#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7b s SER 3 N 0.00 6.26 0.32 4.31 1.04 -1.26 -5.08 113.70 119.29 3f7b s SER 3 Ca 0.00 0.09 0.09 0.00 0.48 0.00 0.00 55.95 56.61 3f7b s SER 3 Cb 0.00 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 3f7b s SER 3 CO 0.00 -0.01 0.10 -1.00 0.98 0.00 0.00 173.24 173.31 3f7b s HIS 4 N -1.87 2.72 0.59 5.02 0.09 -1.26 -4.70 115.29 115.87 3f7b s HIS 4 Ca 0.34 -0.33 -0.19 0.00 -0.00 0.00 0.00 55.06 54.88 3f7b s HIS 4 Cb -0.10 -1.51 -0.04 0.00 -0.00 0.00 0.00 32.58 30.93 3f7b s HIS 4 CO 0.28 0.42 1.18 1.67 -0.00 0.00 0.00 174.74 178.30 3f7b s TRP 5 N -2.39 2.47 0.19 1.40 1.48 -1.26 -0.91 118.94 119.91 3f7b s TRP 5 Ca 0.36 1.53 -0.12 0.00 -1.06 0.00 0.00 56.10 56.80 3f7b s TRP 5 Cb -0.04 -3.41 0.00 0.00 -1.16 0.00 0.00 33.47 28.87 3f7b s TRP 5 CO 0.22 -2.02 0.40 0.00 -4.06 0.00 0.00 176.95 171.49 3f7b s TYR 7 N -3.95 3.48 0.25 0.00 2.02 -1.26 -3.72 117.35 114.17 3f7b s TYR 7 Ca 0.16 0.75 -0.03 0.00 -0.37 0.00 0.00 57.07 57.57 3f7b s TYR 7 Cb 0.01 -2.40 0.42 0.00 -0.40 0.00 0.00 41.96 39.59 3f7b s TYR 7 CO 0.01 -0.41 1.82 1.49 -1.57 0.00 0.00 175.55 176.89 3f7b h GLU 8 N 0.14 0.82 0.00 -0.62 4.57 -1.89 0.32 114.58 117.92 3f7b h GLU 8 Ca -0.47 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.63 3f7b h GLU 8 Cb 1.22 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.62 3f7b h GLU 8 CO 0.61 0.54 -0.16 -0.24 -1.18 0.00 0.00 179.01 178.59 3f7b h VAL 9 N 0.85 0.86 0.05 0.32 3.04 -1.92 -1.80 116.25 117.66 3f7b h VAL 9 Ca 0.42 -0.59 -0.24 0.00 -1.01 0.00 0.00 66.70 65.28 3f7b h VAL 9 Cb 0.37 1.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 3f7b h VAL 9 CO -0.25 0.15 -1.10 0.06 -1.01 0.00 0.00 177.57 175.42 3f7b h GLN 10 N 0.00 0.12 -0.46 4.17 3.07 -1.30 -3.09 115.11 117.62 3f7b h GLN 10 Ca -0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 58.65 58.49 3f7b h GLN 10 Cb 0.33 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.94 3f7b h GLN 10 CO 0.02 1.09 0.09 0.00 0.09 0.00 0.00 178.83 180.12 3f7b h ALA 11 N 0.82 1.30 0.00 0.06 0.00 -1.36 -3.19 119.26 116.89 3f7b h ALA 11 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3f7b h ALA 11 Cb 1.86 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3f7b h ALA 11 CO 0.16 0.49 0.00 0.39 0.00 0.00 0.00 179.25 180.29 3f7b n GLU 11 N -4.29 0.70 0.00 0.00 1.02 -0.73 -4.82 120.64 112.52 3f7b n GLU 11 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3f7b n GLU 11 Cb 0.22 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 3f7b n GLU 11 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3f7b n SER 11 N 0.69 0.00 0.11 1.62 3.41 -1.21 -5.10 113.62 113.13 3f7b n SER 11 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 3f7b n SER 11 Cb 0.35 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.47 3f7b n SER 11 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3f7b h ASN 11 N 0.00 0.00 -1.57 4.04 7.08 -1.89 -3.46 115.58 119.78 3f7b h ASN 11 Ca 0.00 -0.09 -0.66 0.00 -3.08 0.00 0.00 56.30 52.47 3f7b h ASN 11 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 3f7b h ASN 11 CO 0.00 0.04 1.22 0.00 -2.08 0.00 0.00 177.43 176.61 3f7b n TYR 11 N -2.44 1.97 -2.16 4.14 -0.00 -1.26 -4.92 117.16 112.49 3f7b n TYR 11 Ca 0.03 0.19 -0.42 0.00 -0.00 0.00 0.00 57.90 57.70 3f7b n TYR 11 Cb 0.48 -2.58 -0.03 0.00 -0.00 0.00 0.00 39.34 37.21 3f7b n TYR 11 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 3f7b s PRO 11 N 5.00 4.32 0.07 -3.48 0.04 -1.26 -4.75 135.00 134.95 3f7b s PRO 11 Ca 1.01 2.08 -0.14 0.00 0.04 0.00 0.00 61.00 64.00 3f7b s PRO 11 Cb -0.80 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 30.52 3f7b s PRO 11 CO 0.52 -0.43 0.31 0.00 0.04 0.00 0.00 177.00 177.44 3f7b s LEU 11 N -2.36 3.61 1.01 0.00 1.43 -0.09 -4.84 118.68 117.44 3f7b s LEU 11 Ca -0.02 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 3f7b s LEU 11 Cb 0.01 -2.73 0.20 0.00 0.03 0.00 0.00 46.19 43.69 3f7b s LEU 11 CO -0.06 -1.58 1.10 0.68 0.23 0.00 0.00 176.35 176.72 3f7b s VAL 12 N 4.95 2.10 0.41 -1.59 -7.23 -1.26 -1.23 120.40 116.54 3f7b s VAL 12 Ca 0.34 0.03 0.13 0.00 -1.81 0.00 0.00 61.98 60.67 3f7b s VAL 12 Cb -0.10 -2.09 0.34 0.00 0.56 0.00 0.00 36.38 35.08 3f7b s VAL 12 CO 0.17 -0.04 1.92 -0.65 -0.31 0.00 0.00 175.10 176.19 3f7b h PRO 13 N -2.14 0.49 0.00 4.82 0.11 -1.91 0.14 132.00 133.51 3f7b h PRO 13 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3f7b h PRO 13 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3f7b h PRO 13 CO 0.45 0.33 0.00 -0.39 -0.21 0.00 0.00 178.00 178.18 3f7b h VAL 14 N 0.51 0.00 -0.14 3.15 -1.51 -1.94 -2.26 116.25 114.05 3f7b h VAL 14 Ca 0.37 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 3f7b h VAL 14 Cb 0.72 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 3f7b h VAL 14 CO -0.13 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.50 3f7b n LYS 15 N -2.87 2.59 -1.66 5.19 5.02 0.44 -5.03 118.16 121.84 3f7b n LYS 15 Ca -0.02 -1.65 -0.44 0.00 -2.02 0.00 0.00 58.31 54.19 3f7b n LYS 15 Cb 0.11 -1.12 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 3f7b n LYS 15 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3f7b n TRP 16 N -0.00 1.93 -0.01 2.13 8.01 -0.85 -4.85 117.44 123.80 3f7b n TRP 16 Ca 0.05 0.58 0.00 0.00 -1.31 0.00 0.00 57.50 56.82 3f7b n TRP 16 Cb 0.31 -2.37 0.00 0.00 -2.01 0.00 0.00 31.31 27.24 3f7b n TRP 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3f7b n GLY 20 N 1.18 0.91 7.00 6.99 0.00 -1.26 -4.52 105.19 115.49 3f7b n GLY 20 Ca 0.08 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3f7b n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7b n GLY 21 N 5.00 2.22 0.80 -0.02 0.00 -1.26 -2.27 105.19 109.66 3f7b n GLY 21 Ca 0.00 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.72 3f7b n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f7b n ASN 22 N -0.50 2.36 0.23 1.61 3.02 0.08 -4.53 115.26 117.53 3f7b n ASN 22 Ca 0.00 -1.93 0.16 0.00 -0.03 0.00 0.00 54.58 52.78 3f7b n ASN 22 Cb 0.00 -0.25 0.75 0.00 -0.61 0.00 0.00 39.78 39.67 3f7b n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f7b n GLN 24 N -2.70 2.47 -0.04 0.00 1.13 -1.26 -4.98 117.38 112.00 3f7b n GLN 24 Ca -0.00 -2.24 0.00 0.00 -1.94 0.00 0.00 57.00 52.81 3f7b n GLN 24 Cb 0.17 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.01 3f7b n GLN 24 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3f7b n LYS 25 N 1.40 1.06 0.00 -1.09 5.02 -0.44 -5.04 118.16 119.07 3f7b n LYS 25 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 3f7b n LYS 25 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 3f7b n LYS 25 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3f7b n ASP 26 N -0.67 1.53 -2.70 4.39 8.00 -1.26 -4.51 116.55 121.32 3f7b n ASP 26 Ca 0.00 -1.62 -0.26 0.00 0.71 0.00 0.00 54.79 53.62 3f7b n ASP 26 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3f7b n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3f7b n ARG 27 N -0.31 3.21 -3.04 -1.24 1.74 -1.26 -4.74 116.66 111.02 3f7b n ARG 27 Ca 0.00 -4.59 -0.25 0.00 -0.77 0.00 0.00 57.85 52.24 3f7b n ARG 27 Cb 0.20 -2.20 -0.00 0.00 -1.02 0.00 0.00 32.46 29.44 3f7b n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3f7b s GLN 28 N -3.47 3.40 0.16 5.56 -1.52 -1.26 -3.15 119.66 119.38 3f7b s GLN 28 Ca 0.48 -0.19 0.05 0.00 -1.95 0.00 0.00 55.36 53.75 3f7b s GLN 28 Cb 0.35 -2.54 -0.04 0.00 -0.22 0.00 0.00 33.01 30.56 3f7b s GLN 28 CO -0.16 -0.07 -0.10 -1.12 -0.25 0.00 0.00 175.29 173.59 3f7b s SER 29 N -4.10 1.89 0.87 5.90 0.01 -1.26 -4.59 113.70 112.42 3f7b s SER 29 Ca 0.44 -1.02 -0.11 0.00 1.31 0.00 0.00 55.95 56.57 3f7b s SER 29 Cb -0.10 -0.03 0.17 0.00 0.21 0.00 0.00 66.02 66.27 3f7b s SER 29 CO 0.39 -0.32 1.20 -2.16 0.41 0.00 0.00 173.24 172.77 3f7b s PRO 30 N -3.74 1.07 0.15 12.44 0.04 -1.26 -4.55 135.00 139.15 3f7b s PRO 30 Ca 0.18 -0.60 -0.00 0.00 0.04 0.00 0.00 61.00 60.62 3f7b s PRO 30 Cb 0.02 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3f7b s PRO 30 CO 0.02 -2.04 0.04 0.96 0.04 0.00 0.00 177.00 176.02 3f7b s ILE 31 N -3.62 0.28 0.02 0.56 -4.36 -1.26 0.32 121.20 113.13 3f7b s ILE 31 Ca 0.71 -1.93 -0.25 0.00 -0.26 0.00 0.00 60.65 58.91 3f7b s ILE 31 Cb -0.05 -2.08 -0.05 0.00 1.25 0.00 0.00 42.46 41.53 3f7b s ILE 31 CO 0.50 -0.46 0.78 0.21 0.24 0.00 0.00 174.94 176.21 3f7b s ASN 32 N -3.09 7.19 -0.36 4.36 2.47 -1.26 -2.70 114.94 121.55 3f7b s ASN 32 Ca 0.24 1.43 -0.06 0.00 0.42 0.00 0.00 52.86 54.89 3f7b s ASN 32 Cb 0.07 -2.47 0.06 0.00 -1.45 0.00 0.00 41.25 37.46 3f7b s ASN 32 CO 0.03 -0.04 0.14 -0.63 -3.72 0.00 0.00 177.10 172.88 3f7b s ILE 33 N 0.21 3.78 -0.65 -5.21 1.01 -0.55 -4.97 121.20 114.81 3f7b s ILE 33 Ca 0.40 -1.31 -0.28 0.00 0.00 0.00 0.00 60.65 59.46 3f7b s ILE 33 Cb -0.20 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.07 3f7b s ILE 33 CO 0.23 -0.31 1.26 -0.69 0.00 0.00 0.00 174.94 175.43 3f7b s VAL 34 N 1.37 3.86 0.40 2.92 1.01 -1.26 -0.94 120.40 127.75 3f7b s VAL 34 Ca 0.00 0.66 0.07 0.00 0.00 0.00 0.00 61.98 62.72 3f7b s VAL 34 Cb -0.21 -4.78 0.23 0.00 0.00 0.00 0.00 36.38 31.63 3f7b s VAL 34 CO 0.02 -1.55 2.01 0.71 0.00 0.00 0.00 175.10 176.29 3f7b h THR 35 N 6.13 1.13 0.00 3.92 1.35 -1.95 -1.06 112.91 122.42 3f7b h THR 35 Ca -0.26 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3f7b h THR 35 Cb 1.06 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3f7b h THR 35 CO 1.23 0.15 0.00 0.71 -0.25 0.00 0.00 175.52 177.35 3f7b h THR 36 N 0.47 0.00 -0.06 6.82 1.35 -2.02 -2.04 112.91 117.42 3f7b h THR 36 Ca 0.12 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3f7b h THR 36 Cb 0.07 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3f7b h THR 36 CO -0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.55 3f7b n LYS 37 N -2.69 1.95 -3.19 4.72 5.02 -0.41 -4.79 118.16 118.77 3f7b n LYS 37 Ca 0.02 -1.39 -0.41 0.00 -2.02 0.00 0.00 58.31 54.51 3f7b n LYS 37 Cb 0.33 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.80 3f7b n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f7b s ALA 38 N -1.94 3.50 0.29 7.82 0.00 -0.77 -4.79 121.76 125.86 3f7b s ALA 38 Ca 0.34 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 51.26 3f7b s ALA 38 Cb 0.20 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 20.19 3f7b s ALA 38 CO 0.31 -1.16 0.77 0.15 0.00 0.00 0.00 175.76 175.84 3f7b s LYS 39 N 2.49 4.18 0.26 0.00 1.02 -1.22 -4.60 119.74 121.87 3f7b s LYS 39 Ca 0.21 0.85 -0.30 0.00 0.02 0.00 0.00 55.97 56.76 3f7b s LYS 39 Cb -0.15 -2.63 -0.09 0.00 -0.52 0.00 0.00 37.83 34.43 3f7b s LYS 39 CO 0.13 0.25 1.29 0.08 -0.92 0.00 0.00 175.35 176.18 3f7b s VAL 40 N -1.77 3.04 -0.10 3.17 1.01 -1.26 -1.56 120.40 122.92 3f7b s VAL 40 Ca 0.50 0.94 0.01 0.00 0.00 0.00 0.00 61.98 63.43 3f7b s VAL 40 Cb -0.14 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3f7b s VAL 40 CO 0.19 0.18 -0.11 -0.62 0.00 0.00 0.00 175.10 174.74 3f7b s ASP 41 N -0.11 2.16 0.00 3.32 -1.08 -0.64 -4.85 116.67 115.46 3f7b s ASP 41 Ca 0.52 -0.35 0.26 0.00 -0.52 0.00 0.00 52.55 52.47 3f7b s ASP 41 Cb -0.37 -0.92 1.12 0.00 -1.46 0.00 0.00 42.92 41.28 3f7b s ASP 41 CO 0.44 -0.04 1.83 0.29 0.52 0.00 0.00 175.17 178.21 3f7b n LYS 42 N 4.44 0.01 0.21 4.34 5.02 -1.26 -2.12 118.16 128.81 3f7b n LYS 42 Ca -0.17 0.05 0.15 0.00 -2.02 0.00 0.00 58.31 56.32 3f7b n LYS 42 Cb 0.51 -1.50 0.76 0.00 -0.02 0.00 0.00 35.03 34.77 3f7b n LYS 42 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3f7b h LYS 43 N 0.00 0.00 -5.05 1.97 6.56 -1.96 -3.39 116.57 114.70 3f7b h LYS 43 Ca 0.00 0.00 -0.70 0.00 -1.06 0.00 0.00 60.65 58.89 3f7b h LYS 43 Cb 0.44 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 31.93 3f7b h LYS 43 CO 0.00 0.00 1.05 -0.51 -2.06 0.00 0.00 179.45 177.93 3f7b s LEU 44 N -5.07 4.92 0.00 2.94 1.43 -0.90 -3.90 118.68 118.10 3f7b s LEU 44 Ca -0.02 -2.26 -0.03 0.00 -1.03 0.00 0.00 54.13 50.79 3f7b s LEU 44 Cb 0.09 -2.42 0.14 0.00 0.03 0.00 0.00 46.19 44.03 3f7b s LEU 44 CO 0.31 -1.01 0.95 0.61 0.23 0.00 0.00 176.35 177.43 3f7b n GLY 45 N 5.23 0.26 3.74 -3.19 0.00 -1.26 -4.73 105.19 105.24 3f7b n GLY 45 Ca 0.29 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 3f7b n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3f7b s ARG 46 N -4.97 2.69 0.42 1.61 1.70 -1.26 -2.88 118.95 116.27 3f7b s ARG 46 Ca 0.61 2.04 -0.23 0.00 -0.47 0.00 0.00 55.73 57.68 3f7b s ARG 46 Cb -0.03 -1.90 -0.09 0.00 -0.57 0.00 0.00 34.95 32.35 3f7b s ARG 46 CO 0.41 -1.48 1.03 -0.06 -1.08 0.00 0.00 175.30 174.12 3f7b s PHE 47 N -1.42 3.22 0.02 5.89 0.40 -1.26 -1.66 117.98 123.17 3f7b s PHE 47 Ca 0.81 1.63 0.07 0.00 -0.60 0.00 0.00 56.93 58.83 3f7b s PHE 47 Cb -0.37 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.06 3f7b s PHE 47 CO 0.39 -0.59 -0.19 -0.06 0.70 0.00 0.00 175.22 175.47 3f7b s PHE 48 N -1.79 2.54 0.12 0.36 0.08 0.18 -4.90 117.98 114.56 3f7b s PHE 48 Ca 0.60 -0.27 0.10 0.00 0.12 0.00 0.00 56.93 57.48 3f7b s PHE 48 Cb -0.19 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3f7b s PHE 48 CO 0.24 0.20 -0.23 -0.06 -0.10 0.00 0.00 175.22 175.27 3f7b s PHE 49 N -0.85 2.41 -0.13 0.36 0.08 -1.26 -1.61 117.98 116.98 3f7b s PHE 49 Ca 0.13 -0.33 -0.13 0.00 0.12 0.00 0.00 56.93 56.72 3f7b s PHE 49 Cb -0.10 -1.29 0.04 0.00 -0.57 0.00 0.00 43.02 41.09 3f7b s PHE 49 CO 0.04 0.36 0.37 -1.54 -0.10 0.00 0.00 175.22 174.34 3f7b s SER 50 N -2.08 -0.37 0.00 1.36 1.04 0.32 -4.79 113.70 109.17 3f7b s SER 50 Ca 0.16 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.29 3f7b s SER 50 Cb -0.10 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3f7b s SER 50 CO 0.08 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.76 3f7b n GLY 50 N 2.77 0.63 0.14 7.32 0.00 -1.26 -0.89 105.19 113.89 3f7b n GLY 50 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 3f7b n GLY 50 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3f7b h TYR 51 N 0.00 0.00 0.00 1.61 -1.99 -1.86 -3.06 116.97 111.66 3f7b h TYR 51 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3f7b h TYR 51 Cb 0.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.75 3f7b h TYR 51 CO 0.01 0.61 0.00 0.38 -0.00 0.00 0.00 178.16 179.17 3f7b h ASP 52 N 0.00 0.00 -3.18 3.88 2.03 -1.94 -0.71 116.42 116.51 3f7b h ASP 52 Ca -0.01 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.74 3f7b h ASP 52 Cb 1.12 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.59 3f7b h ASP 52 CO 0.08 0.00 0.62 -0.75 -1.03 0.00 0.00 179.24 178.16 3f7b s LYS 53 N -3.30 4.39 -0.01 4.15 2.20 -1.16 -4.87 119.74 121.14 3f7b s LYS 53 Ca 0.06 1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 56.92 3f7b s LYS 53 Cb 0.06 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 3f7b s LYS 53 CO 0.64 -0.36 1.27 0.15 -0.36 0.00 0.00 175.35 176.68 3f7b s LYS 54 N 2.01 4.35 0.18 4.03 -0.14 -1.26 -4.32 119.74 124.59 3f7b s LYS 54 Ca 0.53 1.79 -0.00 0.00 -1.36 0.00 0.00 55.97 56.93 3f7b s LYS 54 Cb -0.22 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.38 3f7b s LYS 54 CO 0.21 -0.44 0.08 -1.14 -0.76 0.00 0.00 175.35 173.29 3f7b s GLN 55 N 1.99 1.13 -0.29 1.68 0.74 0.14 -4.78 119.66 120.27 3f7b s GLN 55 Ca 0.59 -1.57 -0.07 0.00 0.05 0.00 0.00 55.36 54.35 3f7b s GLN 55 Cb -0.28 0.08 0.00 0.00 1.10 0.00 0.00 33.01 33.91 3f7b s GLN 55 CO 0.25 -0.29 0.09 0.95 -0.55 0.00 0.00 175.29 175.75 3f7b s THR 56 N -3.97 4.13 0.03 -0.34 -4.23 -1.26 0.26 115.64 110.26 3f7b s THR 56 Ca 0.31 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 60.26 3f7b s THR 56 Cb 0.07 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 3f7b s THR 56 CO 0.08 0.11 0.10 0.26 -0.54 0.00 0.00 174.62 174.62 3f7b s TRP 57 N 1.54 3.28 0.18 3.99 0.52 -1.25 -4.84 118.94 122.36 3f7b s TRP 57 Ca 0.03 0.17 -0.30 0.00 0.02 0.00 0.00 56.10 56.02 3f7b s TRP 57 Cb -0.17 -1.70 -0.08 0.00 -1.15 0.00 0.00 33.47 30.37 3f7b s TRP 57 CO 0.03 0.55 1.22 0.99 0.02 0.00 0.00 176.95 179.76 3f7b s THR 58 N -1.30 3.52 -0.00 2.01 2.01 -1.26 -0.95 115.64 119.66 3f7b s THR 58 Ca 0.27 1.26 0.03 0.00 0.31 0.00 0.00 61.69 63.56 3f7b s THR 58 Cb -0.12 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 3f7b s THR 58 CO 0.18 0.20 -0.10 0.54 -0.69 0.00 0.00 174.62 174.75 3f7b s VAL 59 N 0.02 0.80 0.05 3.82 0.11 -0.48 -1.11 120.40 123.61 3f7b s VAL 59 Ca 0.54 -0.47 -0.02 0.00 -2.93 0.00 0.00 61.98 59.09 3f7b s VAL 59 Cb -0.33 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 3f7b s VAL 59 CO 0.37 0.19 0.00 0.00 -3.33 0.00 0.00 175.10 172.33 3f7b s GLN 60 N -0.32 0.63 -0.36 1.54 -2.07 -0.06 -1.09 119.66 117.92 3f7b s GLN 60 Ca 0.03 -1.16 -0.12 0.00 -1.82 0.00 0.00 55.36 52.29 3f7b s GLN 60 Cb -0.04 0.23 0.01 0.00 -1.09 0.00 0.00 33.01 32.11 3f7b s GLN 60 CO -0.00 -0.13 0.23 1.21 -1.32 0.00 0.00 175.29 175.28 3f7b s ASN 61 N -2.86 5.87 -0.19 12.60 3.84 -0.32 -0.45 114.94 133.44 3f7b s ASN 61 Ca 0.06 -0.75 0.16 0.00 0.21 0.00 0.00 52.86 52.54 3f7b s ASN 61 Cb 0.07 -2.08 0.78 0.00 -0.55 0.00 0.00 41.25 39.46 3f7b s ASN 61 CO -0.10 -0.33 1.70 -0.46 -2.79 0.00 0.00 177.10 175.12 3f7b n ASN 62 N 5.06 5.32 0.00 -4.21 0.23 -1.16 0.13 115.26 120.63 3f7b n ASN 62 Ca -0.12 -2.74 0.00 0.00 -0.53 0.00 0.00 54.58 51.19 3f7b n ASN 62 Cb 0.48 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 3f7b n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f7b n GLY 63 N 0.80 2.70 0.00 4.83 0.00 -1.26 -4.74 105.19 107.52 3f7b n GLY 63 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3f7b n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3f7b n HIS 64 N -2.00 0.00 -3.88 1.61 8.25 -1.26 -4.80 115.22 113.14 3f7b n HIS 64 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3f7b n HIS 64 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 3f7b n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3f7b s SER 65 N -1.98 0.01 -0.17 0.41 0.15 -1.26 -4.84 113.70 106.02 3f7b s SER 65 Ca 0.00 -0.71 -0.07 0.00 0.70 0.00 0.00 55.95 55.87 3f7b s SER 65 Cb 0.00 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 3f7b s SER 65 CO 0.00 -1.04 0.07 0.54 1.20 0.00 0.00 173.24 174.01 3f7b s VAL 66 N -2.16 4.85 -0.08 4.45 0.11 -1.26 -2.97 120.40 123.35 3f7b s VAL 66 Ca 0.22 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 3f7b s VAL 66 Cb -0.03 -3.16 0.01 0.00 -1.53 0.00 0.00 36.38 31.67 3f7b s VAL 66 CO 0.06 0.49 -0.13 -0.32 -3.33 0.00 0.00 175.10 171.87 3f7b s MET 67 N 0.07 1.83 -0.15 1.54 0.00 0.40 -3.44 119.30 119.55 3f7b s MET 67 Ca 0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 55.69 55.22 3f7b s MET 67 Cb -0.12 -1.55 -0.04 0.00 0.00 0.00 0.00 34.83 33.12 3f7b s MET 67 CO 0.01 -0.02 0.14 0.00 0.00 0.00 0.00 175.02 175.15 3f7b s MET 68 N 0.82 3.77 -0.25 4.11 0.23 0.41 -0.88 119.30 127.51 3f7b s MET 68 Ca -0.11 -0.16 -0.15 0.00 -1.03 0.00 0.00 55.69 54.23 3f7b s MET 68 Cb -0.15 -3.29 -0.04 0.00 -1.53 0.00 0.00 34.83 29.82 3f7b s MET 68 CO 0.02 0.57 0.39 -0.51 -2.03 0.00 0.00 175.02 173.45 3f7b s LEU 69 N -0.42 4.07 0.01 0.18 1.43 -0.27 -1.03 118.68 122.65 3f7b s LEU 69 Ca 0.12 0.36 0.22 0.00 -1.03 0.00 0.00 54.13 53.80 3f7b s LEU 69 Cb -0.12 -2.46 -0.23 0.00 0.03 0.00 0.00 46.19 43.41 3f7b s LEU 69 CO 0.02 -0.16 0.70 0.18 0.23 0.00 0.00 176.35 177.31 3f7b n LEU 70 N 5.13 0.37 -3.05 1.79 4.77 -0.17 -4.53 117.00 121.31 3f7b n LEU 70 Ca -0.08 -0.08 -0.22 0.00 -0.03 0.00 0.00 56.01 55.60 3f7b n LEU 70 Cb 0.51 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 3f7b n LEU 70 CO 0.38 0.04 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.82 3f7b n GLU 71 N -2.09 -3.89 -1.69 3.23 1.02 -1.21 -0.05 120.64 115.95 3f7b n GLU 71 Ca -0.01 0.73 -0.18 0.00 -0.02 0.00 0.00 57.16 57.67 3f7b n GLU 71 Cb 0.50 -5.50 -0.06 0.00 -0.02 0.00 0.00 31.44 26.36 3f7b n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3f7b n ASN 72 N -2.34 -5.22 -0.25 1.62 3.02 -0.64 -4.82 115.26 106.63 3f7b n ASN 72 Ca -0.09 0.36 0.15 0.00 -0.03 0.00 0.00 54.58 54.97 3f7b n ASN 72 Cb 0.60 -4.33 0.71 0.00 -0.61 0.00 0.00 39.78 36.15 3f7b n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3f7b n LYS 76 N -2.53 1.35 -4.08 3.52 5.02 0.93 -4.80 118.16 117.57 3f7b n LYS 76 Ca -0.19 -0.51 -0.11 0.00 -2.02 0.00 0.00 58.31 55.49 3f7b n LYS 76 Cb 0.61 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 34.07 3f7b n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f7b s ALA 77 N -1.99 0.35 0.15 7.82 0.00 -1.26 -4.58 121.76 122.25 3f7b s ALA 77 Ca 0.42 -1.23 -0.21 0.00 0.00 0.00 0.00 51.96 50.94 3f7b s ALA 77 Cb 0.21 1.20 0.06 0.00 0.00 0.00 0.00 23.12 24.59 3f7b s ALA 77 CO 0.34 -0.75 0.54 -1.54 0.00 0.00 0.00 175.76 174.35 3f7b s SER 78 N -3.09 -0.47 0.13 0.00 1.04 -0.07 0.00 113.70 111.24 3f7b s SER 78 Ca 0.29 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.66 3f7b s SER 78 Cb 0.02 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 3f7b s SER 78 CO 0.11 -0.93 -0.07 0.27 0.98 0.00 0.00 173.24 173.60 3f7b s ILE 79 N -3.76 0.83 0.18 -1.02 -4.36 -0.49 -0.52 121.20 112.07 3f7b s ILE 79 Ca 0.02 -1.98 -0.04 0.00 -0.26 0.00 0.00 60.65 58.39 3f7b s ILE 79 Cb -0.00 -1.81 0.02 0.00 1.25 0.00 0.00 42.46 41.92 3f7b s ILE 79 CO -0.13 -0.77 0.31 -1.54 0.24 0.00 0.00 174.94 173.05 3f7b n SER 80 N -0.12 -0.87 0.00 4.36 3.41 -0.63 -0.80 113.62 118.96 3f7b n SER 80 Ca -0.11 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 3f7b n SER 80 Cb 0.61 1.53 0.00 0.00 -0.26 0.00 0.00 64.21 66.09 3f7b n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f7b n GLY 81 N -0.27 0.33 2.39 5.00 0.00 -1.26 -0.65 105.19 110.73 3f7b n GLY 81 Ca -0.02 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 3f7b n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7b n GLY 82 N 0.00 -0.30 3.08 -0.02 0.00 -0.66 -0.74 105.19 106.56 3f7b n GLY 82 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3f7b n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7b n GLY 83 N -0.99 0.47 3.80 -0.02 0.00 -1.25 -4.70 105.19 102.50 3f7b n GLY 83 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3f7b n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f7b s LEU 84 N 0.00 4.10 0.00 0.99 1.43 0.08 -4.96 118.68 120.32 3f7b s LEU 84 Ca 0.00 1.81 0.22 0.00 -1.03 0.00 0.00 54.13 55.13 3f7b s LEU 84 Cb 0.00 -4.31 0.98 0.00 0.03 0.00 0.00 46.19 42.90 3f7b s LEU 84 CO 0.00 -0.31 1.70 -0.81 0.23 0.00 0.00 176.35 177.16 3f7b n PRO 85 N -0.16 0.09 -3.78 1.29 -0.04 -1.26 -4.51 135.00 126.63 3f7b n PRO 85 Ca 0.05 0.11 -0.04 0.00 -0.04 0.00 0.00 63.50 63.59 3f7b n PRO 85 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 3f7b n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f7b s ALA 86 N -2.88 -1.60 0.48 0.55 0.00 -1.26 -4.98 121.76 112.06 3f7b s ALA 86 Ca 0.14 0.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.88 3f7b s ALA 86 Cb 0.14 0.66 -0.07 0.00 0.00 0.00 0.00 23.12 23.86 3f7b s ALA 86 CO 0.38 -1.05 1.16 -2.14 0.00 0.00 0.00 175.76 174.12 3f7b s PRO 87 N -3.09 3.67 -0.07 0.00 0.02 -1.26 -4.69 135.00 129.58 3f7b s PRO 87 Ca 0.14 1.76 0.04 0.00 0.02 0.00 0.00 61.00 62.96 3f7b s PRO 87 Cb -0.02 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.17 3f7b s PRO 87 CO 0.03 -0.62 -0.19 0.71 -0.33 0.00 0.00 177.00 176.60 3f7b s TYR 88 N -1.58 2.01 -0.01 6.54 1.51 0.02 -0.20 117.35 125.64 3f7b s TYR 88 Ca 0.65 -0.73 -0.19 0.00 -1.01 0.00 0.00 57.07 55.79 3f7b s TYR 88 Cb -0.28 -1.37 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 3f7b s TYR 88 CO 0.34 -0.30 0.55 -0.65 -1.11 0.00 0.00 175.55 174.38 3f7b s GLN 89 N 0.32 4.26 0.03 -0.62 -0.21 -0.16 -1.39 119.66 121.90 3f7b s GLN 89 Ca -0.13 0.66 -0.30 0.00 0.02 0.00 0.00 55.36 55.61 3f7b s GLN 89 Cb -0.15 -3.33 -0.05 0.00 1.00 0.00 0.00 33.01 30.47 3f7b s GLN 89 CO 0.05 0.40 1.21 0.00 -2.12 0.00 0.00 175.29 174.83 3f7b s ALA 90 N -0.25 3.43 -0.21 6.09 0.00 0.10 -0.79 121.76 130.13 3f7b s ALA 90 Ca 0.29 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 52.98 3f7b s ALA 90 Cb -0.18 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.36 3f7b s ALA 90 CO 0.16 -0.55 -0.24 1.63 0.00 0.00 0.00 175.76 176.76 3f7b n LYS 91 N 4.36 0.47 -3.46 0.00 4.76 0.13 -1.62 118.16 122.80 3f7b n LYS 91 Ca 0.10 0.17 -0.11 0.00 -2.87 0.00 0.00 58.31 55.59 3f7b n LYS 91 Cb 0.46 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.32 3f7b n LYS 91 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3f7b s GLN 92 N -2.39 1.10 -0.02 1.97 1.03 -1.16 -1.00 119.66 119.19 3f7b s GLN 92 Ca -0.29 -0.36 0.03 0.00 0.04 0.00 0.00 55.36 54.78 3f7b s GLN 92 Cb 0.10 0.51 -0.00 0.00 0.03 0.00 0.00 33.01 33.64 3f7b s GLN 92 CO 0.41 -0.47 -0.10 -1.17 -2.54 0.00 0.00 175.29 171.41 3f7b s LEU 93 N -2.55 1.89 0.34 2.60 0.20 -0.19 -1.12 118.68 119.85 3f7b s LEU 93 Ca 0.02 -0.20 0.06 0.00 0.69 0.00 0.00 54.13 54.70 3f7b s LEU 93 Cb -0.01 -0.57 -0.02 0.00 -0.43 0.00 0.00 46.19 45.16 3f7b s LEU 93 CO -0.10 0.10 0.32 -1.38 -0.29 0.00 0.00 176.35 174.99 3f7b s HIS 94 N 0.00 1.68 0.14 5.38 -3.43 -0.62 -0.45 115.29 118.00 3f7b s HIS 94 Ca -0.00 -1.62 0.01 0.00 -0.80 0.00 0.00 55.06 52.64 3f7b s HIS 94 Cb -0.07 -0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 30.42 3f7b s HIS 94 CO 0.00 -0.93 0.01 -0.51 -2.00 0.00 0.00 174.74 171.31 3f7b s LEU 95 N -3.36 2.10 0.03 5.38 1.02 -1.22 -1.03 118.68 121.60 3f7b s LEU 95 Ca 0.39 -1.15 0.06 0.00 0.02 0.00 0.00 54.13 53.46 3f7b s LEU 95 Cb 0.02 0.06 -0.02 0.00 0.02 0.00 0.00 46.19 46.27 3f7b s LEU 95 CO 0.27 -0.60 -0.18 -1.00 0.02 0.00 0.00 176.35 174.87 3f7b s HIS 96 N -3.78 1.55 0.23 0.29 3.76 0.62 -4.53 115.29 113.42 3f7b s HIS 96 Ca 0.21 -0.35 -0.22 0.00 -0.15 0.00 0.00 55.06 54.55 3f7b s HIS 96 Cb 0.07 -0.93 0.04 0.00 1.11 0.00 0.00 32.58 32.86 3f7b s HIS 96 CO 0.01 0.05 0.72 1.67 -0.85 0.00 0.00 174.74 176.35 3f7b s TRP 97 N -0.76 -0.27 0.00 1.40 -2.14 -1.15 0.38 118.94 116.40 3f7b s TRP 97 Ca 0.05 -0.10 0.00 0.00 2.66 0.00 0.00 56.10 58.71 3f7b s TRP 97 Cb -0.08 0.66 0.00 0.00 -3.10 0.00 0.00 33.47 30.95 3f7b s TRP 97 CO 0.01 -1.08 0.00 0.45 -2.66 0.00 0.00 176.95 173.67 3f7b n SER 98 N -0.43 1.56 -0.38 -2.66 2.88 -1.14 -0.01 113.62 113.44 3f7b n SER 98 Ca -0.08 -0.38 0.03 0.00 -1.33 0.00 0.00 58.87 57.12 3f7b n SER 98 Cb 0.61 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.16 3f7b n SER 98 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3f7b n ASP 99 N -0.54 2.55 -4.22 -3.46 5.75 -1.26 -4.80 116.55 110.57 3f7b n ASP 99 Ca 0.00 -2.02 -0.22 0.00 -0.01 0.00 0.00 54.79 52.54 3f7b n ASP 99 Cb 0.00 -0.14 -0.13 0.00 -1.03 0.00 0.00 41.12 39.82 3f7b n ASP 99 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3f7b s LEU 100 N -1.04 2.24 0.32 -2.12 1.43 -1.26 -5.04 118.68 113.22 3f7b s LEU 100 Ca 0.14 -0.59 0.25 0.00 -1.03 0.00 0.00 54.13 52.90 3f7b s LEU 100 Cb 0.07 -0.73 1.14 0.00 0.03 0.00 0.00 46.19 46.70 3f7b s LEU 100 CO 0.09 0.03 1.74 1.55 0.23 0.00 0.00 176.35 180.00 3f7b h PRO 101 N 4.47 0.00 -0.19 1.29 0.13 -1.93 -3.18 132.00 132.59 3f7b h PRO 101 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3f7b h PRO 101 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3f7b h PRO 101 CO 0.41 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.66 3f7b n TYR 102 N -2.34 0.29 -1.75 1.56 0.18 -1.26 -2.43 117.16 111.40 3f7b n TYR 102 Ca 0.01 -0.54 0.01 0.00 1.88 0.00 0.00 57.90 59.26 3f7b n TYR 102 Cb 0.16 -0.06 0.02 0.00 -0.38 0.00 0.00 39.34 39.08 3f7b n TYR 102 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3f7b n LYS 103 N -0.02 0.19 0.00 -3.48 2.85 -1.20 -4.37 118.16 112.12 3f7b n LYS 103 Ca 0.08 -1.12 0.08 0.00 -1.05 0.00 0.00 58.31 56.30 3f7b n LYS 103 Cb 0.39 -0.62 -0.05 0.00 -0.65 0.00 0.00 35.03 34.10 3f7b n LYS 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3f7b n GLY 104 N -0.16 -0.32 3.90 2.58 0.00 0.10 -4.53 105.19 106.76 3f7b n GLY 104 Ca 0.02 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 3f7b n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f7b s SER 105 N -2.34 6.36 -0.17 1.61 1.04 -0.40 -2.93 113.70 116.87 3f7b s SER 105 Ca 0.10 0.89 -0.16 0.00 0.48 0.00 0.00 55.95 57.27 3f7b s SER 105 Cb 0.14 -2.23 -0.12 0.00 0.10 0.00 0.00 66.02 63.91 3f7b s SER 105 CO 0.58 -0.44 0.12 -0.33 0.98 0.00 0.00 173.24 174.15 3f7b h GLU 106 N 0.78 0.00 -7.27 4.02 5.08 -1.90 -3.45 114.58 111.83 3f7b h GLU 106 Ca -0.47 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.38 3f7b h GLU 106 Cb 1.20 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.55 3f7b h GLU 106 CO 0.63 0.55 0.35 -1.01 -1.00 0.00 0.00 179.01 178.54 3f7b s HIS 107 N -2.22 2.77 0.14 4.33 3.76 -1.26 -4.60 115.29 118.21 3f7b s HIS 107 Ca -0.20 1.52 0.07 0.00 -0.15 0.00 0.00 55.06 56.29 3f7b s HIS 107 Cb 0.03 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 3f7b s HIS 107 CO 0.41 -1.53 -0.15 -1.54 -0.85 0.00 0.00 174.74 171.08 3f7b s SER 108 N -3.16 2.20 -0.21 1.40 1.04 -1.10 -4.66 113.70 109.21 3f7b s SER 108 Ca 0.62 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 56.19 3f7b s SER 108 Cb -0.17 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.86 3f7b s SER 108 CO 0.49 -0.13 -0.09 -0.76 0.98 0.00 0.00 173.24 173.73 3f7b s LEU 109 N -2.60 2.74 -1.49 2.42 1.43 -0.16 -1.49 118.68 119.53 3f7b s LEU 109 Ca 0.12 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 3f7b s LEU 109 Cb -0.04 -1.65 0.07 0.00 0.03 0.00 0.00 46.19 44.59 3f7b s LEU 109 CO 0.04 -0.04 0.93 0.47 0.23 0.00 0.00 176.35 177.98 3f7b n ASP 110 N 4.72 -4.11 0.00 2.29 8.00 -0.12 -0.73 116.55 126.61 3f7b n ASP 110 Ca -0.19 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3f7b n ASP 110 Cb 0.50 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 3f7b n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f7b n GLY 111 N -1.69 1.10 3.75 0.44 0.00 -1.26 -4.99 105.19 102.54 3f7b n GLY 111 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3f7b n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f7b s GLU 112 N -0.23 4.21 0.21 1.61 2.02 0.09 -5.02 118.70 121.58 3f7b s GLU 112 Ca 0.00 0.34 0.05 0.00 0.02 0.00 0.00 54.97 55.38 3f7b s GLU 112 Cb 0.00 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 3f7b s GLU 112 CO 0.00 0.32 0.27 -1.01 0.02 0.00 0.00 175.26 174.85 3f7b s HIS 113 N 0.15 3.34 0.50 1.61 3.76 -1.26 -0.99 115.29 122.39 3f7b s HIS 113 Ca 0.23 -0.00 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 3f7b s HIS 113 Cb -0.15 -1.55 -0.01 0.00 1.11 0.00 0.00 32.58 31.98 3f7b s HIS 113 CO 0.09 0.49 0.09 -0.06 -0.85 0.00 0.00 174.74 174.50 3f7b s PHE 114 N -1.91 1.95 0.23 1.40 0.40 -1.26 -4.59 117.98 114.20 3f7b s PHE 114 Ca 0.33 -0.87 0.11 0.00 -0.60 0.00 0.00 56.93 55.90 3f7b s PHE 114 Cb -0.09 -1.71 0.29 0.00 0.51 0.00 0.00 43.02 42.01 3f7b s PHE 114 CO 0.27 0.12 1.57 0.00 0.70 0.00 0.00 175.22 177.88 3f7b h ALA 115 N 1.29 0.88 -2.82 5.36 0.00 -0.37 0.68 119.26 124.27 3f7b h ALA 115 Ca -0.43 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 53.77 3f7b h ALA 115 Cb 1.30 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 3f7b h ALA 115 CO 0.72 0.82 -0.19 -1.64 0.00 0.00 0.00 179.25 178.96 3f7b s MET 116 N -3.46 1.58 -0.06 0.00 -1.94 -0.79 -2.90 119.30 111.73 3f7b s MET 116 Ca -0.01 -1.40 -0.03 0.00 -1.71 0.00 0.00 55.69 52.54 3f7b s MET 116 Cb 0.12 0.44 0.03 0.00 2.01 0.00 0.00 34.83 37.44 3f7b s MET 116 CO 0.77 -0.65 0.15 -2.00 -0.01 0.00 0.00 175.02 173.28 3f7b s GLU 117 N -3.82 0.12 -0.11 2.03 2.12 0.16 -0.90 118.70 118.30 3f7b s GLU 117 Ca 0.26 0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.91 3f7b s GLU 117 Cb 0.00 -0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.25 3f7b s GLU 117 CO 0.11 -0.13 -0.03 1.41 -0.54 0.00 0.00 175.26 176.09 3f7b s MET 118 N 0.91 3.19 -0.15 4.30 -2.45 0.52 -0.27 119.30 125.33 3f7b s MET 118 Ca -0.07 -0.48 0.01 0.00 -1.25 0.00 0.00 55.69 53.90 3f7b s MET 118 Cb -0.09 -2.79 0.02 0.00 1.25 0.00 0.00 34.83 33.22 3f7b s MET 118 CO -0.05 0.52 -0.16 -1.01 1.05 0.00 0.00 175.02 175.37 3f7b s HIS 119 N -0.40 2.36 -0.33 4.11 3.76 -0.20 -0.65 115.29 123.95 3f7b s HIS 119 Ca 0.07 -1.33 -0.07 0.00 -0.15 0.00 0.00 55.06 53.58 3f7b s HIS 119 Cb -0.12 -1.69 0.03 0.00 1.11 0.00 0.00 32.58 31.90 3f7b s HIS 119 CO 0.02 -0.69 0.11 0.42 -0.85 0.00 0.00 174.74 173.75 3f7b s ILE 120 N 1.34 3.94 -0.18 0.60 1.01 0.22 -1.59 121.20 126.53 3f7b s ILE 120 Ca 0.03 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 3f7b s ILE 120 Cb -0.13 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3f7b s ILE 120 CO -0.10 -0.09 0.46 -0.69 0.00 0.00 0.00 174.94 174.52 3f7b s VAL 121 N 1.46 5.16 0.18 2.92 1.01 -0.27 -0.68 120.40 130.17 3f7b s VAL 121 Ca 0.00 0.85 0.08 0.00 0.00 0.00 0.00 61.98 62.91 3f7b s VAL 121 Cb -0.19 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3f7b s VAL 121 CO 0.03 0.24 -0.15 -1.00 0.00 0.00 0.00 175.10 174.22 3f7b s HIS 122 N 1.30 1.69 -0.04 5.22 3.76 0.25 0.18 115.29 127.64 3f7b s HIS 122 Ca 0.22 -0.55 0.05 0.00 -0.15 0.00 0.00 55.06 54.64 3f7b s HIS 122 Cb -0.15 -0.81 -0.01 0.00 1.11 0.00 0.00 32.58 32.72 3f7b s HIS 122 CO 0.09 0.31 -0.20 -2.00 -0.85 0.00 0.00 174.74 172.10 3f7b s GLU 123 N -3.28 1.99 0.22 1.40 2.12 0.03 -1.19 118.70 120.00 3f7b s GLU 123 Ca 0.19 -0.71 -0.32 0.00 0.36 0.00 0.00 54.97 54.49 3f7b s GLU 123 Cb -0.03 -1.73 -0.13 0.00 0.26 0.00 0.00 34.13 32.50 3f7b s GLU 123 CO 0.06 0.30 1.55 1.17 -0.54 0.00 0.00 175.26 177.81 3f7b n LYS 124 N 3.03 2.35 -2.49 4.30 4.81 -0.06 -0.98 118.16 129.11 3f7b n LYS 124 Ca -0.18 0.84 -0.41 0.00 -0.87 0.00 0.00 58.31 57.70 3f7b n LYS 124 Cb 0.53 -2.59 -0.04 0.00 0.02 0.00 0.00 35.03 32.94 3f7b n LYS 124 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3f7b s GLU 125 N 0.22 4.61 0.42 1.64 2.02 0.72 -4.85 118.70 123.49 3f7b s GLU 125 Ca 0.71 1.77 -0.22 0.00 0.02 0.00 0.00 54.97 57.25 3f7b s GLU 125 Cb -0.60 -3.23 -0.10 0.00 0.10 0.00 0.00 34.13 30.30 3f7b s GLU 125 CO 0.43 0.14 1.00 -1.59 0.02 0.00 0.00 175.26 175.26 3f7b s LYS 126 N -0.89 4.14 0.00 1.61 0.00 -1.26 -4.41 119.74 118.93 3f7b s LYS 126 Ca 0.47 1.34 0.00 0.00 0.00 0.00 0.00 55.97 57.78 3f7b s LYS 126 Cb -0.31 -2.36 0.00 0.00 0.00 0.00 0.00 37.83 35.16 3f7b s LYS 126 CO 0.38 -0.13 0.00 0.41 0.00 0.00 0.00 175.35 176.01 3f7b n GLY 126 N -0.06 1.01 0.09 0.59 0.00 -1.26 -4.95 105.19 100.62 3f7b n GLY 126 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 3f7b n GLY 126 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3f7b h THR 127 N 0.00 0.78 0.00 2.61 2.02 -1.95 -3.55 112.91 112.83 3f7b h THR 127 Ca 0.00 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.76 3f7b h THR 127 Cb 0.00 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 3f7b h THR 127 CO 0.00 0.45 0.00 -0.24 0.37 0.00 0.00 175.52 176.10 3f7b n SER 128 N -3.02 0.00 0.00 4.18 2.88 -1.26 -5.11 113.62 111.29 3f7b n SER 128 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 3f7b n SER 128 Cb 0.92 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 3f7b n SER 128 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3f7b n PRO 137 N 0.00 0.00 0.02 -1.46 -0.04 -1.26 -5.29 135.00 126.97 3f7b n PRO 137 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 3f7b n PRO 137 Cb 0.00 0.00 0.55 0.00 -0.04 0.00 0.00 33.50 34.01 3f7b n PRO 137 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3f7b n GLU 138 N -0.97 0.05 -0.69 0.54 0.28 -1.26 -2.40 120.64 116.18 3f7b n GLU 138 Ca 0.00 0.07 0.04 0.00 -0.16 0.00 0.00 57.16 57.11 3f7b n GLU 138 Cb 0.00 -1.56 0.06 0.00 1.43 0.00 0.00 31.44 31.37 3f7b n GLU 138 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3f7b n ASP 139 N -1.65 0.94 0.15 -1.84 5.75 -1.24 -2.52 116.55 116.14 3f7b n ASP 139 Ca 0.06 -2.45 0.13 0.00 -0.01 0.00 0.00 54.79 52.52 3f7b n ASP 139 Cb 0.34 -0.31 0.66 0.00 -1.03 0.00 0.00 41.12 40.77 3f7b n ASP 139 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3f7b h GLU 140 N 0.39 0.01 -5.07 0.11 4.22 -1.12 -3.43 114.58 109.70 3f7b h GLU 140 Ca -0.06 -0.00 -0.63 0.00 0.08 0.00 0.00 59.36 58.75 3f7b h GLU 140 Cb 1.41 -0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.32 3f7b h GLU 140 CO 0.03 0.01 -0.86 0.42 -2.18 0.00 0.00 179.01 176.42 3f7b s ILE 141 N -5.06 1.77 -0.26 2.32 1.01 -0.49 -0.88 121.20 119.61 3f7b s ILE 141 Ca -0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 3f7b s ILE 141 Cb 0.18 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 41.10 3f7b s ILE 141 CO 0.70 0.50 0.01 0.00 0.00 0.00 0.00 174.94 176.14 3f7b s ALA 142 N 0.53 2.90 -0.19 9.38 0.00 -0.33 -0.29 121.76 133.75 3f7b s ALA 142 Ca -0.16 -1.36 -0.06 0.00 0.00 0.00 0.00 51.96 50.39 3f7b s ALA 142 Cb -0.17 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 3f7b s ALA 142 CO 0.06 -0.73 0.02 0.08 0.00 0.00 0.00 175.76 175.18 3f7b s VAL 143 N 1.45 4.20 -0.20 0.00 1.01 -1.05 -0.58 120.40 125.23 3f7b s VAL 143 Ca 0.03 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 3f7b s VAL 143 Cb -0.16 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3f7b s VAL 143 CO -0.01 0.44 0.37 -0.76 0.00 0.00 0.00 175.10 175.14 3f7b s LEU 144 N 0.74 4.16 -0.13 3.92 1.43 0.14 -1.86 118.68 127.09 3f7b s LEU 144 Ca 0.01 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3f7b s LEU 144 Cb -0.14 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.61 3f7b s LEU 144 CO 0.02 -0.05 -0.23 0.00 0.23 0.00 0.00 176.35 176.33 3f7b s ALA 145 N 1.20 2.23 -0.11 4.21 0.00 -0.06 -0.61 121.76 128.61 3f7b s ALA 145 Ca 0.18 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.11 3f7b s ALA 145 Cb -0.14 -0.94 -0.00 0.00 0.00 0.00 0.00 23.12 22.03 3f7b s ALA 145 CO 0.07 0.07 -0.21 -0.06 0.00 0.00 0.00 175.76 175.64 3f7b s PHE 146 N 0.66 2.64 0.30 0.00 0.40 0.17 -2.02 117.98 120.13 3f7b s PHE 146 Ca -0.11 -0.93 -0.21 0.00 -0.60 0.00 0.00 56.93 55.08 3f7b s PHE 146 Cb -0.16 -1.75 -0.09 0.00 0.51 0.00 0.00 43.02 41.52 3f7b s PHE 146 CO 0.02 -0.36 0.83 -0.51 0.70 0.00 0.00 175.22 175.90 3f7b s LEU 147 N 0.35 4.26 -0.05 -0.37 1.43 -1.26 -0.36 118.68 122.67 3f7b s LEU 147 Ca -0.16 1.58 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 3f7b s LEU 147 Cb -0.17 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.13 3f7b s LEU 147 CO 0.08 -0.08 -0.15 -0.69 0.23 0.00 0.00 176.35 175.74 3f7b s VAL 148 N -1.70 1.28 0.11 -1.59 1.01 -0.08 0.10 120.40 119.53 3f7b s VAL 148 Ca 0.49 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3f7b s VAL 148 Cb -0.16 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3f7b s VAL 148 CO 0.20 0.38 -0.08 -1.83 0.00 0.00 0.00 175.10 173.77 3f7b s GLU 149 N 0.23 0.88 0.59 2.72 -1.05 -0.71 -0.39 118.70 120.98 3f7b s GLU 149 Ca -0.07 -1.33 -0.20 0.00 -0.15 0.00 0.00 54.97 53.22 3f7b s GLU 149 Cb -0.12 -0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 33.19 3f7b s GLU 149 CO 0.03 0.02 1.29 0.00 0.95 0.00 0.00 175.26 177.55 3f7b s ALA 150 N -3.37 2.59 0.29 -0.84 0.00 -1.25 -1.54 121.76 117.63 3f7b s ALA 150 Ca 0.12 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3f7b s ALA 150 Cb 0.03 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3f7b s ALA 150 CO -0.03 -1.39 0.25 0.20 0.00 0.00 0.00 175.76 174.79 3f7b s GLY 151 N -1.28 1.95 0.39 0.00 0.00 0.33 -4.76 107.32 103.96 3f7b s GLY 151 Ca 0.77 -1.89 0.21 0.00 0.00 0.00 0.00 44.72 43.81 3f7b s GLY 151 CO 0.41 -1.40 1.68 -0.91 0.00 0.00 0.00 173.10 172.87 3f7b h THR 151 N 2.30 0.57 -2.65 0.90 1.35 -1.97 -3.38 112.91 110.03 3f7b h THR 151 Ca -0.29 -1.46 -0.56 0.00 -0.55 0.00 0.00 66.41 63.56 3f7b h THR 151 Cb 1.24 2.01 -0.05 0.00 -1.73 0.00 0.00 68.15 69.62 3f7b h THR 151 CO 0.42 0.28 -0.52 -1.10 -0.25 0.00 0.00 175.52 174.35 3f7b s GLN 152 N -3.37 3.17 0.11 4.72 -0.21 -1.26 -4.95 119.66 117.87 3f7b s GLN 152 Ca 0.03 -0.73 -0.31 0.00 0.02 0.00 0.00 55.36 54.37 3f7b s GLN 152 Cb 0.09 -2.81 -0.08 0.00 1.00 0.00 0.00 33.01 31.21 3f7b s GLN 152 CO 0.67 0.51 1.38 0.08 -2.12 0.00 0.00 175.29 175.81 3f7b s VAL 153 N -1.73 3.34 -0.66 1.09 1.01 -1.26 -2.88 120.40 119.31 3f7b s VAL 153 Ca 0.33 0.96 -0.23 0.00 0.00 0.00 0.00 61.98 63.04 3f7b s VAL 153 Cb -0.11 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.72 3f7b s VAL 153 CO 0.26 0.08 0.98 0.21 0.00 0.00 0.00 175.10 176.63 3f7b s ASN 154 N 1.08 6.18 0.32 3.32 3.84 -1.26 -4.91 114.94 123.50 3f7b s ASN 154 Ca 0.64 -0.94 0.10 0.00 0.21 0.00 0.00 52.86 52.87 3f7b s ASN 154 Cb -0.36 -2.43 0.54 0.00 -0.55 0.00 0.00 41.25 38.45 3f7b s ASN 154 CO 0.30 -1.46 1.73 -0.33 -2.79 0.00 0.00 177.10 174.55 3f7b h GLU 155 N 9.59 0.09 -0.49 0.43 4.39 -1.93 -2.65 114.58 124.01 3f7b h GLU 155 Ca -0.29 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.46 3f7b h GLU 155 Cb 1.07 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 3f7b h GLU 155 CO 1.19 0.52 0.34 0.78 -1.16 0.00 0.00 179.01 180.67 3f7b h GLY 156 N 1.31 0.37 2.00 -3.84 0.00 -1.91 -1.47 103.07 99.53 3f7b h GLY 156 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3f7b h GLY 156 CO 0.06 0.07 0.00 0.69 0.00 0.00 0.00 176.54 177.36 3f7b n PHE 157 N -4.46 0.67 -0.30 5.60 3.01 -1.00 -4.40 117.46 116.58 3f7b n PHE 157 Ca 0.08 0.20 -0.04 0.00 1.01 0.00 0.00 57.45 58.70 3f7b n PHE 157 Cb 0.37 -0.83 0.08 0.00 -0.01 0.00 0.00 39.48 39.09 3f7b n PHE 157 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3f7b h GLN 158 N 0.00 1.06 0.00 -1.08 1.08 -1.34 0.18 115.11 115.00 3f7b h GLN 158 Ca 0.00 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 3f7b h GLN 158 Cb 0.62 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3f7b h GLN 158 CO 0.00 0.70 -0.08 -1.35 -0.95 0.00 0.00 178.83 177.15 3f7b h PRO 159 N 1.09 0.00 -0.04 1.46 0.11 -1.78 0.03 132.00 132.88 3f7b h PRO 159 Ca 0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.39 3f7b h PRO 159 Cb -0.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 3f7b h PRO 159 CO -0.07 0.08 -0.06 1.25 -0.21 0.00 0.00 178.00 178.99 3f7b h LEU 160 N 0.00 0.12 -0.47 2.35 5.85 -1.40 -2.42 115.31 119.33 3f7b h LEU 160 Ca -0.00 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.20 3f7b h LEU 160 Cb 0.15 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3f7b h LEU 160 CO 0.01 0.64 0.27 0.58 -0.34 0.00 0.00 178.44 179.60 3f7b h VAL 161 N -0.40 1.04 -0.72 1.05 2.07 -0.78 -2.28 116.25 116.23 3f7b h VAL 161 Ca 0.00 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3f7b h VAL 161 Cb 0.62 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3f7b h VAL 161 CO 0.01 0.10 0.21 -0.33 0.02 0.00 0.00 177.57 177.58 3f7b h GLU 162 N 0.55 1.13 0.00 1.57 5.08 -1.07 -2.12 114.58 119.72 3f7b h GLU 162 Ca 0.19 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3f7b h GLU 162 Cb 0.03 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3f7b h GLU 162 CO -0.09 0.98 -0.06 0.00 -1.00 0.00 0.00 179.01 178.84 3f7b h ALA 163 N 1.10 1.19 -0.95 3.43 0.00 -0.89 -2.96 119.26 120.18 3f7b h ALA 163 Ca 0.23 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.25 3f7b h ALA 163 Cb 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 3f7b h ALA 163 CO -0.00 0.07 0.60 -0.07 0.00 0.00 0.00 179.25 179.85 3f7b h LEU 164 N 0.00 0.70 -1.95 0.00 3.38 -1.01 -0.50 115.31 115.92 3f7b h LEU 164 Ca -0.00 0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.24 3f7b h LEU 164 Cb 0.26 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3f7b h LEU 164 CO 0.01 0.31 0.59 0.28 0.09 0.00 0.00 178.44 179.72 3f7b h SER 165 N 0.71 0.00 0.08 -0.43 0.02 -1.67 -1.82 113.55 110.45 3f7b h SER 165 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 3f7b h SER 165 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3f7b h SER 165 CO -0.27 0.00 -0.14 0.59 -1.14 0.00 0.00 176.83 175.87 3f7b n ASN 166 N -4.05 1.54 -2.73 3.07 3.02 -0.20 -4.30 115.26 111.61 3f7b n ASN 166 Ca 0.15 -1.33 -0.17 0.00 -0.03 0.00 0.00 54.58 53.20 3f7b n ASN 166 Cb 0.86 0.10 0.01 0.00 -0.61 0.00 0.00 39.78 40.13 3f7b n ASN 166 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3f7b n ILE 167 N -0.02 1.34 0.01 2.41 -5.35 -0.68 -4.73 119.36 112.33 3f7b n ILE 167 Ca 0.15 -4.04 0.00 0.00 -0.27 0.00 0.00 62.75 58.59 3f7b n ILE 167 Cb 0.39 -0.18 0.30 0.00 -1.74 0.00 0.00 39.64 38.41 3f7b n ILE 167 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3f7b h PRO 168 N 2.89 0.51 -6.20 6.28 0.13 -1.74 -3.42 132.00 130.44 3f7b h PRO 168 Ca 0.06 -0.11 -0.58 0.00 -0.87 0.00 0.00 66.00 64.50 3f7b h PRO 168 Cb 1.01 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.00 3f7b h PRO 168 CO 0.62 0.54 -0.57 0.15 -0.23 0.00 0.00 178.00 178.51 3f7b s LYS 169 N -4.96 2.89 0.46 0.86 1.02 -1.26 -0.25 119.74 118.50 3f7b s LYS 169 Ca -0.07 -0.86 -0.24 0.00 0.02 0.00 0.00 55.97 54.81 3f7b s LYS 169 Cb 0.15 -2.64 -0.09 0.00 -0.52 0.00 0.00 37.83 34.73 3f7b s LYS 169 CO 0.76 0.49 1.16 -2.30 -0.92 0.00 0.00 175.35 174.54 3f7b n PRO 170 N -0.30 1.58 -0.90 -1.68 -0.02 -1.26 -2.08 135.00 130.34 3f7b n PRO 170 Ca -0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3f7b n PRO 170 Cb 0.54 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3f7b n PRO 170 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3f7b n GLU 171 N -0.19 -0.18 -3.00 -0.52 -0.58 0.34 -4.89 120.64 111.61 3f7b n GLU 171 Ca 0.09 0.05 -0.38 0.00 -0.42 0.00 0.00 57.16 56.50 3f7b n GLU 171 Cb 0.41 -3.23 -0.06 0.00 -0.57 0.00 0.00 31.44 27.99 3f7b n GLU 171 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3f7b s MET 172 N -0.37 4.43 0.17 3.49 -1.94 -0.88 -4.90 119.30 119.29 3f7b s MET 172 Ca 0.00 1.06 0.04 0.00 -1.71 0.00 0.00 55.69 55.08 3f7b s MET 172 Cb 0.00 -3.03 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 3f7b s MET 172 CO 0.00 0.46 -0.07 -1.54 -0.01 0.00 0.00 175.02 173.86 3f7b s SER 173 N -1.43 1.73 0.36 3.03 1.04 -1.26 -1.17 113.70 116.00 3f7b s SER 173 Ca 0.41 -1.07 -0.09 0.00 0.48 0.00 0.00 55.95 55.68 3f7b s SER 173 Cb -0.20 0.01 0.02 0.00 0.10 0.00 0.00 66.02 65.96 3f7b s SER 173 CO 0.24 -0.40 0.61 0.28 0.98 0.00 0.00 173.24 174.95 3f7b s THR 174 N -3.39 0.00 -0.12 2.02 -1.32 -0.25 -4.92 115.64 107.66 3f7b s THR 174 Ca 0.20 -1.33 0.02 0.00 -1.21 0.00 0.00 61.69 59.36 3f7b s THR 174 Cb 0.04 -2.71 -0.01 0.00 -1.51 0.00 0.00 72.50 68.31 3f7b s THR 174 CO 0.02 0.00 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.37 3f7b s THR 175 N -2.79 2.61 0.48 5.08 2.01 -1.26 -1.38 115.64 120.39 3f7b s THR 175 Ca 0.24 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 3f7b s THR 175 Cb -0.02 -2.06 -0.08 0.00 0.01 0.00 0.00 72.50 70.34 3f7b s THR 175 CO 0.16 0.54 1.05 -0.04 -0.69 0.00 0.00 174.62 175.64 3f7b s MET 176 N 0.36 3.79 0.85 4.92 -1.94 -0.13 -4.93 119.30 122.23 3f7b s MET 176 Ca -0.14 1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 55.12 3f7b s MET 176 Cb -0.17 -2.12 0.11 0.00 2.01 0.00 0.00 34.83 34.66 3f7b s MET 176 CO 0.07 -0.44 1.18 0.00 -0.01 0.00 0.00 175.02 175.81 3f7b s ALA 177 N -1.93 1.69 0.15 3.03 0.00 -1.26 -3.82 121.76 119.62 3f7b s ALA 177 Ca 0.67 0.72 -0.32 0.00 0.00 0.00 0.00 51.96 53.02 3f7b s ALA 177 Cb -0.18 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 19.31 3f7b s ALA 177 CO 0.21 -2.49 0.93 0.39 0.00 0.00 0.00 175.76 174.81 3f7b n GLU 178 N -3.72 0.58 -3.54 0.00 1.02 -1.25 -4.73 120.64 109.00 3f7b n GLU 178 Ca 0.13 0.21 -0.10 0.00 -0.02 0.00 0.00 57.16 57.37 3f7b n GLU 178 Cb 0.51 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 3f7b n GLU 178 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3f7b s SER 179 N -0.36 -0.38 0.26 1.62 0.15 0.14 -4.85 113.70 110.28 3f7b s SER 179 Ca 0.73 0.25 0.11 0.00 0.70 0.00 0.00 55.95 57.74 3f7b s SER 179 Cb -0.95 0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 63.66 3f7b s SER 179 CO 0.55 -0.47 -0.19 -0.94 1.20 0.00 0.00 173.24 173.40 3f7b s SER 180 N -1.68 3.35 0.24 5.45 1.04 -1.26 0.25 113.70 121.09 3f7b s SER 180 Ca 0.01 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.42 3f7b s SER 180 Cb -0.01 -0.26 0.26 0.00 0.10 0.00 0.00 66.02 66.11 3f7b s SER 180 CO -0.02 -0.01 1.59 -0.07 0.98 0.00 0.00 173.24 175.71 3f7b h LEU 181 N 2.35 0.45 -1.69 2.42 3.38 -1.62 -2.82 115.31 117.77 3f7b h LEU 181 Ca -0.40 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.41 3f7b h LEU 181 Cb 1.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3f7b h LEU 181 CO 0.60 0.86 0.30 0.25 0.09 0.00 0.00 178.44 180.54 3f7b h LEU 182 N 0.33 0.34 -2.11 1.67 5.85 -1.51 0.23 115.31 120.12 3f7b h LEU 182 Ca 0.02 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3f7b h LEU 182 Cb 0.96 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3f7b h LEU 182 CO 0.08 0.22 0.20 0.44 -0.34 0.00 0.00 178.44 179.05 3f7b h ASP 183 N 0.39 0.00 1.19 1.25 3.32 -1.77 -1.49 116.42 119.31 3f7b h ASP 183 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3f7b h ASP 183 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3f7b h ASP 183 CO -0.05 0.00 -0.26 0.18 -1.72 0.00 0.00 179.24 177.39 3f7b n LEU 184 N -4.17 0.74 -4.86 1.55 4.77 0.79 -4.13 117.00 111.69 3f7b n LEU 184 Ca 0.03 0.42 -0.22 0.00 -0.03 0.00 0.00 56.01 56.21 3f7b n LEU 184 Cb 0.35 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3f7b n LEU 184 CO 0.32 -0.12 -0.13 -0.76 -1.33 0.00 0.00 177.39 175.37 3f7b s LEU 185 N -4.32 3.92 0.97 2.23 1.43 -0.56 -5.01 118.68 117.33 3f7b s LEU 185 Ca 0.09 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 3f7b s LEU 185 Cb 0.13 -2.46 0.19 0.00 0.03 0.00 0.00 46.19 44.08 3f7b s LEU 185 CO 0.65 -0.06 1.26 -2.16 0.23 0.00 0.00 176.35 176.27 3f7b s PRO 186 N -3.88 0.62 0.00 1.29 0.04 -1.26 -4.97 135.00 126.83 3f7b s PRO 186 Ca 0.34 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.14 3f7b s PRO 186 Cb -0.08 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3f7b s PRO 186 CO 0.26 -2.46 0.00 1.63 0.04 0.00 0.00 177.00 176.47 3f7b n LYS 187 N -3.84 0.00 0.00 4.56 4.01 -1.26 -4.87 118.16 116.76 3f7b n LYS 187 Ca 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 3f7b n LYS 187 Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.12 3f7b n LYS 187 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3f7b n GLU 187 N 0.00 0.00 0.00 1.97 -0.58 -1.26 -3.62 120.64 117.15 3f7b n GLU 187 Ca 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.85 3f7b n GLU 187 Cb 0.00 0.00 0.62 0.00 -0.57 0.00 0.00 31.44 31.49 3f7b n GLU 187 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3f7b n LYS 188 N 0.00 0.80 -0.01 3.49 4.76 -1.26 -3.41 118.16 122.53 3f7b n LYS 188 Ca 0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 3f7b n LYS 188 Cb 0.00 -1.41 0.07 0.00 -1.84 0.00 0.00 35.03 31.85 3f7b n LYS 188 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3f7b n LEU 189 N -0.91 2.24 -0.06 -0.35 4.77 -1.24 -4.54 117.00 116.92 3f7b n LEU 189 Ca 0.16 -1.06 -0.12 0.00 -0.03 0.00 0.00 56.01 54.95 3f7b n LEU 189 Cb 0.07 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 3f7b n LEU 189 CO 0.12 0.42 0.67 -0.09 -1.33 0.00 0.00 177.39 177.18 3f7b h ARG 189 N 2.77 0.34 -5.05 3.23 9.65 -1.91 -3.43 114.38 119.97 3f7b h ARG 189 Ca 0.00 -0.15 -0.63 0.00 -1.10 0.00 0.00 59.98 58.10 3f7b h ARG 189 Cb 0.60 -0.01 -0.16 0.00 -1.39 0.00 0.00 29.97 29.02 3f7b h ARG 189 CO 0.00 0.65 -0.33 -1.01 2.80 0.00 0.00 179.97 182.07 3f7b s HIS 190 N -4.59 3.23 0.12 2.20 3.76 -1.26 -4.77 115.29 113.98 3f7b s HIS 190 Ca -0.14 0.27 -0.08 0.00 -0.15 0.00 0.00 55.06 54.96 3f7b s HIS 190 Cb 0.06 -2.52 -0.01 0.00 1.11 0.00 0.00 32.58 31.22 3f7b s HIS 190 CO 0.74 -0.23 0.22 1.52 -0.85 0.00 0.00 174.74 176.15 3f7b s TYR 191 N 1.96 0.28 0.17 1.40 -0.85 -1.26 -1.29 117.35 117.76 3f7b s TYR 191 Ca 0.12 -0.68 0.07 0.00 -0.52 0.00 0.00 57.07 56.06 3f7b s TYR 191 Cb -0.16 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 3f7b s TYR 191 CO 0.10 -0.62 0.00 -0.06 -1.52 0.00 0.00 175.55 173.46 3f7b s PHE 192 N -3.91 2.86 -0.01 -3.49 0.08 0.01 -1.59 117.98 111.92 3f7b s PHE 192 Ca 0.11 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.03 3f7b s PHE 192 Cb 0.04 -1.39 0.02 0.00 -0.57 0.00 0.00 43.02 41.12 3f7b s PHE 192 CO -0.06 0.52 0.01 0.50 -0.10 0.00 0.00 175.22 176.09 3f7b s ARG 193 N -2.92 0.02 0.15 0.44 6.06 0.92 -0.82 118.95 122.80 3f7b s ARG 193 Ca 0.27 0.08 -0.24 0.00 -2.50 0.00 0.00 55.73 53.34 3f7b s ARG 193 Cb -0.09 -0.16 0.06 0.00 0.06 0.00 0.00 34.95 34.82 3f7b s ARG 193 CO 0.19 -0.08 0.81 1.52 -2.50 0.00 0.00 175.30 175.23 3f7b s TYR 194 N 0.55 -0.28 -0.13 5.12 1.13 -1.16 -1.51 117.35 121.07 3f7b s TYR 194 Ca -0.05 -0.00 -0.05 0.00 -1.41 0.00 0.00 57.07 55.56 3f7b s TYR 194 Cb -0.07 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 3f7b s TYR 194 CO -0.01 -0.87 0.04 -0.51 -2.51 0.00 0.00 175.55 171.68 3f7b s LEU 195 N -2.79 3.74 0.00 -3.49 1.43 -1.26 -0.52 118.68 115.79 3f7b s LEU 195 Ca 0.08 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3f7b s LEU 195 Cb -0.02 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3f7b s LEU 195 CO -0.02 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.45 3f7b n GLY 196 N 2.80 3.76 3.41 -3.19 0.00 0.43 -4.90 105.19 107.49 3f7b n GLY 196 Ca -0.18 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 3f7b n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f7b s SER 197 N 1.90 2.13 0.58 1.61 1.04 -1.19 -2.27 113.70 117.50 3f7b s SER 197 Ca 0.00 -1.33 -0.20 0.00 0.48 0.00 0.00 55.95 54.90 3f7b s SER 197 Cb 0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 3f7b s SER 197 CO 0.00 -0.59 1.18 0.18 0.98 0.00 0.00 173.24 174.99 3f7b n LEU 198 N -0.59 4.76 -1.46 2.42 4.77 -0.75 -4.42 117.00 121.71 3f7b n LEU 198 Ca -0.03 0.89 0.11 0.00 -0.03 0.00 0.00 56.01 56.95 3f7b n LEU 198 Cb 0.66 -1.49 0.34 0.00 -2.33 0.00 0.00 43.42 40.60 3f7b n LEU 198 CO 0.40 -1.20 0.80 0.35 -1.33 0.00 0.00 177.39 176.41 3f7b n THR 199 N -1.44 1.35 -4.29 -5.08 -2.24 -1.26 -4.35 114.28 96.97 3f7b n THR 199 Ca 0.13 -1.08 -0.16 0.00 -2.27 0.00 0.00 64.05 60.67 3f7b n THR 199 Cb 0.46 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.93 3f7b n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f7b s THR 200 N -1.35 1.15 0.36 4.28 -4.23 -1.26 -4.72 115.64 109.86 3f7b s THR 200 Ca 0.50 -2.06 -0.26 0.00 -1.18 0.00 0.00 61.69 58.69 3f7b s THR 200 Cb 0.29 -2.07 -0.12 0.00 1.34 0.00 0.00 72.50 71.93 3f7b s THR 200 CO 0.30 -0.56 0.97 -2.65 -0.54 0.00 0.00 174.62 172.14 3f7b n PRO 201 N -0.30 1.29 -0.55 3.99 -0.02 -1.26 -0.51 135.00 137.64 3f7b n PRO 201 Ca -0.08 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 61.92 3f7b n PRO 201 Cb 0.62 -1.90 0.28 0.00 -0.02 0.00 0.00 33.50 32.48 3f7b n PRO 201 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3f7b n THR 202 N -0.17 1.66 -3.40 3.45 -2.24 -1.26 -4.97 114.28 107.33 3f7b n THR 202 Ca 0.09 -0.94 -0.24 0.00 -2.27 0.00 0.00 64.05 60.69 3f7b n THR 202 Cb 0.36 -0.13 0.05 0.00 -2.10 0.00 0.00 70.33 68.50 3f7b n THR 202 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f7b n ASP 204 N -2.73 3.59 -3.69 0.00 8.00 -1.26 -4.43 116.55 116.03 3f7b n ASP 204 Ca -0.04 1.19 -0.41 0.00 0.71 0.00 0.00 54.79 56.24 3f7b n ASP 204 Cb 0.58 -1.58 -0.00 0.00 -0.02 0.00 0.00 41.12 40.10 3f7b n ASP 204 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f7b n GLU 205 N 1.18 3.58 -0.87 -1.24 1.02 -1.26 -1.82 120.64 121.24 3f7b n GLU 205 Ca 0.05 -3.09 0.04 0.00 -0.02 0.00 0.00 57.16 54.14 3f7b n GLU 205 Cb 0.37 -2.96 0.07 0.00 -0.02 0.00 0.00 31.44 28.90 3f7b n GLU 205 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3f7b n LYS 206 N 4.08 0.46 -4.08 3.49 2.85 -1.22 -4.53 118.16 119.21 3f7b n LYS 206 Ca 0.52 -2.04 -0.35 0.00 -1.05 0.00 0.00 58.31 55.39 3f7b n LYS 206 Cb 0.33 -0.63 -0.11 0.00 -0.65 0.00 0.00 35.03 33.98 3f7b n LYS 206 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3f7b s VAL 207 N -0.97 4.47 -0.34 0.58 1.01 -0.96 -1.40 120.40 122.79 3f7b s VAL 207 Ca 0.25 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 3f7b s VAL 207 Cb 0.26 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 3f7b s VAL 207 CO -0.08 0.45 0.68 0.54 0.00 0.00 0.00 175.10 176.69 3f7b s VAL 208 N 0.55 4.87 0.11 2.92 0.11 0.60 -0.43 120.40 129.13 3f7b s VAL 208 Ca 0.01 0.78 -0.15 0.00 -2.93 0.00 0.00 61.98 59.70 3f7b s VAL 208 Cb -0.13 -4.08 -0.07 0.00 -1.53 0.00 0.00 36.38 30.57 3f7b s VAL 208 CO 0.02 -0.28 0.53 0.26 -3.33 0.00 0.00 175.10 172.30 3f7b s TRP 209 N 2.77 3.66 -0.08 1.54 0.52 0.32 -2.52 118.94 125.16 3f7b s TRP 209 Ca 0.27 1.08 0.01 0.00 0.02 0.00 0.00 56.10 57.48 3f7b s TRP 209 Cb -0.14 -2.38 0.02 0.00 -1.15 0.00 0.00 33.47 29.82 3f7b s TRP 209 CO 0.14 0.49 -0.08 0.99 0.02 0.00 0.00 176.95 178.52 3f7b s THR 210 N -1.34 0.90 -0.28 2.01 2.01 -0.78 -2.97 115.64 115.19 3f7b s THR 210 Ca 0.34 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 3f7b s THR 210 Cb -0.16 -0.90 0.04 0.00 0.01 0.00 0.00 72.50 71.49 3f7b s THR 210 CO 0.18 0.33 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.73 3f7b s VAL 211 N 1.24 2.96 0.36 3.82 1.01 0.00 -0.88 120.40 128.91 3f7b s VAL 211 Ca -0.05 -1.28 -0.27 0.00 0.00 0.00 0.00 61.98 60.39 3f7b s VAL 211 Cb -0.14 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 3f7b s VAL 211 CO -0.02 -0.02 1.23 -0.36 0.00 0.00 0.00 175.10 175.92 3f7b s PHE 212 N 1.27 3.10 0.27 5.22 0.40 -0.86 -0.81 117.98 126.57 3f7b s PHE 212 Ca -0.04 1.51 0.09 0.00 -0.60 0.00 0.00 56.93 57.89 3f7b s PHE 212 Cb -0.19 -3.52 0.35 0.00 0.51 0.00 0.00 43.02 40.17 3f7b s PHE 212 CO -0.02 -1.51 1.61 -0.09 0.70 0.00 0.00 175.22 175.91 3f7b h ARG 213 N 3.06 0.06 -5.21 0.44 2.43 -1.50 -3.43 114.38 110.24 3f7b h ARG 213 Ca -0.49 -0.04 -0.61 0.00 -0.81 0.00 0.00 59.98 58.03 3f7b h ARG 213 Cb 1.23 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.64 3f7b h ARG 213 CO 0.64 0.64 -0.52 -1.21 -1.51 0.00 0.00 179.97 178.01 3f7b s GLU 214 N -3.68 4.07 0.53 0.20 0.41 -1.26 -5.03 118.70 113.93 3f7b s GLU 214 Ca -0.02 -0.28 -0.20 0.00 -0.41 0.00 0.00 54.97 54.06 3f7b s GLU 214 Cb 0.13 -3.39 -0.07 0.00 -1.78 0.00 0.00 34.13 29.02 3f7b s GLU 214 CO 0.77 0.20 1.10 -1.25 -0.49 0.00 0.00 175.26 175.59 3f7b s PRO 215 N 0.62 3.48 0.59 0.39 0.04 -1.26 -4.71 135.00 134.15 3f7b s PRO 215 Ca 0.06 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 3f7b s PRO 215 Cb -0.12 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 3f7b s PRO 215 CO 0.01 -0.73 1.12 0.42 0.04 0.00 0.00 177.00 177.86 3f7b s ILE 216 N -1.86 3.22 -0.10 0.56 1.01 0.11 -4.91 121.20 119.24 3f7b s ILE 216 Ca 0.71 0.67 0.01 0.00 0.00 0.00 0.00 60.65 62.04 3f7b s ILE 216 Cb -0.21 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 3f7b s ILE 216 CO 0.25 -0.25 -0.12 -1.10 0.00 0.00 0.00 174.94 173.73 3f7b s GLN 217 N -3.63 3.05 0.20 2.79 -0.21 -1.26 -1.74 119.66 118.87 3f7b s GLN 217 Ca 0.70 -0.66 0.08 0.00 0.02 0.00 0.00 55.36 55.51 3f7b s GLN 217 Cb -0.22 -2.57 -0.05 0.00 1.00 0.00 0.00 33.01 31.17 3f7b s GLN 217 CO 0.33 0.41 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.24 3f7b s LEU 218 N -0.14 2.53 0.48 2.90 1.43 -0.59 -4.59 118.68 120.71 3f7b s LEU 218 Ca -0.00 -0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 51.89 3f7b s LEU 218 Cb -0.13 -0.74 -0.07 0.00 0.03 0.00 0.00 46.19 45.28 3f7b s LEU 218 CO 0.03 -0.13 1.26 -2.28 0.23 0.00 0.00 176.35 175.46 3f7b s HIS 219 N -2.73 2.65 0.52 0.29 5.65 -1.14 -0.51 115.29 120.02 3f7b s HIS 219 Ca 0.21 1.46 0.22 0.00 0.25 0.00 0.00 55.06 57.21 3f7b s HIS 219 Cb -0.02 -3.58 1.35 0.00 -1.18 0.00 0.00 32.58 29.15 3f7b s HIS 219 CO 0.07 -2.11 2.04 -0.09 -0.65 0.00 0.00 174.74 174.00 3f7b h ARG 220 N 1.92 0.01 0.00 2.88 2.43 -1.90 -0.50 114.38 119.22 3f7b h ARG 220 Ca -0.50 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.49 3f7b h ARG 220 Cb 1.27 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 3f7b h ARG 220 CO 0.59 0.01 -0.84 0.93 -1.51 0.00 0.00 179.97 179.15 3f7b h GLU 221 N 0.01 0.00 -0.24 0.20 3.07 -1.96 -0.92 114.58 114.74 3f7b h GLU 221 Ca 0.19 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3f7b h GLU 221 Cb 0.73 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3f7b h GLU 221 CO -0.00 0.84 0.14 1.96 -1.40 0.00 0.00 179.01 180.55 3f7b h GLN 222 N 0.00 0.33 -0.11 2.33 4.20 -1.48 -1.43 115.11 118.95 3f7b h GLN 222 Ca -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3f7b h GLN 222 Cb 1.60 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.31 3f7b h GLN 222 CO 0.11 0.27 0.04 0.82 -0.67 0.00 0.00 178.83 179.40 3f7b h ILE 223 N 0.29 1.16 -0.09 2.54 2.04 -1.28 -2.78 117.51 119.38 3f7b h ILE 223 Ca 0.08 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3f7b h ILE 223 Cb 0.04 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3f7b h ILE 223 CO -0.01 0.14 0.06 -0.07 0.00 0.00 0.00 178.15 178.26 3f7b h LEU 224 N 0.01 0.10 -2.27 1.44 3.38 -1.19 -2.25 115.31 114.53 3f7b h LEU 224 Ca 0.04 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3f7b h LEU 224 Cb 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3f7b h LEU 224 CO -0.00 0.07 0.22 0.00 0.09 0.00 0.00 178.44 178.83 3f7b h ALA 225 N 1.94 1.63 -0.07 1.53 0.00 -0.96 -1.36 119.26 121.98 3f7b h ALA 225 Ca 0.03 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3f7b h ALA 225 Cb -0.01 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3f7b h ALA 225 CO -0.01 -0.30 -0.58 0.74 0.00 0.00 0.00 179.25 179.10 3f7b h PHE 226 N 0.00 0.72 0.00 0.00 -1.00 -1.54 -1.17 116.94 113.95 3f7b h PHE 226 Ca 0.07 -0.34 0.00 0.00 2.81 0.00 0.00 57.97 60.51 3f7b h PHE 226 Cb 0.52 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.97 3f7b h PHE 226 CO 0.00 1.14 0.00 0.66 -1.61 0.00 0.00 178.31 178.50 3f7b h SER 227 N 0.09 0.00 0.43 2.17 4.64 -1.52 -2.95 113.55 116.42 3f7b h SER 227 Ca -0.05 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.99 3f7b h SER 227 Cb 1.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 3f7b h SER 227 CO 0.12 0.00 -1.78 0.00 -0.87 0.00 0.00 176.83 174.30 3f7b n GLN 227 N -2.48 0.64 -0.01 4.77 6.02 -0.58 -4.39 117.38 121.36 3f7b n GLN 227 Ca 0.05 0.22 0.11 0.00 -0.01 0.00 0.00 57.00 57.36 3f7b n GLN 227 Cb 0.43 -1.74 -0.17 0.00 1.02 0.00 0.00 30.24 29.78 3f7b n GLN 227 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3f7b n LYS 228 N -2.94 0.62 -4.49 -1.09 4.76 -0.45 -5.01 118.16 109.56 3f7b n LYS 228 Ca -0.18 -0.19 -0.33 0.00 -2.87 0.00 0.00 58.31 54.75 3f7b n LYS 228 Cb 1.02 -1.52 -0.10 0.00 -1.84 0.00 0.00 35.03 32.59 3f7b n LYS 228 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3f7b s LEU 229 N -4.42 3.21 0.13 -0.35 1.43 -1.11 -4.27 118.68 113.30 3f7b s LEU 229 Ca -0.07 -0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.02 3f7b s LEU 229 Cb 0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3f7b s LEU 229 CO 0.90 0.31 -0.19 -0.31 0.23 0.00 0.00 176.35 177.29 3f7b s TYR 230 N -0.94 1.78 -0.62 0.29 1.51 0.65 -1.05 117.35 118.96 3f7b s TYR 230 Ca 0.16 -0.45 0.25 0.00 -1.01 0.00 0.00 57.07 56.02 3f7b s TYR 230 Cb -0.11 -0.93 0.66 0.00 -0.11 0.00 0.00 41.96 41.47 3f7b s TYR 230 CO 0.06 0.26 1.72 1.88 -1.11 0.00 0.00 175.55 178.36 3f7b h TYR 231 N 3.63 0.00 -4.01 2.71 0.05 -1.47 -3.37 116.97 114.51 3f7b h TYR 231 Ca -0.44 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.82 3f7b h TYR 231 Cb 1.19 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 38.70 3f7b h TYR 231 CO 0.65 0.00 -0.82 0.16 -1.05 0.00 0.00 178.16 177.10 3f7b s ASP 232 N -5.11 2.23 0.50 3.88 -4.77 -1.26 -4.75 116.67 107.39 3f7b s ASP 232 Ca 0.09 -0.59 0.17 0.00 -3.30 0.00 0.00 52.55 48.92 3f7b s ASP 232 Cb 0.10 -0.14 1.23 0.00 -1.09 0.00 0.00 42.92 43.02 3f7b s ASP 232 CO 0.62 0.06 2.10 0.11 0.70 0.00 0.00 175.17 178.75 3f7b h LYS 233 N 4.47 0.00 0.00 2.11 6.56 -1.90 -2.33 116.57 125.48 3f7b h LYS 233 Ca -0.43 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 3f7b h LYS 233 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 3f7b h LYS 233 CO 0.42 0.08 0.00 0.93 -2.06 0.00 0.00 179.45 178.81 3f7b h GLU 236 N 0.00 0.00 -5.27 3.15 3.07 -2.00 -3.47 114.58 110.06 3f7b h GLU 236 Ca -0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 3f7b h GLU 236 Cb 0.14 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.20 3f7b h GLU 236 CO 0.01 0.00 -0.68 1.04 -1.40 0.00 0.00 179.01 177.98 3f7b n GLN 237 N -2.69 -6.09 -0.00 2.33 6.02 -0.88 -4.92 117.38 111.15 3f7b n GLN 237 Ca 0.02 0.76 0.08 0.00 -0.01 0.00 0.00 57.00 57.85 3f7b n GLN 237 Cb 0.34 -5.51 -0.11 0.00 1.02 0.00 0.00 30.24 25.98 3f7b n GLN 237 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3f7b n THR 238 N -3.93 0.00 -3.83 5.09 -2.24 -1.26 -4.89 114.28 103.22 3f7b n THR 238 Ca -0.22 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 3f7b n THR 238 Cb 0.64 0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 69.31 3f7b n THR 238 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3f7b s VAL 239 N -2.79 0.99 0.30 2.28 1.01 -1.26 -5.10 120.40 115.83 3f7b s VAL 239 Ca 0.01 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 3f7b s VAL 239 Cb 0.11 -1.36 -0.10 0.00 0.00 0.00 0.00 36.38 35.02 3f7b s VAL 239 CO 0.66 -0.13 1.43 -0.44 0.00 0.00 0.00 175.10 176.63 3f7b s SER 240 N 1.65 6.61 -0.30 3.32 0.01 -1.26 -1.34 113.70 122.38 3f7b s SER 240 Ca -0.03 2.76 -0.29 0.00 1.31 0.00 0.00 55.95 59.71 3f7b s SER 240 Cb -0.18 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.41 3f7b s SER 240 CO -0.07 -0.71 1.48 -0.32 0.41 0.00 0.00 173.24 174.04 3f7b s MET 241 N -1.04 3.73 0.08 12.44 0.00 -0.22 -4.62 119.30 129.68 3f7b s MET 241 Ca 0.56 1.33 -0.27 0.00 0.00 0.00 0.00 55.69 57.31 3f7b s MET 241 Cb -0.43 -4.00 0.08 0.00 0.00 0.00 0.00 34.83 30.49 3f7b s MET 241 CO 0.50 -1.36 0.91 -1.59 0.00 0.00 0.00 175.02 173.48 3f7b s LYS 242 N 4.68 1.03 -1.74 4.11 -2.85 -1.26 -4.04 119.74 119.67 3f7b s LYS 242 Ca 0.65 -0.49 -0.01 0.00 -1.00 0.00 0.00 55.97 55.12 3f7b s LYS 242 Cb -0.19 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 3f7b s LYS 242 CO 0.28 -0.46 0.12 -0.25 0.10 0.00 0.00 175.35 175.14 3f7b n ASP 243 N -0.37 -5.95 -3.55 0.03 8.00 0.99 -4.86 116.55 110.85 3f7b n ASP 243 Ca -0.08 -0.07 -0.41 0.00 0.71 0.00 0.00 54.79 54.95 3f7b n ASP 243 Cb 0.61 -4.92 -0.01 0.00 -0.02 0.00 0.00 41.12 36.78 3f7b n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3f7b n ASN 244 N -2.12 6.27 -3.89 -2.24 6.94 -1.23 -4.64 115.26 114.36 3f7b n ASN 244 Ca -0.22 -2.77 -0.25 0.00 -0.02 0.00 0.00 54.58 51.33 3f7b n ASN 244 Cb 0.67 -1.59 -0.17 0.00 -2.36 0.00 0.00 39.78 36.34 3f7b n ASN 244 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3f7b s VAL 245 N 2.29 0.81 0.16 3.53 -7.23 -1.26 -4.47 120.40 114.24 3f7b s VAL 245 Ca 0.56 -0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.24 3f7b s VAL 245 Cb 0.16 -0.85 -0.08 0.00 0.56 0.00 0.00 36.38 36.17 3f7b s VAL 245 CO -0.07 0.32 1.20 -0.60 -0.31 0.00 0.00 175.10 175.64 3f7b s ARG 246 N 1.51 4.48 0.88 4.82 3.52 -1.26 -4.85 118.95 128.05 3f7b s ARG 246 Ca -0.00 1.86 -0.12 0.00 -0.13 0.00 0.00 55.73 57.35 3f7b s ARG 246 Cb -0.13 -3.26 0.11 0.00 -1.56 0.00 0.00 34.95 30.11 3f7b s ARG 246 CO -0.05 -0.12 1.07 -0.35 -0.81 0.00 0.00 175.30 175.04 3f7b n PRO 247 N 2.78 -0.20 -2.10 5.12 -0.04 -1.26 -4.72 135.00 134.58 3f7b n PRO 247 Ca 0.05 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.12 3f7b n PRO 247 Cb 0.45 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.56 3f7b n PRO 247 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3f7b s LEU 248 N -5.47 4.42 0.33 1.53 1.43 -1.26 -4.38 118.68 115.29 3f7b s LEU 248 Ca 0.68 2.70 0.07 0.00 -1.03 0.00 0.00 54.13 56.56 3f7b s LEU 248 Cb -0.25 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 3f7b s LEU 248 CO 0.56 -0.55 0.30 -1.10 0.23 0.00 0.00 176.35 175.80 3f7b s GLN 249 N -1.77 2.76 0.01 1.70 -1.52 0.15 -4.97 119.66 116.02 3f7b s GLN 249 Ca 0.49 -1.27 -0.24 0.00 -1.95 0.00 0.00 55.36 52.39 3f7b s GLN 249 Cb -0.40 -2.51 -0.05 0.00 -0.22 0.00 0.00 33.01 29.83 3f7b s GLN 249 CO 0.53 0.10 0.74 1.14 -0.25 0.00 0.00 175.29 177.55 3f7b s GLN 250 N -4.01 4.46 0.27 2.91 -2.07 -1.26 -4.59 119.66 115.38 3f7b s GLN 250 Ca 0.41 1.00 -0.03 0.00 -1.82 0.00 0.00 55.36 54.92 3f7b s GLN 250 Cb -0.06 -3.38 0.39 0.00 -1.09 0.00 0.00 33.01 28.86 3f7b s GLN 250 CO 0.27 0.23 1.92 1.25 -1.32 0.00 0.00 175.29 177.64 3f7b h LEU 251 N 5.96 1.04 0.00 2.60 5.85 -1.91 -3.42 115.31 125.43 3f7b h LEU 251 Ca -0.43 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3f7b h LEU 251 Cb 1.20 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3f7b h LEU 251 CO 0.72 0.71 0.00 0.61 -0.34 0.00 0.00 178.44 180.14 3f7b n GLY 252 N -1.38 2.71 0.16 3.75 0.00 -1.26 -2.49 105.19 106.68 3f7b n GLY 252 Ca 0.13 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3f7b n GLY 252 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3f7b h GLN 253 N 0.00 0.00 -6.94 1.61 7.50 -1.91 -3.48 115.11 111.90 3f7b h GLN 253 Ca 0.00 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.59 3f7b h GLN 253 Cb 0.00 0.00 0.17 0.00 0.05 0.00 0.00 27.48 27.70 3f7b h GLN 253 CO 0.00 0.00 0.18 0.54 -1.50 0.00 0.00 178.83 178.05 3f7b n ARG 254 N -2.85 0.72 -4.37 1.46 1.74 -1.04 -5.04 116.66 107.27 3f7b n ARG 254 Ca 0.02 0.30 -0.24 0.00 -0.77 0.00 0.00 57.85 57.16 3f7b n ARG 254 Cb 0.54 -2.26 -0.09 0.00 -1.02 0.00 0.00 32.46 29.64 3f7b n ARG 254 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3f7b s THR 255 N -1.65 2.97 -0.11 0.55 -4.23 -1.26 -5.00 115.64 106.91 3f7b s THR 255 Ca 0.76 -2.13 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3f7b s THR 255 Cb -0.37 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 3f7b s THR 255 CO 0.47 -0.37 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.47 3f7b s VAL 256 N -2.42 4.07 0.38 2.29 1.01 -1.26 -4.68 120.40 119.79 3f7b s VAL 256 Ca 0.31 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.05 3f7b s VAL 256 Cb -0.05 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 3f7b s VAL 256 CO 0.18 0.56 -0.02 0.27 0.00 0.00 0.00 175.10 176.10 3f7b s ILE 257 N -0.44 2.15 0.05 2.22 -4.36 -0.57 -3.44 121.20 116.81 3f7b s ILE 257 Ca 0.07 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 3f7b s ILE 257 Cb -0.12 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 3f7b s ILE 257 CO 0.02 -0.08 -0.02 -1.59 0.24 0.00 0.00 174.94 173.51 3f7b s LYS 258 N -3.69 0.62 0.00 0.37 -2.85 -0.60 -0.06 119.74 113.53 3f7b s LYS 258 Ca 0.34 -1.20 0.31 0.00 -1.00 0.00 0.00 55.97 54.42 3f7b s LYS 258 Cb 0.06 0.22 1.70 0.00 -2.06 0.00 0.00 37.83 37.75 3f7b s LYS 258 CO 0.18 -0.12 2.11 -1.13 0.10 0.00 0.00 175.35 176.49