#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 2.95 -0.41 3.17 0.00 -1.26 -5.00 121.76 121.21 2kot s ALA 2 Ca 0.00 -1.37 -0.23 0.00 0.00 0.00 0.00 51.96 50.37 2kot s ALA 2 Cb 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2kot s ALA 2 CO 0.00 0.55 0.76 0.00 0.00 0.00 0.00 175.76 177.07 2kot s ALA 3 N -1.48 3.35 -0.12 0.00 0.00 -1.26 -5.06 121.76 117.19 2kot s ALA 3 Ca 0.23 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 2kot s ALA 3 Cb -0.10 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2kot s ALA 3 CO 0.15 -1.73 0.14 -2.00 0.00 0.00 0.00 175.76 172.32 2kot s GLU 4 N 3.16 3.47 0.32 0.00 2.12 -1.26 -4.85 118.70 121.66 2kot s GLU 4 Ca 0.29 -0.13 -0.29 0.00 0.36 0.00 0.00 54.97 55.20 2kot s GLU 4 Cb -0.13 -3.20 -0.12 0.00 0.26 0.00 0.00 34.13 30.94 2kot s GLU 4 CO 0.20 0.76 1.48 -2.30 -0.54 0.00 0.00 175.26 174.86 2kot n PRO 5 N 2.04 2.50 0.00 4.30 -0.02 -1.26 -4.97 135.00 137.59 2kot n PRO 5 Ca -0.20 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2kot n PRO 5 Cb 0.55 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 1.43 0.00 -4.59 2.45 4.77 -1.26 -5.03 117.00 114.77 2kot n LEU 6 Ca 0.06 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 2kot n LEU 6 Cb 0.36 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.64 2kot n LEU 6 CO 0.63 0.00 0.56 0.41 -1.33 0.00 0.00 177.39 177.66 2kot n THR 7 N 0.00 0.00 -0.26 -5.08 -1.04 -1.26 -4.36 114.28 102.28 2kot n THR 7 Ca 0.00 -0.14 -0.01 0.00 -2.04 0.00 0.00 64.05 61.86 2kot n THR 7 Cb 0.00 -0.97 0.06 0.00 -1.82 0.00 0.00 70.33 67.60 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 -2.10 -0.06 -0.18 -2.82 4.81 -2.02 0.81 114.58 113.03 2kot h GLU 8 Ca -0.48 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.59 2kot h GLU 8 Cb 1.29 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2kot h GLU 8 CO 0.43 -0.04 -0.57 -0.07 -0.73 0.00 0.00 179.01 178.03 2kot h LEU 9 N -0.06 0.64 -0.68 1.64 3.38 -2.01 -2.49 115.31 115.73 2kot h LEU 9 Ca 0.32 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2kot h LEU 9 Cb 0.57 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2kot h LEU 9 CO -0.79 1.07 -0.62 -0.33 0.09 0.00 0.00 178.44 177.86 2kot h GLU 10 N 0.43 0.15 0.00 1.13 5.08 -1.58 -3.13 114.58 116.66 2kot h GLU 10 Ca 0.00 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2kot h GLU 10 Cb 1.12 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2kot h GLU 10 CO 0.11 0.72 -0.20 1.49 -1.00 0.00 0.00 179.01 180.13 2kot h GLU 11 N 0.11 0.00 0.38 2.33 4.81 0.62 -3.12 114.58 119.71 2kot h GLU 11 Ca -0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2kot h GLU 11 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2kot h GLU 11 CO 0.09 0.20 -0.18 0.77 -0.73 0.00 0.00 179.01 179.15 2kot h SER 12 N 0.00 -0.43 0.93 1.04 0.02 -1.38 -0.17 113.55 113.56 2kot h SER 12 Ca -0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2kot h SER 12 Cb 1.09 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2kot h SER 12 CO 0.03 -0.26 -0.09 0.16 -1.14 0.00 0.00 176.83 175.53 2kot h ILE 13 N -0.58 0.23 -0.05 3.27 -0.00 -1.68 -3.13 117.51 115.57 2kot h ILE 13 Ca -0.05 -0.72 -0.24 0.00 -0.00 0.00 0.00 64.86 63.85 2kot h ILE 13 Cb 0.44 1.58 0.01 0.00 -0.00 0.00 0.00 36.82 38.85 2kot h ILE 13 CO 0.09 0.08 -0.94 -0.08 -0.00 0.00 0.00 178.15 177.30 2kot h GLU 14 N 0.00 0.68 -0.28 0.16 4.22 -1.41 -3.21 114.58 114.74 2kot h GLU 14 Ca -0.00 -0.66 -0.05 0.00 0.08 0.00 0.00 59.36 58.73 2kot h GLU 14 Cb 0.58 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2kot h GLU 14 CO 0.01 1.26 -0.03 1.15 -2.18 0.00 0.00 179.01 179.22 2kot h THR 15 N 0.41 1.18 -0.19 0.32 2.02 -0.97 -1.23 112.91 114.45 2kot h THR 15 Ca -0.10 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.24 2kot h THR 15 Cb 1.58 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2kot h THR 15 CO 0.18 0.25 -0.29 0.58 0.37 0.00 0.00 175.52 176.61 2kot h VAL 16 N 0.41 1.27 0.26 3.16 2.07 -1.60 -2.85 116.25 118.97 2kot h VAL 16 Ca 0.09 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 2kot h VAL 16 Cb 0.32 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2kot h VAL 16 CO 0.01 0.40 -0.13 0.58 0.02 0.00 0.00 177.57 178.46 2kot h VAL 17 N 0.33 0.09 -1.00 2.57 2.07 -1.43 -3.25 116.25 115.63 2kot h VAL 17 Ca 0.05 -0.78 0.19 0.00 0.82 0.00 0.00 66.70 66.97 2kot h VAL 17 Cb 0.69 0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.51 2kot h VAL 17 CO 0.05 0.03 0.60 0.71 0.02 0.00 0.00 177.57 178.98 2kot h THR 18 N -1.08 0.70 0.28 2.57 1.35 -1.32 0.45 112.91 115.86 2kot h THR 18 Ca -0.04 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 2kot h THR 18 Cb 0.31 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.62 2kot h THR 18 CO 0.06 0.14 -0.13 0.74 -0.25 0.00 0.00 175.52 176.08 2kot h THR 19 N 0.76 0.46 0.00 6.82 2.02 -1.66 -3.32 112.91 117.99 2kot h THR 19 Ca 0.58 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2kot h THR 19 Cb 0.90 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2kot h THR 19 CO -0.39 0.12 -0.08 0.15 0.37 0.00 0.00 175.52 175.69 2kot h PHE 20 N -0.98 0.00 0.00 3.16 3.57 -1.57 -3.27 116.94 117.85 2kot h PHE 20 Ca -0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2kot h PHE 20 Cb 0.47 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2kot h PHE 20 CO 0.04 0.08 -0.09 0.74 -2.23 0.00 0.00 178.31 176.85 2kot h PHE 21 N 0.00 0.00 -0.17 0.41 -1.00 -1.04 0.17 116.94 115.30 2kot h PHE 21 Ca -0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 2kot h PHE 21 Cb 1.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 2kot h PHE 21 CO 0.00 0.09 -0.35 1.15 -1.61 0.00 0.00 178.31 177.59 2kot h THR 22 N 0.00 1.29 0.02 -1.55 2.02 -1.66 -3.25 112.91 109.79 2kot h THR 22 Ca -0.00 -1.42 -0.36 0.00 0.77 0.00 0.00 66.41 65.39 2kot h THR 22 Cb 0.62 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 2kot h THR 22 CO 0.01 0.44 -2.24 0.49 0.37 0.00 0.00 175.52 174.59 2kot n PHE 23 N -4.06 0.40 -1.85 3.16 3.72 -1.12 -4.55 117.46 113.15 2kot n PHE 23 Ca -0.01 0.11 -0.35 0.00 -0.05 0.00 0.00 57.45 57.15 2kot n PHE 23 Cb 0.45 -1.06 -0.02 0.00 -0.94 0.00 0.00 39.48 37.92 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 -2.94 6.51 -1.43 4.37 0.00 0.56 -4.27 120.51 123.32 2kot n ALA 24 Ca -0.35 -3.72 0.02 0.00 0.00 0.00 0.00 53.44 49.39 2kot n ALA 24 Cb 1.06 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 0.69 0.52 -0.05 0.00 1.85 -1.23 -4.58 116.66 113.86 2kot n ARG 25 Ca 0.53 -1.26 -0.09 0.00 -1.00 0.00 0.00 57.85 56.03 2kot n ARG 25 Cb 0.37 -0.75 -0.04 0.00 -1.05 0.00 0.00 32.46 31.00 2kot n ARG 25 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2kot n GLN 26 N -0.34 0.23 -2.96 2.89 7.27 -1.26 -4.46 117.38 118.75 2kot n GLN 26 Ca 0.03 0.08 -0.44 0.00 0.07 0.00 0.00 57.00 56.75 2kot n GLN 26 Cb 0.61 -1.01 -0.04 0.00 2.41 0.00 0.00 30.24 32.21 2kot n GLN 26 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2kot s GLU 27 N -2.19 3.20 -0.04 3.69 0.41 -1.26 -4.62 118.70 117.89 2kot s GLU 27 Ca -0.14 -1.22 -0.01 0.00 -0.41 0.00 0.00 54.97 53.19 2kot s GLU 27 Cb 0.05 -4.38 0.00 0.00 -1.78 0.00 0.00 34.13 28.02 2kot s GLU 27 CO 0.20 -1.71 0.04 0.41 -0.49 0.00 0.00 175.26 173.72 2kot n GLY 28 N 5.31 -1.10 1.38 -1.39 0.00 -1.26 -4.25 105.19 103.88 2kot n GLY 28 Ca 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.39 -2.85 -0.06 1.61 3.00 -1.26 -4.25 116.66 112.45 2kot n ARG 29 Ca 0.01 2.04 -0.22 0.00 -0.01 0.00 0.00 57.85 59.67 2kot n ARG 29 Cb 0.03 -3.46 -0.13 0.00 0.00 0.00 0.00 32.46 28.91 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 -4.09 0.68 0.15 5.56 5.02 -1.26 -4.25 118.16 119.97 2kot n LYS 30 Ca -0.02 0.33 0.01 0.00 -2.02 0.00 0.00 58.31 56.60 2kot n LYS 30 Cb 0.67 -1.67 0.30 0.00 -0.02 0.00 0.00 35.03 34.31 2kot n LYS 30 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2kot h ASP 31 N -0.31 0.09 -3.43 4.39 5.19 -1.87 -3.42 116.42 117.07 2kot h ASP 31 Ca -0.45 -0.04 -0.54 0.00 -0.62 0.00 0.00 57.03 55.38 2kot h ASP 31 Cb 1.79 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 41.24 2kot h ASP 31 CO -0.06 0.48 -0.12 -0.55 -3.12 0.00 0.00 179.24 175.87 2kot s SER 32 N -6.91 6.61 0.46 6.45 0.15 -1.26 -4.32 113.70 114.89 2kot s SER 32 Ca -0.03 0.91 0.05 0.00 0.70 0.00 0.00 55.95 57.57 2kot s SER 32 Cb 0.14 -2.22 0.01 0.00 -1.71 0.00 0.00 66.02 62.24 2kot s SER 32 CO 0.74 -0.08 0.64 -0.76 1.20 0.00 0.00 173.24 174.98 2kot s LEU 33 N -2.86 3.57 0.45 3.45 1.02 0.25 -4.70 118.68 119.86 2kot s LEU 33 Ca 0.47 -0.19 0.03 0.00 0.02 0.00 0.00 54.13 54.46 2kot s LEU 33 Cb -0.11 -2.79 0.01 0.00 0.02 0.00 0.00 46.19 43.32 2kot s LEU 33 CO 0.22 -0.84 0.64 -0.55 0.02 0.00 0.00 176.35 175.84 2kot s SER 34 N -4.34 5.70 -0.07 2.29 0.15 -1.26 -1.97 113.70 114.19 2kot s SER 34 Ca 0.54 0.03 -0.03 0.00 0.70 0.00 0.00 55.95 57.19 2kot s SER 34 Cb -0.10 -1.20 -0.26 0.00 -1.71 0.00 0.00 66.02 62.75 2kot s SER 34 CO 0.35 -0.77 0.56 1.62 1.20 0.00 0.00 173.24 176.20 2kot h VAL 35 N 0.44 0.81 0.06 4.45 3.04 -1.90 -3.29 116.25 119.86 2kot h VAL 35 Ca -0.44 -2.52 -0.19 0.00 -1.01 0.00 0.00 66.70 62.54 2kot h VAL 35 Cb 1.27 2.57 0.02 0.00 -2.01 0.00 0.00 31.29 33.14 2kot h VAL 35 CO 0.54 0.80 -0.76 -1.13 -1.01 0.00 0.00 177.57 176.00 2kot h ASN 36 N 0.06 0.57 0.18 3.17 -1.24 -1.97 -3.26 115.58 113.10 2kot h ASN 36 Ca -0.35 -0.83 -0.03 0.00 0.71 0.00 0.00 56.30 55.80 2kot h ASN 36 Cb 2.04 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 40.90 2kot h ASN 36 CO 0.11 1.34 -0.15 -0.33 -1.29 0.00 0.00 177.43 177.11 2kot h GLU 37 N -0.13 0.00 -0.42 6.67 5.08 -2.00 -2.33 114.58 121.46 2kot h GLU 37 Ca -0.11 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2kot h GLU 37 Cb 1.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 2kot h GLU 37 CO 0.15 0.15 -0.15 0.35 -1.00 0.00 0.00 179.01 178.51 2kot h PHE 38 N 0.00 0.87 -0.36 4.33 3.57 -1.63 -0.60 116.94 123.11 2kot h PHE 38 Ca -0.00 -0.17 -0.09 0.00 3.53 0.00 0.00 57.97 61.24 2kot h PHE 38 Cb 0.28 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2kot h PHE 38 CO 0.00 0.88 -0.13 -0.22 -2.23 0.00 0.00 178.31 176.61 2kot h LYS 39 N 0.70 0.65 0.01 1.11 3.64 -1.46 -2.68 116.57 118.54 2kot h LYS 39 Ca 0.11 -0.21 -0.22 0.00 -1.27 0.00 0.00 60.65 59.06 2kot h LYS 39 Cb 0.64 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 2kot h LYS 39 CO 0.05 0.76 -1.03 0.93 -2.27 0.00 0.00 179.45 177.89 2kot h GLU 40 N 0.59 0.02 -0.30 1.90 5.08 -1.39 -3.07 114.58 117.41 2kot h GLU 40 Ca 0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2kot h GLU 40 Cb 0.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2kot h GLU 40 CO 0.04 1.01 0.10 1.25 -1.00 0.00 0.00 179.01 180.41 2kot h LEU 41 N 0.01 0.43 -0.87 1.33 5.85 -0.96 -2.70 115.31 118.39 2kot h LEU 41 Ca -0.02 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 2kot h LEU 41 Cb 1.79 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 2kot h LEU 41 CO 0.13 0.50 -0.43 0.58 -0.34 0.00 0.00 178.44 178.88 2kot h VAL 42 N 0.33 1.01 -0.89 1.05 2.07 -1.60 -0.44 116.25 117.77 2kot h VAL 42 Ca 0.10 -1.67 -0.50 0.00 0.82 0.00 0.00 66.70 65.44 2kot h VAL 42 Cb 0.22 1.99 -0.28 0.00 -1.52 0.00 0.00 31.29 31.70 2kot h VAL 42 CO -0.01 0.42 0.54 0.41 0.02 0.00 0.00 177.57 178.95 2kot n THR 43 N -3.59 3.18 0.15 2.57 -1.04 -1.13 -3.20 114.28 111.22 2kot n THR 43 Ca -0.00 -2.37 0.00 0.00 -2.04 0.00 0.00 64.05 59.64 2kot n THR 43 Cb 0.54 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 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 -1.08 0.00 0.00 -2.82 7.27 -1.03 -4.97 117.38 114.75 2kot n GLN 44 Ca 0.56 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.74 2kot n GLN 44 Cb 1.32 0.00 0.02 0.00 2.41 0.00 0.00 30.24 34.00 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 -3.11 1.51 -3.02 3.69 7.27 -0.94 -4.58 117.38 118.22 2kot n GLN 45 Ca 0.00 -1.25 -0.15 0.00 0.07 0.00 0.00 57.00 55.67 2kot n GLN 45 Cb 0.00 -1.47 -0.00 0.00 2.41 0.00 0.00 30.24 31.18 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 0.35 0.66 -0.05 1.69 0.00 -0.22 -5.01 117.00 114.42 2kot n LEU 46 Ca 0.10 -4.56 -0.03 0.00 0.00 0.00 0.00 56.01 51.52 2kot n LEU 46 Cb 0.50 0.65 -0.01 0.00 0.00 0.00 0.00 43.42 44.56 2kot n LEU 46 CO 0.25 2.09 -0.26 -0.81 0.00 0.00 0.00 177.39 178.66 2kot n PRO 47 N 0.18 0.29 -0.28 1.96 -0.05 -1.19 -4.19 135.00 131.73 2kot n PRO 47 Ca 0.19 0.36 0.27 0.00 -0.05 0.00 0.00 63.50 64.27 2kot n PRO 47 Cb 0.71 -1.29 0.62 0.00 -0.05 0.00 0.00 33.50 33.49 2kot n PRO 47 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 2kot h HIS 48 N -0.63 0.33 0.25 0.54 3.86 -1.95 -2.33 115.15 115.22 2kot h HIS 48 Ca 0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2kot h HIS 48 Cb 0.38 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2kot h HIS 48 CO -0.16 0.04 -0.12 1.25 0.86 0.00 0.00 177.93 179.80 2kot h LEU 49 N 0.21 -0.28 -8.31 2.43 5.85 -1.94 -3.39 115.31 109.88 2kot h LEU 49 Ca 0.53 -0.23 -0.70 0.00 0.84 0.00 0.00 57.88 58.32 2kot h LEU 49 Cb 1.69 0.07 -0.19 0.00 0.37 0.00 0.00 40.66 42.60 2kot h LEU 49 CO -0.14 0.13 0.03 -0.76 -0.34 0.00 0.00 178.44 177.36 2kot s LEU 50 N -9.37 5.17 0.37 2.25 1.43 -0.88 -4.56 118.68 113.10 2kot s LEU 50 Ca -0.14 -1.12 0.15 0.00 -1.03 0.00 0.00 54.13 51.99 2kot s LEU 50 Cb 0.02 -2.38 1.00 0.00 0.03 0.00 0.00 46.19 44.86 2kot s LEU 50 CO 0.54 -0.94 1.79 0.07 0.23 0.00 0.00 176.35 178.03 2kot h LYS 51 N 9.03 0.48 -4.48 1.70 2.10 -1.78 -3.35 116.57 120.28 2kot h LYS 51 Ca -0.28 -0.03 -0.73 0.00 -2.00 0.00 0.00 60.65 57.61 2kot h LYS 51 Cb 1.09 -0.11 -0.21 0.00 -0.90 0.00 0.00 32.23 32.10 2kot h LYS 51 CO 1.00 0.32 0.15 -0.51 -2.00 0.00 0.00 179.45 178.41 2kot s ASP 52 N -5.37 6.35 0.00 7.07 1.01 -1.26 -4.87 116.67 119.59 2kot s ASP 52 Ca -0.09 -1.80 0.26 0.00 0.71 0.00 0.00 52.55 51.63 2kot s ASP 52 Cb 0.25 -2.28 0.67 0.00 1.01 0.00 0.00 42.92 42.57 2kot s ASP 52 CO 0.80 -0.97 1.53 1.33 0.21 0.00 0.00 175.17 178.06 2kot n VAL 53 N 5.20 0.00 -0.02 -1.27 0.24 -1.26 -4.33 118.33 116.90 2kot n VAL 53 Ca -0.02 -0.30 -0.02 0.00 -2.04 0.00 0.00 64.34 61.96 2kot n VAL 53 Cb 0.44 0.83 -0.02 0.00 -1.47 0.00 0.00 33.84 33.62 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 1.27 -0.12 3.11 7.63 0.00 -1.26 -4.63 105.19 111.19 2kot n GLY 54 Ca 0.16 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.29 4.94 -2.75 1.61 2.88 -1.26 -4.80 113.62 111.95 2kot n SER 55 Ca -0.06 -3.01 -0.36 0.00 -1.33 0.00 0.00 58.87 54.11 2kot n SER 55 Cb 0.59 -1.56 0.03 0.00 -0.75 0.00 0.00 64.21 62.52 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 5.25 6.74 -0.07 2.46 7.99 -1.26 -4.57 117.00 133.53 2kot n LEU 56 Ca 0.42 -4.91 -0.12 0.00 -0.01 0.00 0.00 56.01 51.40 2kot n LEU 56 Cb 0.40 -0.89 -0.06 0.00 -0.11 0.00 0.00 43.42 42.76 2kot n LEU 56 CO 0.76 1.88 -0.97 -0.90 -1.51 0.00 0.00 177.39 176.65 2kot n ASP 57 N -0.55 2.34 0.16 -1.43 5.75 -1.26 -4.05 116.55 117.50 2kot n ASP 57 Ca 0.50 0.01 0.02 0.00 -0.01 0.00 0.00 54.79 55.31 2kot n ASP 57 Cb 0.39 -0.29 0.24 0.00 -1.03 0.00 0.00 41.12 40.44 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 -0.17 0.00 0.13 0.11 4.81 -2.02 -3.15 114.58 114.29 2kot h GLU 58 Ca -0.33 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.54 2kot h GLU 58 Cb 1.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 2kot h GLU 58 CO -0.10 0.50 -1.97 0.87 -0.73 0.00 0.00 179.01 177.58 2kot h LYS 59 N 0.00 0.27 -0.90 1.92 1.57 -1.86 -3.34 116.57 114.23 2kot h LYS 59 Ca -0.01 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2kot h LYS 59 Cb 1.01 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 2kot h LYS 59 CO 0.07 1.21 0.58 1.98 -0.57 0.00 0.00 179.45 182.72 2kot h MET 60 N 0.07 1.20 -0.47 3.15 4.05 -1.70 -0.85 114.93 120.39 2kot h MET 60 Ca -0.41 -0.08 -0.13 0.00 -0.28 0.00 0.00 59.70 58.79 2kot h MET 60 Cb 2.04 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 32.56 2kot h MET 60 CO 0.10 0.81 -0.23 0.87 0.23 0.00 0.00 176.91 178.69 2kot h LYS 61 N 1.23 0.98 0.00 0.39 1.57 -1.74 -2.55 116.57 116.46 2kot h LYS 61 Ca 0.33 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 2kot h LYS 61 Cb -0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2kot h LYS 61 CO -0.07 1.10 -0.42 0.77 -0.57 0.00 0.00 179.45 180.26 2kot h SER 62 N 0.83 0.00 0.21 0.86 0.02 -1.59 -3.33 113.55 110.54 2kot h SER 62 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2kot h SER 62 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2kot h SER 62 CO 0.07 0.42 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.01 2kot h LEU 63 N 0.00 -0.24 -6.81 5.07 3.38 -1.05 -3.37 115.31 112.29 2kot h LEU 63 Ca -0.00 0.01 -0.72 0.00 0.09 0.00 0.00 57.88 57.26 2kot h LEU 63 Cb 0.81 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 2kot h LEU 63 CO 0.06 -0.00 2.38 -0.67 0.09 0.00 0.00 178.44 180.29 2kot n ASP 64 N -3.66 4.63 0.11 -0.43 -0.08 -0.97 -4.41 116.55 111.74 2kot n ASP 64 Ca -0.03 -2.95 0.00 0.00 -1.51 0.00 0.00 54.79 50.30 2kot n ASP 64 Cb 0.11 -1.62 -0.02 0.00 2.34 0.00 0.00 41.12 41.93 2kot n ASP 64 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2kot h VAL 65 N 4.40 0.99 0.00 5.18 3.04 -1.74 -3.28 116.25 124.84 2kot h VAL 65 Ca 0.46 -2.44 -0.04 0.00 -1.01 0.00 0.00 66.70 63.67 2kot h VAL 65 Cb 0.73 2.46 -0.01 0.00 -2.01 0.00 0.00 31.29 32.46 2kot h VAL 65 CO 1.63 0.56 -0.19 -1.13 -1.01 0.00 0.00 177.57 177.43 2kot h ASN 66 N 0.00 0.00 -4.94 3.17 -1.24 -1.93 -3.48 115.58 107.16 2kot h ASN 66 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 2kot h ASN 66 Cb 1.50 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.55 2kot h ASN 66 CO 0.08 0.19 -0.07 0.00 -1.29 0.00 0.00 177.43 176.34 2kot n GLN 67 N -3.35 -1.23 -0.11 6.67 6.02 -1.24 -5.01 117.38 119.13 2kot n GLN 67 Ca 0.00 1.41 0.00 0.00 -0.01 0.00 0.00 57.00 58.40 2kot n GLN 67 Cb 0.41 -5.01 0.00 0.00 1.02 0.00 0.00 30.24 26.67 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 -1.43 0.00 -2.39 1.08 -0.08 -1.26 -5.03 116.55 107.45 2kot n ASP 68 Ca 0.02 -1.17 -0.19 0.00 -1.51 0.00 0.00 54.79 51.94 2kot n ASP 68 Cb 0.48 -0.03 -0.01 0.00 2.34 0.00 0.00 41.12 43.90 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 -5.46 -3.61 1.67 2.88 -1.26 -4.98 113.62 102.86 2kot n SER 69 Ca 0.00 0.04 -0.21 0.00 -1.33 0.00 0.00 58.87 57.37 2kot n SER 69 Cb 0.53 -4.57 -0.16 0.00 -0.75 0.00 0.00 64.21 59.27 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 -5.01 0.06 -1.04 -1.46 2.02 -1.26 -4.64 118.70 107.37 2kot s GLU 70 Ca 0.00 0.24 -0.16 0.00 0.02 0.00 0.00 54.97 55.08 2kot s GLU 70 Cb 0.00 -1.03 0.16 0.00 0.10 0.00 0.00 34.13 33.36 2kot s GLU 70 CO 0.00 -0.51 1.22 -0.51 0.02 0.00 0.00 175.26 175.48 2kot s LEU 71 N 2.23 5.28 0.86 1.80 1.02 -0.83 -4.94 118.68 124.10 2kot s LEU 71 Ca 0.04 -2.58 -0.11 0.00 0.02 0.00 0.00 54.13 51.50 2kot s LEU 71 Cb -0.14 -2.37 0.11 0.00 0.02 0.00 0.00 46.19 43.80 2kot s LEU 71 CO -0.08 -0.84 1.10 -0.75 0.02 0.00 0.00 176.35 175.79 2kot s LYS 72 N 1.77 1.57 0.60 1.70 2.20 -1.26 -0.59 119.74 125.74 2kot s LYS 72 Ca 0.35 1.06 0.35 0.00 -0.36 0.00 0.00 55.97 57.38 2kot s LYS 72 Cb -0.05 -1.83 1.95 0.00 -1.51 0.00 0.00 37.83 36.40 2kot s LYS 72 CO -0.06 -2.09 2.25 0.35 -0.36 0.00 0.00 175.35 175.44 2kot h PHE 73 N -1.45 0.00 -0.05 4.03 3.04 -1.96 0.85 116.94 121.40 2kot h PHE 73 Ca -0.47 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.33 2kot h PHE 73 Cb 1.26 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 2kot h PHE 73 CO 0.50 0.02 -0.66 -0.97 -2.02 0.00 0.00 178.31 175.18 2kot h ASN 74 N 0.00 0.24 0.13 0.41 -0.73 -1.96 -2.12 115.58 111.56 2kot h ASN 74 Ca -0.00 -0.15 -0.32 0.00 1.87 0.00 0.00 56.30 57.70 2kot h ASN 74 Cb 0.11 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 38.62 2kot h ASN 74 CO 0.00 0.83 -1.66 -0.33 -0.37 0.00 0.00 177.43 175.90 2kot h GLU 75 N 0.15 0.28 0.00 6.67 3.07 -1.32 -3.34 114.58 120.09 2kot h GLU 75 Ca -0.01 -0.48 -0.00 0.00 -0.50 0.00 0.00 59.36 58.37 2kot h GLU 75 Cb 1.19 0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 29.28 2kot h GLU 75 CO 0.10 1.23 -0.01 -0.92 -1.40 0.00 0.00 179.01 178.01 2kot h TYR 76 N -0.12 0.00 -1.19 4.33 3.20 0.55 -3.21 116.97 120.53 2kot h TYR 76 Ca -0.35 0.00 0.45 0.00 3.14 0.00 0.00 58.73 61.97 2kot h TYR 76 Cb 1.91 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 40.02 2kot h TYR 76 CO 0.10 0.01 0.72 1.87 -1.64 0.00 0.00 178.16 179.22 2kot n TRP 77 N -3.18 0.92 0.30 -3.82 -0.00 -0.80 -0.59 117.44 110.27 2kot n TRP 77 Ca -0.02 0.93 0.16 0.00 -0.00 0.00 0.00 57.50 58.57 2kot n TRP 77 Cb 0.13 -1.35 0.94 0.00 -0.00 0.00 0.00 31.31 31.03 2kot n TRP 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2kot h ARG 78 N 0.00 0.00 0.06 5.87 2.47 -1.84 -2.60 114.38 118.34 2kot h ARG 78 Ca 0.86 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 59.25 2kot h ARG 78 Cb 2.55 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.83 2kot h ARG 78 CO -0.61 0.03 -1.86 -0.11 0.56 0.00 0.00 179.97 177.98 2kot n LEU 79 N -3.61 1.73 -0.12 3.04 7.94 0.24 -3.57 117.00 122.65 2kot n LEU 79 Ca -0.03 0.31 -0.04 0.00 -1.11 0.00 0.00 56.01 55.14 2kot n LEU 79 Cb 0.12 -0.45 0.17 0.00 0.53 0.00 0.00 43.42 43.78 2kot n LEU 79 CO 0.26 0.62 0.92 0.40 -1.11 0.00 0.00 177.39 178.48 2kot h ILE 80 N 0.04 1.24 -0.20 1.96 1.08 -1.49 0.16 117.51 120.28 2kot h ILE 80 Ca -0.36 -0.93 -0.11 0.00 -0.39 0.00 0.00 64.86 63.07 2kot h ILE 80 Cb 2.03 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 2kot h ILE 80 CO 0.08 0.34 -0.36 1.23 -0.69 0.00 0.00 178.15 178.74 2kot h GLY 81 N 0.97 0.48 2.00 5.37 0.00 -1.63 -2.92 103.07 107.34 2kot h GLY 81 Ca 0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2kot h GLY 81 CO 0.01 0.40 -0.13 0.83 0.00 0.00 0.00 176.54 177.66 2kot h GLU 82 N 0.37 0.00 0.19 4.80 4.39 -1.51 -3.18 114.58 119.65 2kot h GLU 82 Ca 0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2kot h GLU 82 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2kot h GLU 82 CO 0.07 0.13 -0.09 1.25 -1.16 0.00 0.00 179.01 179.20 2kot h LEU 83 N 0.00 -0.22 -0.40 1.33 5.85 -0.50 0.33 115.31 121.70 2kot h LEU 83 Ca -0.00 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2kot h LEU 83 Cb 1.06 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2kot h LEU 83 CO 0.02 -0.09 -0.23 0.00 -0.34 0.00 0.00 178.44 177.80 2kot h ALA 84 N 0.47 0.89 -0.07 1.25 0.00 -1.69 -2.97 119.26 117.14 2kot h ALA 84 Ca -0.03 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2kot h ALA 84 Cb 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kot h ALA 84 CO 0.04 0.29 -0.44 -0.22 0.00 0.00 0.00 179.25 178.92 2kot h LYS 85 N 0.00 0.42 0.00 0.00 3.64 -1.50 -3.25 116.57 115.88 2kot h LYS 85 Ca -0.00 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2kot h LYS 85 Cb 1.03 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2kot h LYS 85 CO 0.03 1.00 0.00 0.93 -2.27 0.00 0.00 179.45 179.14 2kot h GLU 86 N -0.04 0.00 -0.15 1.90 4.39 -0.98 0.35 114.58 120.05 2kot h GLU 86 Ca -0.03 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 2kot h GLU 86 Cb 1.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2kot h GLU 86 CO 0.09 0.00 -0.26 0.97 -1.16 0.00 0.00 179.01 178.65 2kot h ILE 87 N 0.00 1.25 0.00 3.13 -0.00 -1.55 -3.25 117.51 117.08 2kot h ILE 87 Ca 0.00 -1.17 -0.13 0.00 -0.00 0.00 0.00 64.86 63.55 2kot h ILE 87 Cb 0.55 1.42 -0.02 0.00 -0.00 0.00 0.00 36.82 38.77 2kot h ILE 87 CO 0.00 0.36 -1.51 -2.11 -0.00 0.00 0.00 178.15 174.89 2kot n ARG 88 N -4.14 0.79 -3.51 2.19 1.85 -1.18 -4.87 116.66 107.79 2kot n ARG 88 Ca -0.01 0.04 -0.27 0.00 -1.00 0.00 0.00 57.85 56.61 2kot n ARG 88 Cb 0.38 -1.18 -0.09 0.00 -1.05 0.00 0.00 32.46 30.52 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 -2.65 2.11 -0.03 2.89 2.85 0.11 -4.86 118.16 118.57 2kot n LYS 89 Ca -0.15 -4.44 -0.22 0.00 -1.05 0.00 0.00 58.31 52.46 2kot n LYS 89 Cb 0.68 -2.14 -0.13 0.00 -0.65 0.00 0.00 35.03 32.79 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 1.23 0.70 -3.07 -1.58 2.85 -1.23 -4.36 118.16 112.70 2kot n LYS 90 Ca 0.27 0.33 -0.24 0.00 -1.05 0.00 0.00 58.31 57.61 2kot n LYS 90 Cb 0.41 -1.70 -0.04 0.00 -0.65 0.00 0.00 35.03 33.05 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 -3.71 2.31 -1.82 -1.58 5.02 -1.26 -5.00 118.16 112.12 2kot n LYS 91 Ca -0.34 -4.28 -0.41 0.00 -2.02 0.00 0.00 58.31 51.27 2kot n LYS 91 Cb 0.96 -2.01 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 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 0.10 3.68 0.08 4.39 5.75 -1.26 -3.24 116.55 126.04 2kot n ASP 92 Ca 0.28 -2.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.26 2kot n ASP 92 Cb 0.49 -1.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.02 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 7.99 -1.37 -0.07 -2.12 7.94 -1.26 -4.99 117.00 123.11 2kot n LEU 93 Ca 0.50 0.37 -0.16 0.00 -1.11 0.00 0.00 56.01 55.60 2kot n LEU 93 Cb 0.42 1.52 -0.14 0.00 0.53 0.00 0.00 43.42 45.76 2kot n LEU 93 CO 0.88 -0.07 -1.05 1.17 -1.11 0.00 0.00 177.39 177.20 2kot n LYS 94 N -2.79 0.69 -4.47 1.96 3.00 -1.24 -4.98 118.16 110.33 2kot n LYS 94 Ca 0.00 0.18 -0.21 0.00 -0.00 0.00 0.00 58.31 58.28 2kot n LYS 94 Cb 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 35.03 33.28 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 -2.54 1.08 -0.38 3.15 -4.36 -1.20 -5.07 121.20 111.89 2kot s ILE 95 Ca -0.23 -0.80 0.12 0.00 -0.26 0.00 0.00 60.65 59.47 2kot s ILE 95 Cb 0.08 -0.95 0.40 0.00 1.25 0.00 0.00 42.46 43.25 2kot s ILE 95 CO 0.72 0.14 1.17 -2.11 0.24 0.00 0.00 174.94 175.09 2kot n ARG 96 N 2.29 1.15 -2.98 0.37 1.85 -1.26 -4.27 116.66 113.81 2kot n ARG 96 Ca -0.16 -2.39 -0.03 0.00 -1.00 0.00 0.00 57.85 54.27 2kot n ARG 96 Cb 0.55 -0.62 -0.00 0.00 -1.05 0.00 0.00 32.46 31.33 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 -1.05 0.96 0.00 2.89 -2.85 -1.26 -5.18 119.74 113.25 2kot s LYS 97 Ca 0.25 -0.74 0.12 0.00 -1.00 0.00 0.00 55.97 54.59 2kot s LYS 97 Cb 0.41 -0.03 0.09 0.00 -2.06 0.00 0.00 37.83 36.24 2kot s LYS 97 CO -0.04 -1.27 0.87 1.17 0.10 0.00 0.00 175.35 176.18