#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ife h PHE -4 N 0.00 -0.22 -0.30 -0.72 0.04 -2.05 0.43 116.94 114.13 3ife h PHE -4 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3ife h PHE -4 Cb 0.00 0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 3ife h PHE -4 CO 0.00 -0.15 0.13 0.37 -0.60 0.00 0.00 178.31 178.06 3ife h GLN -3 N -0.05 0.43 -0.61 1.51 4.15 -2.05 -1.59 115.11 116.91 3ife h GLN -3 Ca 0.13 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.38 3ife h GLN -3 Cb 0.24 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3ife h GLN -3 CO -0.29 0.44 0.00 0.77 -1.93 0.00 0.00 178.83 177.82 3ife h SER -2 N 0.33 1.05 0.04 -0.69 0.02 -1.95 -0.88 113.55 111.48 3ife h SER -2 Ca 0.10 -0.30 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3ife h SER -2 Cb 0.16 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3ife h SER -2 CO -0.01 1.10 -0.16 0.78 -1.14 0.00 0.00 176.83 177.41 3ife h ASN -1 N 0.98 -0.44 -0.74 3.07 2.35 -0.77 0.13 115.58 120.16 3ife h ASN -1 Ca 0.17 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3ife h ASN -1 Cb 0.56 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 3ife h ASN -1 CO 0.03 -0.22 0.41 0.00 -1.65 0.00 0.00 177.43 176.00 3ife h ALA 0 N 0.63 0.94 0.15 -0.83 0.00 -1.15 -2.58 119.26 116.42 3ife h ALA 0 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ife h ALA 0 Cb 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ife h ALA 0 CO -0.12 0.45 -0.07 0.52 0.00 0.00 0.00 179.25 180.03 3ife h MET 1 N 1.01 -0.19 -0.34 0.00 2.86 -0.90 -2.43 114.93 114.95 3ife h MET 1 Ca 0.26 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.94 3ife h MET 1 Cb 0.03 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3ife h MET 1 CO -0.04 0.11 0.15 -0.22 1.06 0.00 0.00 176.91 177.97 3ife h LYS 2 N -0.50 0.31 -0.60 1.72 3.64 -0.96 -0.14 116.57 120.03 3ife h LYS 2 Ca -0.02 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3ife h LYS 2 Cb 0.39 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3ife h LYS 2 CO 0.03 0.20 0.05 0.93 -2.27 0.00 0.00 179.45 178.40 3ife h GLU 3 N 0.32 1.01 -0.42 1.90 4.39 -1.51 -1.62 114.58 118.64 3ife h GLU 3 Ca 0.15 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 3ife h GLU 3 Cb 0.08 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3ife h GLU 3 CO -0.12 0.96 -0.17 1.49 -1.16 0.00 0.00 179.01 180.01 3ife h GLU 4 N 0.93 0.86 -0.25 2.33 4.81 -1.13 -1.07 114.58 121.06 3ife h GLU 4 Ca 0.18 -0.36 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 3ife h GLU 4 Cb 0.47 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3ife h GLU 4 CO 0.02 1.00 0.10 -0.07 -0.73 0.00 0.00 179.01 179.33 3ife h LEU 5 N 0.68 0.13 -0.46 1.64 3.38 -0.83 -1.20 115.31 118.64 3ife h LEU 5 Ca 0.10 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3ife h LEU 5 Cb 0.73 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3ife h LEU 5 CO 0.06 0.11 0.01 0.40 0.09 0.00 0.00 178.44 179.10 3ife h ILE 6 N 0.22 1.26 0.29 1.22 2.04 -1.26 -0.77 117.51 120.51 3ife h ILE 6 Ca 0.11 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3ife h ILE 6 Cb 0.06 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3ife h ILE 6 CO -0.09 0.36 -0.15 -0.08 0.00 0.00 0.00 178.15 178.19 3ife h GLU 7 N 0.66 -0.39 -0.13 2.37 4.81 -0.96 -0.74 114.58 120.20 3ife h GLU 7 Ca 0.13 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3ife h GLU 7 Cb 0.49 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 3ife h GLU 7 CO 0.02 -0.26 -0.03 0.00 -0.73 0.00 0.00 179.01 178.01 3ife h ARG 8 N -0.40 0.25 -0.37 1.92 3.08 -1.26 -2.77 114.38 114.84 3ife h ARG 8 Ca -0.04 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 59.94 3ife h ARG 8 Cb 0.32 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3ife h ARG 8 CO 0.05 0.54 0.19 0.35 -1.07 0.00 0.00 179.97 180.04 3ife h PHE 9 N -0.06 0.35 -0.31 3.04 3.57 -1.09 -0.93 116.94 121.51 3ife h PHE 9 Ca 0.03 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.61 3ife h PHE 9 Cb 0.45 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3ife h PHE 9 CO 0.05 0.19 -0.03 1.15 -2.23 0.00 0.00 178.31 177.44 3ife h THR 10 N 0.39 0.73 -0.36 4.41 2.02 -1.18 -1.60 112.91 117.31 3ife h THR 10 Ca 0.15 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.34 3ife h THR 10 Cb 0.05 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 3ife h THR 10 CO -0.10 0.01 0.17 -0.09 0.37 0.00 0.00 175.52 175.88 3ife h ARG 11 N 0.05 0.35 -0.55 6.66 2.43 -1.12 -3.01 114.38 119.19 3ife h ARG 11 Ca 0.15 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 3ife h ARG 11 Cb 0.22 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3ife h ARG 11 CO -0.28 0.23 -0.07 1.88 -1.51 0.00 0.00 179.97 180.21 3ife h TYR 12 N 0.36 1.10 0.00 2.20 0.05 -0.71 -2.96 116.97 117.01 3ife h TYR 12 Ca 0.16 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 3ife h TYR 12 Cb 0.08 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.53 3ife h TYR 12 CO -0.11 1.01 -0.15 -0.39 -1.05 0.00 0.00 178.16 177.48 3ife h VAL 13 N 0.90 0.46 0.00 -2.88 -1.51 -1.18 -2.21 116.25 109.83 3ife h VAL 13 Ca 0.15 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 3ife h VAL 13 Cb 0.62 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 3ife h VAL 13 CO 0.04 0.15 0.00 0.29 -1.23 0.00 0.00 177.57 176.82 3ife n LYS 14 N -3.43 0.15 -3.45 5.19 5.02 -1.12 -4.40 118.16 116.12 3ife n LYS 14 Ca -0.01 0.10 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 3ife n LYS 14 Cb 0.33 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 3ife n LYS 14 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ife s ILE 15 N -2.80 5.24 -0.38 -0.18 1.01 -0.83 -4.62 121.20 118.64 3ife s ILE 15 Ca 0.16 0.57 -0.29 0.00 0.00 0.00 0.00 60.65 61.09 3ife s ILE 15 Cb 0.15 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3ife s ILE 15 CO 0.38 0.27 1.51 -0.62 0.00 0.00 0.00 174.94 176.48 3ife s ASP 16 N 1.08 6.23 -0.11 3.58 3.68 -1.26 -4.83 116.67 125.03 3ife s ASP 16 Ca 0.16 0.98 0.15 0.00 2.13 0.00 0.00 52.55 55.97 3ife s ASP 16 Cb -0.14 -2.54 0.26 0.00 -1.45 0.00 0.00 42.92 39.05 3ife s ASP 16 CO 0.07 -1.49 1.13 0.35 0.13 0.00 0.00 175.17 175.36 3ife n THR 17 N 7.13 1.55 -1.74 1.71 -2.24 -1.26 -4.10 114.28 115.33 3ife n THR 17 Ca 0.18 -1.95 -0.42 0.00 -2.27 0.00 0.00 64.05 59.59 3ife n THR 17 Cb 0.48 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3ife n THR 17 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3ife n GLN 18 N -1.10 2.58 -2.50 -0.78 7.27 -1.26 -2.50 117.38 119.09 3ife n GLN 18 Ca 0.13 0.91 -0.26 0.00 0.07 0.00 0.00 57.00 57.86 3ife n GLN 18 Cb 0.67 -2.65 0.03 0.00 2.41 0.00 0.00 30.24 30.70 3ife n GLN 18 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3ife s SER 19 N 0.20 5.56 -0.21 1.69 1.04 -1.16 -4.70 113.70 116.11 3ife s SER 19 Ca 0.60 0.57 -0.04 0.00 0.48 0.00 0.00 55.95 57.57 3ife s SER 19 Cb -0.51 -1.58 0.10 0.00 0.10 0.00 0.00 66.02 64.13 3ife s SER 19 CO 0.55 -1.04 0.26 0.21 0.98 0.00 0.00 173.24 174.19 3ife s ASN 20 N -4.31 1.08 0.59 7.02 3.84 -1.26 -4.72 114.94 117.18 3ife s ASN 20 Ca 0.54 -0.09 0.36 0.00 0.21 0.00 0.00 52.86 53.87 3ife s ASN 20 Cb -0.10 0.56 1.85 0.00 -0.55 0.00 0.00 41.25 43.01 3ife s ASN 20 CO 0.43 -0.32 2.19 1.05 -2.79 0.00 0.00 177.10 177.66 3ife h GLU 21 N 8.28 0.00 0.00 0.43 4.11 -1.95 -2.15 114.58 123.30 3ife h GLU 21 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3ife h GLU 21 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3ife h GLU 21 CO 0.28 0.03 0.00 -0.44 0.07 0.00 0.00 179.01 178.95 3ife h ASP 22 N 0.00 0.00 -3.41 3.06 3.32 -1.97 -3.42 116.42 114.00 3ife h ASP 22 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3ife h ASP 22 Cb 0.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3ife h ASP 22 CO 0.00 0.00 -0.08 -0.55 -1.72 0.00 0.00 179.24 176.90 3ife s SER 23 N -5.48 6.74 -0.06 6.45 0.15 -0.81 -5.00 113.70 115.69 3ife s SER 23 Ca 0.01 1.03 0.09 0.00 0.70 0.00 0.00 55.95 57.78 3ife s SER 23 Cb 0.09 -2.27 0.14 0.00 -1.71 0.00 0.00 66.02 62.27 3ife s SER 23 CO 0.52 -0.00 1.07 1.41 1.20 0.00 0.00 173.24 177.44 3ife n HIS 24 N 0.30 0.01 -1.99 3.44 8.25 -1.26 -4.88 115.22 119.08 3ife n HIS 24 Ca -0.02 -0.73 -0.29 0.00 -0.26 0.00 0.00 57.72 56.42 3ife n HIS 24 Cb 0.52 -0.10 0.05 0.00 1.12 0.00 0.00 29.99 31.58 3ife n HIS 24 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ife s THR 25 N -1.87 3.36 -0.19 1.59 -4.23 -1.26 -5.01 115.64 108.02 3ife s THR 25 Ca 0.15 0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.98 3ife s THR 25 Cb 0.13 -3.42 0.05 0.00 1.34 0.00 0.00 72.50 70.60 3ife s THR 25 CO 0.01 -0.53 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.84 3ife s VAL 26 N -3.31 1.12 0.78 2.29 1.01 -1.26 -2.69 120.40 118.34 3ife s VAL 26 Ca 0.58 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3ife s VAL 26 Cb -0.11 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.93 3ife s VAL 26 CO 0.50 -0.02 1.09 -2.84 0.00 0.00 0.00 175.10 173.83 3ife s PRO 27 N 1.60 2.23 0.48 2.72 0.02 -1.18 -4.37 135.00 136.50 3ife s PRO 27 Ca -0.02 1.14 0.26 0.00 0.02 0.00 0.00 61.00 62.40 3ife s PRO 27 Cb -0.17 -1.90 1.18 0.00 0.02 0.00 0.00 34.50 33.64 3ife s PRO 27 CO -0.07 -1.66 1.95 1.79 -0.33 0.00 0.00 177.00 178.68 3ife h THR 28 N -1.14 0.57 -3.97 0.99 1.35 -1.83 -3.45 112.91 105.44 3ife h THR 28 Ca -0.44 -0.84 -0.35 0.00 -0.55 0.00 0.00 66.41 64.23 3ife h THR 28 Cb 1.23 1.56 -0.24 0.00 -1.73 0.00 0.00 68.15 68.97 3ife h THR 28 CO 0.52 0.18 -0.76 0.42 -0.25 0.00 0.00 175.52 175.62 3ife s THR 29 N -3.92 0.74 0.43 6.82 -4.23 -1.26 -4.70 115.64 109.52 3ife s THR 29 Ca -0.01 -0.91 0.19 0.00 -1.18 0.00 0.00 61.69 59.78 3ife s THR 29 Cb 0.12 -0.72 0.21 0.00 1.34 0.00 0.00 72.50 73.44 3ife s THR 29 CO 0.61 -0.15 2.00 1.55 -0.54 0.00 0.00 174.62 178.09 3ife h PRO 30 N 4.91 0.00 -0.61 3.99 0.13 -1.92 -2.47 132.00 136.02 3ife h PRO 30 Ca -0.35 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.88 3ife h PRO 30 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 3ife h PRO 30 CO 0.43 0.18 0.41 0.78 -0.23 0.00 0.00 178.00 179.58 3ife h GLY 31 N 0.72 0.56 1.54 1.56 0.00 -1.92 -0.51 103.07 105.02 3ife h GLY 31 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 3ife h GLY 31 CO 0.02 0.09 -0.31 1.46 0.00 0.00 0.00 176.54 177.80 3ife h GLN 32 N 0.38 0.52 -0.37 4.80 4.20 -1.64 -0.85 115.11 122.16 3ife h GLN 32 Ca 0.29 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3ife h GLN 32 Cb 0.61 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3ife h GLN 32 CO -0.08 0.78 -0.12 0.82 -0.67 0.00 0.00 178.83 179.56 3ife h ILE 33 N 0.45 1.28 -0.51 2.54 1.08 -1.30 -0.94 117.51 120.12 3ife h ILE 33 Ca 0.05 -1.22 0.05 0.00 -0.39 0.00 0.00 64.86 63.35 3ife h ILE 33 Cb 0.77 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.78 3ife h ILE 33 CO 0.06 0.40 0.26 -0.08 -0.69 0.00 0.00 178.15 178.10 3ife h GLU 34 N 0.52 0.48 -0.27 2.37 4.81 -0.86 -0.87 114.58 120.77 3ife h GLU 34 Ca 0.09 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3ife h GLU 34 Cb 0.65 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3ife h GLU 34 CO 0.04 0.32 -0.13 0.35 -0.73 0.00 0.00 179.01 178.86 3ife h PHE 35 N 0.50 0.65 -0.42 0.92 3.57 -1.09 -2.47 116.94 118.59 3ife h PHE 35 Ca 0.23 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3ife h PHE 35 Cb 0.14 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3ife h PHE 35 CO -0.10 0.81 0.24 0.78 -2.23 0.00 0.00 178.31 177.81 3ife h GLY 36 N 0.30 0.58 1.48 2.40 0.00 -0.90 -0.81 103.07 106.11 3ife h GLY 36 Ca 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 3ife h GLY 36 CO 0.04 0.15 0.03 0.50 0.00 0.00 0.00 176.54 177.26 3ife h LYS 37 N 0.48 0.65 -0.41 4.80 1.57 -1.16 -0.54 116.57 121.96 3ife h LYS 37 Ca 0.17 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3ife h LYS 37 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3ife h LYS 37 CO -0.09 0.65 0.10 1.25 -0.57 0.00 0.00 179.45 180.80 3ife h LEU 38 N 0.62 0.62 -0.84 2.94 5.85 -0.95 -2.82 115.31 120.73 3ife h LEU 38 Ca 0.13 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 3ife h LEU 38 Cb 0.35 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3ife h LEU 38 CO 0.01 0.69 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.64 3ife h LEU 39 N 0.53 0.76 -0.47 2.25 3.38 -0.67 -1.24 115.31 119.85 3ife h LEU 39 Ca 0.13 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3ife h LEU 39 Cb 0.31 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3ife h LEU 39 CO 0.00 0.88 0.19 0.58 0.09 0.00 0.00 178.44 180.18 3ife h VAL 40 N 0.71 0.89 -0.34 1.22 2.07 -0.98 0.29 116.25 120.10 3ife h VAL 40 Ca 0.12 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 3ife h VAL 40 Cb 0.55 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3ife h VAL 40 CO 0.03 0.07 -0.30 -0.33 0.02 0.00 0.00 177.57 177.07 3ife h GLU 41 N 0.38 0.72 -0.65 1.57 4.39 -1.22 -1.90 114.58 117.88 3ife h GLU 41 Ca 0.22 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 3ife h GLU 41 Cb 0.19 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3ife h GLU 41 CO -0.20 0.93 0.08 0.93 -1.16 0.00 0.00 179.01 179.60 3ife h GLU 42 N 0.62 1.10 -0.74 2.33 5.08 -0.75 -0.58 114.58 121.63 3ife h GLU 42 Ca 0.07 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 3ife h GLU 42 Cb 0.81 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3ife h GLU 42 CO 0.07 1.02 0.28 -0.07 -1.00 0.00 0.00 179.01 179.31 3ife h LEU 43 N 1.02 1.04 -0.67 1.33 3.38 -0.24 -1.51 115.31 119.65 3ife h LEU 43 Ca 0.20 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3ife h LEU 43 Cb 0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ife h LEU 43 CO 0.02 0.94 0.02 0.11 0.09 0.00 0.00 178.44 179.62 3ife h LYS 44 N 1.08 1.05 -0.78 1.13 1.57 -1.09 -2.22 116.57 117.30 3ife h LYS 44 Ca 0.25 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3ife h LYS 44 Cb 0.24 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3ife h LYS 44 CO -0.02 1.01 0.30 0.93 -0.57 0.00 0.00 179.45 181.11 3ife h GLU 45 N 0.96 1.17 -0.68 3.15 5.08 -0.75 -2.24 114.58 121.27 3ife h GLU 45 Ca 0.18 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3ife h GLU 45 Cb 0.53 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3ife h GLU 45 CO 0.03 0.96 0.22 0.28 -1.00 0.00 0.00 179.01 179.49 3ife h VAL 46 N 1.14 1.25 0.00 3.13 2.07 -1.12 -3.47 116.25 119.25 3ife h VAL 46 Ca 0.26 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3ife h VAL 46 Cb 0.23 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3ife h VAL 46 CO -0.02 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.51 3ife n GLY 47 N -0.83 1.31 3.73 2.17 0.00 -0.84 -4.97 105.19 105.75 3ife n GLY 47 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3ife n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ife s LEU 48 N 0.00 3.02 0.48 0.99 1.02 -0.90 -5.00 118.68 118.28 3ife s LEU 48 Ca 0.00 2.03 0.06 0.00 0.02 0.00 0.00 54.13 56.24 3ife s LEU 48 Cb 0.00 -4.55 -0.01 0.00 0.02 0.00 0.00 46.19 41.66 3ife s LEU 48 CO 0.00 -2.44 0.28 0.42 0.02 0.00 0.00 176.35 174.64 3ife s THR 49 N -2.67 1.96 -1.50 5.49 -4.23 -0.04 -4.62 115.64 110.02 3ife s THR 49 Ca 0.65 -1.59 -0.08 0.00 -1.18 0.00 0.00 61.69 59.49 3ife s THR 49 Cb -0.21 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.14 3ife s THR 49 CO 0.55 0.00 0.64 -0.62 -0.54 0.00 0.00 174.62 174.65 3ife n GLU 50 N -1.50 -3.77 -2.80 3.99 1.02 -1.26 -0.78 120.64 115.53 3ife n GLU 50 Ca -0.03 0.45 -0.42 0.00 -0.02 0.00 0.00 57.16 57.13 3ife n GLU 50 Cb 0.64 -4.91 -0.04 0.00 -0.02 0.00 0.00 31.44 27.12 3ife n GLU 50 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ife s VAL 51 N -3.64 4.67 0.12 2.62 1.01 -1.26 -4.11 120.40 119.80 3ife s VAL 51 Ca 0.32 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.81 3ife s VAL 51 Cb -0.17 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 3ife s VAL 51 CO 0.88 -0.35 -0.13 0.42 0.00 0.00 0.00 175.10 175.93 3ife s THR 52 N 3.26 1.23 -0.13 3.92 -4.23 -0.11 -5.01 115.64 114.56 3ife s THR 52 Ca 0.38 -1.71 -0.04 0.00 -1.18 0.00 0.00 61.69 59.14 3ife s THR 52 Cb -0.13 -1.50 0.05 0.00 1.34 0.00 0.00 72.50 72.26 3ife s THR 52 CO 0.13 -0.46 0.09 -0.32 -0.54 0.00 0.00 174.62 173.52 3ife s MET 53 N -2.74 0.03 0.99 3.99 1.75 -1.26 -1.12 119.30 120.94 3ife s MET 53 Ca 0.08 0.08 -0.16 0.00 -1.25 0.00 0.00 55.69 54.44 3ife s MET 53 Cb -0.04 -1.40 0.20 0.00 2.84 0.00 0.00 34.83 36.43 3ife s MET 53 CO 0.02 -0.57 1.26 0.16 -0.65 0.00 0.00 175.02 175.25 3ife s ASP 54 N 2.16 2.86 0.63 1.11 1.47 -0.66 -4.88 116.67 119.36 3ife s ASP 54 Ca 0.03 0.41 0.41 0.00 1.18 0.00 0.00 52.55 54.58 3ife s ASP 54 Cb -0.15 -0.55 2.10 0.00 -0.34 0.00 0.00 42.92 43.98 3ife s ASP 54 CO -0.07 -2.90 2.25 -2.24 0.68 0.00 0.00 175.17 172.89 3ife h ASP 55 N -1.75 0.00 -0.30 2.11 2.03 -1.96 -2.00 116.42 114.55 3ife h ASP 55 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 3ife h ASP 55 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3ife h ASP 55 CO 0.41 0.00 0.00 0.59 -1.03 0.00 0.00 179.24 179.21 3ife n ASN 56 N -3.10 2.52 0.00 4.15 5.03 -1.26 -4.78 115.26 117.81 3ife n ASN 56 Ca -0.02 -1.87 0.00 0.00 0.87 0.00 0.00 54.58 53.56 3ife n ASN 56 Cb 0.14 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 3ife n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ife n GLY 57 N 1.30 0.60 3.66 7.41 0.00 -0.75 -3.09 105.19 114.32 3ife n GLY 57 Ca 0.17 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3ife n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ife s TYR 58 N -2.00 3.40 -0.18 1.61 2.02 -1.26 -4.49 117.35 116.44 3ife s TYR 58 Ca 0.00 1.18 -0.09 0.00 -0.37 0.00 0.00 57.07 57.79 3ife s TYR 58 Cb 0.00 -2.99 -0.05 0.00 -0.40 0.00 0.00 41.96 38.53 3ife s TYR 58 CO 0.00 -0.26 0.12 0.08 -1.57 0.00 0.00 175.55 173.92 3ife s VAL 59 N 2.22 5.32 0.06 0.71 1.01 -0.54 -1.65 120.40 127.53 3ife s VAL 59 Ca 0.36 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.51 3ife s VAL 59 Cb -0.16 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3ife s VAL 59 CO 0.11 0.47 -0.07 -0.04 0.00 0.00 0.00 175.10 175.58 3ife s MET 60 N 0.12 0.63 0.19 2.72 -1.94 -0.28 -1.14 119.30 119.61 3ife s MET 60 Ca 0.08 -0.98 -0.21 0.00 -1.71 0.00 0.00 55.69 52.87 3ife s MET 60 Cb -0.11 -0.23 0.05 0.00 2.01 0.00 0.00 34.83 36.55 3ife s MET 60 CO -0.01 0.02 0.61 0.00 -0.01 0.00 0.00 175.02 175.63 3ife s ALA 61 N -2.28 -1.37 -0.06 3.03 0.00 -0.72 -0.94 121.76 119.42 3ife s ALA 61 Ca -0.02 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.15 3ife s ALA 61 Cb -0.04 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 3ife s ALA 61 CO -0.02 -0.84 -0.24 0.99 0.00 0.00 0.00 175.76 175.66 3ife s THR 62 N -3.82 1.94 -0.36 0.00 2.01 0.04 -1.02 115.64 114.43 3ife s THR 62 Ca 0.05 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 3ife s THR 62 Cb -0.02 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.86 3ife s THR 62 CO -0.06 0.54 0.20 -0.22 -0.69 0.00 0.00 174.62 174.39 3ife s LEU 63 N -0.07 4.61 0.67 4.42 2.96 0.38 -0.86 118.68 130.79 3ife s LEU 63 Ca -0.05 -0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 52.77 3ife s LEU 63 Cb -0.14 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.54 3ife s LEU 63 CO 0.04 -0.35 1.27 -2.84 -1.32 0.00 0.00 176.35 173.15 3ife s PRO 64 N 1.56 2.42 0.59 0.98 0.02 -1.26 -1.53 135.00 137.78 3ife s PRO 64 Ca 0.02 1.98 -0.19 0.00 0.02 0.00 0.00 61.00 62.83 3ife s PRO 64 Cb -0.19 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 3ife s PRO 64 CO 0.07 -1.68 1.08 0.00 -0.33 0.00 0.00 177.00 176.14 3ife n ALA 65 N -2.14 0.54 -3.24 -1.55 0.00 -1.26 -4.68 120.51 108.18 3ife n ALA 65 Ca 0.15 0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.38 3ife n ALA 65 Cb 0.49 -2.18 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 3ife n ALA 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ife n ASN 66 N -0.92 0.52 -3.58 0.00 5.15 0.80 -4.91 115.26 112.31 3ife n ASN 66 Ca 0.13 -2.75 -0.06 0.00 -0.60 0.00 0.00 54.58 51.31 3ife n ASN 66 Cb 0.47 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 39.05 3ife n ASN 66 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3ife s THR 67 N -1.22 0.00 -1.33 -0.44 -1.32 -1.24 -1.74 115.64 108.35 3ife s THR 67 Ca 0.35 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.07 3ife s THR 67 Cb 0.16 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.13 3ife s THR 67 CO -0.11 0.00 1.24 0.47 -2.21 0.00 0.00 174.62 174.01 3ife n ASP 68 N 0.09 1.02 -4.89 8.08 8.00 -1.26 -4.96 116.55 122.63 3ife n ASP 68 Ca -0.03 -0.82 -0.29 0.00 0.71 0.00 0.00 54.79 54.36 3ife n ASP 68 Cb 0.59 0.49 0.03 0.00 -0.02 0.00 0.00 41.12 42.20 3ife n ASP 68 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3ife s LYS 69 N -2.81 3.16 -0.45 -1.24 1.02 -1.26 -5.03 119.74 113.13 3ife s LYS 69 Ca 0.14 0.35 -0.21 0.00 0.02 0.00 0.00 55.97 56.27 3ife s LYS 69 Cb 0.18 -2.17 0.03 0.00 -0.52 0.00 0.00 37.83 35.35 3ife s LYS 69 CO 0.69 -0.69 0.64 0.34 -0.92 0.00 0.00 175.35 175.41 3ife s ASP 70 N -4.26 6.31 -0.01 2.83 2.15 -1.26 -5.01 116.67 117.41 3ife s ASP 70 Ca 0.54 -0.41 0.07 0.00 0.43 0.00 0.00 52.55 53.19 3ife s ASP 70 Cb -0.11 -2.32 -0.02 0.00 -0.30 0.00 0.00 42.92 40.18 3ife s ASP 70 CO 0.49 -0.80 -0.23 -0.69 -0.17 0.00 0.00 175.17 173.77 3ife s VAL 71 N 2.82 1.82 0.57 1.11 1.01 -1.26 -4.88 120.40 121.58 3ife s VAL 71 Ca 0.22 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 3ife s VAL 71 Cb -0.15 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3ife s VAL 71 CO 0.18 0.48 1.29 -2.16 0.00 0.00 0.00 175.10 174.90 3ife s PRO 72 N -0.62 3.06 -0.04 2.72 0.04 -1.26 -4.69 135.00 134.21 3ife s PRO 72 Ca 0.09 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 3ife s PRO 72 Cb -0.09 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 3ife s PRO 72 CO -0.01 -1.20 1.17 0.08 0.04 0.00 0.00 177.00 177.09 3ife s VAL 73 N -1.41 4.31 0.12 -0.36 1.01 -1.26 -4.62 120.40 118.18 3ife s VAL 73 Ca 0.74 1.63 0.08 0.00 0.00 0.00 0.00 61.98 64.43 3ife s VAL 73 Cb -0.36 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3ife s VAL 73 CO 0.41 0.02 -0.12 0.27 0.00 0.00 0.00 175.10 175.69 3ife s ILE 74 N 1.99 3.23 0.24 2.22 -4.36 -1.09 -0.84 121.20 122.59 3ife s ILE 74 Ca 0.55 -1.37 0.12 0.00 -0.26 0.00 0.00 60.65 59.69 3ife s ILE 74 Cb -0.24 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 40.90 3ife s ILE 74 CO 0.23 0.08 -0.22 -0.83 0.24 0.00 0.00 174.94 174.44 3ife s GLY 75 N -2.27 1.81 -0.04 6.27 0.00 -0.34 -0.88 107.32 111.88 3ife s GLY 75 Ca 0.21 -1.77 0.02 0.00 0.00 0.00 0.00 44.72 43.18 3ife s GLY 75 CO 0.13 -1.84 -0.10 -1.36 0.00 0.00 0.00 173.10 169.94 3ife s PHE 76 N -2.13 1.12 0.10 1.90 0.08 -0.46 -0.63 117.98 117.96 3ife s PHE 76 Ca 0.26 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 57.05 3ife s PHE 76 Cb -0.06 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.53 3ife s PHE 76 CO 0.13 -0.17 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.40 3ife s LEU 77 N 0.42 2.31 0.05 -0.37 1.43 -0.31 -1.99 118.68 120.23 3ife s LEU 77 Ca -0.08 -0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 52.12 3ife s LEU 77 Cb -0.12 -0.71 0.05 0.00 0.03 0.00 0.00 46.19 45.44 3ife s LEU 77 CO 0.01 -0.02 0.50 0.00 0.23 0.00 0.00 176.35 177.07 3ife s ALA 78 N -1.38 -1.25 0.05 4.21 0.00 -0.95 -0.98 121.76 121.45 3ife s ALA 78 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3ife s ALA 78 Cb -0.09 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3ife s ALA 78 CO 0.04 -0.51 0.18 -3.38 0.00 0.00 0.00 175.76 172.09 3ife s HIS 79 N -2.54 3.47 -0.02 0.00 -3.43 -1.26 -1.69 115.29 109.81 3ife s HIS 79 Ca -0.05 0.24 0.11 0.00 -0.80 0.00 0.00 55.06 54.56 3ife s HIS 79 Cb -0.01 -1.75 -0.08 0.00 -1.43 0.00 0.00 32.58 29.31 3ife s HIS 79 CO -0.03 0.59 1.32 -0.07 -2.00 0.00 0.00 174.74 174.55 3ife h LEU 80 N 3.24 0.00-10.18 5.38 3.38 -1.11 -3.40 115.31 112.62 3ife h LEU 80 Ca -0.46 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.02 3ife h LEU 80 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ife h LEU 80 CO 0.73 0.76 -0.20 1.51 0.09 0.00 0.00 178.44 181.33 3ife s ASP 81 N -6.54 6.34 0.29 -0.43 -4.77 -1.26 -4.79 116.67 105.51 3ife s ASP 81 Ca 0.02 0.50 0.09 0.00 -3.30 0.00 0.00 52.55 49.86 3ife s ASP 81 Cb 0.09 -2.05 -0.04 0.00 -1.09 0.00 0.00 42.92 39.82 3ife s ASP 81 CO 0.79 -0.24 0.09 0.42 0.70 0.00 0.00 175.17 176.93 3ife s THR 82 N -2.20 3.51 0.57 2.11 -4.23 -1.04 -4.27 115.64 110.08 3ife s THR 82 Ca 0.41 -1.73 -0.20 0.00 -1.18 0.00 0.00 61.69 58.98 3ife s THR 82 Cb -0.10 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 3ife s THR 82 CO 0.34 -0.30 1.14 0.00 -0.54 0.00 0.00 174.62 175.25 3ife n ALA 83 N -1.05 0.76 0.63 3.99 0.00 -1.26 -3.01 120.51 120.58 3ife n ALA 83 Ca -0.05 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.59 3ife n ALA 83 Cb 0.59 -2.21 0.42 0.00 0.00 0.00 0.00 19.45 18.26 3ife n ALA 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ife n THR 84 N -1.36 0.58 0.08 0.00 -2.24 -1.26 -3.95 114.28 106.12 3ife n THR 84 Ca 0.12 -0.23 0.03 0.00 -2.27 0.00 0.00 64.05 61.70 3ife n THR 84 Cb 0.45 -0.62 0.40 0.00 -2.10 0.00 0.00 70.33 68.46 3ife n THR 84 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ife h ASP 85 N 0.00 0.32 -5.05 3.42 3.45 -1.92 -3.45 116.42 113.19 3ife h ASP 85 Ca 0.00 -0.05 -0.09 0.00 0.43 0.00 0.00 57.03 57.33 3ife h ASP 85 Cb 0.70 -0.08 -0.16 0.00 -0.56 0.00 0.00 39.33 39.22 3ife h ASP 85 CO 0.00 0.38 -0.21 0.12 -1.57 0.00 0.00 179.24 177.97 3ife s PHE 86 N -4.98 -0.14 0.33 4.55 5.36 -1.25 -5.02 117.98 116.82 3ife s PHE 86 Ca -0.07 0.01 -0.29 0.00 -0.96 0.00 0.00 56.93 55.62 3ife s PHE 86 Cb 0.16 0.13 -0.11 0.00 -0.34 0.00 0.00 43.02 42.86 3ife s PHE 86 CO 0.73 -0.53 1.51 -0.08 -1.46 0.00 0.00 175.22 175.40 3ife s THR 87 N -2.64 2.16 -0.17 0.12 -1.32 -1.26 -4.71 115.64 107.82 3ife s THR 87 Ca -0.04 0.15 0.17 0.00 -1.21 0.00 0.00 61.69 60.75 3ife s THR 87 Cb -0.01 -3.09 0.42 0.00 -1.51 0.00 0.00 72.50 68.32 3ife s THR 87 CO -0.04 0.03 1.30 0.61 -2.21 0.00 0.00 174.62 174.32 3ife n GLY 88 N 1.35 4.50 3.78 6.08 0.00 -1.26 -1.44 105.19 118.20 3ife n GLY 88 Ca 0.04 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 3ife n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ife s LYS 89 N -2.90 4.02 -1.34 1.61 2.20 -1.26 -4.17 119.74 117.89 3ife s LYS 89 Ca 0.38 0.04 -0.07 0.00 -0.36 0.00 0.00 55.97 55.95 3ife s LYS 89 Cb 0.32 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 3ife s LYS 89 CO 0.05 0.43 1.10 -1.71 -0.36 0.00 0.00 175.35 174.87 3ife n ASN 90 N 2.96 -5.00 -4.75 1.43 5.15 -1.26 -4.92 115.26 108.87 3ife n ASN 90 Ca -0.15 -0.60 -0.41 0.00 -0.60 0.00 0.00 54.58 52.82 3ife n ASN 90 Cb 0.53 -4.89 -0.02 0.00 -0.53 0.00 0.00 39.78 34.87 3ife n ASN 90 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ife s VAL 91 N -3.34 2.41 -0.68 3.44 1.01 -1.26 -4.97 120.40 117.01 3ife s VAL 91 Ca 0.44 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.80 3ife s VAL 91 Cb -0.20 -3.23 0.17 0.00 0.00 0.00 0.00 36.38 33.12 3ife s VAL 91 CO 0.74 0.06 0.47 -0.54 0.00 0.00 0.00 175.10 175.84 3ife s LYS 92 N -0.72 2.49 0.41 2.72 -0.14 -1.26 -4.62 119.74 118.62 3ife s LYS 92 Ca 0.59 -3.02 -0.26 0.00 -1.36 0.00 0.00 55.97 51.92 3ife s LYS 92 Cb -0.44 -3.54 -0.09 0.00 -1.68 0.00 0.00 37.83 32.09 3ife s LYS 92 CO 0.48 -1.22 1.31 -1.25 -0.76 0.00 0.00 175.35 173.91 3ife s PRO 93 N -0.92 3.94 -0.15 -1.68 0.04 -1.26 -3.35 135.00 131.62 3ife s PRO 93 Ca 0.22 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.45 3ife s PRO 93 Cb -0.13 -2.74 0.02 0.00 0.04 0.00 0.00 34.50 31.68 3ife s PRO 93 CO -0.09 -0.52 -0.19 -0.65 0.04 0.00 0.00 177.00 175.58 3ife s GLN 94 N -2.27 2.76 -0.26 4.56 -1.52 -0.14 -4.97 119.66 117.82 3ife s GLN 94 Ca 0.57 -0.75 -0.16 0.00 -1.95 0.00 0.00 55.36 53.08 3ife s GLN 94 Cb -0.38 -2.33 -0.03 0.00 -0.22 0.00 0.00 33.01 30.05 3ife s GLN 94 CO 0.49 -0.11 0.41 0.42 -0.25 0.00 0.00 175.29 176.26 3ife s ILE 95 N 1.08 5.15 -0.41 1.08 1.01 -1.26 -1.38 121.20 126.46 3ife s ILE 95 Ca -0.02 0.67 -0.01 0.00 0.00 0.00 0.00 60.65 61.29 3ife s ILE 95 Cb -0.14 -3.74 0.11 0.00 0.01 0.00 0.00 42.46 38.70 3ife s ILE 95 CO -0.06 0.14 0.19 -1.00 0.00 0.00 0.00 174.94 174.21 3ife s HIS 96 N 2.09 3.61 0.36 3.97 3.76 0.48 -5.01 115.29 124.55 3ife s HIS 96 Ca 0.17 -2.59 -0.16 0.00 -0.15 0.00 0.00 55.06 52.32 3ife s HIS 96 Cb -0.16 -3.15 -0.09 0.00 1.11 0.00 0.00 32.58 30.29 3ife s HIS 96 CO 0.10 -0.95 0.79 -1.21 -0.85 0.00 0.00 174.74 172.61 3ife s GLU 97 N 0.97 4.04 -1.36 1.40 2.02 -1.26 -1.20 118.70 123.30 3ife s GLU 97 Ca 0.10 0.77 -0.01 0.00 0.02 0.00 0.00 54.97 55.84 3ife s GLU 97 Cb -0.22 -2.37 -0.00 0.00 0.10 0.00 0.00 34.13 31.65 3ife s GLU 97 CO -0.05 0.09 0.52 0.09 0.02 0.00 0.00 175.26 175.93 3ife n ASN 98 N -0.50 -0.77 -4.65 -0.19 3.02 -1.16 -4.82 115.26 106.20 3ife n ASN 98 Ca 0.04 -0.95 -0.47 0.00 -0.03 0.00 0.00 54.58 53.18 3ife n ASN 98 Cb 0.53 -3.37 -0.04 0.00 -0.61 0.00 0.00 39.78 36.30 3ife n ASN 98 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3ife n PHE 99 N -4.35 2.02 1.44 3.10 7.35 -0.31 -4.61 117.46 122.10 3ife n PHE 99 Ca -0.30 0.43 0.14 0.00 -0.76 0.00 0.00 57.45 56.96 3ife n PHE 99 Cb 0.68 -2.45 0.68 0.00 0.35 0.00 0.00 39.48 38.74 3ife n PHE 99 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3ife n ASP 100 N 2.65 0.26 0.00 -2.13 5.68 -1.26 0.18 116.55 121.93 3ife n ASP 100 Ca 0.15 -0.42 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 3ife n ASP 100 Cb 0.28 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3ife n ASP 100 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ife n GLY 101 N 1.27 0.79 4.01 6.12 0.00 -1.26 -4.85 105.19 111.26 3ife n GLY 101 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 3ife n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ife s ASN 102 N -2.62 5.05 0.50 1.61 0.01 -1.26 -3.95 114.94 114.27 3ife s ASN 102 Ca 0.00 -0.89 -0.23 0.00 -0.71 0.00 0.00 52.86 51.03 3ife s ASN 102 Cb 0.00 0.25 -0.07 0.00 0.41 0.00 0.00 41.25 41.84 3ife s ASN 102 CO 0.00 -1.25 1.32 0.00 -1.51 0.00 0.00 177.10 175.66 3ife n ALA 103 N -2.12 1.50 -3.56 0.60 0.00 -1.26 -4.86 120.51 110.80 3ife n ALA 103 Ca 0.12 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.40 3ife n ALA 103 Cb 0.62 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 17.59 3ife n ALA 103 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ife s ILE 104 N -1.26 2.67 -0.55 0.00 1.01 -0.11 -4.97 121.20 117.99 3ife s ILE 104 Ca 0.67 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 60.30 3ife s ILE 104 Cb -0.45 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 39.92 3ife s ILE 104 CO 0.53 0.51 1.06 -0.89 0.00 0.00 0.00 174.94 176.15 3ife s THR 105 N 0.98 4.23 0.15 2.92 2.01 -1.26 -0.18 115.64 124.48 3ife s THR 105 Ca -0.02 0.67 -0.04 0.00 0.31 0.00 0.00 61.69 62.61 3ife s THR 105 Cb -0.15 -4.61 -0.14 0.00 0.01 0.00 0.00 72.50 67.61 3ife s THR 105 CO -0.03 -1.17 1.36 -0.07 -0.69 0.00 0.00 174.62 174.03 3ife h LEU 106 N 11.35 0.55 -6.78 4.42 3.38 -1.16 -3.43 115.31 123.63 3ife h LEU 106 Ca -0.25 -0.39 -0.29 0.00 0.09 0.00 0.00 57.88 57.04 3ife h LEU 106 Cb 1.07 -0.17 -0.35 0.00 0.09 0.00 0.00 40.66 41.30 3ife h LEU 106 CO 1.13 1.17 -0.60 0.21 0.09 0.00 0.00 178.44 180.43 3ife s ASN 107 N -7.03 1.13 0.12 -0.43 3.84 -0.90 -4.47 114.94 107.19 3ife s ASN 107 Ca -0.06 -0.08 -0.15 0.00 0.21 0.00 0.00 52.86 52.77 3ife s ASN 107 Cb 0.10 0.50 -0.03 0.00 -0.55 0.00 0.00 41.25 41.27 3ife s ASN 107 CO 0.86 -0.31 1.56 -0.08 -2.79 0.00 0.00 177.10 176.33 3ife h GLU 108 N 8.29 0.67 -0.71 0.43 4.57 -1.85 -0.92 114.58 125.06 3ife h GLU 108 Ca -0.17 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 57.74 3ife h GLU 108 Cb 1.15 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.65 3ife h GLU 108 CO 0.26 0.78 0.24 0.93 -1.18 0.00 0.00 179.01 180.04 3ife h GLU 109 N 0.49 1.09 -0.19 1.92 3.07 -1.98 -2.87 114.58 116.11 3ife h GLU 109 Ca 0.11 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3ife h GLU 109 Cb 0.48 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3ife h GLU 109 CO 0.02 0.91 0.00 1.28 -1.40 0.00 0.00 179.01 179.82 3ife n LEU 110 N -4.27 3.04 -3.69 1.33 4.77 -1.22 -4.98 117.00 111.98 3ife n LEU 110 Ca 0.06 -1.16 -0.22 0.00 -0.03 0.00 0.00 56.01 54.66 3ife n LEU 110 Cb 0.21 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3ife n LEU 110 CO 0.41 0.58 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.78 3ife n ASN 111 N 1.29 -1.62 -4.46 -1.43 5.15 -0.46 -4.97 115.26 108.76 3ife n ASN 111 Ca 0.17 -0.84 -0.38 0.00 -0.60 0.00 0.00 54.58 52.93 3ife n ASN 111 Cb 0.58 -4.02 -0.12 0.00 -0.53 0.00 0.00 39.78 35.69 3ife n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ife s ILE 112 N -3.66 4.67 -0.07 -1.44 1.01 -0.54 -5.00 121.20 116.18 3ife s ILE 112 Ca 0.05 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.40 3ife s ILE 112 Cb -0.01 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.12 3ife s ILE 112 CO 0.82 0.11 -0.13 -0.69 0.00 0.00 0.00 174.94 175.05 3ife s VAL 113 N 1.63 1.18 -0.46 2.92 1.01 -1.26 -0.56 120.40 124.86 3ife s VAL 113 Ca 0.05 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 3ife s VAL 113 Cb -0.17 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.16 3ife s VAL 113 CO 0.07 0.37 0.64 -0.22 0.00 0.00 0.00 175.10 175.95 3ife s LEU 114 N 0.71 4.60 0.13 3.92 0.20 0.75 -4.94 118.68 124.05 3ife s LEU 114 Ca -0.14 -0.48 0.05 0.00 0.69 0.00 0.00 54.13 54.26 3ife s LEU 114 Cb -0.16 -2.65 -0.04 0.00 -0.43 0.00 0.00 46.19 42.91 3ife s LEU 114 CO 0.03 -0.81 0.04 0.42 -0.29 0.00 0.00 176.35 175.74 3ife s THR 115 N 2.79 4.11 0.15 3.68 -4.23 -1.26 -0.94 115.64 119.94 3ife s THR 115 Ca 0.21 -1.09 0.30 0.00 -1.18 0.00 0.00 61.69 59.93 3ife s THR 115 Cb -0.15 -3.02 0.33 0.00 1.34 0.00 0.00 72.50 71.00 3ife s THR 115 CO 0.17 0.01 1.95 1.55 -0.54 0.00 0.00 174.62 177.77 3ife h PRO 116 N 3.01 0.00 -0.22 3.99 0.13 -1.89 -0.12 132.00 136.89 3ife h PRO 116 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 3ife h PRO 116 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3ife h PRO 116 CO 0.61 0.08 -0.13 0.93 -0.23 0.00 0.00 178.00 179.26 3ife h GLU 117 N 0.00 0.48 0.01 0.86 3.07 -1.96 -2.51 114.58 114.54 3ife h GLU 117 Ca -0.00 -0.22 -0.20 0.00 -0.50 0.00 0.00 59.36 58.44 3ife h GLU 117 Cb 0.56 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3ife h GLU 117 CO 0.01 0.77 -0.89 0.37 -1.40 0.00 0.00 179.01 177.88 3ife h GLN 118 N 0.18 0.17 -2.93 2.33 4.15 -1.93 -3.39 115.11 113.69 3ife h GLN 118 Ca 0.05 -0.19 -0.61 0.00 0.77 0.00 0.00 58.65 58.66 3ife h GLN 118 Cb 0.64 0.06 -0.40 0.00 0.21 0.00 0.00 27.48 27.99 3ife h GLN 118 CO 0.04 0.95 -0.72 -0.06 -1.93 0.00 0.00 178.83 177.10 3ife s PHE 119 N -3.16 2.41 0.28 3.99 0.08 -0.08 -4.99 117.98 116.52 3ife s PHE 119 Ca -0.02 -2.76 0.28 0.00 0.12 0.00 0.00 56.93 54.55 3ife s PHE 119 Cb 0.10 -2.04 1.54 0.00 -0.57 0.00 0.00 43.02 42.06 3ife s PHE 119 CO 0.83 -0.71 1.85 -1.35 -0.10 0.00 0.00 175.22 175.73 3ife h PRO 120 N 6.07 0.00 0.00 0.24 0.11 -1.66 -0.39 132.00 136.37 3ife h PRO 120 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3ife h PRO 120 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3ife h PRO 120 CO 0.55 0.00 -0.10 0.39 -0.21 0.00 0.00 178.00 178.64 3ife n GLU 121 N -2.59 0.26 -0.17 1.05 -0.58 -1.26 -4.19 120.64 113.16 3ife n GLU 121 Ca -0.02 0.19 -0.02 0.00 -0.42 0.00 0.00 57.16 56.90 3ife n GLU 121 Cb 0.18 -1.78 0.08 0.00 -0.57 0.00 0.00 31.44 29.35 3ife n GLU 121 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3ife h LEU 122 N 0.00 -0.05 -2.50 -4.62 5.85 -1.39 -2.26 115.31 110.35 3ife h LEU 122 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ife h LEU 122 Cb 0.73 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3ife h LEU 122 CO 0.00 -0.00 0.02 -0.65 -0.34 0.00 0.00 178.44 177.47 3ife h PRO 123 N 0.21 0.00 0.00 5.25 0.11 -1.73 -1.70 132.00 134.14 3ife h PRO 123 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3ife h PRO 123 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3ife h PRO 123 CO -0.37 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.29 3ife n SER 124 N -3.76 0.50 -0.83 -2.05 3.41 -0.85 -2.21 113.62 107.83 3ife n SER 124 Ca -0.03 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 3ife n SER 124 Cb 0.11 -0.75 0.22 0.00 -0.26 0.00 0.00 64.21 63.52 3ife n SER 124 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3ife n TYR 125 N -2.09 0.57 -1.65 7.33 4.01 -0.64 -4.96 117.16 119.74 3ife n TYR 125 Ca 0.01 -0.29 -0.46 0.00 -0.16 0.00 0.00 57.90 57.00 3ife n TYR 125 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.15 3ife n TYR 125 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3ife n LYS 126 N 0.81 1.92 0.00 -0.72 4.81 -0.94 -1.38 118.16 122.66 3ife n LYS 126 Ca 0.15 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 3ife n LYS 126 Cb 0.39 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.05 3ife n LYS 126 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ife n GLY 127 N 2.76 3.06 3.88 3.14 0.00 0.13 -4.94 105.19 113.21 3ife n GLY 127 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3ife n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ife s HIS 128 N -2.22 3.38 -0.31 1.61 3.76 -0.48 -4.32 115.29 116.71 3ife s HIS 128 Ca 0.00 1.08 -0.17 0.00 -0.15 0.00 0.00 55.06 55.83 3ife s HIS 128 Cb 0.00 -2.99 -0.02 0.00 1.11 0.00 0.00 32.58 30.68 3ife s HIS 128 CO 0.00 -1.07 0.45 0.99 -0.85 0.00 0.00 174.74 174.26 3ife s THR 129 N -3.31 5.09 0.12 1.30 2.01 -1.26 -1.16 115.64 118.42 3ife s THR 129 Ca 0.57 0.48 0.10 0.00 0.31 0.00 0.00 61.69 63.15 3ife s THR 129 Cb -0.11 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 3ife s THR 129 CO 0.52 -0.03 -0.24 0.27 -0.69 0.00 0.00 174.62 174.45 3ife s ILE 130 N 2.24 2.46 -0.11 1.82 -4.36 -0.34 -0.65 121.20 122.25 3ife s ILE 130 Ca 0.17 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 3ife s ILE 130 Cb -0.16 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 3ife s ILE 130 CO 0.11 0.13 -0.16 -0.63 0.24 0.00 0.00 174.94 174.63 3ife s ILE 131 N -1.06 2.80 0.49 8.37 1.01 -0.17 -0.38 121.20 132.25 3ife s ILE 131 Ca 0.15 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3ife s ILE 131 Cb -0.10 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 3ife s ILE 131 CO 0.07 0.54 0.05 0.35 0.00 0.00 0.00 174.94 175.95 3ife n THR 132 N 3.41 0.00 -2.54 2.92 -2.24 -0.48 -1.65 114.28 113.69 3ife n THR 132 Ca -0.18 -2.45 -0.12 0.00 -2.27 0.00 0.00 64.05 59.03 3ife n THR 132 Cb 0.53 0.63 0.06 0.00 -2.10 0.00 0.00 70.33 69.44 3ife n THR 132 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ife n THR 133 N -1.17 0.00 -0.76 4.28 -2.24 -1.25 -0.97 114.28 112.17 3ife n THR 133 Ca -0.16 -0.85 0.08 0.00 -2.27 0.00 0.00 64.05 60.85 3ife n THR 133 Cb 0.65 -1.06 0.35 0.00 -2.10 0.00 0.00 70.33 68.17 3ife n THR 133 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ife n ASP 134 N -2.90 4.87 0.00 3.42 5.75 -1.21 -4.59 116.55 121.89 3ife n ASP 134 Ca 0.09 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.19 3ife n ASP 134 Cb 0.31 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 3ife n ASP 134 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ife n GLY 135 N 0.66 1.67 0.34 6.12 0.00 -1.26 -4.09 105.19 108.63 3ife n GLY 135 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 3ife n GLY 135 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ife n THR 136 N -2.00 0.00 -4.06 2.61 -2.24 -1.26 -4.89 114.28 102.43 3ife n THR 136 Ca 0.00 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 3ife n THR 136 Cb 0.00 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 3ife n THR 136 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ife s THR 137 N -2.16 0.00 0.90 4.28 -4.23 -1.26 -4.85 115.64 108.32 3ife s THR 137 Ca 0.14 -1.58 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 3ife s THR 137 Cb 0.14 -2.37 0.19 0.00 1.34 0.00 0.00 72.50 71.81 3ife s THR 137 CO 0.49 0.00 1.23 -1.48 -0.54 0.00 0.00 174.62 174.32 3ife s LEU 138 N -3.10 2.82 -0.25 4.79 0.05 -0.52 -4.16 118.68 118.32 3ife s LEU 138 Ca 0.28 -0.05 -0.06 0.00 0.05 0.00 0.00 54.13 54.35 3ife s LEU 138 Cb 0.01 -2.03 -0.16 0.00 -2.05 0.00 0.00 46.19 41.96 3ife s LEU 138 CO 0.12 -2.54 -0.19 -0.11 -0.55 0.00 0.00 176.35 173.09 3ife n LEU 139 N -3.49 2.53 0.00 1.48 7.94 -1.26 -4.84 117.00 119.36 3ife n LEU 139 Ca 0.16 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 3ife n LEU 139 Cb 0.60 -0.90 0.00 0.00 0.53 0.00 0.00 43.42 43.64 3ife n LEU 139 CO 0.43 0.77 0.00 0.61 -1.11 0.00 0.00 177.39 178.09 3ife n GLY 140 N 1.84 0.83 0.36 -3.96 0.00 -1.26 -4.80 105.19 98.20 3ife n GLY 140 Ca -0.47 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.41 3ife n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ife h ALA 141 N 0.00 1.61 -1.72 4.61 0.00 -1.94 -0.33 119.26 121.49 3ife h ALA 141 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 3ife h ALA 141 Cb 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 17.79 17.44 3ife h ALA 141 CO 0.00 0.24 0.62 0.34 0.00 0.00 0.00 179.25 180.45 3ife s ASP 142 N -6.05 6.29 -0.13 0.00 2.15 -1.26 -0.75 116.67 116.93 3ife s ASP 142 Ca -0.11 -0.49 0.15 0.00 0.43 0.00 0.00 52.55 52.54 3ife s ASP 142 Cb 0.20 -2.45 0.37 0.00 -0.30 0.00 0.00 42.92 40.74 3ife s ASP 142 CO 0.79 -1.34 1.18 -0.67 -0.17 0.00 0.00 175.17 174.96 3ife n ASP 143 N 7.73 1.49 0.26 -0.34 4.64 -1.18 -4.65 116.55 124.50 3ife n ASP 143 Ca 0.01 -3.15 0.15 0.00 -1.38 0.00 0.00 54.79 50.42 3ife n ASP 143 Cb 0.47 -0.43 0.60 0.00 -1.04 0.00 0.00 41.12 40.72 3ife n ASP 143 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3ife h LYS 144 N 0.77 0.00 -0.05 -0.67 1.57 -0.22 -1.60 116.57 116.37 3ife h LYS 144 Ca -0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3ife h LYS 144 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 3ife h LYS 144 CO 0.03 0.07 -0.02 0.00 -0.57 0.00 0.00 179.45 178.95 3ife h ALA 145 N 1.93 0.07 -0.88 3.86 0.00 -1.09 -0.54 119.26 122.62 3ife h ALA 145 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3ife h ALA 145 Cb 0.60 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3ife h ALA 145 CO 0.01 -0.19 0.45 0.78 0.00 0.00 0.00 179.25 180.30 3ife h GLY 146 N -0.28 1.33 0.92 0.00 0.00 -1.65 -0.83 103.07 102.56 3ife h GLY 146 Ca 0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 3ife h GLY 146 CO 0.01 0.60 0.12 -2.00 0.00 0.00 0.00 176.54 175.27 3ife h LEU 147 N 1.24 0.45 -0.67 3.11 6.46 -1.26 -1.73 115.31 122.91 3ife h LEU 147 Ca 0.31 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.93 3ife h LEU 147 Cb 0.07 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.83 3ife h LEU 147 CO -0.04 0.51 0.40 0.74 -0.62 0.00 0.00 178.44 179.43 3ife h THR 148 N 0.37 1.03 -0.84 1.05 2.02 -0.82 -1.76 112.91 113.96 3ife h THR 148 Ca 0.11 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.04 3ife h THR 148 Cb 0.21 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.78 3ife h THR 148 CO -0.01 0.14 0.55 -0.33 0.37 0.00 0.00 175.52 176.24 3ife h GLU 149 N 0.76 1.07 -0.25 6.66 5.08 -0.72 0.31 114.58 127.50 3ife h GLU 149 Ca 0.28 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3ife h GLU 149 Cb 0.10 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3ife h GLU 149 CO -0.14 0.71 0.13 0.82 -1.00 0.00 0.00 179.01 179.52 3ife h ILE 150 N 1.10 1.13 -0.18 3.13 2.04 -0.78 -0.14 117.51 123.80 3ife h ILE 150 Ca 0.32 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3ife h ILE 150 Cb -0.07 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3ife h ILE 150 CO -0.09 0.13 0.08 0.24 0.00 0.00 0.00 178.15 178.52 3ife h MET 151 N 0.28 0.18 -0.70 2.37 2.86 -0.76 -0.38 114.93 118.78 3ife h MET 151 Ca 0.09 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3ife h MET 151 Cb 0.09 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3ife h MET 151 CO -0.01 0.12 0.29 0.28 1.06 0.00 0.00 176.91 178.65 3ife h VAL 152 N 0.18 1.24 -0.54 -2.22 2.07 -0.87 -1.12 116.25 115.01 3ife h VAL 152 Ca 0.07 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 3ife h VAL 152 Cb 0.02 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3ife h VAL 152 CO -0.05 0.30 0.09 0.00 0.02 0.00 0.00 177.57 177.93 3ife h ALA 153 N 1.14 0.72 -0.57 1.67 0.00 -0.75 -0.29 119.26 121.17 3ife h ALA 153 Ca 0.24 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3ife h ALA 153 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ife h ALA 153 CO -0.02 0.46 -0.03 0.52 0.00 0.00 0.00 179.25 180.17 3ife h MET 154 N 0.78 1.03 -0.76 0.00 2.86 -0.88 -0.60 114.93 117.35 3ife h MET 154 Ca 0.16 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 3ife h MET 154 Cb 0.40 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3ife h MET 154 CO 0.01 1.03 0.30 -0.97 1.06 0.00 0.00 176.91 178.34 3ife h ASN 155 N 0.91 1.05 -0.12 1.22 -1.24 -1.06 -1.29 115.58 115.04 3ife h ASN 155 Ca 0.16 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3ife h ASN 155 Cb 0.59 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 3ife h ASN 155 CO 0.04 0.93 0.03 0.22 -1.29 0.00 0.00 177.43 177.36 3ife h TYR 156 N 1.11 0.21 -0.20 0.67 3.20 -0.67 -2.45 116.97 118.84 3ife h TYR 156 Ca 0.25 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3ife h TYR 156 Cb 0.21 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3ife h TYR 156 CO 0.02 0.35 0.13 -0.07 -1.64 0.00 0.00 178.16 176.95 3ife h LEU 157 N 0.00 0.23 -1.76 2.82 3.38 -0.87 -1.28 115.31 117.84 3ife h LEU 157 Ca 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3ife h LEU 157 Cb 0.25 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3ife h LEU 157 CO 0.00 0.18 -0.13 -0.29 0.09 0.00 0.00 178.44 178.29 3ife h ILE 158 N 0.26 1.05 -0.01 1.22 2.10 -1.25 -1.48 117.51 119.40 3ife h ILE 158 Ca 0.07 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.55 3ife h ILE 158 Cb -0.02 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 3ife h ILE 158 CO -0.02 0.13 -0.08 1.41 -1.08 0.00 0.00 178.15 178.52 3ife n HIS 159 N -4.32 0.00 -3.22 2.19 8.25 -0.90 -4.33 115.22 112.89 3ife n HIS 159 Ca -0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.19 3ife n HIS 159 Cb 0.21 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 3ife n HIS 159 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ife n ASN 160 N -0.43 1.71 0.07 0.41 3.02 -0.53 -4.95 115.26 114.56 3ife n ASN 160 Ca 0.17 -3.06 0.06 0.00 -0.03 0.00 0.00 54.58 51.72 3ife n ASN 160 Cb 0.30 -0.64 0.29 0.00 -0.61 0.00 0.00 39.78 39.12 3ife n ASN 160 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3ife n PRO 161 N 0.87 0.07 0.22 3.52 -0.04 -1.24 -1.20 135.00 137.19 3ife n PRO 161 Ca 0.25 0.52 0.15 0.00 -0.04 0.00 0.00 63.50 64.38 3ife n PRO 161 Cb 0.51 -1.70 0.61 0.00 -0.04 0.00 0.00 33.50 32.88 3ife n PRO 161 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3ife h GLN 162 N 0.00 0.00 -5.60 0.54 -0.00 -1.92 -3.40 115.11 104.73 3ife h GLN 162 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 58.01 3ife h GLN 162 Cb 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 27.48 27.40 3ife h GLN 162 CO 0.00 0.00 0.24 0.42 -0.00 0.00 0.00 178.83 179.49 3ife s ILE 163 N -3.53 4.76 0.31 1.86 1.01 -0.34 -5.04 121.20 120.24 3ife s ILE 163 Ca 0.02 0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.84 3ife s ILE 163 Cb 0.09 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 3ife s ILE 163 CO 0.49 -0.57 0.88 -0.54 0.00 0.00 0.00 174.94 175.20 3ife s LYS 164 N 3.00 4.43 0.14 2.79 -0.14 -1.26 -4.98 119.74 123.73 3ife s LYS 164 Ca 0.26 1.16 -0.24 0.00 -1.36 0.00 0.00 55.97 55.80 3ife s LYS 164 Cb -0.13 -2.72 0.07 0.00 -1.68 0.00 0.00 37.83 33.37 3ife s LYS 164 CO 0.19 0.26 0.64 -3.38 -0.76 0.00 0.00 175.35 172.30 3ife s HIS 165 N -1.68 -0.51 0.06 3.18 -3.43 -0.71 -4.37 115.29 107.83 3ife s HIS 165 Ca 0.50 0.30 -0.01 0.00 -0.80 0.00 0.00 55.06 55.05 3ife s HIS 165 Cb -0.17 0.56 0.01 0.00 -1.43 0.00 0.00 32.58 31.56 3ife s HIS 165 CO 0.21 -0.83 0.08 0.41 -2.00 0.00 0.00 174.74 172.62 3ife n GLY 166 N -0.37 -0.42 3.76 -1.38 0.00 -1.26 -0.14 105.19 105.38 3ife n GLY 166 Ca -0.16 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 3ife n GLY 166 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ife s LYS 167 N -2.96 4.33 -0.03 1.61 2.20 -1.26 -4.25 119.74 119.39 3ife s LYS 167 Ca 0.05 2.22 0.06 0.00 -0.36 0.00 0.00 55.97 57.94 3ife s LYS 167 Cb -0.00 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.21 3ife s LYS 167 CO 0.03 -0.26 -0.21 0.42 -0.36 0.00 0.00 175.35 174.97 3ife s ILE 168 N -0.67 1.65 -0.02 5.43 1.01 -0.58 -2.66 121.20 125.36 3ife s ILE 168 Ca 0.53 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.37 3ife s ILE 168 Cb -0.40 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 3ife s ILE 168 CO 0.48 0.47 -0.19 -0.13 0.00 0.00 0.00 174.94 175.57 3ife s ARG 169 N -0.33 2.26 0.08 2.79 1.81 -0.06 -0.47 118.95 125.04 3ife s ARG 169 Ca 0.04 -0.84 0.08 0.00 -1.72 0.00 0.00 55.73 53.29 3ife s ARG 169 Cb -0.10 -2.22 -0.03 0.00 -0.45 0.00 0.00 34.95 32.16 3ife s ARG 169 CO 0.00 0.58 -0.21 0.14 -0.68 0.00 0.00 175.30 175.13 3ife s VAL 170 N -0.74 1.75 -0.02 3.52 -7.23 -0.19 -1.35 120.40 116.14 3ife s VAL 170 Ca 0.12 -1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 58.86 3ife s VAL 170 Cb -0.10 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.29 3ife s VAL 170 CO 0.01 0.07 0.04 0.00 -0.31 0.00 0.00 175.10 174.91 3ife s ALA 171 N -1.00 -0.04 -0.17 1.32 0.00 -0.84 -1.75 121.76 119.28 3ife s ALA 171 Ca 0.08 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.25 3ife s ALA 171 Cb -0.10 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3ife s ALA 171 CO 0.03 -0.06 -0.20 -0.06 0.00 0.00 0.00 175.76 175.48 3ife s PHE 172 N 0.47 2.67 0.02 0.00 0.08 -0.29 -2.23 117.98 118.70 3ife s PHE 172 Ca -0.04 -1.53 0.08 0.00 0.12 0.00 0.00 56.93 55.57 3ife s PHE 172 Cb -0.05 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 3ife s PHE 172 CO -0.01 -0.75 -0.24 0.95 -0.10 0.00 0.00 175.22 175.06 3ife s THR 173 N 1.22 2.27 0.55 0.64 -4.23 -0.68 -1.47 115.64 113.93 3ife s THR 173 Ca 0.03 -1.25 -0.06 0.00 -1.18 0.00 0.00 61.69 59.23 3ife s THR 173 Cb -0.13 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 3ife s THR 173 CO -0.11 0.43 0.86 -2.16 -0.54 0.00 0.00 174.62 173.11 3ife s PRO 174 N -1.08 3.26 -1.58 3.99 0.04 -1.26 -0.47 135.00 137.90 3ife s PRO 174 Ca 0.12 0.16 -0.03 0.00 0.04 0.00 0.00 61.00 61.29 3ife s PRO 174 Cb -0.10 -2.30 0.01 0.00 0.04 0.00 0.00 34.50 32.15 3ife s PRO 174 CO 0.02 -0.47 0.34 -0.25 0.04 0.00 0.00 177.00 176.68 3ife n ASP 175 N -2.46 -5.71 -0.09 6.66 8.00 -1.26 -4.08 116.55 117.62 3ife n ASP 175 Ca 0.03 -0.16 -0.07 0.00 0.71 0.00 0.00 54.79 55.30 3ife n ASP 175 Cb 0.56 -4.68 0.11 0.00 -0.02 0.00 0.00 41.12 37.09 3ife n ASP 175 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3ife h GLU 176 N -0.78 0.76 0.00 -1.24 4.22 -1.91 -2.28 114.58 113.35 3ife h GLU 176 Ca -0.49 -0.28 0.00 0.00 0.08 0.00 0.00 59.36 58.67 3ife h GLU 176 Cb 1.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3ife h GLU 176 CO 0.56 0.88 0.00 0.39 -2.18 0.00 0.00 179.01 178.66 3ife n GLU 177 N -4.14 0.12 -0.21 1.92 -0.58 -1.26 -1.92 120.64 114.57 3ife n GLU 177 Ca 0.01 0.37 0.06 0.00 -0.42 0.00 0.00 57.16 57.18 3ife n GLU 177 Cb 0.40 -1.74 0.16 0.00 -0.57 0.00 0.00 31.44 29.69 3ife n GLU 177 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3ife n ILE 178 N -1.98 1.28 -1.03 -3.67 -5.35 -1.19 -4.76 119.36 102.67 3ife n ILE 178 Ca 0.02 -1.21 -0.01 0.00 -0.27 0.00 0.00 62.75 61.29 3ife n ILE 178 Cb 0.20 0.33 -0.00 0.00 -1.74 0.00 0.00 39.64 38.42 3ife n ILE 178 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ife n GLY 179 N 0.16 0.49 0.64 3.28 0.00 -0.81 -4.94 105.19 104.02 3ife n GLY 179 Ca 0.13 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.81 3ife n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ife n ARG 180 N -2.70 1.77 0.14 1.61 1.74 -0.87 -4.74 116.66 113.61 3ife n ARG 180 Ca -0.01 -1.69 -0.15 0.00 -0.77 0.00 0.00 57.85 55.23 3ife n ARG 180 Cb 0.07 -1.28 -0.08 0.00 -1.02 0.00 0.00 32.46 30.15 3ife n ARG 180 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3ife h GLY 181 N 2.51 -0.87 2.00 -0.13 0.00 -1.66 -2.52 103.07 102.40 3ife h GLY 181 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3ife h GLY 181 CO 0.00 -0.28 0.00 -2.55 0.00 0.00 0.00 176.54 173.71 3ife h PRO 182 N -0.69 0.00 -0.57 4.80 0.11 -1.89 -3.21 132.00 130.54 3ife h PRO 182 Ca 0.01 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.26 3ife h PRO 182 Cb 0.69 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 3ife h PRO 182 CO -0.21 0.00 0.40 0.00 -0.21 0.00 0.00 178.00 177.98 3ife h ALA 183 N 2.01 2.33 0.00 -0.75 0.00 -1.77 -2.36 119.26 118.72 3ife h ALA 183 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ife h ALA 183 Cb 0.42 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3ife h ALA 183 CO 0.00 -0.49 -0.31 0.72 0.00 0.00 0.00 179.25 179.17 3ife n HIS 184 N -4.42 0.00 -2.97 0.00 8.25 -1.21 -5.01 115.22 109.86 3ife n HIS 184 Ca 0.10 -0.89 -0.42 0.00 -0.26 0.00 0.00 57.72 56.26 3ife n HIS 184 Cb 0.54 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 3ife n HIS 184 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3ife s PHE 185 N -2.16 3.25 -0.72 4.41 5.36 -0.89 -4.99 117.98 122.25 3ife s PHE 185 Ca 0.28 0.90 -0.19 0.00 -0.96 0.00 0.00 56.93 56.96 3ife s PHE 185 Cb 0.26 -3.08 0.12 0.00 -0.34 0.00 0.00 43.02 39.98 3ife s PHE 185 CO -0.02 -0.46 0.88 0.34 -1.46 0.00 0.00 175.22 174.50 3ife s ASP 186 N 1.50 6.36 0.28 6.13 -1.08 -1.26 -4.90 116.67 123.70 3ife s ASP 186 Ca 0.31 -1.63 -0.02 0.00 -0.52 0.00 0.00 52.55 50.69 3ife s ASP 186 Cb -0.15 -2.34 0.39 0.00 -1.46 0.00 0.00 42.92 39.36 3ife s ASP 186 CO 0.10 -1.12 1.87 0.58 0.52 0.00 0.00 175.17 177.12 3ife h VAL 187 N 5.80 1.22 -0.38 1.11 2.07 -1.94 -1.10 116.25 123.02 3ife h VAL 187 Ca -0.13 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3ife h VAL 187 Cb 1.06 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3ife h VAL 187 CO 1.09 0.27 0.14 -0.08 0.02 0.00 0.00 177.57 179.01 3ife h GLU 188 N 0.94 0.58 -0.24 1.57 4.22 -1.96 -2.21 114.58 117.48 3ife h GLU 188 Ca 0.22 -0.11 -0.07 0.00 0.08 0.00 0.00 59.36 59.49 3ife h GLU 188 Cb 0.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3ife h GLU 188 CO -0.02 0.57 -0.14 0.00 -2.18 0.00 0.00 179.01 177.23 3ife h ALA 189 N 0.99 1.32 -0.67 2.92 0.00 -1.89 -2.61 119.26 119.31 3ife h ALA 189 Ca 0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3ife h ALA 189 Cb 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ife h ALA 189 CO -0.01 0.46 0.23 0.35 0.00 0.00 0.00 179.25 180.27 3ife h PHE 190 N 0.37 1.06 -2.88 0.00 3.57 -0.85 -3.47 116.94 114.74 3ife h PHE 190 Ca 0.07 -0.10 -0.29 0.00 3.53 0.00 0.00 57.97 61.18 3ife h PHE 190 Cb 0.47 -0.31 0.02 0.00 2.79 0.00 0.00 35.95 38.93 3ife h PHE 190 CO 0.01 0.85 -0.41 0.41 -2.23 0.00 0.00 178.31 176.94 3ife n GLY 191 N -0.76 -0.19 3.57 2.40 0.00 -0.86 -4.92 105.19 104.43 3ife n GLY 191 Ca 0.05 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 3ife n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ife s ALA 192 N -2.90 2.94 0.14 4.61 0.00 -1.26 -4.84 121.76 120.45 3ife s ALA 192 Ca 0.14 -1.36 -0.06 0.00 0.00 0.00 0.00 51.96 50.69 3ife s ALA 192 Cb -0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3ife s ALA 192 CO 0.18 0.55 1.37 0.77 0.00 0.00 0.00 175.76 178.63 3ife h SER 193 N 3.27 0.65 -5.02 0.00 0.02 -1.36 -3.48 113.55 107.63 3ife h SER 193 Ca -0.48 -0.44 0.08 0.00 -0.84 0.00 0.00 61.79 60.10 3ife h SER 193 Cb 1.18 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.48 3ife h SER 193 CO 0.53 1.21 0.25 0.72 -1.14 0.00 0.00 176.83 178.39 3ife s PHE 194 N -3.62 -0.20 0.21 3.45 -0.12 -1.25 -4.36 117.98 112.09 3ife s PHE 194 Ca -0.07 -0.24 -0.13 0.00 -0.05 0.00 0.00 56.93 56.44 3ife s PHE 194 Cb 0.10 0.70 0.00 0.00 -0.63 0.00 0.00 43.02 43.19 3ife s PHE 194 CO 0.87 -1.19 0.43 0.00 -0.05 0.00 0.00 175.22 175.27 3ife s ALA 195 N -3.86 -0.33 -0.14 1.99 0.00 -0.60 -1.20 121.76 117.61 3ife s ALA 195 Ca 0.11 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3ife s ALA 195 Cb -0.05 0.96 0.02 0.00 0.00 0.00 0.00 23.12 24.04 3ife s ALA 195 CO 0.06 -0.78 -0.18 0.71 0.00 0.00 0.00 175.76 175.57 3ife s TYR 196 N -3.97 2.39 -0.07 0.00 2.02 0.20 -3.37 117.35 114.56 3ife s TYR 196 Ca 0.18 -1.29 -0.25 0.00 -0.37 0.00 0.00 57.07 55.34 3ife s TYR 196 Cb 0.00 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 3ife s TYR 196 CO 0.04 -0.65 0.78 1.41 -1.57 0.00 0.00 175.55 175.56 3ife s MET 197 N 1.17 4.44 -1.11 -0.62 -2.45 -0.00 -1.16 119.30 119.57 3ife s MET 197 Ca -0.01 1.02 -0.05 0.00 -1.25 0.00 0.00 55.69 55.40 3ife s MET 197 Cb -0.14 -3.47 0.29 0.00 1.25 0.00 0.00 34.83 32.76 3ife s MET 197 CO -0.07 -0.02 1.48 -1.33 1.05 0.00 0.00 175.02 176.13 3ife n MET 198 N 4.03 4.25 -2.01 4.11 0.00 -0.16 -0.00 117.12 127.34 3ife n MET 198 Ca 0.01 -4.42 -0.00 0.00 0.00 0.00 0.00 57.70 53.30 3ife n MET 198 Cb 0.51 -2.57 0.03 0.00 0.00 0.00 0.00 33.22 31.19 3ife n MET 198 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3ife n ASP 199 N 1.86 0.47 -1.09 7.83 2.03 -1.10 -4.13 116.55 122.41 3ife n ASP 199 Ca 0.28 -2.04 0.08 0.00 0.52 0.00 0.00 54.79 53.63 3ife n ASP 199 Cb 0.34 -0.11 0.26 0.00 -0.72 0.00 0.00 41.12 40.90 3ife n ASP 199 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ife n GLY 200 N -0.24 2.85 5.56 0.27 0.00 -0.04 -4.92 105.19 108.67 3ife n GLY 200 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3ife n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ife n GLY 201 N 0.83 -0.50 3.63 -0.02 0.00 -1.26 -4.35 105.19 103.52 3ife n GLY 201 Ca 0.20 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 3ife n GLY 201 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ife n PRO 202 N 0.00 -0.16 -1.40 1.61 -0.02 -1.17 -0.74 135.00 133.12 3ife n PRO 202 Ca 0.00 0.02 -0.55 0.00 -2.02 0.00 0.00 63.50 60.95 3ife n PRO 202 Cb 0.00 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.11 3ife n PRO 202 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3ife n LEU 203 N -3.22 0.28 0.00 2.45 7.94 -1.26 -1.98 117.00 121.20 3ife n LEU 203 Ca 0.12 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 3ife n LEU 203 Cb 0.52 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.65 3ife n LEU 203 CO 0.49 -1.46 0.00 0.61 -1.11 0.00 0.00 177.39 175.92 3ife n GLY 204 N 1.93 1.88 3.64 -3.96 0.00 -1.26 -4.78 105.19 102.63 3ife n GLY 204 Ca 0.20 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.74 3ife n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ife n GLY 205 N -2.00 0.86 2.90 -0.02 0.00 -0.84 -0.77 105.19 105.32 3ife n GLY 205 Ca 0.00 0.66 -0.15 0.00 0.00 0.00 0.00 46.02 46.53 3ife n GLY 205 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ife s LEU 206 N 0.72 -0.09 -0.06 0.99 2.96 -0.72 -1.57 118.68 120.91 3ife s LEU 206 Ca 0.80 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 55.16 3ife s LEU 206 Cb -0.78 0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.35 3ife s LEU 206 CO 0.42 -0.24 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.47 3ife s GLU 207 N 2.24 1.70 0.00 1.98 2.02 -0.27 -2.06 118.70 124.31 3ife s GLU 207 Ca 0.01 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.56 3ife s GLU 207 Cb -0.12 -1.41 0.00 0.00 0.10 0.00 0.00 34.13 32.70 3ife s GLU 207 CO -0.07 0.06 0.37 2.48 0.02 0.00 0.00 175.26 178.13 3ife n TYR 208 N 3.68 0.00 -4.10 1.61 0.18 -1.26 -0.76 117.16 116.51 3ife n TYR 208 Ca -0.22 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.40 3ife n TYR 208 Cb 0.52 0.11 -0.15 0.00 -0.38 0.00 0.00 39.34 39.44 3ife n TYR 208 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3ife s GLU 209 N 0.00 0.39 0.20 -3.48 2.02 -1.26 -3.43 118.70 113.14 3ife s GLU 209 Ca 0.00 -0.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.80 3ife s GLU 209 Cb 0.00 -0.41 -0.02 0.00 0.10 0.00 0.00 34.13 33.80 3ife s GLU 209 CO 0.00 0.05 0.26 -1.54 0.02 0.00 0.00 175.26 174.05 3ife s SER 210 N 0.12 0.07 0.52 -0.19 1.04 -1.26 -0.78 113.70 113.22 3ife s SER 210 Ca -0.01 -1.12 -0.20 0.00 0.48 0.00 0.00 55.95 55.10 3ife s SER 210 Cb -0.04 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.45 3ife s SER 210 CO -0.00 -0.92 1.12 -0.36 0.98 0.00 0.00 173.24 174.05 3ife s PHE 211 N -4.06 2.75 0.17 5.02 0.08 -1.00 -4.02 117.98 116.92 3ife s PHE 211 Ca 0.27 1.55 -0.20 0.00 0.12 0.00 0.00 56.93 58.67 3ife s PHE 211 Cb 0.04 -3.26 -0.08 0.00 -0.57 0.00 0.00 43.02 39.16 3ife s PHE 211 CO 0.07 -1.43 0.68 -0.80 -0.10 0.00 0.00 175.22 173.65 3ife s ASN 212 N -1.77 7.10 -0.02 1.36 0.01 0.05 -3.05 114.94 118.62 3ife s ASN 212 Ca 0.71 1.40 -0.03 0.00 -0.71 0.00 0.00 52.86 54.23 3ife s ASN 212 Cb -0.23 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.03 3ife s ASN 212 CO 0.26 0.13 0.07 0.00 -1.51 0.00 0.00 177.10 176.05 3ife s ALA 213 N -1.35 -0.16 0.04 0.60 0.00 0.13 -1.73 121.76 119.29 3ife s ALA 213 Ca 0.38 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 3ife s ALA 213 Cb -0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3ife s ALA 213 CO 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 175.76 175.92 3ife s ALA 214 N -0.17 0.26 0.06 0.00 0.00 -0.62 -0.04 121.76 121.25 3ife s ALA 214 Ca -0.02 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.15 3ife s ALA 214 Cb -0.02 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3ife s ALA 214 CO 0.00 -0.30 -0.25 0.20 0.00 0.00 0.00 175.76 175.41 3ife s GLY 215 N -2.32 1.38 0.02 0.00 0.00 -0.28 -0.92 107.32 105.19 3ife s GLY 215 Ca -0.02 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.45 3ife s GLY 215 CO -0.06 -1.17 -0.07 0.00 0.00 0.00 0.00 173.10 171.79 3ife s ALA 216 N -0.85 0.53 -0.11 3.20 0.00 -0.02 -1.60 121.76 122.91 3ife s ALA 216 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3ife s ALA 216 Cb -0.10 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3ife s ALA 216 CO 0.03 0.03 -0.10 0.21 0.00 0.00 0.00 175.76 175.93 3ife s LYS 217 N -1.00 1.72 -0.16 0.00 2.20 0.26 -0.65 119.74 122.11 3ife s LYS 217 Ca -0.05 -0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 55.18 3ife s LYS 217 Cb -0.07 -1.64 -0.02 0.00 -1.51 0.00 0.00 37.83 34.58 3ife s LYS 217 CO 0.00 -0.19 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.24 3ife s LEU 218 N 1.41 3.12 -0.16 5.43 2.01 0.48 -1.04 118.68 129.93 3ife s LEU 218 Ca 0.00 -0.19 -0.02 0.00 0.01 0.00 0.00 54.13 53.93 3ife s LEU 218 Cb -0.13 -1.75 -0.01 0.00 0.01 0.00 0.00 46.19 44.30 3ife s LEU 218 CO -0.06 0.15 -0.09 -0.89 1.01 0.00 0.00 176.35 176.47 3ife s THR 219 N 0.49 3.31 -0.13 5.49 2.01 -0.16 -0.70 115.64 125.95 3ife s THR 219 Ca -0.04 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 3ife s THR 219 Cb -0.15 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 3ife s THR 219 CO 0.03 0.49 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.00 3ife s PHE 220 N 0.71 2.91 -0.11 4.92 0.08 0.65 -0.76 117.98 126.39 3ife s PHE 220 Ca -0.04 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.64 3ife s PHE 220 Cb -0.15 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 3ife s PHE 220 CO 0.02 -0.04 -0.16 -0.80 -0.10 0.00 0.00 175.22 174.13 3ife s ASN 221 N 0.13 3.74 0.00 1.36 0.01 -0.22 -1.25 114.94 118.72 3ife s ASN 221 Ca -0.04 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 3ife s ASN 221 Cb -0.14 -1.42 0.00 0.00 0.41 0.00 0.00 41.25 40.09 3ife s ASN 221 CO 0.04 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.43 3ife n GLY 222 N 3.34 6.68 2.71 0.66 0.00 0.57 -4.67 105.19 114.49 3ife n GLY 222 Ca -0.18 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 3ife n GLY 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ife s THR 223 N 0.18 -0.15 0.17 2.61 2.01 -0.06 -4.76 115.64 115.64 3ife s THR 223 Ca 0.00 0.40 -0.07 0.00 0.31 0.00 0.00 61.69 62.34 3ife s THR 223 Cb 0.00 -0.19 -0.06 0.00 0.01 0.00 0.00 72.50 72.26 3ife s THR 223 CO 0.00 0.17 0.44 0.21 -0.69 0.00 0.00 174.62 174.75 3ife s ASN 224 N 2.20 6.55 0.29 3.53 2.47 -1.26 -1.41 114.94 127.30 3ife s ASN 224 Ca 0.04 0.73 -0.11 0.00 0.42 0.00 0.00 52.86 53.95 3ife s ASN 224 Cb -0.12 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 3ife s ASN 224 CO -0.04 0.01 0.52 0.42 -3.72 0.00 0.00 177.10 174.29 3ife s THR 225 N -1.71 0.00 0.23 -5.21 -4.23 -1.26 -4.94 115.64 98.52 3ife s THR 225 Ca 0.43 -1.40 -0.31 0.00 -1.18 0.00 0.00 61.69 59.23 3ife s THR 225 Cb -0.12 -2.38 -0.10 0.00 1.34 0.00 0.00 72.50 71.24 3ife s THR 225 CO 0.23 0.00 1.53 -1.00 -0.54 0.00 0.00 174.62 174.84 3ife s HIS 226 N -3.60 2.97 0.37 3.99 3.76 -1.26 -4.87 115.29 116.65 3ife s HIS 226 Ca 0.23 0.80 0.11 0.00 -0.15 0.00 0.00 55.06 56.05 3ife s HIS 226 Cb -0.01 -3.92 0.88 0.00 1.11 0.00 0.00 32.58 30.63 3ife s HIS 226 CO 0.12 -3.20 1.86 -1.35 -0.85 0.00 0.00 174.74 171.32 3ife h PRO 227 N 5.69 0.61 0.00 8.40 0.11 -2.00 -1.96 132.00 142.85 3ife h PRO 227 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3ife h PRO 227 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3ife h PRO 227 CO 0.84 0.40 -0.21 0.78 -0.21 0.00 0.00 178.00 179.60 3ife h GLY 228 N 0.63 0.00 -1.66 -0.55 0.00 -2.06 -3.04 103.07 96.38 3ife h GLY 228 Ca 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.68 3ife h GLY 228 CO -0.21 0.00 -0.23 -1.30 0.00 0.00 0.00 176.54 174.80 3ife n THR 229 N -3.88 2.43 0.52 4.70 -2.24 -0.75 -4.78 114.28 110.29 3ife n THR 229 Ca -0.02 -2.93 0.13 0.00 -2.27 0.00 0.00 64.05 58.96 3ife n THR 229 Cb 0.30 -0.29 0.33 0.00 -2.10 0.00 0.00 70.33 68.56 3ife n THR 229 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ife h ALA 230 N 1.00 0.96 -1.34 6.98 0.00 -1.39 -3.46 119.26 122.01 3ife h ALA 230 Ca 0.14 0.00 -0.79 0.00 0.00 0.00 0.00 54.91 54.26 3ife h ALA 230 Cb 1.42 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.23 3ife h ALA 230 CO 0.25 0.00 0.77 1.17 0.00 0.00 0.00 179.25 181.44 3ife n LYS 231 N -2.45 0.70 -1.54 0.00 3.00 -1.26 -1.02 118.16 115.58 3ife n LYS 231 Ca 0.05 0.26 -0.17 0.00 -0.00 0.00 0.00 58.31 58.45 3ife n LYS 231 Cb 0.46 -1.87 -0.07 0.00 0.00 0.00 0.00 35.03 33.55 3ife n LYS 231 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3ife n ASN 232 N 4.61 -4.52 0.02 3.14 3.02 -1.26 -4.72 115.26 115.54 3ife n ASN 232 Ca 0.27 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 3ife n ASN 232 Cb 0.06 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.16 3ife n ASN 232 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ife n LYS 233 N -2.17 0.00 -2.18 3.52 5.02 -0.19 -5.06 118.16 117.09 3ife n LYS 233 Ca -0.17 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.73 3ife n LYS 233 Cb 0.57 -0.36 -0.01 0.00 -0.02 0.00 0.00 35.03 35.20 3ife n LYS 233 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3ife s MET 234 N -2.00 4.02 -0.08 1.97 1.75 -0.39 -4.80 119.30 119.77 3ife s MET 234 Ca 0.00 1.98 -0.02 0.00 -1.25 0.00 0.00 55.69 56.41 3ife s MET 234 Cb 0.00 -2.72 0.03 0.00 2.84 0.00 0.00 34.83 34.98 3ife s MET 234 CO 0.00 -0.39 0.01 0.50 -0.65 0.00 0.00 175.02 174.49 3ife s ARG 235 N -2.25 0.52 -0.53 4.11 3.52 -0.50 -4.92 118.95 118.89 3ife s ARG 235 Ca 0.57 0.09 -0.22 0.00 -0.13 0.00 0.00 55.73 56.04 3ife s ARG 235 Cb -0.34 -1.03 0.05 0.00 -1.56 0.00 0.00 34.95 32.07 3ife s ARG 235 CO 0.43 -0.34 0.82 1.21 -0.81 0.00 0.00 175.30 176.61 3ife s ASN 236 N 1.99 6.29 0.34 -2.12 3.84 -1.26 -0.88 114.94 123.14 3ife s ASN 236 Ca 0.04 -0.58 0.04 0.00 0.21 0.00 0.00 52.86 52.58 3ife s ASN 236 Cb -0.13 -2.38 0.66 0.00 -0.55 0.00 0.00 41.25 38.86 3ife s ASN 236 CO -0.05 -1.10 1.94 0.00 -2.79 0.00 0.00 177.10 175.10 3ife h ALA 237 N 9.19 1.63 -0.80 1.71 0.00 -1.06 -1.33 119.26 128.60 3ife h ALA 237 Ca -0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3ife h ALA 237 Cb 1.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3ife h ALA 237 CO 1.04 0.25 0.35 1.15 0.00 0.00 0.00 179.25 182.03 3ife h THR 238 N 0.85 1.26 -0.44 0.00 2.02 -1.74 -1.53 112.91 113.33 3ife h THR 238 Ca 0.34 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 3ife h THR 238 Cb 0.23 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3ife h THR 238 CO -0.12 0.32 -0.01 0.11 0.37 0.00 0.00 175.52 176.19 3ife h LYS 239 N 1.15 0.71 -0.85 6.66 1.57 -1.60 -1.93 116.57 122.28 3ife h LYS 239 Ca 0.27 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3ife h LYS 239 Cb 0.17 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3ife h LYS 239 CO -0.03 0.74 0.56 -0.07 -0.57 0.00 0.00 179.45 180.08 3ife h LEU 240 N 0.67 0.98 -0.94 2.94 4.07 -0.77 0.21 115.31 122.46 3ife h LEU 240 Ca 0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3ife h LEU 240 Cb 0.43 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 3ife h LEU 240 CO 0.02 0.72 0.57 0.00 -1.08 0.00 0.00 178.44 178.67 3ife h ALA 241 N 1.31 1.20 -0.29 1.53 0.00 -0.77 0.24 119.26 122.48 3ife h ALA 241 Ca 0.31 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3ife h ALA 241 Cb -0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.27 3ife h ALA 241 CO -0.07 0.65 -0.35 0.52 0.00 0.00 0.00 179.25 180.00 3ife h MET 242 N 1.29 0.64 -0.47 0.00 2.86 -0.71 -1.54 114.93 116.99 3ife h MET 242 Ca 0.34 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3ife h MET 242 Cb -0.07 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3ife h MET 242 CO -0.06 0.89 0.22 1.49 1.06 0.00 0.00 176.91 180.51 3ife h GLU 243 N 0.53 0.68 0.14 1.72 4.81 -0.10 0.49 114.58 122.86 3ife h GLU 243 Ca 0.06 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ife h GLU 243 Cb 0.85 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3ife h GLU 243 CO 0.07 0.59 -0.10 0.35 -0.73 0.00 0.00 179.01 179.19 3ife h PHE 244 N 0.62 -0.27 -0.67 0.92 3.57 -0.79 -2.67 116.94 117.65 3ife h PHE 244 Ca 0.16 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3ife h PHE 244 Cb 0.14 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3ife h PHE 244 CO -0.01 -0.16 0.45 -0.97 -2.23 0.00 0.00 178.31 175.39 3ife h ASN 245 N -0.25 0.77 -0.02 0.41 -0.73 -1.04 -1.94 115.58 112.78 3ife h ASN 245 Ca -0.01 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.15 3ife h ASN 245 Cb 0.22 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.62 3ife h ASN 245 CO -0.00 0.56 0.02 1.23 -0.37 0.00 0.00 177.43 178.86 3ife h GLY 246 N 0.91 0.00 2.00 1.57 0.00 -0.56 -1.48 103.07 105.51 3ife h GLY 246 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3ife h GLY 246 CO -0.05 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.94 3ife h HIS 247 N 0.00 0.00 -3.82 5.60 3.86 -1.15 -3.46 115.15 116.19 3ife h HIS 247 Ca 0.01 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.74 3ife h HIS 247 Cb 0.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3ife h HIS 247 CO 0.00 0.00 0.20 -0.51 0.86 0.00 0.00 177.93 178.48 3ife s LEU 248 N -5.24 4.11 0.06 2.43 1.43 -0.56 -5.00 118.68 115.92 3ife s LEU 248 Ca 0.06 1.50 -0.31 0.00 -1.03 0.00 0.00 54.13 54.35 3ife s LEU 248 Cb 0.09 -4.12 -0.08 0.00 0.03 0.00 0.00 46.19 42.11 3ife s LEU 248 CO 0.54 -0.19 1.72 -2.84 0.23 0.00 0.00 176.35 175.81 3ife s PRO 249 N -2.74 4.18 0.25 1.29 0.02 -1.26 -4.89 135.00 131.85 3ife s PRO 249 Ca 0.54 2.39 -0.03 0.00 0.02 0.00 0.00 61.00 63.92 3ife s PRO 249 Cb -0.12 -3.70 0.43 0.00 0.02 0.00 0.00 34.50 31.13 3ife s PRO 249 CO 0.18 -0.79 1.80 0.28 -0.33 0.00 0.00 177.00 178.14 3ife h VAL 250 N 4.95 0.88 -0.00 3.83 2.07 -1.92 -2.44 116.25 123.62 3ife h VAL 250 Ca -0.44 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3ife h VAL 250 Cb 1.21 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3ife h VAL 250 CO 0.94 0.14 -0.03 -0.62 0.02 0.00 0.00 177.57 178.02 3ife n GLU 251 N -4.76 0.13 -2.45 1.57 -0.58 -1.26 -4.28 120.64 109.00 3ife n GLU 251 Ca 0.15 -0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.45 3ife n GLU 251 Cb 0.31 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3ife n GLU 251 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ife n GLU 252 N -1.43 3.69 -3.97 3.49 1.02 -0.92 -4.68 120.64 117.84 3ife n GLU 252 Ca 0.09 -3.66 -0.09 0.00 -0.02 0.00 0.00 57.16 53.48 3ife n GLU 252 Cb 0.31 -2.89 -0.10 0.00 -0.02 0.00 0.00 31.44 28.75 3ife n GLU 252 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ife s ALA 253 N 0.14 0.10 0.36 0.62 0.00 -1.26 -1.31 121.76 120.41 3ife s ALA 253 Ca 0.39 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.71 3ife s ALA 253 Cb 0.08 0.24 0.77 0.00 0.00 0.00 0.00 23.12 24.21 3ife s ALA 253 CO 0.01 -0.30 1.92 -1.35 0.00 0.00 0.00 175.76 176.04 3ife h PRO 254 N 3.73 0.71 0.00 0.00 0.11 -1.91 -2.16 132.00 132.48 3ife h PRO 254 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ife h PRO 254 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ife h PRO 254 CO 0.52 0.47 0.00 -0.85 -0.21 0.00 0.00 178.00 177.93 3ife n GLU 255 N -4.51 0.13 -0.00 1.05 0.00 -1.26 -2.55 120.64 113.49 3ife n GLU 255 Ca 0.14 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.49 3ife n GLU 255 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.28 3ife n GLU 255 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3ife n TYR 256 N -1.37 0.00 -4.32 -1.84 4.01 -0.83 -5.07 117.16 107.74 3ife n TYR 256 Ca 0.06 -0.11 -0.24 0.00 -0.16 0.00 0.00 57.90 57.45 3ife n TYR 256 Cb 0.14 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 39.04 3ife n TYR 256 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3ife s THR 257 N -0.25 1.83 0.34 -0.72 -4.23 -1.06 -4.97 115.64 106.58 3ife s THR 257 Ca 0.01 -1.73 -0.08 0.00 -1.18 0.00 0.00 61.69 58.71 3ife s THR 257 Cb 0.00 -1.73 0.03 0.00 1.34 0.00 0.00 72.50 72.15 3ife s THR 257 CO 0.00 -0.15 0.59 -1.84 -0.54 0.00 0.00 174.62 172.69 3ife n GLU 258 N 0.73 0.85 0.00 3.99 0.28 -1.26 -4.93 120.64 120.30 3ife n GLU 258 Ca -0.17 -2.29 0.00 0.00 -0.16 0.00 0.00 57.16 54.54 3ife n GLU 258 Cb 0.55 2.50 0.00 0.00 1.43 0.00 0.00 31.44 35.92 3ife n GLU 258 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ife n GLY 259 N -0.51 4.17 0.82 -1.84 0.00 -1.26 -1.90 105.19 104.67 3ife n GLY 259 Ca -0.04 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3ife n GLY 259 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ife n TYR 260 N 13.56 0.00 -2.28 1.61 4.01 -1.26 -4.87 117.16 127.93 3ife n TYR 260 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3ife n TYR 260 Cb 0.00 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 3ife n TYR 260 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3ife s GLU 261 N -2.15 4.38 0.57 -0.72 2.12 -0.80 -4.36 118.70 117.74 3ife s GLU 261 Ca 0.25 1.95 -0.06 0.00 0.36 0.00 0.00 54.97 57.47 3ife s GLU 261 Cb 0.19 -3.28 0.12 0.00 0.26 0.00 0.00 34.13 31.43 3ife s GLU 261 CO 0.38 -0.33 0.78 0.41 -0.54 0.00 0.00 175.26 175.97 3ife n GLY 262 N 3.21 -0.37 3.68 -1.50 0.00 -1.26 -4.50 105.19 104.45 3ife n GLY 262 Ca 0.10 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.23 3ife n GLY 262 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ife s PHE 263 N -2.48 -0.15 -0.09 1.61 -0.12 -0.25 -4.53 117.98 111.96 3ife s PHE 263 Ca 0.48 -0.08 -0.01 0.00 -0.05 0.00 0.00 56.93 57.27 3ife s PHE 263 Cb -0.02 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 3ife s PHE 263 CO 0.33 -0.66 -0.06 0.71 -0.05 0.00 0.00 175.22 175.49 3ife s TYR 264 N -3.08 2.98 -0.13 3.49 2.02 -0.43 -1.55 117.35 120.65 3ife s TYR 264 Ca 0.11 -0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 56.75 3ife s TYR 264 Cb -0.00 -1.78 0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3ife s TYR 264 CO -0.01 0.24 -0.08 -1.58 -1.57 0.00 0.00 175.55 172.55 3ife s HIS 265 N -0.51 1.64 -0.57 2.71 5.65 -0.06 -4.21 115.29 119.94 3ife s HIS 265 Ca 0.08 -0.88 -0.26 0.00 0.25 0.00 0.00 55.06 54.24 3ife s HIS 265 Cb -0.12 -1.31 0.04 0.00 -1.18 0.00 0.00 32.58 30.01 3ife s HIS 265 CO 0.02 -0.56 1.05 -1.17 -0.65 0.00 0.00 174.74 173.43 3ife s LEU 266 N 1.66 3.82 0.08 8.88 2.96 -1.26 -1.30 118.68 133.52 3ife s LEU 266 Ca 0.04 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 3ife s LEU 266 Cb -0.13 -2.95 -0.24 0.00 0.50 0.00 0.00 46.19 43.38 3ife s LEU 266 CO -0.09 -1.35 1.16 -0.07 -1.32 0.00 0.00 176.35 174.69 3ife h LEU 267 N 11.42 0.68 -7.00 -0.68 3.38 -1.21 -3.49 115.31 118.41 3ife h LEU 267 Ca -0.26 -0.63 0.09 0.00 0.09 0.00 0.00 57.88 57.17 3ife h LEU 267 Cb 1.07 -0.21 -0.17 0.00 0.09 0.00 0.00 40.66 41.43 3ife h LEU 267 CO 1.13 1.45 0.47 -0.94 0.09 0.00 0.00 178.44 180.65 3ife s SER 268 N -7.28 -0.40 -0.15 -0.43 1.04 -1.22 -4.99 113.70 100.28 3ife s SER 268 Ca -0.07 0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.42 3ife s SER 268 Cb 0.07 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.65 3ife s SER 268 CO 0.90 -0.59 0.31 -0.22 0.98 0.00 0.00 173.24 174.63 3ife s LEU 269 N -2.16 -0.30 -0.02 2.42 2.96 -1.26 -1.97 118.68 118.36 3ife s LEU 269 Ca 0.02 0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 54.65 3ife s LEU 269 Cb -0.01 0.93 0.03 0.00 0.50 0.00 0.00 46.19 47.64 3ife s LEU 269 CO -0.06 -0.23 0.03 0.20 -1.32 0.00 0.00 176.35 174.97 3ife s ASN 270 N 2.26 0.06 0.00 3.68 0.01 -0.68 -4.99 114.94 115.27 3ife s ASN 270 Ca -0.02 0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 3ife s ASN 270 Cb -0.12 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.49 3ife s ASN 270 CO -0.10 -0.11 0.00 0.61 -1.51 0.00 0.00 177.10 175.99 3ife n GLY 271 N 4.01 -0.94 0.00 0.66 0.00 -1.26 -0.79 105.19 106.86 3ife n GLY 271 Ca -0.25 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3ife n GLY 271 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ife n ASP 272 N 2.20 0.00 -0.04 1.61 5.68 -0.12 -4.96 116.55 120.93 3ife n ASP 272 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.19 3ife n ASP 272 Cb 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 3ife n ASP 272 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3ife h VAL 273 N 0.00 1.29 -0.09 2.12 2.07 -1.94 -2.86 116.25 116.84 3ife h VAL 273 Ca 0.00 -1.63 -0.24 0.00 0.82 0.00 0.00 66.70 65.66 3ife h VAL 273 Cb 0.00 1.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3ife h VAL 273 CO 0.00 0.52 -0.87 -0.08 0.02 0.00 0.00 177.57 177.16 3ife h GLU 274 N 0.56 0.76 -2.39 1.57 4.81 -1.86 0.18 114.58 118.20 3ife h GLU 274 Ca 0.04 -0.69 -0.08 0.00 -0.13 0.00 0.00 59.36 58.50 3ife h GLU 274 Cb 0.98 0.17 -0.21 0.00 0.63 0.00 0.00 28.75 30.31 3ife h GLU 274 CO 0.09 1.28 -0.03 -1.14 -0.73 0.00 0.00 179.01 178.48 3ife s GLN 275 N -3.58 0.74 0.01 1.92 0.74 -1.25 -0.32 119.66 117.93 3ife s GLN 275 Ca -0.10 0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.85 3ife s GLN 275 Cb 0.08 0.36 -0.01 0.00 1.10 0.00 0.00 33.01 34.54 3ife s GLN 275 CO 0.91 -0.15 -0.02 0.45 -0.55 0.00 0.00 175.29 175.94 3ife s SER 276 N -0.24 0.17 -0.09 6.67 0.15 -0.38 -0.94 113.70 119.05 3ife s SER 276 Ca -0.04 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.44 3ife s SER 276 Cb -0.03 0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 3ife s SER 276 CO 0.03 -0.09 -0.10 -0.54 1.20 0.00 0.00 173.24 173.74 3ife s LYS 277 N -0.49 1.62 -0.02 5.44 1.02 0.03 -0.25 119.74 127.08 3ife s LYS 277 Ca -0.05 -0.34 0.06 0.00 0.02 0.00 0.00 55.97 55.66 3ife s LYS 277 Cb -0.03 -1.48 -0.03 0.00 -0.52 0.00 0.00 37.83 35.77 3ife s LYS 277 CO -0.00 -0.11 -0.19 0.00 -0.92 0.00 0.00 175.35 174.13 3ife s ALA 278 N 1.13 2.49 -0.09 5.17 0.00 0.12 -1.69 121.76 128.89 3ife s ALA 278 Ca -0.06 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.86 3ife s ALA 278 Cb -0.14 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 3ife s ALA 278 CO -0.02 0.55 -0.18 0.71 0.00 0.00 0.00 175.76 176.83 3ife s TYR 279 N -0.73 2.66 0.11 0.00 2.02 -0.83 -0.38 117.35 120.19 3ife s TYR 279 Ca 0.12 -0.61 0.05 0.00 -0.37 0.00 0.00 57.07 56.25 3ife s TYR 279 Cb -0.10 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 3ife s TYR 279 CO 0.01 -0.15 -0.12 0.71 -1.57 0.00 0.00 175.55 174.42 3ife s TYR 280 N -0.01 1.23 0.14 2.71 1.51 0.17 -0.58 117.35 122.53 3ife s TYR 280 Ca -0.05 -0.58 0.10 0.00 -1.01 0.00 0.00 57.07 55.52 3ife s TYR 280 Cb -0.15 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 3ife s TYR 280 CO 0.05 0.07 -0.20 0.96 -1.11 0.00 0.00 175.55 175.32 3ife s ILE 281 N -2.14 2.66 -0.09 2.71 -4.36 -0.42 -0.84 121.20 118.71 3ife s ILE 281 Ca 0.06 -1.66 0.03 0.00 -0.26 0.00 0.00 60.65 58.82 3ife s ILE 281 Cb -0.05 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.44 3ife s ILE 281 CO 0.02 0.05 -0.19 -0.63 0.24 0.00 0.00 174.94 174.43 3ife s ILE 282 N -1.25 1.67 -0.01 8.37 1.09 -0.10 -0.89 121.20 130.08 3ife s ILE 282 Ca 0.18 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.96 3ife s ILE 282 Cb -0.10 -1.47 0.01 0.00 -1.06 0.00 0.00 42.46 39.84 3ife s ILE 282 CO 0.10 0.47 -0.00 -0.13 -0.10 0.00 0.00 174.94 175.28 3ife s ARG 283 N 0.60 0.12 -0.27 2.79 1.81 -0.60 -1.58 118.95 121.82 3ife s ARG 283 Ca -0.14 0.02 -0.24 0.00 -1.72 0.00 0.00 55.73 53.64 3ife s ARG 283 Cb -0.17 -0.20 0.09 0.00 -0.45 0.00 0.00 34.95 34.22 3ife s ARG 283 CO 0.05 -0.04 0.80 0.34 -0.68 0.00 0.00 175.30 175.77 3ife s ASP 284 N 0.37 -0.68 0.25 0.23 -1.08 -0.71 -1.09 116.67 113.96 3ife s ASP 284 Ca -0.03 1.30 0.10 0.00 -0.52 0.00 0.00 52.55 53.39 3ife s ASP 284 Cb -0.05 1.31 0.27 0.00 -1.46 0.00 0.00 42.92 42.98 3ife s ASP 284 CO -0.01 -0.22 1.56 -0.26 0.52 0.00 0.00 175.17 176.76 3ife h PHE 285 N 4.95 0.00 -3.37 -5.34 0.04 -1.84 0.17 116.94 111.56 3ife h PHE 285 Ca -0.29 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 59.90 3ife h PHE 285 Cb 1.17 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.24 3ife h PHE 285 CO 0.34 0.68 0.20 0.34 -0.60 0.00 0.00 178.31 179.27 3ife s ASP 286 N -6.83 6.82 0.15 2.17 2.15 -1.26 -4.71 116.67 115.17 3ife s ASP 286 Ca -0.01 1.00 -0.13 0.00 0.43 0.00 0.00 52.55 53.84 3ife s ASP 286 Cb 0.12 -2.39 0.03 0.00 -0.30 0.00 0.00 42.92 40.38 3ife s ASP 286 CO 0.77 -0.29 1.66 -0.09 -0.17 0.00 0.00 175.17 177.05 3ife h ARG 287 N 7.31 0.83 -0.51 4.34 9.65 -1.99 0.36 114.38 134.35 3ife h ARG 287 Ca -0.32 -0.20 0.01 0.00 -1.10 0.00 0.00 59.98 58.36 3ife h ARG 287 Cb 1.15 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.60 3ife h ARG 287 CO 0.79 0.80 0.34 -0.22 2.80 0.00 0.00 179.97 184.48 3ife h LYS 288 N 0.72 0.67 0.00 0.20 3.64 -1.98 -1.00 116.57 118.81 3ife h LYS 288 Ca 0.16 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3ife h LYS 288 Cb 0.35 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3ife h LYS 288 CO 0.00 0.44 -0.32 -0.91 -2.27 0.00 0.00 179.45 176.40 3ife h ASN 289 N 0.69 0.00 -0.14 4.20 2.35 -1.93 -0.61 115.58 120.14 3ife h ASN 289 Ca 0.19 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3ife h ASN 289 Cb -0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3ife h ASN 289 CO -0.04 0.32 -0.03 0.15 -1.65 0.00 0.00 177.43 176.18 3ife h PHE 290 N 0.00 0.30 -0.35 1.19 3.57 -0.44 -1.53 116.94 119.68 3ife h PHE 290 Ca -0.00 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 3ife h PHE 290 Cb 0.89 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3ife h PHE 290 CO 0.00 0.54 -0.06 0.93 -2.23 0.00 0.00 178.31 177.49 3ife h GLU 291 N -0.02 0.57 -0.41 1.11 4.39 -0.90 -2.27 114.58 117.05 3ife h GLU 291 Ca 0.04 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 3ife h GLU 291 Cb 0.44 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3ife h GLU 291 CO 0.01 0.64 -0.06 0.00 -1.16 0.00 0.00 179.01 178.45 3ife h ALA 292 N 1.40 1.12 -0.47 3.43 0.00 -0.99 -0.27 119.26 123.49 3ife h ALA 292 Ca 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3ife h ALA 292 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ife h ALA 292 CO 0.02 0.55 0.13 0.00 0.00 0.00 0.00 179.25 179.96 3ife h ARG 293 N 0.65 0.74 -0.66 0.00 3.08 -0.74 0.95 114.38 118.40 3ife h ARG 293 Ca 0.12 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3ife h ARG 293 Cb 0.49 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3ife h ARG 293 CO 0.03 0.72 0.37 0.87 -1.07 0.00 0.00 179.97 180.88 3ife h LYS 294 N 0.63 0.92 -0.88 0.04 1.57 -1.12 -2.21 116.57 115.52 3ife h LYS 294 Ca 0.15 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3ife h LYS 294 Cb 0.30 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3ife h LYS 294 CO -0.00 0.69 0.49 -0.97 -0.57 0.00 0.00 179.45 179.08 3ife h ASN 295 N 0.90 1.09 -0.31 0.86 -1.24 -0.74 -1.48 115.58 114.66 3ife h ASN 295 Ca 0.23 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.15 3ife h ASN 295 Cb 0.03 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.79 3ife h ASN 295 CO -0.04 0.87 0.20 0.74 -1.29 0.00 0.00 177.43 177.91 3ife h THR 296 N 1.23 1.10 -0.26 -3.57 2.02 -0.47 0.56 112.91 113.51 3ife h THR 296 Ca 0.31 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.29 3ife h THR 296 Cb 0.02 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3ife h THR 296 CO -0.05 0.10 0.14 0.40 0.37 0.00 0.00 175.52 176.48 3ife h ILE 297 N 0.41 1.02 -0.41 3.11 2.04 -0.96 -0.61 117.51 122.11 3ife h ILE 297 Ca 0.11 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 3ife h ILE 297 Cb -0.01 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3ife h ILE 297 CO -0.02 0.05 0.07 -0.33 0.00 0.00 0.00 178.15 177.92 3ife h GLU 298 N 0.30 0.62 -0.44 2.37 5.08 -0.95 -1.01 114.58 120.55 3ife h GLU 298 Ca 0.10 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3ife h GLU 298 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3ife h GLU 298 CO -0.05 0.59 -0.27 -0.91 -1.00 0.00 0.00 179.01 177.37 3ife h ASN 299 N 0.60 0.98 -0.45 1.42 2.35 -0.51 -0.95 115.58 119.03 3ife h ASN 299 Ca 0.13 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.45 3ife h ASN 299 Cb 0.28 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3ife h ASN 299 CO 0.00 1.18 0.11 0.40 -1.65 0.00 0.00 177.43 177.48 3ife h ILE 300 N 0.80 1.23 -0.34 2.81 2.04 -0.74 -0.95 117.51 122.36 3ife h ILE 300 Ca 0.09 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3ife h ILE 300 Cb 0.85 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3ife h ILE 300 CO 0.07 0.28 0.20 0.58 0.00 0.00 0.00 178.15 179.29 3ife h VAL 301 N 0.59 1.04 -0.49 1.67 2.07 -1.09 -0.97 116.25 119.07 3ife h VAL 301 Ca 0.14 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3ife h VAL 301 Cb 0.31 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3ife h VAL 301 CO 0.00 0.08 0.30 0.50 0.02 0.00 0.00 177.57 178.46 3ife h LYS 302 N 0.41 0.57 -0.76 1.57 3.64 -0.99 0.71 116.57 121.73 3ife h LYS 302 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3ife h LYS 302 Cb -0.00 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 3ife h LYS 302 CO -0.06 0.38 0.48 0.37 -2.27 0.00 0.00 179.45 178.35 3ife h GLN 303 N 0.59 1.01 -0.03 1.90 4.15 -0.85 -1.35 115.11 120.53 3ife h GLN 303 Ca 0.19 -0.08 -0.16 0.00 0.77 0.00 0.00 58.65 59.38 3ife h GLN 303 Cb 0.00 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 3ife h GLN 303 CO -0.08 0.69 -0.70 0.52 -1.93 0.00 0.00 178.83 177.34 3ife h MET 304 N 1.03 0.15 -0.22 1.69 2.86 -0.71 -2.60 114.93 117.14 3ife h MET 304 Ca 0.27 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.67 3ife h MET 304 Cb -0.08 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3ife h MET 304 CO -0.06 0.79 -0.36 1.96 1.06 0.00 0.00 176.91 180.31 3ife h GLN 305 N 0.11 0.48 -0.01 1.72 4.20 -0.53 0.95 115.11 122.02 3ife h GLN 305 Ca -0.02 -0.22 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 3ife h GLN 305 Cb 1.24 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 3ife h GLN 305 CO 0.10 0.77 -0.62 1.05 -0.67 0.00 0.00 178.83 179.46 3ife h GLU 306 N 0.41 0.05 0.06 1.46 4.11 -1.16 0.46 114.58 119.97 3ife h GLU 306 Ca 0.04 -0.04 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 3ife h GLU 306 Cb 0.82 0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.10 3ife h GLU 306 CO 0.07 0.66 -1.06 -0.22 0.07 0.00 0.00 179.01 178.53 3ife h LYS 307 N 0.04 0.61 -0.00 1.06 3.64 -1.17 -3.39 116.57 117.36 3ife h LYS 307 Ca -0.01 -0.74 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 3ife h LYS 307 Cb 1.11 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3ife h LYS 307 CO 0.08 1.32 -0.17 0.66 -2.27 0.00 0.00 179.45 179.07 3ife n TYR 308 N -3.90 0.00 0.00 1.91 4.01 0.30 -5.10 117.16 114.38 3ife n TYR 308 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3ife n TYR 308 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 3ife n TYR 308 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ife n GLY 309 N 0.85 2.50 0.31 2.72 0.00 0.16 -4.59 105.19 107.15 3ife n GLY 309 Ca 0.02 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.32 3ife n GLY 309 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ife h GLN 310 N 0.00 0.80 0.00 1.61 4.15 -1.92 -2.34 115.11 117.41 3ife h GLN 310 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ife h GLN 310 Cb 0.00 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.51 3ife h GLN 310 CO 0.00 0.53 0.00 -0.25 -1.93 0.00 0.00 178.83 177.18 3ife n ASP 311 N -4.72 0.64 0.20 -0.69 8.00 -1.26 -3.38 116.55 115.35 3ife n ASP 311 Ca 0.14 0.66 0.07 0.00 0.71 0.00 0.00 54.79 56.36 3ife n ASP 311 Cb 0.27 -0.79 0.41 0.00 -0.02 0.00 0.00 41.12 40.98 3ife n ASP 311 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ife h ALA 312 N 2.28 1.07 -3.45 2.24 0.00 -1.67 -3.41 119.26 116.33 3ife h ALA 312 Ca 0.00 -0.29 -0.39 0.00 0.00 0.00 0.00 54.91 54.23 3ife h ALA 312 Cb 0.37 -0.05 -0.34 0.00 0.00 0.00 0.00 17.79 17.76 3ife h ALA 312 CO 0.00 0.40 -0.76 0.08 0.00 0.00 0.00 179.25 178.97 3ife s VAL 313 N -3.74 0.39 -0.10 0.00 1.01 -1.22 -1.06 120.40 115.69 3ife s VAL 313 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3ife s VAL 313 Cb 0.11 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 36.05 3ife s VAL 313 CO 0.67 0.20 -0.20 -0.69 0.00 0.00 0.00 175.10 175.08 3ife s VAL 314 N 1.08 1.74 -0.18 2.92 1.01 0.06 -4.97 120.40 122.07 3ife s VAL 314 Ca -0.09 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 3ife s VAL 314 Cb -0.14 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3ife s VAL 314 CO -0.01 0.49 -0.16 -0.22 0.00 0.00 0.00 175.10 175.20 3ife s LEU 315 N 0.55 2.37 -0.20 3.92 2.96 -1.26 -0.99 118.68 126.03 3ife s LEU 315 Ca -0.15 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.15 3ife s LEU 315 Cb -0.17 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3ife s LEU 315 CO 0.05 0.02 0.03 -0.70 -1.32 0.00 0.00 176.35 174.44 3ife s GLU 316 N 1.18 3.75 -0.17 1.98 2.12 -0.21 -4.99 118.70 122.36 3ife s GLU 316 Ca 0.02 -0.45 -0.08 0.00 0.36 0.00 0.00 54.97 54.81 3ife s GLU 316 Cb -0.14 -3.17 0.06 0.00 0.26 0.00 0.00 34.13 31.14 3ife s GLU 316 CO -0.07 0.07 0.39 1.41 -0.54 0.00 0.00 175.26 176.53 3ife s MET 317 N 0.88 0.36 -0.03 4.30 1.75 -1.26 -0.57 119.30 124.72 3ife s MET 317 Ca 0.02 0.81 -0.02 0.00 -1.25 0.00 0.00 55.69 55.25 3ife s MET 317 Cb -0.14 0.03 0.01 0.00 2.84 0.00 0.00 34.83 37.57 3ife s MET 317 CO 0.02 -0.18 0.07 -0.80 -0.65 0.00 0.00 175.02 173.49 3ife s ASN 318 N 1.63 -0.06 0.56 1.11 0.01 -0.63 -5.00 114.94 112.57 3ife s ASN 318 Ca -0.08 0.15 -0.20 0.00 -0.71 0.00 0.00 52.86 52.02 3ife s ASN 318 Cb -0.09 0.13 -0.05 0.00 0.41 0.00 0.00 41.25 41.65 3ife s ASN 318 CO -0.12 -0.05 1.21 -1.81 -1.51 0.00 0.00 177.10 174.82 3ife s ASP 319 N 0.28 5.40 -0.10 -1.22 1.01 -1.26 -1.13 116.67 119.65 3ife s ASP 319 Ca -0.02 2.40 -0.06 0.00 0.71 0.00 0.00 52.55 55.58 3ife s ASP 319 Cb -0.03 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3ife s ASP 319 CO -0.01 -1.45 -0.15 0.00 0.21 0.00 0.00 175.17 173.77 3ife n GLN 320 N -1.32 0.24 -3.84 8.23 6.02 0.94 -4.86 117.38 122.80 3ife n GLN 320 Ca 0.12 0.11 -0.06 0.00 -0.01 0.00 0.00 57.00 57.15 3ife n GLN 320 Cb 0.49 -0.91 -0.02 0.00 1.02 0.00 0.00 30.24 30.82 3ife n GLN 320 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 3ife s TYR 321 N -2.25 -0.18 0.25 1.08 -0.85 -1.16 -5.00 117.35 109.23 3ife s TYR 321 Ca -0.16 -0.25 0.05 0.00 -0.52 0.00 0.00 57.07 56.19 3ife s TYR 321 Cb 0.05 0.70 -0.05 0.00 0.38 0.00 0.00 41.96 43.04 3ife s TYR 321 CO 0.20 -1.15 -0.03 0.71 -1.52 0.00 0.00 175.55 173.76 3ife s TYR 322 N -3.79 1.71 -0.18 -3.49 2.02 -1.26 -0.70 117.35 111.67 3ife s TYR 322 Ca 0.11 -0.82 -0.29 0.00 -0.37 0.00 0.00 57.07 55.70 3ife s TYR 322 Cb -0.05 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 3ife s TYR 322 CO 0.06 0.11 1.58 1.21 -1.57 0.00 0.00 175.55 176.93 3ife s ASN 323 N -3.36 6.51 0.65 2.29 3.84 -1.17 -4.67 114.94 119.03 3ife s ASN 323 Ca 0.28 1.75 0.43 0.00 0.21 0.00 0.00 52.86 55.53 3ife s ASN 323 Cb 0.05 -2.53 2.33 0.00 -0.55 0.00 0.00 41.25 40.54 3ife s ASN 323 CO 0.10 -1.13 2.31 0.00 -2.79 0.00 0.00 177.10 175.59 3ife h MET 324 N 10.16 0.00 -0.49 0.43 -0.00 -1.84 -2.43 114.93 120.78 3ife h MET 324 Ca -0.34 0.00 0.10 0.00 -0.00 0.00 0.00 59.70 59.46 3ife h MET 324 Cb 1.15 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.73 3ife h MET 324 CO 0.99 0.00 0.33 1.25 -0.00 0.00 0.00 176.91 179.48 3ife h LEU 325 N 0.00 0.21 -1.85 -0.10 5.85 -1.88 -0.59 115.31 116.95 3ife h LEU 325 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ife h LEU 325 Cb 0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3ife h LEU 325 CO 0.00 0.13 0.13 -0.33 -0.34 0.00 0.00 178.44 178.03 3ife h GLU 326 N 0.24 0.19 0.00 1.25 5.08 -1.78 -0.31 114.58 119.25 3ife h GLU 326 Ca 0.23 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3ife h GLU 326 Cb 0.58 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3ife h GLU 326 CO -0.04 0.13 -1.17 1.63 -1.00 0.00 0.00 179.01 178.55 3ife n LYS 327 N -4.51 0.61 0.10 2.33 4.76 -0.29 -4.01 118.16 117.16 3ife n LYS 327 Ca 0.00 0.17 -0.21 0.00 -2.87 0.00 0.00 58.31 55.40 3ife n LYS 327 Cb 0.12 -1.82 -0.12 0.00 -1.84 0.00 0.00 35.03 31.37 3ife n LYS 327 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3ife h ILE 328 N 0.00 1.33 -0.69 -0.18 1.08 -0.86 -3.38 117.51 114.82 3ife h ILE 328 Ca -0.07 -2.57 0.15 0.00 -0.39 0.00 0.00 64.86 61.98 3ife h ILE 328 Cb 1.24 2.74 -0.11 0.00 -3.07 0.00 0.00 36.82 37.62 3ife h ILE 328 CO 0.02 0.78 0.09 -0.33 -0.69 0.00 0.00 178.15 178.01 3ife h GLU 329 N 0.23 0.18 0.00 2.37 5.08 -1.20 0.17 114.58 121.41 3ife h GLU 329 Ca -0.18 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3ife h GLU 329 Cb 1.92 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.13 3ife h GLU 329 CO 0.23 0.12 -0.01 -1.35 -1.00 0.00 0.00 179.01 177.00 3ife h PRO 330 N 0.19 0.00 -0.49 2.33 0.11 -1.77 -2.74 132.00 129.63 3ife h PRO 330 Ca 0.38 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.13 3ife h PRO 330 Cb 0.64 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.40 3ife h PRO 330 CO -0.53 0.01 -0.85 1.33 -0.21 0.00 0.00 178.00 177.74 3ife n VAL 331 N -3.15 1.98 0.25 3.15 0.24 -0.14 -4.91 118.33 115.75 3ife n VAL 331 Ca -0.02 -3.49 0.18 0.00 -2.04 0.00 0.00 64.34 58.97 3ife n VAL 331 Cb 0.17 -0.24 0.83 0.00 -1.47 0.00 0.00 33.84 33.14 3ife n VAL 331 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3ife h ARG 332 N 1.99 0.00 -0.02 7.34 0.11 -0.43 -0.81 114.38 122.56 3ife h ARG 332 Ca 0.14 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.22 3ife h ARG 332 Cb 1.41 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.49 3ife h ARG 332 CO 0.44 0.00 0.04 1.05 0.10 0.00 0.00 179.97 181.60 3ife h GLU 333 N 0.00 0.00 0.00 0.08 9.09 -1.88 -1.03 114.58 120.83 3ife h GLU 333 Ca 0.07 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.40 3ife h GLU 333 Cb 0.70 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.79 3ife h GLU 333 CO -0.00 0.00 -0.37 -0.84 0.05 0.00 0.00 179.01 177.84 3ife h ILE 334 N 0.00 1.26 0.08 -1.06 3.07 -1.49 0.10 117.51 119.47 3ife h ILE 334 Ca 0.01 -1.29 -0.22 0.00 1.55 0.00 0.00 64.86 64.91 3ife h ILE 334 Cb 0.08 1.70 0.02 0.00 -0.27 0.00 0.00 36.82 38.35 3ife h ILE 334 CO -0.00 0.37 -0.91 0.58 -1.05 0.00 0.00 178.15 177.13 3ife h VAL 335 N 0.00 1.38 -0.69 0.16 2.07 -1.41 -3.10 116.25 114.67 3ife h VAL 335 Ca -0.00 -2.33 0.05 0.00 0.82 0.00 0.00 66.70 65.24 3ife h VAL 335 Cb 0.67 2.76 -0.05 0.00 -1.52 0.00 0.00 31.29 33.14 3ife h VAL 335 CO 0.05 0.69 0.40 0.44 0.02 0.00 0.00 177.57 179.17 3ife h ASP 336 N 0.00 0.61 -0.68 0.57 3.32 -1.06 -0.53 116.42 118.66 3ife h ASP 336 Ca -0.14 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 3ife h ASP 336 Cb 1.64 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 41.06 3ife h ASP 336 CO 0.18 0.40 0.36 0.40 -1.72 0.00 0.00 179.24 178.85 3ife h ILE 337 N 0.74 1.22 -0.60 0.35 2.04 -0.90 0.12 117.51 120.47 3ife h ILE 337 Ca 0.30 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3ife h ILE 337 Cb 0.16 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3ife h ILE 337 CO -0.17 0.24 0.18 0.00 0.00 0.00 0.00 178.15 178.41 3ife h ALA 338 N 1.17 0.79 -0.08 1.87 0.00 -1.36 0.83 119.26 122.48 3ife h ALA 338 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ife h ALA 338 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ife h ALA 338 CO -0.04 0.46 0.03 -0.92 0.00 0.00 0.00 179.25 178.79 3ife h TYR 339 N 0.86 0.13 -0.87 0.00 3.20 -0.67 -1.80 116.97 117.82 3ife h TYR 339 Ca 0.19 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3ife h TYR 339 Cb 0.30 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3ife h TYR 339 CO 0.02 0.26 0.52 0.93 -1.64 0.00 0.00 178.16 178.24 3ife h GLU 340 N -0.03 1.19 -0.17 1.82 5.08 -0.67 -1.04 114.58 120.76 3ife h GLU 340 Ca 0.03 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ife h GLU 340 Cb 0.18 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ife h GLU 340 CO -0.00 0.84 0.10 0.00 -1.00 0.00 0.00 179.01 178.95 3ife h ALA 341 N 1.37 0.22 -0.10 3.43 0.00 -0.56 -1.10 119.26 122.50 3ife h ALA 341 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ife h ALA 341 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ife h ALA 341 CO -0.06 -0.28 0.07 0.52 0.00 0.00 0.00 179.25 179.50 3ife h MET 342 N 0.20 0.14 -0.74 0.00 2.86 -0.88 -2.77 114.93 113.74 3ife h MET 342 Ca 0.06 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3ife h MET 342 Cb 0.02 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 3ife h MET 342 CO -0.01 0.11 0.49 -0.22 1.06 0.00 0.00 176.91 178.34 3ife h LYS 343 N 0.12 0.89 0.00 1.72 1.63 -1.07 -0.83 116.57 119.03 3ife h LYS 343 Ca 0.04 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 3ife h LYS 343 Cb 0.01 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.43 3ife h LYS 343 CO -0.01 0.59 -0.07 0.66 -3.45 0.00 0.00 179.45 177.17 3ife h SER 344 N 0.91 0.00 -0.57 4.20 4.64 -0.93 -1.68 113.55 120.12 3ife h SER 344 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3ife h SER 344 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3ife h SER 344 CO -0.08 0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.13 3ife n LEU 345 N -3.32 4.91 -3.46 5.97 4.77 -0.55 -4.95 117.00 120.37 3ife n LEU 345 Ca -0.01 -2.64 -0.25 0.00 -0.03 0.00 0.00 56.01 53.08 3ife n LEU 345 Cb 0.25 -0.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.78 3ife n LEU 345 CO 0.27 0.74 0.10 0.59 -1.33 0.00 0.00 177.39 177.76 3ife n ASN 346 N 0.78 -5.59 -4.54 -1.43 3.02 -0.63 -4.99 115.26 101.87 3ife n ASN 346 Ca 0.25 -0.50 -0.34 0.00 -0.03 0.00 0.00 54.58 53.97 3ife n ASN 346 Cb 0.97 -4.47 -0.11 0.00 -0.61 0.00 0.00 39.78 35.55 3ife n ASN 346 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ife s ILE 347 N -3.22 4.13 -0.45 2.41 1.01 -0.43 -5.02 121.20 119.64 3ife s ILE 347 Ca 0.49 -0.28 -0.25 0.00 0.00 0.00 0.00 60.65 60.62 3ife s ILE 347 Cb -0.23 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.45 3ife s ILE 347 CO 0.61 0.50 0.91 -0.70 0.00 0.00 0.00 174.94 176.25 3ife s GLU 348 N 0.26 3.55 0.46 2.79 2.56 -1.26 -3.57 118.70 123.49 3ife s GLU 348 Ca -0.01 0.17 -0.24 0.00 0.00 0.00 0.00 54.97 54.89 3ife s GLU 348 Cb -0.13 -3.92 -0.07 0.00 2.00 0.00 0.00 34.13 32.01 3ife s GLU 348 CO 0.02 -1.18 1.28 -2.14 -0.56 0.00 0.00 175.26 172.68 3ife s PRO 349 N 3.67 3.67 -0.31 4.30 0.02 -1.26 -4.51 135.00 140.58 3ife s PRO 349 Ca 0.36 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.47 3ife s PRO 349 Cb -0.10 -2.51 0.09 0.00 0.02 0.00 0.00 34.50 31.99 3ife s PRO 349 CO 0.25 -0.71 0.04 -0.80 -0.33 0.00 0.00 177.00 175.45 3ife s ASN 350 N -0.98 4.37 -0.36 2.53 0.01 0.05 -4.99 114.94 115.58 3ife s ASN 350 Ca 0.63 -1.80 -0.25 0.00 -0.71 0.00 0.00 52.86 50.73 3ife s ASN 350 Cb -0.36 -1.32 0.01 0.00 0.41 0.00 0.00 41.25 40.00 3ife s ASN 350 CO 0.44 -0.36 0.90 -0.63 -1.51 0.00 0.00 177.10 175.94 3ife s ILE 351 N 1.21 4.63 -0.36 0.60 1.01 -1.26 -1.76 121.20 125.26 3ife s ILE 351 Ca 0.07 1.18 -0.08 0.00 0.00 0.00 0.00 60.65 61.82 3ife s ILE 351 Cb -0.18 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 38.03 3ife s ILE 351 CO -0.13 -0.48 0.16 -1.00 0.00 0.00 0.00 174.94 173.48 3ife s HIS 352 N 3.37 3.27 0.42 3.97 3.76 -0.88 -4.99 115.29 124.21 3ife s HIS 352 Ca 0.37 -1.33 -0.26 0.00 -0.15 0.00 0.00 55.06 53.69 3ife s HIS 352 Cb -0.12 -2.43 -0.09 0.00 1.11 0.00 0.00 32.58 31.05 3ife s HIS 352 CO 0.17 -0.73 1.46 -2.14 -0.85 0.00 0.00 174.74 172.65 3ife s PRO 353 N 1.44 3.87 -0.62 8.40 0.02 -1.26 -4.56 135.00 142.30 3ife s PRO 353 Ca 0.00 2.50 -0.21 0.00 0.02 0.00 0.00 61.00 63.30 3ife s PRO 353 Cb -0.20 -2.79 0.08 0.00 0.02 0.00 0.00 34.50 31.60 3ife s PRO 353 CO 0.04 -0.70 0.85 0.42 -0.33 0.00 0.00 177.00 177.28 3ife s ILE 354 N -1.16 4.53 -1.47 2.83 1.01 0.04 -4.93 121.20 122.04 3ife s ILE 354 Ca 0.57 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 3ife s ILE 354 Cb -0.45 -4.58 0.02 0.00 0.01 0.00 0.00 42.46 37.46 3ife s ILE 354 CO 0.60 -1.27 2.53 0.54 0.00 0.00 0.00 174.94 177.34 3ife n ARG 355 N 7.14 3.77 0.00 2.79 1.74 -1.26 -2.38 116.66 128.46 3ife n ARG 355 Ca -0.05 -2.78 0.00 0.00 -0.77 0.00 0.00 57.85 54.25 3ife n ARG 355 Cb 0.45 -2.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 3ife n ARG 355 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ife n GLY 356 N 3.09 -0.57 3.13 -0.13 0.00 -1.26 -4.95 105.19 104.50 3ife n GLY 356 Ca 0.64 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 3ife n GLY 356 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ife s GLY 357 N 0.00 0.74 0.28 -0.02 0.00 -1.26 -2.91 107.32 104.15 3ife s GLY 357 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.82 3ife s GLY 357 CO 0.00 -0.96 0.15 -0.51 0.00 0.00 0.00 173.10 171.78 3ife s THR 358 N -1.31 0.31 0.26 0.90 -4.23 -1.26 -5.02 115.64 105.29 3ife s THR 358 Ca -0.05 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.41 3ife s THR 358 Cb -0.10 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.46 3ife s THR 358 CO 0.02 0.00 1.93 0.44 -0.54 0.00 0.00 174.62 176.47 3ife h ASP 359 N 2.32 1.09 -0.74 3.99 5.19 -1.99 -1.43 116.42 124.85 3ife h ASP 359 Ca -0.35 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.00 3ife h ASP 359 Cb 1.25 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.45 3ife h ASP 359 CO 0.53 0.80 0.37 1.23 -3.12 0.00 0.00 179.24 179.05 3ife h GLY 360 N 1.29 1.14 1.49 2.75 0.00 -1.96 0.83 103.07 108.60 3ife h GLY 360 Ca 0.34 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 3ife h GLY 360 CO -0.07 0.53 -0.41 1.48 0.00 0.00 0.00 176.54 178.07 3ife h SER 361 N 1.04 0.60 -0.22 0.19 4.64 -1.71 -1.58 113.55 116.52 3ife h SER 361 Ca 0.26 -0.27 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3ife h SER 361 Cb 0.10 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3ife h SER 361 CO -0.03 0.94 -0.43 -0.61 -0.87 0.00 0.00 176.83 175.82 3ife h GLN 362 N 0.46 0.67 -0.63 4.77 5.75 -0.93 -3.05 115.11 122.16 3ife h GLN 362 Ca 0.04 -0.44 0.02 0.00 -0.15 0.00 0.00 58.65 58.13 3ife h GLN 362 Cb 0.91 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.48 3ife h GLN 362 CO 0.08 1.05 0.42 -0.07 -2.65 0.00 0.00 178.83 177.66 3ife h LEU 363 N 0.38 0.67 -0.63 -2.39 3.38 -0.79 -2.01 115.31 113.92 3ife h LEU 363 Ca 0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ife h LEU 363 Cb 1.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3ife h LEU 363 CO 0.10 0.47 0.41 0.28 0.09 0.00 0.00 178.44 179.78 3ife h SER 364 N 0.78 0.70 0.85 -0.43 0.02 -1.07 -1.13 113.55 113.27 3ife h SER 364 Ca 0.24 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3ife h SER 364 Cb 0.02 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3ife h SER 364 CO -0.06 0.50 0.00 -1.22 -1.14 0.00 0.00 176.83 174.91 3ife n TYR 365 N -4.67 0.29 1.44 3.45 4.01 -0.82 -2.25 117.16 118.62 3ife n TYR 365 Ca 0.05 0.10 0.13 0.00 -0.16 0.00 0.00 57.90 58.02 3ife n TYR 365 Cb 0.04 -0.66 0.49 0.00 -0.31 0.00 0.00 39.34 38.90 3ife n TYR 365 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3ife n MET 366 N -1.75 1.64 0.00 -0.72 2.81 -0.57 -4.93 117.12 113.60 3ife n MET 366 Ca 0.05 -0.94 0.00 0.00 -1.81 0.00 0.00 57.70 55.00 3ife n MET 366 Cb 0.27 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 3ife n MET 366 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ife n GLY 367 N 1.14 1.14 2.69 3.03 0.00 -0.95 -4.99 105.19 107.25 3ife n GLY 367 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3ife n GLY 367 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ife s LEU 368 N 0.00 3.15 0.01 0.99 2.96 -0.53 -4.92 118.68 120.33 3ife s LEU 368 Ca 0.00 -3.25 -0.34 0.00 -0.22 0.00 0.00 54.13 50.32 3ife s LEU 368 Cb 0.00 -1.09 -0.13 0.00 0.50 0.00 0.00 46.19 45.47 3ife s LEU 368 CO 0.00 -0.17 1.76 -2.65 -1.32 0.00 0.00 176.35 173.97 3ife n PRO 369 N 2.71 2.15 -3.48 0.98 -0.02 -1.26 -2.70 135.00 133.38 3ife n PRO 369 Ca 0.19 0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 62.18 3ife n PRO 369 Cb 0.39 -2.60 -0.13 0.00 -0.02 0.00 0.00 33.50 31.14 3ife n PRO 369 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ife s THR 370 N 2.84 0.01 0.79 3.45 2.01 -1.26 -1.55 115.64 121.93 3ife s THR 370 Ca 0.87 -1.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 3ife s THR 370 Cb -0.69 -1.03 0.07 0.00 0.01 0.00 0.00 72.50 70.86 3ife s THR 370 CO 0.46 -0.85 1.12 -2.84 -0.69 0.00 0.00 174.62 171.82 3ife s PRO 371 N 1.55 2.01 -0.15 4.92 0.02 -1.22 -4.49 135.00 137.64 3ife s PRO 371 Ca 0.14 1.33 -0.02 0.00 0.02 0.00 0.00 61.00 62.47 3ife s PRO 371 Cb -0.20 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 3ife s PRO 371 CO -0.15 -1.85 -0.08 1.21 -0.33 0.00 0.00 177.00 175.80 3ife s ASN 372 N -3.02 4.42 0.04 2.53 2.47 0.06 -0.82 114.94 120.61 3ife s ASN 372 Ca 0.64 -0.24 0.04 0.00 0.42 0.00 0.00 52.86 53.73 3ife s ASN 372 Cb -0.20 -1.71 -0.04 0.00 -1.45 0.00 0.00 41.25 37.86 3ife s ASN 372 CO 0.54 0.15 -0.06 -0.63 -3.72 0.00 0.00 177.10 173.38 3ife s ILE 373 N 0.47 3.67 0.79 -5.21 1.01 1.00 -1.11 121.20 121.82 3ife s ILE 373 Ca -0.06 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 3ife s ILE 373 Cb -0.15 -2.64 0.04 0.00 0.01 0.00 0.00 42.46 39.72 3ife s ILE 373 CO 0.04 0.30 0.95 2.22 0.00 0.00 0.00 174.94 178.45 3ife n PHE 374 N 1.24 0.50 0.00 3.97 1.16 -0.61 -0.86 117.46 122.87 3ife n PHE 374 Ca -0.14 0.38 0.00 0.00 -1.87 0.00 0.00 57.45 55.81 3ife n PHE 374 Cb 0.52 -2.04 0.00 0.00 -1.61 0.00 0.00 39.48 36.36 3ife n PHE 374 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3ife n THR 375 N -2.99 0.00 0.00 1.97 -2.24 -0.32 -4.68 114.28 106.03 3ife n THR 375 Ca 0.12 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3ife n THR 375 Cb 0.50 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3ife n THR 375 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ife n GLY 376 N 1.60 0.57 3.84 3.38 0.00 0.08 -4.06 105.19 110.60 3ife n GLY 376 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ife n GLY 376 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ife s GLY 377 N -0.98 2.42 0.11 -0.02 0.00 -1.24 -2.38 107.32 105.24 3ife s GLY 377 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.85 3ife s GLY 377 CO 0.00 0.35 -0.10 -0.54 0.00 0.00 0.00 173.10 172.81 3ife s GLU 378 N -2.67 0.91 -1.41 2.90 0.41 0.13 -3.03 118.70 115.93 3ife s GLU 378 Ca 0.51 -1.25 -0.06 0.00 -0.41 0.00 0.00 54.97 53.76 3ife s GLU 378 Cb -0.12 -0.54 0.04 0.00 -1.78 0.00 0.00 34.13 31.73 3ife s GLU 378 CO 0.18 0.07 0.82 0.09 -0.49 0.00 0.00 175.26 175.93 3ife n ASN 379 N 0.31 -2.75 -4.70 -0.19 3.02 -1.26 -2.03 115.26 107.66 3ife n ASN 379 Ca -0.14 -0.81 -0.32 0.00 -0.03 0.00 0.00 54.58 53.29 3ife n ASN 379 Cb 0.59 -3.96 0.14 0.00 -0.61 0.00 0.00 39.78 35.94 3ife n ASN 379 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3ife s TYR 380 N -3.52 1.86 -0.22 3.10 2.02 -1.26 -3.21 117.35 116.11 3ife s TYR 380 Ca 0.29 1.72 0.00 0.00 -0.37 0.00 0.00 57.07 58.71 3ife s TYR 380 Cb -0.15 -3.32 0.00 0.00 -0.40 0.00 0.00 41.96 38.09 3ife s TYR 380 CO 0.82 -2.61 0.00 0.72 -1.57 0.00 0.00 175.55 172.91 3ife n HIS 381 N -3.82 0.00 -4.08 2.71 8.25 -1.26 -4.94 115.22 112.08 3ife n HIS 381 Ca 0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.44 3ife n HIS 381 Cb 0.52 -0.92 -0.04 0.00 1.12 0.00 0.00 29.99 30.67 3ife n HIS 381 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3ife s GLY 382 N -2.28 1.38 0.37 -1.41 0.00 -1.25 -4.31 107.32 99.82 3ife s GLY 382 Ca 0.00 -1.45 0.27 0.00 0.00 0.00 0.00 44.72 43.55 3ife s GLY 382 CO 0.00 -0.96 1.82 0.07 0.00 0.00 0.00 173.10 174.03 3ife h LYS 383 N 2.13 0.00 -0.65 2.90 2.10 -1.88 -2.61 116.57 118.56 3ife h LYS 383 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3ife h LYS 383 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3ife h LYS 383 CO 0.39 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 179.03 3ife n PHE 384 N -2.51 1.22 -1.94 0.07 3.72 -1.26 -4.40 117.46 112.36 3ife n PHE 384 Ca 0.01 -0.51 -0.41 0.00 -0.05 0.00 0.00 57.45 56.49 3ife n PHE 384 Cb 0.20 -0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 3ife n PHE 384 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3ife s GLU 385 N -1.63 4.22 0.21 -1.08 2.12 -0.98 -4.71 118.70 116.85 3ife s GLU 385 Ca 0.45 2.41 -0.12 0.00 0.36 0.00 0.00 54.97 58.07 3ife s GLU 385 Cb 0.28 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.64 3ife s GLU 385 CO 0.24 -0.40 0.42 1.52 -0.54 0.00 0.00 175.26 176.50 3ife s TYR 386 N -0.85 0.27 -0.05 5.30 -0.85 -0.86 -3.94 117.35 116.37 3ife s TYR 386 Ca 0.53 -0.62 -0.09 0.00 -0.52 0.00 0.00 57.07 56.37 3ife s TYR 386 Cb -0.44 0.15 0.02 0.00 0.38 0.00 0.00 41.96 42.07 3ife s TYR 386 CO 0.55 -0.88 0.23 0.54 -1.52 0.00 0.00 175.55 174.47 3ife s VAL 387 N -3.97 0.04 -0.25 -3.49 0.11 -0.66 -0.70 120.40 111.48 3ife s VAL 387 Ca 0.18 -0.29 -0.16 0.00 -2.93 0.00 0.00 61.98 58.77 3ife s VAL 387 Cb 0.01 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 3ife s VAL 387 CO 0.03 -0.16 0.44 -0.55 -3.33 0.00 0.00 175.10 171.53 3ife s SER 388 N -0.59 6.36 0.33 3.54 0.15 -1.00 -1.00 113.70 121.49 3ife s SER 388 Ca -0.07 0.43 0.08 0.00 0.70 0.00 0.00 55.95 57.09 3ife s SER 388 Cb -0.04 -2.24 0.59 0.00 -1.71 0.00 0.00 66.02 62.62 3ife s SER 388 CO 0.01 -0.21 1.79 0.58 1.20 0.00 0.00 173.24 176.61 3ife h VAL 389 N 5.33 1.26 -0.74 4.45 2.07 -1.24 -0.93 116.25 126.46 3ife h VAL 389 Ca -0.31 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 65.98 3ife h VAL 389 Cb 1.15 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 3ife h VAL 389 CO 0.69 0.37 0.48 0.44 0.02 0.00 0.00 177.57 179.57 3ife h ASP 390 N 0.19 0.83 0.16 0.57 5.19 -1.93 -1.21 116.42 120.23 3ife h ASP 390 Ca 0.03 -0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.26 3ife h ASP 390 Cb 0.64 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 3ife h ASP 390 CO 0.05 0.60 -0.60 0.58 -3.12 0.00 0.00 179.24 176.74 3ife h VAL 391 N 0.98 1.35 -1.00 -1.35 2.07 -1.78 -2.65 116.25 113.87 3ife h VAL 391 Ca 0.27 -1.92 0.05 0.00 0.82 0.00 0.00 66.70 65.93 3ife h VAL 391 Cb -0.09 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 3ife h VAL 391 CO -0.07 0.58 0.65 0.24 0.02 0.00 0.00 177.57 179.00 3ife h MET 392 N 0.33 1.18 -0.53 1.57 2.86 -0.61 -0.41 114.93 119.31 3ife h MET 392 Ca -0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3ife h MET 392 Cb 1.14 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 3ife h MET 392 CO 0.11 0.78 0.29 0.93 1.06 0.00 0.00 176.91 180.07 3ife h GLU 393 N 1.22 0.75 -0.85 1.72 5.08 -0.98 -1.56 114.58 119.95 3ife h GLU 393 Ca 0.42 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3ife h GLU 393 Cb 0.09 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3ife h GLU 393 CO -0.15 0.59 0.53 0.87 -1.00 0.00 0.00 179.01 179.84 3ife h LYS 394 N 0.71 1.15 -0.59 2.33 1.79 -0.98 -1.02 116.57 119.96 3ife h LYS 394 Ca 0.19 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 3ife h LYS 394 Cb 0.06 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.44 3ife h LYS 394 CO -0.03 0.80 0.31 0.00 -1.08 0.00 0.00 179.45 179.45 3ife h ALA 395 N 1.41 0.76 -0.44 3.86 0.00 -0.53 -1.11 119.26 123.19 3ife h ALA 395 Ca 0.31 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3ife h ALA 395 Cb -0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3ife h ALA 395 CO -0.06 0.30 0.24 0.28 0.00 0.00 0.00 179.25 180.01 3ife h VAL 396 N 0.81 0.99 -0.80 0.00 2.07 -0.69 -1.68 116.25 116.94 3ife h VAL 396 Ca 0.21 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3ife h VAL 396 Cb 0.08 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3ife h VAL 396 CO -0.03 0.09 0.53 1.56 0.02 0.00 0.00 177.57 179.74 3ife h GLN 397 N 0.47 1.01 -0.49 1.57 4.20 -0.80 -1.92 115.11 119.14 3ife h GLN 397 Ca 0.19 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 3ife h GLN 397 Cb 0.07 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3ife h GLN 397 CO -0.12 0.67 0.12 0.28 -0.67 0.00 0.00 178.83 179.12 3ife h VAL 398 N 1.04 1.24 -0.23 -0.54 2.07 -0.68 -0.54 116.25 118.62 3ife h VAL 398 Ca 0.31 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3ife h VAL 398 Cb -0.05 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3ife h VAL 398 CO -0.08 0.30 0.12 0.40 0.02 0.00 0.00 177.57 178.33 3ife h ILE 399 N 0.67 1.01 -0.34 4.57 2.04 -0.69 -0.09 117.51 124.67 3ife h ILE 399 Ca 0.15 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3ife h ILE 399 Cb 0.32 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3ife h ILE 399 CO 0.00 0.05 0.21 0.40 0.00 0.00 0.00 178.15 178.81 3ife h ILE 400 N 0.26 1.06 -0.75 -0.67 2.04 -1.21 -1.35 117.51 116.88 3ife h ILE 400 Ca 0.09 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3ife h ILE 400 Cb 0.01 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3ife h ILE 400 CO -0.05 0.08 0.33 -0.33 0.00 0.00 0.00 178.15 178.17 3ife h GLU 401 N 0.43 1.10 -0.19 2.37 4.39 -0.82 -0.77 114.58 121.09 3ife h GLU 401 Ca 0.13 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3ife h GLU 401 Cb -0.02 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 3ife h GLU 401 CO -0.05 0.88 0.11 0.82 -1.16 0.00 0.00 179.01 179.61 3ife h ILE 402 N 1.06 1.08 -0.73 3.13 2.04 -0.75 0.13 117.51 123.48 3ife h ILE 402 Ca 0.25 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3ife h ILE 402 Cb 0.17 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3ife h ILE 402 CO -0.03 0.08 0.47 0.00 0.00 0.00 0.00 178.15 178.67 3ife h ALA 403 N 1.02 0.95 -0.24 1.87 0.00 -0.98 -2.06 119.26 119.82 3ife h ALA 403 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ife h ALA 403 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ife h ALA 403 CO -0.01 0.28 0.13 -0.09 0.00 0.00 0.00 179.25 179.55 3ife h ARG 404 N 0.93 0.34 -0.56 0.00 2.43 -0.83 -3.06 114.38 113.62 3ife h ARG 404 Ca 0.29 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.30 3ife h ARG 404 Cb -0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3ife h ARG 404 CO -0.10 0.31 -0.09 0.00 -1.51 0.00 0.00 179.97 178.58 3ife h ARG 405 N 0.28 1.05 -1.00 0.20 3.08 -0.47 -1.85 114.38 115.67 3ife h ARG 405 Ca 0.08 -0.38 0.08 0.00 0.07 0.00 0.00 59.98 59.83 3ife h ARG 405 Cb 0.07 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3ife h ARG 405 CO -0.01 1.08 0.64 0.74 -1.07 0.00 0.00 179.97 181.35 3ife h PHE 406 N 0.94 1.18 -0.19 3.04 0.04 -1.31 0.53 116.94 121.17 3ife h PHE 406 Ca 0.15 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.81 3ife h PHE 406 Cb 0.66 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3ife h PHE 406 CO 0.05 0.58 -0.43 1.49 -0.60 0.00 0.00 178.31 179.40 3ife h GLU 407 N 1.13 0.63 -0.76 1.51 4.22 -1.42 -2.50 114.58 117.39 3ife h GLU 407 Ca 0.44 -0.42 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 3ife h GLU 407 Cb 0.23 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3ife h GLU 407 CO -0.19 1.04 0.45 1.49 -2.18 0.00 0.00 179.01 179.62 3ife h GLU 408 N 0.31 1.03 -0.00 1.92 4.57 -0.69 -2.70 114.58 119.03 3ife h GLU 408 Ca 0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3ife h GLU 408 Cb 1.03 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 3ife h GLU 408 CO 0.09 0.74 -0.03 1.04 -1.18 0.00 0.00 179.01 179.67 3ife n GLN 409 N -4.49 0.22 0.00 1.92 6.02 0.12 -5.10 117.38 116.08 3ife n GLN 409 Ca 0.07 -0.02 0.11 0.00 -0.01 0.00 0.00 57.00 57.15 3ife n GLN 409 Cb 0.06 -1.50 0.66 0.00 1.02 0.00 0.00 30.24 30.49 3ife n GLN 409 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05