#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kct s ILE 7 N 0.00 3.23 -0.48 0.00 -4.36 -1.26 -4.41 121.20 113.92 3kct s ILE 7 Ca 0.00 -1.71 -0.20 0.00 -0.26 0.00 0.00 60.65 58.48 3kct s ILE 7 Cb 0.00 -2.98 0.04 0.00 1.25 0.00 0.00 42.46 40.77 3kct s ILE 7 CO 0.00 -0.24 0.62 -0.63 0.24 0.00 0.00 174.94 174.93 3kct s ILE 8 N -2.38 4.87 0.78 8.37 1.01 -1.26 -5.02 121.20 127.57 3kct s ILE 8 Ca 0.36 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 3kct s ILE 8 Cb -0.04 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.24 3kct s ILE 8 CO 0.22 -0.71 1.14 -0.54 0.00 0.00 0.00 174.94 175.06 3kct s LYS 9 N 2.68 2.23 0.48 2.79 1.02 -1.26 -4.96 119.74 122.73 3kct s LYS 9 Ca 0.17 0.27 0.23 0.00 0.02 0.00 0.00 55.97 56.66 3kct s LYS 9 Cb -0.17 -1.97 1.24 0.00 -0.52 0.00 0.00 37.83 36.41 3kct s LYS 9 CO 0.14 -1.44 2.01 0.93 -0.92 0.00 0.00 175.35 176.08 3kct h GLU 10 N -0.94 0.00 -5.56 1.68 5.08 -1.96 -3.40 114.58 109.48 3kct h GLU 10 Ca -0.46 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.22 3kct h GLU 10 Cb 1.30 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.23 3kct h GLU 10 CO 0.65 0.17 -0.87 0.12 -1.00 0.00 0.00 179.01 178.08 3kct s PHE 11 N -4.24 2.56 -0.04 4.33 5.36 -1.26 -3.67 117.98 121.01 3kct s PHE 11 Ca -0.03 -0.88 -0.02 0.00 -0.96 0.00 0.00 56.93 55.03 3kct s PHE 11 Cb 0.14 -1.69 0.02 0.00 -0.34 0.00 0.00 43.02 41.15 3kct s PHE 11 CO 0.63 -0.32 0.10 -1.64 -1.46 0.00 0.00 175.22 172.53 3kct s MET 12 N 0.16 0.07 0.38 10.12 -1.94 -0.59 -5.00 119.30 122.51 3kct s MET 12 Ca -0.13 0.23 -0.01 0.00 -1.71 0.00 0.00 55.69 54.08 3kct s MET 12 Cb -0.16 -0.10 -0.03 0.00 2.01 0.00 0.00 34.83 36.55 3kct s MET 12 CO 0.07 -0.10 0.61 1.03 -0.01 0.00 0.00 175.02 176.62 3kct s ARG 13 N 0.68 3.45 0.04 2.03 0.52 -1.26 -1.01 118.95 123.40 3kct s ARG 13 Ca -0.05 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 54.90 3kct s ARG 13 Cb -0.07 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 3kct s ARG 13 CO -0.03 0.04 -0.01 -0.59 0.02 0.00 0.00 175.30 174.73 3kct s PHE 14 N -2.43 0.41 0.02 -0.53 -0.12 -0.23 -1.15 117.98 113.95 3kct s PHE 14 Ca 0.42 -0.86 0.05 0.00 -0.05 0.00 0.00 56.93 56.49 3kct s PHE 14 Cb -0.10 -0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 41.97 3kct s PHE 14 CO 0.38 -0.33 -0.15 0.15 -0.05 0.00 0.00 175.22 175.21 3kct s LYS 15 N -3.15 1.10 -0.00 1.99 -0.14 -0.38 -0.03 119.74 119.12 3kct s LYS 15 Ca -0.00 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 3kct s LYS 15 Cb 0.02 -1.10 -0.00 0.00 -1.68 0.00 0.00 37.83 35.07 3kct s LYS 15 CO -0.07 0.29 -0.01 0.54 -0.76 0.00 0.00 175.35 175.33 3kct s VAL 16 N -0.64 0.12 -0.05 3.17 0.11 -0.40 -0.96 120.40 121.74 3kct s VAL 16 Ca 0.04 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 3kct s VAL 16 Cb -0.07 -0.11 0.02 0.00 -1.53 0.00 0.00 36.38 34.69 3kct s VAL 16 CO 0.01 0.03 -0.09 -2.28 -3.33 0.00 0.00 175.10 169.44 3kct s HIS 17 N -0.02 1.15 -0.09 1.54 2.46 -0.73 -0.83 115.29 118.78 3kct s HIS 17 Ca 0.00 -0.38 0.05 0.00 0.47 0.00 0.00 55.06 55.20 3kct s HIS 17 Cb -0.01 -0.88 -0.00 0.00 -0.13 0.00 0.00 32.58 31.56 3kct s HIS 17 CO -0.00 -0.23 -0.24 1.41 -2.47 0.00 0.00 174.74 173.21 3kct s MET 18 N 0.71 2.90 -0.19 2.88 0.00 0.55 -0.52 119.30 125.62 3kct s MET 18 Ca -0.13 -0.88 -0.05 0.00 0.00 0.00 0.00 55.69 54.63 3kct s MET 18 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 34.83 32.40 3kct s MET 18 CO 0.02 0.24 0.01 -1.21 0.00 0.00 0.00 175.02 174.08 3kct s GLU 19 N 0.20 3.72 0.04 4.11 2.02 -0.48 -1.06 118.70 127.25 3kct s GLU 19 Ca -0.15 -0.47 -0.02 0.00 0.02 0.00 0.00 54.97 54.35 3kct s GLU 19 Cb -0.17 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 3kct s GLU 19 CO 0.07 0.13 -0.00 0.20 0.02 0.00 0.00 175.26 175.68 3kct s GLY 20 N 0.69 0.37 -0.13 -1.39 0.00 -0.47 -0.59 107.32 105.79 3kct s GLY 20 Ca 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 3kct s GLY 20 CO 0.02 -1.08 0.28 -0.45 0.00 0.00 0.00 173.10 171.88 3kct s SER 21 N -2.50 0.12 -0.17 1.64 0.15 -0.76 -1.28 113.70 110.89 3kct s SER 21 Ca 0.00 0.64 0.01 0.00 0.70 0.00 0.00 55.95 57.30 3kct s SER 21 Cb 0.03 0.72 0.03 0.00 -1.71 0.00 0.00 66.02 65.08 3kct s SER 21 CO -0.07 -0.22 -0.14 -0.69 1.20 0.00 0.00 173.24 173.31 3kct s VAL 22 N 2.16 1.67 -1.23 4.45 1.01 -0.25 -0.01 120.40 128.19 3kct s VAL 22 Ca -0.02 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3kct s VAL 22 Cb -0.11 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3kct s VAL 22 CO -0.09 0.40 0.00 0.59 0.00 0.00 0.00 175.10 176.00 3kct n ASN 23 N 4.72 -4.38 0.00 3.32 4.13 0.48 -1.24 115.26 122.29 3kct n ASN 23 Ca -0.17 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.23 3kct n ASN 23 Cb 0.49 -3.70 0.00 0.00 -1.54 0.00 0.00 39.78 35.03 3kct n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kct n GLY 24 N -0.86 1.40 3.64 7.41 0.00 -1.26 -5.05 105.19 110.47 3kct n GLY 24 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3kct n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kct s HIS 25 N -2.33 3.19 -0.23 1.61 5.04 -0.37 -5.02 115.29 117.18 3kct s HIS 25 Ca 0.00 1.16 -0.11 0.00 -1.54 0.00 0.00 55.06 54.58 3kct s HIS 25 Cb 0.00 -3.54 -0.05 0.00 0.04 0.00 0.00 32.58 29.03 3kct s HIS 25 CO 0.00 -0.68 0.16 0.08 -2.34 0.00 0.00 174.74 171.96 3kct s VAL 26 N 3.45 5.36 0.27 0.89 1.01 -1.26 -1.09 120.40 129.03 3kct s VAL 26 Ca 0.43 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 3kct s VAL 26 Cb -0.13 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 3kct s VAL 26 CO 0.13 0.36 0.44 0.72 0.00 0.00 0.00 175.10 176.75 3kct s PHE 27 N 0.95 0.67 0.03 5.22 -0.12 -0.41 -4.32 117.98 120.00 3kct s PHE 27 Ca 0.08 -0.98 -0.02 0.00 -0.05 0.00 0.00 56.93 55.96 3kct s PHE 27 Cb -0.13 0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.27 3kct s PHE 27 CO 0.04 -1.01 0.02 -1.21 -0.05 0.00 0.00 175.22 173.01 3kct s GLU 28 N -3.70 0.44 -0.01 1.99 2.02 -0.42 -1.37 118.70 117.65 3kct s GLU 28 Ca 0.27 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.58 3kct s GLU 28 Cb 0.00 0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.39 3kct s GLU 28 CO 0.13 -0.09 -0.11 0.42 0.02 0.00 0.00 175.26 175.63 3kct s ILE 29 N -2.09 0.87 -0.02 -1.63 1.01 -0.23 -1.07 121.20 118.04 3kct s ILE 29 Ca -0.10 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.16 3kct s ILE 29 Cb -0.05 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 3kct s ILE 29 CO -0.03 0.25 -0.23 -1.61 0.00 0.00 0.00 174.94 173.32 3kct s GLU 30 N -0.24 1.87 0.05 2.79 2.02 -0.60 -0.33 118.70 124.26 3kct s GLU 30 Ca 0.04 -0.83 -0.05 0.00 0.02 0.00 0.00 54.97 54.14 3kct s GLU 30 Cb -0.04 -1.81 -0.01 0.00 0.10 0.00 0.00 34.13 32.36 3kct s GLU 30 CO -0.00 0.50 0.10 0.20 0.02 0.00 0.00 175.26 176.07 3kct s GLY 31 N -0.56 0.20 -0.10 -1.39 0.00 -0.01 -0.86 107.32 104.61 3kct s GLY 31 Ca 0.09 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.19 3kct s GLY 31 CO -0.01 -0.79 -0.17 -0.54 0.00 0.00 0.00 173.10 171.60 3kct s GLU 32 N -2.99 2.28 0.30 2.90 2.02 -0.49 -1.27 118.70 121.45 3kct s GLU 32 Ca -0.02 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.43 3kct s GLU 32 Cb 0.01 -1.86 -0.06 0.00 0.10 0.00 0.00 34.13 32.32 3kct s GLU 32 CO -0.06 0.02 -0.01 0.20 0.02 0.00 0.00 175.26 175.42 3kct s GLY 33 N 0.74 1.95 0.12 -1.39 0.00 0.95 -0.91 107.32 108.79 3kct s GLY 33 Ca -0.12 -1.98 -0.21 0.00 0.00 0.00 0.00 44.72 42.41 3kct s GLY 33 CO 0.02 -1.85 0.52 -1.83 0.00 0.00 0.00 173.10 169.97 3kct s GLU 34 N -3.78 1.16 -0.03 2.90 -1.05 -0.63 -1.06 118.70 116.21 3kct s GLU 34 Ca 0.32 -0.48 -0.13 0.00 -0.15 0.00 0.00 54.97 54.53 3kct s GLU 34 Cb 0.06 0.53 0.04 0.00 -0.44 0.00 0.00 34.13 34.32 3kct s GLU 34 CO 0.13 -0.47 0.58 0.41 0.95 0.00 0.00 175.26 176.86 3kct n GLY 35 N -0.15 0.31 2.88 -3.83 0.00 -0.18 -1.01 105.19 103.21 3kct n GLY 35 Ca -0.17 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 3kct n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kct s ARG 36 N -2.00 1.58 0.47 1.61 0.52 0.02 -1.54 118.95 119.61 3kct s ARG 36 Ca 0.14 -2.18 0.18 0.00 -0.52 0.00 0.00 55.73 53.35 3kct s ARG 36 Cb -0.00 -2.91 1.15 0.00 0.52 0.00 0.00 34.95 33.70 3kct s ARG 36 CO -0.01 -1.08 2.02 -1.35 0.02 0.00 0.00 175.30 174.90 3kct h PRO 37 N 6.91 0.00 0.00 3.54 0.11 -1.79 0.05 132.00 140.82 3kct h PRO 37 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3kct h PRO 37 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3kct h PRO 37 CO 0.58 0.16 -0.21 0.66 -0.21 0.00 0.00 178.00 178.99 3kct n TYR 38 N -4.13 0.82 0.90 0.65 4.02 -1.26 -3.73 117.16 114.43 3kct n TYR 38 Ca -0.02 0.24 0.09 0.00 -0.01 0.00 0.00 57.90 58.20 3kct n TYR 38 Cb 0.24 -0.86 -0.08 0.00 -0.02 0.00 0.00 39.34 38.63 3kct n TYR 38 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3kct n GLU 39 N -2.23 0.89 -1.58 -0.72 1.02 -0.09 -4.55 120.64 113.40 3kct n GLU 39 Ca 0.05 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 3kct n GLU 39 Cb 0.43 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3kct n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kct n GLY 40 N 1.41 0.38 3.18 0.62 0.00 -0.65 -4.63 105.19 105.51 3kct n GLY 40 Ca 0.05 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 3kct n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kct s THR 41 N -2.00 1.42 0.14 2.61 -4.23 -1.19 -0.26 115.64 112.12 3kct s THR 41 Ca 0.00 -0.85 -0.18 0.00 -1.18 0.00 0.00 61.69 59.48 3kct s THR 41 Cb 0.00 -1.19 0.04 0.00 1.34 0.00 0.00 72.50 72.69 3kct s THR 41 CO 0.00 0.33 0.46 0.00 -0.54 0.00 0.00 174.62 174.87 3kct s GLN 42 N -0.60 1.15 0.07 3.99 -2.07 -0.85 -0.80 119.66 120.55 3kct s GLN 42 Ca 0.06 -0.68 0.03 0.00 -1.82 0.00 0.00 55.36 52.96 3kct s GLN 42 Cb -0.07 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 3kct s GLN 42 CO -0.00 -0.47 -0.10 0.95 -1.32 0.00 0.00 175.29 174.35 3kct s THR 43 N -3.80 0.82 -0.00 3.63 -4.23 -0.18 -1.57 115.64 110.32 3kct s THR 43 Ca 0.03 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3kct s THR 43 Cb 0.01 -1.07 -0.00 0.00 1.34 0.00 0.00 72.50 72.77 3kct s THR 43 CO -0.11 -0.45 -0.03 0.00 -0.54 0.00 0.00 174.62 173.49 3kct s ALA 44 N -1.94 0.21 -0.23 3.99 0.00 -0.15 -1.60 121.76 122.04 3kct s ALA 44 Ca -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3kct s ALA 44 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3kct s ALA 44 CO 0.00 0.05 0.00 0.21 0.00 0.00 0.00 175.76 176.03 3kct s LYS 45 N -0.05 3.50 -0.06 0.00 2.20 -0.09 -0.90 119.74 124.34 3kct s LYS 45 Ca 0.01 -0.56 0.04 0.00 -0.36 0.00 0.00 55.97 55.10 3kct s LYS 45 Cb -0.01 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 3kct s LYS 45 CO -0.00 -0.19 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.12 3kct s LEU 46 N 1.51 2.50 -0.08 5.43 2.01 0.11 -1.40 118.68 128.76 3kct s LEU 46 Ca 0.06 -0.33 0.04 0.00 0.01 0.00 0.00 54.13 53.92 3kct s LEU 46 Cb -0.15 -1.50 -0.00 0.00 0.01 0.00 0.00 46.19 44.55 3kct s LEU 46 CO -0.00 0.28 -0.22 -0.54 1.01 0.00 0.00 176.35 176.88 3kct s LYS 47 N -0.37 2.59 -0.50 1.70 1.02 -0.04 -1.11 119.74 123.04 3kct s LYS 47 Ca 0.03 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 54.95 3kct s LYS 47 Cb -0.12 -2.05 0.03 0.00 -0.52 0.00 0.00 37.83 35.16 3kct s LYS 47 CO 0.02 0.21 1.20 0.08 -0.92 0.00 0.00 175.35 175.94 3kct s VAL 48 N 0.24 4.11 -0.11 3.17 1.01 0.51 -1.56 120.40 127.77 3kct s VAL 48 Ca -0.13 1.09 0.16 0.00 0.00 0.00 0.00 61.98 63.10 3kct s VAL 48 Cb -0.16 -4.58 -0.19 0.00 0.00 0.00 0.00 36.38 31.45 3kct s VAL 48 CO 0.06 -1.07 0.63 0.35 0.00 0.00 0.00 175.10 175.08 3kct n THR 49 N 6.85 1.25 -4.40 3.92 -2.24 -0.23 -4.66 114.28 114.76 3kct n THR 49 Ca 0.12 -0.73 -0.20 0.00 -2.27 0.00 0.00 64.05 60.97 3kct n THR 49 Cb 0.49 -0.72 -0.15 0.00 -2.10 0.00 0.00 70.33 67.85 3kct n THR 49 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kct s LYS 50 N -2.81 0.90 0.00 -0.78 1.02 -1.08 -4.90 119.74 112.09 3kct s LYS 50 Ca -0.05 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.62 3kct s LYS 50 Cb 0.08 -0.85 0.00 0.00 -0.52 0.00 0.00 37.83 36.55 3kct s LYS 50 CO 0.82 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.81 3kct n GLY 51 N 3.12 0.74 3.78 -3.33 0.00 -1.26 -1.30 105.19 106.94 3kct n GLY 51 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3kct n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kct s GLY 52 N -1.48 2.51 0.46 -0.02 0.00 -1.26 -4.18 107.32 103.35 3kct s GLY 52 Ca 0.00 0.70 -0.19 0.00 0.00 0.00 0.00 44.72 45.23 3kct s GLY 52 CO 0.00 1.04 0.96 2.56 0.00 0.00 0.00 173.10 177.66 3kct s PRO 53 N -3.40 4.14 0.13 2.90 0.04 -1.26 -5.13 135.00 132.41 3kct s PRO 53 Ca 0.70 1.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 3kct s PRO 53 Cb -0.21 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 3kct s PRO 53 CO 0.27 -0.11 0.91 -0.51 0.04 0.00 0.00 177.00 177.61 3kct s LEU 54 N -3.47 4.53 -0.22 -3.56 1.43 -1.26 -4.94 118.68 111.20 3kct s LEU 54 Ca 0.61 1.76 0.01 0.00 -1.03 0.00 0.00 54.13 55.47 3kct s LEU 54 Cb -0.09 -3.51 0.23 0.00 0.03 0.00 0.00 46.19 42.84 3kct s LEU 54 CO 0.19 0.01 1.65 -0.81 0.23 0.00 0.00 176.35 177.62 3kct n PRO 55 N 2.47 1.57 -3.89 1.29 -0.04 -1.26 -4.85 135.00 130.29 3kct n PRO 55 Ca 0.00 -1.24 -0.08 0.00 -0.04 0.00 0.00 63.50 62.15 3kct n PRO 55 Cb 0.49 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 3kct n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kct s PHE 56 N -1.39 -0.00 0.30 0.54 -0.12 -1.26 -4.65 117.98 111.39 3kct s PHE 56 Ca 0.24 -0.46 -0.29 0.00 -0.05 0.00 0.00 56.93 56.37 3kct s PHE 56 Cb 0.19 0.60 -0.10 0.00 -0.63 0.00 0.00 43.02 43.09 3kct s PHE 56 CO 0.02 -1.23 1.14 -0.08 -0.05 0.00 0.00 175.22 175.02 3kct s THR 57 N -3.71 3.34 0.20 -4.49 -1.32 -0.34 -4.91 115.64 104.42 3kct s THR 57 Ca 0.14 1.32 0.35 0.00 -1.21 0.00 0.00 61.69 62.29 3kct s THR 57 Cb -0.05 -3.82 0.37 0.00 -1.51 0.00 0.00 72.50 67.49 3kct s THR 57 CO 0.08 0.29 2.06 -0.25 -2.21 0.00 0.00 174.62 174.59 3kct h TRP 58 N 3.57 0.00 0.00 9.09 2.91 -1.96 -3.23 115.95 126.34 3kct h TRP 58 Ca -0.47 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.52 3kct h TRP 58 Cb 1.22 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.86 3kct h TRP 58 CO 0.58 0.00 -0.12 -0.44 -1.03 0.00 0.00 178.44 177.43 3kct h ASP 59 N 0.00 0.00 0.84 2.65 3.32 -1.94 0.17 116.42 121.47 3kct h ASP 59 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kct h ASP 59 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3kct h ASP 59 CO 0.00 0.12 0.00 2.30 -1.72 0.00 0.00 179.24 179.94 3kct n ILE 60 N -4.28 0.77 -0.08 0.35 -5.35 -1.22 -3.83 119.36 105.71 3kct n ILE 60 Ca -0.03 0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.47 3kct n ILE 60 Cb 0.20 -0.99 -0.15 0.00 -1.74 0.00 0.00 39.64 36.96 3kct n ILE 60 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3kct n LEU 61 N -2.08 0.65 -0.04 7.28 4.77 0.51 -4.56 117.00 123.53 3kct n LEU 61 Ca 0.03 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.20 3kct n LEU 61 Cb 0.26 0.19 0.51 0.00 -2.33 0.00 0.00 43.42 42.06 3kct n LEU 61 CO 0.21 0.55 1.18 0.77 -1.33 0.00 0.00 177.39 178.76 3kct h SER 62 N 0.00 0.34 0.29 -1.43 4.64 -1.38 -0.24 113.55 115.77 3kct h SER 62 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kct h SER 62 Cb 2.15 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 64.17 3kct h SER 62 CO 0.03 0.21 0.00 -2.65 -0.87 0.00 0.00 176.83 173.55 3kct n PRO 63 N -4.47 0.43 0.00 4.77 -0.02 -1.26 -2.74 135.00 131.70 3kct n PRO 63 Ca 0.08 0.06 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 3kct n PRO 63 Cb 0.32 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.43 3kct n PRO 63 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kct n GLN 64 N -1.20 0.69 -1.31 -0.52 1.13 -0.10 -4.83 117.38 111.23 3kct n GLN 64 Ca 0.12 -0.51 -0.33 0.00 -1.94 0.00 0.00 57.00 54.34 3kct n GLN 64 Cb 0.15 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.08 3kct n GLN 64 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3kct n PHE 65 N -0.71 2.98 0.00 1.08 3.01 -1.11 -5.03 117.46 117.68 3kct n PHE 65 Ca 0.09 -2.84 0.00 0.00 1.01 0.00 0.00 57.45 55.71 3kct n PHE 65 Cb 0.39 -1.38 0.00 0.00 -0.01 0.00 0.00 39.48 38.48 3kct n PHE 65 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3kct n SER 69 N -0.71 0.00 0.00 4.37 2.88 -1.26 -5.07 113.62 113.84 3kct n SER 69 Ca 0.58 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.22 3kct n SER 69 Cb 0.62 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.60 3kct n SER 69 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3kct n ASN 70 N 0.00 0.00 0.21 -3.46 3.02 -1.26 -2.18 115.26 111.58 3kct n ASN 70 Ca 0.00 0.08 0.15 0.00 -0.03 0.00 0.00 54.58 54.78 3kct n ASN 70 Cb 0.00 -0.33 0.61 0.00 -0.61 0.00 0.00 39.78 39.45 3kct n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kct h ALA 71 N 2.96 1.00 -0.97 5.41 0.00 -1.96 -3.19 119.26 122.51 3kct h ALA 71 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 3kct h ALA 71 Cb 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.75 3kct h ALA 71 CO 0.00 0.00 0.93 0.66 0.00 0.00 0.00 179.25 180.84 3kct n TYR 72 N -2.66 3.05 -4.28 0.00 4.02 -0.93 -4.76 117.16 111.61 3kct n TYR 72 Ca 0.01 -2.71 -0.34 0.00 -0.01 0.00 0.00 57.90 54.85 3kct n TYR 72 Cb 0.25 -1.34 -0.12 0.00 -0.02 0.00 0.00 39.34 38.12 3kct n TYR 72 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kct s VAL 73 N -4.79 4.05 -0.30 -0.72 1.01 -1.21 -3.98 120.40 114.47 3kct s VAL 73 Ca 0.59 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 3kct s VAL 73 Cb 0.47 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3kct s VAL 73 CO -0.17 0.48 1.63 -0.75 0.00 0.00 0.00 175.10 176.29 3kct s LYS 74 N 0.47 3.59 -0.03 2.72 2.20 -0.78 -4.73 119.74 123.18 3kct s LYS 74 Ca -0.02 1.42 -0.02 0.00 -0.36 0.00 0.00 55.97 56.99 3kct s LYS 74 Cb -0.14 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.06 3kct s LYS 74 CO 0.02 -1.55 0.09 -1.01 -0.36 0.00 0.00 175.35 172.55 3kct s HIS 75 N 5.83 3.35 0.62 4.03 3.76 -1.26 0.11 115.29 131.74 3kct s HIS 75 Ca 0.72 0.27 -0.18 0.00 -0.15 0.00 0.00 55.06 55.71 3kct s HIS 75 Cb -0.21 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 3kct s HIS 75 CO 0.31 0.58 1.14 -2.30 -0.85 0.00 0.00 174.74 173.62 3kct n PRO 76 N 1.35 1.03 -0.07 8.40 -0.02 -1.26 -4.87 135.00 139.57 3kct n PRO 76 Ca -0.14 0.40 0.14 0.00 -2.02 0.00 0.00 63.50 61.88 3kct n PRO 76 Cb 0.53 -2.36 0.54 0.00 -0.02 0.00 0.00 33.50 32.19 3kct n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kct h ALA 77 N 0.54 2.13 -0.43 3.55 0.00 -1.98 -2.09 119.26 120.98 3kct h ALA 77 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kct h ALA 77 Cb 1.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3kct h ALA 77 CO 0.52 -0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 3kct n ASP 78 N -4.46 2.66 -4.47 0.00 3.85 -1.26 -4.83 116.55 108.05 3kct n ASP 78 Ca 0.10 -1.94 -0.35 0.00 -0.71 0.00 0.00 54.79 51.88 3kct n ASP 78 Cb 0.44 -0.28 -0.12 0.00 -1.35 0.00 0.00 41.12 39.80 3kct n ASP 78 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3kct s ILE 79 N -1.43 4.20 0.23 2.12 1.01 -0.79 -5.07 121.20 121.48 3kct s ILE 79 Ca 0.35 -0.22 -0.31 0.00 0.00 0.00 0.00 60.65 60.46 3kct s ILE 79 Cb 0.19 -2.93 -0.13 0.00 0.01 0.00 0.00 42.46 39.59 3kct s ILE 79 CO 0.25 0.40 1.41 -2.65 0.00 0.00 0.00 174.94 174.35 3kct n PRO 80 N 4.43 2.02 -3.36 2.79 -0.02 -1.26 -4.78 135.00 134.82 3kct n PRO 80 Ca -0.17 0.72 -0.46 0.00 -2.02 0.00 0.00 63.50 61.57 3kct n PRO 80 Cb 0.52 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3kct n PRO 80 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kct s ASP 81 N 0.32 6.58 0.24 2.55 -1.08 -1.26 -4.59 116.67 119.44 3kct s ASP 81 Ca 0.69 -2.60 -0.05 0.00 -0.52 0.00 0.00 52.55 50.07 3kct s ASP 81 Cb -0.66 -2.18 0.46 0.00 -1.46 0.00 0.00 42.92 39.09 3kct s ASP 81 CO 0.49 -0.59 1.69 0.22 0.52 0.00 0.00 175.17 177.50 3kct h TYR 82 N 7.85 0.31 0.49 -5.34 3.20 -1.90 -0.45 116.97 121.12 3kct h TYR 82 Ca 0.05 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3kct h TYR 82 Cb 1.04 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.29 3kct h TYR 82 CO 0.98 -0.07 -0.26 0.74 -1.64 0.00 0.00 178.16 177.91 3kct h PHE 83 N 0.29 -0.68 -0.54 -3.82 0.04 -1.91 -2.04 116.94 108.28 3kct h PHE 83 Ca 0.42 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 61.11 3kct h PHE 83 Cb 0.70 0.23 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 3kct h PHE 83 CO -0.25 -0.41 0.10 0.87 -0.60 0.00 0.00 178.31 178.01 3kct h LYS 84 N -0.70 0.89 -0.21 1.51 1.57 -1.74 -2.82 116.57 115.07 3kct h LYS 84 Ca -0.06 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3kct h LYS 84 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3kct h LYS 84 CO 0.09 0.86 0.25 -0.07 -0.57 0.00 0.00 179.45 180.01 3kct h LEU 85 N 0.78 0.00 -0.83 2.94 3.38 -1.07 -2.73 115.31 117.77 3kct h LEU 85 Ca 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3kct h LEU 85 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kct h LEU 85 CO 0.01 0.00 -0.17 0.77 0.09 0.00 0.00 178.44 179.14 3kct h SER 86 N 0.00 0.00 -4.27 -0.43 4.64 -1.09 -3.46 113.55 108.94 3kct h SER 86 Ca 0.10 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.93 3kct h SER 86 Cb 0.59 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.74 3kct h SER 86 CO -0.00 0.17 0.39 -0.36 -0.87 0.00 0.00 176.83 176.16 3kct s PHE 87 N -3.48 3.33 -0.15 4.77 0.40 -1.03 -0.62 117.98 121.20 3kct s PHE 87 Ca 0.02 1.42 0.25 0.00 -0.60 0.00 0.00 56.93 58.02 3kct s PHE 87 Cb 0.09 -2.84 0.66 0.00 0.51 0.00 0.00 43.02 41.44 3kct s PHE 87 CO 0.64 -0.80 1.72 -1.00 0.70 0.00 0.00 175.22 176.48 3kct h PRO 88 N 0.12 0.00 -0.34 0.24 0.13 -1.88 -3.45 132.00 126.82 3kct h PRO 88 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3kct h PRO 88 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3kct h PRO 88 CO 0.60 0.12 0.19 0.93 -0.23 0.00 0.00 178.00 179.61 3kct h GLU 89 N 0.00 0.46 0.00 0.86 3.07 -1.88 -2.88 114.58 114.21 3kct h GLU 89 Ca -0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3kct h GLU 89 Cb 0.89 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3kct h GLU 89 CO 0.02 0.38 0.00 0.41 -1.40 0.00 0.00 179.01 178.41 3kct n GLY 90 N -1.01 -1.47 3.39 -3.84 0.00 0.20 -4.47 105.19 98.00 3kct n GLY 90 Ca -0.01 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 3kct n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kct s PHE 91 N 0.00 0.18 0.14 1.61 -0.12 -0.67 -1.35 117.98 117.77 3kct s PHE 91 Ca 0.00 -0.54 0.09 0.00 -0.05 0.00 0.00 56.93 56.43 3kct s PHE 91 Cb 0.00 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 3kct s PHE 91 CO 0.00 -0.78 -0.20 0.15 -0.05 0.00 0.00 175.22 174.34 3kct s LYS 92 N -3.92 1.26 0.06 1.99 1.02 -0.58 -0.24 119.74 119.33 3kct s LYS 92 Ca 0.13 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.79 3kct s LYS 92 Cb 0.02 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.84 3kct s LYS 92 CO -0.02 0.32 -0.04 1.67 -0.92 0.00 0.00 175.35 176.35 3kct s TRP 93 N -1.62 0.63 -0.04 3.18 1.48 -0.38 -0.51 118.94 121.68 3kct s TRP 93 Ca 0.13 -0.98 0.01 0.00 -1.06 0.00 0.00 56.10 54.20 3kct s TRP 93 Cb -0.08 -0.42 0.02 0.00 -1.16 0.00 0.00 33.47 31.83 3kct s TRP 93 CO 0.06 -0.29 -0.03 -1.21 -4.06 0.00 0.00 176.95 171.42 3kct s GLU 94 N -3.70 0.69 -0.02 3.25 2.02 -0.59 -0.67 118.70 119.69 3kct s GLU 94 Ca 0.07 -0.05 0.03 0.00 0.02 0.00 0.00 54.97 55.04 3kct s GLU 94 Cb 0.06 -0.76 -0.00 0.00 0.10 0.00 0.00 34.13 33.52 3kct s GLU 94 CO -0.08 -0.11 -0.11 0.50 0.02 0.00 0.00 175.26 175.49 3kct s ARG 95 N 1.00 0.97 -0.10 1.61 3.52 -0.07 -0.62 118.95 125.26 3kct s ARG 95 Ca -0.10 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.16 3kct s ARG 95 Cb -0.14 -0.91 0.01 0.00 -1.56 0.00 0.00 34.95 32.34 3kct s ARG 95 CO -0.01 0.19 -0.20 0.08 -0.81 0.00 0.00 175.30 174.55 3kct s VAL 96 N -0.06 1.80 -0.23 7.11 1.01 -0.22 -0.68 120.40 129.13 3kct s VAL 96 Ca 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 3kct s VAL 96 Cb -0.06 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 3kct s VAL 96 CO 0.00 0.50 -0.03 -0.04 0.00 0.00 0.00 175.10 175.53 3kct s MET 97 N 0.61 3.29 -0.26 2.72 -1.94 0.15 -1.67 119.30 122.21 3kct s MET 97 Ca -0.13 -0.68 -0.08 0.00 -1.71 0.00 0.00 55.69 53.08 3kct s MET 97 Cb -0.17 -3.04 -0.03 0.00 2.01 0.00 0.00 34.83 33.60 3kct s MET 97 CO 0.04 -0.24 0.09 0.15 -0.01 0.00 0.00 175.02 175.05 3kct s LYS 98 N 1.47 3.67 0.37 2.03 1.02 -0.27 -0.37 119.74 127.65 3kct s LYS 98 Ca 0.05 -0.47 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 3kct s LYS 98 Cb -0.15 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 3kct s LYS 98 CO -0.03 -0.20 0.59 -0.06 -0.92 0.00 0.00 175.35 174.73 3kct s PHE 99 N 1.63 3.51 0.41 3.18 0.40 -0.22 -0.45 117.98 126.45 3kct s PHE 99 Ca 0.06 0.46 0.23 0.00 -0.60 0.00 0.00 56.93 57.08 3kct s PHE 99 Cb -0.15 -1.98 1.26 0.00 0.51 0.00 0.00 43.02 42.65 3kct s PHE 99 CO 0.05 0.05 2.02 1.05 0.70 0.00 0.00 175.22 179.09 3kct h GLU 100 N 0.73 0.00 -0.68 0.44 4.11 -1.34 -2.48 114.58 115.36 3kct h GLU 100 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3kct h GLU 100 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3kct h GLU 100 CO 0.62 0.16 0.00 -0.40 0.07 0.00 0.00 179.01 179.46 3kct n ASP 101 N -3.84 4.36 0.00 3.06 3.85 -1.26 -4.90 116.55 117.83 3kct n ASP 101 Ca -0.02 -2.62 0.00 0.00 -0.71 0.00 0.00 54.79 51.44 3kct n ASP 101 Cb 0.26 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.42 3kct n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kct n GLY 102 N 0.55 0.70 3.77 6.12 0.00 -0.93 -4.54 105.19 110.85 3kct n GLY 102 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3kct n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kct s GLY 103 N -1.64 2.85 -0.02 -0.02 0.00 -1.19 -4.67 107.32 102.62 3kct s GLY 103 Ca 0.00 0.99 0.03 0.00 0.00 0.00 0.00 44.72 45.74 3kct s GLY 103 CO 0.00 1.50 -0.10 0.14 0.00 0.00 0.00 173.10 174.64 3kct s VAL 104 N -1.43 0.84 -0.07 1.40 1.01 -0.20 -1.06 120.40 120.89 3kct s VAL 104 Ca 0.59 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3kct s VAL 104 Cb -0.31 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.34 3kct s VAL 104 CO 0.39 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.89 3kct s VAL 105 N 0.13 1.48 -0.08 2.92 1.01 0.50 -0.91 120.40 125.45 3kct s VAL 105 Ca -0.02 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3kct s VAL 105 Cb -0.08 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 3kct s VAL 105 CO 0.00 0.43 -0.20 0.42 0.00 0.00 0.00 175.10 175.75 3kct s THR 106 N 0.48 2.44 -0.01 3.92 -4.23 -0.08 0.32 115.64 118.48 3kct s THR 106 Ca -0.15 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 3kct s THR 106 Cb -0.16 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.74 3kct s THR 106 CO 0.05 0.56 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.96 3kct s VAL 107 N -0.02 0.35 0.03 2.29 1.01 0.14 -0.76 120.40 123.44 3kct s VAL 107 Ca -0.06 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.80 3kct s VAL 107 Cb -0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 3kct s VAL 107 CO 0.05 0.12 -0.12 0.42 0.00 0.00 0.00 175.10 175.56 3kct s THR 108 N 0.11 0.97 0.00 3.92 -4.23 -0.33 -0.89 115.64 115.20 3kct s THR 108 Ca -0.01 -0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3kct s THR 108 Cb -0.04 -0.89 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 3kct s THR 108 CO -0.00 -0.01 0.02 -1.58 -0.54 0.00 0.00 174.62 172.50 3kct s GLN 109 N -1.03 0.17 -0.12 3.99 -0.44 0.16 -1.05 119.66 121.33 3kct s GLN 109 Ca 0.01 -0.23 0.03 0.00 -2.50 0.00 0.00 55.36 52.66 3kct s GLN 109 Cb -0.07 0.06 -0.00 0.00 -1.64 0.00 0.00 33.01 31.36 3kct s GLN 109 CO 0.01 -0.03 -0.21 0.34 0.50 0.00 0.00 175.29 175.90 3kct s ASP 110 N -0.62 3.33 -0.06 6.67 2.15 -0.37 -1.25 116.67 126.52 3kct s ASP 110 Ca -0.07 -0.51 0.05 0.00 0.43 0.00 0.00 52.55 52.45 3kct s ASP 110 Cb -0.04 -1.47 -0.02 0.00 -0.30 0.00 0.00 42.92 41.09 3kct s ASP 110 CO -0.00 0.14 -0.21 -0.44 -0.17 0.00 0.00 175.17 174.48 3kct s SER 111 N 0.48 3.39 0.21 -0.34 0.01 0.67 -1.61 113.70 116.51 3kct s SER 111 Ca -0.14 -0.42 -0.07 0.00 1.31 0.00 0.00 55.95 56.64 3kct s SER 111 Cb -0.17 -0.90 -0.02 0.00 0.21 0.00 0.00 66.02 65.14 3kct s SER 111 CO 0.05 0.26 0.28 -0.94 0.41 0.00 0.00 173.24 173.30 3kct s SER 112 N -0.26 0.05 -0.27 2.44 1.04 -0.48 -1.67 113.70 114.56 3kct s SER 112 Ca -0.00 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.32 3kct s SER 112 Cb -0.13 0.46 0.08 0.00 0.10 0.00 0.00 66.02 66.52 3kct s SER 112 CO 0.03 -0.95 -0.00 -0.22 0.98 0.00 0.00 173.24 173.08 3kct s LEU 113 N -3.07 2.91 -0.13 2.42 2.96 -1.09 -0.88 118.68 121.80 3kct s LEU 113 Ca 0.28 -1.45 0.02 0.00 -0.22 0.00 0.00 54.13 52.76 3kct s LEU 113 Cb 0.04 -1.20 0.01 0.00 0.50 0.00 0.00 46.19 45.54 3kct s LEU 113 CO 0.08 -0.30 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.53 3kct s GLN 114 N 1.35 2.62 -1.43 1.98 -0.21 -0.20 -4.84 119.66 118.93 3kct s GLN 114 Ca 0.01 -0.71 -0.10 0.00 0.02 0.00 0.00 55.36 54.58 3kct s GLN 114 Cb -0.19 -2.17 0.04 0.00 1.00 0.00 0.00 33.01 31.69 3kct s GLN 114 CO -0.10 -0.05 1.07 -0.25 -2.12 0.00 0.00 175.29 173.84 3kct n ASP 115 N 4.18 -5.83 0.00 5.90 9.92 -1.26 -2.26 116.55 127.20 3kct n ASP 115 Ca -0.19 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 53.47 3kct n ASP 115 Cb 0.51 -4.62 0.00 0.00 -0.64 0.00 0.00 41.12 36.38 3kct n ASP 115 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kct n GLY 116 N -1.86 0.75 3.03 0.44 0.00 -1.26 -5.02 105.19 101.27 3kct n GLY 116 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3kct n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kct s GLU 117 N -0.36 0.49 0.32 1.61 2.02 -0.96 -4.60 118.70 117.22 3kct s GLU 117 Ca 0.00 -0.63 -0.27 0.00 0.02 0.00 0.00 54.97 54.09 3kct s GLU 117 Cb 0.00 -0.28 -0.09 0.00 0.10 0.00 0.00 34.13 33.85 3kct s GLU 117 CO 0.00 0.05 0.99 -0.06 0.02 0.00 0.00 175.26 176.26 3kct s PHE 118 N -1.13 3.63 -0.13 1.61 0.40 -0.30 -1.03 117.98 121.02 3kct s PHE 118 Ca -0.08 1.76 0.00 0.00 -0.60 0.00 0.00 56.93 58.02 3kct s PHE 118 Cb -0.08 -3.03 0.02 0.00 0.51 0.00 0.00 43.02 40.43 3kct s PHE 118 CO 0.00 -0.05 -0.13 0.42 0.70 0.00 0.00 175.22 176.16 3kct s ILE 119 N -1.49 1.44 -0.12 0.64 -1.09 -0.06 -1.25 121.20 119.26 3kct s ILE 119 Ca 0.50 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 58.35 3kct s ILE 119 Cb -0.23 -1.36 -0.02 0.00 -1.58 0.00 0.00 42.46 39.27 3kct s ILE 119 CO 0.29 0.44 -0.09 -0.31 -1.23 0.00 0.00 174.94 174.03 3kct s TYR 120 N 1.44 2.90 -0.13 3.97 2.02 -0.14 -1.39 117.35 126.03 3kct s TYR 120 Ca 0.03 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 3kct s TYR 120 Cb -0.13 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 3kct s TYR 120 CO -0.09 -0.04 -0.21 0.15 -1.57 0.00 0.00 175.55 173.79 3kct s LYS 121 N 0.11 2.83 -0.05 -0.62 1.02 -0.63 -1.76 119.74 120.65 3kct s LYS 121 Ca -0.04 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.20 3kct s LYS 121 Cb -0.14 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 3kct s LYS 121 CO 0.04 -0.00 -0.15 0.08 -0.92 0.00 0.00 175.35 174.39 3kct s VAL 122 N 0.79 1.32 -0.11 3.17 1.01 0.32 -1.23 120.40 125.67 3kct s VAL 122 Ca -0.08 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3kct s VAL 122 Cb -0.16 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3kct s VAL 122 CO -0.01 0.39 -0.22 -0.54 0.00 0.00 0.00 175.10 174.72 3kct s LYS 123 N 0.17 3.12 -0.01 2.72 1.02 -0.22 -1.39 119.74 125.15 3kct s LYS 123 Ca -0.06 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.13 3kct s LYS 123 Cb -0.12 -2.37 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 3kct s LYS 123 CO 0.02 0.19 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.38 3kct s LEU 124 N 0.33 1.99 -0.05 3.17 0.20 0.24 -1.18 118.68 123.37 3kct s LEU 124 Ca -0.17 -0.18 -0.01 0.00 0.69 0.00 0.00 54.13 54.46 3kct s LEU 124 Cb -0.17 -0.53 0.03 0.00 -0.43 0.00 0.00 46.19 45.09 3kct s LEU 124 CO 0.08 0.12 0.01 -0.60 -0.29 0.00 0.00 176.35 175.67 3kct s ARG 125 N -0.18 0.38 -0.07 1.98 3.52 0.06 -1.83 118.95 122.82 3kct s ARG 125 Ca 0.03 0.16 0.04 0.00 -0.13 0.00 0.00 55.73 55.82 3kct s ARG 125 Cb -0.05 -0.73 -0.02 0.00 -1.56 0.00 0.00 34.95 32.59 3kct s ARG 125 CO -0.00 -0.26 -0.18 0.20 -0.81 0.00 0.00 175.30 174.25 3kct s GLY 126 N 1.73 1.45 0.16 8.12 0.00 0.98 -0.91 107.32 118.85 3kct s GLY 126 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 43.71 3kct s GLY 126 CO -0.04 -0.63 0.14 -0.51 0.00 0.00 0.00 173.10 172.06 3kct s THR 127 N -0.34 0.06 -1.86 0.90 -4.23 -0.09 -0.39 115.64 109.70 3kct s THR 127 Ca 0.03 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3kct s THR 127 Cb -0.13 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.54 3kct s THR 127 CO 0.02 -0.26 0.00 0.59 -0.54 0.00 0.00 174.62 174.43 3kct n ASN 128 N -0.18 -5.26 -4.70 3.99 4.13 -1.26 -1.03 115.26 110.94 3kct n ASN 128 Ca -0.03 0.33 -0.42 0.00 1.68 0.00 0.00 54.58 56.14 3kct n ASN 128 Cb 0.64 -4.37 -0.03 0.00 -1.54 0.00 0.00 39.78 34.49 3kct n ASN 128 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3kct s PHE 129 N -2.75 3.22 0.35 3.10 0.40 -1.26 -3.20 117.98 117.84 3kct s PHE 129 Ca 0.00 1.13 -0.28 0.00 -0.60 0.00 0.00 56.93 57.17 3kct s PHE 129 Cb 0.00 -3.51 -0.12 0.00 0.51 0.00 0.00 43.02 39.91 3kct s PHE 129 CO 0.00 -1.68 1.46 -2.30 0.70 0.00 0.00 175.22 173.40 3kct n PRO 130 N 4.58 2.53 0.28 0.24 -0.02 -1.26 -4.83 135.00 136.52 3kct n PRO 130 Ca 0.11 0.89 0.12 0.00 -2.02 0.00 0.00 63.50 62.60 3kct n PRO 130 Cb 0.45 -2.59 0.79 0.00 -0.02 0.00 0.00 33.50 32.13 3kct n PRO 130 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3kct h SER 131 N 3.17 0.00 -0.53 2.55 0.02 -1.99 -0.55 113.55 116.22 3kct h SER 131 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3kct h SER 131 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3kct h SER 131 CO 0.66 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 175.46 3kct n ASP 132 N -4.14 4.44 -4.30 3.07 5.75 -1.26 -4.53 116.55 115.58 3kct n ASP 132 Ca -0.03 -2.53 -0.30 0.00 -0.01 0.00 0.00 54.79 51.92 3kct n ASP 132 Cb 0.09 -0.53 0.17 0.00 -1.03 0.00 0.00 41.12 39.82 3kct n ASP 132 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3kct s GLY 133 N -1.10 1.73 0.37 6.12 0.00 -0.22 -4.84 107.32 109.38 3kct s GLY 133 Ca 0.46 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 44.18 3kct s GLY 133 CO 0.20 -0.36 1.92 -2.55 0.00 0.00 0.00 173.10 172.31 3kct h PRO 134 N -1.55 0.40 0.14 2.90 0.11 -1.95 -1.02 132.00 131.04 3kct h PRO 134 Ca -0.45 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3kct h PRO 134 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kct h PRO 134 CO 0.44 0.45 -0.07 0.28 -0.21 0.00 0.00 178.00 178.89 3kct h VAL 135 N 0.38 0.95 0.00 3.15 2.07 -1.93 -0.86 116.25 120.01 3kct h VAL 135 Ca 0.08 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 3kct h VAL 135 Cb 0.30 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3kct h VAL 135 CO 0.01 0.24 -0.10 0.24 0.02 0.00 0.00 177.57 177.98 3kct h MET 136 N -0.80 0.00 -0.44 1.57 2.86 -1.77 -0.86 114.93 115.48 3kct h MET 136 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kct h MET 136 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3kct h MET 136 CO 0.03 0.10 0.00 1.04 1.06 0.00 0.00 176.91 179.14 3kct n GLN 137 N -3.26 2.40 -3.87 1.72 1.13 -0.39 -4.48 117.38 110.62 3kct n GLN 137 Ca 0.00 -2.13 -0.24 0.00 -1.94 0.00 0.00 57.00 52.69 3kct n GLN 137 Cb 0.34 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.20 3kct n GLN 137 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3kct n LYS 138 N 1.30 -3.75 0.00 -1.09 5.02 -0.99 -4.89 118.16 113.76 3kct n LYS 138 Ca 0.20 0.47 0.11 0.00 -2.02 0.00 0.00 58.31 57.07 3kct n LYS 138 Cb 0.55 -4.72 0.09 0.00 -0.02 0.00 0.00 35.03 30.93 3kct n LYS 138 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kct n LYS 139 N -4.36 0.58 -3.50 1.97 4.81 -0.36 -4.93 118.16 112.37 3kct n LYS 139 Ca -0.31 -0.44 -0.31 0.00 -0.87 0.00 0.00 58.31 56.38 3kct n LYS 139 Cb 0.68 -1.49 -0.05 0.00 0.02 0.00 0.00 35.03 34.19 3kct n LYS 139 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3kct s THR 140 N -2.72 5.02 -0.43 3.15 -4.23 -1.25 -0.37 115.64 114.81 3kct s THR 140 Ca 0.16 0.27 0.10 0.00 -1.18 0.00 0.00 61.69 61.04 3kct s THR 140 Cb 0.18 -3.63 0.36 0.00 1.34 0.00 0.00 72.50 70.74 3kct s THR 140 CO 0.67 -0.06 0.83 1.15 -0.54 0.00 0.00 174.62 176.67 3kct n MET 141 N -0.14 1.78 0.00 3.99 0.00 0.14 -4.80 117.12 118.09 3kct n MET 141 Ca -0.01 -3.87 0.00 0.00 0.00 0.00 0.00 57.70 53.82 3kct n MET 141 Cb 0.52 -1.86 0.00 0.00 0.00 0.00 0.00 33.22 31.88 3kct n MET 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kct n GLY 142 N 0.06 0.21 3.80 3.17 0.00 -1.26 -4.61 105.19 106.55 3kct n GLY 142 Ca 0.26 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 3kct n GLY 142 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kct s TRP 143 N -2.84 3.83 0.76 1.61 0.52 -1.26 -1.67 118.94 119.88 3kct s TRP 143 Ca 0.00 1.37 -0.13 0.00 0.02 0.00 0.00 56.10 57.36 3kct s TRP 143 Cb 0.00 -2.58 0.06 0.00 -1.15 0.00 0.00 33.47 29.79 3kct s TRP 143 CO 0.00 0.55 1.13 -1.21 0.02 0.00 0.00 176.95 177.44 3kct s GLU 144 N -1.04 2.11 0.22 4.98 0.41 -0.56 -4.76 118.70 120.06 3kct s GLU 144 Ca 0.31 1.44 -0.30 0.00 -0.41 0.00 0.00 54.97 56.01 3kct s GLU 144 Cb -0.20 -1.86 -0.15 0.00 -1.78 0.00 0.00 34.13 30.13 3kct s GLU 144 CO 0.21 -1.79 0.96 0.00 -0.49 0.00 0.00 175.26 174.15 3kct n ALA 145 N -3.20 -1.07 -2.28 5.21 0.00 -1.26 -4.79 120.51 113.12 3kct n ALA 145 Ca 0.11 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.83 3kct n ALA 145 Cb 0.52 -1.93 -0.10 0.00 0.00 0.00 0.00 19.45 17.94 3kct n ALA 145 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3kct s LEU 146 N 1.02 2.45 -0.21 0.00 0.05 -0.67 -4.94 118.68 116.38 3kct s LEU 146 Ca 0.66 -1.06 0.00 0.00 0.05 0.00 0.00 54.13 53.78 3kct s LEU 146 Cb -0.82 -0.36 0.05 0.00 -2.05 0.00 0.00 46.19 43.02 3kct s LEU 146 CO 0.56 -0.36 -0.05 -0.55 -0.55 0.00 0.00 176.35 175.40 3kct s SER 147 N -3.22 3.47 -0.28 1.48 0.15 -1.26 -1.15 113.70 112.90 3kct s SER 147 Ca 0.20 -0.99 -0.19 0.00 0.70 0.00 0.00 55.95 55.68 3kct s SER 147 Cb 0.03 -1.08 -0.02 0.00 -1.71 0.00 0.00 66.02 63.24 3kct s SER 147 CO 0.03 -0.22 0.57 -0.70 1.20 0.00 0.00 173.24 174.12 3kct s GLU 148 N 1.49 4.01 -0.13 5.44 2.12 0.50 -4.72 118.70 127.41 3kct s GLU 148 Ca -0.03 0.33 -0.29 0.00 0.36 0.00 0.00 54.97 55.34 3kct s GLU 148 Cb -0.17 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.53 3kct s GLU 148 CO -0.07 -0.43 1.04 0.50 -0.54 0.00 0.00 175.26 175.75 3kct s ARG 149 N 2.43 4.38 -0.17 4.30 3.52 -0.39 -0.24 118.95 132.77 3kct s ARG 149 Ca 0.23 1.42 -0.06 0.00 -0.13 0.00 0.00 55.73 57.18 3kct s ARG 149 Cb -0.15 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 3kct s ARG 149 CO 0.10 -0.41 0.05 -1.64 -0.81 0.00 0.00 175.30 172.59 3kct s MET 150 N 2.33 3.83 -0.04 5.12 -1.94 0.94 -0.94 119.30 128.60 3kct s MET 150 Ca 0.48 -0.36 -0.08 0.00 -1.71 0.00 0.00 55.69 54.03 3kct s MET 150 Cb -0.18 -3.14 0.01 0.00 2.01 0.00 0.00 34.83 33.53 3kct s MET 150 CO 0.15 0.33 0.18 1.52 -0.01 0.00 0.00 175.02 177.20 3kct s TYR 151 N 0.18 -0.12 0.28 -0.03 1.13 0.98 -1.16 117.35 118.61 3kct s TYR 151 Ca 0.04 0.27 -0.29 0.00 -1.41 0.00 0.00 57.07 55.68 3kct s TYR 151 Cb -0.12 0.03 -0.09 0.00 -1.10 0.00 0.00 41.96 40.67 3kct s TYR 151 CO 0.01 -0.19 1.04 -1.25 -2.51 0.00 0.00 175.55 172.65 3kct s PRO 152 N -0.53 4.67 -0.27 -3.49 0.04 -1.26 -0.47 135.00 133.69 3kct s PRO 152 Ca -0.06 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.48 3kct s PRO 152 Cb -0.04 -3.15 0.08 0.00 0.04 0.00 0.00 34.50 31.43 3kct s PRO 152 CO 0.01 0.29 0.66 -2.00 0.04 0.00 0.00 177.00 176.00 3kct s GLU 153 N -1.47 0.68 -1.55 4.56 2.12 0.15 -4.90 118.70 118.29 3kct s GLU 153 Ca 0.45 1.17 -0.10 0.00 0.36 0.00 0.00 54.97 56.85 3kct s GLU 153 Cb -0.29 0.13 0.08 0.00 0.26 0.00 0.00 34.13 34.32 3kct s GLU 153 CO 0.36 -0.15 0.68 -0.25 -0.54 0.00 0.00 175.26 175.36 3kct n ASP 154 N 4.25 -2.36 -0.06 -1.70 8.00 -1.26 -0.97 116.55 122.45 3kct n ASP 154 Ca -0.20 -0.96 -0.01 0.00 0.71 0.00 0.00 54.79 54.33 3kct n ASP 154 Cb 0.58 -3.10 -0.00 0.00 -0.02 0.00 0.00 41.12 38.58 3kct n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kct n GLY 155 N -1.68 0.36 3.36 0.44 0.00 -1.26 -5.00 105.19 101.41 3kct n GLY 155 Ca -0.09 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 3kct n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kct s ALA 156 N -1.64 1.94 -0.20 4.61 0.00 -0.14 -4.90 121.76 121.42 3kct s ALA 156 Ca 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 51.96 50.05 3kct s ALA 156 Cb 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 3kct s ALA 156 CO 0.00 -0.26 0.06 -1.17 0.00 0.00 0.00 175.76 174.39 3kct s LEU 157 N -3.35 3.69 -0.01 0.00 2.96 -0.33 -0.68 118.68 120.96 3kct s LEU 157 Ca 0.31 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 3kct s LEU 157 Cb 0.06 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3kct s LEU 157 CO 0.10 0.11 0.03 -0.54 -1.32 0.00 0.00 176.35 174.74 3kct s LYS 158 N 0.74 2.92 0.05 1.98 1.02 0.38 -0.27 119.74 126.55 3kct s LYS 158 Ca 0.03 -0.54 0.07 0.00 0.02 0.00 0.00 55.97 55.56 3kct s LYS 158 Cb -0.13 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 3kct s LYS 158 CO 0.02 0.64 -0.21 0.20 -0.92 0.00 0.00 175.35 175.08 3kct s GLY 159 N -1.54 1.14 -0.09 -3.33 0.00 -0.01 -0.01 107.32 103.47 3kct s GLY 159 Ca 0.20 -1.08 -0.11 0.00 0.00 0.00 0.00 44.72 43.73 3kct s GLY 159 CO 0.11 -1.01 0.30 -1.83 0.00 0.00 0.00 173.10 170.67 3kct s GLU 160 N -1.23 0.42 0.03 2.90 -1.05 -0.12 -1.19 118.70 118.46 3kct s GLU 160 Ca 0.08 0.28 -0.25 0.00 -0.15 0.00 0.00 54.97 54.92 3kct s GLU 160 Cb -0.09 0.20 0.06 0.00 -0.44 0.00 0.00 34.13 33.86 3kct s GLU 160 CO 0.02 -0.07 0.59 0.54 0.95 0.00 0.00 175.26 177.29 3kct s VAL 161 N -0.16 0.01 -0.66 1.83 0.11 -0.67 -1.26 120.40 119.60 3kct s VAL 161 Ca -0.03 -0.11 0.05 0.00 -2.93 0.00 0.00 61.98 58.96 3kct s VAL 161 Cb -0.03 -0.98 0.17 0.00 -1.53 0.00 0.00 36.38 34.01 3kct s VAL 161 CO 0.01 -0.06 0.47 -0.54 -3.33 0.00 0.00 175.10 171.65 3kct s LYS 162 N -2.19 2.23 0.58 1.54 1.02 -1.26 -0.45 119.74 121.20 3kct s LYS 162 Ca -0.06 -3.15 -0.09 0.00 0.02 0.00 0.00 55.97 52.69 3kct s LYS 162 Cb -0.01 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 3kct s LYS 162 CO 0.01 -1.30 0.94 -1.25 -0.92 0.00 0.00 175.35 172.83 3kct s PRO 163 N -1.21 3.46 -0.05 -1.68 0.04 -1.21 -4.80 135.00 129.55 3kct s PRO 163 Ca 0.26 0.48 0.03 0.00 0.04 0.00 0.00 61.00 61.81 3kct s PRO 163 Cb -0.04 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3kct s PRO 163 CO -0.17 -0.50 -0.14 1.03 0.04 0.00 0.00 177.00 177.26 3kct s ARG 164 N -5.03 1.60 -0.14 4.56 0.52 -1.26 -1.89 118.95 117.30 3kct s ARG 164 Ca 0.53 -0.49 -0.07 0.00 -0.52 0.00 0.00 55.73 55.17 3kct s ARG 164 Cb -0.11 -1.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.94 3kct s ARG 164 CO 0.50 0.16 0.13 0.08 0.02 0.00 0.00 175.30 176.19 3kct s VAL 165 N 0.24 5.40 0.35 3.52 1.01 0.38 -1.50 120.40 129.81 3kct s VAL 165 Ca -0.07 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.82 3kct s VAL 165 Cb -0.12 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 3kct s VAL 165 CO 0.02 0.58 1.08 -0.54 0.00 0.00 0.00 175.10 176.24 3kct s LYS 166 N -0.70 4.35 0.09 2.72 1.02 -0.67 -0.89 119.74 125.66 3kct s LYS 166 Ca 0.13 1.67 0.02 0.00 0.02 0.00 0.00 55.97 57.80 3kct s LYS 166 Cb -0.12 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 3kct s LYS 166 CO 0.03 -0.01 0.19 -0.51 -0.92 0.00 0.00 175.35 174.12 3kct s LEU 167 N -2.12 4.19 0.55 3.17 1.43 -0.92 0.27 118.68 125.26 3kct s LEU 167 Ca 0.52 0.16 0.32 0.00 -1.03 0.00 0.00 54.13 54.10 3kct s LEU 167 Cb -0.27 -2.80 1.60 0.00 0.03 0.00 0.00 46.19 44.75 3kct s LEU 167 CO 0.34 0.14 2.11 0.11 0.23 0.00 0.00 176.35 179.28 3kct h LYS 168 N 2.89 0.00 -0.72 1.70 1.57 -1.02 -2.50 116.57 118.50 3kct h LYS 168 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3kct h LYS 168 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3kct h LYS 168 CO 0.71 0.08 0.00 -0.40 -0.57 0.00 0.00 179.45 179.27 3kct n ASP 169 N -3.43 4.14 0.00 0.86 5.68 -1.26 -4.97 116.55 117.57 3kct n ASP 169 Ca -0.02 -2.12 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 3kct n ASP 169 Cb 0.22 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 3kct n ASP 169 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kct n GLY 170 N 1.53 2.07 0.00 6.12 0.00 -0.94 -5.10 105.19 108.88 3kct n GLY 170 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3kct n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kct n GLY 171 N -0.05 -2.91 3.11 -0.02 0.00 -1.26 -4.72 105.19 99.34 3kct n GLY 171 Ca 0.00 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 3kct n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kct s HIS 172 N -0.55 0.71 -0.08 1.61 3.76 -1.26 -2.16 115.29 117.32 3kct s HIS 172 Ca 0.00 -0.82 0.02 0.00 -0.15 0.00 0.00 55.06 54.11 3kct s HIS 172 Cb 0.00 -0.43 0.01 0.00 1.11 0.00 0.00 32.58 33.27 3kct s HIS 172 CO 0.00 -0.19 -0.13 -0.47 -0.85 0.00 0.00 174.74 173.10 3kct s TYR 173 N -2.99 1.64 0.04 1.40 5.04 -0.07 -4.89 117.35 117.52 3kct s TYR 173 Ca 0.03 -0.69 -0.01 0.00 -2.44 0.00 0.00 57.07 53.97 3kct s TYR 173 Cb 0.01 -1.21 -0.04 0.00 0.35 0.00 0.00 41.96 41.07 3kct s TYR 173 CO -0.04 -0.37 0.19 -0.51 -1.34 0.00 0.00 175.55 173.48 3kct s ASP 174 N 0.88 6.30 0.08 4.32 1.01 -1.26 -0.47 116.67 127.53 3kct s ASP 174 Ca -0.10 0.27 -0.01 0.00 0.71 0.00 0.00 52.55 53.43 3kct s ASP 174 Cb -0.15 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 3kct s ASP 174 CO 0.01 0.20 -0.01 0.00 0.21 0.00 0.00 175.17 175.58 3kct s ALA 175 N -1.44 0.70 -0.13 5.23 0.00 -0.79 -0.92 121.76 124.41 3kct s ALA 175 Ca 0.32 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 51.00 3kct s ALA 175 Cb -0.13 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.42 3kct s ALA 175 CO 0.25 -0.38 -0.22 -1.21 0.00 0.00 0.00 175.76 174.19 3kct s GLU 176 N -3.94 3.05 -0.12 0.00 2.02 0.41 -3.28 118.70 116.83 3kct s GLU 176 Ca 0.13 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.29 3kct s GLU 176 Cb 0.07 -2.40 0.01 0.00 0.10 0.00 0.00 34.13 31.92 3kct s GLU 176 CO -0.06 0.06 -0.20 0.08 0.02 0.00 0.00 175.26 175.17 3kct s VAL 177 N 0.63 1.85 -0.09 2.63 1.01 0.40 -1.12 120.40 125.71 3kct s VAL 177 Ca -0.11 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3kct s VAL 177 Cb -0.16 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.58 3kct s VAL 177 CO 0.02 0.51 -0.19 -0.54 0.00 0.00 0.00 175.10 174.90 3kct s LYS 178 N 0.81 2.52 -0.00 2.72 1.02 -0.67 -1.67 119.74 124.47 3kct s LYS 178 Ca -0.09 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.24 3kct s LYS 178 Cb -0.16 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 3kct s LYS 178 CO -0.00 0.10 -0.08 0.99 -0.92 0.00 0.00 175.35 175.43 3kct s THR 179 N 0.54 0.66 -0.18 2.17 2.01 -0.33 -1.06 115.64 119.45 3kct s THR 179 Ca -0.16 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 3kct s THR 179 Cb -0.17 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.78 3kct s THR 179 CO 0.06 0.16 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.13 3kct s THR 180 N -0.26 2.76 -0.12 -0.82 2.01 0.20 -0.83 115.64 118.58 3kct s THR 180 Ca 0.03 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 3kct s THR 180 Cb -0.04 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 3kct s THR 180 CO -0.00 0.49 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.09 3kct s TYR 181 N 1.17 3.09 -0.12 4.92 1.51 0.63 -1.53 117.35 127.01 3kct s TYR 181 Ca 0.02 -0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 56.00 3kct s TYR 181 Cb -0.14 -1.88 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 3kct s TYR 181 CO -0.05 0.21 0.04 0.15 -1.11 0.00 0.00 175.55 174.79 3kct s LYS 182 N -0.21 0.38 0.56 -0.62 1.02 0.33 -1.19 119.74 120.01 3kct s LYS 182 Ca 0.05 -0.04 -0.21 0.00 0.02 0.00 0.00 55.97 55.79 3kct s LYS 182 Cb -0.13 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.73 3kct s LYS 182 CO 0.02 -0.49 1.28 0.00 -0.92 0.00 0.00 175.35 175.24 3kct s ALA 183 N 2.01 2.70 -0.06 5.17 0.00 -1.26 -1.52 121.76 128.80 3kct s ALA 183 Ca 0.03 1.17 0.30 0.00 0.00 0.00 0.00 51.96 53.45 3kct s ALA 183 Cb -0.14 -3.51 1.04 0.00 0.00 0.00 0.00 23.12 20.51 3kct s ALA 183 CO -0.06 -1.24 1.86 0.87 0.00 0.00 0.00 175.76 177.19 3kct h LYS 184 N 1.26 0.00 -5.62 0.00 1.57 -1.51 -3.44 116.57 108.82 3kct h LYS 184 Ca -0.51 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.78 3kct h LYS 184 Cb 1.30 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 3kct h LYS 184 CO 0.56 0.01 -0.71 -1.59 -0.57 0.00 0.00 179.45 177.16 3kct s LYS 185 N -3.53 1.47 0.11 3.15 -2.85 -1.26 -5.07 119.74 111.77 3kct s LYS 185 Ca 0.03 -1.70 -0.31 0.00 -1.00 0.00 0.00 55.97 52.99 3kct s LYS 185 Cb 0.08 -1.22 -0.09 0.00 -2.06 0.00 0.00 37.83 34.54 3kct s LYS 185 CO 0.59 0.14 1.58 -1.25 0.10 0.00 0.00 175.35 176.51 3kct s PRO 186 N -3.66 4.22 0.12 1.78 0.04 -1.26 -4.99 135.00 131.25 3kct s PRO 186 Ca 0.26 2.31 0.03 0.00 0.04 0.00 0.00 61.00 63.65 3kct s PRO 186 Cb 0.01 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 3kct s PRO 186 CO 0.10 -0.64 -0.09 0.14 0.04 0.00 0.00 177.00 176.55 3kct s VAL 187 N 1.82 0.97 0.15 -0.36 -7.23 -1.26 -5.08 120.40 109.40 3kct s VAL 187 Ca 0.71 -1.95 -0.31 0.00 -1.81 0.00 0.00 61.98 58.61 3kct s VAL 187 Cb -0.41 -1.71 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 3kct s VAL 187 CO 0.31 -0.76 1.67 -1.58 -0.31 0.00 0.00 175.10 174.43 3kct s GLN 188 N -3.63 4.18 0.13 4.82 2.00 -1.26 -4.98 119.66 120.92 3kct s GLN 188 Ca 0.13 2.45 -0.25 0.00 -2.00 0.00 0.00 55.36 55.69 3kct s GLN 188 Cb 0.03 -3.32 -0.07 0.00 0.80 0.00 0.00 33.01 30.45 3kct s GLN 188 CO -0.01 -0.71 0.77 -0.51 -0.50 0.00 0.00 175.29 174.32 3kct s LEU 189 N 1.77 4.56 0.80 3.68 1.43 -1.26 -4.68 118.68 124.99 3kct s LEU 189 Ca 0.74 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 3kct s LEU 189 Cb -0.45 -3.27 0.07 0.00 0.03 0.00 0.00 46.19 42.58 3kct s LEU 189 CO 0.33 0.17 1.15 -2.16 0.23 0.00 0.00 176.35 176.06 3kct s PRO 190 N -0.89 2.03 0.89 1.29 0.04 -1.26 -4.94 135.00 132.15 3kct s PRO 190 Ca 0.36 0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.52 3kct s PRO 190 Cb -0.22 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.49 3kct s PRO 190 CO 0.25 -1.57 1.12 0.20 0.04 0.00 0.00 177.00 177.04 3kct s GLY 191 N -4.42 1.59 0.46 0.56 0.00 -1.26 -4.44 107.32 99.81 3kct s GLY 191 Ca 0.61 -0.40 -0.25 0.00 0.00 0.00 0.00 44.72 44.69 3kct s GLY 191 CO 0.50 0.12 1.42 0.00 0.00 0.00 0.00 173.10 175.15 3kct n ALA 192 N -3.72 1.95 -3.71 3.20 0.00 -1.26 -4.82 120.51 112.15 3kct n ALA 192 Ca 0.07 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.65 3kct n ALA 192 Cb 0.58 -2.38 0.02 0.00 0.00 0.00 0.00 19.45 17.66 3kct n ALA 192 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3kct s TYR 193 N -1.20 0.20 0.07 0.00 -0.85 -0.31 -4.63 117.35 110.63 3kct s TYR 193 Ca 0.63 -0.83 0.08 0.00 -0.52 0.00 0.00 57.07 56.43 3kct s TYR 193 Cb -0.45 0.74 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 3kct s TYR 193 CO 0.56 -1.51 -0.17 -0.80 -1.52 0.00 0.00 175.55 172.11 3kct s ASN 194 N -3.08 3.92 -0.19 -0.18 0.01 -0.61 -0.04 114.94 114.77 3kct s ASN 194 Ca 0.17 -0.46 -0.00 0.00 -0.71 0.00 0.00 52.86 51.85 3kct s ASN 194 Cb -0.05 -0.62 0.01 0.00 0.41 0.00 0.00 41.25 41.01 3kct s ASN 194 CO 0.12 0.22 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.08 3kct s VAL 195 N -1.04 2.36 -0.13 1.60 1.01 0.67 -0.45 120.40 124.42 3kct s VAL 195 Ca 0.17 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 3kct s VAL 195 Cb -0.11 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3kct s VAL 195 CO 0.08 0.50 0.47 0.20 0.00 0.00 0.00 175.10 176.35 3kct s ASN 196 N 1.33 6.66 0.03 3.32 0.02 -0.34 -0.37 114.94 125.59 3kct s ASN 196 Ca 0.05 0.78 0.02 0.00 -1.02 0.00 0.00 52.86 52.69 3kct s ASN 196 Cb -0.13 -2.28 -0.02 0.00 0.02 0.00 0.00 41.25 38.83 3kct s ASN 196 CO -0.11 -0.02 -0.08 -0.13 0.02 0.00 0.00 177.10 176.79 3kct s ARG 197 N 0.74 0.55 -0.11 -0.60 0.52 -0.30 -1.17 118.95 118.59 3kct s ARG 197 Ca 0.25 -0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 54.79 3kct s ARG 197 Cb -0.15 -0.39 0.04 0.00 0.52 0.00 0.00 34.95 34.97 3kct s ARG 197 CO 0.10 0.08 0.02 0.21 0.02 0.00 0.00 175.30 175.73 3kct s LYS 198 N -1.25 0.53 -0.18 3.54 2.47 -0.42 -1.66 119.74 122.76 3kct s LYS 198 Ca -0.06 -0.02 -0.03 0.00 -1.56 0.00 0.00 55.97 54.30 3kct s LYS 198 Cb -0.08 -1.29 -0.01 0.00 -1.46 0.00 0.00 37.83 34.98 3kct s LYS 198 CO 0.00 -0.42 -0.07 -1.17 0.16 0.00 0.00 175.35 173.85 3kct s LEU 199 N 1.97 2.86 -0.02 5.43 2.96 -1.26 -1.72 118.68 128.90 3kct s LEU 199 Ca 0.03 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3kct s LEU 199 Cb -0.14 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 3kct s LEU 199 CO -0.06 0.06 -0.15 -1.81 -1.32 0.00 0.00 176.35 173.07 3kct s ASP 200 N 0.99 1.80 -0.22 3.68 1.01 0.11 -4.49 116.67 119.55 3kct s ASP 200 Ca -0.01 -0.28 -0.28 0.00 0.71 0.00 0.00 52.55 52.69 3kct s ASP 200 Cb -0.15 -0.27 0.00 0.00 1.01 0.00 0.00 42.92 43.51 3kct s ASP 200 CO -0.00 0.17 0.98 -0.63 0.21 0.00 0.00 175.17 175.90 3kct s ILE 201 N -0.25 4.73 -0.22 0.77 1.01 -1.26 -0.49 121.20 125.49 3kct s ILE 201 Ca 0.04 1.91 0.22 0.00 0.00 0.00 0.00 60.65 62.82 3kct s ILE 201 Cb -0.07 -4.26 -0.25 0.00 0.01 0.00 0.00 42.46 37.89 3kct s ILE 201 CO -0.00 -0.13 0.66 0.35 0.00 0.00 0.00 174.94 175.82 3kct n THR 202 N 5.22 0.11 -3.53 2.92 -2.24 -0.32 -4.97 114.28 111.47 3kct n THR 202 Ca 0.10 -0.43 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 3kct n THR 202 Cb 0.47 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 3kct n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kct s SER 203 N -4.42 -0.32 -0.11 3.42 1.04 -1.16 -4.99 113.70 107.15 3kct s SER 203 Ca -0.04 -0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.08 3kct s SER 203 Cb 0.14 0.34 0.11 0.00 0.10 0.00 0.00 66.02 66.71 3kct s SER 203 CO 0.88 -0.56 0.92 -1.38 0.98 0.00 0.00 173.24 174.08 3kct s HIS 204 N -2.99 -0.41 1.00 5.02 -0.00 -1.26 -0.32 115.29 116.32 3kct s HIS 204 Ca 0.06 0.64 -0.16 0.00 -0.00 0.00 0.00 55.06 55.59 3kct s HIS 204 Cb -0.01 0.46 0.21 0.00 -0.00 0.00 0.00 32.58 33.24 3kct s HIS 204 CO -0.08 -0.42 1.28 0.54 -0.00 0.00 0.00 174.74 176.06 3kct s ASN 205 N -1.37 2.78 0.31 7.38 4.22 -0.59 -4.93 114.94 122.74 3kct s ASN 205 Ca -0.02 0.35 0.03 0.00 -2.14 0.00 0.00 52.86 51.08 3kct s ASN 205 Cb -0.00 -0.45 0.61 0.00 1.28 0.00 0.00 41.25 42.68 3kct s ASN 205 CO 0.01 -2.95 1.89 -0.08 -2.04 0.00 0.00 177.10 173.93 3kct h GLU 206 N -1.79 0.91 -0.31 3.55 4.22 -2.02 -2.62 114.58 116.51 3kct h GLU 206 Ca -0.45 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.94 3kct h GLU 206 Cb 1.25 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3kct h GLU 206 CO 0.38 0.60 0.00 -0.40 -2.18 0.00 0.00 179.01 177.42 3kct n ASP 207 N -4.53 3.76 -2.95 1.04 3.85 -1.26 -4.95 116.55 111.51 3kct n ASP 207 Ca 0.15 -2.74 -0.22 0.00 -0.71 0.00 0.00 54.79 51.27 3kct n ASP 207 Cb 0.29 -0.47 0.03 0.00 -1.35 0.00 0.00 41.12 39.61 3kct n ASP 207 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3kct n TYR 208 N -0.14 -1.83 1.06 2.11 4.02 -0.99 -4.47 117.16 116.91 3kct n TYR 208 Ca 0.19 0.45 0.12 0.00 -0.01 0.00 0.00 57.90 58.65 3kct n TYR 208 Cb 0.79 -4.36 0.20 0.00 -0.02 0.00 0.00 39.34 35.94 3kct n TYR 208 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3kct n THR 209 N -4.42 0.00 -4.05 -0.72 -2.24 -1.26 -4.75 114.28 96.84 3kct n THR 209 Ca -0.13 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.39 3kct n THR 209 Cb 0.63 0.50 -0.17 0.00 -2.10 0.00 0.00 70.33 69.19 3kct n THR 209 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kct s ILE 210 N -2.83 0.49 -0.08 2.28 1.01 -1.26 -0.36 121.20 120.44 3kct s ILE 210 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 3kct s ILE 210 Cb 0.18 -0.55 0.04 0.00 0.01 0.00 0.00 42.46 42.14 3kct s ILE 210 CO 0.67 0.23 0.20 -0.69 0.00 0.00 0.00 174.94 175.36 3kct s VAL 211 N 1.19 -0.04 -0.08 2.92 1.01 -0.27 -1.55 120.40 123.60 3kct s VAL 211 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3kct s VAL 211 Cb -0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 3kct s VAL 211 CO -0.02 0.06 -0.07 -1.61 0.00 0.00 0.00 175.10 173.46 3kct s GLU 212 N 1.03 2.85 0.17 2.72 2.02 0.56 0.04 118.70 128.10 3kct s GLU 212 Ca -0.08 -0.55 0.04 0.00 0.02 0.00 0.00 54.97 54.41 3kct s GLU 212 Cb -0.09 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 3kct s GLU 212 CO -0.06 0.62 -0.07 1.14 0.02 0.00 0.00 175.26 176.90 3kct s GLN 213 N -0.68 1.15 -0.00 1.61 -2.07 -0.08 -1.17 119.66 118.43 3kct s GLN 213 Ca 0.10 -1.52 0.01 0.00 -1.82 0.00 0.00 55.36 52.13 3kct s GLN 213 Cb -0.11 -0.63 -0.00 0.00 -1.09 0.00 0.00 33.01 31.17 3kct s GLN 213 CO 0.02 0.02 -0.05 -0.47 -1.32 0.00 0.00 175.29 173.49 3kct s TYR 214 N -3.35 0.41 -0.00 9.60 5.04 0.36 -0.98 117.35 128.43 3kct s TYR 214 Ca 0.21 -0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.74 3kct s TYR 214 Cb 0.03 -0.26 -0.00 0.00 0.35 0.00 0.00 41.96 42.07 3kct s TYR 214 CO 0.03 -0.01 -0.05 -2.00 -1.34 0.00 0.00 175.55 172.18 3kct s GLU 215 N -0.21 0.40 -0.11 4.97 -6.30 -0.61 -0.71 118.70 116.13 3kct s GLU 215 Ca 0.01 -0.21 0.03 0.00 -2.50 0.00 0.00 54.97 52.30 3kct s GLU 215 Cb -0.02 -0.37 0.01 0.00 0.00 0.00 0.00 34.13 33.74 3kct s GLU 215 CO -0.00 0.10 -0.20 0.50 0.02 0.00 0.00 175.26 175.68 3kct s ARG 216 N -0.21 2.70 -0.01 4.30 3.52 -0.70 -2.01 118.95 126.54 3kct s ARG 216 Ca 0.01 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 3kct s ARG 216 Cb -0.02 -2.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 3kct s ARG 216 CO -0.00 0.05 -0.05 0.00 -0.81 0.00 0.00 175.30 174.49 3kct s ALA 217 N 0.66 0.46 -0.08 6.12 0.00 0.64 -1.30 121.76 128.26 3kct s ALA 217 Ca -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 3kct s ALA 217 Cb -0.16 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.82 3kct s ALA 217 CO 0.03 0.07 0.18 -2.00 0.00 0.00 0.00 175.76 174.04 3kct s GLU 218 N 0.15 0.10 0.39 0.00 2.12 -0.32 -1.87 118.70 119.27 3kct s GLU 218 Ca -0.01 0.47 -0.25 0.00 0.36 0.00 0.00 54.97 55.54 3kct s GLU 218 Cb -0.05 -0.18 -0.09 0.00 0.26 0.00 0.00 34.13 34.07 3kct s GLU 218 CO -0.00 -0.20 1.08 0.20 -0.54 0.00 0.00 175.26 175.79 3kct s GLY 219 N 1.51 2.80 0.02 -1.50 0.00 0.12 -1.20 107.32 109.06 3kct s GLY 219 Ca -0.06 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.44 3kct s GLY 219 CO -0.07 1.24 -0.03 0.50 0.00 0.00 0.00 173.10 174.75 3kct s ARG 220 N -2.34 0.25 0.53 2.90 1.81 0.40 -4.10 118.95 118.40 3kct s ARG 220 Ca 0.56 -0.44 -0.22 0.00 -1.72 0.00 0.00 55.73 53.92 3kct s ARG 220 Cb -0.25 0.03 -0.05 0.00 -0.45 0.00 0.00 34.95 34.23 3kct s ARG 220 CO 0.31 -0.02 1.30 -1.01 -0.68 0.00 0.00 175.30 175.19 3kct s HIS 221 N -1.01 2.43 -2.00 -0.53 3.76 -1.26 -1.57 115.29 115.11 3kct s HIS 221 Ca -0.11 1.43 0.06 0.00 -0.15 0.00 0.00 55.06 56.29 3kct s HIS 221 Cb -0.07 -3.67 0.36 0.00 1.11 0.00 0.00 32.58 30.31 3kct s HIS 221 CO -0.01 -2.50 0.82 0.43 -0.85 0.00 0.00 174.74 172.64