#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g95 s ASN 3 N 0.00 2.92 0.33 6.43 0.01 -1.26 -1.39 114.94 121.99 1g95 s ASN 3 Ca 0.00 -0.47 0.08 0.00 -0.71 0.00 0.00 52.86 51.75 1g95 s ASN 3 Cb 0.00 -0.62 -0.07 0.00 0.41 0.00 0.00 41.25 40.98 1g95 s ASN 3 CO 0.00 0.26 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.44 1g95 s PHE 4 N -0.31 2.25 -0.14 2.20 0.08 0.41 -0.86 117.98 121.60 1g95 s PHE 4 Ca 0.01 -0.63 -0.12 0.00 0.12 0.00 0.00 56.93 56.32 1g95 s PHE 4 Cb -0.12 -1.36 0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1g95 s PHE 4 CO 0.02 0.42 0.37 0.00 -0.10 0.00 0.00 175.22 175.93 1g95 s ALA 5 N -2.81 -0.93 -0.13 5.36 0.00 -0.92 -1.46 121.76 120.86 1g95 s ALA 5 Ca 0.32 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.45 1g95 s ALA 5 Cb 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1g95 s ALA 5 CO 0.15 -0.20 -0.15 -1.50 0.00 0.00 0.00 175.76 174.06 1g95 s ILE 6 N 0.51 1.56 -0.28 0.00 2.07 0.00 -0.05 121.20 125.01 1g95 s ILE 6 Ca -0.03 -0.66 -0.08 0.00 -1.41 0.00 0.00 60.65 58.47 1g95 s ILE 6 Cb -0.04 -1.44 -0.02 0.00 0.13 0.00 0.00 42.46 41.09 1g95 s ILE 6 CO -0.03 0.46 0.11 -0.63 -1.91 0.00 0.00 174.94 172.94 1g95 s ILE 7 N 1.18 4.40 -0.21 2.00 1.01 0.82 -2.04 121.20 128.36 1g95 s ILE 7 Ca -0.02 -0.34 -0.25 0.00 0.00 0.00 0.00 60.65 60.04 1g95 s ILE 7 Cb -0.14 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1g95 s ILE 7 CO -0.05 0.19 0.84 -0.76 0.00 0.00 0.00 174.94 175.16 1g95 s LEU 8 N 1.60 4.12 -0.44 2.97 1.43 0.19 0.33 118.68 128.88 1g95 s LEU 8 Ca 0.05 1.11 0.07 0.00 -1.03 0.00 0.00 54.13 54.34 1g95 s LEU 8 Cb -0.16 -3.23 0.29 0.00 0.03 0.00 0.00 46.19 43.12 1g95 s LEU 8 CO 0.05 -0.48 0.90 0.00 0.23 0.00 0.00 176.35 177.05 1g95 n ALA 9 N 5.72 -0.06 0.00 4.21 0.00 -0.13 0.17 120.51 130.42 1g95 n ALA 9 Ca 0.06 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.46 1g95 n ALA 9 Cb 0.48 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1g95 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g95 n ALA 10 N 0.87 1.82 -1.64 0.00 0.00 -1.25 -3.76 120.51 116.55 1g95 n ALA 10 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 1g95 n ALA 10 Cb 0.65 0.12 0.06 0.00 0.00 0.00 0.00 19.45 20.29 1g95 n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g95 n GLY 11 N 2.47 0.03 0.14 0.00 0.00 -1.26 -3.61 105.19 102.96 1g95 n GLY 11 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1g95 n GLY 11 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1g95 h LYS 12 N 0.40 0.32 -3.13 1.61 3.64 -1.97 -3.37 116.57 114.07 1g95 h LYS 12 Ca -0.49 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.33 1g95 h LYS 12 Cb 1.35 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1g95 h LYS 12 CO 0.51 1.23 -0.02 0.41 -2.27 0.00 0.00 179.45 179.31 1g95 n GLY 13 N 1.87 -0.67 0.13 5.01 0.00 -1.26 -3.03 105.19 107.24 1g95 n GLY 13 Ca -0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 1g95 n GLY 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1g95 h THR 14 N 0.10 1.48 0.00 2.61 1.35 -1.91 -3.11 112.91 113.43 1g95 h THR 14 Ca 0.00 -2.44 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 1g95 h THR 14 Cb 0.20 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1g95 h THR 14 CO 0.01 0.71 0.00 0.54 -0.25 0.00 0.00 175.52 176.53 1g95 n ARG 15 N -3.71 0.22 0.06 4.72 1.74 -1.26 -1.79 116.66 116.64 1g95 n ARG 15 Ca -0.02 0.14 -0.10 0.00 -0.77 0.00 0.00 57.85 57.10 1g95 n ARG 15 Cb 0.74 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 1g95 n ARG 15 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1g95 h MET 16 N 0.00 0.07 -5.31 5.56 2.86 -1.61 -3.40 114.93 113.09 1g95 h MET 16 Ca 0.00 -0.12 -0.28 0.00 -2.06 0.00 0.00 59.70 57.24 1g95 h MET 16 Cb 0.16 0.04 0.16 0.00 0.06 0.00 0.00 31.60 32.03 1g95 h MET 16 CO 0.00 1.00 -0.72 1.63 1.06 0.00 0.00 176.91 179.87 1g95 n LYS 17 N -3.36 -5.03 -3.88 1.72 5.02 -0.74 -4.81 118.16 107.09 1g95 n LYS 17 Ca -0.04 0.78 -0.11 0.00 -2.02 0.00 0.00 58.31 56.92 1g95 n LYS 17 Cb 0.97 -5.55 -0.09 0.00 -0.02 0.00 0.00 35.03 30.34 1g95 n LYS 17 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1g95 s SER 18 N -4.01 0.06 0.00 4.39 0.15 -1.26 -5.04 113.70 107.99 1g95 s SER 18 Ca 0.11 -0.31 0.24 0.00 0.70 0.00 0.00 55.95 56.69 1g95 s SER 18 Cb -0.01 0.22 0.33 0.00 -1.71 0.00 0.00 66.02 64.85 1g95 s SER 18 CO 0.67 -0.44 1.29 0.47 1.20 0.00 0.00 173.24 176.43 1g95 n ASP 19 N 1.15 0.63 -4.76 5.45 8.00 -1.26 -4.89 116.55 120.87 1g95 n ASP 19 Ca -0.21 -0.44 -0.40 0.00 0.71 0.00 0.00 54.79 54.45 1g95 n ASP 19 Cb 0.57 0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 42.05 1g95 n ASP 19 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1g95 s LEU 20 N -3.00 4.58 0.20 0.64 2.96 -1.26 -4.96 118.68 117.84 1g95 s LEU 20 Ca 0.10 2.14 -0.33 0.00 -0.22 0.00 0.00 54.13 55.83 1g95 s LEU 20 Cb 0.17 -3.63 -0.13 0.00 0.50 0.00 0.00 46.19 43.10 1g95 s LEU 20 CO 0.74 -0.03 1.61 -2.65 -1.32 0.00 0.00 176.35 174.70 1g95 n PRO 21 N 1.29 2.39 -0.31 0.98 -0.02 -1.26 -4.87 135.00 133.20 1g95 n PRO 21 Ca -0.01 0.86 -0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1g95 n PRO 21 Cb 0.46 -2.64 0.06 0.00 -0.02 0.00 0.00 33.50 31.35 1g95 n PRO 21 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1g95 h LYS 22 N 5.88 -0.04 0.00 -0.52 3.64 -1.70 -0.13 116.57 123.69 1g95 h LYS 22 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1g95 h LYS 22 Cb 1.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1g95 h LYS 22 CO 0.89 -0.03 0.00 -0.39 -2.27 0.00 0.00 179.45 177.65 1g95 h VAL 23 N -0.04 0.00 0.00 2.00 -1.51 -1.86 -2.21 116.25 112.62 1g95 h VAL 23 Ca 0.34 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 1g95 h VAL 23 Cb 0.60 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 1g95 h VAL 23 CO -0.88 0.00 -0.35 0.18 -1.23 0.00 0.00 177.57 175.29 1g95 n LEU 24 N -2.54 0.36 -4.77 4.19 4.77 -0.06 -1.18 117.00 117.76 1g95 n LEU 24 Ca -0.02 0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.72 1g95 n LEU 24 Cb 0.06 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1g95 n LEU 24 CO 0.14 0.08 1.17 -1.00 -1.33 0.00 0.00 177.39 176.44 1g95 s HIS 25 N -3.01 2.61 0.36 -1.77 3.76 -0.83 -4.51 115.29 111.89 1g95 s HIS 25 Ca 0.12 1.07 -0.11 0.00 -0.15 0.00 0.00 55.06 55.98 1g95 s HIS 25 Cb 0.18 -4.04 -0.07 0.00 1.11 0.00 0.00 32.58 29.75 1g95 s HIS 25 CO 0.65 -3.17 0.73 0.15 -0.85 0.00 0.00 174.74 172.25 1g95 s LYS 26 N -1.73 3.84 -0.14 1.40 1.02 -1.26 -1.60 119.74 121.27 1g95 s LYS 26 Ca 0.55 0.49 -0.04 0.00 0.02 0.00 0.00 55.97 56.99 1g95 s LYS 26 Cb -0.47 -2.44 0.07 0.00 -0.52 0.00 0.00 37.83 34.47 1g95 s LYS 26 CO 0.60 0.07 0.17 0.08 -0.92 0.00 0.00 175.35 175.35 1g95 s VAL 27 N -2.18 -0.26 -1.50 3.17 1.01 -0.00 -4.88 120.40 115.75 1g95 s VAL 27 Ca 0.51 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 1g95 s VAL 27 Cb -0.10 -0.48 0.07 0.00 0.00 0.00 0.00 36.38 35.86 1g95 s VAL 27 CO 0.26 -0.05 1.02 0.00 0.00 0.00 0.00 175.10 176.33 1g95 n ALA 28 N 5.32 -1.30 0.00 5.51 0.00 -1.26 -3.28 120.51 125.50 1g95 n ALA 28 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1g95 n ALA 28 Cb 0.50 -4.68 0.00 0.00 0.00 0.00 0.00 19.45 15.27 1g95 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g95 n GLY 29 N -1.75 3.16 3.66 0.00 0.00 -1.26 0.23 105.19 109.23 1g95 n GLY 29 Ca 0.03 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 1g95 n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1g95 s ILE 30 N -0.12 2.89 0.86 -0.61 -4.36 -1.21 -5.00 121.20 113.65 1g95 s ILE 30 Ca 0.00 -1.88 -0.10 0.00 -0.26 0.00 0.00 60.65 58.41 1g95 s ILE 30 Cb 0.00 -2.85 0.11 0.00 1.25 0.00 0.00 42.46 40.97 1g95 s ILE 30 CO 0.00 -0.23 1.12 -0.94 0.24 0.00 0.00 174.94 175.13 1g95 s SER 31 N -3.75 3.53 0.22 4.36 1.04 -1.26 -0.82 113.70 117.02 1g95 s SER 31 Ca 0.35 2.02 -0.08 0.00 0.48 0.00 0.00 55.95 58.71 1g95 s SER 31 Cb -0.02 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.75 1g95 s SER 31 CO 0.20 -2.69 1.85 0.24 0.98 0.00 0.00 173.24 173.83 1g95 h MET 32 N -1.58 1.14 -0.91 4.02 0.00 -0.54 -2.22 114.93 114.85 1g95 h MET 32 Ca -0.44 -0.12 0.11 0.00 0.00 0.00 0.00 59.70 59.26 1g95 h MET 32 Cb 1.25 -0.23 -0.08 0.00 0.00 0.00 0.00 31.60 32.54 1g95 h MET 32 CO 0.46 0.82 0.54 1.25 0.00 0.00 0.00 176.91 179.98 1g95 h LEU 33 N 1.15 0.77 -0.83 1.22 5.85 -1.19 -1.90 115.31 120.38 1g95 h LEU 33 Ca 0.30 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 1g95 h LEU 33 Cb -0.01 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1g95 h LEU 33 CO -0.05 0.41 0.00 -0.33 -0.34 0.00 0.00 178.44 178.13 1g95 h GLU 34 N 0.86 0.88 -0.70 1.25 5.08 -1.68 -0.84 114.58 119.42 1g95 h GLU 34 Ca 0.45 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1g95 h GLU 34 Cb 0.45 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1g95 h GLU 34 CO -0.27 0.87 0.23 0.45 -1.00 0.00 0.00 179.01 179.30 1g95 h HIS 35 N 0.81 1.12 0.29 4.33 3.86 -1.16 -1.61 115.15 122.78 1g95 h HIS 35 Ca 0.15 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1g95 h HIS 35 Cb 0.48 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1g95 h HIS 35 CO 0.03 0.89 -0.14 0.28 0.86 0.00 0.00 177.93 179.85 1g95 h VAL 36 N 1.02 0.75 -0.92 2.45 2.07 -1.08 -2.57 116.25 117.98 1g95 h VAL 36 Ca 0.23 -0.28 0.15 0.00 0.82 0.00 0.00 66.70 67.62 1g95 h VAL 36 Cb 0.28 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1g95 h VAL 36 CO -0.01 0.06 0.59 0.15 0.02 0.00 0.00 177.57 178.38 1g95 h PHE 37 N -0.53 0.87 -0.48 1.57 3.57 -1.03 -1.18 116.94 119.73 1g95 h PHE 37 Ca -0.04 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1g95 h PHE 37 Cb 0.39 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1g95 h PHE 37 CO -0.02 0.31 -0.12 0.00 -2.23 0.00 0.00 178.31 176.25 1g95 h ARG 38 N 0.72 0.88 -0.16 1.11 3.08 -1.10 -2.73 114.38 116.19 1g95 h ARG 38 Ca 0.47 -0.32 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 1g95 h ARG 38 Cb 0.73 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1g95 h ARG 38 CO -0.23 0.96 -0.41 0.77 -1.07 0.00 0.00 179.97 180.00 1g95 h SER 39 N 0.79 0.38 -0.31 7.04 0.02 -0.84 -3.20 113.55 117.43 1g95 h SER 39 Ca 0.13 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1g95 h SER 39 Cb 0.65 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1g95 h SER 39 CO 0.05 0.75 0.15 0.58 -1.14 0.00 0.00 176.83 177.21 1g95 h VAL 40 N 0.30 0.98 0.00 2.27 2.07 -1.04 -2.49 116.25 118.35 1g95 h VAL 40 Ca 0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1g95 h VAL 40 Cb 0.85 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1g95 h VAL 40 CO 0.07 0.06 0.03 0.61 0.02 0.00 0.00 177.57 178.35 1g95 n GLY 41 N -1.19 -0.42 0.23 2.17 0.00 -1.10 -1.62 105.19 103.25 1g95 n GLY 41 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1g95 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g95 h ALA 42 N 1.89 1.09 -0.68 4.61 0.00 -1.59 -1.93 119.26 122.65 1g95 h ALA 42 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1g95 h ALA 42 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1g95 h ALA 42 CO 0.00 0.28 0.00 0.44 0.00 0.00 0.00 179.25 179.97 1g95 n ILE 43 N -3.49 1.59 -3.40 0.00 -5.35 -0.64 -4.86 119.36 103.21 1g95 n ILE 43 Ca -0.00 -1.12 -0.19 0.00 -0.27 0.00 0.00 62.75 61.17 1g95 n ILE 43 Cb 0.39 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1g95 n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g95 n GLN 44 N 1.29 -1.14 -1.89 6.28 0.00 -0.73 -4.81 117.38 116.38 1g95 n GLN 44 Ca 0.26 0.57 -0.42 0.00 0.00 0.00 0.00 57.00 57.40 1g95 n GLN 44 Cb 0.82 -1.58 -0.03 0.00 0.00 0.00 0.00 30.24 29.45 1g95 n GLN 44 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1g95 s PRO 45 N -3.99 4.19 0.24 2.61 0.04 -1.26 -4.76 135.00 132.06 1g95 s PRO 45 Ca 0.02 2.39 -0.07 0.00 0.04 0.00 0.00 61.00 63.38 1g95 s PRO 45 Cb -0.00 -3.52 0.22 0.00 0.04 0.00 0.00 34.50 31.24 1g95 s PRO 45 CO 0.65 -0.74 1.90 1.49 0.04 0.00 0.00 177.00 180.34 1g95 h GLU 46 N 8.11 1.23 -3.68 4.56 4.81 -1.31 -3.42 114.58 124.88 1g95 h GLU 46 Ca -0.43 -0.09 -0.22 0.00 -0.13 0.00 0.00 59.36 58.49 1g95 h GLU 46 Cb 1.20 -0.27 -0.27 0.00 0.63 0.00 0.00 28.75 30.04 1g95 h GLU 46 CO 0.93 0.84 -0.69 0.15 -0.73 0.00 0.00 179.01 179.51 1g95 s LYS 47 N -6.06 0.05 -0.09 1.92 1.02 -1.26 -5.10 119.74 110.24 1g95 s LYS 47 Ca -0.13 -0.00 0.01 0.00 0.02 0.00 0.00 55.97 55.87 1g95 s LYS 47 Cb 0.17 0.02 0.02 0.00 -0.52 0.00 0.00 37.83 37.52 1g95 s LYS 47 CO 0.81 -0.01 -0.09 0.99 -0.92 0.00 0.00 175.35 176.13 1g95 s THR 48 N -0.08 1.02 -0.07 2.17 2.01 -1.26 -2.18 115.64 117.25 1g95 s THR 48 Ca -0.01 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.69 1g95 s THR 48 Cb -0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1g95 s THR 48 CO 0.00 0.35 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.36 1g95 s VAL 49 N 1.21 2.24 -0.22 3.82 1.01 0.93 -0.97 120.40 128.42 1g95 s VAL 49 Ca -0.05 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1g95 s VAL 49 Cb -0.14 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1g95 s VAL 49 CO -0.03 0.56 -0.13 -0.89 0.00 0.00 0.00 175.10 174.62 1g95 s THR 50 N -0.03 2.41 -0.09 3.92 2.01 0.10 -0.13 115.64 123.82 1g95 s THR 50 Ca -0.07 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 60.56 1g95 s THR 50 Cb -0.15 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1g95 s THR 50 CO 0.05 0.32 1.04 -0.69 -0.69 0.00 0.00 174.62 174.65 1g95 s VAL 51 N 1.27 4.69 0.45 3.82 1.01 0.15 -2.76 120.40 129.04 1g95 s VAL 51 Ca 0.01 1.97 0.04 0.00 0.00 0.00 0.00 61.98 63.99 1g95 s VAL 51 Cb -0.16 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1g95 s VAL 51 CO -0.08 0.01 0.02 0.68 0.00 0.00 0.00 175.10 175.73 1g95 s VAL 52 N 2.00 1.41 0.00 2.92 -7.23 -0.36 -0.95 120.40 118.20 1g95 s VAL 52 Ca 0.50 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1g95 s VAL 52 Cb -0.19 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1g95 s VAL 52 CO 0.19 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 1g95 n GLY 53 N -1.09 -1.90 3.68 2.32 0.00 -1.25 -1.10 105.19 105.86 1g95 n GLY 53 Ca -0.12 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 1g95 n GLY 53 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1g95 s HIS 54 N 0.00 2.63 -1.41 1.61 5.65 -1.24 -3.29 115.29 119.24 1g95 s HIS 54 Ca 0.00 0.62 -0.00 0.00 0.25 0.00 0.00 55.06 55.93 1g95 s HIS 54 Cb 0.00 -3.76 0.00 0.00 -1.18 0.00 0.00 32.58 27.64 1g95 s HIS 54 CO 0.00 -2.95 0.39 1.63 -0.65 0.00 0.00 174.74 173.16 1g95 n LYS 55 N 5.70 -3.11 -0.35 2.88 5.02 -1.26 -4.80 118.16 122.24 1g95 n LYS 55 Ca 0.14 0.38 0.33 0.00 -2.02 0.00 0.00 58.31 57.14 1g95 n LYS 55 Cb 0.43 -4.45 0.69 0.00 -0.02 0.00 0.00 35.03 31.67 1g95 n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g95 h ALA 56 N 0.83 2.90 0.50 7.82 0.00 -1.96 -1.39 119.26 127.96 1g95 h ALA 56 Ca -0.63 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1g95 h ALA 56 Cb 1.38 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1g95 h ALA 56 CO 0.63 -1.29 -0.35 1.49 0.00 0.00 0.00 179.25 179.73 1g95 h GLU 57 N 0.11 -0.80 -0.41 0.00 4.57 -1.91 -0.79 114.58 115.34 1g95 h GLU 57 Ca 0.60 0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.92 1g95 h GLU 57 Cb 2.15 0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 30.84 1g95 h GLU 57 CO -0.11 -0.53 -0.13 -0.07 -1.18 0.00 0.00 179.01 176.99 1g95 h LEU 58 N -0.83 -0.46 -0.48 1.64 3.38 -1.61 -2.20 115.31 114.74 1g95 h LEU 58 Ca -0.05 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1g95 h LEU 58 Cb 0.70 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1g95 h LEU 58 CO 0.02 -0.16 0.29 0.58 0.09 0.00 0.00 178.44 179.26 1g95 h VAL 59 N -0.03 1.15 -0.11 1.22 2.07 -1.49 -2.74 116.25 116.32 1g95 h VAL 59 Ca 0.20 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1g95 h VAL 59 Cb 0.34 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1g95 h VAL 59 CO -0.44 0.16 0.08 -0.33 0.02 0.00 0.00 177.57 177.05 1g95 h GLU 60 N 0.64 0.00 -0.35 1.57 5.08 -0.52 -1.21 114.58 119.79 1g95 h GLU 60 Ca 0.17 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1g95 h GLU 60 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1g95 h GLU 60 CO -0.03 0.00 -0.22 0.93 -1.00 0.00 0.00 179.01 178.69 1g95 h GLU 61 N 0.00 0.68 0.79 2.33 5.08 -1.16 -0.78 114.58 121.52 1g95 h GLU 61 Ca 0.05 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1g95 h GLU 61 Cb 0.21 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1g95 h GLU 61 CO -0.00 0.84 -0.38 0.28 -1.00 0.00 0.00 179.01 178.75 1g95 h VAL 62 N 0.60 0.10 -0.64 3.13 2.07 -1.23 -3.31 116.25 116.97 1g95 h VAL 62 Ca 0.09 -0.16 -0.21 0.00 0.82 0.00 0.00 66.70 67.23 1g95 h VAL 62 Cb 0.69 0.12 -0.13 0.00 -1.52 0.00 0.00 31.29 30.46 1g95 h VAL 62 CO 0.05 0.01 0.22 0.18 0.02 0.00 0.00 177.57 178.05 1g95 n LEU 63 N -5.50 5.54 -4.70 2.57 4.77 -1.17 -5.01 117.00 113.51 1g95 n LEU 63 Ca -0.14 -3.32 -0.42 0.00 -0.03 0.00 0.00 56.01 52.10 1g95 n LEU 63 Cb 0.43 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1g95 n LEU 63 CO 0.35 0.89 1.44 0.00 -1.33 0.00 0.00 177.39 178.73 1g95 s ALA 64 N -3.05 3.79 0.00 -1.18 0.00 -0.30 -2.43 121.76 118.60 1g95 s ALA 64 Ca 0.52 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1g95 s ALA 64 Cb 0.43 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1g95 s ALA 64 CO 0.10 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1g95 n GLY 65 N 4.16 2.18 0.58 0.00 0.00 -1.26 -4.84 105.19 106.01 1g95 n GLY 65 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1g95 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g95 n GLN 66 N -2.00 1.33 -3.58 1.61 10.64 -1.02 -5.01 117.38 119.35 1g95 n GLN 66 Ca 0.00 -1.50 -0.08 0.00 -1.83 0.00 0.00 57.00 53.59 1g95 n GLN 66 Cb 0.00 -1.27 -0.04 0.00 -0.86 0.00 0.00 30.24 28.07 1g95 n GLN 66 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 1g95 s THR 67 N -1.07 0.00 0.51 -0.39 -1.32 -1.23 -4.98 115.64 107.16 1g95 s THR 67 Ca 0.18 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.55 1g95 s THR 67 Cb 0.12 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.05 1g95 s THR 67 CO 0.17 0.00 0.90 -1.61 -2.21 0.00 0.00 174.62 171.86 1g95 s GLU 68 N -1.64 3.71 0.17 7.08 2.02 -0.14 -4.86 118.70 125.04 1g95 s GLU 68 Ca 0.03 0.60 0.06 0.00 0.02 0.00 0.00 54.97 55.67 1g95 s GLU 68 Cb -0.01 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1g95 s GLU 68 CO -0.03 -0.28 -0.12 -0.06 0.02 0.00 0.00 175.26 174.79 1g95 s PHE 69 N -2.74 1.46 -0.16 1.61 0.08 -1.26 0.00 117.98 116.97 1g95 s PHE 69 Ca 0.53 -0.67 -0.11 0.00 0.12 0.00 0.00 56.93 56.80 1g95 s PHE 69 Cb -0.10 -0.71 0.05 0.00 -0.57 0.00 0.00 43.02 41.69 1g95 s PHE 69 CO 0.41 0.20 0.41 0.14 -0.10 0.00 0.00 175.22 176.28 1g95 s VAL 70 N -3.11 -0.01 -0.02 -0.44 -7.23 -1.11 -4.90 120.40 103.57 1g95 s VAL 70 Ca 0.19 0.05 -0.09 0.00 -1.81 0.00 0.00 61.98 60.32 1g95 s VAL 70 Cb 0.01 -0.59 -0.05 0.00 0.56 0.00 0.00 36.38 36.31 1g95 s VAL 70 CO 0.03 0.02 0.28 -0.89 -0.31 0.00 0.00 175.10 174.23 1g95 s THR 71 N 0.84 5.28 -0.31 5.32 2.01 -1.26 -1.22 115.64 126.31 1g95 s THR 71 Ca -0.05 0.34 -0.03 0.00 0.31 0.00 0.00 61.69 62.25 1g95 s THR 71 Cb -0.06 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 68.93 1g95 s THR 71 CO -0.06 0.47 0.03 -1.58 -0.69 0.00 0.00 174.62 172.78 1g95 s GLN 72 N -1.45 2.56 0.00 4.92 0.74 -0.26 -4.94 119.66 121.23 1g95 s GLN 72 Ca 0.24 -1.19 0.00 0.00 0.05 0.00 0.00 55.36 54.46 1g95 s GLN 72 Cb -0.14 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.72 1g95 s GLN 72 CO 0.13 -0.60 0.69 0.43 -0.55 0.00 0.00 175.29 175.39 1g95 n SER 73 N 4.69 0.00 -4.67 6.67 7.64 -1.26 -4.60 113.62 122.09 1g95 n SER 73 Ca -0.13 0.69 -0.27 0.00 1.01 0.00 0.00 58.87 60.17 1g95 n SER 73 Cb 0.44 -0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 1g95 n SER 73 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1g95 s GLU 74 N -1.77 2.43 -0.75 1.43 2.12 -1.26 -4.98 118.70 115.93 1g95 s GLU 74 Ca 0.00 -1.07 -0.26 0.00 0.36 0.00 0.00 54.97 54.01 1g95 s GLU 74 Cb 0.00 -2.39 -0.03 0.00 0.26 0.00 0.00 34.13 31.98 1g95 s GLU 74 CO 0.00 0.47 1.85 -0.65 -0.54 0.00 0.00 175.26 176.38 1g95 s GLN 75 N -2.87 2.67 -0.31 4.30 -0.21 -1.26 -4.77 119.66 117.21 1g95 s GLN 75 Ca 0.27 0.14 0.09 0.00 0.02 0.00 0.00 55.36 55.87 1g95 s GLN 75 Cb -0.10 -4.68 0.53 0.00 1.00 0.00 0.00 33.01 29.76 1g95 s GLN 75 CO 0.19 -2.93 1.52 1.28 -2.12 0.00 0.00 175.29 173.22 1g95 n LEU 76 N 12.89 4.46 0.00 2.90 4.77 -1.26 -5.05 117.00 135.72 1g95 n LEU 76 Ca 0.28 -3.72 0.00 0.00 -0.03 0.00 0.00 56.01 52.54 1g95 n LEU 76 Cb 0.50 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1g95 n LEU 76 CO 0.66 1.20 0.00 0.61 -1.33 0.00 0.00 177.39 178.54 1g95 n GLY 77 N -1.08 -1.00 0.23 -0.72 0.00 -1.26 -2.52 105.19 98.84 1g95 n GLY 77 Ca 0.36 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.80 1g95 n GLY 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1g95 h THR 78 N 0.00 1.12 0.00 2.61 1.35 -1.88 -2.13 112.91 113.99 1g95 h THR 78 Ca 0.00 -0.61 -0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1g95 h THR 78 Cb 0.00 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1g95 h THR 78 CO 0.00 0.17 -0.00 1.23 -0.25 0.00 0.00 175.52 176.67 1g95 h GLY 79 N 0.53 -0.00 1.15 5.82 0.00 -1.46 -0.82 103.07 108.30 1g95 h GLY 79 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1g95 h GLY 79 CO 0.02 -0.00 0.36 0.84 0.00 0.00 0.00 176.54 177.76 1g95 h HIS 80 N -0.19 1.09 -0.55 5.60 6.17 -1.65 -1.43 115.15 124.19 1g95 h HIS 80 Ca -0.00 -0.05 0.02 0.00 0.71 0.00 0.00 60.37 61.05 1g95 h HIS 80 Cb 0.19 -0.34 -0.03 0.00 2.52 0.00 0.00 27.41 29.75 1g95 h HIS 80 CO -0.01 0.80 0.35 0.00 0.71 0.00 0.00 177.93 179.77 1g95 h ALA 81 N 1.31 0.71 0.00 5.26 0.00 -1.17 -1.79 119.26 123.58 1g95 h ALA 81 Ca 0.26 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1g95 h ALA 81 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1g95 h ALA 81 CO -0.03 0.09 -0.40 0.28 0.00 0.00 0.00 179.25 179.18 1g95 h VAL 82 N 0.70 1.17 0.00 0.00 2.07 -0.70 -2.64 116.25 116.85 1g95 h VAL 82 Ca 0.21 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1g95 h VAL 82 Cb -0.03 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1g95 h VAL 82 CO -0.07 0.40 0.00 0.24 0.02 0.00 0.00 177.57 178.15 1g95 h MET 83 N 0.00 0.00 0.00 1.57 2.07 -0.39 -2.18 114.93 116.00 1g95 h MET 83 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1g95 h MET 83 Cb 0.77 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.50 1g95 h MET 83 CO 0.05 0.00 0.00 0.52 1.07 0.00 0.00 176.91 178.55 1g95 h MET 84 N 0.00 0.00 0.00 1.72 2.86 -1.14 -2.63 114.93 115.73 1g95 h MET 84 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1g95 h MET 84 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1g95 h MET 84 CO 0.00 0.00 -0.22 2.41 1.06 0.00 0.00 176.91 180.16 1g95 n THR 85 N -2.61 0.00 0.03 2.22 -1.04 -0.82 -4.31 114.28 107.76 1g95 n THR 85 Ca 0.03 -0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.93 1g95 n THR 85 Cb 0.36 -0.18 -0.05 0.00 -1.82 0.00 0.00 70.33 68.65 1g95 n THR 85 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1g95 h GLU 86 N 0.00 -0.41 -0.23 -2.82 4.81 -1.58 0.46 114.58 114.80 1g95 h GLU 86 Ca 0.00 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1g95 h GLU 86 Cb 0.50 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1g95 h GLU 86 CO 0.00 -0.28 0.33 -1.35 -0.73 0.00 0.00 179.01 176.99 1g95 h PRO 87 N -0.43 0.00 0.00 0.92 0.11 -1.80 -1.90 132.00 128.90 1g95 h PRO 87 Ca 0.08 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.94 1g95 h PRO 87 Cb 0.55 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.61 1g95 h PRO 87 CO -0.31 0.00 -2.04 -0.89 -0.21 0.00 0.00 178.00 174.55 1g95 n ILE 88 N -3.51 0.94 -0.09 4.15 5.41 -0.89 -4.80 119.36 120.57 1g95 n ILE 88 Ca 0.03 -0.63 -0.11 0.00 1.00 0.00 0.00 62.75 63.04 1g95 n ILE 88 Cb 0.46 -0.49 -0.10 0.00 -0.71 0.00 0.00 39.64 38.79 1g95 n ILE 88 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1g95 n LEU 89 N -2.52 1.65 -4.65 1.39 4.77 0.10 -4.97 117.00 112.77 1g95 n LEU 89 Ca -0.23 -0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.27 1g95 n LEU 89 Cb 0.94 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.79 1g95 n LEU 89 CO 0.34 0.63 1.64 1.21 -1.33 0.00 0.00 177.39 179.88 1g95 n GLU 90 N -2.85 2.66 0.00 3.23 2.13 -0.73 -2.53 120.64 122.55 1g95 n GLU 90 Ca -0.30 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1g95 n GLU 90 Cb 0.93 -3.02 0.00 0.00 0.27 0.00 0.00 31.44 29.62 1g95 n GLU 90 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1g95 n GLY 91 N 4.76 1.83 3.06 8.31 0.00 -1.26 -4.97 105.19 116.93 1g95 n GLY 91 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1g95 n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g95 s LEU 92 N 0.00 1.97 -0.26 0.99 1.43 -1.05 -5.11 118.68 116.64 1g95 s LEU 92 Ca 0.00 -0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 1g95 s LEU 92 Cb 0.00 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 1g95 s LEU 92 CO 0.00 0.13 0.48 -0.55 0.23 0.00 0.00 176.35 176.64 1g95 s SER 93 N -0.16 6.39 0.00 2.29 0.15 -1.26 -3.92 113.70 117.19 1g95 s SER 93 Ca 0.02 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1g95 s SER 93 Cb -0.06 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1g95 s SER 93 CO -0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1g95 n GLY 94 N 4.46 -0.56 3.00 9.45 0.00 -1.26 -4.58 105.19 115.70 1g95 n GLY 94 Ca -0.05 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1g95 n GLY 94 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g95 s HIS 95 N -3.29 2.64 -0.41 1.61 3.76 -0.48 -2.86 115.29 116.26 1g95 s HIS 95 Ca 0.00 -1.84 -0.17 0.00 -0.15 0.00 0.00 55.06 52.90 1g95 s HIS 95 Cb 0.00 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 32.01 1g95 s HIS 95 CO 0.00 -0.79 0.42 0.99 -0.85 0.00 0.00 174.74 174.51 1g95 s THR 96 N 1.32 5.10 -0.04 1.30 2.01 0.18 -0.45 115.64 125.05 1g95 s THR 96 Ca -0.05 -0.28 -0.27 0.00 0.31 0.00 0.00 61.69 61.40 1g95 s THR 96 Cb -0.18 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1g95 s THR 96 CO -0.07 -0.37 0.85 -0.22 -0.69 0.00 0.00 174.62 174.12 1g95 s LEU 97 N 2.11 4.33 -0.37 4.42 0.20 -0.54 -1.11 118.68 127.73 1g95 s LEU 97 Ca 0.12 1.41 -0.06 0.00 0.69 0.00 0.00 54.13 56.29 1g95 s LEU 97 Cb -0.17 -3.33 0.06 0.00 -0.43 0.00 0.00 46.19 42.32 1g95 s LEU 97 CO 0.13 -0.21 0.16 -0.69 -0.29 0.00 0.00 176.35 175.45 1g95 s VAL 98 N 1.03 3.76 -0.00 1.68 1.01 0.16 -0.82 120.40 127.22 1g95 s VAL 98 Ca 0.44 -1.39 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1g95 s VAL 98 Cb -0.19 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1g95 s VAL 98 CO 0.22 -0.36 -0.19 -0.51 0.00 0.00 0.00 175.10 174.27 1g95 s ILE 99 N 1.35 1.47 0.48 2.22 2.07 -0.87 -1.08 121.20 126.84 1g95 s ILE 99 Ca 0.01 -0.87 -0.10 0.00 -1.41 0.00 0.00 60.65 58.27 1g95 s ILE 99 Cb -0.21 -1.24 -0.06 0.00 0.13 0.00 0.00 42.46 41.08 1g95 s ILE 99 CO 0.01 0.35 0.85 0.00 -1.91 0.00 0.00 174.94 174.24 1g95 s ALA 100 N -0.52 3.28 -2.33 1.50 0.00 -1.26 -0.64 121.76 121.78 1g95 s ALA 100 Ca 0.07 -0.20 0.23 0.00 0.00 0.00 0.00 51.96 52.06 1g95 s ALA 100 Cb -0.07 -2.80 0.88 0.00 0.00 0.00 0.00 23.12 21.13 1g95 s ALA 100 CO -0.00 -0.25 1.63 0.41 0.00 0.00 0.00 175.76 177.55 1g95 n GLY 101 N -1.83 0.13 1.74 0.00 0.00 0.13 -4.02 105.19 101.34 1g95 n GLY 101 Ca 0.03 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 1g95 n GLY 101 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1g95 n ASP 102 N 0.21 4.06 -3.43 1.61 5.75 -1.26 -3.51 116.55 119.98 1g95 n ASP 102 Ca 0.17 -3.38 -0.26 0.00 -0.01 0.00 0.00 54.79 51.31 1g95 n ASP 102 Cb 0.32 -0.72 -0.09 0.00 -1.03 0.00 0.00 41.12 39.61 1g95 n ASP 102 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1g95 n THR 103 N -0.58 0.54 0.25 2.12 -2.24 -1.26 -0.94 114.28 112.17 1g95 n THR 103 Ca 0.41 -4.41 0.09 0.00 -2.27 0.00 0.00 64.05 57.87 1g95 n THR 103 Cb 1.32 -1.98 0.65 0.00 -2.10 0.00 0.00 70.33 68.22 1g95 n THR 103 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1g95 h PRO 104 N 4.64 0.00 0.00 -0.78 0.11 -1.82 -3.18 132.00 130.98 1g95 h PRO 104 Ca 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1g95 h PRO 104 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1g95 h PRO 104 CO 0.60 0.12 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.33 1g95 h LEU 105 N 0.00 0.00 -9.52 2.35 3.38 -1.84 -3.43 115.31 106.25 1g95 h LEU 105 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1g95 h LEU 105 Cb 0.24 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.03 1g95 h LEU 105 CO 0.02 0.10 1.12 -0.38 0.09 0.00 0.00 178.44 179.39 1g95 n ILE 106 N -3.13 0.36 -3.09 1.22 5.41 -1.12 -4.90 119.36 114.10 1g95 n ILE 106 Ca 0.03 -0.06 -0.25 0.00 1.00 0.00 0.00 62.75 63.47 1g95 n ILE 106 Cb 0.56 -2.14 -0.01 0.00 -0.71 0.00 0.00 39.64 37.34 1g95 n ILE 106 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1g95 s THR 107 N 2.69 4.91 0.20 1.39 -4.23 -1.26 -4.76 115.64 114.58 1g95 s THR 107 Ca 0.82 -0.25 -0.10 0.00 -1.18 0.00 0.00 61.69 60.98 1g95 s THR 107 Cb -0.47 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 69.70 1g95 s THR 107 CO 0.37 -0.63 1.81 1.23 -0.54 0.00 0.00 174.62 176.86 1g95 h GLY 108 N 0.53 1.13 1.21 3.99 0.00 -1.89 -2.29 103.07 105.76 1g95 h GLY 108 Ca -0.48 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 46.37 1g95 h GLY 108 CO 0.61 0.51 0.40 -2.09 0.00 0.00 0.00 176.54 175.97 1g95 h GLU 109 N 1.04 0.60 -0.18 4.80 4.81 -1.95 -0.01 114.58 123.70 1g95 h GLU 109 Ca 0.26 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1g95 h GLU 109 Cb 0.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1g95 h GLU 109 CO -0.04 0.40 -0.44 0.77 -0.73 0.00 0.00 179.01 178.97 1g95 h SER 110 N 0.62 0.47 0.50 1.04 0.02 -1.82 -1.33 113.55 113.05 1g95 h SER 110 Ca 0.26 -0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.79 1g95 h SER 110 Cb 0.22 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1g95 h SER 110 CO -0.07 0.85 -0.86 -0.07 -1.14 0.00 0.00 176.83 175.54 1g95 h LEU 111 N 0.36 0.32 -0.21 5.07 3.38 -0.93 -1.13 115.31 122.17 1g95 h LEU 111 Ca 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1g95 h LEU 111 Cb 0.91 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1g95 h LEU 111 CO 0.08 1.03 0.09 0.11 0.09 0.00 0.00 178.44 179.84 1g95 h LYS 112 N 0.14 0.32 -0.20 1.13 1.57 -0.92 -0.90 116.57 117.72 1g95 h LYS 112 Ca -0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1g95 h LYS 112 Cb 1.47 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 1g95 h LYS 112 CO 0.14 0.37 0.11 -0.91 -0.57 0.00 0.00 179.45 178.59 1g95 h ASN 113 N 0.19 0.23 -0.26 0.86 2.35 -1.14 0.11 115.58 117.92 1g95 h ASN 113 Ca 0.07 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.63 1g95 h ASN 113 Cb 0.17 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1g95 h ASN 113 CO -0.01 0.18 -0.56 0.25 -1.65 0.00 0.00 177.43 175.65 1g95 h LEU 114 N 0.27 0.95 -0.18 1.61 5.85 -0.58 -2.18 115.31 121.05 1g95 h LEU 114 Ca 0.07 -0.52 -0.17 0.00 0.84 0.00 0.00 57.88 58.11 1g95 h LEU 114 Cb -0.00 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1g95 h LEU 114 CO -0.01 1.31 -0.54 0.40 -0.34 0.00 0.00 178.44 179.26 1g95 h ILE 115 N 0.65 1.31 -0.13 4.05 1.08 -0.47 -2.51 117.51 121.49 1g95 h ILE 115 Ca 0.01 -1.78 -0.06 0.00 -0.39 0.00 0.00 64.86 62.64 1g95 h ILE 115 Cb 1.16 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.83 1g95 h ILE 115 CO 0.12 0.56 -0.20 0.44 -0.69 0.00 0.00 178.15 178.38 1g95 h ASP 116 N 0.38 0.20 -0.08 1.72 5.19 -0.83 -2.21 116.42 120.80 1g95 h ASP 116 Ca -0.02 -0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.23 1g95 h ASP 116 Cb 1.16 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.62 1g95 h ASP 116 CO 0.12 0.42 -0.39 0.15 -3.12 0.00 0.00 179.24 176.42 1g95 h PHE 117 N 0.20 0.54 -0.50 4.55 3.57 -1.39 -0.95 116.94 122.96 1g95 h PHE 117 Ca 0.04 -0.24 0.04 0.00 3.53 0.00 0.00 57.97 61.33 1g95 h PHE 117 Cb 0.48 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1g95 h PHE 117 CO 0.01 1.00 0.33 1.25 -2.23 0.00 0.00 178.31 178.67 1g95 h HIS 118 N -0.06 0.52 0.00 0.41 2.76 -1.25 -0.76 115.15 116.76 1g95 h HIS 118 Ca -0.03 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1g95 h HIS 118 Cb 1.04 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 1g95 h HIS 118 CO 0.12 0.30 -0.01 0.82 -1.30 0.00 0.00 177.93 177.86 1g95 h ILE 119 N 0.53 0.98 -0.66 6.26 2.04 -1.41 -2.38 117.51 122.88 1g95 h ILE 119 Ca 0.21 -1.74 0.17 0.00 1.00 0.00 0.00 64.86 64.50 1g95 h ILE 119 Cb 0.15 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1g95 h ILE 119 CO -0.05 0.33 0.47 0.78 0.00 0.00 0.00 178.15 179.68 1g95 h ASN 120 N -1.00 0.12 -0.41 1.72 2.35 -1.00 -0.39 115.58 116.98 1g95 h ASN 120 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1g95 h ASN 120 Cb 0.55 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1g95 h ASN 120 CO -0.00 0.06 0.00 1.41 -1.65 0.00 0.00 177.43 177.25 1g95 n HIS 121 N -4.39 0.53 -4.22 1.19 8.25 -0.31 -4.98 115.22 111.28 1g95 n HIS 121 Ca 0.13 -0.33 -0.37 0.00 -0.26 0.00 0.00 57.72 56.89 1g95 n HIS 121 Cb 0.65 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.71 1g95 n HIS 121 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1g95 n LYS 122 N 1.20 -2.69 -1.70 -0.41 5.02 -0.16 -4.92 118.16 114.51 1g95 n LYS 122 Ca 0.17 0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 56.47 1g95 n LYS 122 Cb 0.53 -5.03 0.04 0.00 -0.02 0.00 0.00 35.03 30.55 1g95 n LYS 122 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1g95 s ASN 123 N -3.22 5.45 0.05 4.39 0.01 -0.92 -4.88 114.94 115.81 1g95 s ASN 123 Ca 0.74 1.69 0.22 0.00 -0.71 0.00 0.00 52.86 54.81 1g95 s ASN 123 Cb -0.41 -2.51 -0.18 0.00 0.41 0.00 0.00 41.25 38.56 1g95 s ASN 123 CO 0.91 -1.39 0.75 0.52 -1.51 0.00 0.00 177.10 176.38 1g95 n VAL 124 N -2.82 0.19 -3.41 1.60 0.31 0.55 -4.79 118.33 109.96 1g95 n VAL 124 Ca 0.08 -0.44 0.01 0.00 -0.01 0.00 0.00 64.34 63.99 1g95 n VAL 124 Cb 0.53 0.01 -0.03 0.00 -0.91 0.00 0.00 33.84 33.45 1g95 n VAL 124 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g95 s ALA 125 N -3.39 -2.26 -0.13 3.52 0.00 -1.20 -1.32 121.76 116.97 1g95 s ALA 125 Ca -0.03 2.08 -0.03 0.00 0.00 0.00 0.00 51.96 53.99 1g95 s ALA 125 Cb 0.13 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 1g95 s ALA 125 CO 0.86 -1.11 -0.04 0.99 0.00 0.00 0.00 175.76 176.46 1g95 s THR 126 N 2.85 3.92 -0.19 0.00 2.01 0.29 -1.85 115.64 122.67 1g95 s THR 126 Ca 0.05 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 1g95 s THR 126 Cb -0.13 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1g95 s THR 126 CO -0.19 0.52 0.01 -0.63 -0.69 0.00 0.00 174.62 173.64 1g95 s ILE 127 N 0.03 4.12 -0.43 1.82 1.01 -0.40 -1.48 121.20 125.88 1g95 s ILE 127 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 1g95 s ILE 127 Cb -0.13 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.51 1g95 s ILE 127 CO 0.03 0.44 1.15 -0.22 0.00 0.00 0.00 174.94 176.34 1g95 s LEU 128 N 0.79 3.71 0.00 2.97 2.96 -0.44 -1.17 118.68 127.50 1g95 s LEU 128 Ca 0.01 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 1g95 s LEU 128 Cb -0.14 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.02 1g95 s LEU 128 CO 0.02 -1.17 0.12 0.35 -1.32 0.00 0.00 176.35 174.35 1g95 n THR 129 N 6.59 0.00 -3.51 3.68 -2.24 0.03 -2.04 114.28 116.78 1g95 n THR 129 Ca 0.12 -1.96 -0.10 0.00 -2.27 0.00 0.00 64.05 59.85 1g95 n THR 129 Cb 0.48 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 1g95 n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g95 s ALA 130 N -2.71 -1.82 -0.08 6.98 0.00 -0.82 -0.56 121.76 122.75 1g95 s ALA 130 Ca 0.09 1.11 -0.00 0.00 0.00 0.00 0.00 51.96 53.15 1g95 s ALA 130 Cb -0.01 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1g95 s ALA 130 CO 0.06 -0.59 -0.05 -1.21 0.00 0.00 0.00 175.76 173.97 1g95 s GLU 131 N -2.60 2.91 -0.00 0.00 2.02 -1.26 -0.02 118.70 119.74 1g95 s GLU 131 Ca 0.02 -0.51 -0.09 0.00 0.02 0.00 0.00 54.97 54.40 1g95 s GLU 131 Cb -0.01 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.56 1g95 s GLU 131 CO -0.06 0.63 0.19 -0.08 0.02 0.00 0.00 175.26 175.96 1g95 s THR 132 N -0.69 0.07 -2.01 3.63 -1.32 -0.87 -4.72 115.64 109.73 1g95 s THR 132 Ca 0.11 -0.61 0.10 0.00 -1.21 0.00 0.00 61.69 60.08 1g95 s THR 132 Cb -0.11 -0.48 0.28 0.00 -1.51 0.00 0.00 72.50 70.68 1g95 s THR 132 CO 0.02 -0.33 1.24 -0.67 -2.21 0.00 0.00 174.62 172.67 1g95 n ASP 133 N 1.45 1.65 -3.15 8.08 2.03 -1.26 -4.17 116.55 121.18 1g95 n ASP 133 Ca -0.22 -1.99 -0.21 0.00 0.52 0.00 0.00 54.79 52.89 1g95 n ASP 133 Cb 0.56 -0.20 -0.05 0.00 -0.72 0.00 0.00 41.12 40.70 1g95 n ASP 133 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1g95 n ASN 134 N 0.40 -0.75 -0.11 1.67 2.85 -1.26 -5.00 115.26 113.05 1g95 n ASN 134 Ca 0.11 -2.71 0.00 0.00 -0.11 0.00 0.00 54.58 51.86 1g95 n ASN 134 Cb 0.26 -0.06 0.00 0.00 1.24 0.00 0.00 39.78 41.22 1g95 n ASN 134 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1g95 n PRO 135 N 1.95 0.95 -1.67 1.20 -0.02 -1.26 -4.94 135.00 131.22 1g95 n PRO 135 Ca 0.21 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.24 1g95 n PRO 135 Cb 0.53 -1.11 -0.04 0.00 -0.02 0.00 0.00 33.50 32.87 1g95 n PRO 135 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1g95 n PHE 136 N -0.38 2.40 0.00 6.00 7.35 -1.26 -2.66 117.46 128.91 1g95 n PHE 136 Ca 0.00 -0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 1g95 n PHE 136 Cb 0.05 -2.74 0.00 0.00 0.35 0.00 0.00 39.48 37.15 1g95 n PHE 136 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1g95 n GLY 137 N 4.56 3.10 3.83 7.13 0.00 -1.26 -5.07 105.19 117.48 1g95 n GLY 137 Ca 0.22 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1g95 n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g95 s TYR 138 N -0.66 3.20 0.19 1.61 1.51 -1.09 -4.66 117.35 117.46 1g95 s TYR 138 Ca 0.00 1.43 -0.29 0.00 -1.01 0.00 0.00 57.07 57.20 1g95 s TYR 138 Cb 0.00 -2.88 -0.08 0.00 -0.11 0.00 0.00 41.96 38.89 1g95 s TYR 138 CO 0.00 -1.01 0.92 0.20 -1.11 0.00 0.00 175.55 174.55 1g95 s GLY 139 N -3.50 3.06 -0.15 0.71 0.00 -1.26 -4.50 107.32 101.69 1g95 s GLY 139 Ca 0.59 0.57 -0.06 0.00 0.00 0.00 0.00 44.72 45.81 1g95 s GLY 139 CO 0.47 1.22 0.08 0.50 0.00 0.00 0.00 173.10 175.36 1g95 s ARG 140 N -0.84 3.66 -0.49 2.90 0.52 0.53 -1.11 118.95 124.12 1g95 s ARG 140 Ca 0.42 -0.29 -0.28 0.00 -0.52 0.00 0.00 55.73 55.05 1g95 s ARG 140 Cb -0.25 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.10 1g95 s ARG 140 CO 0.30 0.49 1.36 0.42 0.02 0.00 0.00 175.30 177.89 1g95 s ILE 141 N -0.24 3.91 -0.17 1.52 -1.09 -0.82 -1.16 121.20 123.16 1g95 s ILE 141 Ca 0.09 0.88 -0.20 0.00 -2.23 0.00 0.00 60.65 59.18 1g95 s ILE 141 Cb -0.12 -4.39 -0.03 0.00 -1.58 0.00 0.00 42.46 36.34 1g95 s ILE 141 CO 0.01 -0.99 0.57 -0.69 -1.23 0.00 0.00 174.94 172.62 1g95 s VAL 142 N 5.49 5.08 0.00 2.92 1.01 0.80 -4.89 120.40 130.81 1g95 s VAL 142 Ca 0.55 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1g95 s VAL 142 Cb -0.11 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1g95 s VAL 142 CO 0.29 0.19 0.00 0.54 0.00 0.00 0.00 175.10 176.12 1g95 n ARG 143 N 4.54 3.64 -1.71 2.72 1.74 -1.26 -0.05 116.66 126.28 1g95 n ARG 143 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1g95 n ARG 143 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1g95 n ARG 143 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1g95 n ASN 144 N -0.13 0.23 0.15 0.55 0.23 -1.05 -4.75 115.26 110.50 1g95 n ASN 144 Ca 0.00 -0.85 0.12 0.00 -0.53 0.00 0.00 54.58 53.32 1g95 n ASN 144 Cb 0.00 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.25 1g95 n ASN 144 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1g95 h ASP 145 N 0.00 0.00 -0.41 0.53 2.03 -2.03 -1.70 116.42 114.84 1g95 h ASP 145 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1g95 h ASP 145 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1g95 h ASP 145 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 179.24 175.01 1g95 n ASN 146 N -2.30 3.14 -0.41 4.15 4.05 -1.26 -4.97 115.26 117.66 1g95 n ASN 146 Ca 0.01 -1.94 -0.05 0.00 0.45 0.00 0.00 54.58 53.05 1g95 n ASN 146 Cb 0.15 -0.27 -0.02 0.00 1.23 0.00 0.00 39.78 40.87 1g95 n ASN 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1g95 n ALA 147 N 0.94 -0.08 -1.98 5.20 0.00 -0.64 -5.01 120.51 118.94 1g95 n ALA 147 Ca 0.15 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 1g95 n ALA 147 Cb 0.48 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 1g95 n ALA 147 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1g95 s GLU 148 N -1.95 4.71 -0.37 0.00 2.02 -1.26 -4.72 118.70 117.13 1g95 s GLU 148 Ca 0.00 1.58 -0.29 0.00 0.02 0.00 0.00 54.97 56.28 1g95 s GLU 148 Cb 0.00 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.95 1g95 s GLU 148 CO 0.00 0.27 1.26 0.08 0.02 0.00 0.00 175.26 176.89 1g95 s VAL 149 N -0.58 4.16 -0.13 2.63 1.01 -1.25 -2.51 120.40 123.72 1g95 s VAL 149 Ca 0.45 1.26 -0.09 0.00 0.00 0.00 0.00 61.98 63.61 1g95 s VAL 149 Cb -0.27 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 1g95 s VAL 149 CO 0.33 -0.65 -0.01 -0.07 0.00 0.00 0.00 175.10 174.70 1g95 h LEU 150 N 11.12 0.00 -7.16 3.92 3.38 -0.76 -3.44 115.31 122.38 1g95 h LEU 150 Ca -0.25 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.69 1g95 h LEU 150 Cb 1.09 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 1g95 h LEU 150 CO 1.07 0.77 0.43 0.00 0.09 0.00 0.00 178.44 180.79 1g95 s ARG 151 N -2.02 1.01 -0.18 1.13 1.70 -1.05 -4.90 118.95 114.64 1g95 s ARG 151 Ca -0.12 -0.42 -0.12 0.00 -0.47 0.00 0.00 55.73 54.61 1g95 s ARG 151 Cb 0.01 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 1g95 s ARG 151 CO 0.22 -0.45 0.20 0.42 -1.08 0.00 0.00 175.30 174.62 1g95 s ILE 152 N -3.30 5.37 -0.13 4.99 1.01 -1.26 -0.14 121.20 127.74 1g95 s ILE 152 Ca 0.06 0.35 -0.00 0.00 0.00 0.00 0.00 60.65 61.06 1g95 s ILE 152 Cb -0.01 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.94 1g95 s ILE 152 CO -0.07 0.43 -0.10 -0.69 0.00 0.00 0.00 174.94 174.50 1g95 s VAL 153 N 0.32 1.26 0.83 2.92 1.01 -0.31 -4.90 120.40 121.53 1g95 s VAL 153 Ca 0.12 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1g95 s VAL 153 Cb -0.12 -1.22 0.16 0.00 0.00 0.00 0.00 36.38 35.19 1g95 s VAL 153 CO 0.01 0.41 1.15 -1.61 0.00 0.00 0.00 175.10 175.06 1g95 s GLU 154 N 1.59 1.21 -0.00 2.72 2.02 -1.26 -0.34 118.70 124.63 1g95 s GLU 154 Ca 0.04 -0.75 -0.06 0.00 0.02 0.00 0.00 54.97 54.23 1g95 s GLU 154 Cb -0.13 -2.10 -0.26 0.00 0.10 0.00 0.00 34.13 31.75 1g95 s GLU 154 CO -0.09 -1.90 3.58 1.04 0.02 0.00 0.00 175.26 177.92 1g95 n GLN 155 N -3.28 1.98 0.00 1.61 6.02 -1.26 -1.98 117.38 120.47 1g95 n GLN 155 Ca 0.15 -0.99 0.00 0.00 -0.01 0.00 0.00 57.00 56.15 1g95 n GLN 155 Cb 0.60 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1g95 n GLN 155 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1g95 n LYS 156 N 2.46 4.16 0.00 -1.09 5.02 -1.26 -4.78 118.16 122.67 1g95 n LYS 156 Ca 0.42 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1g95 n LYS 156 Cb 0.91 -0.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 1g95 n LYS 156 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1g95 n ASP 157 N -0.14 1.02 -4.65 4.39 8.00 -1.05 -5.04 116.55 119.07 1g95 n ASP 157 Ca 0.00 -1.19 -0.43 0.00 0.71 0.00 0.00 54.79 53.88 1g95 n ASP 157 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1g95 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g95 s ALA 158 N -0.19 3.50 0.74 2.24 0.00 -0.84 -4.95 121.76 122.26 1g95 s ALA 158 Ca 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 51.96 52.23 1g95 s ALA 158 Cb 0.00 -3.72 0.05 0.00 0.00 0.00 0.00 23.12 19.45 1g95 s ALA 158 CO 0.00 -1.52 1.10 0.95 0.00 0.00 0.00 175.76 176.29 1g95 s THR 159 N 4.11 2.63 0.35 0.00 -4.23 -1.26 -4.78 115.64 112.47 1g95 s THR 159 Ca 0.59 0.09 0.04 0.00 -1.18 0.00 0.00 61.69 61.23 1g95 s THR 159 Cb -0.21 -3.18 0.28 0.00 1.34 0.00 0.00 72.50 70.72 1g95 s THR 159 CO 0.21 -0.23 1.98 0.44 -0.54 0.00 0.00 174.62 176.49 1g95 h ASP 160 N -0.78 0.71 0.15 3.99 3.32 -1.97 0.23 116.42 122.07 1g95 h ASP 160 Ca -0.45 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 1g95 h ASP 160 Cb 1.30 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1g95 h ASP 160 CO 0.64 0.49 -0.42 0.15 -1.72 0.00 0.00 179.24 178.37 1g95 h PHE 161 N 0.82 0.41 0.00 4.55 3.57 -2.02 -2.90 116.94 121.37 1g95 h PHE 161 Ca 0.27 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 1g95 h PHE 161 Cb 0.07 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1g95 h PHE 161 CO -0.00 0.72 -0.53 0.93 -2.23 0.00 0.00 178.31 177.20 1g95 h GLU 162 N 0.29 0.00 0.00 1.11 5.08 -1.61 -3.27 114.58 116.18 1g95 h GLU 162 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1g95 h GLU 162 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1g95 h GLU 162 CO 0.07 0.51 0.00 1.63 -1.00 0.00 0.00 179.01 180.22 1g95 n LYS 163 N -3.22 0.41 0.00 2.33 5.02 0.70 -2.40 118.16 121.00 1g95 n LYS 163 Ca 0.02 0.03 0.06 0.00 -2.02 0.00 0.00 58.31 56.40 1g95 n LYS 163 Cb 0.74 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.22 1g95 n LYS 163 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g95 n GLN 164 N -1.06 2.39 -1.83 1.97 -0.00 -1.23 -4.99 117.38 112.63 1g95 n GLN 164 Ca 0.10 -0.36 -0.42 0.00 -0.00 0.00 0.00 57.00 56.32 1g95 n GLN 164 Cb 0.06 -1.13 -0.03 0.00 -0.00 0.00 0.00 30.24 29.14 1g95 n GLN 164 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1g95 s ILE 165 N -1.89 2.41 -0.08 -0.39 1.01 -1.01 -4.90 121.20 116.36 1g95 s ILE 165 Ca 0.08 0.24 0.14 0.00 0.00 0.00 0.00 60.65 61.11 1g95 s ILE 165 Cb 0.10 -3.15 -0.12 0.00 0.01 0.00 0.00 42.46 39.29 1g95 s ILE 165 CO 0.42 0.01 0.99 0.11 0.00 0.00 0.00 174.94 176.47 1g95 h LYS 166 N 7.13 0.00 -6.35 2.79 1.79 -1.92 -3.45 116.57 116.56 1g95 h LYS 166 Ca -0.43 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.47 1g95 h LYS 166 Cb 1.20 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 1g95 h LYS 166 CO 0.94 0.48 0.97 -2.00 -1.08 0.00 0.00 179.45 178.76 1g95 s GLU 167 N -2.83 3.92 0.42 3.15 2.12 -1.26 -2.05 118.70 122.16 1g95 s GLU 167 Ca -0.01 1.26 0.07 0.00 0.36 0.00 0.00 54.97 56.65 1g95 s GLU 167 Cb 0.08 -3.88 -0.05 0.00 0.26 0.00 0.00 34.13 30.54 1g95 s GLU 167 CO 0.80 -1.12 0.18 0.96 -0.54 0.00 0.00 175.26 175.54 1g95 s ILE 168 N 4.38 2.27 -0.19 -3.70 -5.25 0.97 -1.94 121.20 117.73 1g95 s ILE 168 Ca 0.56 -1.70 -0.15 0.00 -0.99 0.00 0.00 60.65 58.37 1g95 s ILE 168 Cb -0.17 -2.97 -0.04 0.00 2.95 0.00 0.00 42.46 42.23 1g95 s ILE 168 CO 0.23 0.00 0.37 0.21 -1.79 0.00 0.00 174.94 173.96 1g95 s ASN 169 N -3.91 6.43 0.07 4.36 3.04 -0.27 -1.94 114.94 122.71 1g95 s ASN 169 Ca 0.40 0.50 0.27 0.00 0.04 0.00 0.00 52.86 54.08 1g95 s ASN 169 Cb 0.04 -2.22 0.99 0.00 -1.54 0.00 0.00 41.25 38.52 1g95 s ASN 169 CO 0.22 -0.04 1.79 0.35 -3.04 0.00 0.00 177.10 176.38 1g95 n THR 170 N 4.21 0.19 -0.76 -5.21 -2.24 -0.87 -4.66 114.28 104.94 1g95 n THR 170 Ca -0.09 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1g95 n THR 170 Cb 0.51 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1g95 n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g95 n GLY 171 N 1.44 0.56 3.13 3.38 0.00 -1.26 -5.01 105.19 107.42 1g95 n GLY 171 Ca 0.06 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1g95 n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g95 s THR 172 N -2.00 1.68 0.28 2.61 2.01 -1.26 -4.41 115.64 114.55 1g95 s THR 172 Ca 0.00 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.24 1g95 s THR 172 Cb 0.00 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1g95 s THR 172 CO 0.00 0.48 0.18 -0.31 -0.69 0.00 0.00 174.62 174.27 1g95 s TYR 173 N 0.59 1.51 -0.13 4.92 1.51 -0.24 -1.33 117.35 124.18 1g95 s TYR 173 Ca -0.15 -1.44 -0.04 0.00 -1.01 0.00 0.00 57.07 54.44 1g95 s TYR 173 Cb -0.17 -0.74 0.05 0.00 -0.11 0.00 0.00 41.96 40.99 1g95 s TYR 173 CO 0.05 -0.64 0.07 0.08 -1.11 0.00 0.00 175.55 174.01 1g95 s VAL 174 N -3.73 -0.04 0.27 0.71 1.01 -0.55 0.36 120.40 118.44 1g95 s VAL 174 Ca 0.38 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.46 1g95 s VAL 174 Cb 0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1g95 s VAL 174 CO 0.18 -0.11 -0.02 -0.36 0.00 0.00 0.00 175.10 174.79 1g95 s PHE 175 N 2.12 2.65 -0.30 5.22 0.08 -0.26 -0.54 117.98 126.94 1g95 s PHE 175 Ca 0.03 -0.24 -0.29 0.00 0.12 0.00 0.00 56.93 56.55 1g95 s PHE 175 Cb -0.15 -1.19 0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1g95 s PHE 175 CO -0.07 0.62 1.21 0.34 -0.10 0.00 0.00 175.22 177.23 1g95 s ASP 176 N -3.66 6.79 0.10 1.36 2.15 -0.44 -0.65 116.67 122.32 1g95 s ASP 176 Ca 0.31 1.17 -0.20 0.00 0.43 0.00 0.00 52.55 54.27 1g95 s ASP 176 Cb -0.06 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.97 1g95 s ASP 176 CO 0.19 -0.99 1.35 -1.13 -0.17 0.00 0.00 175.17 174.42 1g95 h ASN 177 N 8.77 -1.37 0.01 -0.34 -1.24 -1.80 -0.84 115.58 118.77 1g95 h ASN 177 Ca -0.24 0.21 0.03 0.00 0.71 0.00 0.00 56.30 57.01 1g95 h ASN 177 Cb 1.08 0.60 -0.05 0.00 0.73 0.00 0.00 38.32 40.69 1g95 h ASN 177 CO 1.03 -0.15 -0.37 -0.33 -1.29 0.00 0.00 177.43 176.32 1g95 h GLU 178 N -0.02 -0.51 -0.83 6.67 5.08 -1.87 -2.61 114.58 120.49 1g95 h GLU 178 Ca 0.10 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1g95 h GLU 178 Cb 0.27 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1g95 h GLU 178 CO -0.58 -0.34 0.55 0.00 -1.00 0.00 0.00 179.01 177.63 1g95 h ARG 179 N -0.53 0.97 0.17 2.33 2.47 -1.91 -3.09 114.38 114.79 1g95 h ARG 179 Ca 0.05 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1g95 h ARG 179 Cb 0.61 -0.22 -0.04 0.00 -1.65 0.00 0.00 29.97 28.67 1g95 h ARG 179 CO -0.29 0.64 -0.38 1.25 0.56 0.00 0.00 179.97 181.75 1g95 h LEU 180 N 0.99 -1.10 -1.43 3.04 5.85 -0.76 -0.87 115.31 121.04 1g95 h LEU 180 Ca 0.34 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 59.16 1g95 h LEU 180 Cb 0.09 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1g95 h LEU 180 CO -0.11 -0.47 -0.10 -0.26 -0.34 0.00 0.00 178.44 177.16 1g95 h PHE 181 N -0.64 0.00 0.14 1.25 0.04 -1.51 -2.45 116.94 113.77 1g95 h PHE 181 Ca 0.02 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.48 1g95 h PHE 181 Cb 0.65 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.83 1g95 h PHE 181 CO -0.31 0.10 -1.29 0.93 -0.60 0.00 0.00 178.31 177.14 1g95 h GLU 182 N 0.00 0.61 0.00 1.51 5.08 -1.41 -3.24 114.58 117.13 1g95 h GLU 182 Ca -0.00 -0.85 0.00 0.00 -1.00 0.00 0.00 59.36 57.51 1g95 h GLU 182 Cb 0.57 0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1g95 h GLU 182 CO 0.01 1.39 0.00 0.00 -1.00 0.00 0.00 179.01 179.41 1g95 h ALA 183 N 0.27 1.00 0.00 3.43 0.00 -0.95 -2.91 119.26 120.10 1g95 h ALA 183 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1g95 h ALA 183 Cb 1.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1g95 h ALA 183 CO 0.25 0.00 -0.40 -0.07 0.00 0.00 0.00 179.25 179.03 1g95 h LEU 184 N 0.00 0.00 -0.54 0.00 3.38 -1.47 -3.12 115.31 113.56 1g95 h LEU 184 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1g95 h LEU 184 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1g95 h LEU 184 CO 0.00 0.40 0.00 0.11 0.09 0.00 0.00 178.44 179.04 1g95 h LYS 185 N 0.00 0.00 0.01 1.13 1.57 -1.61 -3.24 116.57 114.43 1g95 h LYS 185 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1g95 h LYS 185 Cb 1.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.41 1g95 h LYS 185 CO 0.05 0.00 -1.05 -0.91 -0.57 0.00 0.00 179.45 176.97 1g95 h ASN 186 N 0.00 0.89 -3.09 0.86 2.35 -1.68 -3.53 115.58 111.38 1g95 h ASN 186 Ca 0.00 -0.72 -0.13 0.00 -0.55 0.00 0.00 56.30 54.90 1g95 h ASN 186 Cb 0.71 -0.27 0.04 0.00 0.05 0.00 0.00 38.32 38.85 1g95 h ASN 186 CO 0.00 1.52 0.09 2.30 -1.65 0.00 0.00 177.43 179.69 1g95 n ILE 187 N -3.84 0.00 -1.78 2.81 -5.35 -1.23 -5.18 119.36 104.79 1g95 n ILE 187 Ca -0.11 -0.36 -0.39 0.00 -0.27 0.00 0.00 62.75 61.63 1g95 n ILE 187 Cb 0.89 -1.61 -0.04 0.00 -1.74 0.00 0.00 39.64 37.14 1g95 n ILE 187 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g95 n GLY 194 N 2.56 2.48 3.12 3.28 0.00 -1.26 -5.04 105.19 110.33 1g95 n GLY 194 Ca 0.05 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1g95 n GLY 194 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g95 s GLU 195 N 4.94 0.59 0.08 1.61 2.02 -1.26 -4.99 118.70 121.69 1g95 s GLU 195 Ca 0.58 -0.73 -0.29 0.00 0.02 0.00 0.00 54.97 54.55 1g95 s GLU 195 Cb 0.08 0.23 -0.05 0.00 0.10 0.00 0.00 34.13 34.49 1g95 s GLU 195 CO 0.08 -0.15 0.92 0.71 0.02 0.00 0.00 175.26 176.84 1g95 s TYR 196 N -2.53 3.78 -0.07 1.61 2.02 -1.05 -4.95 117.35 116.16 1g95 s TYR 196 Ca -0.06 1.72 0.03 0.00 -0.37 0.00 0.00 57.07 58.39 1g95 s TYR 196 Cb -0.02 -3.01 -0.02 0.00 -0.40 0.00 0.00 41.96 38.51 1g95 s TYR 196 CO -0.04 0.20 -0.15 0.71 -1.57 0.00 0.00 175.55 174.70 1g95 s TYR 197 N 0.11 2.71 0.36 2.71 2.02 -1.26 -1.39 117.35 122.61 1g95 s TYR 197 Ca 0.46 -0.31 0.39 0.00 -0.37 0.00 0.00 57.07 57.24 1g95 s TYR 197 Cb -0.22 -1.68 1.88 0.00 -0.40 0.00 0.00 41.96 41.54 1g95 s TYR 197 CO 0.28 0.07 2.17 0.97 -1.57 0.00 0.00 175.55 177.46 1g95 h ILE 198 N 4.64 0.00 0.00 2.71 6.09 -1.93 -1.46 117.51 127.56 1g95 h ILE 198 Ca -0.41 -0.26 -0.10 0.00 -1.37 0.00 0.00 64.86 62.72 1g95 h ILE 198 Cb 1.17 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 39.69 1g95 h ILE 198 CO 0.51 0.00 -0.50 0.71 -3.07 0.00 0.00 178.15 175.81 1g95 h THR 199 N 0.00 1.03 0.00 2.19 1.35 -1.98 -3.03 112.91 112.48 1g95 h THR 199 Ca 0.00 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 1g95 h THR 199 Cb 0.26 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1g95 h THR 199 CO 0.00 0.49 0.00 0.44 -0.25 0.00 0.00 175.52 176.20 1g95 h ASP 200 N 0.00 0.00 0.25 5.36 3.32 -1.68 -2.38 116.42 121.29 1g95 h ASP 200 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1g95 h ASP 200 Cb 1.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1g95 h ASP 200 CO 0.06 0.00 -0.35 0.58 -1.72 0.00 0.00 179.24 177.81 1g95 h VAL 201 N 0.00 1.28 0.00 -1.35 2.07 -1.64 -2.42 116.25 114.18 1g95 h VAL 201 Ca 0.00 -1.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.11 1g95 h VAL 201 Cb 0.32 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1g95 h VAL 201 CO 0.00 0.39 -0.37 0.16 0.02 0.00 0.00 177.57 177.78 1g95 h ILE 202 N 0.13 1.06 -0.52 4.57 3.07 -1.61 -2.67 117.51 121.54 1g95 h ILE 202 Ca 0.02 -1.36 -0.10 0.00 1.55 0.00 0.00 64.86 64.97 1g95 h ILE 202 Cb 0.69 1.78 -0.02 0.00 -0.27 0.00 0.00 36.82 39.00 1g95 h ILE 202 CO 0.05 0.36 -0.07 1.23 -1.05 0.00 0.00 178.15 178.68 1g95 h GLY 203 N 1.49 1.00 1.03 0.16 0.00 -1.55 -2.11 103.07 103.10 1g95 h GLY 203 Ca -0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 1g95 h GLY 203 CO 0.05 0.69 0.08 -2.22 0.00 0.00 0.00 176.54 175.14 1g95 h ILE 204 N 0.84 1.26 -0.11 2.60 1.08 -1.44 -2.72 117.51 119.02 1g95 h ILE 204 Ca 0.14 -1.01 -0.07 0.00 -0.39 0.00 0.00 64.86 63.53 1g95 h ILE 204 Cb 0.59 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1g95 h ILE 204 CO 0.04 0.37 -0.27 -0.26 -0.69 0.00 0.00 178.15 177.34 1g95 h PHE 205 N 0.88 0.22 -0.41 1.37 0.04 -1.32 -3.06 116.94 114.66 1g95 h PHE 205 Ca 0.18 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.82 1g95 h PHE 205 Cb 0.44 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1g95 h PHE 205 CO 0.03 0.46 -0.09 -0.09 -0.60 0.00 0.00 178.31 178.02 1g95 h ARG 206 N 0.18 0.79 -0.15 1.51 9.65 -1.09 0.19 114.38 125.46 1g95 h ARG 206 Ca 0.03 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.60 1g95 h ARG 206 Cb 0.57 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 1g95 h ARG 206 CO 0.04 0.91 0.05 0.93 2.80 0.00 0.00 179.97 184.70 1g95 h GLU 207 N 0.61 0.20 -0.02 0.20 5.08 -1.39 -0.51 114.58 118.74 1g95 h GLU 207 Ca 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1g95 h GLU 207 Cb 0.61 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1g95 h GLU 207 CO 0.04 0.17 -0.03 2.41 -1.00 0.00 0.00 179.01 180.60 1g95 n THR 208 N -4.47 0.00 -1.46 1.13 -1.04 -1.13 -4.95 114.28 102.36 1g95 n THR 208 Ca -0.01 -0.38 -0.16 0.00 -2.04 0.00 0.00 64.05 61.47 1g95 n THR 208 Cb 0.11 1.06 -0.07 0.00 -1.82 0.00 0.00 70.33 69.62 1g95 n THR 208 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1g95 n GLY 209 N 1.29 1.58 3.77 3.41 0.00 -0.20 -4.96 105.19 110.07 1g95 n GLY 209 Ca 0.16 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1g95 n GLY 209 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g95 s GLU 210 N -3.31 4.17 0.03 1.61 2.02 0.55 -4.93 118.70 118.84 1g95 s GLU 210 Ca 0.00 2.11 -0.33 0.00 0.02 0.00 0.00 54.97 56.77 1g95 s GLU 210 Cb 0.00 -2.89 -0.12 0.00 0.10 0.00 0.00 34.13 31.22 1g95 s GLU 210 CO 0.00 -0.31 1.80 1.17 0.02 0.00 0.00 175.26 177.94 1g95 n LYS 211 N 0.44 2.37 -3.95 1.61 4.81 -1.26 -4.65 118.16 117.53 1g95 n LYS 211 Ca 0.02 0.86 -0.24 0.00 -0.87 0.00 0.00 58.31 58.08 1g95 n LYS 211 Cb 0.43 -2.71 -0.17 0.00 0.02 0.00 0.00 35.03 32.60 1g95 n LYS 211 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1g95 s VAL 212 N 2.98 0.71 0.33 3.15 1.01 -1.26 -0.33 120.40 126.99 1g95 s VAL 212 Ca 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1g95 s VAL 212 Cb -0.62 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1g95 s VAL 212 CO 0.44 0.30 0.03 0.61 0.00 0.00 0.00 175.10 176.48 1g95 n GLY 213 N 4.79 3.69 3.24 4.51 0.00 -0.77 -3.80 105.19 116.84 1g95 n GLY 213 Ca -0.13 -2.31 -0.08 0.00 0.00 0.00 0.00 46.02 43.51 1g95 n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g95 s ALA 214 N -2.55 -1.25 -0.19 4.61 0.00 -1.26 -1.27 121.76 119.84 1g95 s ALA 214 Ca 0.02 1.49 -0.21 0.00 0.00 0.00 0.00 51.96 53.26 1g95 s ALA 214 Cb -0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1g95 s ALA 214 CO 0.01 -0.87 0.63 -0.47 0.00 0.00 0.00 175.76 175.06 1g95 s TYR 215 N 2.63 3.39 -0.32 0.00 5.04 -0.32 -4.89 117.35 122.88 1g95 s TYR 215 Ca 0.01 0.94 -0.16 0.00 -2.44 0.00 0.00 57.07 55.42 1g95 s TYR 215 Cb -0.13 -2.79 -0.02 0.00 0.35 0.00 0.00 41.96 39.37 1g95 s TYR 215 CO -0.14 -0.15 0.42 0.99 -1.34 0.00 0.00 175.55 175.33 1g95 s THR 216 N 1.83 5.12 0.18 4.34 2.01 -1.26 -0.79 115.64 127.06 1g95 s THR 216 Ca 0.29 0.34 -0.32 0.00 0.31 0.00 0.00 61.69 62.31 1g95 s THR 216 Cb -0.16 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.41 1g95 s THR 216 CO 0.11 -0.05 1.69 -0.76 -0.69 0.00 0.00 174.62 174.92 1g95 s LEU 217 N 2.17 4.37 0.13 4.42 1.43 0.28 -4.92 118.68 126.55 1g95 s LEU 217 Ca 0.15 2.77 -0.15 0.00 -1.03 0.00 0.00 54.13 55.88 1g95 s LEU 217 Cb -0.16 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1g95 s LEU 217 CO 0.12 -0.93 1.57 0.11 0.23 0.00 0.00 176.35 177.44 1g95 h LYS 218 N 7.12 0.71 -4.36 1.70 6.56 -1.96 -3.39 116.57 122.95 1g95 h LYS 218 Ca -0.43 -0.23 -0.73 0.00 -1.06 0.00 0.00 60.65 58.20 1g95 h LYS 218 Cb 1.20 -0.06 -0.25 0.00 -0.57 0.00 0.00 32.23 32.55 1g95 h LYS 218 CO 0.94 0.80 -0.39 0.34 -2.06 0.00 0.00 179.45 179.09 1g95 s ASP 219 N -6.22 5.90 0.23 0.86 2.15 -1.26 -4.96 116.67 113.37 1g95 s ASP 219 Ca -0.13 -1.45 -0.06 0.00 0.43 0.00 0.00 52.55 51.34 1g95 s ASP 219 Cb 0.10 -2.09 0.36 0.00 -0.30 0.00 0.00 42.92 40.99 1g95 s ASP 219 CO 0.80 -0.61 1.79 0.15 -0.17 0.00 0.00 175.17 177.13 1g95 h PHE 220 N 8.59 0.71 -0.04 -5.34 3.57 -1.85 -1.71 116.94 120.88 1g95 h PHE 220 Ca -0.26 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.28 1g95 h PHE 220 Cb 1.10 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1g95 h PHE 220 CO 0.63 0.27 0.08 -0.44 -2.23 0.00 0.00 178.31 176.61 1g95 h ASP 221 N 0.66 0.00 0.69 0.41 3.32 -1.94 0.12 116.42 119.69 1g95 h ASP 221 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1g95 h ASP 221 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1g95 h ASP 221 CO -0.26 0.00 0.00 -0.08 -1.72 0.00 0.00 179.24 177.18 1g95 h GLU 222 N 0.00 0.00 -0.02 3.56 4.81 -1.65 -2.67 114.58 118.61 1g95 h GLU 222 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1g95 h GLU 222 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1g95 h GLU 222 CO -0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.15 1g95 n SER 223 N -2.68 1.17 -4.55 1.04 3.41 0.42 -2.81 113.62 109.63 1g95 n SER 223 Ca 0.01 -1.40 -0.56 0.00 -0.26 0.00 0.00 58.87 56.66 1g95 n SER 223 Cb 0.22 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 1g95 n SER 223 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1g95 n LEU 224 N -0.08 0.79 -4.23 1.04 7.94 -1.01 -4.97 117.00 116.49 1g95 n LEU 224 Ca 0.20 1.14 -0.35 0.00 -1.11 0.00 0.00 56.01 55.89 1g95 n LEU 224 Cb 0.30 -1.05 -0.14 0.00 0.53 0.00 0.00 43.42 43.06 1g95 n LEU 224 CO 0.17 -1.49 -0.38 -0.83 -1.11 0.00 0.00 177.39 173.75 1g95 s GLY 225 N 0.27 1.67 -0.43 -3.96 0.00 -1.26 -4.28 107.32 99.32 1g95 s GLY 225 Ca 0.88 -1.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.83 1g95 s GLY 225 CO 0.52 0.56 1.28 0.14 0.00 0.00 0.00 173.10 175.60 1g95 s VAL 226 N 1.35 4.06 -0.07 1.40 1.01 -0.12 -4.84 120.40 123.20 1g95 s VAL 226 Ca 0.00 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.15 1g95 s VAL 226 Cb -0.17 -4.38 -0.11 0.00 0.00 0.00 0.00 36.38 31.72 1g95 s VAL 226 CO -0.03 -0.85 0.19 0.59 0.00 0.00 0.00 175.10 175.00 1g95 n ASN 227 N 8.29 2.77 -3.19 3.32 3.02 -1.26 -4.94 115.26 123.28 1g95 n ASN 227 Ca 0.14 -0.12 -0.16 0.00 -0.03 0.00 0.00 54.58 54.41 1g95 n ASN 227 Cb 0.48 1.27 -0.05 0.00 -0.61 0.00 0.00 39.78 40.88 1g95 n ASN 227 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1g95 s ASP 228 N -2.62 1.16 0.47 6.41 1.47 -1.26 -3.67 116.67 118.62 1g95 s ASP 228 Ca -0.02 -1.58 0.30 0.00 1.18 0.00 0.00 52.55 52.44 1g95 s ASP 228 Cb 0.05 0.66 1.14 0.00 -0.34 0.00 0.00 42.92 44.43 1g95 s ASP 228 CO 0.30 -1.28 1.88 0.03 0.68 0.00 0.00 175.17 176.78 1g95 h ARG 229 N 2.09 0.00 -0.09 2.11 3.08 -1.87 -2.04 114.38 117.65 1g95 h ARG 229 Ca -0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1g95 h ARG 229 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 1g95 h ARG 229 CO 0.38 0.00 0.02 0.28 -1.07 0.00 0.00 179.97 179.58 1g95 h VAL 230 N 0.00 1.20 0.00 2.04 2.07 -1.96 -1.06 116.25 118.53 1g95 h VAL 230 Ca 0.00 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 1g95 h VAL 230 Cb 0.56 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1g95 h VAL 230 CO 0.00 0.17 -0.53 0.00 0.02 0.00 0.00 177.57 177.24 1g95 h ALA 231 N 0.81 1.07 -0.37 1.67 0.00 -1.90 -2.53 119.26 118.02 1g95 h ALA 231 Ca 0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1g95 h ALA 231 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1g95 h ALA 231 CO 0.00 0.66 0.18 1.25 0.00 0.00 0.00 179.25 181.34 1g95 h LEU 232 N 0.00 0.48 -1.22 0.00 5.85 -0.98 -0.35 115.31 119.08 1g95 h LEU 232 Ca -0.01 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1g95 h LEU 232 Cb 0.96 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1g95 h LEU 232 CO 0.07 0.47 0.14 0.00 -0.34 0.00 0.00 178.44 178.78 1g95 h ALA 233 N 1.03 1.38 -0.64 1.25 0.00 -0.99 -0.18 119.26 121.11 1g95 h ALA 233 Ca 0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1g95 h ALA 233 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1g95 h ALA 233 CO -0.02 0.45 0.05 1.15 0.00 0.00 0.00 179.25 180.89 1g95 h THR 234 N 0.67 1.26 -0.38 0.00 2.02 -0.99 0.13 112.91 115.62 1g95 h THR 234 Ca 0.16 -1.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 1g95 h THR 234 Cb 0.20 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1g95 h THR 234 CO -0.01 0.41 0.13 0.00 0.37 0.00 0.00 175.52 176.42 1g95 h ALA 235 N 1.04 0.50 -0.87 6.16 0.00 -0.39 -1.03 119.26 124.67 1g95 h ALA 235 Ca 0.19 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1g95 h ALA 235 Cb 0.50 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1g95 h ALA 235 CO 0.02 0.13 0.51 1.49 0.00 0.00 0.00 179.25 181.40 1g95 h GLU 236 N 0.47 0.81 0.21 0.00 4.57 -0.49 0.16 114.58 120.32 1g95 h GLU 236 Ca 0.13 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1g95 h GLU 236 Cb 0.24 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1g95 h GLU 236 CO -0.01 0.54 -0.10 1.03 -1.18 0.00 0.00 179.01 179.29 1g95 h SER 237 N 0.83 -0.24 -0.27 1.04 0.87 -0.18 0.14 113.55 115.74 1g95 h SER 237 Ca 0.42 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1g95 h SER 237 Cb 0.40 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1g95 h SER 237 CO -0.26 -0.05 0.12 0.58 -0.53 0.00 0.00 176.83 176.69 1g95 h VAL 238 N -0.42 1.16 -0.74 2.23 2.07 -0.82 -2.22 116.25 117.51 1g95 h VAL 238 Ca -0.03 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1g95 h VAL 238 Cb 0.32 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1g95 h VAL 238 CO 0.05 0.16 0.23 -0.03 0.02 0.00 0.00 177.57 178.01 1g95 h MET 239 N 0.30 1.14 -0.21 1.57 -1.53 -0.94 -0.88 114.93 114.39 1g95 h MET 239 Ca 0.09 -0.24 -0.00 0.00 -3.44 0.00 0.00 59.70 56.11 1g95 h MET 239 Cb 0.15 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 31.02 1g95 h MET 239 CO -0.01 0.97 0.13 -0.09 0.14 0.00 0.00 176.91 178.05 1g95 h ARG 240 N 1.10 0.28 -0.58 0.39 2.43 -0.60 -1.56 114.38 115.84 1g95 h ARG 240 Ca 0.24 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1g95 h ARG 240 Cb 0.30 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1g95 h ARG 240 CO -0.01 0.22 0.25 -0.09 -1.51 0.00 0.00 179.97 178.83 1g95 h ARG 241 N 0.26 0.84 0.30 0.20 2.43 -1.21 -2.08 114.38 115.13 1g95 h ARG 241 Ca 0.08 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1g95 h ARG 241 Cb 0.01 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1g95 h ARG 241 CO -0.01 0.71 -0.25 -0.09 -1.51 0.00 0.00 179.97 178.81 1g95 h ARG 242 N 0.79 -0.55 -0.24 0.20 2.43 -0.89 -0.46 114.38 115.65 1g95 h ARG 242 Ca 0.20 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1g95 h ARG 242 Cb 0.16 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1g95 h ARG 242 CO -0.02 -0.37 0.06 0.82 -1.51 0.00 0.00 179.97 178.95 1g95 h ILE 243 N -0.57 0.91 0.00 1.20 2.04 -1.23 -2.34 117.51 117.51 1g95 h ILE 243 Ca -0.02 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 1g95 h ILE 243 Cb 0.51 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1g95 h ILE 243 CO -0.03 0.03 -0.31 0.78 0.00 0.00 0.00 178.15 178.63 1g95 h ASN 244 N 0.16 0.00 0.12 1.72 2.35 -1.27 -2.30 115.58 116.35 1g95 h ASN 244 Ca 0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1g95 h ASN 244 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1g95 h ASN 244 CO -0.13 0.31 -0.06 -0.74 -1.65 0.00 0.00 177.43 175.16 1g95 h HIS 245 N 0.00 -0.14 -0.35 1.19 2.76 -0.71 -1.25 115.15 116.65 1g95 h HIS 245 Ca -0.00 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1g95 h HIS 245 Cb 0.62 0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.56 1g95 h HIS 245 CO 0.00 0.14 -0.11 -0.22 -1.30 0.00 0.00 177.93 176.44 1g95 h LYS 246 N -0.43 -0.03 -0.49 5.26 3.64 -1.16 -0.66 116.57 122.70 1g95 h LYS 246 Ca -0.02 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1g95 h LYS 246 Cb 0.35 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1g95 h LYS 246 CO 0.03 -0.02 0.26 0.45 -2.27 0.00 0.00 179.45 177.89 1g95 h HIS 247 N -0.03 0.47 -0.67 1.91 3.86 -1.35 -0.20 115.15 119.14 1g95 h HIS 247 Ca 0.17 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1g95 h HIS 247 Cb 0.30 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 1g95 h HIS 247 CO -0.34 0.24 0.43 0.52 0.86 0.00 0.00 177.93 179.64 1g95 h MET 248 N 0.50 0.88 -0.04 2.45 2.86 -0.39 -0.16 114.93 121.04 1g95 h MET 248 Ca 0.21 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1g95 h MET 248 Cb 0.11 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1g95 h MET 248 CO -0.14 0.59 -0.46 0.28 1.06 0.00 0.00 176.91 178.24 1g95 h VAL 249 N 0.91 1.33 0.00 -2.22 2.07 -0.25 -2.37 116.25 115.72 1g95 h VAL 249 Ca 0.24 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1g95 h VAL 249 Cb -0.09 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1g95 h VAL 249 CO -0.05 0.46 0.00 0.59 0.02 0.00 0.00 177.57 178.59 1g95 n ASN 250 N -3.99 0.00 0.00 0.57 3.02 -0.15 -4.87 115.26 109.84 1g95 n ASN 250 Ca -0.02 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.80 1g95 n ASN 250 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1g95 n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g95 n GLY 251 N 0.60 1.00 3.44 7.41 0.00 -0.89 -4.18 105.19 112.57 1g95 n GLY 251 Ca 0.06 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1g95 n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g95 s VAL 252 N -2.00 3.78 0.10 1.61 1.01 -0.76 0.43 120.40 124.58 1g95 s VAL 252 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 1g95 s VAL 252 Cb 0.00 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 1g95 s VAL 252 CO 0.00 0.46 0.72 -0.44 0.00 0.00 0.00 175.10 175.84 1g95 s SER 253 N 0.81 7.26 -0.11 3.32 0.01 -0.81 -3.90 113.70 120.28 1g95 s SER 253 Ca -0.01 1.49 0.01 0.00 1.31 0.00 0.00 55.95 58.75 1g95 s SER 253 Cb -0.14 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.65 1g95 s SER 253 CO 0.02 0.16 -0.13 -0.36 0.41 0.00 0.00 173.24 173.34 1g95 s PHE 254 N -0.78 1.81 0.15 2.43 0.40 -1.26 -1.18 117.98 119.56 1g95 s PHE 254 Ca 0.35 -0.89 -0.12 0.00 -0.60 0.00 0.00 56.93 55.67 1g95 s PHE 254 Cb -0.21 -1.36 0.01 0.00 0.51 0.00 0.00 43.02 41.97 1g95 s PHE 254 CO 0.23 -0.50 1.58 0.28 0.70 0.00 0.00 175.22 177.51 1g95 h VAL 255 N 6.04 1.27 -2.07 -0.44 2.07 -1.69 -3.39 116.25 118.03 1g95 h VAL 255 Ca -0.32 -1.17 -0.43 0.00 0.82 0.00 0.00 66.70 65.60 1g95 h VAL 255 Cb 1.16 1.03 -0.33 0.00 -1.52 0.00 0.00 31.29 31.63 1g95 h VAL 255 CO 0.47 0.41 -0.74 0.21 0.02 0.00 0.00 177.57 177.94 1g95 s ASN 256 N -6.46 1.42 0.66 0.57 2.47 -1.26 -4.92 114.94 107.42 1g95 s ASN 256 Ca -0.12 -1.89 0.43 0.00 0.42 0.00 0.00 52.86 51.70 1g95 s ASN 256 Cb 0.12 0.33 2.36 0.00 -1.45 0.00 0.00 41.25 42.60 1g95 s ASN 256 CO 0.83 -0.25 2.36 1.55 -3.72 0.00 0.00 177.10 177.87 1g95 h PRO 257 N 6.77 0.00 0.00 0.43 0.13 -1.94 -0.47 132.00 136.92 1g95 h PRO 257 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1g95 h PRO 257 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1g95 h PRO 257 CO 0.22 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 178.92 1g95 h GLU 258 N 0.00 0.00 -0.67 0.86 4.39 -1.95 -3.32 114.58 113.88 1g95 h GLU 258 Ca -0.00 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.31 1g95 h GLU 258 Cb 0.02 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.26 1g95 h GLU 258 CO 0.00 0.00 -0.98 0.00 -1.16 0.00 0.00 179.01 176.87 1g95 n ALA 259 N -1.90 3.77 -3.45 3.43 0.00 -0.20 -5.02 120.51 117.15 1g95 n ALA 259 Ca 0.04 -3.29 -0.23 0.00 0.00 0.00 0.00 53.44 49.96 1g95 n ALA 259 Cb 0.43 -0.64 -0.16 0.00 0.00 0.00 0.00 19.45 19.08 1g95 n ALA 259 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1g95 s THR 260 N -4.18 0.93 -0.58 0.00 2.01 -1.16 -0.49 115.64 112.16 1g95 s THR 260 Ca 0.38 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 1g95 s THR 260 Cb 0.37 -0.87 0.15 0.00 0.01 0.00 0.00 72.50 72.17 1g95 s THR 260 CO -0.01 0.31 0.43 -0.31 -0.69 0.00 0.00 174.62 174.35 1g95 s TYR 261 N 0.66 3.49 -0.22 4.92 2.02 -0.04 -4.97 117.35 123.22 1g95 s TYR 261 Ca -0.12 -2.35 -0.02 0.00 -0.37 0.00 0.00 57.07 54.20 1g95 s TYR 261 Cb -0.15 -3.37 0.01 0.00 -0.40 0.00 0.00 41.96 38.05 1g95 s TYR 261 CO 0.02 -0.92 -0.08 0.42 -1.57 0.00 0.00 175.55 173.42 1g95 s ILE 262 N 0.51 2.96 0.75 2.71 1.01 -1.26 -1.02 121.20 126.87 1g95 s ILE 262 Ca 0.13 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 1g95 s ILE 262 Cb -0.21 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 39.94 1g95 s ILE 262 CO -0.04 0.39 1.22 -1.81 0.00 0.00 0.00 174.94 174.70 1g95 s ASP 263 N 1.40 3.99 0.40 3.58 1.01 -0.01 -4.91 116.67 122.12 1g95 s ASP 263 Ca 0.04 2.40 0.19 0.00 0.71 0.00 0.00 52.55 55.90 1g95 s ASP 263 Cb -0.15 -2.59 1.14 0.00 1.01 0.00 0.00 42.92 42.33 1g95 s ASP 263 CO -0.06 -2.40 1.74 -0.29 0.21 0.00 0.00 175.17 174.37 1g95 h ILE 264 N -0.44 0.44 -0.40 0.77 6.09 -0.56 -2.49 117.51 120.92 1g95 h ILE 264 Ca -0.47 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.89 1g95 h ILE 264 Cb 1.30 0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.65 1g95 h ILE 264 CO 0.49 0.06 0.00 0.47 -3.07 0.00 0.00 178.15 176.10 1g95 n ASP 265 N -4.68 3.44 -4.77 2.19 8.00 -1.26 -4.98 116.55 114.48 1g95 n ASP 265 Ca 0.28 -1.97 -0.41 0.00 0.71 0.00 0.00 54.79 53.40 1g95 n ASP 265 Cb 0.97 -0.26 -0.01 0.00 -0.02 0.00 0.00 41.12 41.80 1g95 n ASP 265 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1g95 s VAL 266 N -1.39 2.42 -0.15 2.53 1.01 -0.94 -4.74 120.40 119.14 1g95 s VAL 266 Ca 0.38 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 1g95 s VAL 266 Cb 0.22 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1g95 s VAL 266 CO 0.30 0.09 -0.10 -1.61 0.00 0.00 0.00 175.10 173.79 1g95 s GLU 267 N -1.99 3.45 -0.07 2.72 2.02 -0.19 -5.02 118.70 119.61 1g95 s GLU 267 Ca 0.52 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.87 1g95 s GLU 267 Cb -0.42 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.08 1g95 s GLU 267 CO 0.56 0.16 -0.06 0.42 0.02 0.00 0.00 175.26 176.36 1g95 s ILE 268 N 0.52 0.73 0.86 -1.63 1.01 -1.26 0.18 121.20 121.61 1g95 s ILE 268 Ca -0.07 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 1g95 s ILE 268 Cb -0.15 -0.76 0.11 0.00 0.01 0.00 0.00 42.46 41.67 1g95 s ILE 268 CO 0.04 0.29 1.13 0.00 0.00 0.00 0.00 174.94 176.39 1g95 s ALA 269 N 1.25 2.04 0.72 9.38 0.00 -0.34 -4.98 121.76 129.83 1g95 s ALA 269 Ca -0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 1g95 s ALA 269 Cb -0.14 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 19.96 1g95 s ALA 269 CO -0.02 -2.03 1.07 -1.54 0.00 0.00 0.00 175.76 173.25 1g95 s SER 270 N -4.07 5.03 0.00 0.00 1.04 -1.26 -3.47 113.70 110.98 1g95 s SER 270 Ca 0.63 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1g95 s SER 270 Cb -0.14 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1g95 s SER 270 CO 0.53 -1.68 0.00 -0.62 0.98 0.00 0.00 173.24 172.45 1g95 n GLU 271 N -3.23 -0.22 -2.21 4.02 1.02 0.17 -2.75 120.64 117.44 1g95 n GLU 271 Ca 0.08 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 1g95 n GLU 271 Cb 0.53 -3.56 -0.03 0.00 -0.02 0.00 0.00 31.44 28.36 1g95 n GLU 271 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1g95 s VAL 272 N -2.33 3.43 -0.25 2.62 1.01 -1.23 -3.95 120.40 119.71 1g95 s VAL 272 Ca 0.00 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 1g95 s VAL 272 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1g95 s VAL 272 CO 0.00 0.07 0.08 -1.10 0.00 0.00 0.00 175.10 174.16 1g95 s GLN 273 N 1.17 3.71 -0.20 2.72 -0.21 -0.68 -1.92 119.66 124.25 1g95 s GLN 273 Ca 0.64 -0.45 0.01 0.00 0.02 0.00 0.00 55.36 55.58 1g95 s GLN 273 Cb -0.35 -3.35 0.03 0.00 1.00 0.00 0.00 33.01 30.34 1g95 s GLN 273 CO 0.30 -0.15 -0.17 0.42 -2.12 0.00 0.00 175.29 173.56 1g95 s ILE 274 N 1.53 2.04 0.84 1.08 1.01 -0.32 -1.28 121.20 126.11 1g95 s ILE 274 Ca 0.06 -1.10 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 1g95 s ILE 274 Cb -0.15 -1.94 0.10 0.00 0.01 0.00 0.00 42.46 40.48 1g95 s ILE 274 CO 0.04 0.38 1.12 -1.61 0.00 0.00 0.00 174.94 174.87 1g95 s GLU 275 N 1.26 1.73 0.81 2.79 2.02 -0.48 -2.05 118.70 124.78 1g95 s GLU 275 Ca 0.01 0.46 -0.12 0.00 0.02 0.00 0.00 54.97 55.34 1g95 s GLU 275 Cb -0.15 -1.89 0.09 0.00 0.10 0.00 0.00 34.13 32.28 1g95 s GLU 275 CO -0.11 -1.83 1.16 0.00 0.02 0.00 0.00 175.26 174.50 1g95 s ALA 276 N -3.24 1.88 -1.37 5.21 0.00 -1.26 -3.80 121.76 119.18 1g95 s ALA 276 Ca 0.62 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 1g95 s ALA 276 Cb -0.14 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1g95 s ALA 276 CO 0.53 -2.21 0.36 -1.71 0.00 0.00 0.00 175.76 172.73 1g95 n ASN 277 N -3.51 -5.34 -4.86 0.00 5.15 0.35 -3.82 115.26 103.24 1g95 n ASN 277 Ca 0.12 -0.18 -0.37 0.00 -0.60 0.00 0.00 54.58 53.55 1g95 n ASN 277 Cb 0.52 -4.24 -0.06 0.00 -0.53 0.00 0.00 39.78 35.46 1g95 n ASN 277 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1g95 s VAL 278 N -3.02 5.40 -0.15 3.44 1.01 -1.25 -1.05 120.40 124.78 1g95 s VAL 278 Ca 0.18 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1g95 s VAL 278 Cb -0.08 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1g95 s VAL 278 CO 0.22 0.60 -0.19 -0.89 0.00 0.00 0.00 175.10 174.84 1g95 s THR 279 N -0.97 2.27 -0.19 3.92 2.01 0.17 -0.86 115.64 121.99 1g95 s THR 279 Ca 0.17 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.27 1g95 s THR 279 Cb -0.13 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.49 1g95 s THR 279 CO 0.06 0.53 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.70 1g95 s LEU 280 N 0.92 1.92 0.21 4.42 1.43 -0.19 -0.12 118.68 127.27 1g95 s LEU 280 Ca -0.04 -0.80 0.11 0.00 -1.03 0.00 0.00 54.13 52.36 1g95 s LEU 280 Cb -0.15 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1g95 s LEU 280 CO -0.03 -0.18 -0.19 -0.54 0.23 0.00 0.00 176.35 175.63 1g95 s LYS 281 N 1.54 1.72 5.26 1.70 1.02 0.20 -0.83 119.74 130.35 1g95 s LYS 281 Ca -0.01 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.49 1g95 s LYS 281 Cb -0.16 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1g95 s LYS 281 CO -0.08 0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 1g95 n GLY 282 N 0.02 2.27 2.72 -3.33 0.00 -1.26 -1.79 105.19 103.81 1g95 n GLY 282 Ca -0.11 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1g95 n GLY 282 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g95 n GLN 283 N 9.17 3.28 -4.26 1.61 1.13 -1.26 -4.07 117.38 122.98 1g95 n GLN 283 Ca 0.00 -2.92 -0.35 0.00 -1.94 0.00 0.00 57.00 51.79 1g95 n GLN 283 Cb 0.00 -3.09 -0.09 0.00 0.11 0.00 0.00 30.24 27.17 1g95 n GLN 283 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1g95 s THR 284 N 1.93 4.52 -0.03 5.09 2.01 -1.25 -3.27 115.64 124.63 1g95 s THR 284 Ca 0.47 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.35 1g95 s THR 284 Cb 0.13 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1g95 s THR 284 CO -0.06 0.58 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.74 1g95 s LYS 285 N -0.67 1.63 -0.15 4.92 1.02 -0.30 -1.02 119.74 125.17 1g95 s LYS 285 Ca 0.11 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.50 1g95 s LYS 285 Cb -0.12 -1.48 0.02 0.00 -0.52 0.00 0.00 37.83 35.73 1g95 s LYS 285 CO 0.02 0.30 -0.19 0.42 -0.92 0.00 0.00 175.35 174.99 1g95 s ILE 286 N -0.15 1.88 0.90 2.17 -1.09 0.13 -0.60 121.20 124.44 1g95 s ILE 286 Ca 0.01 -0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 57.47 1g95 s ILE 286 Cb -0.10 -1.70 0.13 0.00 -1.58 0.00 0.00 42.46 39.22 1g95 s ILE 286 CO 0.01 0.51 1.10 -0.83 -1.23 0.00 0.00 174.94 174.50 1g95 s GLY 287 N 1.18 1.60 0.39 6.18 0.00 0.29 -1.20 107.32 115.76 1g95 s GLY 287 Ca 0.01 -0.23 -0.28 0.00 0.00 0.00 0.00 44.72 44.22 1g95 s GLY 287 CO -0.08 0.28 1.48 0.00 0.00 0.00 0.00 173.10 174.78 1g95 n ALA 288 N -3.84 2.33 -0.63 3.20 0.00 -1.26 -3.09 120.51 117.22 1g95 n ALA 288 Ca 0.06 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1g95 n ALA 288 Cb 0.56 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1g95 n ALA 288 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1g95 n GLU 289 N 0.36 0.00 -1.94 0.00 1.02 -1.11 -1.21 120.64 117.76 1g95 n GLU 289 Ca 0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 1g95 n GLU 289 Cb 0.39 -3.71 -0.02 0.00 -0.02 0.00 0.00 31.44 28.09 1g95 n GLU 289 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1g95 s THR 290 N -2.08 2.41 -0.17 2.62 2.01 -1.18 -4.44 115.64 114.81 1g95 s THR 290 Ca 0.00 0.37 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 1g95 s THR 290 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1g95 s THR 290 CO 0.00 0.07 0.06 -0.69 -0.69 0.00 0.00 174.62 173.37 1g95 s VAL 291 N -0.55 4.77 -0.14 3.82 1.01 0.22 -1.68 120.40 127.85 1g95 s VAL 291 Ca 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1g95 s VAL 291 Cb -0.44 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1g95 s VAL 291 CO 0.51 0.48 -0.14 -0.76 0.00 0.00 0.00 175.10 175.20 1g95 s LEU 292 N 0.21 1.63 0.39 3.92 1.43 -0.41 -0.91 118.68 124.95 1g95 s LEU 292 Ca 0.04 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1g95 s LEU 292 Cb -0.12 -1.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 1g95 s LEU 292 CO 0.00 -0.05 0.57 0.42 0.23 0.00 0.00 176.35 177.52 1g95 s THR 293 N 1.44 3.99 -0.16 5.49 -4.23 -0.68 -1.39 115.64 120.10 1g95 s THR 293 Ca 0.03 -0.76 -0.39 0.00 -1.18 0.00 0.00 61.69 59.39 1g95 s THR 293 Cb -0.13 -3.42 -0.16 0.00 1.34 0.00 0.00 72.50 70.12 1g95 s THR 293 CO -0.09 -0.23 1.59 -3.20 -0.54 0.00 0.00 174.62 172.15 1g95 n ASN 294 N -1.86 2.02 0.00 3.99 2.85 -1.25 -1.63 115.26 119.39 1g95 n ASN 294 Ca 0.01 1.10 0.00 0.00 -0.11 0.00 0.00 54.58 55.57 1g95 n ASN 294 Cb 0.58 -1.14 0.00 0.00 1.24 0.00 0.00 39.78 40.46 1g95 n ASN 294 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1g95 n GLY 295 N 3.56 2.68 3.72 8.20 0.00 -0.21 -4.19 105.19 118.94 1g95 n GLY 295 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1g95 n GLY 295 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g95 s THR 296 N -2.76 2.09 -0.19 2.61 2.01 -0.64 -4.41 115.64 114.35 1g95 s THR 296 Ca 0.00 0.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 1g95 s THR 296 Cb 0.00 -3.04 0.05 0.00 0.01 0.00 0.00 72.50 69.51 1g95 s THR 296 CO 0.00 0.01 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.41 1g95 s TYR 297 N 1.01 1.96 -0.12 4.92 6.14 0.27 -0.66 117.35 130.87 1g95 s TYR 297 Ca 0.73 -1.31 0.03 0.00 0.64 0.00 0.00 57.07 57.16 1g95 s TYR 297 Cb -0.49 -1.42 0.01 0.00 0.42 0.00 0.00 41.96 40.48 1g95 s TYR 297 CO 0.34 -0.67 -0.22 0.08 0.64 0.00 0.00 175.55 175.72 1g95 s VAL 298 N 1.55 1.97 -0.14 3.14 1.01 0.83 -1.19 120.40 127.56 1g95 s VAL 298 Ca -0.01 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1g95 s VAL 298 Cb -0.16 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1g95 s VAL 298 CO -0.08 0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 174.70 1g95 s VAL 299 N 0.66 1.74 -1.26 2.92 1.01 -0.09 0.59 120.40 125.97 1g95 s VAL 299 Ca -0.11 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 1g95 s VAL 299 Cb -0.16 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1g95 s VAL 299 CO 0.02 0.49 0.60 0.47 0.00 0.00 0.00 175.10 176.68 1g95 n ASP 300 N 4.48 -3.40 -4.09 3.32 8.00 -0.74 -0.86 116.55 123.26 1g95 n ASP 300 Ca -0.19 -1.17 -0.10 0.00 0.71 0.00 0.00 54.79 54.04 1g95 n ASP 300 Cb 0.51 -2.37 -0.10 0.00 -0.02 0.00 0.00 41.12 39.13 1g95 n ASP 300 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1g95 s SER 301 N -3.72 0.74 -0.11 -2.24 0.01 -1.20 -3.17 113.70 103.99 1g95 s SER 301 Ca 0.37 -0.82 -0.01 0.00 1.31 0.00 0.00 55.95 56.80 1g95 s SER 301 Cb -0.17 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 1g95 s SER 301 CO 0.93 -0.42 -0.08 0.42 0.41 0.00 0.00 173.24 174.50 1g95 s THR 302 N -2.86 3.51 -0.11 1.44 -4.23 -0.97 -1.15 115.64 111.26 1g95 s THR 302 Ca 0.01 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1g95 s THR 302 Cb 0.00 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.39 1g95 s THR 302 CO -0.05 0.54 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.84 1g95 s ILE 303 N -0.07 1.22 0.00 2.99 1.01 0.23 -0.07 121.20 126.51 1g95 s ILE 303 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1g95 s ILE 303 Cb -0.13 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1g95 s ILE 303 CO 0.03 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1g95 n GLY 304 N 4.65 -2.86 3.88 6.18 0.00 0.23 0.11 105.19 117.38 1g95 n GLY 304 Ca -0.16 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1g95 n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g95 s ALA 305 N -2.66 3.39 -0.75 4.61 0.00 -1.26 -3.21 121.76 121.88 1g95 s ALA 305 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1g95 s ALA 305 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1g95 s ALA 305 CO 0.00 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1g95 n GLY 306 N -1.43 0.76 3.86 0.00 0.00 -0.35 -1.59 105.19 106.44 1g95 n GLY 306 Ca 0.02 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1g95 n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g95 s ALA 307 N -1.79 3.23 -0.19 4.61 0.00 -1.26 -3.91 121.76 122.46 1g95 s ALA 307 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1g95 s ALA 307 Cb 0.00 -2.88 0.04 0.00 0.00 0.00 0.00 23.12 20.29 1g95 s ALA 307 CO 0.00 -0.10 -0.08 0.08 0.00 0.00 0.00 175.76 175.65 1g95 s VAL 308 N -2.47 1.47 -0.40 0.00 1.01 0.09 -0.61 120.40 119.49 1g95 s VAL 308 Ca 0.54 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1g95 s VAL 308 Cb -0.10 -1.59 0.10 0.00 0.00 0.00 0.00 36.38 34.79 1g95 s VAL 308 CO 0.31 0.14 0.19 -0.63 0.00 0.00 0.00 175.10 175.11 1g95 s ILE 309 N 1.47 3.35 -0.39 2.22 -1.09 -0.08 -0.51 121.20 126.17 1g95 s ILE 309 Ca -0.01 -1.92 -0.17 0.00 -2.23 0.00 0.00 60.65 56.32 1g95 s ILE 309 Cb -0.16 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.49 1g95 s ILE 309 CO -0.08 -0.61 0.44 -0.89 -1.23 0.00 0.00 174.94 172.57 1g95 s THR 310 N 1.18 5.08 -1.12 2.92 2.01 0.14 -1.69 115.64 124.16 1g95 s THR 310 Ca 0.06 -0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.72 1g95 s THR 310 Cb -0.23 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.34 1g95 s THR 310 CO -0.03 -0.31 0.48 -3.20 -0.69 0.00 0.00 174.62 170.87 1g95 n ASN 311 N 5.61 -2.72 -4.36 3.53 2.85 -1.26 -3.81 115.26 115.11 1g95 n ASN 311 Ca -0.07 -1.15 -0.18 0.00 -0.11 0.00 0.00 54.58 53.07 1g95 n ASN 311 Cb 0.48 -1.38 -0.10 0.00 1.24 0.00 0.00 39.78 40.01 1g95 n ASN 311 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1g95 s SER 312 N -3.81 1.87 -0.15 1.20 0.01 -1.26 -0.72 113.70 110.83 1g95 s SER 312 Ca 0.35 -1.28 0.02 0.00 1.31 0.00 0.00 55.95 56.35 1g95 s SER 312 Cb -0.20 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.05 1g95 s SER 312 CO 0.86 -0.56 -0.20 -0.32 0.41 0.00 0.00 173.24 173.43 1g95 s MET 313 N -3.89 3.07 -0.16 12.44 1.75 -0.66 -0.56 119.30 131.28 1g95 s MET 313 Ca 0.32 -0.82 -0.00 0.00 -1.25 0.00 0.00 55.69 53.94 1g95 s MET 313 Cb 0.07 -2.52 0.04 0.00 2.84 0.00 0.00 34.83 35.25 1g95 s MET 313 CO 0.11 -0.04 -0.08 0.42 -0.65 0.00 0.00 175.02 174.78 1g95 s ILE 314 N 0.91 1.27 -0.04 10.11 1.01 -0.34 -0.06 121.20 134.06 1g95 s ILE 314 Ca -0.04 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.02 1g95 s ILE 314 Cb -0.15 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 1g95 s ILE 314 CO -0.03 0.23 -0.21 -1.61 0.00 0.00 0.00 174.94 173.31 1g95 s GLU 315 N 1.58 2.31 -0.44 2.79 2.02 0.40 -0.91 118.70 126.44 1g95 s GLU 315 Ca 0.02 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 54.09 1g95 s GLU 315 Cb -0.15 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 31.91 1g95 s GLU 315 CO -0.08 0.57 0.27 0.39 0.02 0.00 0.00 175.26 176.43 1g95 n GLU 316 N 2.44 -0.68 -4.06 1.61 1.02 -0.04 -2.91 120.64 118.02 1g95 n GLU 316 Ca -0.17 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 56.86 1g95 n GLU 316 Cb 0.52 -0.69 -0.07 0.00 -0.02 0.00 0.00 31.44 31.17 1g95 n GLU 316 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1g95 s SER 317 N -3.49 -0.02 -0.02 1.62 0.01 -1.24 -0.10 113.70 110.47 1g95 s SER 317 Ca 0.12 -1.07 0.08 0.00 1.31 0.00 0.00 55.95 56.39 1g95 s SER 317 Cb -0.07 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 1g95 s SER 317 CO 0.40 -1.05 -0.25 -0.94 0.41 0.00 0.00 173.24 171.81 1g95 s SER 318 N -3.06 3.11 -0.20 2.44 1.04 -0.31 -2.29 113.70 114.43 1g95 s SER 318 Ca 0.27 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 1g95 s SER 318 Cb 0.02 -0.36 0.06 0.00 0.10 0.00 0.00 66.02 65.83 1g95 s SER 318 CO 0.10 0.32 -0.02 -0.69 0.98 0.00 0.00 173.24 173.93 1g95 s VAL 319 N -0.63 1.04 0.51 5.02 1.01 0.90 -1.57 120.40 126.69 1g95 s VAL 319 Ca 0.10 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 1g95 s VAL 319 Cb -0.10 -1.38 0.13 0.00 0.00 0.00 0.00 36.38 35.03 1g95 s VAL 319 CO -0.01 -0.09 0.39 0.00 0.00 0.00 0.00 175.10 175.39 1g95 n ALA 320 N 4.86 -1.59 -1.65 5.51 0.00 -0.33 0.76 120.51 128.07 1g95 n ALA 320 Ca -0.11 -0.62 -0.33 0.00 0.00 0.00 0.00 53.44 52.39 1g95 n ALA 320 Cb 0.46 -0.05 0.01 0.00 0.00 0.00 0.00 19.45 19.88 1g95 n ALA 320 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g95 s ASP 321 N -2.57 5.73 0.00 0.00 1.11 -1.26 -3.69 116.67 115.98 1g95 s ASP 321 Ca 0.27 1.81 0.00 0.00 0.18 0.00 0.00 52.55 54.81 1g95 s ASP 321 Cb -0.03 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1g95 s ASP 321 CO 0.21 -1.20 0.00 0.61 1.18 0.00 0.00 175.17 175.97 1g95 n GLY 322 N -1.03 0.37 3.73 0.21 0.00 -0.62 -1.42 105.19 106.43 1g95 n GLY 322 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1g95 n GLY 322 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g95 s VAL 323 N -2.08 2.96 -0.21 1.61 1.01 -1.25 -3.91 120.40 118.54 1g95 s VAL 323 Ca 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 1g95 s VAL 323 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1g95 s VAL 323 CO 0.00 0.10 -0.08 -0.63 0.00 0.00 0.00 175.10 174.49 1g95 s ILE 324 N 0.39 3.04 -0.05 2.22 -1.09 -0.44 -0.73 121.20 124.55 1g95 s ILE 324 Ca 0.61 -0.61 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1g95 s ILE 324 Cb -0.39 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.13 1g95 s ILE 324 CO 0.37 0.45 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.74 1g95 s VAL 325 N 1.42 0.98 0.00 2.92 1.01 0.33 -0.92 120.40 126.13 1g95 s VAL 325 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1g95 s VAL 325 Cb -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1g95 s VAL 325 CO -0.06 0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1g95 n GLY 326 N 3.59 -2.53 3.88 4.51 0.00 0.54 0.25 105.19 115.42 1g95 n GLY 326 Ca -0.21 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.41 1g95 n GLY 326 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1g95 s PRO 327 N -0.43 1.60 -1.31 1.61 0.04 -1.25 -4.01 135.00 131.26 1g95 s PRO 327 Ca 0.00 0.06 -0.02 0.00 0.04 0.00 0.00 61.00 61.09 1g95 s PRO 327 Cb 0.00 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1g95 s PRO 327 CO 0.00 -1.84 0.80 0.66 0.04 0.00 0.00 177.00 176.66 1g95 n TYR 328 N -3.47 -2.03 -4.23 0.56 4.01 0.10 -3.40 117.16 108.69 1g95 n TYR 328 Ca 0.09 0.87 -0.25 0.00 -0.16 0.00 0.00 57.90 58.45 1g95 n TYR 328 Cb 0.60 -4.51 -0.08 0.00 -0.31 0.00 0.00 39.34 35.05 1g95 n TYR 328 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1g95 s ALA 329 N -3.57 3.19 -0.20 -0.72 0.00 -1.26 0.30 121.76 119.50 1g95 s ALA 329 Ca 0.08 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 1g95 s ALA 329 Cb -0.04 -0.94 0.06 0.00 0.00 0.00 0.00 23.12 22.20 1g95 s ALA 329 CO 0.80 0.42 0.00 -1.58 0.00 0.00 0.00 175.76 175.39 1g95 s HIS 330 N -1.89 1.47 -0.58 0.00 2.46 0.11 -1.66 115.29 115.21 1g95 s HIS 330 Ca 0.28 -1.12 -0.13 0.00 0.47 0.00 0.00 55.06 54.57 1g95 s HIS 330 Cb -0.08 -1.20 0.15 0.00 -0.13 0.00 0.00 32.58 31.31 1g95 s HIS 330 CO 0.19 -0.65 0.50 0.42 -2.47 0.00 0.00 174.74 172.73 1g95 s ILE 331 N 1.71 4.91 0.85 0.89 -1.09 0.91 -0.80 121.20 128.58 1g95 s ILE 331 Ca -0.02 -1.84 -0.12 0.00 -2.23 0.00 0.00 60.65 56.43 1g95 s ILE 331 Cb -0.17 -4.15 0.10 0.00 -1.58 0.00 0.00 42.46 36.66 1g95 s ILE 331 CO -0.07 -0.87 1.15 -0.13 -1.23 0.00 0.00 174.94 173.79 1g95 s ARG 332 N 1.17 1.62 0.28 2.79 0.52 0.74 -0.45 118.95 125.62 1g95 s ARG 332 Ca 0.07 0.23 -0.27 0.00 -0.52 0.00 0.00 55.73 55.24 1g95 s ARG 332 Cb -0.25 -1.90 -0.15 0.00 0.52 0.00 0.00 34.95 33.17 1g95 s ARG 332 CO -0.01 -1.85 0.79 -2.30 0.02 0.00 0.00 175.30 171.95 1g95 n PRO 333 N -3.52 0.80 -3.09 3.54 -0.02 -1.15 -3.80 135.00 127.78 1g95 n PRO 333 Ca 0.07 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.70 1g95 n PRO 333 Cb 0.60 -1.52 0.06 0.00 -0.02 0.00 0.00 33.50 32.62 1g95 n PRO 333 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1g95 n ASN 334 N 1.49 -2.92 -4.38 2.55 3.02 0.86 -2.09 115.26 113.79 1g95 n ASN 334 Ca 0.13 -0.42 -0.23 0.00 -0.03 0.00 0.00 54.58 54.03 1g95 n ASN 334 Cb 0.31 -3.76 -0.11 0.00 -0.61 0.00 0.00 39.78 35.61 1g95 n ASN 334 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1g95 s SER 335 N -3.75 2.98 -0.02 6.41 0.01 -1.25 -2.90 113.70 115.18 1g95 s SER 335 Ca 0.12 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.48 1g95 s SER 335 Cb -0.05 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.99 1g95 s SER 335 CO 0.52 -0.01 -0.04 -0.94 0.41 0.00 0.00 173.24 173.18 1g95 s SER 336 N -2.90 0.61 -0.28 2.44 1.04 -0.81 -1.16 113.70 112.64 1g95 s SER 336 Ca 0.20 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.56 1g95 s SER 336 Cb -0.05 -0.18 0.06 0.00 0.10 0.00 0.00 66.02 65.95 1g95 s SER 336 CO 0.09 0.00 -0.05 -0.76 0.98 0.00 0.00 173.24 173.50 1g95 s LEU 337 N 0.34 3.74 1.28 2.42 1.43 -0.61 -0.54 118.68 126.75 1g95 s LEU 337 Ca -0.04 -1.41 -0.17 0.00 -1.03 0.00 0.00 54.13 51.49 1g95 s LEU 337 Cb -0.07 -1.62 0.32 0.00 0.03 0.00 0.00 46.19 44.85 1g95 s LEU 337 CO -0.00 -0.24 0.92 0.61 0.23 0.00 0.00 176.35 177.87 1g95 n GLY 338 N 4.50 -2.71 3.75 -3.19 0.00 0.14 -1.18 105.19 106.49 1g95 n GLY 338 Ca -0.12 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1g95 n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g95 n ALA 339 N -5.28 1.91 -1.51 4.61 0.00 -1.26 -2.64 120.51 116.34 1g95 n ALA 339 Ca 0.05 0.30 -0.18 0.00 0.00 0.00 0.00 53.44 53.61 1g95 n ALA 339 Cb 0.56 -2.36 -0.08 0.00 0.00 0.00 0.00 19.45 17.57 1g95 n ALA 339 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1g95 n GLN 340 N 0.16 -1.53 -2.21 0.00 6.02 -0.50 -1.04 117.38 118.29 1g95 n GLN 340 Ca 0.04 1.11 -0.39 0.00 -0.01 0.00 0.00 57.00 57.75 1g95 n GLN 340 Cb 0.39 -5.51 -0.02 0.00 1.02 0.00 0.00 30.24 26.13 1g95 n GLN 340 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1g95 s VAL 341 N -2.50 2.95 -0.20 5.09 1.01 -1.08 -3.97 120.40 121.71 1g95 s VAL 341 Ca 0.00 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.82 1g95 s VAL 341 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1g95 s VAL 341 CO 0.00 0.10 -0.17 -1.00 0.00 0.00 0.00 175.10 174.04 1g95 s HIS 342 N -1.33 2.90 -0.23 5.22 3.76 -0.59 -1.33 115.29 123.69 1g95 s HIS 342 Ca 0.56 -1.74 0.01 0.00 -0.15 0.00 0.00 55.06 53.74 1g95 s HIS 342 Cb -0.34 -1.94 0.03 0.00 1.11 0.00 0.00 32.58 31.45 1g95 s HIS 342 CO 0.43 -0.81 -0.12 0.42 -0.85 0.00 0.00 174.74 173.81 1g95 s ILE 343 N 1.26 2.40 0.00 0.60 -1.09 -0.10 -0.79 121.20 123.49 1g95 s ILE 343 Ca 0.02 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.25 1g95 s ILE 343 Cb -0.15 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 1g95 s ILE 343 CO -0.10 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.45 1g95 n GLY 344 N 4.58 0.24 3.76 6.18 0.00 0.12 -0.34 105.19 119.74 1g95 n GLY 344 Ca -0.17 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 1g95 n GLY 344 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g95 s ASN 345 N -1.00 6.80 -1.36 1.61 6.03 -1.11 -3.58 114.94 122.33 1g95 s ASN 345 Ca 0.00 2.62 -0.08 0.00 -1.03 0.00 0.00 52.86 54.37 1g95 s ASN 345 Cb 0.00 -2.64 0.02 0.00 -3.03 0.00 0.00 41.25 35.60 1g95 s ASN 345 CO 0.00 -0.53 1.09 0.49 -2.03 0.00 0.00 177.10 176.11 1g95 n PHE 346 N 1.33 -2.60 -5.08 1.54 3.72 0.15 -2.36 117.46 114.15 1g95 n PHE 346 Ca 0.02 0.97 -0.32 0.00 -0.05 0.00 0.00 57.45 58.07 1g95 n PHE 346 Cb 0.42 -4.81 -0.15 0.00 -0.94 0.00 0.00 39.48 33.99 1g95 n PHE 346 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1g95 s VAL 347 N -3.35 2.46 -0.14 -4.37 1.01 -1.24 -2.55 120.40 112.24 1g95 s VAL 347 Ca 0.46 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1g95 s VAL 347 Cb -0.21 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1g95 s VAL 347 CO 0.75 0.56 -0.19 -0.70 0.00 0.00 0.00 175.10 175.53 1g95 s GLU 348 N -0.05 3.15 -0.20 2.72 2.12 0.57 -0.71 118.70 126.30 1g95 s GLU 348 Ca -0.05 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.46 1g95 s GLU 348 Cb -0.14 -2.50 0.01 0.00 0.26 0.00 0.00 34.13 31.75 1g95 s GLU 348 CO 0.04 0.07 -0.12 0.08 -0.54 0.00 0.00 175.26 174.80 1g95 s VAL 349 N 0.65 2.74 -0.08 3.70 1.01 0.02 -0.80 120.40 127.64 1g95 s VAL 349 Ca -0.10 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1g95 s VAL 349 Cb -0.16 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1g95 s VAL 349 CO 0.02 0.47 -0.11 -0.75 0.00 0.00 0.00 175.10 174.73 1g95 s LYS 350 N 1.38 1.65 -1.45 2.72 2.20 0.30 -0.18 119.74 126.36 1g95 s LYS 350 Ca 0.05 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.29 1g95 s LYS 350 Cb -0.14 -1.48 0.00 0.00 -1.51 0.00 0.00 37.83 34.70 1g95 s LYS 350 CO -0.08 -0.08 0.27 0.41 -0.36 0.00 0.00 175.35 175.52 1g95 n GLY 351 N 4.22 -0.21 3.02 5.54 0.00 -0.89 -0.54 105.19 116.33 1g95 n GLY 351 Ca -0.19 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1g95 n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g95 s SER 352 N -4.35 0.28 -0.17 1.61 0.01 -1.14 -3.30 113.70 106.63 1g95 s SER 352 Ca 0.02 -0.59 -0.05 0.00 1.31 0.00 0.00 55.95 56.63 1g95 s SER 352 Cb -0.01 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 1g95 s SER 352 CO 0.93 -0.38 0.01 -0.94 0.41 0.00 0.00 173.24 173.27 1g95 s SER 353 N -1.82 5.24 -0.20 2.44 1.04 -0.38 -1.92 113.70 118.11 1g95 s SER 353 Ca -0.10 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 1g95 s SER 353 Cb -0.05 -1.86 0.02 0.00 0.10 0.00 0.00 66.02 64.22 1g95 s SER 353 CO -0.03 0.18 -0.15 -0.63 0.98 0.00 0.00 173.24 173.59 1g95 s ILE 354 N 0.31 2.39 0.83 -1.02 -1.09 0.30 -0.68 121.20 122.24 1g95 s ILE 354 Ca 0.00 -0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 57.42 1g95 s ILE 354 Cb -0.13 -2.06 0.09 0.00 -1.58 0.00 0.00 42.46 38.78 1g95 s ILE 354 CO 0.01 0.46 1.10 -0.83 -1.23 0.00 0.00 174.94 174.45 1g95 s GLY 355 N 1.32 1.66 0.34 6.18 0.00 0.23 0.26 107.32 117.31 1g95 s GLY 355 Ca 0.04 0.23 -0.27 0.00 0.00 0.00 0.00 44.72 44.73 1g95 s GLY 355 CO -0.10 0.63 1.01 1.18 0.00 0.00 0.00 173.10 175.83 1g95 n GLU 356 N -3.76 1.39 -0.83 2.90 1.02 -1.26 -2.80 120.64 117.31 1g95 n GLU 356 Ca 0.09 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1g95 n GLU 356 Cb 0.53 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1g95 n GLU 356 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1g95 n ASN 357 N 0.96 -2.73 -4.75 1.62 3.02 -0.20 -1.36 115.26 111.81 1g95 n ASN 357 Ca 0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 1g95 n ASN 357 Cb 0.35 -2.29 -0.03 0.00 -0.61 0.00 0.00 39.78 37.20 1g95 n ASN 357 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1g95 s THR 358 N -1.52 3.14 -0.09 3.41 2.01 -1.12 -4.31 115.64 117.17 1g95 s THR 358 Ca 0.00 1.02 0.02 0.00 0.31 0.00 0.00 61.69 63.04 1g95 s THR 358 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 1g95 s THR 358 CO 0.00 0.19 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.44 1g95 s LYS 359 N -0.77 2.94 -0.39 4.92 1.02 0.29 -1.54 119.74 126.21 1g95 s LYS 359 Ca 0.52 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.84 1g95 s LYS 359 Cb -0.36 -2.49 0.16 0.00 -0.52 0.00 0.00 37.83 34.61 1g95 s LYS 359 CO 0.42 0.41 0.36 0.00 -0.92 0.00 0.00 175.35 175.62 1g95 s ALA 360 N -0.18 0.25 -0.94 5.17 0.00 0.03 -0.18 121.76 125.92 1g95 s ALA 360 Ca -0.00 -1.55 0.25 0.00 0.00 0.00 0.00 51.96 50.65 1g95 s ALA 360 Cb -0.13 -1.88 0.54 0.00 0.00 0.00 0.00 23.12 21.65 1g95 s ALA 360 CO 0.03 -2.10 1.44 0.41 0.00 0.00 0.00 175.76 175.54 1g95 n GLY 361 N 3.70 -1.30 3.42 0.00 0.00 -1.26 0.16 105.19 109.91 1g95 n GLY 361 Ca 0.17 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1g95 n GLY 361 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g95 s HIS 362 N -3.03 -0.55 -0.23 1.61 3.76 -1.26 -2.75 115.29 112.84 1g95 s HIS 362 Ca 0.10 1.27 -0.06 0.00 -0.15 0.00 0.00 55.06 56.23 1g95 s HIS 362 Cb 0.17 0.21 0.01 0.00 1.11 0.00 0.00 32.58 34.08 1g95 s HIS 362 CO 0.69 -0.33 0.14 1.28 -0.85 0.00 0.00 174.74 175.67 1g95 n LEU 363 N 2.43 -0.11 -4.13 0.89 4.77 -0.99 -2.48 117.00 117.37 1g95 n LEU 363 Ca -0.15 -0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 55.37 1g95 n LEU 363 Cb 0.56 -0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 1g95 n LEU 363 CO 0.12 0.15 -0.46 -0.89 -1.33 0.00 0.00 177.39 174.98 1g95 s THR 364 N -4.02 1.08 -0.19 -5.08 2.01 -1.06 -2.00 115.64 106.37 1g95 s THR 364 Ca 0.08 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1g95 s THR 364 Cb -0.04 -0.98 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1g95 s THR 364 CO 0.20 0.01 -0.17 -0.47 -0.69 0.00 0.00 174.62 173.50 1g95 s TYR 365 N -0.82 2.77 -0.36 4.92 5.04 -0.81 -0.31 117.35 127.77 1g95 s TYR 365 Ca 0.01 -1.71 0.02 0.00 -2.44 0.00 0.00 57.07 52.96 1g95 s TYR 365 Cb -0.08 -1.86 0.10 0.00 0.35 0.00 0.00 41.96 40.47 1g95 s TYR 365 CO 0.01 -0.80 0.10 0.42 -1.34 0.00 0.00 175.55 173.94 1g95 s ILE 366 N 1.29 2.54 -0.07 3.14 1.01 0.01 -1.99 121.20 127.14 1g95 s ILE 366 Ca 0.02 -2.32 0.04 0.00 0.00 0.00 0.00 60.65 58.40 1g95 s ILE 366 Cb -0.14 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 1g95 s ILE 366 CO -0.11 -0.63 -0.20 -0.83 0.00 0.00 0.00 174.94 173.17 1g95 s GLY 367 N 1.08 1.41 -1.30 6.18 0.00 -1.26 -0.54 107.32 112.88 1g95 s GLY 367 Ca 0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 44.72 43.79 1g95 s GLY 367 CO -0.07 -0.59 0.62 -2.01 0.00 0.00 0.00 173.10 171.05 1g95 n ASN 368 N 2.89 -1.73 -4.23 1.64 5.15 0.30 -4.83 115.26 114.44 1g95 n ASN 368 Ca -0.17 -0.92 -0.22 0.00 -0.60 0.00 0.00 54.58 52.66 1g95 n ASN 368 Cb 0.52 -3.60 -0.13 0.00 -0.53 0.00 0.00 39.78 36.04 1g95 n ASN 368 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1g95 s GLU 370 N -1.67 3.10 -0.08 0.00 2.12 -0.89 -1.25 118.70 120.04 1g95 s GLU 370 Ca 0.04 -0.84 0.05 0.00 0.36 0.00 0.00 54.97 54.57 1g95 s GLU 370 Cb -0.10 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 1g95 s GLU 370 CO 0.03 -0.42 -0.24 0.08 -0.54 0.00 0.00 175.26 174.17 1g95 s VAL 371 N 1.49 2.10 0.00 3.70 1.01 0.14 -0.74 120.40 128.10 1g95 s VAL 371 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1g95 s VAL 371 Cb -0.17 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.43 1g95 s VAL 371 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1g95 n GLY 372 N 3.25 -1.99 3.92 4.51 0.00 0.12 -0.60 105.19 114.40 1g95 n GLY 372 Ca -0.18 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 1g95 n GLY 372 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g95 s SER 373 N -1.35 6.30 -2.15 1.61 1.04 -1.26 -2.76 113.70 115.12 1g95 s SER 373 Ca 0.00 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1g95 s SER 373 Cb 0.00 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1g95 s SER 373 CO 0.00 -0.44 0.00 0.59 0.98 0.00 0.00 173.24 174.37 1g95 n ASN 374 N -1.94 -5.58 -4.80 7.02 3.02 -0.46 -1.20 115.26 111.32 1g95 n ASN 374 Ca -0.01 0.43 -0.35 0.00 -0.03 0.00 0.00 54.58 54.62 1g95 n ASN 374 Cb 0.55 -4.88 -0.07 0.00 -0.61 0.00 0.00 39.78 34.78 1g95 n ASN 374 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g95 s VAL 375 N -2.82 4.33 -0.17 2.41 1.01 -1.26 -3.82 120.40 120.08 1g95 s VAL 375 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1g95 s VAL 375 Cb 0.00 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1g95 s VAL 375 CO 0.00 -0.11 -0.08 0.21 0.00 0.00 0.00 175.10 175.11 1g95 s ASN 376 N -1.94 2.94 -0.37 3.32 3.84 -0.42 -0.55 114.94 121.77 1g95 s ASN 376 Ca 0.56 -0.68 -0.18 0.00 0.21 0.00 0.00 52.86 52.78 1g95 s ASN 376 Cb -0.13 -1.05 0.00 0.00 -0.55 0.00 0.00 41.25 39.52 1g95 s ASN 376 CO 0.18 -0.15 0.48 -0.36 -2.79 0.00 0.00 177.10 174.46 1g95 s PHE 377 N 1.54 3.17 0.65 0.43 0.08 0.75 -0.69 117.98 123.91 1g95 s PHE 377 Ca 0.01 -0.02 -0.16 0.00 0.12 0.00 0.00 56.93 56.88 1g95 s PHE 377 Cb -0.15 -2.91 -0.00 0.00 -0.57 0.00 0.00 43.02 39.39 1g95 s PHE 377 CO -0.08 -0.59 1.14 0.20 -0.10 0.00 0.00 175.22 175.79 1g95 s GLY 378 N 1.79 2.33 0.32 4.36 0.00 0.26 -4.25 107.32 112.14 1g95 s GLY 378 Ca 0.16 0.71 -0.28 0.00 0.00 0.00 0.00 44.72 45.31 1g95 s GLY 378 CO 0.14 1.08 1.18 0.00 0.00 0.00 0.00 173.10 175.49 1g95 n ALA 379 N -2.21 0.70 -0.91 3.20 0.00 -1.26 -2.68 120.51 117.35 1g95 n ALA 379 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1g95 n ALA 379 Cb 0.51 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1g95 n ALA 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g95 n GLY 380 N 0.95 0.62 3.72 0.00 0.00 -0.85 -0.66 105.19 108.97 1g95 n GLY 380 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1g95 n GLY 380 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g95 s THR 381 N -2.34 3.50 -0.07 2.61 2.01 -1.09 -3.58 115.64 116.68 1g95 s THR 381 Ca 0.00 1.12 0.04 0.00 0.31 0.00 0.00 61.69 63.15 1g95 s THR 381 Cb 0.00 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1g95 s THR 381 CO 0.00 0.11 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.21 1g95 s ILE 382 N 0.84 1.69 -0.15 1.82 -1.09 0.06 -1.93 121.20 122.44 1g95 s ILE 382 Ca 0.61 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 58.16 1g95 s ILE 382 Cb -0.34 -1.47 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 1g95 s ILE 382 CO 0.32 0.48 -0.01 0.42 -1.23 0.00 0.00 174.94 174.92 1g95 s THR 383 N 0.30 4.18 -0.15 2.92 -4.23 -0.84 -0.46 115.64 117.36 1g95 s THR 383 Ca -0.13 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.08 1g95 s THR 383 Cb -0.16 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 1g95 s THR 383 CO 0.06 0.50 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.92 1g95 s VAL 384 N 0.17 4.03 0.00 2.29 1.01 0.35 -4.65 120.40 123.60 1g95 s VAL 384 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1g95 s VAL 384 Cb -0.13 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1g95 s VAL 384 CO 0.02 0.50 0.00 -0.46 0.00 0.00 0.00 175.10 175.16 1g95 n ASN 385 N 3.43 2.97 -4.77 3.32 6.94 -1.26 -1.60 115.26 124.29 1g95 n ASN 385 Ca -0.17 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.04 1g95 n ASN 385 Cb 0.52 0.59 -0.08 0.00 -2.36 0.00 0.00 39.78 38.46 1g95 n ASN 385 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1g95 s TYR 386 N -1.19 3.34 -0.00 -2.53 5.04 -1.26 -0.72 117.35 120.03 1g95 s TYR 386 Ca 0.00 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 1g95 s TYR 386 Cb 0.00 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.49 1g95 s TYR 386 CO 0.00 0.58 0.84 -0.40 -1.34 0.00 0.00 175.55 175.23 1g95 n ASP 387 N 1.86 1.34 0.00 4.32 5.75 -1.15 -4.96 116.55 123.71 1g95 n ASP 387 Ca -0.18 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1g95 n ASP 387 Cb 0.54 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1g95 n ASP 387 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g95 n GLY 388 N -0.34 1.00 1.44 6.12 0.00 -1.26 -4.84 105.19 107.30 1g95 n GLY 388 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1g95 n GLY 388 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1g95 n LYS 389 N -2.01 0.00 -3.93 1.61 4.81 -1.26 -5.16 118.16 112.22 1g95 n LYS 389 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1g95 n LYS 389 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1g95 n LYS 389 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1g95 s ASN 390 N -2.00 6.34 -0.22 3.14 0.01 -1.26 -5.11 114.94 115.85 1g95 s ASN 390 Ca 0.00 0.19 0.01 0.00 -0.71 0.00 0.00 52.86 52.35 1g95 s ASN 390 Cb 0.00 -1.92 0.03 0.00 0.41 0.00 0.00 41.25 39.77 1g95 s ASN 390 CO 0.00 0.05 -0.14 -0.54 -1.51 0.00 0.00 177.10 174.96 1g95 s LYS 391 N -3.21 2.78 0.37 -0.60 -0.14 -1.25 -2.94 119.74 114.74 1g95 s LYS 391 Ca 0.35 -0.98 0.07 0.00 -1.36 0.00 0.00 55.97 54.05 1g95 s LYS 391 Cb -0.11 -2.75 -0.02 0.00 -1.68 0.00 0.00 37.83 33.27 1g95 s LYS 391 CO 0.29 -0.34 0.36 0.71 -0.76 0.00 0.00 175.35 175.61 1g95 s TYR 392 N 1.26 2.86 0.15 3.18 2.02 0.10 -5.02 117.35 121.90 1g95 s TYR 392 Ca 0.00 -0.36 0.10 0.00 -0.37 0.00 0.00 57.07 56.45 1g95 s TYR 392 Cb -0.16 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 1g95 s TYR 392 CO -0.09 0.01 -0.23 0.21 -1.57 0.00 0.00 175.55 173.89 1g95 s LYS 393 N -4.09 1.58 -0.02 -0.62 2.20 -1.26 -4.71 119.74 112.82 1g95 s LYS 393 Ca 0.45 -1.34 0.04 0.00 -0.36 0.00 0.00 55.97 54.75 1g95 s LYS 393 Cb -0.06 -1.96 -0.00 0.00 -1.51 0.00 0.00 37.83 34.29 1g95 s LYS 393 CO 0.28 0.44 -0.14 0.99 -0.36 0.00 0.00 175.35 176.57 1g95 s THR 394 N -1.28 1.14 -0.18 3.43 2.01 -1.17 -3.41 115.64 116.17 1g95 s THR 394 Ca 0.18 -0.58 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 1g95 s THR 394 Cb -0.10 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 1g95 s THR 394 CO 0.09 0.33 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.63 1g95 s VAL 395 N -0.08 3.82 -0.19 3.82 1.01 -0.26 -2.09 120.40 126.43 1g95 s VAL 395 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1g95 s VAL 395 Cb -0.08 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.64 1g95 s VAL 395 CO 0.01 0.47 -0.14 -0.63 0.00 0.00 0.00 175.10 174.80 1g95 s ILE 396 N 0.68 1.79 0.08 2.22 1.01 0.08 -0.60 121.20 126.47 1g95 s ILE 396 Ca -0.02 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 1g95 s ILE 396 Cb -0.14 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1g95 s ILE 396 CO 0.02 0.33 0.08 0.61 0.00 0.00 0.00 174.94 175.98 1g95 n GLY 397 N 4.66 -2.44 3.81 6.18 0.00 0.38 0.16 105.19 117.95 1g95 n GLY 397 Ca -0.17 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1g95 n GLY 397 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1g95 s ASN 398 N -1.70 7.06 -1.92 1.61 0.01 -1.26 -3.53 114.94 115.21 1g95 s ASN 398 Ca 0.05 1.57 0.00 0.00 -0.71 0.00 0.00 52.86 53.76 1g95 s ASN 398 Cb -0.00 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.18 1g95 s ASN 398 CO 0.04 -0.12 0.00 0.59 -1.51 0.00 0.00 177.10 176.10 1g95 n ASN 399 N 0.21 -5.35 -4.73 -1.22 3.02 -0.34 -0.91 115.26 105.94 1g95 n ASN 399 Ca 0.02 0.34 -0.41 0.00 -0.03 0.00 0.00 54.58 54.50 1g95 n ASN 399 Cb 0.52 -4.49 -0.04 0.00 -0.61 0.00 0.00 39.78 35.15 1g95 n ASN 399 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g95 s VAL 400 N -2.77 4.59 -0.38 2.41 1.01 -1.26 -3.84 120.40 120.16 1g95 s VAL 400 Ca 0.00 1.95 -0.07 0.00 0.00 0.00 0.00 61.98 63.86 1g95 s VAL 400 Cb 0.00 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.17 1g95 s VAL 400 CO 0.00 0.32 0.18 0.12 0.00 0.00 0.00 175.10 175.72 1g95 s PHE 401 N 0.05 3.32 -0.40 5.22 5.36 -0.56 -1.30 117.98 129.67 1g95 s PHE 401 Ca 0.45 -1.54 -0.19 0.00 -0.96 0.00 0.00 56.93 54.68 1g95 s PHE 401 Cb -0.22 -2.64 0.01 0.00 -0.34 0.00 0.00 43.02 39.82 1g95 s PHE 401 CO 0.28 -0.80 0.58 0.08 -1.46 0.00 0.00 175.22 173.90 1g95 s VAL 402 N 1.39 4.93 0.45 3.12 1.01 0.13 -1.12 120.40 130.31 1g95 s VAL 402 Ca 0.01 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 1g95 s VAL 402 Cb -0.21 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1g95 s VAL 402 CO 0.02 -0.42 1.02 0.61 0.00 0.00 0.00 175.10 176.33 1g95 n GLY 403 N 4.92 -0.17 3.72 4.51 0.00 0.52 -0.57 105.19 118.13 1g95 n GLY 403 Ca -0.03 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1g95 n GLY 403 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1g95 n SER 404 N 0.26 2.51 -2.26 1.61 7.64 -1.26 -2.75 113.62 119.37 1g95 n SER 404 Ca 0.10 1.00 -0.20 0.00 1.01 0.00 0.00 58.87 60.78 1g95 n SER 404 Cb 0.41 -1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 62.04 1g95 n SER 404 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1g95 n ASN 405 N -0.62 -5.66 -4.93 6.43 3.02 0.17 -0.11 115.26 113.55 1g95 n ASN 405 Ca 0.09 0.09 -0.25 0.00 -0.03 0.00 0.00 54.58 54.48 1g95 n ASN 405 Cb 0.43 -4.77 -0.01 0.00 -0.61 0.00 0.00 39.78 34.82 1g95 n ASN 405 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1g95 s SER 406 N -2.16 6.31 -0.17 6.41 0.01 -1.11 -3.51 113.70 119.48 1g95 s SER 406 Ca 0.00 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1g95 s SER 406 Cb 0.00 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 64.18 1g95 s SER 406 CO 0.00 -0.33 -0.11 -0.89 0.41 0.00 0.00 173.24 172.32 1g95 s THR 407 N -2.35 1.55 -0.34 1.44 2.01 0.40 -0.76 115.64 117.59 1g95 s THR 407 Ca 0.42 -0.79 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 1g95 s THR 407 Cb -0.10 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.86 1g95 s THR 407 CO 0.37 0.30 0.18 -0.63 -0.69 0.00 0.00 174.62 174.15 1g95 s ILE 408 N 1.46 4.65 -0.40 1.82 -1.09 0.39 -0.29 121.20 127.74 1g95 s ILE 408 Ca 0.02 -0.60 -0.16 0.00 -2.23 0.00 0.00 60.65 57.69 1g95 s ILE 408 Cb -0.15 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 1g95 s ILE 408 CO -0.09 -0.07 0.34 -0.63 -1.23 0.00 0.00 174.94 173.26 1g95 s ILE 409 N 1.60 5.20 0.57 2.92 1.01 0.15 -0.49 121.20 132.15 1g95 s ILE 409 Ca 0.04 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 1g95 s ILE 409 Cb -0.18 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 1g95 s ILE 409 CO 0.07 -0.30 1.15 0.00 0.00 0.00 0.00 174.94 175.86 1g95 s ALA 410 N 1.86 2.63 -0.03 9.38 0.00 -0.63 -4.13 121.76 130.84 1g95 s ALA 410 Ca 0.08 0.87 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 1g95 s ALA 410 Cb -0.18 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1g95 s ALA 410 CO 0.11 -0.93 0.75 -1.25 0.00 0.00 0.00 175.76 174.44 1g95 s PRO 411 N -3.35 4.47 0.08 0.00 0.04 -1.26 -4.87 135.00 130.10 1g95 s PRO 411 Ca 0.74 1.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1g95 s PRO 411 Cb -0.26 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 30.89 1g95 s PRO 411 CO 0.30 0.11 0.41 0.08 0.04 0.00 0.00 177.00 177.93 1g95 s VAL 412 N 0.61 0.06 -0.06 -0.36 1.01 -1.22 -4.83 120.40 115.62 1g95 s VAL 412 Ca 0.40 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1g95 s VAL 412 Cb -0.19 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1g95 s VAL 412 CO 0.21 -0.28 -0.07 -0.70 0.00 0.00 0.00 175.10 174.26 1g95 s GLU 413 N -3.00 1.14 -0.37 2.72 2.12 -1.26 -1.11 118.70 118.94 1g95 s GLU 413 Ca -0.02 -0.21 -0.10 0.00 0.36 0.00 0.00 54.97 55.00 1g95 s GLU 413 Cb 0.00 -1.07 0.03 0.00 0.26 0.00 0.00 34.13 33.36 1g95 s GLU 413 CO -0.06 -0.06 0.19 -0.51 -0.54 0.00 0.00 175.26 174.27 1g95 s LEU 414 N 0.91 4.64 0.97 2.70 1.43 0.23 -0.45 118.68 129.12 1g95 s LEU 414 Ca -0.11 -1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 51.86 1g95 s LEU 414 Cb -0.15 -1.99 0.17 0.00 0.03 0.00 0.00 46.19 44.25 1g95 s LEU 414 CO 0.01 -0.37 1.09 -0.83 0.23 0.00 0.00 176.35 176.47 1g95 s GLY 415 N 1.53 1.61 0.31 -3.19 0.00 0.11 -0.47 107.32 107.23 1g95 s GLY 415 Ca 0.01 0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.53 1g95 s GLY 415 CO 0.06 0.61 1.11 1.22 0.00 0.00 0.00 173.10 176.10 1g95 n ASP 416 N -4.25 1.83 -1.36 1.64 8.00 -1.26 -2.03 116.55 119.13 1g95 n ASP 416 Ca 0.07 1.18 -0.18 0.00 0.71 0.00 0.00 54.79 56.58 1g95 n ASP 416 Cb 0.54 -1.36 -0.08 0.00 -0.02 0.00 0.00 41.12 40.20 1g95 n ASP 416 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1g95 n ASN 417 N 1.02 -5.59 -4.76 -2.24 3.02 -0.09 -0.75 115.26 105.87 1g95 n ASN 417 Ca 0.08 0.44 -0.30 0.00 -0.03 0.00 0.00 54.58 54.76 1g95 n ASN 417 Cb 0.34 -4.66 0.10 0.00 -0.61 0.00 0.00 39.78 34.95 1g95 n ASN 417 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1g95 s SER 418 N -2.65 4.26 -0.02 6.41 0.01 -0.86 -4.05 113.70 116.79 1g95 s SER 418 Ca 0.00 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.85 1g95 s SER 418 Cb 0.00 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.95 1g95 s SER 418 CO 0.00 -2.16 0.02 -0.22 0.41 0.00 0.00 173.24 171.29 1g95 s LEU 419 N -5.95 1.25 -0.22 2.44 0.20 -0.71 -1.50 118.68 114.18 1g95 s LEU 419 Ca 0.61 0.02 -0.05 0.00 0.69 0.00 0.00 54.13 55.40 1g95 s LEU 419 Cb -0.16 -0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.48 1g95 s LEU 419 CO 0.56 -0.10 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.82 1g95 s VAL 420 N 0.88 3.76 0.51 1.68 1.01 -0.28 -0.03 120.40 127.93 1g95 s VAL 420 Ca -0.08 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1g95 s VAL 420 Cb -0.11 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 1g95 s VAL 420 CO -0.02 0.40 1.32 -0.83 0.00 0.00 0.00 175.10 175.97 1g95 s GLY 421 N 1.39 2.87 0.39 4.51 0.00 0.16 -0.35 107.32 116.28 1g95 s GLY 421 Ca 0.05 1.24 -0.27 0.00 0.00 0.00 0.00 44.72 45.74 1g95 s GLY 421 CO -0.00 1.76 1.42 0.00 0.00 0.00 0.00 173.10 176.28 1g95 n ALA 422 N -0.76 2.02 -1.00 3.20 0.00 -1.26 -2.26 120.51 120.45 1g95 n ALA 422 Ca 0.09 0.32 -0.00 0.00 0.00 0.00 0.00 53.44 53.85 1g95 n ALA 422 Cb 0.45 -2.37 -0.00 0.00 0.00 0.00 0.00 19.45 17.53 1g95 n ALA 422 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g95 n GLY 423 N 0.56 0.37 3.79 0.00 0.00 0.85 -4.87 105.19 105.88 1g95 n GLY 423 Ca 0.03 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1g95 n GLY 423 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g95 s SER 424 N -2.02 7.28 -0.44 1.61 0.01 -0.96 -4.65 113.70 114.53 1g95 s SER 424 Ca 0.00 1.71 -0.08 0.00 1.31 0.00 0.00 55.95 58.89 1g95 s SER 424 Cb 0.00 -2.53 0.10 0.00 0.21 0.00 0.00 66.02 63.80 1g95 s SER 424 CO 0.00 -0.01 0.29 -0.89 0.41 0.00 0.00 173.24 173.04 1g95 s THR 425 N -1.53 4.04 -0.31 1.44 2.01 -1.25 -0.45 115.64 119.58 1g95 s THR 425 Ca 0.47 -1.69 -0.20 0.00 0.31 0.00 0.00 61.69 60.58 1g95 s THR 425 Cb -0.19 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1g95 s THR 425 CO 0.23 -0.65 0.60 -0.63 -0.69 0.00 0.00 174.62 173.48 1g95 s ILE 426 N 1.35 4.96 -0.12 1.82 -1.09 0.60 -4.91 121.20 123.81 1g95 s ILE 426 Ca 0.05 0.75 0.07 0.00 -2.23 0.00 0.00 60.65 59.29 1g95 s ILE 426 Cb -0.24 -3.98 -0.10 0.00 -1.58 0.00 0.00 42.46 36.56 1g95 s ILE 426 CO -0.00 -0.14 0.21 0.35 -1.23 0.00 0.00 174.94 174.13 1g95 n THR 427 N 5.39 0.00 -4.33 2.92 -2.24 -1.26 -0.68 114.28 114.08 1g95 n THR 427 Ca -0.02 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 1g95 n THR 427 Cb 0.49 0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 1g95 n THR 427 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1g95 s LYS 428 N -2.24 1.26 0.47 -0.78 1.02 -1.26 -4.89 119.74 113.32 1g95 s LYS 428 Ca -0.01 -1.39 -0.23 0.00 0.02 0.00 0.00 55.97 54.37 1g95 s LYS 428 Cb 0.05 -1.33 -0.09 0.00 -0.52 0.00 0.00 37.83 35.93 1g95 s LYS 428 CO 0.30 0.27 0.95 -0.25 -0.92 0.00 0.00 175.35 175.70 1g95 n ASP 429 N 0.35 0.92 -4.17 2.83 8.00 -1.26 -4.80 116.55 118.42 1g95 n ASP 429 Ca -0.14 0.96 -0.34 0.00 0.71 0.00 0.00 54.79 55.98 1g95 n ASP 429 Cb 0.57 -1.34 -0.14 0.00 -0.02 0.00 0.00 41.12 40.19 1g95 n ASP 429 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1g95 s VAL 430 N -1.37 2.85 0.77 2.53 1.01 0.40 -4.94 120.40 121.66 1g95 s VAL 430 Ca 0.66 -1.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 1g95 s VAL 430 Cb -0.52 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.31 1g95 s VAL 430 CO 0.55 -0.01 1.05 -2.65 0.00 0.00 0.00 175.10 174.04 1g95 n PRO 431 N 4.61 0.35 -1.68 2.72 -0.02 -1.26 0.10 135.00 139.82 1g95 n PRO 431 Ca -0.14 0.18 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 1g95 n PRO 431 Cb 0.44 -2.31 0.02 0.00 -0.02 0.00 0.00 33.50 31.63 1g95 n PRO 431 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g95 n ALA 432 N -2.89 0.96 -1.01 3.55 0.00 -1.26 -2.26 120.51 117.60 1g95 n ALA 432 Ca 0.13 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.75 1g95 n ALA 432 Cb 0.50 -2.22 -0.00 0.00 0.00 0.00 0.00 19.45 17.72 1g95 n ALA 432 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1g95 n ASP 433 N -0.14 -5.63 -4.99 0.00 8.00 0.08 -4.91 116.55 108.94 1g95 n ASP 433 Ca 0.09 0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.42 1g95 n ASP 433 Cb 0.42 -3.17 -0.00 0.00 -0.02 0.00 0.00 41.12 38.35 1g95 n ASP 433 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g95 s ALA 434 N -1.15 4.33 0.01 2.24 0.00 -0.96 -4.91 121.76 121.32 1g95 s ALA 434 Ca 0.00 -1.55 0.08 0.00 0.00 0.00 0.00 51.96 50.49 1g95 s ALA 434 Cb 0.00 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1g95 s ALA 434 CO 0.00 -0.12 -0.25 0.96 0.00 0.00 0.00 175.76 176.34 1g95 s ILE 435 N -2.25 2.03 -0.12 0.00 -4.36 -1.26 -1.74 121.20 113.50 1g95 s ILE 435 Ca 0.48 -1.22 0.01 0.00 -0.26 0.00 0.00 60.65 59.67 1g95 s ILE 435 Cb -0.09 -1.71 0.02 0.00 1.25 0.00 0.00 42.46 41.92 1g95 s ILE 435 CO 0.32 0.45 -0.15 0.00 0.24 0.00 0.00 174.94 175.80 1g95 s ALA 436 N -0.70 1.73 0.03 2.27 0.00 0.96 -4.95 121.76 121.10 1g95 s ALA 436 Ca 0.10 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.34 1g95 s ALA 436 Cb -0.10 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1g95 s ALA 436 CO 0.01 -0.14 -0.14 0.42 0.00 0.00 0.00 175.76 175.90 1g95 s ILE 437 N 1.10 1.10 -0.41 0.00 1.01 -1.26 0.36 121.20 123.10 1g95 s ILE 437 Ca -0.04 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.72 1g95 s ILE 437 Cb -0.14 -0.99 0.32 0.00 0.01 0.00 0.00 42.46 41.65 1g95 s ILE 437 CO -0.04 0.04 1.22 0.61 0.00 0.00 0.00 174.94 176.78 1g95 n GLY 438 N 2.01 0.05 0.00 6.18 0.00 -1.26 -5.02 105.19 107.15 1g95 n GLY 438 Ca -0.17 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1g95 n GLY 438 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1g95 n ARG 439 N 0.23 3.14 -4.29 1.61 1.85 -1.26 -3.96 116.66 113.98 1g95 n ARG 439 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.58 1g95 n ARG 439 Cb 0.73 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 32.04 1g95 n ARG 439 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1g95 s GLY 440 N -0.03 1.73 0.33 2.89 0.00 -1.26 -5.13 107.32 105.85 1g95 s GLY 440 Ca 0.00 -1.46 -0.21 0.00 0.00 0.00 0.00 44.72 43.05 1g95 s GLY 440 CO 0.00 -1.48 0.86 0.50 0.00 0.00 0.00 173.10 172.98 1g95 s ARG 441 N -2.74 4.31 0.08 2.90 0.52 -1.26 -5.04 118.95 117.71 1g95 s ARG 441 Ca 0.24 1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 56.20 1g95 s ARG 441 Cb -0.09 -2.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.74 1g95 s ARG 441 CO 0.14 0.20 0.96 -1.14 0.02 0.00 0.00 175.30 175.49 1g95 s GLN 442 N -2.50 4.66 -0.18 3.54 0.74 -1.26 -5.05 119.66 119.61 1g95 s GLN 442 Ca 0.52 1.43 -0.01 0.00 0.05 0.00 0.00 55.36 57.36 1g95 s GLN 442 Cb -0.14 -3.40 0.05 0.00 1.10 0.00 0.00 33.01 30.62 1g95 s GLN 442 CO 0.19 0.15 -0.04 0.42 -0.55 0.00 0.00 175.29 175.46 1g95 s ILE 443 N 0.27 1.08 -0.02 -2.34 1.01 -1.26 -5.13 121.20 114.81 1g95 s ILE 443 Ca 0.48 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 1g95 s ILE 443 Cb -0.23 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1g95 s ILE 443 CO 0.29 0.02 0.46 0.20 0.00 0.00 0.00 174.94 175.91 1g95 s ASN 444 N 1.63 6.83 -0.27 3.58 0.01 -1.26 -5.06 114.94 120.39 1g95 s ASN 444 Ca -0.01 0.98 0.02 0.00 -0.71 0.00 0.00 52.86 53.14 1g95 s ASN 444 Cb -0.16 -2.28 0.07 0.00 0.41 0.00 0.00 41.25 39.29 1g95 s ASN 444 CO -0.07 0.23 -0.03 -0.54 -1.51 0.00 0.00 177.10 175.17 1g95 s LYS 445 N -0.63 1.68 0.71 -0.60 -0.14 -1.26 -5.12 119.74 114.38 1g95 s LYS 445 Ca 0.25 -1.27 -0.16 0.00 -1.36 0.00 0.00 55.97 53.44 1g95 s LYS 445 Cb -0.17 -2.74 0.03 0.00 -1.68 0.00 0.00 37.83 33.27 1g95 s LYS 445 CO 0.14 -0.69 1.22 -0.51 -0.76 0.00 0.00 175.35 174.75 1g95 s ASP 446 N 1.24 4.32 -0.72 2.83 1.01 -1.26 -3.40 116.67 120.69 1g95 s ASP 446 Ca -0.02 2.41 0.00 0.00 0.71 0.00 0.00 52.55 55.65 1g95 s ASP 446 Cb -0.19 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.14 1g95 s ASP 446 CO -0.08 -2.18 0.00 -1.84 0.21 0.00 0.00 175.17 171.28 1g95 n GLU 447 N -2.50 -1.30 0.02 8.23 0.28 -1.26 -4.80 120.64 119.31 1g95 n GLU 447 Ca 0.14 0.43 -0.06 0.00 -0.16 0.00 0.00 57.16 57.51 1g95 n GLU 447 Cb 0.50 -4.44 -0.12 0.00 1.43 0.00 0.00 31.44 28.81 1g95 n GLU 447 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 1g95 h TYR 448 N 0.00 0.00 0.00 -1.84 -1.99 -2.02 -3.31 116.97 107.81 1g95 h TYR 448 Ca -0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.59 1g95 h TYR 448 Cb 0.50 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.23 1g95 h TYR 448 CO 0.23 0.90 0.00 0.00 -0.00 0.00 0.00 178.16 179.29 1g95 n ALA 449 N -2.45 2.26 0.08 3.88 0.00 -1.26 -2.21 120.51 120.80 1g95 n ALA 449 Ca -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.21 1g95 n ALA 449 Cb 0.97 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 1g95 n ALA 449 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1g95 h THR 450 N 0.00 1.15 -0.45 0.00 2.02 -1.97 -3.28 112.91 110.39 1g95 h THR 450 Ca 0.00 -2.73 -0.02 0.00 0.77 0.00 0.00 66.41 64.44 1g95 h THR 450 Cb 0.00 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1g95 h THR 450 CO 0.00 0.66 0.02 0.54 0.37 0.00 0.00 175.52 177.11 1g95 n ARG 451 N -3.21 3.87 0.00 6.66 1.74 -0.94 -5.22 116.66 119.56 1g95 n ARG 451 Ca -0.02 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.68 1g95 n ARG 451 Cb 0.87 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1g95 n ARG 451 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39