#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kan n GLY 2 N 0.00 -1.20 2.88 3.03 0.00 -1.26 -5.12 105.19 103.52 2kan n GLY 2 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 2kan n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kan s HIS 3 N -3.00 0.20 -0.47 1.61 3.76 -1.26 -5.10 115.29 111.03 2kan s HIS 3 Ca 0.00 -0.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.92 2kan s HIS 3 Cb 0.00 -0.18 0.13 0.00 1.11 0.00 0.00 32.58 33.64 2kan s HIS 3 CO 0.00 -0.03 0.23 -1.01 -0.85 0.00 0.00 174.74 173.08 2kan s HIS 4 N 0.21 2.70 -0.00 1.40 0.09 -1.26 -5.09 115.29 113.33 2kan s HIS 4 Ca -0.02 -2.82 -0.21 0.00 -0.00 0.00 0.00 55.06 52.01 2kan s HIS 4 Cb -0.04 -2.43 -0.05 0.00 -0.00 0.00 0.00 32.58 30.06 2kan s HIS 4 CO -0.01 -0.78 0.63 -3.38 -0.00 0.00 0.00 174.74 171.20 2kan s HIS 5 N 0.11 3.68 0.20 1.40 -3.43 -1.26 -5.01 115.29 110.98 2kan s HIS 5 Ca 0.16 1.24 -0.30 0.00 -0.80 0.00 0.00 55.06 55.36 2kan s HIS 5 Cb -0.25 -2.65 -0.09 0.00 -1.43 0.00 0.00 32.58 28.16 2kan s HIS 5 CO -0.01 0.32 1.35 -3.38 -2.00 0.00 0.00 174.74 171.01 2kan s HIS 6 N -0.08 3.21 0.33 0.38 -3.43 -1.26 -5.03 115.29 109.40 2kan s HIS 6 Ca 0.32 1.13 0.03 0.00 -0.80 0.00 0.00 55.06 55.75 2kan s HIS 6 Cb -0.18 -3.66 0.03 0.00 -1.43 0.00 0.00 32.58 27.34 2kan s HIS 6 CO 0.18 -2.13 0.28 -2.39 -2.00 0.00 0.00 174.74 168.68 2kan n HIS 7 N 2.79 -1.23 -2.03 0.38 -0.00 -1.26 -5.05 115.22 108.82 2kan n HIS 7 Ca 0.07 -1.36 -0.43 0.00 -0.00 0.00 0.00 57.72 56.01 2kan n HIS 7 Cb 0.42 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.99 30.11 2kan n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kan s HIS 8 N -1.53 1.98 0.15 -1.40 5.65 -1.26 -4.91 115.29 113.96 2kan s HIS 8 Ca 0.21 0.37 -0.31 0.00 0.25 0.00 0.00 55.06 55.58 2kan s HIS 8 Cb -0.02 -3.95 -0.10 0.00 -1.18 0.00 0.00 32.58 27.33 2kan s HIS 8 CO 0.14 -3.46 1.64 -1.12 -0.65 0.00 0.00 174.74 171.28 2kan s SER 9 N 4.06 6.53 -0.41 9.88 0.01 -1.26 -4.97 113.70 127.55 2kan s SER 9 Ca 0.74 2.66 0.05 0.00 1.31 0.00 0.00 55.95 60.71 2kan s SER 9 Cb -0.29 -2.59 0.17 0.00 0.21 0.00 0.00 66.02 63.52 2kan s SER 9 CO 0.30 -0.88 0.48 -1.38 0.41 0.00 0.00 173.24 172.17 2kan s HIS 10 N 1.57 -0.66 -1.57 2.43 0.00 -1.26 -5.01 115.29 110.79 2kan s HIS 10 Ca 0.73 -0.71 0.20 0.00 -3.00 0.00 0.00 55.06 52.27 2kan s HIS 10 Cb -0.44 -0.19 0.60 0.00 -4.00 0.00 0.00 32.58 28.55 2kan s HIS 10 CO 0.32 -1.05 1.51 0.00 -1.00 0.00 0.00 174.74 174.52 2kan n ALA 11 N 3.94 2.51 0.62 -1.38 0.00 -1.26 -4.26 120.51 120.67 2kan n ALA 11 Ca 0.14 -1.37 0.04 0.00 0.00 0.00 0.00 53.44 52.26 2kan n ALA 11 Cb 0.50 -0.85 0.15 0.00 0.00 0.00 0.00 19.45 19.24 2kan n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kan n ALA 12 N 1.30 2.76 -2.19 0.00 0.00 -1.26 -4.86 120.51 116.26 2kan n ALA 12 Ca 0.23 -0.67 -0.28 0.00 0.00 0.00 0.00 53.44 52.72 2kan n ALA 12 Cb 0.65 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 19.10 2kan n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kan s VAL 13 N -1.66 4.70 -0.46 0.00 1.01 -1.26 -5.03 120.40 117.70 2kan s VAL 13 Ca 0.22 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.22 2kan s VAL 13 Cb 0.14 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.74 2kan s VAL 13 CO 0.11 -0.83 0.78 -0.13 0.00 0.00 0.00 175.10 175.02 2kan s ARG 14 N -4.83 3.38 -0.05 2.72 1.81 -1.26 -5.03 118.95 115.69 2kan s ARG 14 Ca 0.49 -0.17 -0.19 0.00 -1.72 0.00 0.00 55.73 54.14 2kan s ARG 14 Cb -0.10 -3.95 -0.05 0.00 -0.45 0.00 0.00 34.95 30.39 2kan s ARG 14 CO 0.46 -1.14 0.53 0.15 -0.68 0.00 0.00 175.30 174.63 2kan s LYS 15 N 3.27 4.27 0.25 3.54 3.01 -1.26 -2.69 119.74 130.13 2kan s LYS 15 Ca 0.29 0.59 0.08 0.00 -1.01 0.00 0.00 55.97 55.92 2kan s LYS 15 Cb -0.13 -3.36 -0.04 0.00 -1.01 0.00 0.00 37.83 33.29 2kan s LYS 15 CO 0.22 0.33 0.09 0.96 0.51 0.00 0.00 175.35 177.45 2kan s ILE 16 N 0.01 3.94 -0.38 2.17 -4.36 0.12 -4.88 121.20 117.83 2kan s ILE 16 Ca 0.28 -1.63 -0.13 0.00 -0.26 0.00 0.00 60.65 58.91 2kan s ILE 16 Cb -0.17 -3.11 0.01 0.00 1.25 0.00 0.00 42.46 40.44 2kan s ILE 16 CO 0.14 -0.34 0.26 -1.00 0.24 0.00 0.00 174.94 174.24 2kan s HIS 17 N -2.18 3.23 -0.15 1.37 3.76 -1.26 -1.32 115.29 118.74 2kan s HIS 17 Ca 0.32 -0.52 -0.12 0.00 -0.15 0.00 0.00 55.06 54.58 2kan s HIS 17 Cb -0.07 -2.52 -0.05 0.00 1.11 0.00 0.00 32.58 31.05 2kan s HIS 17 CO 0.22 -0.52 0.24 0.14 -0.85 0.00 0.00 174.74 173.97 2kan s VAL 18 N 1.67 5.34 -0.47 -0.90 -7.23 -0.42 -1.64 120.40 116.75 2kan s VAL 18 Ca 0.05 0.42 -0.25 0.00 -1.81 0.00 0.00 61.98 60.39 2kan s VAL 18 Cb -0.18 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.22 2kan s VAL 18 CO 0.09 0.45 0.91 -0.89 -0.31 0.00 0.00 175.10 175.36 2kan s THR 19 N 0.08 4.48 -0.37 5.32 2.01 0.17 -1.26 115.64 126.08 2kan s THR 19 Ca 0.15 0.66 -0.21 0.00 0.31 0.00 0.00 61.69 62.60 2kan s THR 19 Cb -0.13 -4.43 0.01 0.00 0.01 0.00 0.00 72.50 67.96 2kan s THR 19 CO 0.03 -0.85 0.67 -0.69 -0.69 0.00 0.00 174.62 173.09 2kan s VAL 20 N 3.72 4.84 -0.49 3.82 1.01 0.11 0.53 120.40 133.93 2kan s VAL 20 Ca 0.36 0.57 -0.21 0.00 0.00 0.00 0.00 61.98 62.70 2kan s VAL 20 Cb -0.11 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.19 2kan s VAL 20 CO 0.25 -0.40 0.70 -0.54 0.00 0.00 0.00 175.10 175.12 2kan s LYS 21 N 2.83 3.22 0.11 2.72 -0.14 0.16 -2.56 119.74 126.08 2kan s LYS 21 Ca 0.26 -0.57 0.06 0.00 -1.36 0.00 0.00 55.97 54.36 2kan s LYS 21 Cb -0.14 -4.04 -0.04 0.00 -1.68 0.00 0.00 37.83 31.93 2kan s LYS 21 CO 0.16 -1.21 -0.02 -0.06 -0.76 0.00 0.00 175.35 173.46 2kan s PHE 22 N 3.00 2.91 0.64 3.18 0.40 -0.92 -1.49 117.98 125.69 2kan s PHE 22 Ca 0.21 -0.08 0.44 0.00 -0.60 0.00 0.00 56.93 56.91 2kan s PHE 22 Cb -0.16 -1.48 2.40 0.00 0.51 0.00 0.00 43.02 44.28 2kan s PHE 22 CO 0.16 0.47 2.35 -1.35 0.70 0.00 0.00 175.22 177.56 2kan h PRO 23 N 3.33 0.00 0.00 0.24 0.11 -1.97 -3.20 132.00 130.51 2kan h PRO 23 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kan h PRO 23 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kan h PRO 23 CO 0.58 0.00 -0.63 0.43 -0.21 0.00 0.00 178.00 178.17 2kan n SER 24 N -3.06 1.77 -3.70 -2.05 7.64 -1.26 -5.07 113.62 107.88 2kan n SER 24 Ca -0.03 0.53 -0.13 0.00 1.01 0.00 0.00 58.87 60.25 2kan n SER 24 Cb 0.07 -0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 62.39 2kan n SER 24 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2kan s LYS 25 N -2.38 1.60 -0.00 1.43 -2.85 -1.21 -5.17 119.74 111.16 2kan s LYS 25 Ca -0.18 -1.65 0.06 0.00 -1.00 0.00 0.00 55.97 53.19 2kan s LYS 25 Cb 0.03 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 2kan s LYS 25 CO 0.27 -0.62 -0.17 -1.14 0.10 0.00 0.00 175.35 173.79 2kan s GLN 26 N -3.64 2.26 0.31 1.78 0.74 -1.26 -2.16 119.66 117.69 2kan s GLN 26 Ca 0.33 -0.85 -0.13 0.00 0.05 0.00 0.00 55.36 54.76 2kan s GLN 26 Cb 0.02 -2.25 0.02 0.00 1.10 0.00 0.00 33.01 31.89 2kan s GLN 26 CO 0.17 0.58 0.60 -0.59 -0.55 0.00 0.00 175.29 175.49 2kan s PHE 27 N -0.81 0.36 -0.01 1.67 -0.71 -1.06 -5.02 117.98 112.40 2kan s PHE 27 Ca 0.13 -0.79 0.07 0.00 -1.04 0.00 0.00 56.93 55.30 2kan s PHE 27 Cb -0.10 0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 42.07 2kan s PHE 27 CO 0.03 -1.22 -0.22 0.99 -1.34 0.00 0.00 175.22 173.46 2kan s THR 28 N -3.35 1.77 -0.04 -4.49 2.01 -1.26 0.03 115.64 110.31 2kan s THR 28 Ca 0.20 -1.00 0.06 0.00 0.31 0.00 0.00 61.69 61.27 2kan s THR 28 Cb -0.03 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 2kan s THR 28 CO 0.12 0.47 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.60 2kan s VAL 29 N -0.56 1.82 -0.45 3.82 1.01 -0.39 -4.94 120.40 120.71 2kan s VAL 29 Ca 0.09 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 2kan s VAL 29 Cb -0.09 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.78 2kan s VAL 29 CO -0.00 0.51 0.75 -1.61 0.00 0.00 0.00 175.10 174.75 2kan s GLU 30 N -0.27 3.37 0.03 2.72 2.02 -1.26 -1.30 118.70 124.02 2kan s GLU 30 Ca 0.01 -0.18 0.04 0.00 0.02 0.00 0.00 54.97 54.87 2kan s GLU 30 Cb -0.11 -3.94 -0.02 0.00 0.10 0.00 0.00 34.13 30.15 2kan s GLU 30 CO 0.02 -1.10 -0.13 0.14 0.02 0.00 0.00 175.26 174.21 2kan s VAL 31 N 3.18 0.99 0.42 2.63 -7.23 -0.44 -4.95 120.40 115.00 2kan s VAL 31 Ca 0.28 -0.93 -0.26 0.00 -1.81 0.00 0.00 61.98 59.26 2kan s VAL 31 Cb -0.13 -0.90 -0.09 0.00 0.56 0.00 0.00 36.38 35.82 2kan s VAL 31 CO 0.22 -0.02 1.34 -0.62 -0.31 0.00 0.00 175.10 175.70 2kan s ASP 32 N -1.09 6.18 0.35 4.85 -1.08 -1.26 0.12 116.67 124.74 2kan s ASP 32 Ca 0.00 2.73 0.27 0.00 -0.52 0.00 0.00 52.55 55.03 2kan s ASP 32 Cb -0.08 -2.64 0.97 0.00 -1.46 0.00 0.00 42.92 39.71 2kan s ASP 32 CO 0.01 -0.95 1.79 0.08 0.52 0.00 0.00 175.17 176.62 2kan h ARG 33 N 2.56 0.00 -0.66 4.34 0.11 -1.87 -1.65 114.38 117.22 2kan h ARG 33 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2kan h ARG 33 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2kan h ARG 33 CO 0.62 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.94 2kan n THR 34 N -2.59 0.87 -2.47 0.08 -2.24 -1.26 -0.64 114.28 106.03 2kan n THR 34 Ca 0.03 -0.88 -0.35 0.00 -2.27 0.00 0.00 64.05 60.58 2kan n THR 34 Cb 0.33 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 2kan n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kan s GLU 35 N -1.13 3.86 0.38 -0.78 2.56 -0.62 -4.70 118.70 118.28 2kan s GLU 35 Ca 0.44 1.50 -0.17 0.00 0.00 0.00 0.00 54.97 56.75 2kan s GLU 35 Cb 0.23 -2.28 -0.09 0.00 2.00 0.00 0.00 34.13 33.99 2kan s GLU 35 CO 0.30 -0.40 0.83 0.95 -0.56 0.00 0.00 175.26 176.38 2kan s THR 36 N -1.78 4.58 0.40 -1.70 -4.23 -1.26 -0.50 115.64 111.15 2kan s THR 36 Ca 0.64 1.11 0.08 0.00 -1.18 0.00 0.00 61.69 62.34 2kan s THR 36 Cb -0.21 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.29 2kan s THR 36 CO 0.25 -0.31 2.01 0.58 -0.54 0.00 0.00 174.62 176.61 2kan h VAL 37 N 1.76 1.04 -0.38 2.29 2.07 -0.64 -1.18 116.25 121.22 2kan h VAL 37 Ca -0.48 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 2kan h VAL 37 Cb 1.18 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2kan h VAL 37 CO 0.63 0.11 0.00 -1.28 0.02 0.00 0.00 177.57 177.06 2kan h SER 38 N 0.60 0.56 1.11 0.57 0.87 -1.45 -1.89 113.55 113.92 2kan h SER 38 Ca 0.23 -0.11 -0.19 0.00 -1.23 0.00 0.00 61.79 60.49 2kan h SER 38 Cb 0.16 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 2kan h SER 38 CO -0.06 0.62 -0.89 -1.28 -0.53 0.00 0.00 176.83 174.69 2kan h SER 39 N 0.56 0.00 0.20 6.23 0.87 -1.54 -2.13 113.55 117.74 2kan h SER 39 Ca 0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2kan h SER 39 Cb 0.35 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2kan h SER 39 CO 0.01 0.87 -0.12 0.25 -0.53 0.00 0.00 176.83 177.32 2kan h LEU 40 N 0.00 -0.29 -1.19 2.23 5.85 -0.60 -1.59 115.31 119.71 2kan h LEU 40 Ca -0.01 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2kan h LEU 40 Cb 1.68 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 2kan h LEU 40 CO 0.11 -0.19 -0.20 0.11 -0.34 0.00 0.00 178.44 177.93 2kan h LYS 41 N -0.30 0.31 -0.50 1.25 1.57 -1.40 -2.49 116.57 115.02 2kan h LYS 41 Ca -0.02 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2kan h LYS 41 Cb 0.25 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2kan h LYS 41 CO 0.02 0.51 0.25 0.22 -0.57 0.00 0.00 179.45 179.88 2kan h ASP 42 N 0.29 0.35 -0.44 0.86 3.58 -0.95 0.16 116.42 120.27 2kan h ASP 42 Ca 0.05 0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.39 2kan h ASP 42 Cb 0.52 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2kan h ASP 42 CO 0.03 0.25 -0.26 0.11 -2.88 0.00 0.00 179.24 176.49 2kan h LYS 43 N 0.49 0.97 -0.74 0.28 1.57 -1.03 -1.92 116.57 116.17 2kan h LYS 43 Ca 0.22 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2kan h LYS 43 Cb 0.13 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2kan h LYS 43 CO -0.16 1.10 0.48 0.82 -0.57 0.00 0.00 179.45 181.13 2kan h ILE 44 N 0.82 1.20 -0.03 1.86 2.04 -1.01 -1.20 117.51 121.19 2kan h ILE 44 Ca 0.10 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 2kan h ILE 44 Cb 0.84 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2kan h ILE 44 CO 0.07 0.19 -0.24 -0.74 0.00 0.00 0.00 178.15 177.43 2kan h HIS 45 N 1.01 0.06 -0.01 1.37 2.76 -0.16 0.64 115.15 120.82 2kan h HIS 45 Ca 0.27 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 2kan h HIS 45 Cb -0.09 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.85 2kan h HIS 45 CO 0.00 0.30 -0.03 0.82 -1.30 0.00 0.00 177.93 177.72 2kan h ILE 46 N 0.05 1.48 0.10 6.26 2.04 -0.50 -3.36 117.51 123.58 2kan h ILE 46 Ca 0.01 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 2kan h ILE 46 Cb 0.46 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 2kan h ILE 46 CO 0.03 0.38 -0.05 0.58 0.00 0.00 0.00 178.15 179.10 2kan h VAL 47 N -0.55 1.12 -3.51 1.67 2.07 -1.13 -3.43 116.25 112.47 2kan h VAL 47 Ca -0.00 -1.14 -0.63 0.00 0.82 0.00 0.00 66.70 65.74 2kan h VAL 47 Cb 0.64 1.81 -0.19 0.00 -1.52 0.00 0.00 31.29 32.03 2kan h VAL 47 CO 0.01 0.26 -0.58 -1.61 0.02 0.00 0.00 177.57 175.67 2kan s GLU 48 N -3.86 3.85 -1.32 1.57 0.41 0.22 -5.00 118.70 114.57 2kan s GLU 48 Ca -0.15 -0.39 -0.16 0.00 -0.41 0.00 0.00 54.97 53.86 2kan s GLU 48 Cb 0.01 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 2kan s GLU 48 CO 0.58 0.03 2.15 -1.71 -0.49 0.00 0.00 175.26 175.82 2kan n ASN 49 N 4.28 3.65 -3.91 -0.19 2.85 -1.26 -3.91 115.26 116.77 2kan n ASN 49 Ca -0.16 -2.81 -0.22 0.00 -0.11 0.00 0.00 54.58 51.28 2kan n ASN 49 Cb 0.52 -1.56 -0.17 0.00 1.24 0.00 0.00 39.78 39.81 2kan n ASN 49 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2kan s THR 50 N 3.68 0.68 0.24 -0.44 2.01 -1.26 -5.13 115.64 115.41 2kan s THR 50 Ca 0.50 -0.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.00 2kan s THR 50 Cb 0.13 -0.69 -0.14 0.00 0.01 0.00 0.00 72.50 71.81 2kan s THR 50 CO -0.04 0.27 1.30 -2.65 -0.69 0.00 0.00 174.62 172.81 2kan n PRO 51 N 4.17 1.77 0.27 4.92 -0.02 -1.26 -4.59 135.00 140.26 2kan n PRO 51 Ca -0.22 0.63 0.18 0.00 -2.02 0.00 0.00 63.50 62.07 2kan n PRO 51 Cb 0.51 -2.21 0.86 0.00 -0.02 0.00 0.00 33.50 32.63 2kan n PRO 51 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2kan h ILE 52 N 2.82 0.00 0.00 4.25 2.04 -1.91 -1.28 117.51 123.43 2kan h ILE 52 Ca -0.44 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 2kan h ILE 52 Cb 1.30 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2kan h ILE 52 CO 0.72 0.00 -0.25 0.11 0.00 0.00 0.00 178.15 178.73 2kan h LYS 53 N 0.00 0.00 0.02 2.37 1.57 -1.96 -3.32 116.57 115.25 2kan h LYS 53 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 2kan h LYS 53 Cb 0.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 2kan h LYS 53 CO 0.00 0.25 -2.03 0.54 -0.57 0.00 0.00 179.45 177.65 2kan n ARG 54 N -3.71 0.62 -2.66 3.15 1.74 -0.50 -4.77 116.66 110.53 2kan n ARG 54 Ca -0.01 0.34 -0.43 0.00 -0.77 0.00 0.00 57.85 56.98 2kan n ARG 54 Cb 0.36 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.16 2kan n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kan s MET 55 N -2.47 4.06 -0.12 5.56 0.23 -1.12 -0.53 119.30 124.91 2kan s MET 55 Ca -0.32 1.04 -0.01 0.00 -1.03 0.00 0.00 55.69 55.37 2kan s MET 55 Cb 0.10 -3.73 -0.02 0.00 -1.53 0.00 0.00 34.83 29.64 2kan s MET 55 CO 0.59 -0.88 -0.09 -1.14 -2.03 0.00 0.00 175.02 171.47 2kan s GLN 56 N 3.59 3.25 0.05 3.16 0.74 -0.34 -4.88 119.66 125.23 2kan s GLN 56 Ca 0.44 -0.60 -0.18 0.00 0.05 0.00 0.00 55.36 55.07 2kan s GLN 56 Cb -0.12 -2.69 -0.06 0.00 1.10 0.00 0.00 33.01 31.24 2kan s GLN 56 CO 0.15 0.36 0.52 -0.51 -0.55 0.00 0.00 175.29 175.26 2kan s LEU 57 N -0.01 4.50 -0.01 3.68 1.43 -1.26 -1.13 118.68 125.89 2kan s LEU 57 Ca -0.02 1.16 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 2kan s LEU 57 Cb -0.14 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 2kan s LEU 57 CO 0.03 0.28 -0.11 -0.31 0.23 0.00 0.00 176.35 176.48 2kan s TYR 58 N -1.12 0.98 -0.18 0.29 1.51 0.42 -0.12 117.35 119.12 2kan s TYR 58 Ca 0.28 -0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 56.13 2kan s TYR 58 Cb -0.18 -0.64 0.05 0.00 -0.11 0.00 0.00 41.96 41.08 2kan s TYR 58 CO 0.17 -0.03 -0.02 -0.47 -1.11 0.00 0.00 175.55 174.10 2kan s TYR 59 N -0.20 1.50 0.00 2.71 5.04 0.17 -0.05 117.35 126.52 2kan s TYR 59 Ca 0.03 -1.04 0.00 0.00 -2.44 0.00 0.00 57.07 53.62 2kan s TYR 59 Cb -0.05 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 41.05 2kan s TYR 59 CO -0.00 -0.62 0.00 0.45 -1.34 0.00 0.00 175.55 174.04 2kan n SER 60 N 4.92 0.00 0.00 4.32 2.88 -1.26 0.11 113.62 124.59 2kan n SER 60 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2kan n SER 60 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2kan n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kan n GLY 61 N 0.00 0.35 3.72 0.46 0.00 -1.26 -5.04 105.19 103.42 2kan n GLY 61 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2kan n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kan s ILE 62 N -0.44 5.37 0.02 -0.61 1.01 0.12 -5.08 121.20 121.58 2kan s ILE 62 Ca 0.00 0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.71 2kan s ILE 62 Cb 0.00 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 2kan s ILE 62 CO 0.00 0.41 0.69 -1.83 0.00 0.00 0.00 174.94 174.22 2kan s GLU 63 N 0.50 4.42 -1.28 2.79 1.03 -1.26 0.42 118.70 125.32 2kan s GLU 63 Ca 0.10 0.92 -0.06 0.00 0.03 0.00 0.00 54.97 55.96 2kan s GLU 63 Cb -0.12 -3.36 0.15 0.00 -0.80 0.00 0.00 34.13 30.00 2kan s GLU 63 CO 0.00 0.29 2.18 1.28 -1.33 0.00 0.00 175.26 177.68 2kan n LEU 64 N 2.87 7.59 0.11 1.83 4.77 0.82 -4.60 117.00 130.40 2kan n LEU 64 Ca -0.04 -4.88 0.04 0.00 -0.03 0.00 0.00 56.01 51.10 2kan n LEU 64 Cb 0.51 -1.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.23 2kan n LEU 64 CO 0.46 1.88 0.22 0.00 -1.33 0.00 0.00 177.39 178.61 2kan h ALA 65 N 4.89 0.68 -2.12 -1.18 0.00 -1.94 -3.40 119.26 116.21 2kan h ALA 65 Ca 0.59 -0.45 -0.67 0.00 0.00 0.00 0.00 54.91 54.38 2kan h ALA 65 Cb 0.40 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.07 2kan h ALA 65 CO 1.49 0.55 0.11 -0.51 0.00 0.00 0.00 179.25 180.88 2kan s ASP 66 N -6.06 6.27 0.32 0.00 1.11 -1.26 -4.92 116.67 112.12 2kan s ASP 66 Ca 0.02 -0.63 0.06 0.00 0.18 0.00 0.00 52.55 52.17 2kan s ASP 66 Cb 0.08 -2.31 0.54 0.00 1.07 0.00 0.00 42.92 42.30 2kan s ASP 66 CO 0.76 -0.86 1.79 0.44 1.18 0.00 0.00 175.17 178.48 2kan h ASP 67 N 8.97 0.36 1.19 0.27 5.19 -1.92 -3.08 116.42 127.39 2kan h ASP 67 Ca -0.26 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 2kan h ASP 67 Cb 1.09 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.51 2kan h ASP 67 CO 0.94 0.60 0.00 0.00 -3.12 0.00 0.00 179.24 177.66 2kan n TYR 68 N -4.16 0.56 -3.06 4.55 4.11 -1.26 -1.24 117.16 116.66 2kan n TYR 68 Ca -0.00 0.17 -0.31 0.00 -0.00 0.00 0.00 57.90 57.75 2kan n TYR 68 Cb 0.37 -0.78 -0.05 0.00 -0.00 0.00 0.00 39.34 38.88 2kan n TYR 68 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2kan s ARG 69 N -3.08 3.87 0.49 -3.48 0.52 -1.17 -4.83 118.95 111.27 2kan s ARG 69 Ca 0.11 0.52 -0.16 0.00 -0.52 0.00 0.00 55.73 55.68 2kan s ARG 69 Cb 0.14 -2.45 -0.08 0.00 0.52 0.00 0.00 34.95 33.09 2kan s ARG 69 CO 0.54 0.10 0.94 -0.80 0.02 0.00 0.00 175.30 176.09 2kan s ASN 70 N -2.68 6.62 0.47 0.23 0.01 -1.26 -0.98 114.94 117.35 2kan s ASN 70 Ca 0.52 1.49 0.12 0.00 -0.71 0.00 0.00 52.86 54.27 2kan s ASN 70 Cb -0.10 -2.47 1.07 0.00 0.41 0.00 0.00 41.25 40.16 2kan s ASN 70 CO 0.24 -0.54 2.11 -0.07 -1.51 0.00 0.00 177.10 177.33 2kan h LEU 71 N 1.04 0.23 -1.50 0.60 3.38 -0.88 -0.25 115.31 117.93 2kan h LEU 71 Ca -0.47 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.61 2kan h LEU 71 Cb 1.18 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2kan h LEU 71 CO 0.62 0.16 0.48 -1.13 0.09 0.00 0.00 178.44 178.66 2kan h ASN 72 N 0.27 0.50 0.55 -0.43 -1.24 -1.13 -2.02 115.58 112.08 2kan h ASN 72 Ca 0.08 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 2kan h ASN 72 Cb -0.02 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 2kan h ASN 72 CO -0.02 0.29 -0.11 -0.33 -1.29 0.00 0.00 177.43 175.97 2kan h GLU 73 N 0.55 0.00 0.00 6.67 4.39 -1.33 -1.88 114.58 122.98 2kan h GLU 73 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 2kan h GLU 73 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2kan h GLU 73 CO -0.12 0.11 -1.22 0.66 -1.16 0.00 0.00 179.01 177.29 2kan n TYR 74 N -3.44 0.03 -1.92 4.33 4.01 -0.81 -4.98 117.16 114.38 2kan n TYR 74 Ca -0.01 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kan n TYR 74 Cb 0.27 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 2kan n TYR 74 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kan n GLY 75 N 1.43 0.94 3.65 2.72 0.00 -0.71 -5.02 105.19 108.20 2kan n GLY 75 Ca 0.02 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2kan n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kan s ILE 76 N -2.69 4.62 0.35 -0.61 1.01 -0.92 -5.02 121.20 117.93 2kan s ILE 76 Ca 0.00 1.92 0.05 0.00 0.00 0.00 0.00 60.65 62.62 2kan s ILE 76 Cb 0.00 -4.34 0.05 0.00 0.01 0.00 0.00 42.46 38.18 2kan s ILE 76 CO 0.00 -0.28 0.45 1.07 0.00 0.00 0.00 174.94 176.18 2kan n THR 77 N 5.51 0.00 -2.12 2.92 5.66 -1.26 -4.73 114.28 120.26 2kan n THR 77 Ca 0.12 -1.19 -0.41 0.00 -3.05 0.00 0.00 64.05 59.52 2kan n THR 77 Cb 0.46 -0.64 -0.02 0.00 -1.55 0.00 0.00 70.33 68.58 2kan n THR 77 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2kan s GLU 78 N -3.56 4.36 -1.25 1.09 2.56 -1.26 -3.35 118.70 117.30 2kan s GLU 78 Ca 0.34 2.20 -0.02 0.00 0.00 0.00 0.00 54.97 57.50 2kan s GLU 78 Cb -0.03 -3.08 -0.01 0.00 2.00 0.00 0.00 34.13 33.01 2kan s GLU 78 CO 0.22 -0.20 0.80 1.19 -0.56 0.00 0.00 175.26 176.71 2kan n PHE 79 N 1.04 -2.03 -3.78 5.30 3.72 -0.65 -4.95 117.46 116.12 2kan n PHE 79 Ca 0.01 0.85 -0.34 0.00 -0.05 0.00 0.00 57.45 57.91 2kan n PHE 79 Cb 0.42 -4.51 -0.05 0.00 -0.94 0.00 0.00 39.48 34.40 2kan n PHE 79 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2kan s SER 80 N -4.24 6.47 -0.21 4.37 1.04 -1.13 -4.86 113.70 115.15 2kan s SER 80 Ca 0.06 0.52 -0.20 0.00 0.48 0.00 0.00 55.95 56.82 2kan s SER 80 Cb -0.01 -2.07 -0.03 0.00 0.10 0.00 0.00 66.02 64.01 2kan s SER 80 CO 0.79 0.24 0.60 -1.61 0.98 0.00 0.00 173.24 174.24 2kan s GLU 81 N -1.86 4.19 -0.33 4.02 8.01 -1.26 0.46 118.70 131.93 2kan s GLU 81 Ca 0.28 0.56 -0.08 0.00 0.01 0.00 0.00 54.97 55.74 2kan s GLU 81 Cb -0.13 -3.59 0.02 0.00 -4.31 0.00 0.00 34.13 26.12 2kan s GLU 81 CO 0.17 -0.25 0.12 0.42 0.01 0.00 0.00 175.26 175.74 2kan s ILE 82 N 1.94 4.10 -0.44 -1.63 -1.09 0.19 -4.41 121.20 119.85 2kan s ILE 82 Ca 0.27 -0.83 -0.24 0.00 -2.23 0.00 0.00 60.65 57.63 2kan s ILE 82 Cb -0.16 -3.21 0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2kan s ILE 82 CO 0.10 -0.06 0.82 -0.69 -1.23 0.00 0.00 174.94 173.88 2kan s VAL 83 N 1.49 4.62 -0.44 2.92 1.01 0.93 -0.67 120.40 130.26 2kan s VAL 83 Ca 0.01 0.57 -0.18 0.00 0.00 0.00 0.00 61.98 62.39 2kan s VAL 83 Cb -0.18 -4.33 0.03 0.00 0.00 0.00 0.00 36.38 31.90 2kan s VAL 83 CO 0.04 -0.70 0.50 -0.69 0.00 0.00 0.00 175.10 174.24 2kan s VAL 84 N 3.37 5.02 -0.28 2.92 1.01 -0.56 -0.44 120.40 131.45 2kan s VAL 84 Ca 0.32 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 2kan s VAL 84 Cb -0.12 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2kan s VAL 84 CO 0.23 -0.52 0.56 -0.36 0.00 0.00 0.00 175.10 175.01 2kan s PHE 85 N 2.29 3.24 -0.44 5.22 0.08 -0.28 -4.56 117.98 123.54 2kan s PHE 85 Ca 0.14 0.59 -0.25 0.00 0.12 0.00 0.00 56.93 57.53 2kan s PHE 85 Cb -0.17 -2.84 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 2kan s PHE 85 CO 0.14 -0.37 0.91 -0.51 -0.10 0.00 0.00 175.22 175.28 2kan s LEU 86 N 2.43 4.03 -0.27 -0.37 1.43 -1.26 -1.20 118.68 123.47 2kan s LEU 86 Ca 0.23 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.47 2kan s LEU 86 Cb -0.15 -3.18 0.01 0.00 0.03 0.00 0.00 46.19 42.90 2kan s LEU 86 CO 0.10 -1.00 0.01 -0.54 0.23 0.00 0.00 176.35 175.15 2kan s LYS 87 N 3.65 3.02 -0.78 1.70 1.02 0.31 -4.97 119.74 123.68 2kan s LYS 87 Ca 0.36 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 55.21 2kan s LYS 87 Cb -0.11 -3.16 0.03 0.00 -0.52 0.00 0.00 37.83 34.07 2kan s LYS 87 CO 0.24 -0.39 1.39 0.45 -0.92 0.00 0.00 175.35 176.12 2kan s SER 88 N 1.42 6.11 0.50 2.83 0.15 -1.26 -4.30 113.70 119.15 2kan s SER 88 Ca 0.02 -0.57 -0.23 0.00 0.70 0.00 0.00 55.95 55.87 2kan s SER 88 Cb -0.17 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.52 2kan s SER 88 CO -0.01 -1.85 1.35 0.27 1.20 0.00 0.00 173.24 174.19 2kan s ILE 89 N 6.03 2.26 0.46 6.45 -0.00 -1.26 -5.03 121.20 130.11 2kan s ILE 89 Ca 0.41 0.21 0.07 0.00 -0.00 0.00 0.00 60.65 61.34 2kan s ILE 89 Cb -0.07 -3.11 0.00 0.00 -0.00 0.00 0.00 42.46 39.28 2kan s ILE 89 CO 0.10 0.01 0.44 0.20 -0.00 0.00 0.00 174.94 175.69 2kan s ASN 90 N -0.87 5.02 -0.62 4.36 0.01 -1.26 -5.06 114.94 116.52 2kan s ASN 90 Ca 0.66 -0.83 -0.23 0.00 -0.71 0.00 0.00 52.86 51.76 2kan s ASN 90 Cb -0.40 -0.30 0.06 0.00 0.41 0.00 0.00 41.25 41.03 2kan s ASN 90 CO 0.48 -0.82 0.92 -0.13 -1.51 0.00 0.00 177.10 176.05 2kan s ARG 91 N -4.23 3.16 0.79 -0.60 1.81 -1.26 -5.02 118.95 113.59 2kan s ARG 91 Ca 0.47 -0.73 -0.10 0.00 -1.72 0.00 0.00 55.73 53.66 2kan s ARG 91 Cb -0.04 -4.18 0.09 0.00 -0.45 0.00 0.00 34.95 30.38 2kan s ARG 91 CO 0.28 -1.69 1.12 0.00 -0.68 0.00 0.00 175.30 174.34 2kan s ALA 92 N 3.88 2.86 -0.24 2.13 0.00 -1.26 -5.04 121.76 124.09 2kan s ALA 92 Ca 0.23 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 2kan s ALA 92 Cb -0.16 -2.72 -0.15 0.00 0.00 0.00 0.00 23.12 20.08 2kan s ALA 92 CO 0.12 -1.63 -0.06 1.17 0.00 0.00 0.00 175.76 175.36 2kan n LYS 93 N -3.20 0.57 0.00 0.00 0.00 -1.26 -5.34 118.16 108.94 2kan n LYS 93 Ca 0.10 0.43 0.01 0.00 0.00 0.00 0.00 58.31 58.85 2kan n LYS 93 Cb 0.60 -1.63 0.01 0.00 0.00 0.00 0.00 35.03 34.02 2kan n LYS 93 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00