#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6fit s PHE 3 N 0.00 2.19 -0.06 1.43 0.08 -0.55 -4.99 117.98 116.08 6fit s PHE 3 Ca 0.00 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.70 6fit s PHE 3 Cb 0.00 -1.19 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 6fit s PHE 3 CO 0.00 0.30 -0.17 -0.98 -0.10 0.00 0.00 175.22 174.28 6fit s ARG 4 N -2.00 1.95 -0.48 0.44 1.70 -1.26 0.64 118.95 119.94 6fit s ARG 4 Ca 0.12 -0.58 0.03 0.00 -0.47 0.00 0.00 55.73 54.83 6fit s ARG 4 Cb -0.10 -1.62 0.13 0.00 -0.57 0.00 0.00 34.95 32.79 6fit s ARG 4 CO 0.05 0.16 0.25 0.12 -1.08 0.00 0.00 175.30 174.80 6fit s PHE 5 N 0.30 2.66 0.00 5.89 5.36 0.16 -4.91 117.98 127.44 6fit s PHE 5 Ca -0.10 -2.85 0.00 0.00 -0.96 0.00 0.00 56.93 53.02 6fit s PHE 5 Cb -0.14 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 6fit s PHE 5 CO 0.04 -0.76 0.00 0.41 -1.46 0.00 0.00 175.22 173.45 6fit n GLY 6 N 3.31 2.18 0.19 13.12 0.00 -1.26 -2.11 105.19 120.62 6fit n GLY 6 Ca 0.06 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 6fit n GLY 6 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 6fit h GLN 7 N 0.00 0.65 -6.94 1.61 -0.00 -1.95 -3.45 115.11 105.03 6fit h GLN 7 Ca 0.00 -0.60 -0.51 0.00 -0.00 0.00 0.00 58.65 57.54 6fit h GLN 7 Cb 0.00 0.15 0.05 0.00 -0.00 0.00 0.00 27.48 27.68 6fit h GLN 7 CO 0.00 1.21 0.51 -1.01 -0.00 0.00 0.00 178.83 179.55 6fit s HIS 8 N -3.53 3.04 -0.16 0.06 0.09 -0.90 -5.01 115.29 108.88 6fit s HIS 8 Ca -0.11 1.54 -0.06 0.00 -0.00 0.00 0.00 55.06 56.43 6fit s HIS 8 Cb 0.07 -3.42 -0.04 0.00 -0.00 0.00 0.00 32.58 29.19 6fit s HIS 8 CO 0.88 -1.40 0.04 -1.17 -0.00 0.00 0.00 174.74 173.09 6fit s LEU 9 N -2.49 3.70 -0.07 0.89 0.20 -1.26 0.37 118.68 120.02 6fit s LEU 9 Ca 0.57 0.07 0.02 0.00 0.69 0.00 0.00 54.13 55.49 6fit s LEU 9 Cb -0.31 -1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 43.51 6fit s LEU 9 CO 0.39 0.22 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.92 6fit s ILE 10 N 0.09 3.23 -0.06 6.68 1.01 0.21 -4.93 121.20 127.42 6fit s ILE 10 Ca 0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 6fit s ILE 10 Cb -0.13 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 6fit s ILE 10 CO 0.01 0.58 1.07 -0.54 0.00 0.00 0.00 174.94 176.06 6fit s LYS 11 N -0.55 4.42 0.28 2.79 1.02 -1.26 -1.48 119.74 124.96 6fit s LYS 11 Ca 0.08 1.50 0.01 0.00 0.02 0.00 0.00 55.97 57.58 6fit s LYS 11 Cb -0.12 -3.52 0.66 0.00 -0.52 0.00 0.00 37.83 34.34 6fit s LYS 11 CO 0.02 -0.31 1.43 -2.30 -0.92 0.00 0.00 175.35 173.26 6fit n PRO 12 N 4.82 -0.07 -1.45 -1.68 -0.02 -1.26 -1.93 135.00 133.40 6fit n PRO 12 Ca 0.09 1.37 -0.40 0.00 -2.02 0.00 0.00 63.50 62.54 6fit n PRO 12 Cb 0.48 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 6fit n PRO 12 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 6fit n SER 13 N -5.36 4.70 0.00 2.55 3.41 -1.26 -0.03 113.62 117.63 6fit n SER 13 Ca 0.21 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 6fit n SER 13 Cb 0.67 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 6fit n SER 13 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 6fit n VAL 14 N 4.89 0.00 -2.83 -3.33 0.31 -0.81 -4.35 118.33 112.21 6fit n VAL 14 Ca 0.56 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.47 6fit n VAL 14 Cb 0.34 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.23 6fit n VAL 14 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 6fit s VAL 15 N -0.07 4.72 -0.82 2.52 1.01 0.96 -2.45 120.40 126.26 6fit s VAL 15 Ca 0.00 1.47 0.17 0.00 0.00 0.00 0.00 61.98 63.61 6fit s VAL 15 Cb 0.00 -4.22 0.71 0.00 0.00 0.00 0.00 36.38 32.87 6fit s VAL 15 CO 0.00 -0.27 1.63 2.22 0.00 0.00 0.00 175.10 178.68 6fit n PHE 16 N 6.35 1.54 -3.65 5.22 1.16 -0.73 -4.92 117.46 122.43 6fit n PHE 16 Ca 0.07 -0.66 -0.03 0.00 -1.87 0.00 0.00 57.45 54.95 6fit n PHE 16 Cb 0.48 -0.31 -0.07 0.00 -1.61 0.00 0.00 39.48 37.97 6fit n PHE 16 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 6fit s LEU 17 N -2.12 -0.09 -0.19 5.98 2.96 -1.25 -4.42 118.68 119.54 6fit s LEU 17 Ca 0.50 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.54 6fit s LEU 17 Cb 0.34 1.19 0.10 0.00 0.50 0.00 0.00 46.19 48.32 6fit s LEU 17 CO 0.21 -0.04 0.29 -0.75 -1.32 0.00 0.00 176.35 174.74 6fit s LYS 18 N -0.10 0.23 0.30 1.98 2.20 -1.26 -1.52 119.74 121.56 6fit s LYS 18 Ca 0.07 0.51 0.04 0.00 -0.36 0.00 0.00 55.97 56.23 6fit s LYS 18 Cb -0.04 -0.56 0.05 0.00 -1.51 0.00 0.00 37.83 35.77 6fit s LYS 18 CO -0.14 -0.52 0.41 0.25 -0.36 0.00 0.00 175.35 175.00 6fit n THR 19 N 5.35 0.00 -0.15 3.43 -2.24 0.20 -4.99 114.28 115.88 6fit n THR 19 Ca -0.05 -0.91 0.13 0.00 -2.27 0.00 0.00 64.05 60.95 6fit n THR 19 Cb 0.50 -0.84 0.48 0.00 -2.10 0.00 0.00 70.33 68.37 6fit n THR 19 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 6fit h GLU 20 N 0.00 0.45 0.00 -0.78 4.81 -2.01 -3.29 114.58 113.76 6fit h GLU 20 Ca -0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 6fit h GLU 20 Cb 0.61 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.89 6fit h GLU 20 CO 0.19 0.30 0.00 1.28 -0.73 0.00 0.00 179.01 180.04 6fit n LEU 21 N -4.48 0.12 -4.26 1.64 4.77 -1.26 -5.04 117.00 108.49 6fit n LEU 21 Ca 0.13 -0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 6fit n LEU 21 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 6fit n LEU 21 CO 0.33 0.03 -0.31 -0.44 -1.33 0.00 0.00 177.39 175.67 6fit s SER 22 N -0.07 1.20 0.01 -1.43 0.01 -1.24 -0.18 113.70 111.99 6fit s SER 22 Ca 0.00 -1.23 -0.20 0.00 1.31 0.00 0.00 55.95 55.83 6fit s SER 22 Cb 0.00 0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.40 6fit s SER 22 CO 0.00 -0.61 0.44 0.72 0.41 0.00 0.00 173.24 174.20 6fit s PHE 23 N -3.69 -0.32 0.19 2.43 -0.71 -0.42 0.60 117.98 116.07 6fit s PHE 23 Ca 0.28 0.42 0.11 0.00 -1.04 0.00 0.00 56.93 56.70 6fit s PHE 23 Cb 0.06 0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 6fit s PHE 23 CO 0.06 -0.53 -0.23 0.00 -1.34 0.00 0.00 175.22 173.19 6fit s ALA 24 N -1.88 2.44 0.08 1.99 0.00 -0.58 -0.97 121.76 122.84 6fit s ALA 24 Ca -0.09 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.16 6fit s ALA 24 Cb -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.80 6fit s ALA 24 CO 0.02 0.39 0.21 -0.48 0.00 0.00 0.00 175.76 175.90 6fit s LEU 25 N -2.69 1.31 0.25 0.00 2.34 -0.67 -1.77 118.68 117.45 6fit s LEU 25 Ca 0.20 -0.54 -0.25 0.00 0.06 0.00 0.00 54.13 53.60 6fit s LEU 25 Cb -0.07 1.10 -0.09 0.00 -0.56 0.00 0.00 46.19 46.56 6fit s LEU 25 CO 0.09 -0.70 0.85 -0.69 -1.06 0.00 0.00 176.35 174.85 6fit s VAL 26 N -3.51 4.32 0.38 1.48 1.01 -1.02 -2.27 120.40 120.79 6fit s VAL 26 Ca 0.02 1.68 -0.24 0.00 0.00 0.00 0.00 61.98 63.44 6fit s VAL 26 Cb 0.03 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 6fit s VAL 26 CO -0.09 0.28 1.04 0.21 0.00 0.00 0.00 175.10 176.54 6fit s ASN 27 N -1.48 6.85 -0.57 3.32 3.04 -1.22 -4.92 114.94 119.95 6fit s ASN 27 Ca 0.44 2.03 0.00 0.00 0.04 0.00 0.00 52.86 55.37 6fit s ASN 27 Cb -0.20 -2.59 0.46 0.00 -1.54 0.00 0.00 41.25 37.39 6fit s ASN 27 CO 0.25 -0.43 1.85 -2.11 -3.04 0.00 0.00 177.10 173.62 6fit n ARG 28 N 0.06 2.84 0.00 0.43 1.85 -1.26 -4.33 116.66 116.25 6fit n ARG 28 Ca 0.04 -3.46 0.00 0.00 -1.00 0.00 0.00 57.85 53.44 6fit n ARG 28 Cb 0.49 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.63 6fit n ARG 28 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 6fit n LYS 29 N -0.89 0.00 -2.03 2.89 4.81 -1.26 -4.26 118.16 117.41 6fit n LYS 29 Ca 0.58 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.64 6fit n LYS 29 Cb 0.77 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.83 6fit n LYS 29 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 6fit s PRO 30 N 0.00 3.61 -0.03 1.64 0.04 -1.26 -4.95 135.00 134.04 6fit s PRO 30 Ca 0.00 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.95 6fit s PRO 30 Cb 0.00 -2.46 -0.32 0.00 0.04 0.00 0.00 34.50 31.76 6fit s PRO 30 CO 0.00 -0.75 0.77 0.28 0.04 0.00 0.00 177.00 177.34 6fit h VAL 31 N 1.91 1.09 -3.87 -0.36 2.07 -1.99 -3.46 116.25 111.63 6fit h VAL 31 Ca -0.50 -2.56 -0.24 0.00 0.82 0.00 0.00 66.70 64.22 6fit h VAL 31 Cb 1.26 2.88 -0.25 0.00 -1.52 0.00 0.00 31.29 33.66 6fit h VAL 31 CO 0.60 0.82 -0.72 0.68 0.02 0.00 0.00 177.57 178.96 6fit s VAL 32 N -2.56 0.19 0.14 2.57 -7.23 -1.26 -5.09 120.40 107.16 6fit s VAL 32 Ca -0.14 -0.46 -0.34 0.00 -1.81 0.00 0.00 61.98 59.23 6fit s VAL 32 Cb 0.05 -0.24 -0.16 0.00 0.56 0.00 0.00 36.38 36.59 6fit s VAL 32 CO 0.87 -0.17 1.26 -0.81 -0.31 0.00 0.00 175.10 175.94 6fit n PRO 33 N 2.40 1.24 -0.55 4.82 -0.04 -1.26 -1.44 135.00 140.16 6fit n PRO 33 Ca -0.17 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 6fit n PRO 33 Cb 0.57 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 6fit n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 6fit n GLY 34 N 2.28 0.68 3.55 0.55 0.00 -1.26 -4.52 105.19 106.47 6fit n GLY 34 Ca 0.16 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 6fit n GLY 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 6fit s HIS 35 N -2.00 1.96 0.36 1.61 5.04 -0.52 -4.34 115.29 117.40 6fit s HIS 35 Ca 0.00 0.41 0.08 0.00 -1.54 0.00 0.00 55.06 54.01 6fit s HIS 35 Cb 0.00 -4.34 -0.05 0.00 0.04 0.00 0.00 32.58 28.23 6fit s HIS 35 CO 0.00 -2.20 0.08 0.14 -2.34 0.00 0.00 174.74 170.42 6fit s VAL 36 N 7.46 2.61 -0.02 0.89 -7.23 -0.74 -3.39 120.40 119.98 6fit s VAL 36 Ca 0.53 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 6fit s VAL 36 Cb -0.11 -2.89 0.02 0.00 0.56 0.00 0.00 36.38 33.96 6fit s VAL 36 CO 0.19 -0.14 0.01 -1.48 -0.31 0.00 0.00 175.10 173.36 6fit s LEU 37 N -3.79 1.41 -0.10 1.32 0.05 -0.96 -0.77 118.68 115.84 6fit s LEU 37 Ca 0.37 0.00 -0.04 0.00 0.05 0.00 0.00 54.13 54.51 6fit s LEU 37 Cb 0.01 -0.11 -0.04 0.00 -2.05 0.00 0.00 46.19 44.00 6fit s LEU 37 CO 0.21 -0.07 0.05 -0.69 -0.55 0.00 0.00 176.35 175.29 6fit s VAL 38 N 0.69 4.71 0.03 1.48 1.01 -0.69 -1.67 120.40 125.96 6fit s VAL 38 Ca -0.06 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 6fit s VAL 38 Cb -0.09 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.31 6fit s VAL 38 CO -0.02 0.61 0.34 0.00 0.00 0.00 0.00 175.10 176.03 6fit s PRO 40 N -2.19 3.43 0.21 0.00 0.04 -1.25 -1.30 135.00 133.94 6fit s PRO 40 Ca -0.07 1.60 -0.08 0.00 0.04 0.00 0.00 61.00 62.49 6fit s PRO 40 Cb -0.02 -2.04 0.17 0.00 0.04 0.00 0.00 34.50 32.64 6fit s PRO 40 CO -0.01 -0.79 1.82 -0.07 0.04 0.00 0.00 177.00 178.00 6fit h LEU 41 N 1.30 1.03 -9.49 -3.56 3.38 -0.88 -3.41 115.31 103.68 6fit h LEU 41 Ca -0.50 -0.12 -0.53 0.00 0.09 0.00 0.00 57.88 56.82 6fit h LEU 41 Cb 1.26 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.75 6fit h LEU 41 CO 0.57 0.86 0.62 -0.60 0.09 0.00 0.00 178.44 179.98 6fit s ARG 42 N -5.77 4.39 -0.69 1.13 3.52 -1.26 -4.88 118.95 115.39 6fit s ARG 42 Ca -0.13 1.85 -0.06 0.00 -0.13 0.00 0.00 55.73 57.27 6fit s ARG 42 Cb 0.16 -3.34 -0.11 0.00 -1.56 0.00 0.00 34.95 30.09 6fit s ARG 42 CO 0.82 -0.33 2.50 -0.35 -0.81 0.00 0.00 175.30 177.13 6fit n PRO 43 N 4.05 2.13 -1.70 5.12 -0.04 -1.26 -4.90 135.00 138.39 6fit n PRO 43 Ca 0.10 -1.30 -0.31 0.00 -0.04 0.00 0.00 63.50 61.95 6fit n PRO 43 Cb 0.45 -2.28 0.04 0.00 -0.04 0.00 0.00 33.50 31.67 6fit n PRO 43 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 6fit s VAL 44 N 2.47 4.18 -0.18 0.52 -7.23 -1.26 -4.93 120.40 113.97 6fit s VAL 44 Ca 0.48 0.71 0.13 0.00 -1.81 0.00 0.00 61.98 61.49 6fit s VAL 44 Cb 0.16 -3.56 -0.18 0.00 0.56 0.00 0.00 36.38 33.36 6fit s VAL 44 CO -0.03 -0.93 0.35 1.21 -0.31 0.00 0.00 175.10 175.40 6fit n GLU 45 N -3.00 1.09 -4.14 4.82 2.13 -1.26 -2.38 120.64 117.90 6fit n GLU 45 Ca 0.07 -0.08 -0.17 0.00 0.66 0.00 0.00 57.16 57.64 6fit n GLU 45 Cb 0.54 -1.24 -0.15 0.00 0.27 0.00 0.00 31.44 30.86 6fit n GLU 45 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 6fit s ARG 46 N -2.68 0.47 0.39 5.31 1.81 -1.26 -4.43 118.95 118.56 6fit s ARG 46 Ca -0.02 -0.16 0.21 0.00 -1.72 0.00 0.00 55.73 54.05 6fit s ARG 46 Cb 0.08 -0.48 1.22 0.00 -0.45 0.00 0.00 34.95 35.33 6fit s ARG 46 CO 0.52 0.07 1.67 0.35 -0.68 0.00 0.00 175.30 177.23 6fit h PHE 47 N 6.28 0.71 0.00 -0.53 3.57 -1.94 0.40 116.94 125.43 6fit h PHE 47 Ca -0.31 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.22 6fit h PHE 47 Cb 1.18 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.73 6fit h PHE 47 CO 0.43 -0.13 0.00 1.12 -2.23 0.00 0.00 178.31 177.50 6fit h HIS 48 N 0.25 0.00 0.00 0.41 2.07 -2.01 -2.48 115.15 113.38 6fit h HIS 48 Ca 0.73 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.25 6fit h HIS 48 Cb 1.97 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.95 6fit h HIS 48 CO -0.01 0.00 0.00 -0.25 -3.07 0.00 0.00 177.93 174.60 6fit n ASP 49 N -2.85 0.02 -4.76 3.10 8.00 0.14 -4.81 116.55 115.41 6fit n ASP 49 Ca 0.02 0.50 -0.40 0.00 0.71 0.00 0.00 54.79 55.62 6fit n ASP 49 Cb 0.34 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 6fit n ASP 49 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 6fit s LEU 50 N -3.05 4.56 0.85 0.64 1.43 -0.94 -5.04 118.68 117.14 6fit s LEU 50 Ca 0.12 2.11 -0.11 0.00 -1.03 0.00 0.00 54.13 55.22 6fit s LEU 50 Cb 0.16 -3.66 0.10 0.00 0.03 0.00 0.00 46.19 42.82 6fit s LEU 50 CO 0.45 -0.03 1.10 -0.13 0.23 0.00 0.00 176.35 177.96 6fit s ARG 51 N -1.41 1.67 0.29 1.70 0.52 -1.26 -4.82 118.95 115.64 6fit s ARG 51 Ca 0.44 0.73 -0.02 0.00 -0.52 0.00 0.00 55.73 56.36 6fit s ARG 51 Cb -0.29 -1.86 0.44 0.00 0.52 0.00 0.00 34.95 33.76 6fit s ARG 51 CO 0.36 -1.93 1.94 -1.35 0.02 0.00 0.00 175.30 174.34 6fit h PRO 52 N -1.32 1.11 -0.39 3.54 0.11 -1.98 -1.59 132.00 131.48 6fit h PRO 52 Ca -0.48 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 65.41 6fit h PRO 52 Cb 1.28 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 6fit h PRO 52 CO 0.57 0.73 -0.35 0.38 -0.21 0.00 0.00 178.00 179.12 6fit h ASP 53 N 1.14 0.99 -0.87 -2.05 2.03 -1.99 -1.82 116.42 113.86 6fit h ASP 53 Ca 0.35 -0.46 0.01 0.00 -0.73 0.00 0.00 57.03 56.20 6fit h ASP 53 Cb -0.00 -0.28 -0.04 0.00 -0.83 0.00 0.00 39.33 38.18 6fit h ASP 53 CO -0.10 1.24 0.56 -0.33 -1.03 0.00 0.00 179.24 179.59 6fit h GLU 54 N 0.76 1.15 -0.06 4.15 5.08 -1.83 0.12 114.58 123.94 6fit h GLU 54 Ca 0.07 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 6fit h GLU 54 Cb 0.95 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 6fit h GLU 54 CO 0.09 0.77 0.02 0.28 -1.00 0.00 0.00 179.01 179.17 6fit h VAL 55 N 1.18 1.16 -0.40 3.13 2.07 -0.98 0.51 116.25 122.91 6fit h VAL 55 Ca 0.32 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 6fit h VAL 55 Cb -0.12 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 6fit h VAL 55 CO -0.07 0.13 0.15 0.00 0.02 0.00 0.00 177.57 177.80 6fit h ALA 56 N 0.84 1.51 -0.00 1.67 0.00 -0.54 -2.29 119.26 120.45 6fit h ALA 56 Ca 0.02 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 6fit h ALA 56 Cb 0.19 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.83 6fit h ALA 56 CO -0.00 0.38 -1.02 0.22 0.00 0.00 0.00 179.25 178.83 6fit h ASP 57 N 0.57 0.83 0.41 0.00 3.58 -0.61 -2.32 116.42 118.88 6fit h ASP 57 Ca 0.14 -0.66 -0.02 0.00 0.42 0.00 0.00 57.03 56.91 6fit h ASP 57 Cb 0.14 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 6fit h ASP 57 CO -0.01 1.46 -0.22 0.25 -2.88 0.00 0.00 179.24 177.84 6fit h LEU 58 N 0.36 -0.54 -0.19 2.28 5.85 -0.62 -2.12 115.31 120.34 6fit h LEU 58 Ca -0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.63 6fit h LEU 58 Cb 1.67 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.85 6fit h LEU 58 CO 0.20 -0.36 0.00 0.49 -0.34 0.00 0.00 178.44 178.42 6fit n PHE 59 N -5.35 0.94 -0.01 1.25 3.01 -0.89 -1.25 117.46 115.16 6fit n PHE 59 Ca -0.11 0.29 -0.12 0.00 1.01 0.00 0.00 57.45 58.53 6fit n PHE 59 Cb 0.26 -0.98 -0.10 0.00 -0.01 0.00 0.00 39.48 38.65 6fit n PHE 59 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 6fit h GLN 60 N 0.00 -0.07 -0.65 -1.08 4.20 -1.32 -2.26 115.11 113.92 6fit h GLN 60 Ca 0.00 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.85 6fit h GLN 60 Cb 0.65 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 6fit h GLN 60 CO 0.00 0.52 0.44 1.15 -0.67 0.00 0.00 178.83 180.27 6fit h THR 61 N -0.78 0.82 0.00 -0.54 2.02 -1.30 0.62 112.91 113.75 6fit h THR 61 Ca -0.01 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.98 6fit h THR 61 Cb 0.63 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 6fit h THR 61 CO 0.01 0.06 -0.38 0.74 0.37 0.00 0.00 175.52 176.33 6fit h THR 62 N 0.34 0.93 0.11 3.16 2.02 -1.09 -1.04 112.91 117.33 6fit h THR 62 Ca 0.31 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 6fit h THR 62 Cb 0.76 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 6fit h THR 62 CO -0.08 0.37 -0.05 -0.61 0.37 0.00 0.00 175.52 175.52 6fit h GLN 63 N 0.00 -0.14 0.53 6.66 4.15 0.87 -1.99 115.11 125.19 6fit h GLN 63 Ca -0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 6fit h GLN 63 Cb 0.87 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.59 6fit h GLN 63 CO 0.05 0.21 -0.32 0.00 -1.93 0.00 0.00 178.83 176.85 6fit h ARG 64 N -0.52 -0.76 -1.15 1.69 3.08 -1.34 -1.51 114.38 113.87 6fit h ARG 64 Ca -0.01 0.05 0.34 0.00 0.07 0.00 0.00 59.98 60.43 6fit h ARG 64 Cb 0.42 0.17 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 6fit h ARG 64 CO 0.02 -0.51 0.74 0.28 -1.07 0.00 0.00 179.97 179.43 6fit h VAL 65 N -0.79 0.34 -0.03 2.04 2.07 -1.29 0.27 116.25 118.86 6fit h VAL 65 Ca -0.07 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 6fit h VAL 65 Cb 0.63 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 6fit h VAL 65 CO 0.08 0.05 -0.00 1.23 0.02 0.00 0.00 177.57 178.95 6fit h GLY 66 N 0.26 0.05 0.56 2.17 0.00 -0.77 -2.51 103.07 102.83 6fit h GLY 66 Ca 0.69 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 48.01 6fit h GLY 66 CO -0.36 0.04 -0.15 -0.84 0.00 0.00 0.00 176.54 175.22 6fit h THR 67 N -0.26 0.61 -0.15 4.70 2.02 0.51 -2.05 112.91 118.30 6fit h THR 67 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 6fit h THR 67 Cb 0.33 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 6fit h THR 67 CO 0.00 0.00 -0.19 0.58 0.37 0.00 0.00 175.52 176.29 6fit h VAL 68 N -0.23 0.52 0.00 3.16 2.07 -1.35 -0.87 116.25 119.55 6fit h VAL 68 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 6fit h VAL 68 Cb 0.32 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 6fit h VAL 68 CO -0.18 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.04 6fit h VAL 69 N -0.23 0.00 0.07 2.57 -1.51 -1.39 -1.60 116.25 114.17 6fit h VAL 69 Ca 0.10 -0.29 -0.29 0.00 -1.23 0.00 0.00 66.70 65.00 6fit h VAL 69 Cb 0.38 1.08 0.03 0.00 -2.13 0.00 0.00 31.29 30.65 6fit h VAL 69 CO -0.28 0.00 -1.17 -0.08 -1.23 0.00 0.00 177.57 174.82 6fit h GLU 70 N 0.00 0.66 0.35 5.19 4.81 -0.45 -2.96 114.58 122.18 6fit h GLU 70 Ca 0.00 -0.81 -0.02 0.00 -0.13 0.00 0.00 59.36 58.40 6fit h GLU 70 Cb 0.43 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.07 6fit h GLU 70 CO 0.00 1.36 -0.17 -0.22 -0.73 0.00 0.00 179.01 179.26 6fit h LYS 71 N 0.33 -0.45 -0.72 1.92 3.64 -0.89 -1.44 116.57 118.95 6fit h LYS 71 Ca -0.17 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.44 6fit h LYS 71 Cb 1.83 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.71 6fit h LYS 71 CO 0.23 -0.30 0.51 1.25 -2.27 0.00 0.00 179.45 178.87 6fit h HIS 72 N -0.61 0.15 -0.32 1.91 2.76 -1.46 -1.85 115.15 115.73 6fit h HIS 72 Ca -0.05 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 6fit h HIS 72 Cb 0.36 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 6fit h HIS 72 CO 0.08 0.05 0.01 1.19 -1.30 0.00 0.00 177.93 177.96 6fit n PHE 73 N -4.38 1.15 -4.35 5.26 3.72 -1.12 -4.98 117.46 112.76 6fit n PHE 73 Ca 0.14 -0.93 -0.36 0.00 -0.05 0.00 0.00 57.45 56.25 6fit n PHE 73 Cb 0.72 -0.37 -0.07 0.00 -0.94 0.00 0.00 39.48 38.82 6fit n PHE 73 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 6fit n HIS 74 N -0.43 -1.37 -3.17 1.38 8.25 -0.70 -4.92 115.22 114.27 6fit n HIS 74 Ca 0.24 0.70 -0.35 0.00 -0.26 0.00 0.00 57.72 58.05 6fit n HIS 74 Cb 0.96 -2.56 -0.06 0.00 1.12 0.00 0.00 29.99 29.45 6fit n HIS 74 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 6fit s GLY 75 N -3.70 2.50 0.24 -1.41 0.00 -0.57 -4.80 107.32 99.59 6fit s GLY 75 Ca 0.49 0.06 0.14 0.00 0.00 0.00 0.00 44.72 45.42 6fit s GLY 75 CO 0.98 0.35 1.36 -0.91 0.00 0.00 0.00 173.10 174.88 6fit h THR 76 N 2.52 0.92 -3.53 0.90 1.35 0.37 -3.44 112.91 112.00 6fit h THR 76 Ca -0.48 -2.33 -0.19 0.00 -0.55 0.00 0.00 66.41 62.86 6fit h THR 76 Cb 1.19 2.43 -0.04 0.00 -1.73 0.00 0.00 68.15 69.99 6fit h THR 76 CO 0.66 0.52 -0.04 -1.20 -0.25 0.00 0.00 175.52 175.21 6fit n SER 77 N -3.20 -1.38 -4.29 5.36 7.64 -0.14 -4.99 113.62 112.61 6fit n SER 77 Ca 0.00 -2.58 -0.16 0.00 1.01 0.00 0.00 58.87 57.15 6fit n SER 77 Cb 0.77 2.48 -0.10 0.00 -1.01 0.00 0.00 64.21 66.35 6fit n SER 77 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 6fit s LEU 78 N 0.00 2.37 -0.06 -3.43 1.43 -1.26 0.11 118.68 117.84 6fit s LEU 78 Ca 0.22 -1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.20 6fit s LEU 78 Cb -0.02 -0.32 0.03 0.00 0.03 0.00 0.00 46.19 45.91 6fit s LEU 78 CO 0.16 -0.41 0.03 -0.89 0.23 0.00 0.00 176.35 175.47 6fit s THR 79 N -3.36 0.17 0.03 5.49 2.01 -0.37 -4.90 115.64 114.70 6fit s THR 79 Ca 0.22 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.49 6fit s THR 79 Cb 0.04 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 6fit s THR 79 CO 0.04 0.22 0.02 -0.36 -0.69 0.00 0.00 174.62 173.86 6fit s PHE 80 N 2.04 3.10 -0.29 4.92 0.40 -1.26 -1.22 117.98 125.67 6fit s PHE 80 Ca 0.05 0.08 -0.14 0.00 -0.60 0.00 0.00 56.93 56.31 6fit s PHE 80 Cb -0.12 -1.65 0.11 0.00 0.51 0.00 0.00 43.02 41.87 6fit s PHE 80 CO -0.04 0.49 0.71 0.45 0.70 0.00 0.00 175.22 177.53 6fit s SER 81 N -1.84 -0.96 -0.14 1.36 0.15 -1.00 -4.97 113.70 106.30 6fit s SER 81 Ca 0.23 1.45 0.02 0.00 0.70 0.00 0.00 55.95 58.34 6fit s SER 81 Cb -0.12 1.69 -0.00 0.00 -1.71 0.00 0.00 66.02 65.88 6fit s SER 81 CO 0.14 -0.22 -0.19 -0.32 1.20 0.00 0.00 173.24 173.86 6fit s MET 82 N 2.06 3.15 -0.55 5.44 1.75 -1.26 -1.38 119.30 128.52 6fit s MET 82 Ca -0.08 -0.80 -0.15 0.00 -1.25 0.00 0.00 55.69 53.41 6fit s MET 82 Cb -0.07 -2.51 0.13 0.00 2.84 0.00 0.00 34.83 35.23 6fit s MET 82 CO -0.19 0.07 0.50 -0.65 -0.65 0.00 0.00 175.02 174.10 6fit s GLN 83 N 0.64 2.97 -0.78 4.11 -0.21 -1.26 -5.02 119.66 120.10 6fit s GLN 83 Ca -0.10 -1.75 -0.19 0.00 0.02 0.00 0.00 55.36 53.34 6fit s GLN 83 Cb -0.16 -4.27 0.12 0.00 1.00 0.00 0.00 33.01 29.70 6fit s GLN 83 CO 0.02 -1.31 0.96 0.34 -2.12 0.00 0.00 175.29 173.18 6fit s ASP 84 N 3.44 6.43 0.00 5.90 2.15 -1.26 -4.35 116.67 128.97 6fit s ASP 84 Ca 0.04 -1.70 0.00 0.00 0.43 0.00 0.00 52.55 51.32 6fit s ASP 84 Cb -0.29 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 6fit s ASP 84 CO 0.02 -1.13 0.00 0.61 -0.17 0.00 0.00 175.17 174.50 6fit n GLY 85 N 5.28 -1.27 3.40 2.66 0.00 -1.26 -4.59 105.19 109.41 6fit n GLY 85 Ca 0.09 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 6fit n GLY 85 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 6fit n PRO 86 N -1.13 -2.97 0.00 1.61 -0.02 -1.26 -1.81 135.00 129.42 6fit n PRO 86 Ca 0.00 -0.85 0.00 0.00 -2.02 0.00 0.00 63.50 60.63 6fit n PRO 86 Cb 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 6fit n PRO 86 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 6fit n GLU 87 N -4.95 0.00 -0.02 -0.52 4.71 -1.26 -4.40 120.64 114.20 6fit n GLU 87 Ca 0.04 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.97 6fit n GLU 87 Cb 0.55 -2.30 -0.13 0.00 -1.01 0.00 0.00 31.44 28.55 6fit n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 6fit h ALA 88 N 0.00 0.37 0.00 0.62 0.00 -1.60 -3.48 119.26 115.17 6fit h ALA 88 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.58 6fit h ALA 88 Cb 0.00 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.50 6fit h ALA 88 CO 0.00 1.13 0.00 0.41 0.00 0.00 0.00 179.25 180.79 6fit n GLY 89 N 1.83 -0.89 3.73 0.00 0.00 -1.17 -4.90 105.19 103.79 6fit n GLY 89 Ca -0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 6fit n GLY 89 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 6fit n GLN 90 N 0.00 1.95 0.04 1.61 7.27 -1.15 -4.93 117.38 122.18 6fit n GLN 90 Ca 0.00 0.70 -0.00 0.00 0.07 0.00 0.00 57.00 57.77 6fit n GLN 90 Cb 0.00 -2.49 -0.00 0.00 2.41 0.00 0.00 30.24 30.16 6fit n GLN 90 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 6fit n THR 91 N -0.42 1.09 -3.10 1.69 -1.04 -1.26 -4.65 114.28 106.59 6fit n THR 91 Ca 0.07 0.35 -0.39 0.00 -2.04 0.00 0.00 64.05 62.04 6fit n THR 91 Cb 0.41 -1.54 -0.05 0.00 -1.82 0.00 0.00 70.33 67.34 6fit n THR 91 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 6fit s VAL 92 N -1.90 4.96 -1.39 12.58 0.11 -1.26 -4.96 120.40 128.54 6fit s VAL 92 Ca -0.01 1.38 -0.13 0.00 -2.93 0.00 0.00 61.98 60.30 6fit s VAL 92 Cb 0.00 -4.01 0.08 0.00 -1.53 0.00 0.00 36.38 30.92 6fit s VAL 92 CO 0.01 0.33 2.07 0.29 -3.33 0.00 0.00 175.10 174.46 6fit n LYS 93 N 3.28 3.10 -3.71 1.54 5.02 -1.26 -4.86 118.16 121.27 6fit n LYS 93 Ca -0.04 -2.94 -0.11 0.00 -2.02 0.00 0.00 58.31 53.20 6fit n LYS 93 Cb 0.51 -3.21 -0.11 0.00 -0.02 0.00 0.00 35.03 32.20 6fit n LYS 93 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 6fit s HIS 94 N 2.53 -0.52 0.06 2.13 2.46 -1.25 -4.35 115.29 116.34 6fit s HIS 94 Ca 0.46 1.16 -0.33 0.00 0.47 0.00 0.00 55.06 56.82 6fit s HIS 94 Cb 0.11 0.21 -0.12 0.00 -0.13 0.00 0.00 32.58 32.65 6fit s HIS 94 CO -0.05 -0.29 1.79 0.28 -2.47 0.00 0.00 174.74 174.00 6fit n VAL 95 N 3.81 0.36 -3.76 0.89 0.31 -1.00 -4.96 118.33 113.98 6fit n VAL 95 Ca -0.20 -0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 6fit n VAL 95 Cb 0.56 -1.90 -0.13 0.00 -0.91 0.00 0.00 33.84 31.46 6fit n VAL 95 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 6fit s HIS 96 N 2.76 -0.25 -0.11 3.52 -3.43 -1.26 -3.95 115.29 112.57 6fit s HIS 96 Ca 0.85 0.62 -0.23 0.00 -0.80 0.00 0.00 55.06 55.50 6fit s HIS 96 Cb -0.60 0.02 -0.03 0.00 -1.43 0.00 0.00 32.58 30.54 6fit s HIS 96 CO 0.42 -0.17 0.68 0.08 -2.00 0.00 0.00 174.74 173.75 6fit s VAL 97 N 0.83 5.04 -0.01 -5.38 1.01 0.12 -4.46 120.40 117.54 6fit s VAL 97 Ca -0.06 1.36 -0.20 0.00 0.00 0.00 0.00 61.98 63.08 6fit s VAL 97 Cb -0.07 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 6fit s VAL 97 CO -0.05 0.20 0.57 -1.00 0.00 0.00 0.00 175.10 174.83 6fit s HIS 98 N 1.19 3.68 -0.14 5.22 3.76 -0.48 -1.70 115.29 126.82 6fit s HIS 98 Ca 0.35 1.17 0.02 0.00 -0.15 0.00 0.00 55.06 56.44 6fit s HIS 98 Cb -0.17 -2.58 0.01 0.00 1.11 0.00 0.00 32.58 30.96 6fit s HIS 98 CO 0.15 0.37 -0.19 0.08 -0.85 0.00 0.00 174.74 174.30 6fit s VAL 99 N -0.23 1.87 -0.19 -0.90 1.01 0.05 -2.36 120.40 119.65 6fit s VAL 99 Ca 0.30 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.43 6fit s VAL 99 Cb -0.18 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.56 6fit s VAL 99 CO 0.16 0.51 -0.08 -0.76 0.00 0.00 0.00 175.10 174.94 6fit s LEU 100 N 0.99 2.08 0.07 3.92 1.02 -0.36 -1.79 118.68 124.61 6fit s LEU 100 Ca -0.04 -0.84 -0.31 0.00 0.02 0.00 0.00 54.13 52.96 6fit s LEU 100 Cb -0.15 -1.12 -0.06 0.00 0.02 0.00 0.00 46.19 44.89 6fit s LEU 100 CO -0.04 -0.17 1.23 -2.84 0.02 0.00 0.00 176.35 174.55 6fit s PRO 101 N 1.48 4.42 -0.08 1.29 0.02 -1.26 -1.24 135.00 139.62 6fit s PRO 101 Ca -0.01 1.82 0.03 0.00 0.02 0.00 0.00 61.00 62.87 6fit s PRO 101 Cb -0.16 -3.33 -0.02 0.00 0.02 0.00 0.00 34.50 31.02 6fit s PRO 101 CO -0.08 -0.28 -0.19 1.03 -0.33 0.00 0.00 177.00 177.15 6fit s ARG 102 N 1.04 2.82 0.55 5.54 1.81 0.31 -4.88 118.95 126.14 6fit s ARG 102 Ca 0.60 -0.79 0.04 0.00 -1.72 0.00 0.00 55.73 53.86 6fit s ARG 102 Cb -0.31 -2.36 0.03 0.00 -0.45 0.00 0.00 34.95 31.86 6fit s ARG 102 CO 0.29 0.38 0.27 0.15 -0.68 0.00 0.00 175.30 175.72 6fit s LYS 103 N -0.13 2.23 0.88 3.54 1.02 -1.26 0.10 119.74 126.13 6fit s LYS 103 Ca -0.03 -2.19 -0.12 0.00 0.02 0.00 0.00 55.97 53.66 6fit s LYS 103 Cb -0.14 -1.89 0.12 0.00 -0.52 0.00 0.00 37.83 35.40 6fit s LYS 103 CO 0.04 -0.57 1.10 0.00 -0.92 0.00 0.00 175.35 174.99 6fit s ALA 104 N -2.83 1.71 -0.43 5.17 0.00 -1.26 -3.89 121.76 120.22 6fit s ALA 104 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 6fit s ALA 104 Cb -0.01 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.96 6fit s ALA 104 CO 0.14 -2.22 0.01 0.41 0.00 0.00 0.00 175.76 174.10 6fit n GLY 105 N -1.50 -0.05 0.29 0.00 0.00 -1.26 -4.75 105.19 97.93 6fit n GLY 105 Ca 0.07 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.25 6fit n GLY 105 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 6fit n ASP 106 N -0.56 1.59 0.00 1.61 5.75 -1.25 -5.30 116.55 118.40 6fit n ASP 106 Ca -0.09 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 6fit n ASP 106 Cb 0.19 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 40.98 6fit n ASP 106 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 6fit n PHE 107 N -0.63 0.00 -0.92 2.11 -1.74 -1.26 -5.08 117.46 109.94 6fit n PHE 107 Ca 0.07 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.85 6fit n PHE 107 Cb 0.41 0.00 0.09 0.00 1.52 0.00 0.00 39.48 41.49 6fit n PHE 107 CO 0.00 0.00 0.00 0.91 -0.56 0.00 0.00 176.76 177.11 6fit n TRP 129 N 0.00 -3.56 -3.70 2.97 5.03 -1.26 -5.17 117.44 111.75 6fit n TRP 129 Ca 0.00 -0.39 -0.13 0.00 3.03 0.00 0.00 57.50 60.01 6fit n TRP 129 Cb 0.00 -0.40 -0.07 0.00 -1.03 0.00 0.00 31.31 29.80 6fit n TRP 129 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 6fit s ARG 130 N -3.96 0.82 0.35 -0.99 0.52 -1.26 -4.87 118.95 109.55 6fit s ARG 130 Ca 0.27 -0.24 -0.28 0.00 -0.52 0.00 0.00 55.73 54.96 6fit s ARG 130 Cb -0.02 0.37 -0.11 0.00 0.52 0.00 0.00 34.95 35.71 6fit s ARG 130 CO 0.20 -0.25 1.42 -1.54 0.02 0.00 0.00 175.30 175.14 6fit s SER 131 N -1.63 6.52 0.00 0.23 1.04 -1.26 -4.83 113.70 113.76 6fit s SER 131 Ca -0.09 2.90 0.01 0.00 0.48 0.00 0.00 55.95 59.25 6fit s SER 131 Cb -0.03 -2.66 0.07 0.00 0.10 0.00 0.00 66.02 63.50 6fit s SER 131 CO 0.02 -0.74 0.67 -0.62 0.98 0.00 0.00 173.24 173.55 6fit n GLU 132 N 0.67 0.62 -0.01 4.02 -0.58 -1.26 -0.01 120.64 124.08 6fit n GLU 132 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 6fit n GLU 132 Cb 0.40 -1.03 -0.03 0.00 -0.57 0.00 0.00 31.44 30.21 6fit n GLU 132 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 6fit n GLU 133 N -0.53 1.76 0.07 3.49 2.13 -1.26 -4.08 120.64 122.22 6fit n GLU 133 Ca 0.01 -0.02 -0.22 0.00 0.66 0.00 0.00 57.16 57.58 6fit n GLU 133 Cb 0.00 -1.10 -0.15 0.00 0.27 0.00 0.00 31.44 30.46 6fit n GLU 133 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 6fit h GLU 134 N 0.00 0.38 -0.00 5.31 4.81 -1.07 -2.94 114.58 121.07 6fit h GLU 134 Ca -0.05 -0.65 0.01 0.00 -0.13 0.00 0.00 59.36 58.54 6fit h GLU 134 Cb 0.72 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 6fit h GLU 134 CO 0.00 1.31 -0.05 0.52 -0.73 0.00 0.00 179.01 180.06 6fit h MET 135 N -0.11 -0.08 -0.01 1.92 2.86 -0.68 -0.73 114.93 118.10 6fit h MET 135 Ca -0.25 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 6fit h MET 135 Cb 1.92 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.60 6fit h MET 135 CO 0.17 -0.06 0.02 0.00 1.06 0.00 0.00 176.91 178.11 6fit h ALA 136 N 0.91 1.18 0.11 6.32 0.00 -1.71 -1.69 119.26 124.38 6fit h ALA 136 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 6fit h ALA 136 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 6fit h ALA 136 CO -0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.12 6fit h ALA 137 N 1.96 -0.15 -0.54 0.00 0.00 -0.99 -2.64 119.26 116.90 6fit h ALA 137 Ca 0.00 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.96 6fit h ALA 137 Cb 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 6fit h ALA 137 CO -0.00 -0.15 0.57 1.49 0.00 0.00 0.00 179.25 181.16 6fit h GLU 138 N -1.02 0.00 0.16 0.00 4.81 -0.40 -0.11 114.58 118.02 6fit h GLU 138 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 6fit h GLU 138 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 6fit h GLU 138 CO 0.02 0.00 -0.08 0.00 -0.73 0.00 0.00 179.01 178.23 6fit h ALA 139 N 1.37 -0.25 -0.98 2.92 0.00 -1.39 -2.70 119.26 118.22 6fit h ALA 139 Ca 0.25 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.35 6fit h ALA 139 Cb 1.39 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 6fit h ALA 139 CO -0.00 -0.23 0.64 0.00 0.00 0.00 0.00 179.25 179.65 6fit h ALA 140 N -1.25 2.23 -0.26 0.00 0.00 -0.93 0.70 119.26 119.76 6fit h ALA 140 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 6fit h ALA 140 Cb 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 6fit h ALA 140 CO 0.04 -0.58 0.15 0.00 0.00 0.00 0.00 179.25 178.86 6fit h ALA 141 N 1.61 0.32 -0.29 0.00 0.00 -1.12 -2.62 119.26 117.17 6fit h ALA 141 Ca 0.53 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.27 6fit h ALA 141 Cb 1.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 6fit h ALA 141 CO -0.23 -0.23 -0.50 -0.07 0.00 0.00 0.00 179.25 178.22 6fit h LEU 142 N 0.32 0.88 -1.90 0.00 3.38 0.41 -2.94 115.31 115.46 6fit h LEU 142 Ca 0.10 -0.45 0.18 0.00 0.09 0.00 0.00 57.88 57.81 6fit h LEU 142 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 6fit h LEU 142 CO -0.04 1.22 0.59 -0.09 0.09 0.00 0.00 178.44 180.20 6fit h ARG 143 N 0.63 0.00 -0.27 1.13 2.43 0.46 -0.15 114.38 118.60 6fit h ARG 143 Ca 0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 6fit h ARG 143 Cb 1.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 6fit h ARG 143 CO 0.11 0.00 0.04 0.28 -1.51 0.00 0.00 179.97 178.89 6fit h VAL 144 N 0.00 1.15 0.00 0.20 2.07 -1.32 -2.84 116.25 115.50 6fit h VAL 144 Ca 0.30 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.28 6fit h VAL 144 Cb 1.47 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 6fit h VAL 144 CO -0.00 0.19 0.00 1.88 0.02 0.00 0.00 177.57 179.66 6fit h TYR 145 N 0.39 0.00 0.00 1.57 -1.99 -1.21 -3.15 116.97 112.58 6fit h TYR 145 Ca 0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 6fit h TYR 145 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.93 6fit h TYR 145 CO 0.01 0.00 -0.89 1.19 -0.00 0.00 0.00 178.16 178.46 6fit n PHE 146 N -2.98 0.14 0.00 4.88 3.72 -1.08 -5.12 117.46 117.02 6fit n PHE 146 Ca 0.02 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 6fit n PHE 146 Cb 0.37 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 6fit n PHE 146 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75