14 -1.25 -4.15 118.33 126.97 2kot n VAL 65 Ca 0.45 -0.66 0.02 0.00 -2.96 0.00 0.00 64.34 61.20 2kot n VAL 65 Cb 0.40 -0.56 0.25 0.00 -1.06 0.00 0.00 33.84 32.86 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 -4.63 6.55 -1.24 -1.94 -3.49 115.58 110.82 2kot h ASN 66 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.86 2kot h ASN 66 Cb 1.46 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.51 2kot h ASN 66 CO 0.03 0.50 -0.74 0.00 -1.29 0.00 0.00 177.43 175.93 2kot n GLN 67 N -3.67 -2.64 0.00 6.67 1.13 -1.26 -5.06 117.38 112.54 2kot n GLN 67 Ca -0.01 2.23 0.00 0.00 -1.94 0.00 0.00 57.00 57.29 2kot n GLN 67 Cb 0.57 -4.38 0.00 0.00 0.11 0.00 0.00 30.24 26.53 2kot n GLN 67 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2kot n ASP 68 N 0.49 0.00 0.06 1.08 2.03 -1.26 -5.12 116.55 113.83 2kot n ASP 68 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2kot n ASP 68 Cb 0.02 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 -2.48 -1.15 -4.61 1.67 2.88 -1.26 -5.16 113.62 103.51 2kot n SER 69 Ca 0.00 0.56 -0.24 0.00 -1.33 0.00 0.00 58.87 57.85 2kot n SER 69 Cb 0.00 1.39 -0.08 0.00 -0.75 0.00 0.00 64.21 64.77 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 -2.00 2.19 -0.57 -1.46 2.02 -1.26 -4.62 118.70 112.99 2kot s GLU 70 Ca 0.00 -1.37 -0.22 0.00 0.02 0.00 0.00 54.97 53.40 2kot s GLU 70 Cb 0.00 -2.15 0.06 0.00 0.10 0.00 0.00 34.13 32.14 2kot s GLU 70 CO 0.00 0.39 0.86 -0.51 0.02 0.00 0.00 175.26 176.02 2kot s LEU 71 N -3.34 4.48 1.24 1.80 1.02 -0.42 -4.94 118.68 118.52 2kot s LEU 71 Ca 0.29 -0.74 -0.20 0.00 0.02 0.00 0.00 54.13 53.50 2kot s LEU 71 Cb -0.07 -2.58 0.30 0.00 0.02 0.00 0.00 46.19 43.86 2kot s LEU 71 CO 0.18 -1.20 1.08 -0.54 0.02 0.00 0.00 176.35 175.89 2kot s LYS 72 N 3.58 -1.51 0.33 1.70 1.02 -1.26 -0.36 119.74 123.24 2kot s LYS 72 Ca 0.23 -0.02 0.10 0.00 0.02 0.00 0.00 55.97 56.30 2kot s LYS 72 Cb -0.16 -1.56 0.58 0.00 -0.52 0.00 0.00 37.83 36.17 2kot s LYS 72 CO 0.14 -3.91 1.76 0.35 -0.92 0.00 0.00 175.35 172.77 2kot h PHE 73 N -2.72 0.12 0.00 3.18 3.04 -1.95 0.56 116.94 119.16 2kot h PHE 73 Ca -0.45 -0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.37 2kot h PHE 73 Cb 1.30 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.77 2kot h PHE 73 CO -2.28 0.49 -0.51 -0.97 -2.02 0.00 0.00 178.31 173.02 2kot h ASN 74 N 0.09 0.00 0.15 0.41 -0.73 -1.93 -0.45 115.58 113.12 2kot h ASN 74 Ca 0.01 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.82 2kot h ASN 74 Cb 0.76 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.34 2kot h ASN 74 CO 0.06 0.51 -1.87 -0.33 -0.37 0.00 0.00 177.43 175.42 2kot h GLU 75 N 0.00 0.31 0.00 6.67 3.07 -1.70 -3.34 114.58 119.59 2kot h GLU 75 Ca -0.01 -0.54 0.00 0.00 -0.50 0.00 0.00 59.36 58.32 2kot h GLU 75 Cb 0.93 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 2kot h GLU 75 CO 0.07 1.26 0.00 0.98 -1.40 0.00 0.00 179.01 179.91 2kot n TYR 76 N -3.56 0.53 0.08 4.33 9.36 0.19 -3.62 117.16 124.48 2kot n TYR 76 Ca -0.29 0.19 0.20 0.00 3.32 0.00 0.00 57.90 61.33 2kot n TYR 76 Cb 1.05 -0.81 0.75 0.00 -0.63 0.00 0.00 39.34 39.69 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 0.00 2.98 7.01 -1.20 -0.67 115.95 124.07 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 0.43 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 2kot h TRP 77 CO 0.00 0.00 -0.30 0.00 -2.79 0.00 0.00 178.44 175.35 2kot h ARG 78 N 0.00 0.00 0.01 2.65 2.47 -1.83 -3.10 114.38 114.59 2kot h ARG 78 Ca 0.20 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.62 2kot h ARG 78 Cb 1.07 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.34 2kot h ARG 78 CO -0.00 0.30 -1.77 -0.11 0.56 0.00 0.00 179.97 178.96 2kot n LEU 79 N -3.74 1.04 -0.33 3.04 7.94 -0.29 -3.86 117.00 120.81 2kot n LEU 79 Ca -0.01 0.38 0.15 0.00 -1.11 0.00 0.00 56.01 55.41 2kot n LEU 79 Cb 0.40 0.04 0.37 0.00 0.53 0.00 0.00 43.42 44.77 2kot n LEU 79 CO 0.36 0.44 1.21 0.40 -1.11 0.00 0.00 177.39 178.68 2kot h ILE 80 N 0.01 0.70 -0.35 1.96 1.08 -1.40 0.23 117.51 119.74 2kot h ILE 80 Ca -0.31 -0.23 -0.13 0.00 -0.39 0.00 0.00 64.86 63.80 2kot h ILE 80 Cb 2.02 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.73 2kot h ILE 80 CO 0.08 0.12 -0.29 1.23 -0.69 0.00 0.00 178.15 178.60 2kot h GLY 81 N 0.68 0.89 1.53 5.37 0.00 -1.70 -3.17 103.07 106.67 2kot h GLY 81 Ca 0.55 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2kot h GLY 81 CO -0.32 0.80 0.17 0.83 0.00 0.00 0.00 176.54 178.02 2kot h GLU 82 N 0.61 0.61 -0.36 4.80 4.39 -0.82 0.33 114.58 124.14 2kot h GLU 82 Ca 0.06 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2kot h GLU 82 Cb 0.87 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 2kot h GLU 82 CO 0.08 0.50 0.20 -0.07 -1.16 0.00 0.00 179.01 178.56 2kot h LEU 83 N 0.61 0.44 0.00 1.33 4.07 -0.69 0.22 115.31 121.29 2kot h LEU 83 Ca 0.15 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2kot h LEU 83 Cb 0.12 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2kot h LEU 83 CO -0.02 0.39 -0.34 0.00 -1.08 0.00 0.00 178.44 177.39 2kot h ALA 84 N 1.07 0.79 0.00 1.53 0.00 -1.52 -3.06 119.26 118.07 2kot h ALA 84 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.76 2kot h ALA 84 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2kot h ALA 84 CO -0.02 0.00 -1.72 1.17 0.00 0.00 0.00 179.25 178.67 2kot n LYS 85 N -2.38 0.63 0.04 0.00 4.81 0.09 -4.30 118.16 117.05 2kot n LYS 85 Ca 0.04 0.26 -0.03 0.00 -0.87 0.00 0.00 58.31 57.70 2kot n LYS 85 Cb 0.46 -1.77 -0.09 0.00 0.02 0.00 0.00 35.03 33.65 2kot n LYS 85 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kot h GLU 86 N 0.00 0.00 -0.43 1.64 4.39 -0.67 -3.16 114.58 116.34 2kot h GLU 86 Ca -0.29 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.43 2kot h GLU 86 Cb 1.96 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.58 2kot h GLU 86 CO 0.07 0.50 0.25 0.97 -1.16 0.00 0.00 179.01 179.64 2kot h ILE 87 N 0.00 1.04 0.17 3.13 -0.00 -1.70 -3.11 117.51 117.04 2kot h ILE 87 Ca -0.15 -0.17 -0.32 0.00 -0.00 0.00 0.00 64.86 64.22 2kot h ILE 87 Cb 1.70 0.48 0.01 0.00 -0.00 0.00 0.00 36.82 39.02 2kot h ILE 87 CO 0.07 0.09 -1.51 0.08 -0.00 0.00 0.00 178.15 176.88 2kot h ARG 88 N 0.51 0.35 -1.75 2.19 -0.00 -1.76 -3.46 114.38 110.47 2kot h ARG 88 Ca 0.17 -0.60 -0.11 0.00 -0.00 0.00 0.00 59.98 59.44 2kot h ARG 88 Cb 0.02 0.22 -0.28 0.00 -0.00 0.00 0.00 29.97 29.93 2kot h ARG 88 CO -0.08 1.25 -0.45 -1.59 -0.00 0.00 0.00 179.97 179.10 2kot s LYS 89 N -2.61 0.38 -0.21 0.08 -2.85 -1.19 -4.86 119.74 108.47 2kot s LYS 89 Ca -0.09 0.61 0.04 0.00 -1.00 0.00 0.00 55.97 55.53 2kot s LYS 89 Cb 0.06 -0.31 -0.16 0.00 -2.06 0.00 0.00 37.83 35.36 2kot s LYS 89 CO 0.88 -0.64 -0.15 0.36 0.10 0.00 0.00 175.35 175.90 2kot n LYS 90 N 5.38 0.67 -3.28 1.78 0.00 -1.18 -4.10 118.16 117.42 2kot n LYS 90 Ca -0.03 0.10 -0.26 0.00 -0.00 0.00 0.00 58.31 58.13 2kot n LYS 90 Cb 0.50 -1.45 -0.07 0.00 -0.00 0.00 0.00 35.03 34.02 2kot n LYS 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kot n LYS 91 N -3.06 2.05 -0.31 -1.58 5.02 -1.26 -4.98 118.16 114.04 2kot n LYS 91 Ca -0.37 -4.23 0.26 0.00 -2.02 0.00 0.00 58.31 51.94 2kot n LYS 91 Cb 0.95 -1.94 0.58 0.00 -0.02 0.00 0.00 35.03 34.59 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 3.88 0.32 0.74 4.39 3.04 -1.84 0.96 116.42 127.90 2kot h ASP 92 Ca 0.15 0.06 -0.26 0.00 -3.24 0.00 0.00 57.03 53.74 2kot h ASP 92 Cb 0.72 0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 39.00 2kot h ASP 92 CO 0.71 0.06 -1.21 0.25 -2.04 0.00 0.00 179.24 177.01 2kot h LEU 93 N 0.28 0.24 0.00 0.15 5.85 -2.00 -3.40 115.31 116.42 2kot h LEU 93 Ca 0.57 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2kot h LEU 93 Cb 1.67 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.62 2kot h LEU 93 CO -0.21 1.21 -0.13 0.50 -0.34 0.00 0.00 178.44 179.47 2kot h LYS 94 N 0.04 0.00 -5.43 1.25 1.63 -1.62 -3.47 116.57 108.98 2kot h LYS 94 Ca -0.11 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 59.03 2kot h LYS 94 Cb 1.90 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 33.27 2kot h LYS 94 CO 0.16 0.00 -0.76 0.96 -3.45 0.00 0.00 179.45 176.36 2kot s ILE 95 N -1.69 3.07 -0.21 2.00 -4.36 0.20 -5.03 121.20 115.17 2kot s ILE 95 Ca -0.04 -0.66 0.20 0.00 -0.26 0.00 0.00 60.65 59.89 2kot s ILE 95 Cb 0.01 -2.28 0.45 0.00 1.25 0.00 0.00 42.46 41.88 2kot s ILE 95 CO 0.06 0.53 1.19 -2.11 0.24 0.00 0.00 174.94 174.85 2kot n ARG 96 N 3.39 1.26 -2.73 0.37 1.85 -1.26 -4.04 116.66 115.50 2kot n ARG 96 Ca -0.18 -2.68 -0.07 0.00 -1.00 0.00 0.00 57.85 53.92 2kot n ARG 96 Cb 0.53 -0.83 0.05 0.00 -1.05 0.00 0.00 32.46 31.15 2kot n ARG 96 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2kot n LYS 97 N -0.55 0.64 0.00 2.89 2.85 -1.26 -5.18 118.16 117.55 2kot n LYS 97 Ca 0.00 -1.54 0.05 0.00 -1.05 0.00 0.00 58.31 55.77 2kot n LYS 97 Cb 0.87 -1.22 0.04 0.00 -0.65 0.00 0.00 35.03 34.07 2kot n LYS 97 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52