#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwn s LYS 3 N 0.00 2.43 0.31 4.33 1.02 -1.26 -4.94 119.74 121.62 3fwn s LYS 3 Ca 0.00 -1.02 0.07 0.00 0.02 0.00 0.00 55.97 55.05 3fwn s LYS 3 Cb 0.00 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 3fwn s LYS 3 CO 0.00 0.48 0.24 -0.65 -0.92 0.00 0.00 175.35 174.51 3fwn s GLN 4 N -2.70 2.76 0.11 1.68 1.11 0.42 -4.86 119.66 118.18 3fwn s GLN 4 Ca 0.26 -1.23 0.00 0.00 0.01 0.00 0.00 55.36 54.41 3fwn s GLN 4 Cb -0.10 -2.48 -0.21 0.00 -1.01 0.00 0.00 33.01 29.21 3fwn s GLN 4 CO 0.18 0.21 1.23 1.96 0.01 0.00 0.00 175.29 178.88 3fwn h GLN 5 N 1.36 0.17 -3.73 2.91 4.20 -1.73 -1.32 115.11 116.98 3fwn h GLN 5 Ca -0.46 -0.27 -0.16 0.00 0.06 0.00 0.00 58.65 57.82 3fwn h GLN 5 Cb 1.25 0.10 -0.22 0.00 0.30 0.00 0.00 27.48 28.91 3fwn h GLN 5 CO 0.59 1.10 -0.60 0.42 -0.67 0.00 0.00 178.83 179.67 3fwn s ILE 6 N -2.79 0.09 0.05 2.54 1.01 -1.10 -4.52 121.20 116.48 3fwn s ILE 6 Ca -0.02 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.01 3fwn s ILE 6 Cb 0.09 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 3fwn s ILE 6 CO 0.85 -0.39 -0.25 -0.83 0.00 0.00 0.00 174.94 174.32 3fwn s GLY 7 N -1.25 1.35 -0.08 6.18 0.00 -0.53 -1.20 107.32 111.78 3fwn s GLY 7 Ca -0.14 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.37 3fwn s GLY 7 CO 0.00 -1.12 -0.12 0.14 0.00 0.00 0.00 173.10 172.00 3fwn s VAL 8 N -0.81 1.19 -0.22 1.40 1.01 0.14 -0.58 120.40 122.53 3fwn s VAL 8 Ca 0.11 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3fwn s VAL 8 Cb -0.10 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3fwn s VAL 8 CO 0.02 0.38 0.00 -0.69 0.00 0.00 0.00 175.10 174.81 3fwn s VAL 9 N 0.96 3.89 0.00 2.92 1.01 -0.05 -1.74 120.40 127.39 3fwn s VAL 9 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3fwn s VAL 9 Cb -0.15 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3fwn s VAL 9 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3fwn n GLY 10 N 4.52 1.75 1.48 4.51 0.00 -0.36 -0.51 105.19 116.58 3fwn n GLY 10 Ca -0.17 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 3fwn n GLY 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fwn n MET 11 N 0.66 3.08 -0.32 1.61 0.00 -1.26 -3.62 117.12 117.26 3fwn n MET 11 Ca 0.00 -3.04 -0.07 0.00 0.00 0.00 0.00 57.70 54.60 3fwn n MET 11 Cb 0.00 -2.02 0.05 0.00 0.00 0.00 0.00 33.22 31.25 3fwn n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3fwn n ALA 12 N -0.47 -0.62 -0.14 3.04 0.00 -1.26 -4.33 120.51 116.73 3fwn n ALA 12 Ca 0.33 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 3fwn n ALA 12 Cb 1.16 -0.02 -0.02 0.00 0.00 0.00 0.00 19.45 20.57 3fwn n ALA 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fwn h VAL 13 N -1.54 0.18 -0.24 0.00 2.07 -1.97 -0.33 116.25 114.41 3fwn h VAL 13 Ca -0.10 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 3fwn h VAL 13 Cb 0.29 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3fwn h VAL 13 CO 0.07 0.00 -0.16 0.24 0.02 0.00 0.00 177.57 177.74 3fwn h MET 14 N -0.26 0.52 -0.17 1.57 0.00 -1.92 -2.82 114.93 111.87 3fwn h MET 14 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 59.70 59.62 3fwn h MET 14 Cb 0.56 -0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.14 3fwn h MET 14 CO -0.58 0.82 0.08 0.78 0.00 0.00 0.00 176.91 178.00 3fwn h GLY 15 N 0.23 0.26 1.32 8.32 0.00 -1.64 0.13 103.07 111.69 3fwn h GLY 15 Ca 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 3fwn h GLY 15 CO 0.04 0.12 0.19 0.07 0.00 0.00 0.00 176.54 176.96 3fwn h ARG 16 N 0.14 0.86 -0.14 4.80 0.11 -1.12 -1.21 114.38 117.81 3fwn h ARG 16 Ca 0.06 -0.15 -0.13 0.00 0.10 0.00 0.00 59.98 59.85 3fwn h ARG 16 Cb 0.12 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 3fwn h ARG 16 CO -0.01 0.74 -0.47 -0.91 0.10 0.00 0.00 179.97 179.42 3fwn h ASN 17 N 0.84 0.39 -0.20 0.08 2.35 -1.36 -0.98 115.58 116.70 3fwn h ASN 17 Ca 0.19 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3fwn h ASN 17 Cb 0.23 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3fwn h ASN 17 CO -0.01 0.80 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.27 3fwn h LEU 18 N 0.29 0.66 -0.53 1.61 3.38 -0.63 0.16 115.31 120.25 3fwn h LEU 18 Ca 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3fwn h LEU 18 Cb 0.94 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3fwn h LEU 18 CO 0.08 0.88 0.23 0.00 0.09 0.00 0.00 178.44 179.72 3fwn h ALA 19 N 1.17 0.68 -0.25 1.53 0.00 -0.86 -0.55 119.26 120.99 3fwn h ALA 19 Ca 0.08 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3fwn h ALA 19 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fwn h ALA 19 CO 0.05 0.27 -0.21 -0.07 0.00 0.00 0.00 179.25 179.30 3fwn h LEU 20 N 0.71 0.44 0.27 0.00 3.38 -0.92 -0.70 115.31 118.49 3fwn h LEU 20 Ca 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3fwn h LEU 20 Cb 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fwn h LEU 20 CO -0.02 0.66 -0.13 -1.13 0.09 0.00 0.00 178.44 177.91 3fwn h ASN 21 N 0.40 -0.30 -0.60 -0.43 -0.73 -0.15 -0.20 115.58 113.57 3fwn h ASN 21 Ca 0.07 -0.06 0.06 0.00 1.87 0.00 0.00 56.30 58.23 3fwn h ASN 21 Cb 0.59 0.08 -0.05 0.00 0.27 0.00 0.00 38.32 39.21 3fwn h ASN 21 CO 0.04 -0.13 0.32 0.40 -0.37 0.00 0.00 177.43 177.68 3fwn h ILE 22 N -0.46 0.94 -0.54 2.57 2.04 -0.92 -1.60 117.51 119.55 3fwn h ILE 22 Ca -0.04 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 3fwn h ILE 22 Cb 0.35 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3fwn h ILE 22 CO 0.06 0.11 0.14 -0.08 0.00 0.00 0.00 178.15 178.37 3fwn h GLU 23 N 0.59 0.82 0.00 2.37 4.22 -0.92 -1.96 114.58 119.70 3fwn h GLU 23 Ca 0.27 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.55 3fwn h GLU 23 Cb 0.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3fwn h GLU 23 CO -0.19 0.73 0.00 0.66 -2.18 0.00 0.00 179.01 178.04 3fwn h SER 24 N 0.79 0.00 -0.03 1.04 4.64 -0.01 -0.35 113.55 119.64 3fwn h SER 24 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3fwn h SER 24 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3fwn h SER 24 CO -0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3fwn n ARG 25 N -3.00 1.45 0.00 4.77 5.12 -0.74 -4.91 116.66 119.35 3fwn n ARG 25 Ca -0.02 -0.67 0.00 0.00 -1.93 0.00 0.00 57.85 55.24 3fwn n ARG 25 Cb 0.15 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 3fwn n ARG 25 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fwn n GLY 26 N 1.10 0.61 3.86 -0.13 0.00 -0.14 -5.09 105.19 105.40 3fwn n GLY 26 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3fwn n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fwn s TYR 27 N -2.00 3.42 -0.05 1.61 1.51 -1.22 -5.05 117.35 115.57 3fwn s TYR 27 Ca 0.00 1.13 -0.09 0.00 -1.01 0.00 0.00 57.07 57.10 3fwn s TYR 27 Cb 0.00 -2.49 -0.05 0.00 -0.11 0.00 0.00 41.96 39.31 3fwn s TYR 27 CO 0.00 -0.01 0.26 0.95 -1.11 0.00 0.00 175.55 175.64 3fwn s THR 28 N -2.19 5.30 -0.04 -0.71 -4.23 -1.26 -4.36 115.64 108.16 3fwn s THR 28 Ca 0.53 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.45 3fwn s THR 28 Cb -0.10 -3.54 0.02 0.00 1.34 0.00 0.00 72.50 70.22 3fwn s THR 28 CO 0.25 0.54 -0.04 -0.69 -0.54 0.00 0.00 174.62 174.14 3fwn s VAL 29 N -1.11 0.48 0.03 2.29 1.01 -0.64 -2.03 120.40 120.43 3fwn s VAL 29 Ca 0.21 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 3fwn s VAL 29 Cb -0.14 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 3fwn s VAL 29 CO 0.10 0.20 0.43 -0.44 0.00 0.00 0.00 175.10 175.40 3fwn s SER 30 N 0.79 6.80 0.10 3.32 0.01 -0.34 -0.53 113.70 123.84 3fwn s SER 30 Ca -0.10 0.97 0.07 0.00 1.31 0.00 0.00 55.95 58.20 3fwn s SER 30 Cb -0.13 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 3fwn s SER 30 CO 0.00 0.27 -0.18 0.27 0.41 0.00 0.00 173.24 174.01 3fwn s ILE 31 N -1.18 1.49 -0.07 1.44 -4.36 -0.21 -0.68 121.20 117.63 3fwn s ILE 31 Ca 0.27 -1.49 -0.13 0.00 -0.26 0.00 0.00 60.65 59.04 3fwn s ILE 31 Cb -0.16 -1.40 0.03 0.00 1.25 0.00 0.00 42.46 42.17 3fwn s ILE 31 CO 0.15 -0.15 0.32 0.12 0.24 0.00 0.00 174.94 175.63 3fwn s PHE 32 N -1.29 -0.27 -0.06 1.37 5.36 -0.71 -1.29 117.98 121.09 3fwn s PHE 32 Ca 0.04 0.58 -0.06 0.00 -0.96 0.00 0.00 56.93 56.54 3fwn s PHE 32 Cb -0.10 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.71 3fwn s PHE 32 CO 0.04 -0.28 0.15 1.21 -1.46 0.00 0.00 175.22 174.88 3fwn s ASN 33 N -0.58 -0.15 0.21 6.13 2.47 -1.26 -1.22 114.94 120.54 3fwn s ASN 33 Ca -0.07 0.29 -0.09 0.00 0.42 0.00 0.00 52.86 53.41 3fwn s ASN 33 Cb -0.04 0.31 0.24 0.00 -1.45 0.00 0.00 41.25 40.31 3fwn s ASN 33 CO 0.02 -0.07 1.83 -0.09 -3.72 0.00 0.00 177.10 175.07 3fwn h ARG 34 N 5.81 0.76 -5.88 0.43 2.43 -2.00 -3.25 114.38 112.68 3fwn h ARG 34 Ca -0.25 -0.05 -0.59 0.00 -0.81 0.00 0.00 59.98 58.28 3fwn h ARG 34 Cb 1.20 -0.17 -0.11 0.00 -0.42 0.00 0.00 29.97 30.46 3fwn h ARG 34 CO 0.41 0.50 0.94 -1.12 -1.51 0.00 0.00 179.97 179.19 3fwn s SER 35 N -5.67 6.27 0.57 -3.80 0.01 -1.26 -4.85 113.70 104.97 3fwn s SER 35 Ca -0.13 -0.95 0.26 0.00 1.31 0.00 0.00 55.95 56.44 3fwn s SER 35 Cb 0.16 -2.50 1.60 0.00 0.21 0.00 0.00 66.02 65.50 3fwn s SER 35 CO 0.77 -1.58 2.15 0.03 0.41 0.00 0.00 173.24 175.02 3fwn h ARG 36 N 9.72 0.00 0.00 12.44 3.08 -1.97 -1.21 114.38 136.44 3fwn h ARG 36 Ca -0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3fwn h ARG 36 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 3fwn h ARG 36 CO 1.26 0.00 -0.02 1.05 -1.07 0.00 0.00 179.97 181.18 3fwn h GLU 37 N 0.00 0.00 -0.02 0.04 9.09 -1.89 -2.82 114.58 118.98 3fwn h GLU 37 Ca 0.06 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.27 3fwn h GLU 37 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 3fwn h GLU 37 CO -0.00 0.02 -0.85 0.87 0.05 0.00 0.00 179.01 179.10 3fwn h LYS 38 N 0.00 0.32 -0.22 1.06 1.57 -1.59 -2.57 116.57 115.14 3fwn h LYS 38 Ca -0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3fwn h LYS 38 Cb 0.59 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3fwn h LYS 38 CO 0.00 1.00 0.15 1.15 -0.57 0.00 0.00 179.45 181.18 3fwn h THR 39 N 0.19 1.06 -0.72 -0.16 2.02 -1.61 -1.77 112.91 111.92 3fwn h THR 39 Ca -0.05 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.08 3fwn h THR 39 Cb 1.46 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.55 3fwn h THR 39 CO 0.14 0.06 0.40 -0.33 0.37 0.00 0.00 175.52 176.16 3fwn h GLU 40 N 0.30 0.69 -0.57 6.66 5.08 -1.41 -2.01 114.58 123.32 3fwn h GLU 40 Ca 0.08 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3fwn h GLU 40 Cb -0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3fwn h GLU 40 CO -0.02 0.45 0.14 1.49 -1.00 0.00 0.00 179.01 180.08 3fwn h GLU 41 N 0.71 0.91 -0.96 2.33 4.81 -1.22 -1.58 114.58 119.57 3fwn h GLU 41 Ca 0.34 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3fwn h GLU 41 Cb 0.27 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 3fwn h GLU 41 CO -0.22 0.84 0.60 0.28 -0.73 0.00 0.00 179.01 179.78 3fwn h VAL 42 N 0.81 1.26 -0.38 0.32 2.07 -0.69 -0.63 116.25 119.01 3fwn h VAL 42 Ca 0.18 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3fwn h VAL 42 Cb 0.34 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3fwn h VAL 42 CO 0.00 0.26 0.12 0.40 0.02 0.00 0.00 177.57 178.37 3fwn h ILE 43 N 1.32 1.22 -0.47 4.57 1.08 -1.19 -2.30 117.51 121.73 3fwn h ILE 43 Ca 0.35 -0.71 -0.05 0.00 -0.39 0.00 0.00 64.86 64.06 3fwn h ILE 43 Cb -0.09 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 3fwn h ILE 43 CO -0.07 0.25 0.10 0.00 -0.69 0.00 0.00 178.15 177.74 3fwn h ALA 44 N 0.96 1.30 0.00 1.87 0.00 -0.88 -2.28 119.26 120.23 3fwn h ALA 44 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fwn h ALA 44 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fwn h ALA 44 CO -0.00 0.49 -0.06 0.39 0.00 0.00 0.00 179.25 180.07 3fwn n GLU 45 N -4.29 0.14 -2.74 0.00 1.02 -0.28 -4.22 120.64 110.26 3fwn n GLU 45 Ca 0.03 0.10 -0.21 0.00 -0.02 0.00 0.00 57.16 57.06 3fwn n GLU 45 Cb 0.22 -1.65 -0.01 0.00 -0.02 0.00 0.00 31.44 29.98 3fwn n GLU 45 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fwn n ASN 46 N -1.88 3.29 -4.73 1.62 4.13 -0.86 -5.07 115.26 111.76 3fwn n ASN 46 Ca 0.06 -3.36 -0.39 0.00 1.68 0.00 0.00 54.58 52.56 3fwn n ASN 46 Cb 0.39 -0.53 0.03 0.00 -1.54 0.00 0.00 39.78 38.14 3fwn n ASN 46 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3fwn n PRO 47 N -0.21 1.77 -0.44 3.52 -0.04 -1.23 -2.29 135.00 136.09 3fwn n PRO 47 Ca 0.28 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 3fwn n PRO 47 Cb 0.63 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3fwn n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fwn n GLY 48 N 0.77 1.10 3.81 0.55 0.00 -1.26 -5.03 105.19 105.13 3fwn n GLY 48 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3fwn n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwn s LYS 49 N -0.39 3.11 -1.46 1.61 -0.14 -0.97 -5.00 119.74 116.50 3fwn s LYS 49 Ca 0.00 -0.52 -0.09 0.00 -1.36 0.00 0.00 55.97 54.00 3fwn s LYS 49 Cb 0.00 -2.87 0.03 0.00 -1.68 0.00 0.00 37.83 33.31 3fwn s LYS 49 CO 0.00 0.62 2.56 1.63 -0.76 0.00 0.00 175.35 179.40 3fwn n LYS 50 N 0.79 3.95 -4.30 1.68 5.02 -1.26 -4.86 118.16 119.18 3fwn n LYS 50 Ca -0.10 -2.85 -0.34 0.00 -2.02 0.00 0.00 58.31 52.99 3fwn n LYS 50 Cb 0.52 -2.80 -0.10 0.00 -0.02 0.00 0.00 35.03 32.63 3fwn n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fwn s LEU 51 N -0.52 3.51 -0.14 -0.35 1.43 -1.26 -1.62 118.68 119.74 3fwn s LEU 51 Ca 0.58 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 3fwn s LEU 51 Cb 0.17 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3fwn s LEU 51 CO -0.07 0.26 -0.17 -0.69 0.23 0.00 0.00 176.35 175.91 3fwn s VAL 52 N -0.17 1.74 0.26 -1.59 1.01 0.31 -4.98 120.40 116.98 3fwn s VAL 52 Ca 0.05 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 3fwn s VAL 52 Cb -0.13 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 3fwn s VAL 52 CO 0.02 0.49 0.80 -2.16 0.00 0.00 0.00 175.10 174.24 3fwn s PRO 53 N 1.12 4.34 0.06 2.72 0.04 -1.26 -1.05 135.00 140.98 3fwn s PRO 53 Ca -0.02 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.08 3fwn s PRO 53 Cb -0.14 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 3fwn s PRO 53 CO -0.06 0.34 -0.16 0.71 0.04 0.00 0.00 177.00 177.88 3fwn s TYR 54 N -1.58 1.38 0.00 0.56 2.02 -0.41 -4.91 117.35 114.41 3fwn s TYR 54 Ca 0.46 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 3fwn s TYR 54 Cb -0.17 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.59 3fwn s TYR 54 CO 0.22 0.07 0.77 0.66 -1.57 0.00 0.00 175.55 175.69 3fwn n TYR 55 N 1.61 0.00 -3.99 2.71 4.01 -1.26 -4.55 117.16 115.68 3fwn n TYR 55 Ca -0.19 -0.27 -0.09 0.00 -0.16 0.00 0.00 57.90 57.18 3fwn n TYR 55 Cb 0.54 -0.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.43 3fwn n TYR 55 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3fwn s THR 56 N -0.55 0.16 0.22 -0.72 -4.23 -1.26 -5.06 115.64 104.20 3fwn s THR 56 Ca 0.00 -0.95 -0.06 0.00 -1.18 0.00 0.00 61.69 59.50 3fwn s THR 56 Cb 0.00 -0.33 0.12 0.00 1.34 0.00 0.00 72.50 73.63 3fwn s THR 56 CO 0.00 -0.50 1.74 0.58 -0.54 0.00 0.00 174.62 175.90 3fwn h VAL 57 N 4.59 1.25 -0.43 2.29 2.07 -1.96 -1.88 116.25 122.18 3fwn h VAL 57 Ca -0.32 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.27 3fwn h VAL 57 Cb 1.21 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3fwn h VAL 57 CO 0.42 0.36 0.20 0.50 0.02 0.00 0.00 177.57 179.07 3fwn h LYS 58 N 0.98 0.40 -0.28 1.57 3.64 -1.97 0.19 116.57 121.10 3fwn h LYS 58 Ca 0.20 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.41 3fwn h LYS 58 Cb 0.38 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3fwn h LYS 58 CO 0.01 0.26 -0.44 0.93 -2.27 0.00 0.00 179.45 177.94 3fwn h GLU 59 N 0.41 0.71 -0.08 1.90 5.08 -1.95 -1.00 114.58 119.64 3fwn h GLU 59 Ca 0.19 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3fwn h GLU 59 Cb 0.12 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3fwn h GLU 59 CO -0.15 1.01 -0.06 0.35 -1.00 0.00 0.00 179.01 179.16 3fwn h PHE 60 N 0.57 -0.15 -0.68 4.33 3.57 -0.90 -1.61 116.94 122.07 3fwn h PHE 60 Ca 0.04 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3fwn h PHE 60 Cb 0.99 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 3fwn h PHE 60 CO 0.05 -0.10 0.15 0.28 -2.23 0.00 0.00 178.31 176.46 3fwn h VAL 61 N -0.07 1.26 0.00 1.41 2.07 -0.77 -2.62 116.25 117.53 3fwn h VAL 61 Ca 0.06 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3fwn h VAL 61 Cb 0.15 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3fwn h VAL 61 CO -0.13 0.37 0.00 -0.33 0.02 0.00 0.00 177.57 177.50 3fwn h GLU 62 N 1.03 0.00 0.00 1.57 5.08 -0.99 -2.52 114.58 118.75 3fwn h GLU 62 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3fwn h GLU 62 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3fwn h GLU 62 CO 0.01 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.89 3fwn n SER 63 N -2.99 0.00 -4.86 1.42 3.41 -0.62 -4.85 113.62 105.12 3fwn n SER 63 Ca 0.00 -0.19 -0.36 0.00 -0.26 0.00 0.00 58.87 58.05 3fwn n SER 63 Cb 0.25 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 3fwn n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fwn s LEU 64 N -2.47 4.30 0.40 1.04 1.43 -0.95 -0.44 118.68 121.98 3fwn s LEU 64 Ca 0.26 0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 53.51 3fwn s LEU 64 Cb 0.17 -2.08 -0.10 0.00 0.03 0.00 0.00 46.19 44.20 3fwn s LEU 64 CO 0.36 0.39 1.41 -0.62 0.23 0.00 0.00 176.35 178.13 3fwn n GLU 65 N 1.91 2.38 -4.08 1.70 1.02 -0.50 -4.86 120.64 118.22 3fwn n GLU 65 Ca -0.19 0.84 -0.34 0.00 -0.02 0.00 0.00 57.16 57.45 3fwn n GLU 65 Cb 0.55 -2.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.33 3fwn n GLU 65 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3fwn s THR 66 N -1.14 4.88 0.29 2.62 -4.23 -1.26 -3.03 115.64 113.77 3fwn s THR 66 Ca 0.57 -0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 60.51 3fwn s THR 66 Cb -0.49 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.05 3fwn s THR 66 CO 0.61 0.41 1.32 -2.84 -0.54 0.00 0.00 174.62 173.58 3fwn s PRO 67 N -1.57 4.36 0.50 3.99 0.02 -1.26 -5.10 135.00 135.94 3fwn s PRO 67 Ca 0.21 2.18 -0.19 0.00 0.02 0.00 0.00 61.00 63.22 3fwn s PRO 67 Cb -0.12 -3.10 -0.08 0.00 0.02 0.00 0.00 34.50 31.22 3fwn s PRO 67 CO 0.12 -0.21 1.03 1.03 -0.33 0.00 0.00 177.00 178.63 3fwn s ARG 68 N -1.28 3.79 -0.23 5.54 0.52 -1.17 -4.85 118.95 121.28 3fwn s ARG 68 Ca 0.52 1.28 0.01 0.00 -0.52 0.00 0.00 55.73 57.02 3fwn s ARG 68 Cb -0.39 -2.10 0.05 0.00 0.52 0.00 0.00 34.95 33.03 3fwn s ARG 68 CO 0.48 -0.43 -0.08 1.03 0.02 0.00 0.00 175.30 176.32 3fwn s ARG 69 N -3.41 1.89 -0.15 3.54 3.00 -1.26 0.07 118.95 122.63 3fwn s ARG 69 Ca 0.65 -1.00 0.01 0.00 0.00 0.00 0.00 55.73 55.39 3fwn s ARG 69 Cb -0.15 -2.58 0.02 0.00 0.00 0.00 0.00 34.95 32.24 3fwn s ARG 69 CO 0.22 -0.53 -0.15 0.42 0.00 0.00 0.00 175.30 175.26 3fwn s ILE 70 N 1.34 1.66 -0.24 1.52 1.01 -0.26 -1.46 121.20 124.77 3fwn s ILE 70 Ca -0.05 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 3fwn s ILE 70 Cb -0.18 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3fwn s ILE 70 CO -0.07 0.47 0.28 -0.22 0.00 0.00 0.00 174.94 175.41 3fwn s LEU 71 N 1.39 4.09 -0.19 2.97 2.96 0.26 -0.42 118.68 129.74 3fwn s LEU 71 Ca 0.04 0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 54.11 3fwn s LEU 71 Cb -0.13 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 3fwn s LEU 71 CO -0.10 -0.05 0.09 -0.76 -1.32 0.00 0.00 176.35 174.21 3fwn s LEU 72 N 1.47 3.96 -0.52 -0.68 1.02 0.39 -0.87 118.68 123.45 3fwn s LEU 72 Ca 0.13 0.13 0.07 0.00 0.02 0.00 0.00 54.13 54.48 3fwn s LEU 72 Cb -0.15 -2.01 0.29 0.00 0.02 0.00 0.00 46.19 44.34 3fwn s LEU 72 CO 0.08 0.17 0.73 0.23 0.02 0.00 0.00 176.35 177.58 3fwn n MET 73 N 3.58 1.97 -4.29 1.70 2.81 0.33 -0.78 117.12 122.45 3fwn n MET 73 Ca -0.16 -4.14 -0.24 0.00 -1.81 0.00 0.00 57.70 51.35 3fwn n MET 73 Cb 0.52 -1.90 -0.08 0.00 -0.71 0.00 0.00 33.22 31.06 3fwn n MET 73 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3fwn s VAL 74 N -2.58 3.42 0.24 2.03 1.01 -1.26 -4.47 120.40 118.79 3fwn s VAL 74 Ca 0.41 -1.85 -0.31 0.00 0.00 0.00 0.00 61.98 60.23 3fwn s VAL 74 Cb 0.21 -2.80 -0.14 0.00 0.00 0.00 0.00 36.38 33.65 3fwn s VAL 74 CO -0.08 -0.32 1.19 1.17 0.00 0.00 0.00 175.10 177.07 3fwn n LYS 75 N -0.70 1.52 -1.81 2.72 4.81 -1.26 -4.70 118.16 118.74 3fwn n LYS 75 Ca -0.07 0.54 -0.39 0.00 -0.87 0.00 0.00 58.31 57.51 3fwn n LYS 75 Cb 0.58 -2.04 0.03 0.00 0.02 0.00 0.00 35.03 33.61 3fwn n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3fwn s ALA 76 N -0.48 3.05 0.00 3.14 0.00 -1.26 -1.96 121.76 124.24 3fwn s ALA 76 Ca 0.66 1.39 0.00 0.00 0.00 0.00 0.00 51.96 54.01 3fwn s ALA 76 Cb -0.73 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 18.82 3fwn s ALA 76 CO 0.55 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.47 3fwn n GLY 77 N 0.64 0.82 0.25 0.00 0.00 -1.26 -4.45 105.19 101.19 3fwn n GLY 77 Ca 0.07 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 44.92 3fwn n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwn h ALA 78 N 0.00 0.78 -0.34 4.61 0.00 -2.00 -2.20 119.26 120.12 3fwn h ALA 78 Ca 0.00 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3fwn h ALA 78 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3fwn h ALA 78 CO 0.00 -0.33 0.08 0.78 0.00 0.00 0.00 179.25 179.78 3fwn h GLY 79 N 0.24 0.40 1.06 0.00 0.00 -1.78 0.11 103.07 103.09 3fwn h GLY 79 Ca 0.36 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.55 3fwn h GLY 79 CO -0.47 -0.01 -0.05 -0.84 0.00 0.00 0.00 176.54 175.17 3fwn h THR 80 N 0.20 1.27 -0.93 4.70 2.02 -0.90 -0.97 112.91 118.30 3fwn h THR 80 Ca 0.16 -1.19 0.01 0.00 0.77 0.00 0.00 66.41 66.16 3fwn h THR 80 Cb 0.16 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 3fwn h THR 80 CO -0.19 0.42 0.62 0.44 0.37 0.00 0.00 175.52 177.17 3fwn h ASP 81 N 0.86 1.07 -0.40 4.18 3.32 -0.90 -1.07 116.42 123.49 3fwn h ASP 81 Ca 0.15 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 3fwn h ASP 81 Cb 0.61 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3fwn h ASP 81 CO 0.04 0.78 -0.20 0.00 -1.72 0.00 0.00 179.24 178.14 3fwn h ALA 82 N 1.41 0.56 -0.50 3.45 0.00 -0.42 -0.76 119.26 123.00 3fwn h ALA 82 Ca 0.34 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3fwn h ALA 82 Cb -0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3fwn h ALA 82 CO -0.07 0.52 0.14 0.00 0.00 0.00 0.00 179.25 179.84 3fwn h ALA 83 N 0.81 0.66 -0.42 0.00 0.00 -0.88 0.11 119.26 119.54 3fwn h ALA 83 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3fwn h ALA 83 Cb 0.76 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3fwn h ALA 83 CO 0.06 0.33 0.08 0.82 0.00 0.00 0.00 179.25 180.54 3fwn h ILE 84 N 0.68 1.24 -0.07 0.00 2.04 -1.09 -1.57 117.51 118.75 3fwn h ILE 84 Ca 0.16 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 3fwn h ILE 84 Cb 0.30 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3fwn h ILE 84 CO -0.00 0.30 -0.13 0.44 0.00 0.00 0.00 178.15 178.75 3fwn h ASP 85 N 0.55 0.09 -0.13 1.72 3.32 -0.82 -1.96 116.42 119.20 3fwn h ASP 85 Ca 0.13 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 3fwn h ASP 85 Cb 0.35 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3fwn h ASP 85 CO 0.01 0.24 -0.53 0.28 -1.72 0.00 0.00 179.24 177.51 3fwn h SER 86 N 0.10 0.78 -0.07 6.45 0.02 -0.63 -3.25 113.55 116.95 3fwn h SER 86 Ca 0.02 -0.41 -0.16 0.00 -0.84 0.00 0.00 61.79 60.40 3fwn h SER 86 Cb 0.30 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3fwn h SER 86 CO 0.02 1.16 -0.51 -0.07 -1.14 0.00 0.00 176.83 176.30 3fwn h LEU 87 N 0.55 0.71 -0.74 5.07 3.38 -0.80 -3.38 115.31 120.09 3fwn h LEU 87 Ca 0.02 -0.36 0.14 0.00 0.09 0.00 0.00 57.88 57.76 3fwn h LEU 87 Cb 1.10 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 3fwn h LEU 87 CO 0.11 1.09 -0.27 0.50 0.09 0.00 0.00 178.44 179.96 3fwn h LYS 88 N 0.50 -0.06 -0.01 1.13 3.64 -1.40 -0.73 116.57 119.65 3fwn h LYS 88 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3fwn h LYS 88 Cb 1.06 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3fwn h LYS 88 CO 0.10 -0.04 0.02 -1.00 -2.27 0.00 0.00 179.45 176.26 3fwn h PRO 89 N -0.06 0.00 0.00 1.90 0.13 -1.77 -1.76 132.00 130.44 3fwn h PRO 89 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 3fwn h PRO 89 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 3fwn h PRO 89 CO -0.78 0.00 -0.79 0.66 -0.23 0.00 0.00 178.00 176.86 3fwn n TYR 90 N -3.31 0.37 -1.77 1.56 4.01 -0.29 -4.98 117.16 112.75 3fwn n TYR 90 Ca -0.03 0.11 -0.30 0.00 -0.16 0.00 0.00 57.90 57.52 3fwn n TYR 90 Cb 0.09 -0.51 0.05 0.00 -0.31 0.00 0.00 39.34 38.66 3fwn n TYR 90 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fwn s LEU 91 N -3.95 2.91 0.10 7.72 1.43 -0.67 -4.92 118.68 121.31 3fwn s LEU 91 Ca 0.06 1.28 0.04 0.00 -1.03 0.00 0.00 54.13 54.48 3fwn s LEU 91 Cb 0.14 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 3fwn s LEU 91 CO 0.75 -1.42 0.05 -1.81 0.23 0.00 0.00 176.35 174.16 3fwn s ASP 92 N -4.16 5.29 0.40 2.29 1.01 -1.26 -5.06 116.67 115.17 3fwn s ASP 92 Ca 0.58 -0.11 -0.26 0.00 0.71 0.00 0.00 52.55 53.47 3fwn s ASP 92 Cb -0.12 -1.34 -0.11 0.00 1.01 0.00 0.00 42.92 42.36 3fwn s ASP 92 CO 0.53 0.16 1.30 0.29 0.21 0.00 0.00 175.17 177.66 3fwn n LYS 93 N 0.38 2.08 0.00 8.23 4.76 -1.26 -1.65 118.16 130.69 3fwn n LYS 93 Ca -0.09 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 3fwn n LYS 93 Cb 0.52 -2.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.31 3fwn n LYS 93 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fwn n GLY 94 N 0.75 2.23 3.72 0.72 0.00 0.20 -5.02 105.19 107.80 3fwn n GLY 94 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3fwn n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fwn s ASP 95 N -1.60 4.21 -0.21 1.61 1.01 -0.66 -4.48 116.67 116.55 3fwn s ASP 95 Ca 0.00 2.30 -0.03 0.00 0.71 0.00 0.00 52.55 55.53 3fwn s ASP 95 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 3fwn s ASP 95 CO 0.00 -2.25 -0.06 -0.63 0.21 0.00 0.00 175.17 172.44 3fwn s ILE 96 N -2.07 3.28 -0.19 0.77 1.01 0.11 -0.84 121.20 123.27 3fwn s ILE 96 Ca 0.73 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 3fwn s ILE 96 Cb -0.28 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.71 3fwn s ILE 96 CO 0.46 0.44 -0.10 -0.63 0.00 0.00 0.00 174.94 175.12 3fwn s ILE 97 N 1.31 3.04 -0.26 2.92 1.01 -0.25 -1.10 121.20 127.87 3fwn s ILE 97 Ca 0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 3fwn s ILE 97 Cb -0.14 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.02 3fwn s ILE 97 CO -0.03 0.47 -0.04 -0.63 0.00 0.00 0.00 174.94 174.71 3fwn s ILE 98 N 1.13 2.93 -0.50 2.92 1.01 0.44 -1.30 121.20 127.83 3fwn s ILE 98 Ca 0.01 -1.08 -0.19 0.00 0.00 0.00 0.00 60.65 59.39 3fwn s ILE 98 Cb -0.14 -2.53 0.05 0.00 0.01 0.00 0.00 42.46 39.85 3fwn s ILE 98 CO -0.03 0.14 0.61 -0.62 0.00 0.00 0.00 174.94 175.04 3fwn s ASP 99 N 1.32 6.23 0.00 3.58 2.15 0.16 -0.46 116.67 129.64 3fwn s ASP 99 Ca -0.01 -0.88 0.19 0.00 0.43 0.00 0.00 52.55 52.29 3fwn s ASP 99 Cb -0.17 -2.29 0.52 0.00 -0.30 0.00 0.00 42.92 40.69 3fwn s ASP 99 CO -0.04 -0.86 1.44 0.61 -0.17 0.00 0.00 175.17 176.15 3fwn n GLY 100 N 5.16 1.52 3.91 2.66 0.00 0.04 -0.55 105.19 117.93 3fwn n GLY 100 Ca -0.06 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 3fwn n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fwn s GLY 101 N -1.17 1.69 -1.42 -0.02 0.00 -1.22 -4.15 107.32 101.04 3fwn s GLY 101 Ca 0.38 -0.95 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 3fwn s GLY 101 CO 0.27 -0.31 2.25 0.70 0.00 0.00 0.00 173.10 176.02 3fwn n ASN 102 N -3.58 5.44 -4.76 1.64 3.02 -1.26 -4.75 115.26 111.01 3fwn n ASN 102 Ca 0.12 -2.92 -0.40 0.00 -0.03 0.00 0.00 54.58 51.36 3fwn n ASN 102 Cb 0.60 -1.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.15 3fwn n ASN 102 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3fwn s THR 103 N 1.70 4.19 0.22 3.41 2.01 -1.26 -4.72 115.64 121.19 3fwn s THR 103 Ca 0.49 1.93 -0.31 0.00 0.31 0.00 0.00 61.69 64.11 3fwn s THR 103 Cb 0.14 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.30 3fwn s THR 103 CO -0.06 0.48 1.55 0.12 -0.69 0.00 0.00 174.62 176.02 3fwn s PHE 104 N -1.20 2.97 0.51 4.92 5.36 -1.26 -4.84 117.98 124.44 3fwn s PHE 104 Ca 0.40 0.76 0.19 0.00 -0.96 0.00 0.00 56.93 57.32 3fwn s PHE 104 Cb -0.24 -3.94 1.27 0.00 -0.34 0.00 0.00 43.02 39.76 3fwn s PHE 104 CO 0.29 -3.30 2.05 0.27 -1.46 0.00 0.00 175.22 173.07 3fwn h PHE 105 N 5.84 0.10 -0.14 10.12 -0.00 -1.88 0.23 116.94 131.22 3fwn h PHE 105 Ca -0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.44 3fwn h PHE 105 Cb 1.21 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 37.12 3fwn h PHE 105 CO 0.62 0.05 -0.29 1.96 -0.00 0.00 0.00 178.31 180.65 3fwn h GLN 106 N 0.09 0.26 -0.60 6.09 1.08 -1.93 -0.85 115.11 119.25 3fwn h GLN 106 Ca 0.16 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 3fwn h GLN 106 Cb 0.52 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 3fwn h GLN 106 CO -0.02 0.53 0.14 -0.44 -0.95 0.00 0.00 178.83 178.10 3fwn h ASP 107 N 0.23 0.89 -0.04 1.46 3.32 -1.32 -1.85 116.42 119.10 3fwn h ASP 107 Ca 0.03 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 56.79 3fwn h ASP 107 Cb 0.64 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3fwn h ASP 107 CO 0.05 0.87 -0.36 0.74 -1.72 0.00 0.00 179.24 178.82 3fwn h THR 108 N 0.90 1.29 -0.49 0.35 2.02 -1.14 0.32 112.91 116.16 3fwn h THR 108 Ca 0.19 -1.48 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 3fwn h THR 108 Cb 0.33 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 3fwn h THR 108 CO 0.00 0.47 0.18 0.40 0.37 0.00 0.00 175.52 176.94 3fwn h ILE 109 N 0.45 1.22 -0.23 3.11 2.04 -0.81 0.13 117.51 123.41 3fwn h ILE 109 Ca 0.05 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3fwn h ILE 109 Cb 0.83 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3fwn h ILE 109 CO 0.07 0.26 0.03 -0.09 0.00 0.00 0.00 178.15 178.41 3fwn h ARG 110 N 0.66 0.40 -0.74 2.37 2.43 -1.02 -2.13 114.38 116.34 3fwn h ARG 110 Ca 0.16 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3fwn h ARG 110 Cb 0.22 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3fwn h ARG 110 CO -0.01 0.55 0.28 -0.09 -1.51 0.00 0.00 179.97 179.18 3fwn h ARG 111 N 0.19 1.12 -0.80 0.20 2.43 -0.80 -0.47 114.38 116.24 3fwn h ARG 111 Ca 0.07 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3fwn h ARG 111 Cb 0.35 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3fwn h ARG 111 CO 0.01 0.93 0.43 -0.97 -1.51 0.00 0.00 179.97 178.86 3fwn h ASN 112 N 1.08 1.00 -0.19 -3.80 -0.00 -0.64 0.22 115.58 113.24 3fwn h ASN 112 Ca 0.24 -0.09 -0.05 0.00 -0.00 0.00 0.00 56.30 56.41 3fwn h ASN 112 Cb 0.24 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.30 3fwn h ASN 112 CO -0.02 0.81 -0.07 -0.09 -0.00 0.00 0.00 177.43 178.06 3fwn h ARG 113 N 1.13 0.39 0.05 6.67 2.43 -0.68 -1.18 114.38 123.18 3fwn h ARG 113 Ca 0.28 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3fwn h ARG 113 Cb 0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3fwn h ARG 113 CO -0.04 0.67 -0.02 0.93 -1.51 0.00 0.00 179.97 179.99 3fwn h GLU 114 N 0.09 -0.06 -0.21 0.20 5.08 -0.74 -1.95 114.58 116.98 3fwn h GLU 114 Ca 0.05 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3fwn h GLU 114 Cb 0.55 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3fwn h GLU 114 CO 0.02 0.22 -0.36 -0.07 -1.00 0.00 0.00 179.01 177.83 3fwn h LEU 115 N -0.35 0.48 -0.66 1.33 3.38 -0.64 -1.98 115.31 116.87 3fwn h LEU 115 Ca -0.01 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 3fwn h LEU 115 Cb 0.32 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3fwn h LEU 115 CO 0.01 0.80 0.11 0.28 0.09 0.00 0.00 178.44 179.73 3fwn h SER 116 N 0.39 1.04 0.21 -0.43 0.02 -1.17 -0.76 113.55 112.84 3fwn h SER 116 Ca 0.04 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 3fwn h SER 116 Cb 0.81 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3fwn h SER 116 CO 0.07 1.03 -0.22 0.00 -1.14 0.00 0.00 176.83 176.57 3fwn h ALA 117 N 1.04 1.62 -0.00 3.77 0.00 -0.95 -1.47 119.26 123.27 3fwn h ALA 117 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fwn h ALA 117 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3fwn h ALA 117 CO 0.01 0.29 -0.03 0.39 0.00 0.00 0.00 179.25 179.91 3fwn n GLU 118 N -4.27 0.77 -0.38 0.00 1.02 -0.78 -4.91 120.64 112.09 3fwn n GLU 118 Ca -0.02 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 3fwn n GLU 118 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3fwn n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fwn n GLY 119 N 1.18 0.79 3.96 0.62 0.00 -0.55 -4.90 105.19 106.29 3fwn n GLY 119 Ca 0.18 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3fwn n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fwn s PHE 120 N -2.00 3.47 -0.36 1.61 0.40 -0.34 -0.62 117.98 120.14 3fwn s PHE 120 Ca 0.00 0.13 -0.15 0.00 -0.60 0.00 0.00 56.93 56.31 3fwn s PHE 120 Cb 0.00 -1.70 -0.00 0.00 0.51 0.00 0.00 43.02 41.83 3fwn s PHE 120 CO 0.00 0.33 0.33 -0.80 0.70 0.00 0.00 175.22 175.78 3fwn s ASN 121 N -3.95 6.14 -0.02 1.36 0.01 -0.02 -4.16 114.94 114.30 3fwn s ASN 121 Ca 0.36 -0.44 0.05 0.00 -0.71 0.00 0.00 52.86 52.12 3fwn s ASN 121 Cb -0.09 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 3fwn s ASN 121 CO 0.31 -0.36 -0.16 0.12 -1.51 0.00 0.00 177.10 175.50 3fwn s PHE 122 N 1.91 2.64 -0.08 2.20 5.36 -1.26 -1.10 117.98 127.66 3fwn s PHE 122 Ca 0.09 -0.20 -0.00 0.00 -0.96 0.00 0.00 56.93 55.86 3fwn s PHE 122 Cb -0.17 -1.57 0.02 0.00 -0.34 0.00 0.00 43.02 40.96 3fwn s PHE 122 CO 0.11 0.19 -0.04 0.42 -1.46 0.00 0.00 175.22 174.45 3fwn s ILE 123 N -0.79 0.64 -0.31 3.12 -1.09 -0.42 -4.42 121.20 117.94 3fwn s ILE 123 Ca 0.13 -0.09 -0.12 0.00 -2.23 0.00 0.00 60.65 58.33 3fwn s ILE 123 Cb -0.11 -0.71 -0.03 0.00 -1.58 0.00 0.00 42.46 40.03 3fwn s ILE 123 CO 0.02 0.29 0.22 -0.83 -1.23 0.00 0.00 174.94 173.41 3fwn s GLY 124 N 1.53 1.95 -0.01 6.18 0.00 -0.81 -0.66 107.32 115.50 3fwn s GLY 124 Ca -0.01 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.51 3fwn s GLY 124 CO -0.04 0.73 -0.13 -1.08 0.00 0.00 0.00 173.10 172.58 3fwn s THR 125 N 1.75 1.06 0.46 0.90 -1.32 0.28 -0.98 115.64 117.79 3fwn s THR 125 Ca 0.07 -0.57 -0.20 0.00 -1.21 0.00 0.00 61.69 59.77 3fwn s THR 125 Cb -0.17 -0.89 -0.10 0.00 -1.51 0.00 0.00 72.50 69.84 3fwn s THR 125 CO 0.11 0.30 0.98 -0.83 -2.21 0.00 0.00 174.62 172.97 3fwn s GLY 126 N -0.29 2.39 -0.05 6.08 0.00 -0.49 -4.10 107.32 110.87 3fwn s GLY 126 Ca 0.05 0.44 -0.00 0.00 0.00 0.00 0.00 44.72 45.21 3fwn s GLY 126 CO -0.00 0.73 -0.01 0.14 0.00 0.00 0.00 173.10 173.95 3fwn s VAL 127 N -2.17 0.36 -0.01 1.40 1.01 -1.26 -1.02 120.40 118.72 3fwn s VAL 127 Ca 0.63 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.67 3fwn s VAL 127 Cb -0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 3fwn s VAL 127 CO 0.17 0.21 -0.09 -0.55 0.00 0.00 0.00 175.10 174.84 3fwn s SER 128 N 1.34 1.12 0.00 3.32 0.15 0.04 -4.90 113.70 114.76 3fwn s SER 128 Ca -0.05 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.43 3fwn s SER 128 Cb -0.13 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 3fwn s SER 128 CO -0.02 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.14 3fwn n GLY 129 N 2.90 -0.24 5.68 9.45 0.00 -1.26 -0.84 105.19 120.90 3fwn n GLY 129 Ca -0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.91 3fwn n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwn n GLY 130 N 0.00 -1.52 0.17 -0.02 0.00 -1.26 -0.92 105.19 101.64 3fwn n GLY 130 Ca 0.00 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 3fwn n GLY 130 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fwn h GLU 131 N 0.00 0.28 -0.34 1.61 4.81 -1.98 -0.08 114.58 118.88 3fwn h GLU 131 Ca 0.00 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3fwn h GLU 131 Cb 0.18 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3fwn h GLU 131 CO 0.00 0.19 -0.18 1.49 -0.73 0.00 0.00 179.01 179.78 3fwn h GLU 132 N 0.29 0.73 -0.62 1.92 4.81 -1.98 -2.34 114.58 117.39 3fwn h GLU 132 Ca 0.18 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 3fwn h GLU 132 Cb 0.16 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3fwn h GLU 132 CO -0.18 0.93 0.06 0.78 -0.73 0.00 0.00 179.01 179.87 3fwn h GLY 133 N 0.51 1.13 0.83 1.92 0.00 -0.96 0.12 103.07 106.62 3fwn h GLY 133 Ca 0.08 -0.77 0.04 0.00 0.00 0.00 0.00 47.33 46.68 3fwn h GLY 133 CO 0.05 0.71 0.54 0.00 0.00 0.00 0.00 176.54 177.84 3fwn h ALA 134 N 1.09 1.13 -0.04 3.60 0.00 -0.92 0.42 119.26 124.53 3fwn h ALA 134 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3fwn h ALA 134 Cb 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3fwn h ALA 134 CO 0.02 0.35 -0.12 1.25 0.00 0.00 0.00 179.25 180.74 3fwn h LEU 135 N 1.03 0.17 0.00 0.00 5.85 -1.11 -3.34 115.31 117.92 3fwn h LEU 135 Ca 0.35 -0.62 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 3fwn h LEU 135 Cb 0.06 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3fwn h LEU 135 CO -0.13 0.76 -1.68 0.29 -0.34 0.00 0.00 178.44 177.34 3fwn n LYS 136 N -4.64 0.64 0.00 1.25 4.76 0.40 -4.04 118.16 116.53 3fwn n LYS 136 Ca -0.08 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 3fwn n LYS 136 Cb 0.38 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3fwn n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fwn n GLY 137 N 1.38 1.23 4.00 0.72 0.00 0.13 -4.76 105.19 107.89 3fwn n GLY 137 Ca -0.10 0.31 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3fwn n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fwn s PRO 138 N -0.10 2.51 0.10 1.61 0.04 -0.24 -3.75 135.00 135.17 3fwn s PRO 138 Ca 0.00 -1.14 -0.25 0.00 0.04 0.00 0.00 61.00 59.65 3fwn s PRO 138 Cb 0.00 -2.60 -0.07 0.00 0.04 0.00 0.00 34.50 31.87 3fwn s PRO 138 CO 0.00 -0.65 0.77 -1.12 0.04 0.00 0.00 177.00 176.04 3fwn s SER 139 N -4.47 7.29 -0.07 6.66 0.01 -0.02 -0.66 113.70 122.43 3fwn s SER 139 Ca 0.58 1.53 0.03 0.00 1.31 0.00 0.00 55.95 59.40 3fwn s SER 139 Cb -0.09 -2.48 0.01 0.00 0.21 0.00 0.00 66.02 63.67 3fwn s SER 139 CO 0.37 0.11 -0.16 -0.63 0.41 0.00 0.00 173.24 173.34 3fwn s ILE 140 N -0.57 1.40 -0.49 1.44 1.01 -0.26 -0.78 121.20 122.95 3fwn s ILE 140 Ca 0.37 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.41 3fwn s ILE 140 Cb -0.22 -1.24 0.15 0.00 0.01 0.00 0.00 42.46 41.15 3fwn s ILE 140 CO 0.24 0.41 0.30 0.00 0.00 0.00 0.00 174.94 175.90 3fwn s MET 141 N 0.53 1.47 0.06 2.79 0.23 -0.19 -3.76 119.30 120.42 3fwn s MET 141 Ca -0.15 -2.28 -0.20 0.00 -1.03 0.00 0.00 55.69 52.02 3fwn s MET 141 Cb -0.16 -2.44 -0.06 0.00 -1.53 0.00 0.00 34.83 30.64 3fwn s MET 141 CO 0.05 -1.21 0.60 -1.25 -2.03 0.00 0.00 175.02 171.17 3fwn s PRO 142 N -0.04 4.27 0.20 3.16 0.04 -1.26 -1.39 135.00 139.98 3fwn s PRO 142 Ca 0.21 0.77 0.07 0.00 0.04 0.00 0.00 61.00 62.09 3fwn s PRO 142 Cb -0.17 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 3fwn s PRO 142 CO -0.06 0.55 -0.12 0.20 0.04 0.00 0.00 177.00 177.62 3fwn s GLY 143 N -0.83 1.37 0.00 0.56 0.00 -0.15 -1.29 107.32 106.97 3fwn s GLY 143 Ca 0.30 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.38 3fwn s GLY 143 CO 0.19 -1.72 0.00 0.61 0.00 0.00 0.00 173.10 172.19 3fwn n GLY 144 N -0.35 0.60 3.77 0.20 0.00 -0.40 -1.92 105.19 107.08 3fwn n GLY 144 Ca -0.08 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 3fwn n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fwn s GLN 145 N -2.00 3.91 0.37 1.61 1.11 -1.26 -4.01 119.66 119.39 3fwn s GLN 145 Ca 0.00 2.05 0.04 0.00 0.01 0.00 0.00 55.36 57.46 3fwn s GLN 145 Cb 0.00 -2.67 0.71 0.00 -1.01 0.00 0.00 33.01 30.04 3fwn s GLN 145 CO 0.00 -0.50 2.01 -0.22 0.01 0.00 0.00 175.29 176.59 3fwn h LYS 146 N 2.53 0.74 -0.85 2.91 1.63 -1.98 -1.28 116.57 120.28 3fwn h LYS 146 Ca -0.49 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.24 3fwn h LYS 146 Cb 1.25 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 32.67 3fwn h LYS 146 CO 0.62 0.49 0.44 0.93 -3.45 0.00 0.00 179.45 178.48 3fwn h GLU 147 N 0.77 1.20 -0.56 1.90 3.07 -2.00 -0.53 114.58 118.43 3fwn h GLU 147 Ca 0.23 -0.15 -0.11 0.00 -0.50 0.00 0.00 59.36 58.83 3fwn h GLU 147 Cb -0.02 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.64 3fwn h GLU 147 CO -0.05 0.90 -0.07 0.00 -1.40 0.00 0.00 179.01 178.38 3fwn h ALA 148 N 1.24 0.82 -0.62 3.43 0.00 -1.66 -2.79 119.26 119.67 3fwn h ALA 148 Ca 0.30 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fwn h ALA 148 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3fwn h ALA 148 CO -0.04 0.66 0.41 -0.92 0.00 0.00 0.00 179.25 179.36 3fwn h TYR 149 N 0.92 0.78 0.00 0.00 3.20 -0.68 -2.39 116.97 118.79 3fwn h TYR 149 Ca 0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3fwn h TYR 149 Cb 0.62 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3fwn h TYR 149 CO 0.04 0.48 -0.11 0.93 -1.64 0.00 0.00 178.16 177.86 3fwn h GLU 150 N 0.83 0.00 -0.01 1.82 4.39 -0.87 0.21 114.58 120.94 3fwn h GLU 150 Ca 0.23 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 3fwn h GLU 150 Cb -0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3fwn h GLU 150 CO -0.06 0.11 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.44 3fwn h LEU 151 N 0.00 0.03 -1.03 1.33 3.38 -1.17 -3.26 115.31 114.59 3fwn h LEU 151 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fwn h LEU 151 Cb 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fwn h LEU 151 CO 0.01 0.42 -0.19 1.33 0.09 0.00 0.00 178.44 180.10 3fwn n VAL 152 N -4.07 0.00 -0.31 1.22 0.24 -0.39 -4.68 118.33 110.34 3fwn n VAL 152 Ca -0.02 -0.40 0.01 0.00 -2.04 0.00 0.00 64.34 61.89 3fwn n VAL 152 Cb 0.43 1.19 0.15 0.00 -1.47 0.00 0.00 33.84 34.14 3fwn n VAL 152 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fwn h ALA 153 N 2.39 1.18 -0.45 2.33 0.00 -0.70 -0.83 119.26 123.19 3fwn h ALA 153 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fwn h ALA 153 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3fwn h ALA 153 CO 0.00 0.25 0.30 -1.35 0.00 0.00 0.00 179.25 178.44 3fwn h PRO 154 N 0.94 0.59 -0.36 0.00 0.11 -1.83 0.41 132.00 131.86 3fwn h PRO 154 Ca 0.38 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 3fwn h PRO 154 Cb 0.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3fwn h PRO 154 CO -0.19 0.39 -0.37 0.97 -0.21 0.00 0.00 178.00 178.60 3fwn h ILE 155 N 0.61 1.28 -0.47 4.15 2.10 -1.81 -1.47 117.51 121.89 3fwn h ILE 155 Ca 0.17 -1.54 -0.02 0.00 1.08 0.00 0.00 64.86 64.54 3fwn h ILE 155 Cb -0.06 1.44 -0.02 0.00 -1.09 0.00 0.00 36.82 37.08 3fwn h ILE 155 CO -0.04 0.51 0.19 -0.07 -1.08 0.00 0.00 178.15 177.66 3fwn h LEU 156 N 0.68 0.60 -0.48 2.19 3.38 -0.96 -2.20 115.31 118.53 3fwn h LEU 156 Ca 0.06 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3fwn h LEU 156 Cb 0.96 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3fwn h LEU 156 CO 0.09 0.54 -0.11 0.74 0.09 0.00 0.00 178.44 179.80 3fwn h THR 157 N 0.66 1.27 -0.76 0.22 2.02 -0.77 -1.36 112.91 114.21 3fwn h THR 157 Ca 0.16 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 66.14 3fwn h THR 157 Cb 0.13 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 3fwn h THR 157 CO -0.02 0.43 0.50 0.11 0.37 0.00 0.00 175.52 176.91 3fwn h LYS 158 N 0.76 0.89 0.00 6.66 1.79 -0.71 -3.09 116.57 122.87 3fwn h LYS 158 Ca 0.12 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3fwn h LYS 158 Cb 0.66 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3fwn h LYS 158 CO 0.05 0.59 -0.99 0.44 -1.08 0.00 0.00 179.45 178.46 3fwn n ILE 159 N -4.45 0.04 -1.80 1.86 -5.35 -0.88 -4.97 119.36 103.82 3fwn n ILE 159 Ca 0.10 -0.10 -0.32 0.00 -0.27 0.00 0.00 62.75 62.15 3fwn n ILE 159 Cb 0.12 0.56 0.04 0.00 -1.74 0.00 0.00 39.64 38.62 3fwn n ILE 159 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fwn s ALA 160 N -3.09 2.62 1.06 -1.28 0.00 -0.52 -3.94 121.76 116.61 3fwn s ALA 160 Ca 0.06 0.35 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 3fwn s ALA 160 Cb 0.16 -3.24 0.23 0.00 0.00 0.00 0.00 23.12 20.26 3fwn s ALA 160 CO 0.82 -1.10 1.07 0.00 0.00 0.00 0.00 175.76 176.56 3fwn s ALA 161 N -2.60 0.32 -0.02 0.00 0.00 0.16 -4.72 121.76 114.90 3fwn s ALA 161 Ca 0.63 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.73 3fwn s ALA 161 Cb -0.17 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3fwn s ALA 161 CO 0.44 -3.38 -0.09 0.08 0.00 0.00 0.00 175.76 172.81 3fwn s VAL 162 N -2.56 0.75 0.88 0.00 1.01 -1.26 -0.26 120.40 118.97 3fwn s VAL 162 Ca 0.67 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 3fwn s VAL 162 Cb -0.24 -0.66 0.12 0.00 0.00 0.00 0.00 36.38 35.60 3fwn s VAL 162 CO 0.62 0.23 1.13 0.00 0.00 0.00 0.00 175.10 177.08 3fwn s ALA 163 N 0.12 1.90 0.52 5.51 0.00 -0.18 -4.88 121.76 124.76 3fwn s ALA 163 Ca -0.02 -0.47 0.21 0.00 0.00 0.00 0.00 51.96 51.68 3fwn s ALA 163 Cb -0.08 -3.04 1.41 0.00 0.00 0.00 0.00 23.12 21.42 3fwn s ALA 163 CO 0.00 -2.15 2.15 0.93 0.00 0.00 0.00 175.76 176.69 3fwn h GLU 164 N -1.40 0.00 -0.04 0.00 4.39 -1.93 -0.03 114.58 115.56 3fwn h GLU 164 Ca -0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3fwn h GLU 164 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3fwn h GLU 164 CO 0.62 0.04 0.00 -0.40 -1.16 0.00 0.00 179.01 178.11 3fwn n ASP 165 N -4.20 0.33 0.00 1.42 5.68 -1.26 -4.89 116.55 113.63 3fwn n ASP 165 Ca -0.03 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 3fwn n ASP 165 Cb 0.13 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3fwn n ASP 165 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fwn n GLY 166 N 0.78 1.22 3.73 6.12 0.00 -0.03 -5.04 105.19 111.97 3fwn n GLY 166 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3fwn n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwn s GLU 167 N -0.45 4.48 0.42 1.61 2.02 -1.26 -4.77 118.70 120.76 3fwn s GLU 167 Ca 0.00 1.05 -0.26 0.00 0.02 0.00 0.00 54.97 55.78 3fwn s GLU 167 Cb 0.00 -3.41 -0.09 0.00 0.10 0.00 0.00 34.13 30.73 3fwn s GLU 167 CO 0.00 0.13 1.37 -2.14 0.02 0.00 0.00 175.26 174.64 3fwn s PRO 168 N 0.48 3.89 -0.32 0.39 0.02 -1.26 -1.01 135.00 137.19 3fwn s PRO 168 Ca 0.40 2.30 -0.05 0.00 0.02 0.00 0.00 61.00 63.67 3fwn s PRO 168 Cb -0.19 -2.75 -0.07 0.00 0.02 0.00 0.00 34.50 31.50 3fwn s PRO 168 CO 0.22 -0.60 3.10 0.00 -0.33 0.00 0.00 177.00 179.38 3fwn s VAL 170 N -0.90 0.02 0.07 0.00 0.11 -1.26 -1.10 120.40 117.34 3fwn s VAL 170 Ca 0.62 -0.21 -0.26 0.00 -2.93 0.00 0.00 61.98 59.20 3fwn s VAL 170 Cb 0.35 -0.44 0.08 0.00 -1.53 0.00 0.00 36.38 34.84 3fwn s VAL 170 CO -0.13 -0.11 0.69 0.28 -3.33 0.00 0.00 175.10 172.49 3fwn s THR 171 N -0.40 0.00 0.01 5.04 -1.32 -1.25 -5.03 115.64 112.69 3fwn s THR 171 Ca -0.05 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.13 3fwn s THR 171 Cb -0.03 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.89 3fwn s THR 171 CO 0.01 0.00 1.57 -0.47 -2.21 0.00 0.00 174.62 173.52 3fwn s TYR 172 N -2.99 2.42 -0.14 9.09 5.04 -1.26 -4.07 117.35 125.44 3fwn s TYR 172 Ca -0.01 0.44 -0.21 0.00 -2.44 0.00 0.00 57.07 54.85 3fwn s TYR 172 Cb -0.01 -3.85 -0.25 0.00 0.35 0.00 0.00 41.96 38.20 3fwn s TYR 172 CO -0.07 -3.40 0.54 0.82 -1.34 0.00 0.00 175.55 172.11 3fwn h ILE 173 N 5.09 1.23 0.00 3.14 1.08 -1.54 -3.49 117.51 123.02 3fwn h ILE 173 Ca -0.40 -2.34 0.00 0.00 -0.39 0.00 0.00 64.86 61.74 3fwn h ILE 173 Cb 1.18 2.78 0.00 0.00 -3.07 0.00 0.00 36.82 37.72 3fwn h ILE 173 CO 0.93 0.57 0.00 0.61 -0.69 0.00 0.00 178.15 179.57 3fwn n GLY 174 N 1.62 -1.93 3.78 5.37 0.00 -1.25 -4.64 105.19 108.13 3fwn n GLY 174 Ca -0.22 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 3fwn n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwn s ALA 175 N -1.43 2.34 0.00 4.61 0.00 -1.26 -1.28 121.76 124.74 3fwn s ALA 175 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3fwn s ALA 175 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3fwn s ALA 175 CO 0.00 -1.66 0.00 -0.40 0.00 0.00 0.00 175.76 173.70 3fwn n ASP 176 N -3.43 0.00 -0.70 0.00 5.75 -1.26 -1.40 116.55 115.50 3fwn n ASP 176 Ca 0.09 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.92 3fwn n ASP 176 Cb 0.53 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.77 3fwn n ASP 176 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fwn n GLY 177 N 0.00 0.85 0.32 6.12 0.00 -1.26 -3.24 105.19 107.98 3fwn n GLY 177 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 3fwn n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwn h ALA 178 N 3.46 1.02 -0.29 4.61 0.00 -1.49 -0.55 119.26 126.03 3fwn h ALA 178 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3fwn h ALA 178 Cb 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fwn h ALA 178 CO 0.04 0.52 0.13 0.78 0.00 0.00 0.00 179.25 180.73 3fwn h GLY 179 N 1.11 0.45 2.00 0.00 0.00 -1.77 -0.99 103.07 103.87 3fwn h GLY 179 Ca 0.28 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 3fwn h GLY 179 CO -0.05 0.21 -0.43 0.45 0.00 0.00 0.00 176.54 176.73 3fwn h HIS 180 N 0.33 0.00 -0.33 5.60 3.86 -1.65 -1.37 115.15 121.58 3fwn h HIS 180 Ca 0.10 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.22 3fwn h HIS 180 Cb 0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3fwn h HIS 180 CO -0.02 0.43 -0.15 -0.92 0.86 0.00 0.00 177.93 178.12 3fwn h TYR 181 N 0.00 0.80 -0.80 2.45 3.20 -0.80 -1.15 116.97 120.67 3fwn h TYR 181 Ca -0.00 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 3fwn h TYR 181 Cb 0.81 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 3fwn h TYR 181 CO 0.00 0.90 0.45 0.28 -1.64 0.00 0.00 178.16 178.15 3fwn h VAL 182 N 0.47 1.23 -0.62 1.81 2.07 -0.90 -1.47 116.25 118.83 3fwn h VAL 182 Ca 0.08 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3fwn h VAL 182 Cb 0.69 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3fwn h VAL 182 CO 0.05 0.25 0.14 0.50 0.02 0.00 0.00 177.57 178.53 3fwn h LYS 183 N 1.11 1.01 -0.33 1.57 1.63 -1.03 -0.07 116.57 120.45 3fwn h LYS 183 Ca 0.28 -0.25 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 3fwn h LYS 183 Cb -0.00 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.46 3fwn h LYS 183 CO -0.05 0.92 0.09 1.98 -3.45 0.00 0.00 179.45 178.94 3fwn h MET 184 N 0.92 0.21 -0.39 1.90 4.05 -0.61 -1.35 114.93 119.66 3fwn h MET 184 Ca 0.20 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.51 3fwn h MET 184 Cb 0.37 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 3fwn h MET 184 CO 0.00 0.14 -0.16 0.28 0.23 0.00 0.00 176.91 177.41 3fwn h VAL 185 N 0.22 1.26 -0.48 -5.77 2.07 -0.94 0.91 116.25 113.52 3fwn h VAL 185 Ca 0.15 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.53 3fwn h VAL 185 Cb 0.14 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 3fwn h VAL 185 CO -0.18 0.41 0.13 -0.74 0.02 0.00 0.00 177.57 177.21 3fwn h HIS 186 N 0.64 0.21 -0.49 1.57 6.17 -0.62 0.21 115.15 122.84 3fwn h HIS 186 Ca 0.10 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.11 3fwn h HIS 186 Cb 0.63 -0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.51 3fwn h HIS 186 CO 0.03 0.04 -0.09 -0.91 0.71 0.00 0.00 177.93 177.70 3fwn h ASN 187 N 0.27 0.88 -0.59 3.26 4.21 -0.19 0.18 115.58 123.61 3fwn h ASN 187 Ca 0.23 -0.27 0.01 0.00 1.21 0.00 0.00 56.30 57.48 3fwn h ASN 187 Cb 0.28 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 3fwn h ASN 187 CO -0.28 1.00 0.38 1.23 -1.29 0.00 0.00 177.43 178.47 3fwn h GLY 188 N 0.97 0.83 1.05 2.83 0.00 -0.04 -0.40 103.07 108.30 3fwn h GLY 188 Ca 0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3fwn h GLY 188 CO 0.04 0.29 0.27 -2.22 0.00 0.00 0.00 176.54 174.92 3fwn h ILE 189 N 0.78 1.26 -0.85 2.60 2.04 -0.15 -1.40 117.51 121.80 3fwn h ILE 189 Ca 0.22 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3fwn h ILE 189 Cb -0.07 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 3fwn h ILE 189 CO -0.06 0.34 0.55 -0.08 0.00 0.00 0.00 178.15 178.90 3fwn h GLU 190 N 1.10 1.13 -0.92 2.37 4.81 -0.15 0.46 114.58 123.39 3fwn h GLU 190 Ca 0.25 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3fwn h GLU 190 Cb 0.26 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3fwn h GLU 190 CO -0.01 0.76 0.54 1.88 -0.73 0.00 0.00 179.01 181.44 3fwn h TYR 191 N 1.15 1.22 -0.25 0.92 -1.99 -0.26 -1.20 116.97 116.57 3fwn h TYR 191 Ca 0.31 -0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.90 3fwn h TYR 191 Cb -0.11 -0.40 -0.01 0.00 2.00 0.00 0.00 36.73 38.21 3fwn h TYR 191 CO -0.01 0.82 -0.36 0.78 -0.00 0.00 0.00 178.16 179.40 3fwn h GLY 192 N 1.27 0.61 1.63 3.88 0.00 -0.38 -1.12 103.07 108.96 3fwn h GLY 192 Ca 0.33 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 3fwn h GLY 192 CO -0.06 0.52 -0.42 -0.55 0.00 0.00 0.00 176.54 176.03 3fwn h ASP 193 N 0.47 0.43 -0.28 0.19 3.32 -0.29 0.29 116.42 120.56 3fwn h ASP 193 Ca 0.05 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 3fwn h ASP 193 Cb 0.84 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 3fwn h ASP 193 CO 0.07 0.81 -0.39 0.24 -1.72 0.00 0.00 179.24 178.25 3fwn h MET 194 N 0.34 0.76 -0.48 3.56 2.86 -1.04 -1.69 114.93 119.24 3fwn h MET 194 Ca 0.03 -0.44 -0.12 0.00 -2.06 0.00 0.00 59.70 57.10 3fwn h MET 194 Cb 0.89 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 3fwn h MET 194 CO 0.07 1.07 -0.19 0.37 1.06 0.00 0.00 176.91 179.29 3fwn h GLN 195 N 0.51 0.98 -0.33 1.72 5.75 -1.00 0.44 115.11 123.17 3fwn h GLN 195 Ca 0.03 -0.41 0.04 0.00 -0.15 0.00 0.00 58.65 58.16 3fwn h GLN 195 Cb 0.98 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.45 3fwn h GLN 195 CO 0.09 1.08 0.12 -0.07 -2.65 0.00 0.00 178.83 177.40 3fwn h LEU 196 N 0.83 0.13 -1.12 -2.39 3.38 -0.85 -0.82 115.31 114.47 3fwn h LEU 196 Ca 0.11 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3fwn h LEU 196 Cb 0.76 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3fwn h LEU 196 CO 0.06 0.11 0.46 0.40 0.09 0.00 0.00 178.44 179.56 3fwn h ILE 197 N 0.26 1.22 -0.59 1.22 2.04 -1.13 -1.69 117.51 118.84 3fwn h ILE 197 Ca 0.15 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 3fwn h ILE 197 Cb 0.12 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 3fwn h ILE 197 CO -0.15 0.24 0.15 0.00 0.00 0.00 0.00 178.15 178.38 3fwn h ALA 198 N 1.42 1.15 -0.28 1.87 0.00 -0.20 0.16 119.26 123.39 3fwn h ALA 198 Ca 0.28 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 3fwn h ALA 198 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3fwn h ALA 198 CO -0.05 0.57 -0.51 0.93 0.00 0.00 0.00 179.25 180.19 3fwn h GLU 199 N 0.87 0.80 -0.34 0.00 5.08 -0.79 -0.39 114.58 119.81 3fwn h GLU 199 Ca 0.19 -0.48 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3fwn h GLU 199 Cb 0.31 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3fwn h GLU 199 CO -0.00 1.11 0.21 0.00 -1.00 0.00 0.00 179.01 179.33 3fwn h ALA 200 N 0.79 0.43 -0.43 3.43 0.00 -0.67 0.12 119.26 122.93 3fwn h ALA 200 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3fwn h ALA 200 Cb 1.10 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3fwn h ALA 200 CO 0.11 -0.14 0.16 -0.92 0.00 0.00 0.00 179.25 178.46 3fwn h TYR 201 N 0.42 0.28 -0.91 0.00 3.20 -0.49 -0.50 116.97 118.98 3fwn h TYR 201 Ca 0.13 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.04 3fwn h TYR 201 Cb -0.02 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 3fwn h TYR 201 CO -0.07 0.11 0.60 0.77 -1.64 0.00 0.00 178.16 177.93 3fwn h SER 202 N 0.33 1.03 -0.27 -2.11 0.02 -0.42 0.12 113.55 112.25 3fwn h SER 202 Ca 0.20 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3fwn h SER 202 Cb 0.18 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3fwn h SER 202 CO -0.20 0.74 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.05 3fwn h LEU 203 N 1.21 0.57 -0.48 5.07 3.38 -0.60 0.16 115.31 124.62 3fwn h LEU 203 Ca 0.34 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3fwn h LEU 203 Cb -0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3fwn h LEU 203 CO -0.08 0.84 -0.43 -0.07 0.09 0.00 0.00 178.44 178.78 3fwn h LEU 204 N 0.29 0.82 -0.02 1.67 3.38 -0.75 0.31 115.31 121.01 3fwn h LEU 204 Ca 0.06 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 3fwn h LEU 204 Cb 0.61 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3fwn h LEU 204 CO 0.04 1.14 -0.54 0.50 0.09 0.00 0.00 178.44 179.66 3fwn h LYS 205 N 0.62 0.41 0.03 1.13 3.64 -0.78 -2.49 116.57 119.13 3fwn h LYS 205 Ca 0.04 -0.41 -0.22 0.00 -1.27 0.00 0.00 60.65 58.79 3fwn h LYS 205 Cb 1.00 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 3fwn h LYS 205 CO 0.09 1.07 -1.04 0.78 -2.27 0.00 0.00 179.45 178.08 3fwn h GLY 206 N -0.09 0.10 0.97 5.01 0.00 -0.69 -1.02 103.07 107.35 3fwn h GLY 206 Ca -0.06 -0.25 -0.33 0.00 0.00 0.00 0.00 47.33 46.69 3fwn h GLY 206 CO 0.11 0.22 -1.73 -1.33 0.00 0.00 0.00 176.54 173.81 3fwn h GLY 207 N 2.48 0.27 -0.42 4.60 0.00 -0.50 -3.39 103.07 106.11 3fwn h GLY 207 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3fwn h GLY 207 CO 0.15 0.61 -0.21 1.04 0.00 0.00 0.00 176.54 178.13 3fwn n LEU 208 N -3.42 1.15 -3.56 3.11 4.77 -0.96 -4.35 117.00 113.74 3fwn n LEU 208 Ca -0.22 -0.76 -0.26 0.00 -0.03 0.00 0.00 56.01 54.75 3fwn n LEU 208 Cb 1.05 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.19 3fwn n LEU 208 CO 0.48 0.23 0.13 0.59 -1.33 0.00 0.00 177.39 177.49 3fwn n ASN 209 N -0.30 -5.64 -4.77 -1.43 3.02 -0.39 -4.92 115.26 100.84 3fwn n ASN 209 Ca 0.04 -0.55 -0.40 0.00 -0.03 0.00 0.00 54.58 53.64 3fwn n ASN 209 Cb 0.20 -4.49 -0.01 0.00 -0.61 0.00 0.00 39.78 34.87 3fwn n ASN 209 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fwn s LEU 210 N -7.12 4.26 0.86 3.41 1.43 -1.08 -5.00 118.68 115.44 3fwn s LEU 210 Ca 0.54 2.62 -0.13 0.00 -1.03 0.00 0.00 54.13 56.14 3fwn s LEU 210 Cb -0.25 -3.86 0.11 0.00 0.03 0.00 0.00 46.19 42.21 3fwn s LEU 210 CO 0.67 -0.76 1.18 0.42 0.23 0.00 0.00 176.35 178.09 3fwn s THR 211 N -1.25 1.99 0.35 5.49 -4.23 -1.26 -4.73 115.64 112.00 3fwn s THR 211 Ca 0.55 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 3fwn s THR 211 Cb -0.37 -2.92 0.16 0.00 1.34 0.00 0.00 72.50 70.71 3fwn s THR 211 CO 0.48 0.00 1.89 0.78 -0.54 0.00 0.00 174.62 177.24 3fwn h ASN 212 N -1.27 0.45 -0.39 3.99 2.35 -1.95 0.18 115.58 118.94 3fwn h ASN 212 Ca -0.47 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.10 3fwn h ASN 212 Cb 1.32 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 3fwn h ASN 212 CO 0.62 0.52 -0.09 -0.33 -1.65 0.00 0.00 177.43 176.50 3fwn h GLU 213 N 0.47 0.83 -0.24 0.81 4.39 -1.94 0.40 114.58 119.31 3fwn h GLU 213 Ca 0.10 -0.27 -0.14 0.00 0.34 0.00 0.00 59.36 59.39 3fwn h GLU 213 Cb 0.31 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3fwn h GLU 213 CO 0.01 0.89 -0.44 0.93 -1.16 0.00 0.00 179.01 179.24 3fwn h GLU 214 N 0.75 0.59 -0.16 2.33 5.08 -1.70 -0.16 114.58 121.31 3fwn h GLU 214 Ca 0.13 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3fwn h GLU 214 Cb 0.58 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3fwn h GLU 214 CO 0.04 0.92 0.01 -0.07 -1.00 0.00 0.00 179.01 178.91 3fwn h LEU 215 N 0.48 0.26 -0.72 1.33 3.38 -0.38 0.02 115.31 119.68 3fwn h LEU 215 Ca 0.03 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.81 3fwn h LEU 215 Cb 0.96 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 3fwn h LEU 215 CO 0.09 0.48 0.37 0.00 0.09 0.00 0.00 178.44 179.47 3fwn h ALA 216 N 0.79 0.99 -0.83 1.53 0.00 -0.76 0.12 119.26 121.10 3fwn h ALA 216 Ca 0.05 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3fwn h ALA 216 Cb 0.34 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3fwn h ALA 216 CO 0.01 -0.01 0.38 0.37 0.00 0.00 0.00 179.25 180.00 3fwn h GLN 217 N 0.65 1.22 -0.18 0.00 5.75 -0.75 -0.99 115.11 120.80 3fwn h GLN 217 Ca 0.35 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 3fwn h GLN 217 Cb 0.33 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 3fwn h GLN 217 CO -0.25 0.95 -0.01 1.15 -2.65 0.00 0.00 178.83 178.02 3fwn h THR 218 N 1.20 1.26 0.00 2.39 2.02 -0.24 -1.92 112.91 117.62 3fwn h THR 218 Ca 0.28 -0.89 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 3fwn h THR 218 Cb 0.15 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3fwn h THR 218 CO -0.03 0.27 -0.31 -0.26 0.37 0.00 0.00 175.52 175.55 3fwn h PHE 219 N 0.06 0.00 -0.49 3.16 0.04 -0.90 -1.48 116.94 117.33 3fwn h PHE 219 Ca 0.05 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 3fwn h PHE 219 Cb 0.40 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 3fwn h PHE 219 CO 0.04 0.31 0.13 1.15 -0.60 0.00 0.00 178.31 179.34 3fwn h THR 220 N 0.00 1.23 -0.48 -1.55 2.02 -0.81 0.01 112.91 113.33 3fwn h THR 220 Ca -0.00 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.31 3fwn h THR 220 Cb 0.55 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3fwn h THR 220 CO 0.04 0.29 0.08 -0.33 0.37 0.00 0.00 175.52 175.97 3fwn h GLU 221 N 0.66 0.79 -0.48 6.66 4.39 -0.77 -2.45 114.58 123.38 3fwn h GLU 221 Ca 0.15 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3fwn h GLU 221 Cb 0.31 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3fwn h GLU 221 CO -0.00 0.80 0.22 -1.49 -1.16 0.00 0.00 179.01 177.37 3fwn h TRP 222 N 0.66 0.66 0.00 4.33 6.55 -1.10 -1.68 115.95 125.38 3fwn h TRP 222 Ca 0.15 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.97 3fwn h TRP 222 Cb 0.38 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.47 3fwn h TRP 222 CO 0.03 0.50 0.00 -1.71 -1.05 0.00 0.00 178.44 176.21 3fwn n ASN 223 N -4.38 0.62 -0.37 -3.49 5.15 -0.03 -1.95 115.26 110.81 3fwn n ASN 223 Ca 0.04 0.69 0.13 0.00 -0.60 0.00 0.00 54.58 54.84 3fwn n ASN 223 Cb 0.13 -0.80 0.42 0.00 -0.53 0.00 0.00 39.78 39.00 3fwn n ASN 223 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3fwn n ASN 224 N -2.22 1.29 0.00 1.20 5.03 -0.63 -4.08 115.26 115.85 3fwn n ASN 224 Ca 0.01 -1.18 0.00 0.00 0.87 0.00 0.00 54.58 54.28 3fwn n ASN 224 Cb 0.17 0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 3fwn n ASN 224 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fwn n GLY 225 N 1.27 4.99 0.31 7.41 0.00 -0.82 -4.95 105.19 113.40 3fwn n GLY 225 Ca 0.15 -1.81 0.19 0.00 0.00 0.00 0.00 46.02 44.55 3fwn n GLY 225 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3fwn h GLU 226 N 0.00 0.00 -0.00 1.61 4.11 -1.92 -1.25 114.58 117.12 3fwn h GLU 226 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fwn h GLU 226 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fwn h GLU 226 CO 0.00 0.02 -0.01 1.28 0.07 0.00 0.00 179.01 180.37 3fwn n LEU 227 N -3.37 0.40 -4.61 3.06 4.77 -1.25 -4.68 117.00 111.32 3fwn n LEU 227 Ca -0.02 -0.10 -0.52 0.00 -0.03 0.00 0.00 56.01 55.34 3fwn n LEU 227 Cb 0.12 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3fwn n LEU 227 CO 0.24 0.07 0.97 -1.54 -1.33 0.00 0.00 177.39 175.80 3fwn n SER 228 N -0.74 1.83 -3.55 -1.43 3.41 -0.48 -4.78 113.62 107.88 3fwn n SER 228 Ca 0.21 1.11 -0.09 0.00 -0.26 0.00 0.00 58.87 59.85 3fwn n SER 228 Cb 0.19 -1.20 -0.02 0.00 -0.26 0.00 0.00 64.21 62.92 3fwn n SER 228 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fwn s SER 229 N 0.82 -0.39 0.20 4.04 1.04 -1.26 -3.87 113.70 114.28 3fwn s SER 229 Ca 0.85 -0.12 -0.10 0.00 0.48 0.00 0.00 55.95 57.06 3fwn s SER 229 Cb -0.94 0.51 0.14 0.00 0.10 0.00 0.00 66.02 65.82 3fwn s SER 229 CO 0.48 -0.85 1.81 0.22 0.98 0.00 0.00 173.24 175.87 3fwn h TYR 230 N 2.00 1.04 -0.44 5.02 3.20 -1.57 -0.45 116.97 125.77 3fwn h TYR 230 Ca -0.26 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.50 3fwn h TYR 230 Cb 1.26 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 3fwn h TYR 230 CO 0.28 0.74 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.45 3fwn h LEU 231 N 1.03 0.71 -0.49 2.82 3.38 -1.81 0.16 115.31 121.10 3fwn h LEU 231 Ca 0.26 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 3fwn h LEU 231 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3fwn h LEU 231 CO -0.04 0.79 -0.50 0.40 0.09 0.00 0.00 178.44 179.19 3fwn h ILE 232 N 0.69 1.30 -0.30 1.22 1.08 -1.81 -1.94 117.51 117.75 3fwn h ILE 232 Ca 0.13 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 62.88 3fwn h ILE 232 Cb 0.46 1.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 3fwn h ILE 232 CO 0.02 0.54 0.14 -0.78 -0.69 0.00 0.00 178.15 177.38 3fwn h ASP 233 N 0.52 0.39 0.65 1.72 3.58 -0.50 -1.60 116.42 121.18 3fwn h ASP 233 Ca 0.02 -0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.25 3fwn h ASP 233 Cb 1.05 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 3fwn h ASP 233 CO 0.10 0.41 -0.43 0.16 -2.88 0.00 0.00 179.24 176.60 3fwn h ILE 234 N 0.34 1.10 -0.74 2.25 3.07 -0.96 -2.91 117.51 119.66 3fwn h ILE 234 Ca 0.10 -1.57 -0.04 0.00 1.55 0.00 0.00 64.86 64.89 3fwn h ILE 234 Cb 0.12 1.90 -0.03 0.00 -0.27 0.00 0.00 36.82 38.54 3fwn h ILE 234 CO -0.01 0.42 0.30 0.74 -1.05 0.00 0.00 178.15 178.54 3fwn h THR 235 N 0.00 1.25 -0.54 0.16 2.02 -0.86 -1.14 112.91 113.80 3fwn h THR 235 Ca -0.00 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.39 3fwn h THR 235 Cb 0.87 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3fwn h THR 235 CO 0.06 0.32 0.36 0.07 0.37 0.00 0.00 175.52 176.70 3fwn h LYS 236 N 1.07 0.70 -0.20 6.66 2.10 -1.11 -2.11 116.57 123.68 3fwn h LYS 236 Ca 0.25 -0.04 -0.17 0.00 -2.00 0.00 0.00 60.65 58.69 3fwn h LYS 236 Cb 0.21 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3fwn h LYS 236 CO -0.02 0.46 -0.54 -0.44 -2.00 0.00 0.00 179.45 176.91 3fwn h ASP 237 N 0.72 0.81 -0.56 7.07 3.32 -1.33 -3.21 116.42 123.25 3fwn h ASP 237 Ca 0.20 -0.58 0.01 0.00 0.02 0.00 0.00 57.03 56.68 3fwn h ASP 237 Cb -0.07 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 3fwn h ASP 237 CO -0.04 1.25 0.37 0.40 -1.72 0.00 0.00 179.24 179.49 3fwn h ILE 238 N 0.42 1.15 0.00 0.35 2.04 -0.56 -1.84 117.51 119.07 3fwn h ILE 238 Ca -0.01 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3fwn h ILE 238 Cb 1.15 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3fwn h ILE 238 CO 0.12 0.14 0.00 0.49 0.00 0.00 0.00 178.15 178.90 3fwn n PHE 239 N -4.45 0.00 0.28 1.37 3.72 -0.98 -2.45 117.46 114.95 3fwn n PHE 239 Ca 0.05 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.50 3fwn n PHE 239 Cb 0.05 -0.49 0.05 0.00 -0.94 0.00 0.00 39.48 38.14 3fwn n PHE 239 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fwn n THR 240 N -1.49 0.15 -2.37 4.37 -2.24 -0.70 -4.48 114.28 107.51 3fwn n THR 240 Ca 0.04 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 3fwn n THR 240 Cb 0.19 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 3fwn n THR 240 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fwn s LYS 241 N -0.76 4.32 0.15 -0.78 2.47 -1.03 -5.00 119.74 119.11 3fwn s LYS 241 Ca 0.11 1.78 0.08 0.00 -1.56 0.00 0.00 55.97 56.38 3fwn s LYS 241 Cb 0.07 -3.57 -0.04 0.00 -1.46 0.00 0.00 37.83 32.84 3fwn s LYS 241 CO 0.11 -0.50 -0.10 0.15 0.16 0.00 0.00 175.35 175.17 3fwn s LYS 242 N 2.31 2.06 0.82 4.03 1.02 -1.26 -1.41 119.74 127.31 3fwn s LYS 242 Ca 0.59 -1.17 -0.07 0.00 0.02 0.00 0.00 55.97 55.34 3fwn s LYS 242 Cb -0.27 -2.21 0.16 0.00 -0.52 0.00 0.00 37.83 34.99 3fwn s LYS 242 CO 0.23 0.47 1.13 0.16 -0.92 0.00 0.00 175.35 176.42 3fwn s ASP 243 N -2.54 3.84 0.63 2.83 3.84 0.58 -4.83 116.67 121.02 3fwn s ASP 243 Ca 0.23 -0.09 0.37 0.00 -0.00 0.00 0.00 52.55 53.06 3fwn s ASP 243 Cb -0.10 -0.15 2.12 0.00 -1.38 0.00 0.00 42.92 43.41 3fwn s ASP 243 CO 0.14 -2.22 2.31 1.05 -0.00 0.00 0.00 175.17 176.44 3fwn h GLU 244 N -1.00 0.00 -0.01 2.11 4.11 -2.01 -0.91 114.58 116.88 3fwn h GLU 244 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 3fwn h GLU 244 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3fwn h GLU 244 CO 0.40 0.01 -0.04 -0.25 0.07 0.00 0.00 179.01 179.19 3fwn n ASP 245 N -3.44 0.66 0.00 3.06 10.43 -1.26 -4.91 116.55 121.09 3fwn n ASP 245 Ca -0.03 -1.02 0.00 0.00 2.57 0.00 0.00 54.79 56.31 3fwn n ASP 245 Cb 0.09 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.03 3fwn n ASP 245 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fwn n GLY 246 N 1.15 0.78 3.77 0.44 0.00 -0.34 -5.04 105.19 105.94 3fwn n GLY 246 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3fwn n GLY 246 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fwn s ASN 247 N -2.79 7.16 -0.15 1.61 0.02 -1.26 -4.76 114.94 114.77 3fwn s ASN 247 Ca 0.00 2.07 -0.29 0.00 -1.02 0.00 0.00 52.86 53.62 3fwn s ASN 247 Cb 0.00 -2.60 -0.02 0.00 0.02 0.00 0.00 41.25 38.65 3fwn s ASN 247 CO 0.00 -0.20 1.26 -0.31 0.02 0.00 0.00 177.10 177.86 3fwn s TYR 248 N -1.41 2.90 0.29 2.20 2.02 -1.26 -0.31 117.35 121.78 3fwn s TYR 248 Ca 0.49 1.03 0.03 0.00 -0.37 0.00 0.00 57.07 58.26 3fwn s TYR 248 Cb -0.25 -3.49 0.62 0.00 -0.40 0.00 0.00 41.96 38.44 3fwn s TYR 248 CO 0.32 -1.66 1.81 -0.07 -1.57 0.00 0.00 175.55 174.39 3fwn h LEU 249 N 9.48 0.87 -2.30 -1.29 3.38 -1.56 -1.80 115.31 122.09 3fwn h LEU 249 Ca -0.28 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3fwn h LEU 249 Cb 1.11 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3fwn h LEU 249 CO 0.96 0.41 -0.04 1.62 0.09 0.00 0.00 178.44 181.47 3fwn h VAL 250 N 0.90 0.52 -0.01 1.22 3.04 -1.81 -1.79 116.25 118.33 3fwn h VAL 250 Ca 0.53 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 3fwn h VAL 250 Cb 0.65 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 3fwn h VAL 250 CO -0.31 0.04 -0.22 0.47 -1.01 0.00 0.00 177.57 176.54 3fwn n ASP 251 N -3.76 0.91 -0.26 3.17 8.00 -0.68 -3.65 116.55 120.29 3fwn n ASP 251 Ca -0.03 -0.83 0.03 0.00 0.71 0.00 0.00 54.79 54.68 3fwn n ASP 251 Cb 0.13 0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.34 3fwn n ASP 251 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3fwn n VAL 252 N -0.70 0.00 -2.46 2.53 0.24 -0.71 -4.98 118.33 112.25 3fwn n VAL 252 Ca 0.13 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.53 3fwn n VAL 252 Cb 0.33 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.80 3fwn n VAL 252 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3fwn s ILE 253 N -0.68 4.00 0.17 1.34 1.01 -0.95 -4.98 121.20 121.12 3fwn s ILE 253 Ca 0.08 1.53 -0.31 0.00 0.00 0.00 0.00 60.65 61.94 3fwn s ILE 253 Cb 0.06 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 3fwn s ILE 253 CO 0.10 0.17 1.46 -0.22 0.00 0.00 0.00 174.94 176.45 3fwn s LEU 254 N 0.58 4.38 -0.95 2.97 2.96 -1.26 -4.89 118.68 122.46 3fwn s LEU 254 Ca 0.55 2.52 -0.07 0.00 -0.22 0.00 0.00 54.13 56.91 3fwn s LEU 254 Cb -0.29 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.75 3fwn s LEU 254 CO 0.31 -0.71 2.93 -0.90 -1.32 0.00 0.00 176.35 176.66 3fwn n ASP 255 N 3.42 7.34 -4.05 3.68 3.85 -1.26 -4.77 116.55 124.77 3fwn n ASP 255 Ca 0.11 -2.82 -0.32 0.00 -0.71 0.00 0.00 54.79 51.05 3fwn n ASP 255 Cb 0.40 -1.41 -0.15 0.00 -1.35 0.00 0.00 41.12 38.61 3fwn n ASP 255 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3fwn s GLU 256 N 0.29 1.94 -0.17 0.11 2.02 -1.26 -4.64 118.70 116.99 3fwn s GLU 256 Ca 0.63 -1.57 -0.22 0.00 0.02 0.00 0.00 54.97 53.83 3fwn s GLU 256 Cb 0.25 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 3fwn s GLU 256 CO -0.09 -0.73 0.70 0.00 0.02 0.00 0.00 175.26 175.17 3fwn s ALA 257 N 1.02 3.51 0.72 5.21 0.00 -1.26 -4.91 121.76 126.05 3fwn s ALA 257 Ca -0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 3fwn s ALA 257 Cb -0.20 -3.05 0.06 0.00 0.00 0.00 0.00 23.12 19.94 3fwn s ALA 257 CO -0.06 -0.53 1.05 0.00 0.00 0.00 0.00 175.76 176.23 3fwn s ALA 258 N 1.84 3.01 -0.08 0.00 0.00 -1.26 -4.63 121.76 120.65 3fwn s ALA 258 Ca 0.33 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 3fwn s ALA 258 Cb -0.16 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.26 3fwn s ALA 258 CO 0.12 -1.34 0.39 0.54 0.00 0.00 0.00 175.76 175.47 3fwn s ASN 259 N -4.50 -0.34 -0.21 0.00 4.22 -1.26 -5.06 114.94 107.79 3fwn s ASN 259 Ca 0.60 0.48 0.15 0.00 -2.14 0.00 0.00 52.86 51.94 3fwn s ASN 259 Cb -0.11 0.57 0.55 0.00 1.28 0.00 0.00 41.25 43.54 3fwn s ASN 259 CO 0.46 -0.33 1.47 0.29 -2.04 0.00 0.00 177.10 176.96 3fwn n LYS 260 N 1.94 2.87 0.00 3.55 5.02 -1.26 -5.00 118.16 125.27 3fwn n LYS 260 Ca -0.18 -2.93 0.00 0.00 -2.02 0.00 0.00 58.31 53.19 3fwn n LYS 260 Cb 0.57 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3fwn n LYS 260 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fwn n GLY 261 N -0.56 2.20 0.26 0.72 0.00 -1.26 -4.97 105.19 101.59 3fwn n GLY 261 Ca 0.25 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3fwn n GLY 261 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fwn h THR 262 N 0.00 1.28 -0.27 2.61 1.35 -1.94 0.27 112.91 116.21 3fwn h THR 262 Ca 0.00 -1.42 -0.03 0.00 -0.55 0.00 0.00 66.41 64.41 3fwn h THR 262 Cb 0.00 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 3fwn h THR 262 CO 0.00 0.47 0.06 1.23 -0.25 0.00 0.00 175.52 177.04 3fwn h GLY 263 N 0.94 0.47 0.42 5.82 0.00 -1.85 -1.19 103.07 107.67 3fwn h GLY 263 Ca 0.08 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.19 3fwn h GLY 263 CO 0.07 0.28 0.04 1.70 0.00 0.00 0.00 176.54 178.63 3fwn h LYS 264 N 0.27 0.16 -0.53 4.80 3.64 -1.90 -1.19 116.57 121.82 3fwn h LYS 264 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3fwn h LYS 264 Cb 0.29 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3fwn h LYS 264 CO 0.00 0.10 0.30 -1.49 -2.27 0.00 0.00 179.45 176.10 3fwn h TRP 265 N 0.16 0.69 -0.41 1.91 6.55 -0.68 0.02 115.95 124.19 3fwn h TRP 265 Ca 0.20 -0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.02 3fwn h TRP 265 Cb 0.27 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.32 3fwn h TRP 265 CO -0.23 0.48 0.18 1.15 -1.05 0.00 0.00 178.44 178.96 3fwn h THR 266 N 0.73 1.19 -0.38 1.49 2.02 -0.03 -0.20 112.91 117.72 3fwn h THR 266 Ca 0.19 -0.56 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 3fwn h THR 266 Cb -0.00 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3fwn h THR 266 CO -0.03 0.21 -0.28 0.28 0.37 0.00 0.00 175.52 176.07 3fwn h SER 267 N 0.52 0.82 -0.08 4.18 0.02 -0.91 -0.69 113.55 117.41 3fwn h SER 267 Ca 0.14 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 3fwn h SER 267 Cb 0.16 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3fwn h SER 267 CO -0.01 1.05 -0.11 1.56 -1.14 0.00 0.00 176.83 178.17 3fwn h GLN 268 N 0.68 0.38 -0.26 3.45 4.20 -0.74 -1.34 115.11 121.48 3fwn h GLN 268 Ca 0.08 -0.10 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 3fwn h GLN 268 Cb 0.81 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3fwn h GLN 268 CO 0.07 0.50 -0.60 1.03 -0.67 0.00 0.00 178.83 179.16 3fwn h SER 269 N 0.36 0.98 -0.78 1.46 0.87 -0.68 -1.52 113.55 114.25 3fwn h SER 269 Ca 0.07 -0.55 0.10 0.00 -1.23 0.00 0.00 61.79 60.17 3fwn h SER 269 Cb 0.42 -0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 3fwn h SER 269 CO 0.02 1.36 0.42 0.00 -0.53 0.00 0.00 176.83 178.10 3fwn h ALA 270 N 0.65 1.10 -0.65 6.23 0.00 -0.78 0.13 119.26 125.93 3fwn h ALA 270 Ca -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3fwn h ALA 270 Cb 1.22 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3fwn h ALA 270 CO 0.13 0.03 0.16 -0.07 0.00 0.00 0.00 179.25 179.50 3fwn h LEU 271 N 0.71 0.99 -0.85 0.00 3.38 -1.00 -0.99 115.31 117.55 3fwn h LEU 271 Ca 0.38 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 3fwn h LEU 271 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3fwn h LEU 271 CO -0.26 0.97 -0.33 0.44 0.09 0.00 0.00 178.44 179.35 3fwn h ASP 272 N 0.97 0.47 0.23 -0.43 3.32 -0.23 -3.24 116.42 117.51 3fwn h ASP 272 Ca 0.20 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3fwn h ASP 272 Cb 0.36 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3fwn h ASP 272 CO 0.00 0.78 -0.22 0.18 -1.72 0.00 0.00 179.24 178.26 3fwn n LEU 273 N -4.07 1.01 -0.60 1.55 4.77 0.35 -4.95 117.00 115.06 3fwn n LEU 273 Ca -0.01 -0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 55.66 3fwn n LEU 273 Cb 0.45 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3fwn n LEU 273 CO 0.43 0.19 -0.07 0.61 -1.33 0.00 0.00 177.39 177.22 3fwn n GLY 274 N 1.32 0.34 3.75 -0.72 0.00 -0.49 -5.04 105.19 104.35 3fwn n GLY 274 Ca 0.13 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 3fwn n GLY 274 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwn s GLU 275 N -3.76 4.11 -1.38 1.61 0.41 -0.54 -5.00 118.70 114.15 3fwn s GLU 275 Ca 0.00 -0.08 -0.14 0.00 -0.41 0.00 0.00 54.97 54.34 3fwn s GLU 275 Cb 0.00 -3.39 0.08 0.00 -1.78 0.00 0.00 34.13 29.04 3fwn s GLU 275 CO 0.00 0.35 2.01 -0.35 -0.49 0.00 0.00 175.26 176.78 3fwn n PRO 276 N 3.29 3.10 -1.90 0.39 -0.04 -1.26 -4.52 135.00 134.06 3fwn n PRO 276 Ca -0.15 -3.00 -0.40 0.00 -0.04 0.00 0.00 63.50 59.91 3fwn n PRO 276 Cb 0.52 -3.25 -0.01 0.00 -0.04 0.00 0.00 33.50 30.73 3fwn n PRO 276 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3fwn n LEU 277 N 6.13 7.90 -0.03 1.53 7.94 -1.26 -4.75 117.00 134.46 3fwn n LEU 277 Ca 0.48 -4.70 -0.04 0.00 -1.11 0.00 0.00 56.01 50.63 3fwn n LEU 277 Cb 0.40 -1.44 0.18 0.00 0.53 0.00 0.00 43.42 43.09 3fwn n LEU 277 CO 0.84 1.90 0.76 0.77 -1.11 0.00 0.00 177.39 180.55 3fwn h SER 278 N 4.95 0.59 0.10 1.96 4.64 -1.96 -2.49 113.55 121.35 3fwn h SER 278 Ca 0.68 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3fwn h SER 278 Cb 0.37 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3fwn h SER 278 CO 1.59 0.79 -0.05 -0.07 -0.87 0.00 0.00 176.83 178.23 3fwn h LEU 279 N 0.53 -0.11 -0.99 5.97 4.07 -1.90 0.37 115.31 123.25 3fwn h LEU 279 Ca 0.08 -0.44 -0.02 0.00 0.08 0.00 0.00 57.88 57.59 3fwn h LEU 279 Cb 0.63 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.36 3fwn h LEU 279 CO 0.04 0.42 0.44 0.40 -1.08 0.00 0.00 178.44 178.66 3fwn h ILE 280 N -0.68 1.24 -0.43 1.22 2.04 -1.89 -0.79 117.51 118.22 3fwn h ILE 280 Ca -0.01 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3fwn h ILE 280 Cb 0.54 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3fwn h ILE 280 CO 0.02 0.28 0.24 0.74 0.00 0.00 0.00 178.15 179.43 3fwn h THR 281 N 1.15 1.15 0.00 -0.27 2.02 -1.33 -1.49 112.91 114.15 3fwn h THR 281 Ca 0.29 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3fwn h THR 281 Cb 0.04 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3fwn h THR 281 CO -0.04 0.16 -0.15 -0.33 0.37 0.00 0.00 175.52 175.53 3fwn h GLU 282 N 0.56 0.00 -0.47 6.66 4.39 -0.53 -0.73 114.58 124.46 3fwn h GLU 282 Ca 0.15 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 3fwn h GLU 282 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3fwn h GLU 282 CO -0.02 0.15 -0.22 0.77 -1.16 0.00 0.00 179.01 178.52 3fwn h SER 283 N 0.00 1.00 -0.26 1.42 0.02 -0.22 0.12 113.55 115.63 3fwn h SER 283 Ca -0.00 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 3fwn h SER 283 Cb 0.35 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3fwn h SER 283 CO 0.02 1.17 0.05 0.58 -1.14 0.00 0.00 176.83 177.51 3fwn h VAL 284 N 0.84 1.22 0.00 2.27 2.07 -0.54 -2.04 116.25 120.07 3fwn h VAL 284 Ca 0.11 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3fwn h VAL 284 Cb 0.79 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3fwn h VAL 284 CO 0.07 0.24 -0.25 -0.26 0.02 0.00 0.00 177.57 177.38 3fwn h PHE 285 N 0.24 0.00 -0.63 1.57 0.04 -1.00 -0.36 116.94 116.79 3fwn h PHE 285 Ca 0.08 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 3fwn h PHE 285 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 3fwn h PHE 285 CO 0.02 0.25 0.14 0.00 -0.60 0.00 0.00 178.31 178.12 3fwn h ALA 286 N 1.75 0.83 -0.49 2.45 0.00 -0.47 0.01 119.26 123.34 3fwn h ALA 286 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3fwn h ALA 286 Cb 0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3fwn h ALA 286 CO 0.03 0.56 0.26 0.00 0.00 0.00 0.00 179.25 180.10 3fwn h ARG 287 N 0.94 0.69 -0.60 0.00 3.08 -0.57 -1.16 114.38 116.75 3fwn h ARG 287 Ca 0.20 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.19 3fwn h ARG 287 Cb 0.37 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3fwn h ARG 287 CO 0.00 0.56 0.36 1.88 -1.07 0.00 0.00 179.97 181.70 3fwn h TYR 288 N 0.65 0.67 -0.03 3.04 0.05 -0.54 -1.23 116.97 119.59 3fwn h TYR 288 Ca 0.17 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.82 3fwn h TYR 288 Cb 0.08 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 3fwn h TYR 288 CO -0.01 0.37 -0.68 0.97 -1.05 0.00 0.00 178.16 177.76 3fwn h ILE 289 N 0.70 1.44 0.00 -2.88 2.10 -0.94 -2.07 117.51 115.87 3fwn h ILE 289 Ca 0.25 -2.21 -0.03 0.00 1.08 0.00 0.00 64.86 63.95 3fwn h ILE 289 Cb 0.05 2.17 -0.00 0.00 -1.09 0.00 0.00 36.82 37.95 3fwn h ILE 289 CO -0.11 0.64 -0.16 0.77 -1.08 0.00 0.00 178.15 178.21 3fwn h SER 290 N 0.10 0.00 0.00 2.19 4.64 -0.56 -1.66 113.55 118.26 3fwn h SER 290 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fwn h SER 290 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3fwn h SER 290 CO 0.10 0.16 0.00 -1.20 -0.87 0.00 0.00 176.83 175.02 3fwn n SER 291 N -4.28 0.00 -2.83 4.97 7.64 -0.52 -3.32 113.62 115.28 3fwn n SER 291 Ca -0.02 -1.49 -0.34 0.00 1.01 0.00 0.00 58.87 58.02 3fwn n SER 291 Cb 0.23 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 3fwn n SER 291 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fwn n LEU 292 N -0.70 6.28 -0.23 -3.43 4.77 -0.63 -4.86 117.00 118.21 3fwn n LEU 292 Ca 0.09 -5.09 -0.04 0.00 -0.03 0.00 0.00 56.01 50.94 3fwn n LEU 292 Cb 0.04 -0.82 0.06 0.00 -2.33 0.00 0.00 43.42 40.37 3fwn n LEU 292 CO 0.07 2.00 1.13 0.50 -1.33 0.00 0.00 177.39 179.76 3fwn h LYS 293 N 2.96 0.80 -0.83 3.23 1.63 -1.75 -0.56 116.57 122.04 3fwn h LYS 293 Ca 0.44 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 60.16 3fwn h LYS 293 Cb 0.41 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 3fwn h LYS 293 CO 1.16 0.53 0.41 -0.44 -3.45 0.00 0.00 179.45 177.66 3fwn h ASP 294 N 0.83 1.08 -0.71 4.20 3.32 -1.92 0.84 116.42 124.06 3fwn h ASP 294 Ca 0.26 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3fwn h ASP 294 Cb -0.02 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 3fwn h ASP 294 CO -0.09 0.90 0.19 1.56 -1.72 0.00 0.00 179.24 180.08 3fwn h GLN 295 N 1.17 1.13 -0.51 3.56 4.20 -1.80 -1.34 115.11 121.52 3fwn h GLN 295 Ca 0.29 -0.26 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 3fwn h GLN 295 Cb 0.10 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3fwn h GLN 295 CO -0.04 0.98 -0.17 0.00 -0.67 0.00 0.00 178.83 178.93 3fwn h ARG 296 N 1.07 1.02 -0.55 1.46 3.08 -0.41 0.28 114.38 120.33 3fwn h ARG 296 Ca 0.23 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 3fwn h ARG 296 Cb 0.34 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3fwn h ARG 296 CO -0.00 1.10 0.09 0.28 -1.07 0.00 0.00 179.97 180.36 3fwn h VAL 297 N 0.88 1.25 -0.48 2.04 2.07 -0.63 -0.02 116.25 121.37 3fwn h VAL 297 Ca 0.12 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 3fwn h VAL 297 Cb 0.75 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3fwn h VAL 297 CO 0.06 0.35 0.13 0.00 0.02 0.00 0.00 177.57 178.14 3fwn h ALA 298 N 0.99 0.63 -0.06 1.67 0.00 -1.04 -2.95 119.26 118.50 3fwn h ALA 298 Ca 0.17 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3fwn h ALA 298 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3fwn h ALA 298 CO 0.01 0.30 -0.36 0.00 0.00 0.00 0.00 179.25 179.20 3fwn h ALA 299 N 1.00 1.29 0.00 0.00 0.00 -0.67 -2.65 119.26 118.23 3fwn h ALA 299 Ca 0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3fwn h ALA 299 Cb 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3fwn h ALA 299 CO -0.00 0.50 -0.03 0.66 0.00 0.00 0.00 179.25 180.38 3fwn h SER 300 N 0.10 0.00 0.42 0.00 4.64 -0.82 0.44 113.55 118.32 3fwn h SER 300 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3fwn h SER 300 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3fwn h SER 300 CO 0.05 0.03 -0.35 0.29 -0.87 0.00 0.00 176.83 175.98 3fwn n LYS 301 N -3.30 0.37 0.00 4.77 5.02 -1.00 -4.45 118.16 119.58 3fwn n LYS 301 Ca -0.02 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 3fwn n LYS 301 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3fwn n LYS 301 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3fwn n VAL 302 N -1.14 0.00 -3.49 -0.18 0.24 -0.45 -5.04 118.33 108.27 3fwn n VAL 302 Ca 0.09 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.02 3fwn n VAL 302 Cb 0.33 0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 3fwn n VAL 302 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3fwn s LEU 303 N -1.90 4.27 0.65 1.34 1.43 0.02 -5.07 118.68 119.41 3fwn s LEU 303 Ca 0.00 0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 53.61 3fwn s LEU 303 Cb 0.00 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 3fwn s LEU 303 CO 0.00 0.10 1.03 -0.94 0.23 0.00 0.00 176.35 176.78 3fwn s SER 304 N 0.34 5.77 0.33 2.29 1.04 -1.26 -4.85 113.70 117.36 3fwn s SER 304 Ca 0.19 1.17 0.05 0.00 0.48 0.00 0.00 55.95 57.84 3fwn s SER 304 Cb -0.14 -2.10 -0.02 0.00 0.10 0.00 0.00 66.02 63.85 3fwn s SER 304 CO 0.06 -1.11 0.31 -0.83 0.98 0.00 0.00 173.24 172.65 3fwn s GLY 305 N -4.28 2.14 0.75 7.32 0.00 -1.26 -5.17 107.32 106.82 3fwn s GLY 305 Ca 0.56 -1.96 -0.11 0.00 0.00 0.00 0.00 44.72 43.22 3fwn s GLY 305 CO 0.51 -1.38 1.12 2.56 0.00 0.00 0.00 173.10 175.91 3fwn s PRO 306 N -3.39 2.28 0.61 2.90 0.04 -1.26 -5.09 135.00 131.09 3fwn s PRO 306 Ca 0.39 0.14 -0.06 0.00 0.04 0.00 0.00 61.00 61.50 3fwn s PRO 306 Cb 0.02 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3fwn s PRO 306 CO 0.26 -1.35 0.92 1.14 0.04 0.00 0.00 177.00 178.01 3fwn s GLN 307 N -5.44 2.84 0.70 4.56 0.00 -1.26 -4.93 119.66 116.13 3fwn s GLN 307 Ca 0.60 -0.00 -0.16 0.00 -0.00 0.00 0.00 55.36 55.80 3fwn s GLN 307 Cb -0.11 -2.25 0.02 0.00 0.00 0.00 0.00 33.01 30.67 3fwn s GLN 307 CO 0.49 -0.77 1.25 0.00 0.00 0.00 0.00 175.29 176.25 3fwn s ALA 308 N -3.04 2.20 -0.02 2.60 0.00 -1.26 -4.78 121.76 117.46 3fwn s ALA 308 Ca 0.55 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.55 3fwn s ALA 308 Cb -0.11 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.51 3fwn s ALA 308 CO 0.45 -1.80 -0.01 -1.14 0.00 0.00 0.00 175.76 173.27 3fwn s GLN 309 N -3.67 0.23 0.14 0.00 2.00 -1.26 -5.09 119.66 112.01 3fwn s GLN 309 Ca 0.78 0.02 -0.31 0.00 -2.00 0.00 0.00 55.36 53.85 3fwn s GLN 309 Cb -0.33 -0.34 -0.11 0.00 0.80 0.00 0.00 33.01 33.03 3fwn s GLN 309 CO 0.43 -0.06 1.83 -2.14 -0.50 0.00 0.00 175.29 174.85 3fwn s PRO 310 N 0.57 4.13 0.31 1.67 0.02 -1.26 -4.87 135.00 135.56 3fwn s PRO 310 Ca -0.05 2.62 0.16 0.00 0.02 0.00 0.00 61.00 63.75 3fwn s PRO 310 Cb -0.08 -3.53 0.21 0.00 0.02 0.00 0.00 34.50 31.12 3fwn s PRO 310 CO -0.01 -0.84 1.51 0.00 -0.33 0.00 0.00 177.00 177.33 3fwn h ALA 311 N 8.40 0.74 0.00 -1.55 0.00 -1.99 -3.49 119.26 121.36 3fwn h ALA 311 Ca -0.46 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3fwn h ALA 311 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3fwn h ALA 311 CO 0.95 0.58 0.00 0.41 0.00 0.00 0.00 179.25 181.19 3fwn n GLY 312 N 1.02 -1.10 3.64 0.00 0.00 -1.26 -4.81 105.19 102.68 3fwn n GLY 312 Ca 0.02 -1.76 -0.48 0.00 0.00 0.00 0.00 46.02 43.79 3fwn n GLY 312 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fwn n ASP 313 N 0.10 2.59 0.08 1.61 2.03 -1.26 -4.89 116.55 116.82 3fwn n ASP 313 Ca 0.00 1.10 -0.13 0.00 0.52 0.00 0.00 54.79 56.28 3fwn n ASP 313 Cb 0.00 -1.34 -0.07 0.00 -0.72 0.00 0.00 41.12 38.99 3fwn n ASP 313 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3fwn h LYS 314 N 5.46 -0.13 -0.74 -0.67 3.64 -2.00 -1.57 116.57 120.58 3fwn h LYS 314 Ca -0.46 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 3fwn h LYS 314 Cb 1.28 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 3fwn h LYS 314 CO 0.85 -0.08 0.29 0.00 -2.27 0.00 0.00 179.45 178.24 3fwn h ALA 315 N 0.79 1.12 -0.56 5.00 0.00 -2.00 -1.13 119.26 122.49 3fwn h ALA 315 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3fwn h ALA 315 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3fwn h ALA 315 CO 0.00 0.63 0.04 0.93 0.00 0.00 0.00 179.25 180.85 3fwn h GLU 316 N 1.07 0.94 -0.18 0.00 5.08 -1.89 -2.10 114.58 117.50 3fwn h GLU 316 Ca 0.25 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3fwn h GLU 316 Cb 0.21 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3fwn h GLU 316 CO -0.02 0.90 -0.36 0.35 -1.00 0.00 0.00 179.01 178.89 3fwn h PHE 317 N 0.87 0.70 -0.77 4.33 3.57 -0.96 -1.89 116.94 122.79 3fwn h PHE 317 Ca 0.17 -0.25 0.06 0.00 3.53 0.00 0.00 57.97 61.48 3fwn h PHE 317 Cb 0.46 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 3fwn h PHE 317 CO 0.03 0.99 0.46 0.82 -2.23 0.00 0.00 178.31 178.38 3fwn h ILE 318 N 0.20 1.00 -0.39 1.41 2.04 -1.13 -0.29 117.51 120.35 3fwn h ILE 318 Ca 0.01 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.46 3fwn h ILE 318 Cb 0.95 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3fwn h ILE 318 CO 0.08 0.15 -0.25 -0.08 0.00 0.00 0.00 178.15 178.05 3fwn h GLU 319 N 0.83 0.81 -0.56 2.37 4.57 -1.23 -0.33 114.58 121.04 3fwn h GLU 319 Ca 0.34 -0.34 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3fwn h GLU 319 Cb 0.19 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3fwn h GLU 319 CO -0.18 0.97 0.14 0.87 -1.18 0.00 0.00 179.01 179.63 3fwn h LYS 320 N 0.70 0.90 -0.45 1.92 1.57 -0.66 -1.25 116.57 119.30 3fwn h LYS 320 Ca 0.09 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 3fwn h LYS 320 Cb 0.78 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3fwn h LYS 320 CO 0.06 0.84 -0.09 0.28 -0.57 0.00 0.00 179.45 179.97 3fwn h VAL 321 N 0.80 1.25 -0.46 0.50 2.07 -0.88 0.48 116.25 120.02 3fwn h VAL 321 Ca 0.18 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 3fwn h VAL 321 Cb 0.34 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3fwn h VAL 321 CO 0.00 0.39 0.28 -0.09 0.02 0.00 0.00 177.57 178.18 3fwn h ARG 322 N 0.72 0.63 -0.48 1.57 2.43 -0.78 0.28 114.38 118.75 3fwn h ARG 322 Ca 0.13 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3fwn h ARG 322 Cb 0.56 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3fwn h ARG 322 CO 0.03 0.46 0.03 0.00 -1.51 0.00 0.00 179.97 178.99 3fwn h ARG 323 N 0.62 0.82 -0.66 0.20 3.08 -1.02 -1.73 114.38 115.69 3fwn h ARG 323 Ca 0.17 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.98 3fwn h ARG 323 Cb -0.01 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3fwn h ARG 323 CO -0.03 0.85 0.44 0.00 -1.07 0.00 0.00 179.97 180.16 3fwn h ALA 324 N 0.94 0.84 -0.32 0.04 0.00 -0.55 -0.86 119.26 119.34 3fwn h ALA 324 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3fwn h ALA 324 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3fwn h ALA 324 CO 0.02 0.26 0.14 1.25 0.00 0.00 0.00 179.25 180.92 3fwn h LEU 325 N 0.89 0.42 -0.59 0.00 5.85 -0.67 0.88 115.31 122.09 3fwn h LEU 325 Ca 0.24 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3fwn h LEU 325 Cb -0.10 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3fwn h LEU 325 CO -0.05 0.45 0.08 0.22 -0.34 0.00 0.00 178.44 178.80 3fwn h TYR 326 N 0.37 1.07 -0.28 1.25 5.03 -1.08 -1.14 116.97 122.19 3fwn h TYR 326 Ca 0.11 -0.16 -0.14 0.00 2.58 0.00 0.00 58.73 61.13 3fwn h TYR 326 Cb 0.15 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.13 3fwn h TYR 326 CO -0.01 0.93 -0.39 1.25 -1.32 0.00 0.00 178.16 178.62 3fwn h LEU 327 N 0.90 0.69 -0.67 2.82 5.85 -1.09 -1.88 115.31 121.93 3fwn h LEU 327 Ca 0.18 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3fwn h LEU 327 Cb 0.45 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3fwn h LEU 327 CO 0.02 1.00 0.41 1.23 -0.34 0.00 0.00 178.44 180.75 3fwn h GLY 328 N 1.00 0.97 0.97 3.75 0.00 -0.56 -0.91 103.07 108.28 3fwn h GLY 328 Ca 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.08 3fwn h GLY 328 CO 0.08 0.24 0.22 0.50 0.00 0.00 0.00 176.54 177.58 3fwn h LYS 329 N 0.79 0.43 -0.61 4.80 1.57 -0.92 -0.08 116.57 122.55 3fwn h LYS 329 Ca 0.28 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.12 3fwn h LYS 329 Cb 0.05 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 3fwn h LYS 329 CO -0.12 0.28 0.26 0.82 -0.57 0.00 0.00 179.45 180.12 3fwn h ILE 330 N 0.44 0.82 -0.46 1.86 2.04 -0.86 -0.37 117.51 120.99 3fwn h ILE 330 Ca 0.13 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3fwn h ILE 330 Cb -0.03 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 3fwn h ILE 330 CO -0.04 0.08 0.15 0.58 0.00 0.00 0.00 178.15 178.92 3fwn h VAL 331 N 0.46 1.22 -0.34 1.67 2.07 -0.78 -0.46 116.25 120.11 3fwn h VAL 331 Ca 0.30 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3fwn h VAL 331 Cb 0.33 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3fwn h VAL 331 CO -0.27 0.27 0.21 -1.28 0.02 0.00 0.00 177.57 176.52 3fwn h SER 332 N 0.60 0.39 -0.18 0.57 0.87 -0.32 -1.34 113.55 114.15 3fwn h SER 332 Ca 0.15 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 3fwn h SER 332 Cb 0.26 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3fwn h SER 332 CO -0.01 0.31 -0.09 1.88 -0.53 0.00 0.00 176.83 178.39 3fwn h TYR 333 N 0.45 0.57 -0.60 2.24 -1.99 -0.97 -0.43 116.97 116.23 3fwn h TYR 333 Ca 0.12 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 3fwn h TYR 333 Cb -0.03 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.52 3fwn h TYR 333 CO -0.05 0.61 0.22 0.00 -0.00 0.00 0.00 178.16 178.94 3fwn h ALA 334 N 1.41 0.79 -0.41 3.88 0.00 -0.74 0.23 119.26 124.42 3fwn h ALA 334 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3fwn h ALA 334 Cb 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3fwn h ALA 334 CO 0.02 0.43 0.11 1.96 0.00 0.00 0.00 179.25 181.78 3fwn h GLN 335 N 0.85 0.65 -0.25 0.00 4.20 -0.93 -1.14 115.11 118.50 3fwn h GLN 335 Ca 0.20 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3fwn h GLN 335 Cb 0.24 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3fwn h GLN 335 CO -0.01 0.66 0.09 0.78 -0.67 0.00 0.00 178.83 179.68 3fwn h GLY 336 N 0.53 0.40 1.98 3.46 0.00 -0.66 -1.42 103.07 107.37 3fwn h GLY 336 Ca 0.13 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3fwn h GLY 336 CO -0.00 0.21 -0.41 0.74 0.00 0.00 0.00 176.54 177.08 3fwn h PHE 337 N 0.24 0.03 -0.47 5.60 -1.00 -0.54 -1.48 116.94 119.31 3fwn h PHE 337 Ca 0.08 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 3fwn h PHE 337 Cb 0.20 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 3fwn h PHE 337 CO -0.00 0.43 0.11 1.03 -1.61 0.00 0.00 178.31 178.26 3fwn h SER 338 N 0.02 0.67 -0.10 2.17 0.87 -0.93 -2.33 113.55 113.92 3fwn h SER 338 Ca -0.00 -0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.30 3fwn h SER 338 Cb 0.74 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3fwn h SER 338 CO 0.05 0.67 -0.44 -0.61 -0.53 0.00 0.00 176.83 175.97 3fwn h GLN 339 N 0.70 0.65 -0.91 2.24 4.15 -0.75 -1.21 115.11 119.97 3fwn h GLN 339 Ca 0.16 -0.35 0.02 0.00 0.77 0.00 0.00 58.65 59.24 3fwn h GLN 339 Cb 0.27 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 3fwn h GLN 339 CO -0.00 0.96 0.60 -0.07 -1.93 0.00 0.00 178.83 178.39 3fwn h LEU 340 N 0.52 1.02 -0.35 -2.39 3.38 -0.90 0.47 115.31 117.07 3fwn h LEU 340 Ca 0.04 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3fwn h LEU 340 Cb 0.98 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3fwn h LEU 340 CO 0.09 0.73 -0.19 -0.09 0.09 0.00 0.00 178.44 179.06 3fwn h ARG 341 N 1.20 0.75 -0.63 1.13 2.43 -0.99 -0.37 114.38 117.90 3fwn h ARG 341 Ca 0.35 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3fwn h ARG 341 Cb -0.08 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3fwn h ARG 341 CO -0.09 0.95 0.21 0.00 -1.51 0.00 0.00 179.97 179.53 3fwn h ALA 342 N 0.78 1.18 -0.31 2.80 0.00 -0.69 -1.35 119.26 121.67 3fwn h ALA 342 Ca 0.07 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3fwn h ALA 342 Cb 0.74 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fwn h ALA 342 CO 0.06 0.57 -0.51 0.00 0.00 0.00 0.00 179.25 179.37 3fwn h ALA 343 N 1.31 0.49 -0.79 0.00 0.00 -0.78 -1.52 119.26 117.98 3fwn h ALA 343 Ca 0.21 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3fwn h ALA 343 Cb 0.24 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3fwn h ALA 343 CO -0.01 0.68 0.50 1.03 0.00 0.00 0.00 179.25 181.45 3fwn h SER 344 N 0.69 0.82 -0.42 0.00 0.87 -0.72 0.14 113.55 114.94 3fwn h SER 344 Ca 0.02 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.45 3fwn h SER 344 Cb 1.12 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 3fwn h SER 344 CO 0.12 0.56 -0.25 -0.33 -0.53 0.00 0.00 176.83 176.40 3fwn h GLU 345 N 0.97 0.91 -0.29 2.24 5.08 -1.07 0.40 114.58 122.83 3fwn h GLU 345 Ca 0.32 -0.42 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 3fwn h GLU 345 Cb 0.03 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3fwn h GLU 345 CO -0.12 1.07 -0.32 1.49 -1.00 0.00 0.00 179.01 180.13 3fwn h GLU 346 N 0.74 0.72 -0.47 2.33 4.57 -0.74 -3.27 114.58 118.46 3fwn h GLU 346 Ca 0.09 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3fwn h GLU 346 Cb 0.83 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3fwn h GLU 346 CO 0.07 1.02 0.00 0.66 -1.18 0.00 0.00 179.01 179.58 3fwn n TYR 347 N -4.23 0.62 -3.40 0.92 4.01 0.46 -4.99 117.16 110.54 3fwn n TYR 347 Ca -0.04 -0.31 -0.18 0.00 -0.16 0.00 0.00 57.90 57.21 3fwn n TYR 347 Cb 0.49 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.59 3fwn n TYR 347 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3fwn n ASN 348 N 1.41 -4.72 -0.00 7.72 3.02 0.02 -4.97 115.26 117.74 3fwn n ASN 348 Ca 0.20 -0.74 0.08 0.00 -0.03 0.00 0.00 54.58 54.09 3fwn n ASN 348 Cb 0.58 -4.81 -0.11 0.00 -0.61 0.00 0.00 39.78 34.83 3fwn n ASN 348 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3fwn n TRP 349 N -3.70 0.00 -4.01 3.10 8.01 -0.54 -4.86 117.44 115.44 3fwn n TRP 349 Ca -0.15 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.74 3fwn n TRP 349 Cb 0.64 -0.14 -0.03 0.00 -2.01 0.00 0.00 31.31 29.77 3fwn n TRP 349 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3fwn n ASP 350 N -1.64 -1.16 -4.73 -0.99 2.03 -1.26 -4.64 116.55 104.16 3fwn n ASP 350 Ca 0.01 -1.11 -0.37 0.00 0.52 0.00 0.00 54.79 53.84 3fwn n ASP 350 Cb 0.32 -2.60 0.06 0.00 -0.72 0.00 0.00 41.12 38.18 3fwn n ASP 350 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fwn s LEU 351 N -7.05 3.60 -0.50 -2.67 1.43 -1.26 -4.96 118.68 107.26 3fwn s LEU 351 Ca 0.13 2.62 -0.07 0.00 -1.03 0.00 0.00 54.13 55.77 3fwn s LEU 351 Cb -0.06 -4.60 0.13 0.00 0.03 0.00 0.00 46.19 41.70 3fwn s LEU 351 CO 0.92 -1.95 0.35 0.21 0.23 0.00 0.00 176.35 176.11 3fwn s ASN 352 N -1.38 5.61 0.22 2.29 3.84 -1.26 -4.96 114.94 119.30 3fwn s ASN 352 Ca 0.82 -2.10 -0.07 0.00 0.21 0.00 0.00 52.86 51.72 3fwn s ASN 352 Cb -0.37 -1.96 0.18 0.00 -0.55 0.00 0.00 41.25 38.54 3fwn s ASN 352 CO 0.40 -0.62 1.77 1.88 -2.79 0.00 0.00 177.10 177.74 3fwn h TYR 353 N 8.15 1.18 -0.60 0.43 0.05 -1.93 -1.39 116.97 122.86 3fwn h TYR 353 Ca -0.15 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 58.46 3fwn h TYR 353 Cb 1.05 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 38.42 3fwn h TYR 353 CO 0.65 0.91 0.13 0.78 -1.05 0.00 0.00 178.16 179.59 3fwn h GLY 354 N 1.13 1.02 1.60 3.88 0.00 -1.90 -1.50 103.07 107.30 3fwn h GLY 354 Ca 0.25 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 3fwn h GLY 354 CO -0.01 0.58 -0.20 0.83 0.00 0.00 0.00 176.54 177.73 3fwn h GLU 355 N 0.91 0.47 -0.18 4.80 5.08 -1.82 -0.78 114.58 123.06 3fwn h GLU 355 Ca 0.19 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3fwn h GLU 355 Cb 0.34 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3fwn h GLU 355 CO 0.00 0.65 0.01 0.82 -1.00 0.00 0.00 179.01 179.49 3fwn h ILE 356 N 0.43 1.25 -0.74 3.13 2.04 -0.94 -2.09 117.51 120.59 3fwn h ILE 356 Ca 0.07 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3fwn h ILE 356 Cb 0.60 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 3fwn h ILE 356 CO 0.04 0.25 0.47 0.00 0.00 0.00 0.00 178.15 178.92 3fwn h ALA 357 N 0.79 1.44 -0.80 1.87 0.00 -1.14 -2.45 119.26 118.96 3fwn h ALA 357 Ca 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fwn h ALA 357 Cb 0.37 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3fwn h ALA 357 CO 0.01 0.50 0.37 0.87 0.00 0.00 0.00 179.25 181.00 3fwn h LYS 358 N 1.01 1.16 0.00 0.00 1.57 -0.81 -1.89 116.57 117.60 3fwn h LYS 358 Ca 0.27 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3fwn h LYS 358 Cb -0.09 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.02 3fwn h LYS 358 CO -0.06 0.91 0.00 0.44 -0.57 0.00 0.00 179.45 180.17 3fwn n ILE 359 N -4.30 0.15 0.95 1.86 -5.35 -0.82 -2.28 119.36 109.57 3fwn n ILE 359 Ca 0.08 0.04 0.12 0.00 -0.27 0.00 0.00 62.75 62.72 3fwn n ILE 359 Cb 0.15 -0.60 0.28 0.00 -1.74 0.00 0.00 39.64 37.73 3fwn n ILE 359 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3fwn n PHE 360 N -1.29 0.19 0.22 4.28 3.72 -0.72 -4.29 117.46 119.58 3fwn n PHE 360 Ca 0.12 -0.10 0.09 0.00 -0.05 0.00 0.00 57.45 57.51 3fwn n PHE 360 Cb 0.21 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.27 3fwn n PHE 360 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fwn h ARG 361 N 3.61 0.00 -4.42 -1.08 3.08 -1.37 -3.33 114.38 110.88 3fwn h ARG 361 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 3fwn h ARG 361 Cb 0.78 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.72 3fwn h ARG 361 CO 0.00 0.24 -0.37 0.00 -1.07 0.00 0.00 179.97 178.77 3fwn s ALA 362 N -3.96 1.09 0.00 0.04 0.00 -1.26 -3.91 121.76 113.76 3fwn s ALA 362 Ca -0.01 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.28 3fwn s ALA 362 Cb 0.12 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.54 3fwn s ALA 362 CO 0.64 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3fwn n GLY 363 N -0.49 1.89 3.62 0.00 0.00 -1.26 -4.45 105.19 104.49 3fwn n GLY 363 Ca 0.03 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3fwn n GLY 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwn h ILE 365 N -2.07 1.25 -0.16 0.00 1.08 -1.88 -2.71 117.51 113.02 3fwn h ILE 365 Ca -0.55 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 62.79 3fwn h ILE 365 Cb 1.32 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 36.27 3fwn h ILE 365 CO 0.53 0.37 0.00 2.30 -0.69 0.00 0.00 178.15 180.66 3fwn n ILE 366 N -4.17 0.23 -1.68 -0.67 -5.35 -1.26 -4.23 119.36 102.23 3fwn n ILE 366 Ca 0.00 -0.22 -0.41 0.00 -0.27 0.00 0.00 62.75 61.86 3fwn n ILE 366 Cb 0.36 0.08 0.02 0.00 -1.74 0.00 0.00 39.64 38.35 3fwn n ILE 366 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 3fwn n ARG 367 N -0.03 1.76 0.00 6.28 1.85 -1.02 -4.81 116.66 120.69 3fwn n ARG 367 Ca 0.05 0.63 0.00 0.00 -1.00 0.00 0.00 57.85 57.53 3fwn n ARG 367 Cb 0.15 -2.32 0.00 0.00 -1.05 0.00 0.00 32.46 29.24 3fwn n ARG 367 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3fwn n ALA 368 N -0.37 0.00 0.30 2.89 0.00 -1.25 -1.63 120.51 120.44 3fwn n ALA 368 Ca 0.08 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.70 3fwn n ALA 368 Cb 0.40 0.00 0.92 0.00 0.00 0.00 0.00 19.45 20.77 3fwn n ALA 368 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3fwn h GLN 369 N 0.00 0.00 -0.98 0.00 3.07 -1.87 -1.91 115.11 113.43 3fwn h GLN 369 Ca 0.00 0.00 0.26 0.00 0.09 0.00 0.00 58.65 59.00 3fwn h GLN 369 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 27.43 3fwn h GLN 369 CO 0.00 0.03 0.53 0.35 0.09 0.00 0.00 178.83 179.83 3fwn h PHE 370 N 0.00 0.89 0.00 0.06 3.57 -1.83 0.73 116.94 120.35 3fwn h PHE 370 Ca -0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3fwn h PHE 370 Cb 0.24 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3fwn h PHE 370 CO 0.00 -0.04 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.91 3fwn h LEU 371 N 0.45 0.00 -0.67 0.59 -0.00 -1.69 -1.05 115.31 112.94 3fwn h LEU 371 Ca 0.65 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 58.40 3fwn h LEU 371 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.96 3fwn h LEU 371 CO -0.53 0.06 -0.35 -0.61 -0.00 0.00 0.00 178.44 177.01 3fwn h GLN 372 N 0.00 0.64 -0.61 1.13 5.75 -1.03 -0.74 115.11 120.26 3fwn h GLN 372 Ca -0.00 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.19 3fwn h GLN 372 Cb 0.24 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 3fwn h GLN 372 CO 0.01 0.90 0.36 0.87 -2.65 0.00 0.00 178.83 178.31 3fwn h LYS 373 N 0.54 0.82 -0.07 1.69 1.79 -1.21 -0.28 116.57 119.85 3fwn h LYS 373 Ca 0.05 -0.07 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 3fwn h LYS 373 Cb 0.86 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.34 3fwn h LYS 373 CO 0.07 0.58 -0.46 0.82 -1.08 0.00 0.00 179.45 179.39 3fwn h ILE 374 N 0.83 1.40 -0.67 1.86 2.04 -1.34 -1.94 117.51 119.70 3fwn h ILE 374 Ca 0.22 -1.85 0.11 0.00 1.00 0.00 0.00 64.86 64.34 3fwn h ILE 374 Cb -0.02 2.34 -0.08 0.00 -0.74 0.00 0.00 36.82 38.32 3fwn h ILE 374 CO -0.04 0.54 0.26 0.74 0.00 0.00 0.00 178.15 179.65 3fwn h THR 375 N -0.04 0.73 -0.54 -0.27 2.02 -0.82 -2.02 112.91 111.98 3fwn h THR 375 Ca -0.04 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 3fwn h THR 375 Cb 1.12 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3fwn h THR 375 CO 0.09 0.08 0.07 0.44 0.37 0.00 0.00 175.52 176.57 3fwn h ASP 376 N 0.43 0.82 -0.72 4.18 3.32 -0.97 -1.00 116.42 122.48 3fwn h ASP 376 Ca 0.35 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3fwn h ASP 376 Cb 0.47 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3fwn h ASP 376 CO -0.35 0.84 0.38 0.00 -1.72 0.00 0.00 179.24 178.40 3fwn h ALA 377 N 1.26 0.92 0.00 3.45 0.00 -0.64 -1.49 119.26 122.75 3fwn h ALA 377 Ca 0.17 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3fwn h ALA 377 Cb 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3fwn h ALA 377 CO 0.01 0.44 -0.59 1.88 0.00 0.00 0.00 179.25 180.99 3fwn h TYR 378 N 0.99 0.00 -0.71 0.00 -1.99 -1.18 -1.75 116.97 112.32 3fwn h TYR 378 Ca 0.25 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.92 3fwn h TYR 378 Cb 0.05 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 3fwn h TYR 378 CO -0.00 0.59 0.19 0.00 -0.00 0.00 0.00 178.16 178.94 3fwn h ALA 379 N 1.41 0.99 -0.00 3.88 0.00 -0.64 -0.75 119.26 124.14 3fwn h ALA 379 Ca -0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 3fwn h ALA 379 Cb 1.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3fwn h ALA 379 CO 0.08 0.66 -0.81 0.93 0.00 0.00 0.00 179.25 180.11 3fwn h GLU 380 N 1.07 0.11 -1.72 0.00 4.39 -1.17 -3.41 114.58 113.87 3fwn h GLU 380 Ca 0.23 -0.12 -0.35 0.00 0.34 0.00 0.00 59.36 59.46 3fwn h GLU 380 Cb 0.35 0.03 -0.28 0.00 -0.10 0.00 0.00 28.75 28.75 3fwn h GLU 380 CO -0.00 0.86 -0.70 1.21 -1.16 0.00 0.00 179.01 179.22 3fwn s ASN 381 N -6.87 0.25 0.56 1.42 3.84 -0.67 -5.01 114.94 108.47 3fwn s ASN 381 Ca -0.02 -2.03 0.26 0.00 0.21 0.00 0.00 52.86 51.28 3fwn s ASN 381 Cb 0.11 0.77 1.50 0.00 -0.55 0.00 0.00 41.25 43.08 3fwn s ASN 381 CO 0.81 -0.16 2.05 -0.65 -2.79 0.00 0.00 177.10 176.35 3fwn h PRO 382 N 6.00 0.00 -0.41 0.43 0.11 -1.38 -1.85 132.00 134.90 3fwn h PRO 382 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3fwn h PRO 382 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3fwn h PRO 382 CO 0.18 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.01 3fwn n GLN 383 N -4.09 2.09 -1.64 1.05 1.13 -1.26 -4.92 117.38 109.73 3fwn n GLN 383 Ca 0.05 -1.68 -0.47 0.00 -1.94 0.00 0.00 57.00 52.96 3fwn n GLN 383 Cb 0.43 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 29.35 3fwn n GLN 383 CO 0.00 0.00 0.00 1.51 -1.44 0.00 0.00 177.06 177.13 3fwn n ILE 384 N 0.87 0.62 0.15 5.09 3.06 -0.70 -4.86 119.36 123.59 3fwn n ILE 384 Ca 0.17 -0.16 0.01 0.00 -2.50 0.00 0.00 62.75 60.27 3fwn n ILE 384 Cb 0.42 -1.30 0.19 0.00 0.54 0.00 0.00 39.64 39.49 3fwn n ILE 384 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3fwn h ALA 385 N 4.48 0.91 -1.95 1.51 0.00 -1.94 -3.45 119.26 118.81 3fwn h ALA 385 Ca -0.45 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3fwn h ALA 385 Cb 1.29 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.77 3fwn h ALA 385 CO 0.78 0.70 0.10 1.21 0.00 0.00 0.00 179.25 182.04 3fwn s ASN 386 N -6.67 -0.83 0.61 0.00 3.84 -1.26 -4.74 114.94 105.90 3fwn s ASN 386 Ca -0.00 1.42 0.33 0.00 0.21 0.00 0.00 52.86 54.82 3fwn s ASN 386 Cb 0.12 1.39 1.91 0.00 -0.55 0.00 0.00 41.25 44.11 3fwn s ASN 386 CO 0.74 -0.23 2.23 -0.07 -2.79 0.00 0.00 177.10 176.98 3fwn h LEU 387 N 6.06 0.00 -2.57 3.21 3.38 -1.88 -1.58 115.31 121.93 3fwn h LEU 387 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3fwn h LEU 387 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3fwn h LEU 387 CO 0.12 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.56 3fwn h LEU 388 N 0.00 0.00 0.00 1.67 3.38 -1.93 -0.90 115.31 117.53 3fwn h LEU 388 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fwn h LEU 388 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3fwn h LEU 388 CO -0.00 0.02 -0.30 0.18 0.09 0.00 0.00 178.44 178.42 3fwn n LEU 389 N -3.38 0.63 -4.76 1.67 4.77 -0.59 -3.09 117.00 112.24 3fwn n LEU 389 Ca -0.03 0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.91 3fwn n LEU 389 Cb 0.12 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 3fwn n LEU 389 CO 0.24 -0.07 0.91 0.00 -1.33 0.00 0.00 177.39 177.14 3fwn s ALA 390 N -3.10 3.47 0.25 -1.18 0.00 -0.34 -4.78 121.76 116.08 3fwn s ALA 390 Ca 0.09 1.12 -0.05 0.00 0.00 0.00 0.00 51.96 53.12 3fwn s ALA 390 Cb 0.14 -3.43 0.48 0.00 0.00 0.00 0.00 23.12 20.32 3fwn s ALA 390 CO 0.65 -0.46 1.65 -1.35 0.00 0.00 0.00 175.76 176.25 3fwn h PRO 391 N 3.73 0.15 -0.17 0.00 0.11 -1.88 -0.09 132.00 133.85 3fwn h PRO 391 Ca -0.48 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3fwn h PRO 391 Cb 1.22 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3fwn h PRO 391 CO 0.67 0.10 -0.01 -0.92 -0.21 0.00 0.00 178.00 177.63 3fwn h TYR 392 N 0.15 -0.02 -0.19 0.65 3.20 -1.93 -1.40 116.97 117.43 3fwn h TYR 392 Ca 0.43 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 62.13 3fwn h TYR 392 Cb 0.78 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.09 3fwn h TYR 392 CO -0.36 -0.03 -0.64 0.74 -1.64 0.00 0.00 178.16 176.23 3fwn h PHE 393 N 0.05 0.88 -0.87 -3.82 0.04 -1.53 -2.10 116.94 109.58 3fwn h PHE 393 Ca 0.08 -0.34 0.01 0.00 2.80 0.00 0.00 57.97 60.52 3fwn h PHE 393 Cb 0.10 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.05 3fwn h PHE 393 CO -0.17 1.13 0.58 -0.22 -0.60 0.00 0.00 178.31 179.03 3fwn h LYS 394 N 0.50 1.14 -0.05 1.51 3.11 -0.99 -0.49 116.57 121.31 3fwn h LYS 394 Ca -0.01 -0.07 -0.16 0.00 -2.81 0.00 0.00 60.65 57.60 3fwn h LYS 394 Cb 1.23 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 32.19 3fwn h LYS 394 CO 0.13 0.75 -0.70 1.96 -2.81 0.00 0.00 179.45 178.78 3fwn h GLN 395 N 1.17 0.23 -0.73 1.90 4.20 -1.13 -0.46 115.11 120.30 3fwn h GLN 395 Ca 0.32 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3fwn h GLN 395 Cb -0.12 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 3fwn h GLN 395 CO -0.08 0.84 0.36 0.82 -0.67 0.00 0.00 178.83 180.10 3fwn h ILE 396 N 0.16 1.23 -0.81 2.54 1.08 -0.97 -0.88 117.51 119.87 3fwn h ILE 396 Ca -0.02 -0.64 -0.04 0.00 -0.39 0.00 0.00 64.86 63.77 3fwn h ILE 396 Cb 1.25 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 3fwn h ILE 396 CO 0.11 0.27 0.34 0.00 -0.69 0.00 0.00 178.15 178.18 3fwn h ALA 397 N 1.18 1.05 -0.56 1.87 0.00 -0.65 0.13 119.26 122.28 3fwn h ALA 397 Ca 0.25 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3fwn h ALA 397 Cb 0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3fwn h ALA 397 CO -0.03 0.66 0.30 -0.44 0.00 0.00 0.00 179.25 179.74 3fwn h ASP 398 N 1.17 0.44 0.60 0.00 3.32 -0.67 -1.86 116.42 119.43 3fwn h ASP 398 Ca 0.27 0.03 -0.21 0.00 0.02 0.00 0.00 57.03 57.14 3fwn h ASP 398 Cb 0.20 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3fwn h ASP 398 CO -0.02 0.30 -0.94 0.44 -1.72 0.00 0.00 179.24 177.29 3fwn h ASP 399 N 0.58 0.28 -0.00 6.45 3.32 -0.53 -3.38 116.42 123.13 3fwn h ASP 399 Ca 0.25 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fwn h ASP 399 Cb 0.14 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3fwn h ASP 399 CO -0.16 1.08 -0.49 -1.22 -1.72 0.00 0.00 179.24 176.72 3fwn n TYR 400 N -3.62 0.00 0.03 4.55 4.02 0.41 -4.56 117.16 117.99 3fwn n TYR 400 Ca -0.04 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.87 3fwn n TYR 400 Cb 0.85 0.00 0.37 0.00 -0.02 0.00 0.00 39.34 40.54 3fwn n TYR 400 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3fwn h GLN 401 N 0.47 0.46 -0.62 -0.72 3.07 -1.52 -2.12 115.11 114.13 3fwn h GLN 401 Ca 0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 58.65 58.61 3fwn h GLN 401 Cb 0.35 -0.08 -0.03 0.00 0.08 0.00 0.00 27.48 27.80 3fwn h GLN 401 CO 0.00 0.43 0.14 0.37 0.09 0.00 0.00 178.83 179.86 3fwn h GLN 402 N 0.45 0.99 -0.41 0.06 5.75 -1.84 -0.05 115.11 120.06 3fwn h GLN 402 Ca 0.11 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 3fwn h GLN 402 Cb 0.19 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3fwn h GLN 402 CO -0.00 0.89 0.16 0.00 -2.65 0.00 0.00 178.83 177.23 3fwn h ALA 403 N 1.20 0.53 -0.31 3.38 0.00 -1.73 -0.24 119.26 122.10 3fwn h ALA 403 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3fwn h ALA 403 Cb 0.36 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3fwn h ALA 403 CO 0.00 0.14 0.11 1.25 0.00 0.00 0.00 179.25 180.75 3fwn h LEU 404 N 0.51 0.13 -0.90 0.00 5.85 -1.05 -0.43 115.31 119.42 3fwn h LEU 404 Ca 0.14 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3fwn h LEU 404 Cb 0.19 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3fwn h LEU 404 CO -0.01 0.11 0.60 0.03 -0.34 0.00 0.00 178.44 178.83 3fwn h ARG 405 N 0.25 1.17 -0.60 1.25 3.08 -0.75 -0.88 114.38 117.91 3fwn h ARG 405 Ca 0.14 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 3fwn h ARG 405 Cb 0.10 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3fwn h ARG 405 CO -0.13 0.78 0.18 -0.44 -1.07 0.00 0.00 179.97 179.28 3fwn h ASP 406 N 1.21 0.88 -0.33 7.04 3.32 -0.61 -0.57 116.42 127.37 3fwn h ASP 406 Ca 0.34 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3fwn h ASP 406 Cb -0.11 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 3fwn h ASP 406 CO -0.08 0.86 -0.04 0.58 -1.72 0.00 0.00 179.24 178.84 3fwn h VAL 407 N 0.85 1.27 -0.42 -1.35 2.07 -0.80 -1.14 116.25 116.73 3fwn h VAL 407 Ca 0.19 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 3fwn h VAL 407 Cb 0.30 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3fwn h VAL 407 CO -0.00 0.34 0.04 0.58 0.02 0.00 0.00 177.57 178.55 3fwn h VAL 408 N 0.40 1.25 -0.87 2.57 2.07 -1.05 -0.17 116.25 120.45 3fwn h VAL 408 Ca 0.09 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3fwn h VAL 408 Cb 0.52 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3fwn h VAL 408 CO 0.03 0.33 0.56 0.00 0.02 0.00 0.00 177.57 178.50 3fwn h ALA 409 N 0.92 1.11 -0.05 1.67 0.00 -1.03 -0.67 119.26 121.21 3fwn h ALA 409 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fwn h ALA 409 Cb 0.43 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fwn h ALA 409 CO 0.01 0.54 0.00 -0.92 0.00 0.00 0.00 179.25 178.88 3fwn h TYR 410 N 1.19 0.10 -0.55 0.00 3.20 -0.97 -1.89 116.97 118.04 3fwn h TYR 410 Ca 0.32 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.22 3fwn h TYR 410 Cb -0.10 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 3fwn h TYR 410 CO -0.01 0.36 0.28 0.00 -1.64 0.00 0.00 178.16 177.16 3fwn h ALA 411 N 0.72 0.70 -0.23 1.82 0.00 -0.79 -1.57 119.26 119.92 3fwn h ALA 411 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3fwn h ALA 411 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fwn h ALA 411 CO 0.00 -0.07 -0.04 0.28 0.00 0.00 0.00 179.25 179.42 3fwn h VAL 412 N 0.53 1.17 -0.04 0.00 2.07 -1.08 0.45 116.25 119.35 3fwn h VAL 412 Ca 0.24 -0.68 -0.16 0.00 0.82 0.00 0.00 66.70 66.92 3fwn h VAL 412 Cb 0.15 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3fwn h VAL 412 CO -0.17 0.23 -0.69 1.56 0.02 0.00 0.00 177.57 178.52 3fwn h GLN 413 N 0.34 0.21 -0.01 1.57 1.08 -0.61 -3.23 115.11 114.45 3fwn h GLN 413 Ca 0.07 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3fwn h GLN 413 Cb 0.30 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3fwn h GLN 413 CO 0.01 0.81 -0.48 0.44 -0.95 0.00 0.00 178.83 178.67 3fwn n ILE 414 N -3.80 0.00 -0.36 2.54 -5.35 -0.66 -4.81 119.36 106.92 3fwn n ILE 414 Ca -0.03 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3fwn n ILE 414 Cb 0.68 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 3fwn n ILE 414 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fwn n GLY 415 N 1.41 0.80 3.65 3.28 0.00 0.06 -4.70 105.19 109.69 3fwn n GLY 415 Ca 0.09 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3fwn n GLY 415 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwn s ILE 416 N -2.00 5.09 0.15 -0.61 1.01 -0.65 -5.02 121.20 119.17 3fwn s ILE 416 Ca 0.00 0.95 -0.31 0.00 0.00 0.00 0.00 60.65 61.30 3fwn s ILE 416 Cb 0.00 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 3fwn s ILE 416 CO 0.00 0.16 1.34 -2.16 0.00 0.00 0.00 174.94 174.28 3fwn s PRO 417 N 1.76 4.36 -0.48 2.79 0.04 -1.26 -4.38 135.00 137.83 3fwn s PRO 417 Ca 0.24 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.40 3fwn s PRO 417 Cb -0.15 -3.23 0.29 0.00 0.04 0.00 0.00 34.50 31.44 3fwn s PRO 417 CO 0.09 -0.34 0.69 1.33 0.04 0.00 0.00 177.00 178.82 3fwn n VAL 418 N 3.35 0.79 -0.23 -0.36 0.24 -1.26 -4.92 118.33 115.93 3fwn n VAL 418 Ca 0.09 -4.70 -0.02 0.00 -2.04 0.00 0.00 64.34 57.67 3fwn n VAL 418 Cb 0.43 -1.52 0.09 0.00 -1.47 0.00 0.00 33.84 31.37 3fwn n VAL 418 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3fwn h PRO 419 N 3.65 0.67 0.08 7.34 0.13 -1.95 -0.82 132.00 141.09 3fwn h PRO 419 Ca 0.12 -0.04 -0.26 0.00 -0.87 0.00 0.00 66.00 64.95 3fwn h PRO 419 Cb 0.79 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 3fwn h PRO 419 CO 0.62 0.44 -1.27 1.79 -0.23 0.00 0.00 178.00 179.35 3fwn h THR 420 N 0.69 1.44 -0.46 1.56 1.35 -1.90 -0.34 112.91 115.25 3fwn h THR 420 Ca 0.29 -3.09 -0.09 0.00 -0.55 0.00 0.00 66.41 62.97 3fwn h THR 420 Cb 0.16 2.83 -0.02 0.00 -1.73 0.00 0.00 68.15 69.39 3fwn h THR 420 CO -0.17 0.87 -0.07 -0.26 -0.25 0.00 0.00 175.52 175.64 3fwn h PHE 421 N 0.04 0.87 0.01 4.73 -1.00 -1.94 0.43 116.94 120.08 3fwn h PHE 421 Ca -0.13 -0.15 -0.20 0.00 2.81 0.00 0.00 57.97 60.30 3fwn h PHE 421 Cb 1.92 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 41.25 3fwn h PHE 421 CO 0.04 0.84 -0.90 0.66 -1.61 0.00 0.00 178.31 177.34 3fwn h SER 422 N 0.73 0.29 0.03 2.17 4.64 -1.17 -2.45 113.55 117.79 3fwn h SER 422 Ca 0.13 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 3fwn h SER 422 Cb 0.55 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3fwn h SER 422 CO 0.03 1.05 -0.17 0.00 -0.87 0.00 0.00 176.83 176.87 3fwn h ALA 423 N 0.93 1.41 -0.53 5.18 0.00 -0.75 -1.56 119.26 123.93 3fwn h ALA 423 Ca -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3fwn h ALA 423 Cb 1.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3fwn h ALA 423 CO 0.14 0.41 0.17 0.00 0.00 0.00 0.00 179.25 179.97 3fwn h ALA 424 N 1.57 0.69 -0.42 0.00 0.00 -0.52 0.03 119.26 120.61 3fwn h ALA 424 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3fwn h ALA 424 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3fwn h ALA 424 CO 0.03 0.35 0.03 0.28 0.00 0.00 0.00 179.25 179.93 3fwn h VAL 425 N 0.73 1.25 -0.32 0.00 2.07 -1.08 -0.74 116.25 118.16 3fwn h VAL 425 Ca 0.17 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3fwn h VAL 425 Cb 0.27 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3fwn h VAL 425 CO -0.01 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.92 3fwn h ALA 426 N 0.91 1.40 -0.03 1.67 0.00 -1.08 -0.37 119.26 121.77 3fwn h ALA 426 Ca 0.12 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3fwn h ALA 426 Cb 0.44 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fwn h ALA 426 CO 0.02 0.42 -0.70 -0.92 0.00 0.00 0.00 179.25 178.07 3fwn h TYR 427 N 0.48 0.75 -0.47 0.00 3.20 -0.82 -1.02 116.97 119.10 3fwn h TYR 427 Ca 0.10 -0.39 0.04 0.00 3.14 0.00 0.00 58.73 61.62 3fwn h TYR 427 Cb 0.31 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3fwn h TYR 427 CO 0.01 1.21 0.23 -0.92 -1.64 0.00 0.00 178.16 177.05 3fwn h TYR 428 N 0.09 0.43 0.00 -3.82 3.20 -0.77 0.39 116.97 116.48 3fwn h TYR 428 Ca -0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3fwn h TYR 428 Cb 1.38 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.52 3fwn h TYR 428 CO 0.13 0.21 0.00 -0.44 -1.64 0.00 0.00 178.16 176.42 3fwn h ASP 429 N 0.46 0.00 0.13 -2.11 3.32 -1.06 -2.38 116.42 114.79 3fwn h ASP 429 Ca 0.20 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.90 3fwn h ASP 429 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3fwn h ASP 429 CO -0.14 0.00 -1.88 0.28 -1.72 0.00 0.00 179.24 175.78 3fwn h SER 430 N 0.00 0.43 -0.04 6.45 0.02 -0.49 -3.31 113.55 116.60 3fwn h SER 430 Ca 0.00 -0.92 -0.04 0.00 -0.84 0.00 0.00 61.79 59.99 3fwn h SER 430 Cb 0.62 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3fwn h SER 430 CO 0.00 1.82 -0.08 0.22 -1.14 0.00 0.00 176.83 177.65 3fwn h TYR 431 N -0.01 0.29 -0.15 3.45 3.20 -0.22 -2.33 116.97 121.20 3fwn h TYR 431 Ca -0.40 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3fwn h TYR 431 Cb 1.99 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 40.17 3fwn h TYR 431 CO 0.09 0.37 0.00 2.89 -1.64 0.00 0.00 178.16 179.87 3fwn n ARG 432 N -4.30 1.74 -3.14 1.82 1.85 -0.90 -4.86 116.66 108.87 3fwn n ARG 432 Ca -0.00 -1.11 -0.41 0.00 -1.00 0.00 0.00 57.85 55.33 3fwn n ARG 432 Cb 0.24 -1.41 -0.07 0.00 -1.05 0.00 0.00 32.46 30.17 3fwn n ARG 432 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3fwn s ALA 433 N -1.81 3.54 0.32 2.89 0.00 -0.88 -4.92 121.76 120.89 3fwn s ALA 433 Ca 0.33 -0.66 0.15 0.00 0.00 0.00 0.00 51.96 51.78 3fwn s ALA 433 Cb 0.18 -3.06 0.73 0.00 0.00 0.00 0.00 23.12 20.98 3fwn s ALA 433 CO 0.27 -1.02 1.80 0.00 0.00 0.00 0.00 175.76 176.81 3fwn h ALA 434 N 8.18 1.22 -3.49 0.00 0.00 -1.89 -3.42 119.26 119.87 3fwn h ALA 434 Ca -0.27 -0.35 -0.44 0.00 0.00 0.00 0.00 54.91 53.85 3fwn h ALA 434 Cb 1.12 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 18.52 3fwn h ALA 434 CO 0.78 0.48 -0.79 0.08 0.00 0.00 0.00 179.25 179.81 3fwn s VAL 435 N -3.97 0.74 0.37 0.00 1.01 -1.26 -5.15 120.40 112.15 3fwn s VAL 435 Ca -0.02 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.79 3fwn s VAL 435 Cb 0.13 -0.72 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 3fwn s VAL 435 CO 0.71 0.26 -0.04 -0.76 0.00 0.00 0.00 175.10 175.27 3fwn s LEU 436 N 0.74 2.82 0.00 3.92 1.43 -1.26 -5.02 118.68 121.30 3fwn s LEU 436 Ca -0.12 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 3fwn s LEU 436 Cb -0.14 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.08 3fwn s LEU 436 CO 0.01 -0.31 0.55 -0.81 0.23 0.00 0.00 176.35 176.02 3fwn n PRO 437 N -0.89 0.82 0.10 1.29 -0.04 -1.26 -3.55 135.00 131.47 3fwn n PRO 437 Ca -0.05 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.51 3fwn n PRO 437 Cb 0.65 -1.27 0.43 0.00 -0.04 0.00 0.00 33.50 33.27 3fwn n PRO 437 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fwn n ALA 438 N -0.11 1.52 -0.35 0.55 0.00 -1.26 -1.45 120.51 119.40 3fwn n ALA 438 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 3fwn n ALA 438 Cb 0.14 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.37 3fwn n ALA 438 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3fwn h ASN 439 N 0.00 1.08 -0.30 0.00 -1.07 -2.00 -0.22 115.58 113.07 3fwn h ASN 439 Ca 0.00 -0.03 -0.13 0.00 0.07 0.00 0.00 56.30 56.21 3fwn h ASN 439 Cb 0.26 -0.27 -0.01 0.00 -2.07 0.00 0.00 38.32 36.23 3fwn h ASN 439 CO 0.00 0.78 -0.29 0.25 0.07 0.00 0.00 177.43 178.24 3fwn h LEU 440 N 1.27 0.84 -0.79 6.14 5.85 -1.57 -1.32 115.31 125.73 3fwn h LEU 440 Ca 0.35 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3fwn h LEU 440 Cb -0.13 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.63 3fwn h LEU 440 CO -0.08 1.08 0.43 0.40 -0.34 0.00 0.00 178.44 179.92 3fwn h ILE 441 N 0.69 1.24 -0.29 4.05 2.04 -1.44 0.02 117.51 123.82 3fwn h ILE 441 Ca 0.08 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 3fwn h ILE 441 Cb 0.83 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3fwn h ILE 441 CO 0.07 0.27 -0.18 1.56 0.00 0.00 0.00 178.15 179.87 3fwn h GLN 442 N 1.10 0.52 -0.28 2.37 1.08 -0.81 -1.23 115.11 117.86 3fwn h GLN 442 Ca 0.28 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 3fwn h GLN 442 Cb 0.04 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3fwn h GLN 442 CO -0.04 0.68 -0.09 0.00 -0.95 0.00 0.00 178.83 178.43 3fwn h ALA 443 N 1.34 0.38 -0.40 3.87 0.00 -0.65 -1.05 119.26 122.75 3fwn h ALA 443 Ca 0.08 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3fwn h ALA 443 Cb 0.58 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3fwn h ALA 443 CO 0.04 0.22 0.20 1.96 0.00 0.00 0.00 179.25 181.67 3fwn h GLN 444 N 0.30 0.39 -0.54 0.00 4.20 -0.75 0.55 115.11 119.26 3fwn h GLN 444 Ca 0.07 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3fwn h GLN 444 Cb 0.58 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3fwn h GLN 444 CO 0.03 0.26 0.27 0.00 -0.67 0.00 0.00 178.83 178.72 3fwn h ARG 445 N 0.40 0.76 -0.21 1.46 3.08 -1.05 0.22 114.38 119.05 3fwn h ARG 445 Ca 0.17 -0.09 -0.21 0.00 0.07 0.00 0.00 59.98 59.93 3fwn h ARG 445 Cb 0.09 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 29.99 3fwn h ARG 445 CO -0.13 0.58 -0.68 0.22 -1.07 0.00 0.00 179.97 178.90 3fwn h ASP 446 N 0.76 0.94 0.66 7.04 3.58 -0.64 -0.16 116.42 128.60 3fwn h ASP 446 Ca 0.19 -0.57 -0.03 0.00 0.42 0.00 0.00 57.03 57.04 3fwn h ASP 446 Cb 0.07 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 40.85 3fwn h ASP 446 CO -0.03 1.36 -0.32 0.22 -2.88 0.00 0.00 179.24 177.60 3fwn h TYR 447 N 0.58 -0.82 0.00 0.28 -0.00 -0.33 -0.60 116.97 116.08 3fwn h TYR 447 Ca -0.02 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 58.64 3fwn h TYR 447 Cb 1.30 0.27 -0.01 0.00 -0.00 0.00 0.00 36.73 38.29 3fwn h TYR 447 CO 0.08 -0.48 -0.66 0.27 -0.00 0.00 0.00 178.16 177.37 3fwn h PHE 448 N -0.99 0.00 0.00 -3.82 -5.15 -1.05 -3.38 116.94 102.55 3fwn h PHE 448 Ca -0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.68 3fwn h PHE 448 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.88 3fwn h PHE 448 CO -0.01 0.20 0.00 0.41 -2.00 0.00 0.00 178.31 176.91 3fwn n GLY 449 N 1.20 -0.05 3.67 6.09 0.00 -0.11 -5.01 105.19 110.98 3fwn n GLY 449 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3fwn n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwn n ALA 450 N -0.12 -1.22 0.76 4.61 0.00 -0.23 -4.86 120.51 119.45 3fwn n ALA 450 Ca 0.00 0.25 0.11 0.00 0.00 0.00 0.00 53.44 53.81 3fwn n ALA 450 Cb 0.20 -4.52 0.49 0.00 0.00 0.00 0.00 19.45 15.62 3fwn n ALA 450 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fwn n HIS 451 N -4.68 0.12 -0.58 0.00 8.25 -1.13 -4.95 115.22 112.25 3fwn n HIS 451 Ca 0.01 0.04 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 3fwn n HIS 451 Cb 0.55 -0.56 -0.04 0.00 1.12 0.00 0.00 29.99 31.05 3fwn n HIS 451 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3fwn n THR 452 N -1.60 -0.37 -4.01 1.59 -2.24 -1.26 -4.94 114.28 101.45 3fwn n THR 452 Ca 0.05 0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 62.12 3fwn n THR 452 Cb 0.28 -0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 67.86 3fwn n THR 452 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fwn s TYR 453 N -3.49 0.51 0.24 4.78 1.13 0.23 -4.77 117.35 115.98 3fwn s TYR 453 Ca 0.00 -0.85 0.08 0.00 -1.41 0.00 0.00 57.07 54.88 3fwn s TYR 453 Cb 0.00 -0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.73 3fwn s TYR 453 CO 0.00 -0.75 0.12 0.15 -2.51 0.00 0.00 175.55 172.56 3fwn s LYS 454 N -4.01 2.72 0.27 -3.49 1.02 -1.26 -0.33 119.74 114.66 3fwn s LYS 454 Ca 0.21 -1.14 0.11 0.00 0.02 0.00 0.00 55.97 55.17 3fwn s LYS 454 Cb 0.03 -2.45 -0.05 0.00 -0.52 0.00 0.00 37.83 34.85 3fwn s LYS 454 CO 0.03 0.40 -0.09 1.03 -0.92 0.00 0.00 175.35 175.80 3fwn s ARG 455 N -3.66 2.02 0.00 1.68 0.52 -1.26 -5.00 118.95 113.25 3fwn s ARG 455 Ca 0.32 -1.56 0.28 0.00 -0.52 0.00 0.00 55.73 54.24 3fwn s ARG 455 Cb -0.08 -1.99 1.05 0.00 0.52 0.00 0.00 34.95 34.45 3fwn s ARG 455 CO 0.23 0.35 1.75 0.44 0.02 0.00 0.00 175.30 178.10 3fwn n ILE 456 N -0.74 0.00 -0.22 1.52 -5.35 -1.26 -4.19 119.36 109.12 3fwn n ILE 456 Ca -0.06 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 3fwn n ILE 456 Cb 0.59 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 3fwn n ILE 456 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3fwn n ASP 457 N -0.91 0.93 -3.47 7.28 5.75 -1.26 -5.06 116.55 119.81 3fwn n ASP 457 Ca 0.13 -1.14 -0.12 0.00 -0.01 0.00 0.00 54.79 53.64 3fwn n ASP 457 Cb 0.30 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 3fwn n ASP 457 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3fwn s LYS 458 N -0.14 1.09 0.55 0.11 -2.85 -1.26 -5.16 119.74 112.08 3fwn s LYS 458 Ca 0.00 -0.24 -0.16 0.00 -1.00 0.00 0.00 55.97 54.57 3fwn s LYS 458 Cb 0.00 0.51 -0.06 0.00 -2.06 0.00 0.00 37.83 36.22 3fwn s LYS 458 CO 0.00 -0.44 1.02 -1.21 0.10 0.00 0.00 175.35 174.81 3fwn s GLU 459 N -2.90 3.67 0.00 1.78 0.41 -1.26 -4.31 118.70 116.09 3fwn s GLU 459 Ca -0.01 1.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.61 3fwn s GLU 459 Cb -0.01 -2.09 0.00 0.00 -1.78 0.00 0.00 34.13 30.25 3fwn s GLU 459 CO -0.06 -0.51 0.00 0.41 -0.49 0.00 0.00 175.26 174.61 3fwn n GLY 460 N -1.36 1.80 3.61 -1.39 0.00 -1.26 -4.99 105.19 101.60 3fwn n GLY 460 Ca 0.07 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 3fwn n GLY 460 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwn s VAL 461 N -1.66 3.84 0.08 1.61 1.01 -1.26 -4.42 120.40 119.60 3fwn s VAL 461 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3fwn s VAL 461 Cb 0.00 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3fwn s VAL 461 CO 0.00 0.53 -0.10 -0.36 0.00 0.00 0.00 175.10 175.17 3fwn s PHE 462 N -0.89 0.95 -0.05 5.22 0.40 0.55 -4.94 117.98 119.22 3fwn s PHE 462 Ca 0.14 -0.62 -0.02 0.00 -0.60 0.00 0.00 56.93 55.83 3fwn s PHE 462 Cb -0.11 -0.54 0.03 0.00 0.51 0.00 0.00 43.02 42.91 3fwn s PHE 462 CO 0.04 -0.03 0.11 -1.58 0.70 0.00 0.00 175.22 174.46 3fwn s HIS 463 N -2.14 -0.11 0.19 0.36 2.46 -1.26 -0.60 115.29 114.19 3fwn s HIS 463 Ca 0.01 0.38 0.10 0.00 0.47 0.00 0.00 55.06 56.01 3fwn s HIS 463 Cb -0.05 -0.10 -0.04 0.00 -0.13 0.00 0.00 32.58 32.26 3fwn s HIS 463 CO -0.00 -0.13 -0.13 0.99 -2.47 0.00 0.00 174.74 173.00 3fwn s THR 464 N 0.98 2.97 -0.77 0.89 2.01 -1.26 -5.06 115.64 115.40 3fwn s THR 464 Ca -0.08 -1.81 -0.13 0.00 0.31 0.00 0.00 61.69 59.99 3fwn s THR 464 Cb -0.10 -2.47 0.20 0.00 0.01 0.00 0.00 72.50 70.14 3fwn s THR 464 CO -0.04 -0.15 0.70 -1.61 -0.69 0.00 0.00 174.62 172.83 3fwn s GLU 465 N -2.88 3.41 0.51 4.92 0.41 -1.26 -4.84 118.70 118.97 3fwn s GLU 465 Ca 0.25 -2.38 0.30 0.00 -0.41 0.00 0.00 54.97 52.73 3fwn s GLU 465 Cb -0.08 -4.33 1.25 0.00 -1.78 0.00 0.00 34.13 29.19 3fwn s GLU 465 CO 0.14 -1.28 1.95 -1.49 -0.49 0.00 0.00 175.26 174.09 3fwn h TRP 466 N 7.83 0.00 0.00 1.61 4.06 -1.95 -3.26 115.95 124.24 3fwn h TRP 466 Ca 0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 3fwn h TRP 466 Cb 1.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.20 3fwn h TRP 466 CO 0.96 0.10 0.00 1.28 -3.56 0.00 0.00 178.44 177.22 3fwn n LEU 467 N -3.26 0.35 -0.26 -4.49 4.77 -1.26 -5.21 117.00 107.64 3fwn n LEU 467 Ca 0.00 0.66 0.15 0.00 -0.03 0.00 0.00 56.01 56.78 3fwn n LEU 467 Cb 0.33 -0.30 0.72 0.00 -2.33 0.00 0.00 43.42 41.85 3fwn n LEU 467 CO 0.29 -0.30 0.98 -0.90 -1.33 0.00 0.00 177.39 176.14