#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi9 s GLU 2 N 0.00 3.86 0.12 3.17 2.12 -1.26 -5.10 118.70 121.61 3gi9 s GLU 2 Ca 0.00 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 54.96 3gi9 s GLU 2 Cb 0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 3gi9 s GLU 2 CO 0.00 0.10 0.24 -0.51 -0.54 0.00 0.00 175.26 174.55 3gi9 s LEU 3 N 0.84 4.29 -0.09 2.70 1.02 -1.26 -5.12 118.68 121.07 3gi9 s LEU 3 Ca 0.04 0.18 -0.06 0.00 0.02 0.00 0.00 54.13 54.31 3gi9 s LEU 3 Cb -0.14 -2.88 0.03 0.00 0.02 0.00 0.00 46.19 43.23 3gi9 s LEU 3 CO 0.02 0.10 0.21 -1.59 0.02 0.00 0.00 176.35 175.12 3gi9 s LYS 4 N -2.95 0.20 0.49 1.70 -2.85 -1.26 -5.09 119.74 109.99 3gi9 s LYS 4 Ca 0.34 0.40 -0.20 0.00 -1.00 0.00 0.00 55.97 55.52 3gi9 s LYS 4 Cb -0.12 -0.03 -0.08 0.00 -2.06 0.00 0.00 37.83 35.54 3gi9 s LYS 4 CO 0.28 -0.11 1.04 -0.80 0.10 0.00 0.00 175.35 175.86 3gi9 s ASN 5 N 0.76 6.32 -0.07 0.03 -0.87 -1.26 -5.00 114.94 114.86 3gi9 s ASN 5 Ca -0.05 1.91 -0.30 0.00 -1.57 0.00 0.00 52.86 52.85 3gi9 s ASN 5 Cb -0.07 -2.56 -0.05 0.00 -0.02 0.00 0.00 41.25 38.55 3gi9 s ASN 5 CO -0.04 -0.79 1.61 -0.54 -2.57 0.00 0.00 177.10 174.76 3gi9 s LYS 6 N -3.30 4.19 -0.07 -0.60 1.02 -1.26 -5.00 119.74 114.72 3gi9 s LYS 6 Ca 0.67 2.13 -0.03 0.00 0.02 0.00 0.00 55.97 58.76 3gi9 s LYS 6 Cb -0.16 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 3gi9 s LYS 6 CO 0.21 -0.83 0.08 0.15 -0.92 0.00 0.00 175.35 174.04 3gi9 s LYS 7 N 3.97 3.17 0.05 1.68 1.02 -1.26 -4.86 119.74 123.50 3gi9 s LYS 7 Ca 0.71 -0.34 -0.13 0.00 0.02 0.00 0.00 55.97 56.23 3gi9 s LYS 7 Cb -0.32 -2.95 -0.06 0.00 -0.52 0.00 0.00 37.83 33.98 3gi9 s LYS 7 CO 0.28 0.71 0.43 -0.51 -0.92 0.00 0.00 175.35 175.33 3gi9 s LEU 8 N -1.25 4.41 0.88 3.17 1.43 0.14 -4.80 118.68 122.67 3gi9 s LEU 8 Ca 0.17 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.07 3gi9 s LEU 8 Cb -0.12 -2.82 0.12 0.00 0.03 0.00 0.00 46.19 43.40 3gi9 s LEU 8 CO 0.07 0.24 1.15 -0.94 0.23 0.00 0.00 176.35 177.10 3gi9 s SER 9 N -1.41 3.79 0.18 2.29 1.04 -1.26 -1.14 113.70 117.19 3gi9 s SER 9 Ca 0.29 0.91 -0.14 0.00 0.48 0.00 0.00 55.95 57.49 3gi9 s SER 9 Cb -0.15 -1.45 0.15 0.00 0.10 0.00 0.00 66.02 64.66 3gi9 s SER 9 CO 0.16 -2.37 1.73 0.25 0.98 0.00 0.00 173.24 173.99 3gi9 h LEU 10 N -1.37 0.07 -0.51 2.42 5.85 -1.92 -1.65 115.31 118.20 3gi9 h LEU 10 Ca -0.49 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.14 3gi9 h LEU 10 Cb 1.33 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 3gi9 h LEU 10 CO 0.63 0.07 -0.74 -0.50 -0.34 0.00 0.00 178.44 177.56 3gi9 h TRP 11 N 0.27 0.02 -0.46 1.25 4.06 -1.97 0.12 115.95 119.23 3gi9 h TRP 11 Ca 0.22 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 61.08 3gi9 h TRP 11 Cb 0.26 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 3gi9 h TRP 11 CO -0.19 0.75 -0.05 0.93 -3.56 0.00 0.00 178.44 176.32 3gi9 h GLU 12 N 0.01 0.79 -0.20 0.49 5.08 -1.90 0.16 114.58 119.01 3gi9 h GLU 12 Ca -0.01 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 57.96 3gi9 h GLU 12 Cb 1.31 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3gi9 h GLU 12 CO 0.10 0.83 -0.50 0.00 -1.00 0.00 0.00 179.01 178.44 3gi9 h ALA 13 N 1.21 0.33 0.07 3.43 0.00 -0.94 -1.99 119.26 121.36 3gi9 h ALA 13 Ca 0.13 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3gi9 h ALA 13 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gi9 h ALA 13 CO 0.03 0.51 -0.03 0.28 0.00 0.00 0.00 179.25 180.03 3gi9 h VAL 14 N 0.39 0.95 -0.68 0.00 2.07 -0.69 -2.35 116.25 115.95 3gi9 h VAL 14 Ca -0.01 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.52 3gi9 h VAL 14 Cb 1.12 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 3gi9 h VAL 14 CO 0.11 0.02 0.35 -1.28 0.02 0.00 0.00 177.57 176.79 3gi9 h SER 15 N -0.12 0.47 -0.28 0.57 0.87 -0.71 0.78 113.55 115.13 3gi9 h SER 15 Ca -0.01 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3gi9 h SER 15 Cb 0.10 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 3gi9 h SER 15 CO 0.02 0.29 0.04 -0.03 -0.53 0.00 0.00 176.83 176.61 3gi9 h MET 16 N 0.61 0.13 -0.09 2.24 -1.53 -1.22 0.57 114.93 115.65 3gi9 h MET 16 Ca 0.33 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.55 3gi9 h MET 16 Cb 0.30 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.32 3gi9 h MET 16 CO -0.24 0.08 -0.05 0.00 0.14 0.00 0.00 176.91 176.85 3gi9 h ALA 17 N 1.22 0.12 -0.95 0.39 0.00 -0.89 -2.87 119.26 116.28 3gi9 h ALA 17 Ca 0.13 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.94 3gi9 h ALA 17 Cb 0.15 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 3gi9 h ALA 17 CO -0.19 -0.10 0.60 0.28 0.00 0.00 0.00 179.25 179.84 3gi9 h VAL 18 N -0.20 0.81 0.13 0.00 2.07 -0.76 -0.73 116.25 117.58 3gi9 h VAL 18 Ca 0.02 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3gi9 h VAL 18 Cb 0.51 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3gi9 h VAL 18 CO 0.01 0.14 -0.06 1.23 0.02 0.00 0.00 177.57 178.91 3gi9 h GLY 19 N 0.75 -0.19 1.06 2.17 0.00 -0.77 -1.08 103.07 105.01 3gi9 h GLY 19 Ca 0.49 0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.80 3gi9 h GLY 19 CO -0.25 -0.07 -0.01 -2.08 0.00 0.00 0.00 176.54 174.13 3gi9 h VAL 20 N -0.27 1.27 -0.03 4.60 2.07 -1.25 -1.33 116.25 121.30 3gi9 h VAL 20 Ca -0.02 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3gi9 h VAL 20 Cb 0.22 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3gi9 h VAL 20 CO 0.03 0.41 0.02 0.24 0.02 0.00 0.00 177.57 178.29 3gi9 h MET 21 N 0.89 0.05 -0.48 1.57 2.86 -1.10 -1.40 114.93 117.31 3gi9 h MET 21 Ca 0.16 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 3gi9 h MET 21 Cb 0.56 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3gi9 h MET 21 CO 0.03 0.05 0.02 0.82 1.06 0.00 0.00 176.91 178.89 3gi9 h ILE 22 N 0.03 1.26 0.00 -1.22 2.04 -1.19 -2.15 117.51 116.28 3gi9 h ILE 22 Ca 0.01 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 3gi9 h ILE 22 Cb 0.01 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3gi9 h ILE 22 CO -0.00 0.36 -0.10 1.23 0.00 0.00 0.00 178.15 179.64 3gi9 h GLY 23 N 0.70 0.00 0.62 5.37 0.00 -1.15 -1.46 103.07 107.16 3gi9 h GLY 23 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 3gi9 h GLY 23 CO 0.02 0.00 -1.53 0.00 0.00 0.00 0.00 176.54 175.03 3gi9 n ALA 24 N -2.32 2.33 -0.03 3.60 0.00 -0.54 -3.90 120.51 119.66 3gi9 n ALA 24 Ca -0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 52.85 3gi9 n ALA 24 Cb 0.20 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 3gi9 n ALA 24 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gi9 n SER 25 N -2.63 1.46 -0.07 0.00 7.64 -0.83 -3.16 113.62 116.03 3gi9 n SER 25 Ca -0.07 0.23 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 3gi9 n SER 25 Cb 0.70 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 3gi9 n SER 25 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3gi9 h ILE 26 N -0.50 1.15 -0.21 0.44 1.08 -1.47 -2.85 117.51 115.14 3gi9 h ILE 26 Ca -0.05 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 3gi9 h ILE 26 Cb 0.61 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 3gi9 h ILE 26 CO -0.03 0.15 0.00 0.49 -0.69 0.00 0.00 178.15 178.07 3gi9 n PHE 27 N -4.81 0.27 0.03 1.37 3.72 -1.18 -4.47 117.46 112.39 3gi9 n PHE 27 Ca -0.03 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3gi9 n PHE 27 Cb 0.11 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 3gi9 n PHE 27 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3gi9 n SER 28 N 1.01 0.47 -0.86 4.37 7.64 -1.24 -4.74 113.62 120.27 3gi9 n SER 28 Ca 0.13 0.09 0.10 0.00 1.01 0.00 0.00 58.87 60.21 3gi9 n SER 28 Cb 0.46 -0.12 0.28 0.00 -1.01 0.00 0.00 64.21 63.82 3gi9 n SER 28 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3gi9 n ILE 29 N -3.00 0.44 -0.10 0.44 -5.35 -1.19 -4.36 119.36 106.25 3gi9 n ILE 29 Ca 0.00 -0.57 0.06 0.00 -0.27 0.00 0.00 62.75 61.97 3gi9 n ILE 29 Cb 0.00 0.55 0.39 0.00 -1.74 0.00 0.00 39.64 38.84 3gi9 n ILE 29 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3gi9 h PHE 30 N 3.13 0.64 -0.17 4.28 3.57 -1.72 -2.18 116.94 124.49 3gi9 h PHE 30 Ca 0.00 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 3gi9 h PHE 30 Cb 0.70 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3gi9 h PHE 30 CO 0.22 0.36 -0.42 0.78 -2.23 0.00 0.00 178.31 177.02 3gi9 h GLY 31 N 0.65 0.43 2.00 2.40 0.00 -1.76 -2.02 103.07 104.77 3gi9 h GLY 31 Ca 0.24 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 3gi9 h GLY 31 CO -0.07 0.38 -0.32 -2.08 0.00 0.00 0.00 176.54 174.45 3gi9 h VAL 32 N 0.32 0.71 0.00 4.60 2.07 -1.71 -2.89 116.25 119.34 3gi9 h VAL 32 Ca 0.03 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.08 3gi9 h VAL 32 Cb 0.88 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3gi9 h VAL 32 CO 0.07 0.32 -0.28 1.23 0.02 0.00 0.00 177.57 178.93 3gi9 h GLY 33 N 2.41 0.00 0.83 2.17 0.00 -1.17 -2.99 103.07 104.31 3gi9 h GLY 33 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3gi9 h GLY 33 CO 0.04 0.00 -0.55 0.00 0.00 0.00 0.00 176.54 176.03 3gi9 h ALA 34 N 2.16 0.13 0.05 3.60 0.00 -1.17 -2.18 119.26 121.86 3gi9 h ALA 34 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3gi9 h ALA 34 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3gi9 h ALA 34 CO 0.00 0.36 -0.02 -0.22 0.00 0.00 0.00 179.25 179.37 3gi9 h LYS 35 N -0.00 -0.06 0.16 0.00 3.64 -1.61 -2.17 116.57 116.52 3gi9 h LYS 35 Ca -0.06 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.09 3gi9 h LYS 35 Cb 1.23 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3gi9 h LYS 35 CO 0.11 0.25 -1.12 0.82 -2.27 0.00 0.00 179.45 177.24 3gi9 h ILE 36 N -0.38 1.33 0.10 2.00 2.04 -1.66 -3.38 117.51 117.56 3gi9 h ILE 36 Ca -0.01 -2.54 -0.36 0.00 1.00 0.00 0.00 64.86 62.96 3gi9 h ILE 36 Cb 0.34 3.04 -0.03 0.00 -0.74 0.00 0.00 36.82 39.44 3gi9 h ILE 36 CO 0.01 0.74 -2.00 0.00 0.00 0.00 0.00 178.15 176.90 3gi9 n ALA 37 N -2.76 1.00 -0.52 1.87 0.00 -0.83 -4.18 120.51 115.10 3gi9 n ALA 37 Ca -0.17 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.61 3gi9 n ALA 37 Cb 0.91 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3gi9 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gi9 n GLY 38 N 1.96 2.21 0.09 0.00 0.00 -0.81 -2.51 105.19 106.12 3gi9 n GLY 38 Ca -0.31 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.47 3gi9 n GLY 38 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gi9 n ARG 39 N 13.03 0.17 -0.43 1.61 1.85 -1.26 -3.12 116.66 128.50 3gi9 n ARG 39 Ca 0.00 0.29 0.02 0.00 -1.00 0.00 0.00 57.85 57.16 3gi9 n ARG 39 Cb 0.00 -1.76 0.18 0.00 -1.05 0.00 0.00 32.46 29.83 3gi9 n ARG 39 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3gi9 n ASN 40 N -2.06 3.22 -0.10 2.89 3.02 -1.05 -4.43 115.26 116.76 3gi9 n ASN 40 Ca 0.04 -2.46 -0.13 0.00 -0.03 0.00 0.00 54.58 51.99 3gi9 n ASN 40 Cb 0.29 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 3gi9 n ASN 40 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3gi9 h LEU 41 N 1.78 0.78 -1.36 3.41 5.85 -1.73 -2.25 115.31 121.79 3gi9 h LEU 41 Ca 0.03 -0.47 0.12 0.00 0.84 0.00 0.00 57.88 58.40 3gi9 h LEU 41 Cb 1.26 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 3gi9 h LEU 41 CO 0.26 1.09 0.53 -0.65 -0.34 0.00 0.00 178.44 179.33 3gi9 h PRO 42 N 0.49 0.65 -0.30 5.25 0.11 -1.89 -0.95 132.00 135.36 3gi9 h PRO 42 Ca 0.05 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.97 3gi9 h PRO 42 Cb 0.86 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3gi9 h PRO 42 CO 0.07 0.43 -0.42 0.93 -0.21 0.00 0.00 178.00 178.80 3gi9 h GLU 43 N 0.67 0.75 -0.75 1.05 3.07 -1.86 -2.65 114.58 114.86 3gi9 h GLU 43 Ca 0.39 -0.40 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 3gi9 h GLU 43 Cb 0.60 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.47 3gi9 h GLU 43 CO -0.16 1.03 0.45 1.15 -1.40 0.00 0.00 179.01 180.08 3gi9 h THR 44 N 0.61 1.02 -0.31 1.13 2.02 -0.59 0.19 112.91 116.98 3gi9 h THR 44 Ca 0.05 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.82 3gi9 h THR 44 Cb 0.97 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3gi9 h THR 44 CO 0.09 0.15 -0.31 -0.26 0.37 0.00 0.00 175.52 175.56 3gi9 h PHE 45 N 0.83 0.76 -0.11 3.16 0.04 -1.22 -0.36 116.94 120.04 3gi9 h PHE 45 Ca 0.33 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 3gi9 h PHE 45 Cb 0.15 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 3gi9 h PHE 45 CO -0.05 0.89 -0.01 0.82 -0.60 0.00 0.00 178.31 179.35 3gi9 h ILE 46 N 0.56 1.27 -0.76 -0.55 2.04 -1.08 -1.64 117.51 117.34 3gi9 h ILE 46 Ca 0.06 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 3gi9 h ILE 46 Cb 0.81 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 3gi9 h ILE 46 CO 0.07 0.25 0.39 0.25 0.00 0.00 0.00 178.15 179.10 3gi9 h LEU 47 N -0.09 0.98 -0.92 1.44 5.85 -0.56 -1.19 115.31 120.82 3gi9 h LEU 47 Ca 0.03 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 3gi9 h LEU 47 Cb 0.39 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3gi9 h LEU 47 CO 0.01 0.83 -0.19 0.28 -0.34 0.00 0.00 178.44 179.02 3gi9 h SER 48 N 1.07 0.57 -0.52 1.25 0.02 -1.08 -2.65 113.55 112.21 3gi9 h SER 48 Ca 0.27 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3gi9 h SER 48 Cb 0.09 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3gi9 h SER 48 CO -0.04 0.77 0.15 1.23 -1.14 0.00 0.00 176.83 177.80 3gi9 h GLY 49 N 0.99 0.93 0.96 -3.77 0.00 -0.77 -1.86 103.07 99.55 3gi9 h GLY 49 Ca 0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3gi9 h GLY 49 CO 0.04 0.50 0.20 -2.22 0.00 0.00 0.00 176.54 175.07 3gi9 h ILE 50 N 0.84 1.17 -0.60 2.60 1.08 -0.93 -1.04 117.51 120.63 3gi9 h ILE 50 Ca 0.19 -0.46 0.03 0.00 -0.39 0.00 0.00 64.86 64.23 3gi9 h ILE 50 Cb 0.29 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 3gi9 h ILE 50 CO -0.00 0.18 0.36 1.88 -0.69 0.00 0.00 178.15 179.87 3gi9 h TYR 51 N 0.51 0.67 -0.81 1.37 0.05 -1.27 -2.44 116.97 115.04 3gi9 h TYR 51 Ca 0.14 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 3gi9 h TYR 51 Cb 0.10 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 3gi9 h TYR 51 CO -0.02 0.37 0.40 0.00 -1.05 0.00 0.00 178.16 177.86 3gi9 h ALA 52 N 1.27 1.17 0.00 3.88 0.00 -0.99 -2.23 119.26 122.36 3gi9 h ALA 52 Ca 0.24 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3gi9 h ALA 52 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3gi9 h ALA 52 CO -0.11 0.64 -0.50 -0.07 0.00 0.00 0.00 179.25 179.20 3gi9 h LEU 53 N 1.15 0.00 -0.63 0.00 3.38 -0.94 0.31 115.31 118.58 3gi9 h LEU 53 Ca 0.28 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 3gi9 h LEU 53 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3gi9 h LEU 53 CO -0.04 0.50 -0.48 -0.07 0.09 0.00 0.00 178.44 178.45 3gi9 h LEU 54 N 0.00 0.55 -0.22 1.67 3.38 -1.05 -1.24 115.31 118.39 3gi9 h LEU 54 Ca -0.01 -0.27 -0.21 0.00 0.09 0.00 0.00 57.88 57.49 3gi9 h LEU 54 Cb 0.94 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.54 3gi9 h LEU 54 CO 0.07 0.94 -0.73 0.58 0.09 0.00 0.00 178.44 179.38 3gi9 h VAL 55 N 0.40 1.29 -0.46 1.22 2.07 -1.07 -3.14 116.25 116.56 3gi9 h VAL 55 Ca 0.02 -1.95 0.04 0.00 0.82 0.00 0.00 66.70 65.63 3gi9 h VAL 55 Cb 0.99 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3gi9 h VAL 55 CO 0.09 0.62 0.31 0.00 0.02 0.00 0.00 177.57 178.60 3gi9 h ALA 56 N 0.64 1.83 -0.85 1.67 0.00 -0.22 -1.57 119.26 120.74 3gi9 h ALA 56 Ca -0.04 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3gi9 h ALA 56 Cb 1.35 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 3gi9 h ALA 56 CO 0.15 0.11 0.56 -0.92 0.00 0.00 0.00 179.25 179.15 3gi9 h TYR 57 N 0.49 0.96 0.03 0.00 3.20 -1.18 0.13 116.97 120.61 3gi9 h TYR 57 Ca 0.19 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 3gi9 h TYR 57 Cb 0.15 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.12 3gi9 h TYR 57 CO -0.00 0.50 -0.42 0.77 -1.64 0.00 0.00 178.16 177.37 3gi9 h SER 58 N 0.95 0.31 -0.30 -2.11 0.02 -1.43 -3.23 113.55 107.76 3gi9 h SER 58 Ca 0.37 -0.84 0.01 0.00 -0.84 0.00 0.00 61.79 60.48 3gi9 h SER 58 Cb 0.22 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3gi9 h SER 58 CO -0.13 1.12 0.18 1.88 -1.14 0.00 0.00 176.83 178.74 3gi9 h TYR 59 N -0.46 0.35 -0.42 3.45 -1.99 -1.00 -1.52 116.97 115.38 3gi9 h TYR 59 Ca -0.06 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.59 3gi9 h TYR 59 Cb 1.22 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.81 3gi9 h TYR 59 CO 0.19 0.21 -0.09 1.79 -0.00 0.00 0.00 178.16 180.26 3gi9 h THR 60 N 0.38 1.25 -0.22 -2.88 1.35 -0.90 0.39 112.91 112.28 3gi9 h THR 60 Ca 0.12 -1.13 -0.10 0.00 -0.55 0.00 0.00 66.41 64.75 3gi9 h THR 60 Cb -0.01 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3gi9 h THR 60 CO -0.05 0.39 -0.26 0.11 -0.25 0.00 0.00 175.52 175.46 3gi9 h LYS 61 N 0.68 0.56 -0.30 4.72 1.79 -1.54 -2.92 116.57 119.56 3gi9 h LYS 61 Ca 0.12 -0.31 -0.18 0.00 -2.18 0.00 0.00 60.65 58.10 3gi9 h LYS 61 Cb 0.56 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3gi9 h LYS 61 CO 0.03 0.90 -0.51 -0.07 -1.08 0.00 0.00 179.45 178.73 3gi9 h LEU 62 N 0.24 0.96 0.00 2.94 3.38 -1.14 -3.21 115.31 118.47 3gi9 h LEU 62 Ca 0.03 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3gi9 h LEU 62 Cb 0.82 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3gi9 h LEU 62 CO 0.06 1.30 0.00 0.61 0.09 0.00 0.00 178.44 180.50 3gi9 n GLY 63 N 0.34 -1.00 0.02 0.83 0.00 0.14 -0.94 105.19 104.57 3gi9 n GLY 63 Ca -0.04 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 45.99 3gi9 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi9 n ALA 64 N -1.30 3.52 -0.00 4.61 0.00 -1.10 -4.42 120.51 121.81 3gi9 n ALA 64 Ca 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 53.44 53.14 3gi9 n ALA 64 Cb 0.17 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 3gi9 n ALA 64 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gi9 n LYS 65 N -1.81 2.82 -3.79 0.00 4.76 -1.04 -4.76 118.16 114.35 3gi9 n LYS 65 Ca 0.03 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.11 3gi9 n LYS 65 Cb 0.40 -1.00 -0.12 0.00 -1.84 0.00 0.00 35.03 32.46 3gi9 n LYS 65 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3gi9 s ILE 66 N -2.00 3.43 -0.26 -0.18 1.01 -0.12 -5.08 121.20 118.00 3gi9 s ILE 66 Ca -0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 60.65 58.98 3gi9 s ILE 66 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 3gi9 s ILE 66 CO 0.01 -0.39 0.14 -0.69 0.00 0.00 0.00 174.94 174.01 3gi9 s VAL 67 N 1.27 4.94 -0.28 2.92 1.01 -1.26 -4.47 120.40 124.52 3gi9 s VAL 67 Ca 0.01 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 3gi9 s VAL 67 Cb -0.21 -3.33 0.11 0.00 0.00 0.00 0.00 36.38 32.95 3gi9 s VAL 67 CO -0.01 0.30 0.95 -0.55 0.00 0.00 0.00 175.10 175.79 3gi9 s SER 68 N 1.60 -0.53 0.21 3.32 0.15 -1.26 -4.48 113.70 112.70 3gi9 s SER 68 Ca 0.07 1.02 0.19 0.00 0.70 0.00 0.00 55.95 57.92 3gi9 s SER 68 Cb -0.15 1.04 0.88 0.00 -1.71 0.00 0.00 66.02 66.08 3gi9 s SER 68 CO 0.07 -0.17 1.58 0.59 1.20 0.00 0.00 173.24 176.51 3gi9 n ASN 69 N 2.44 0.46 0.26 5.45 3.02 -1.26 -2.29 115.26 123.34 3gi9 n ASN 69 Ca -0.13 0.65 0.15 0.00 -0.03 0.00 0.00 54.58 55.22 3gi9 n ASN 69 Cb 0.56 -0.74 0.60 0.00 -0.61 0.00 0.00 39.78 39.59 3gi9 n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gi9 h ALA 70 N 2.19 1.01 -0.43 5.41 0.00 -1.86 -3.38 119.26 122.21 3gi9 h ALA 70 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gi9 h ALA 70 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gi9 h ALA 70 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 3gi9 n GLY 71 N 0.10 2.13 0.30 0.00 0.00 -0.97 -2.98 105.19 103.77 3gi9 n GLY 71 Ca 0.01 -0.37 0.18 0.00 0.00 0.00 0.00 46.02 45.83 3gi9 n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gi9 h PRO 72 N 0.00 0.00 0.00 1.61 0.13 -1.91 -2.55 132.00 129.28 3gi9 h PRO 72 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 3gi9 h PRO 72 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3gi9 h PRO 72 CO 0.00 0.04 -0.51 0.82 -0.23 0.00 0.00 178.00 178.12 3gi9 h ILE 73 N 0.00 1.29 -0.09 -3.56 1.08 -1.93 -1.60 117.51 112.69 3gi9 h ILE 73 Ca -0.00 -1.78 -0.02 0.00 -0.39 0.00 0.00 64.86 62.67 3gi9 h ILE 73 Cb 0.25 1.98 -0.00 0.00 -3.07 0.00 0.00 36.82 35.98 3gi9 h ILE 73 CO 0.01 0.50 -0.02 0.00 -0.69 0.00 0.00 178.15 177.94 3gi9 h ALA 74 N 1.49 0.13 -0.68 1.87 0.00 -1.63 -1.96 119.26 118.48 3gi9 h ALA 74 Ca -0.01 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.76 3gi9 h ALA 74 Cb 0.94 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3gi9 h ALA 74 CO 0.07 -0.15 0.36 0.74 0.00 0.00 0.00 179.25 180.27 3gi9 h PHE 75 N -0.15 0.66 -0.48 0.00 0.04 -1.54 0.21 116.94 115.70 3gi9 h PHE 75 Ca 0.02 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.70 3gi9 h PHE 75 Cb 0.42 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3gi9 h PHE 75 CO 0.05 0.30 -0.17 0.82 -0.60 0.00 0.00 178.31 178.71 3gi9 h ILE 76 N 0.66 1.27 -0.09 -0.55 2.04 -1.31 -2.41 117.51 117.12 3gi9 h ILE 76 Ca 0.31 -1.32 -0.14 0.00 1.00 0.00 0.00 64.86 64.71 3gi9 h ILE 76 Cb 0.24 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3gi9 h ILE 76 CO -0.21 0.46 -0.58 -0.74 0.00 0.00 0.00 178.15 177.08 3gi9 h HIS 77 N 0.81 0.37 0.00 1.37 2.76 -0.95 0.14 115.15 119.64 3gi9 h HIS 77 Ca 0.11 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 3gi9 h HIS 77 Cb 0.74 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 3gi9 h HIS 77 CO 0.05 0.80 -0.15 -0.22 -1.30 0.00 0.00 177.93 177.11 3gi9 h LYS 78 N 0.22 0.00 0.00 5.26 1.63 -0.87 -1.68 116.57 121.13 3gi9 h LYS 78 Ca -0.00 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.70 3gi9 h LYS 78 Cb 1.08 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 3gi9 h LYS 78 CO 0.09 0.15 -0.98 0.00 -3.45 0.00 0.00 179.45 175.26 3gi9 n ALA 79 N -2.26 0.69 -0.47 5.00 0.00 -0.91 -4.70 120.51 117.86 3gi9 n ALA 79 Ca -0.01 -0.59 0.06 0.00 0.00 0.00 0.00 53.44 52.89 3gi9 n ALA 79 Cb 0.29 -0.08 0.16 0.00 0.00 0.00 0.00 19.45 19.82 3gi9 n ALA 79 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3gi9 n ILE 80 N -4.51 1.46 -4.67 0.00 -5.35 0.44 -5.02 119.36 101.72 3gi9 n ILE 80 Ca -0.19 -1.38 0.00 0.00 -0.27 0.00 0.00 62.75 60.91 3gi9 n ILE 80 Cb 0.47 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 3gi9 n ILE 80 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gi9 n GLY 81 N -0.15 0.22 3.65 3.28 0.00 -0.63 -4.73 105.19 106.83 3gi9 n GLY 81 Ca 0.13 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 3gi9 n GLY 81 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gi9 s ASP 82 N -4.00 5.93 0.15 1.61 2.15 -1.26 -4.41 116.67 116.84 3gi9 s ASP 82 Ca 0.00 0.11 -0.20 0.00 0.43 0.00 0.00 52.55 52.89 3gi9 s ASP 82 Cb 0.00 -2.05 0.07 0.00 -0.30 0.00 0.00 42.92 40.64 3gi9 s ASP 82 CO 0.00 0.12 0.96 -0.46 -0.17 0.00 0.00 175.17 175.62 3gi9 n ASN 83 N 3.93 -1.54 0.25 -0.34 0.23 -1.26 -5.02 115.26 111.51 3gi9 n ASN 83 Ca -0.16 -1.77 0.12 0.00 -0.53 0.00 0.00 54.58 52.24 3gi9 n ASN 83 Cb 0.52 2.49 0.65 0.00 -2.08 0.00 0.00 39.78 41.37 3gi9 n ASN 83 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 3gi9 h ILE 84 N 1.90 0.51 0.37 1.53 3.07 -1.96 -1.19 117.51 121.74 3gi9 h ILE 84 Ca -0.24 -0.71 -0.02 0.00 1.55 0.00 0.00 64.86 65.44 3gi9 h ILE 84 Cb 1.09 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 3gi9 h ILE 84 CO 0.33 0.14 -0.18 0.40 -1.05 0.00 0.00 178.15 177.79 3gi9 h ILE 85 N 0.00 0.61 -0.62 0.16 1.08 -1.97 -0.35 117.51 116.42 3gi9 h ILE 85 Ca -0.00 -0.46 0.07 0.00 -0.39 0.00 0.00 64.86 64.08 3gi9 h ILE 85 Cb 0.47 0.83 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 3gi9 h ILE 85 CO 0.02 0.08 0.31 0.74 -0.69 0.00 0.00 178.15 178.61 3gi9 h THR 86 N -0.77 0.91 -0.47 -0.27 2.02 -1.80 -1.14 112.91 111.40 3gi9 h THR 86 Ca -0.05 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 3gi9 h THR 86 Cb 0.52 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3gi9 h THR 86 CO 0.08 0.10 0.09 1.23 0.37 0.00 0.00 175.52 177.40 3gi9 h GLY 87 N 0.57 0.82 1.52 2.16 0.00 -1.23 -2.37 103.07 104.54 3gi9 h GLY 87 Ca 0.29 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 3gi9 h GLY 87 CO -0.21 0.49 -0.13 0.00 0.00 0.00 0.00 176.54 176.69 3gi9 h ALA 88 N 0.97 1.16 -0.07 3.60 0.00 -0.82 -2.63 119.26 121.46 3gi9 h ALA 88 Ca 0.14 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3gi9 h ALA 88 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gi9 h ALA 88 CO 0.01 0.53 -0.27 -0.07 0.00 0.00 0.00 179.25 179.44 3gi9 h LEU 89 N 0.52 0.13 -0.43 0.00 3.38 -1.02 0.47 115.31 118.36 3gi9 h LEU 89 Ca 0.09 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 3gi9 h LEU 89 Cb 0.53 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gi9 h LEU 89 CO 0.03 0.40 -0.65 0.77 0.09 0.00 0.00 178.44 179.09 3gi9 h SER 90 N 0.12 0.60 -0.10 -0.43 4.64 -1.08 -0.97 113.55 116.32 3gi9 h SER 90 Ca 0.02 -0.36 -0.17 0.00 -0.47 0.00 0.00 61.79 60.81 3gi9 h SER 90 Cb 0.55 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3gi9 h SER 90 CO 0.04 1.09 -0.56 0.40 -0.87 0.00 0.00 176.83 176.93 3gi9 h ILE 91 N 0.38 1.30 -0.78 0.95 2.04 -1.26 -2.64 117.51 117.50 3gi9 h ILE 91 Ca -0.02 -1.79 0.02 0.00 1.00 0.00 0.00 64.86 64.08 3gi9 h ILE 91 Cb 1.22 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 3gi9 h ILE 91 CO 0.12 0.57 0.51 0.25 0.00 0.00 0.00 178.15 179.59 3gi9 h LEU 92 N 0.53 0.86 -0.69 1.44 5.85 -0.80 0.13 115.31 122.62 3gi9 h LEU 92 Ca 0.01 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3gi9 h LEU 92 Cb 1.14 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 3gi9 h LEU 92 CO 0.11 0.61 0.44 0.25 -0.34 0.00 0.00 178.44 179.51 3gi9 h LEU 93 N 1.01 0.73 -0.72 2.25 5.85 -1.10 0.55 115.31 123.88 3gi9 h LEU 93 Ca 0.30 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 3gi9 h LEU 93 Cb -0.05 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3gi9 h LEU 93 CO -0.09 0.51 0.26 -0.25 -0.34 0.00 0.00 178.44 178.53 3gi9 h TRP 94 N 0.86 1.12 -0.72 1.25 7.01 -1.03 -2.73 115.95 121.72 3gi9 h TRP 94 Ca 0.27 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 3gi9 h TRP 94 Cb -0.00 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 26.69 3gi9 h TRP 94 CO -0.04 0.88 0.41 0.52 -2.79 0.00 0.00 178.44 177.42 3gi9 h MET 95 N 1.04 0.98 -0.61 2.65 2.86 -0.12 -2.09 114.93 119.64 3gi9 h MET 95 Ca 0.24 -0.09 0.08 0.00 -2.06 0.00 0.00 59.70 57.86 3gi9 h MET 95 Cb 0.26 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 3gi9 h MET 95 CO -0.01 0.70 0.41 0.66 1.06 0.00 0.00 176.91 179.73 3gi9 h SER 96 N 0.99 0.46 -0.04 1.22 4.64 -0.59 -0.25 113.55 119.99 3gi9 h SER 96 Ca 0.26 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.45 3gi9 h SER 96 Cb -0.01 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3gi9 h SER 96 CO -0.05 0.29 -0.48 1.88 -0.87 0.00 0.00 176.83 177.61 3gi9 h TYR 97 N 0.52 0.56 -0.17 4.77 0.05 -1.39 -2.95 116.97 118.36 3gi9 h TYR 97 Ca 0.27 -0.27 0.05 0.00 0.05 0.00 0.00 58.73 58.83 3gi9 h TYR 97 Cb 0.40 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.00 3gi9 h TYR 97 CO -0.00 1.06 -0.23 0.28 -1.05 0.00 0.00 178.16 178.23 3gi9 h VAL 98 N -0.11 0.44 0.00 -2.88 2.07 -0.64 -1.38 116.25 113.74 3gi9 h VAL 98 Ca -0.05 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 3gi9 h VAL 98 Cb 1.16 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3gi9 h VAL 98 CO 0.10 0.00 -0.38 0.40 0.02 0.00 0.00 177.57 177.71 3gi9 h ILE 99 N -0.27 1.17 -0.27 4.57 2.04 -1.21 -2.56 117.51 120.98 3gi9 h ILE 99 Ca 0.11 -1.34 -0.10 0.00 1.00 0.00 0.00 64.86 64.53 3gi9 h ILE 99 Cb 0.44 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3gi9 h ILE 99 CO -0.32 0.37 -0.27 0.28 0.00 0.00 0.00 178.15 178.21 3gi9 h SER 100 N 0.00 0.53 -0.68 1.72 0.02 -1.20 -2.15 113.55 111.79 3gi9 h SER 100 Ca -0.00 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3gi9 h SER 100 Cb 0.71 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 3gi9 h SER 100 CO 0.05 0.79 0.39 0.40 -1.14 0.00 0.00 176.83 177.32 3gi9 h ILE 101 N 0.46 1.20 -0.55 3.27 2.04 -0.85 -0.17 117.51 122.92 3gi9 h ILE 101 Ca 0.06 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.48 3gi9 h ILE 101 Cb 0.71 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3gi9 h ILE 101 CO 0.05 0.22 0.31 0.00 0.00 0.00 0.00 178.15 178.73 3gi9 h ALA 102 N 1.20 0.71 -0.86 1.87 0.00 -1.40 0.18 119.26 120.95 3gi9 h ALA 102 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3gi9 h ALA 102 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3gi9 h ALA 102 CO -0.04 -0.01 0.57 1.25 0.00 0.00 0.00 179.25 181.02 3gi9 h LEU 103 N 0.60 0.97 -0.60 0.00 5.85 -0.72 -1.78 115.31 119.62 3gi9 h LEU 103 Ca 0.23 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 3gi9 h LEU 103 Cb 0.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3gi9 h LEU 103 CO -0.13 0.69 -0.64 -0.26 -0.34 0.00 0.00 178.44 177.76 3gi9 h PHE 104 N 1.14 0.31 -0.13 1.25 0.04 -0.74 -2.54 116.94 116.28 3gi9 h PHE 104 Ca 0.33 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.97 3gi9 h PHE 104 Cb -0.09 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 3gi9 h PHE 104 CO -0.01 0.81 0.06 0.00 -0.60 0.00 0.00 178.31 178.57 3gi9 h ALA 105 N 1.16 0.16 -0.48 2.45 0.00 -0.36 -1.02 119.26 121.17 3gi9 h ALA 105 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gi9 h ALA 105 Cb 1.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3gi9 h ALA 105 CO 0.10 -0.28 0.28 0.87 0.00 0.00 0.00 179.25 180.22 3gi9 h LYS 106 N 0.08 0.65 -0.59 0.00 1.57 -1.38 -2.47 116.57 114.44 3gi9 h LYS 106 Ca 0.04 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3gi9 h LYS 106 Cb 0.12 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3gi9 h LYS 106 CO -0.01 0.48 0.26 0.78 -0.57 0.00 0.00 179.45 180.40 3gi9 h GLY 107 N 0.64 0.89 0.84 3.86 0.00 -1.33 -1.00 103.07 106.97 3gi9 h GLY 107 Ca 0.17 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3gi9 h GLY 107 CO -0.03 0.41 0.04 -2.75 0.00 0.00 0.00 176.54 174.21 3gi9 h PHE 108 N 0.83 0.33 -0.48 5.60 3.57 -1.01 -2.99 116.94 122.79 3gi9 h PHE 108 Ca 0.20 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3gi9 h PHE 108 Cb 0.12 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3gi9 h PHE 108 CO 0.01 0.45 0.17 0.00 -2.23 0.00 0.00 178.31 176.71 3gi9 h ALA 109 N 0.84 1.39 0.00 2.41 0.00 -1.14 -0.44 119.26 122.33 3gi9 h ALA 109 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gi9 h ALA 109 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gi9 h ALA 109 CO 0.00 0.45 0.00 0.78 0.00 0.00 0.00 179.25 180.48 3gi9 h GLY 110 N 0.86 0.00 0.00 0.00 0.00 -1.04 -2.84 103.07 100.04 3gi9 h GLY 110 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3gi9 h GLY 110 CO -0.01 0.00 -0.67 -1.72 0.00 0.00 0.00 176.54 174.14 3gi9 n TYR 111 N -2.51 0.00 -0.04 5.60 4.02 -0.96 -3.21 117.16 120.06 3gi9 n TYR 111 Ca -0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.74 3gi9 n TYR 111 Cb 0.13 -0.03 -0.12 0.00 -0.02 0.00 0.00 39.34 39.30 3gi9 n TYR 111 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3gi9 h PHE 112 N 0.00 0.09 0.04 -0.72 3.57 -0.87 -3.27 116.94 115.79 3gi9 h PHE 112 Ca 0.00 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 3gi9 h PHE 112 Cb 0.09 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3gi9 h PHE 112 CO 0.00 0.87 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.86 3gi9 h LEU 113 N -0.72 -0.05 0.00 0.59 3.38 -1.78 -2.30 115.31 114.43 3gi9 h LEU 113 Ca -0.01 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3gi9 h LEU 113 Cb 0.90 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3gi9 h LEU 113 CO 0.02 0.43 0.00 -2.65 0.09 0.00 0.00 178.44 176.32 3gi9 n PRO 114 N -4.89 0.23 -0.12 1.13 -0.02 -1.26 -2.53 135.00 127.55 3gi9 n PRO 114 Ca -0.08 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.17 3gi9 n PRO 114 Cb 0.25 -1.44 -0.09 0.00 -0.02 0.00 0.00 33.50 32.20 3gi9 n PRO 114 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3gi9 n LEU 115 N -0.94 1.92 0.00 2.45 7.94 -1.07 -5.07 117.00 122.23 3gi9 n LEU 115 Ca 0.05 0.38 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 3gi9 n LEU 115 Cb 0.02 -0.84 0.00 0.00 0.53 0.00 0.00 43.42 43.13 3gi9 n LEU 115 CO 0.04 0.30 0.00 2.30 -1.11 0.00 0.00 177.39 178.92 3gi9 n ILE 116 N -4.35 0.00 0.00 1.96 -5.35 -0.89 -5.12 119.36 105.61 3gi9 n ILE 116 Ca -0.40 0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 3gi9 n ILE 116 Cb 0.74 -1.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.15 3gi9 n ILE 116 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gi9 n ALA 118 N -2.03 0.00 -1.90 -1.28 0.00 -1.26 -5.09 120.51 108.96 3gi9 n ALA 118 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3gi9 n ALA 118 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3gi9 n ALA 118 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gi9 s PRO 119 N -4.87 2.64 -0.27 0.00 0.04 -1.26 -4.82 135.00 126.46 3gi9 s PRO 119 Ca 0.00 0.34 0.02 0.00 0.04 0.00 0.00 61.00 61.40 3gi9 s PRO 119 Cb 0.00 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.59 3gi9 s PRO 119 CO 0.00 -1.15 -0.03 0.42 0.04 0.00 0.00 177.00 176.28 3gi9 s ILE 120 N -3.39 1.78 0.17 0.56 1.09 -1.26 -4.90 121.20 115.25 3gi9 s ILE 120 Ca 0.59 -1.59 -0.14 0.00 -1.10 0.00 0.00 60.65 58.41 3gi9 s ILE 120 Cb -0.11 -2.10 0.01 0.00 -1.06 0.00 0.00 42.46 39.21 3gi9 s ILE 120 CO 0.51 -0.26 0.40 0.54 -0.10 0.00 0.00 174.94 176.03 3gi9 s ASN 121 N 1.24 -0.12 0.49 3.58 4.22 -1.26 -5.02 114.94 118.07 3gi9 s ASN 121 Ca -0.01 -0.63 0.26 0.00 -2.14 0.00 0.00 52.86 50.34 3gi9 s ASN 121 Cb -0.19 0.50 1.33 0.00 1.28 0.00 0.00 41.25 44.17 3gi9 s ASN 121 CO -0.08 -0.96 1.88 0.74 -2.04 0.00 0.00 177.10 176.63 3gi9 h THR 122 N 2.37 0.60 0.02 0.54 2.02 -1.99 0.18 112.91 116.66 3gi9 h THR 122 Ca -0.31 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 3gi9 h THR 122 Cb 1.24 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3gi9 h THR 122 CO 0.43 0.03 -0.46 0.15 0.37 0.00 0.00 175.52 176.04 3gi9 h PHE 123 N 0.16 0.09 -0.75 3.16 3.57 -1.99 -3.08 116.94 118.09 3gi9 h PHE 123 Ca 0.44 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.90 3gi9 h PHE 123 Cb 1.49 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.19 3gi9 h PHE 123 CO -0.00 1.18 0.50 -0.91 -2.23 0.00 0.00 178.31 176.85 3gi9 h ASN 124 N -0.89 0.84 0.10 0.41 4.21 -1.73 -0.88 115.58 117.64 3gi9 h ASN 124 Ca -0.11 -0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.37 3gi9 h ASN 124 Cb 1.19 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.19 3gi9 h ASN 124 CO -0.03 0.60 -0.05 0.40 -1.29 0.00 0.00 177.43 177.06 3gi9 h ILE 125 N 0.98 1.01 -0.63 2.81 1.08 -0.82 -2.40 117.51 119.55 3gi9 h ILE 125 Ca 0.28 -0.41 0.02 0.00 -0.39 0.00 0.00 64.86 64.37 3gi9 h ILE 125 Cb -0.06 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 3gi9 h ILE 125 CO -0.07 0.10 0.42 0.00 -0.69 0.00 0.00 178.15 177.91 3gi9 h ALA 126 N 0.56 1.62 -0.16 1.87 0.00 -1.38 -0.25 119.26 121.51 3gi9 h ALA 126 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3gi9 h ALA 126 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gi9 h ALA 126 CO 0.02 0.32 0.02 0.82 0.00 0.00 0.00 179.25 180.43 3gi9 h ILE 127 N 0.78 1.23 -0.11 0.00 1.08 -1.10 0.30 117.51 119.70 3gi9 h ILE 127 Ca 0.25 -0.75 -0.07 0.00 -0.39 0.00 0.00 64.86 63.90 3gi9 h ILE 127 Cb 0.02 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 3gi9 h ILE 127 CO -0.06 0.22 -0.24 0.74 -0.69 0.00 0.00 178.15 178.12 3gi9 h THR 128 N 0.04 1.22 -0.00 -0.27 2.02 -1.06 -1.32 112.91 113.53 3gi9 h THR 128 Ca 0.05 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 3gi9 h THR 128 Cb 0.33 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3gi9 h THR 128 CO 0.00 0.31 -0.01 -0.33 0.37 0.00 0.00 175.52 175.86 3gi9 h GLU 129 N 0.17 0.02 -0.75 6.66 5.08 -0.88 -2.92 114.58 121.95 3gi9 h GLU 129 Ca 0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3gi9 h GLU 129 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3gi9 h GLU 129 CO 0.04 0.66 0.36 0.82 -1.00 0.00 0.00 179.01 179.89 3gi9 h ILE 130 N -0.63 1.24 -0.75 3.13 2.04 -0.91 -2.56 117.51 119.08 3gi9 h ILE 130 Ca -0.00 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3gi9 h ILE 130 Cb 0.66 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3gi9 h ILE 130 CO 0.00 0.28 0.47 1.23 0.00 0.00 0.00 178.15 180.13 3gi9 h GLY 131 N 1.06 1.07 1.47 5.37 0.00 -1.31 -1.35 103.07 109.37 3gi9 h GLY 131 Ca 0.26 -0.42 -0.28 0.00 0.00 0.00 0.00 47.33 46.88 3gi9 h GLY 131 CO -0.03 0.41 -1.37 1.19 0.00 0.00 0.00 176.54 176.74 3gi9 h ILE 132 N 1.02 1.34 -0.19 2.60 6.09 -1.41 -2.92 117.51 124.05 3gi9 h ILE 132 Ca 0.27 -2.97 -0.05 0.00 -1.37 0.00 0.00 64.86 60.75 3gi9 h ILE 132 Cb -0.07 2.82 -0.01 0.00 0.47 0.00 0.00 36.82 40.04 3gi9 h ILE 132 CO -0.05 0.85 -0.06 0.58 -3.07 0.00 0.00 178.15 176.39 3gi9 h VAL 133 N 0.06 1.29 -0.19 2.19 2.07 -1.36 -2.87 116.25 117.44 3gi9 h VAL 133 Ca -0.18 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 3gi9 h VAL 133 Cb 1.97 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 3gi9 h VAL 133 CO 0.17 0.32 -0.10 0.00 0.02 0.00 0.00 177.57 177.98 3gi9 h ALA 134 N 0.72 1.48 -0.79 1.67 0.00 -1.37 -0.19 119.26 120.79 3gi9 h ALA 134 Ca 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3gi9 h ALA 134 Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3gi9 h ALA 134 CO 0.02 0.37 0.30 0.35 0.00 0.00 0.00 179.25 180.29 3gi9 h PHE 135 N 0.29 1.22 0.00 0.00 3.57 -1.45 -0.54 116.94 120.01 3gi9 h PHE 135 Ca 0.06 -0.10 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 3gi9 h PHE 135 Cb 0.36 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3gi9 h PHE 135 CO 0.01 0.93 -0.58 0.74 -2.23 0.00 0.00 178.31 177.18 3gi9 h PHE 136 N 1.15 0.00 -0.42 0.41 0.04 -1.20 -1.13 116.94 115.79 3gi9 h PHE 136 Ca 0.26 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.91 3gi9 h PHE 136 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3gi9 h PHE 136 CO 0.02 0.58 -0.21 1.15 -0.60 0.00 0.00 178.31 179.25 3gi9 h THR 137 N 0.00 1.27 0.00 -1.55 2.02 -0.73 -3.00 112.91 110.92 3gi9 h THR 137 Ca -0.01 -1.34 -0.08 0.00 0.77 0.00 0.00 66.41 65.75 3gi9 h THR 137 Cb 1.31 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3gi9 h THR 137 CO 0.08 0.45 -0.40 0.00 0.37 0.00 0.00 175.52 176.02 3gi9 h ALA 138 N 1.03 0.77 0.00 6.16 0.00 -1.03 -3.29 119.26 122.89 3gi9 h ALA 138 Ca 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3gi9 h ALA 138 Cb 0.74 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gi9 h ALA 138 CO 0.06 0.50 -0.06 1.25 0.00 0.00 0.00 179.25 181.00 3gi9 h LEU 139 N 0.00 0.00 -1.78 0.00 5.85 -1.05 -1.42 115.31 116.90 3gi9 h LEU 139 Ca -0.00 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.85 3gi9 h LEU 139 Cb 1.25 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 3gi9 h LEU 139 CO 0.05 0.06 0.40 -1.13 -0.34 0.00 0.00 178.44 177.48 3gi9 h ASN 140 N 0.00 0.21 0.04 1.25 -1.24 -1.63 0.43 115.58 114.65 3gi9 h ASN 140 Ca -0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3gi9 h ASN 140 Cb 0.16 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.17 3gi9 h ASN 140 CO 0.01 0.12 -0.36 0.49 -1.29 0.00 0.00 177.43 176.40 3gi9 n PHE 141 N -4.44 0.00 0.00 0.67 3.72 -0.54 -4.71 117.46 112.17 3gi9 n PHE 141 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 3gi9 n PHE 141 Cb 0.50 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 3gi9 n PHE 141 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 3gi9 n PHE 142 N -0.00 0.00 -1.99 1.38 1.16 -1.09 -5.05 117.46 111.87 3gi9 n PHE 142 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 3gi9 n PHE 142 Cb 0.45 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 3gi9 n PHE 142 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3gi9 n GLY 143 N 0.49 0.73 0.26 4.97 0.00 0.08 -4.88 105.19 106.85 3gi9 n GLY 143 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3gi9 n GLY 143 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gi9 h SER 144 N 0.00 0.60 -0.52 1.61 4.64 -0.52 -1.98 113.55 117.39 3gi9 h SER 144 Ca 0.00 -0.16 -0.11 0.00 -0.47 0.00 0.00 61.79 61.05 3gi9 h SER 144 Cb 1.18 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3gi9 h SER 144 CO 0.00 0.74 -0.12 0.11 -0.87 0.00 0.00 176.83 176.69 3gi9 h LYS 145 N 0.57 0.99 -0.19 4.77 1.57 -1.83 -2.21 116.57 120.24 3gi9 h LYS 145 Ca 0.10 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3gi9 h LYS 145 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3gi9 h LYS 145 CO 0.03 1.05 0.07 0.00 -0.57 0.00 0.00 179.45 180.03 3gi9 h ALA 146 N 0.91 0.25 -0.75 3.86 0.00 -1.81 -1.78 119.26 119.93 3gi9 h ALA 146 Ca 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3gi9 h ALA 146 Cb 0.69 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3gi9 h ALA 146 CO 0.05 -0.14 0.25 0.28 0.00 0.00 0.00 179.25 179.70 3gi9 h VAL 147 N 0.14 1.26 -0.34 0.00 2.07 -1.44 -2.88 116.25 115.06 3gi9 h VAL 147 Ca 0.06 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.75 3gi9 h VAL 147 Cb 0.21 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3gi9 h VAL 147 CO -0.00 0.35 0.23 1.23 0.02 0.00 0.00 177.57 179.40 3gi9 h GLY 148 N 1.12 0.33 2.00 2.17 0.00 -1.05 -0.32 103.07 107.32 3gi9 h GLY 148 Ca 0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 3gi9 h GLY 148 CO -0.01 0.09 -0.17 3.21 0.00 0.00 0.00 176.54 179.66 3gi9 h ARG 149 N 0.28 0.00 0.00 4.80 3.08 -1.11 -3.17 114.38 118.26 3gi9 h ARG 149 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3gi9 h ARG 149 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3gi9 h ARG 149 CO -0.03 0.17 -0.72 0.00 -1.07 0.00 0.00 179.97 178.32 3gi9 h ALA 150 N 1.83 0.54 -0.74 0.04 0.00 -1.03 -3.40 119.26 116.50 3gi9 h ALA 150 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 3gi9 h ALA 150 Cb 0.90 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 3gi9 h ALA 150 CO 0.02 0.00 0.25 0.93 0.00 0.00 0.00 179.25 180.45 3gi9 h GLU 151 N 0.00 0.36 -0.68 0.00 5.08 -1.35 -0.92 114.58 117.07 3gi9 h GLU 151 Ca 0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3gi9 h GLU 151 Cb 0.78 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 3gi9 h GLU 151 CO 0.00 0.24 0.27 0.35 -1.00 0.00 0.00 179.01 178.87 3gi9 h PHE 152 N 0.37 1.01 -0.16 4.33 3.57 -1.80 -2.09 116.94 122.17 3gi9 h PHE 152 Ca 0.41 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.78 3gi9 h PHE 152 Cb 0.66 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 3gi9 h PHE 152 CO -0.20 0.77 -0.18 0.35 -2.23 0.00 0.00 178.31 176.83 3gi9 h PHE 153 N 0.98 0.49 -0.85 0.41 3.57 -1.53 -2.86 116.94 117.15 3gi9 h PHE 153 Ca 0.23 -0.15 0.08 0.00 3.53 0.00 0.00 57.97 61.66 3gi9 h PHE 153 Cb 0.19 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 3gi9 h PHE 153 CO 0.02 0.80 0.55 0.82 -2.23 0.00 0.00 178.31 178.26 3gi9 h ILE 154 N 0.04 0.99 -0.15 1.41 2.04 -1.04 -1.37 117.51 119.43 3gi9 h ILE 154 Ca 0.02 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3gi9 h ILE 154 Cb 0.72 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3gi9 h ILE 154 CO 0.04 0.16 -0.05 0.58 0.00 0.00 0.00 178.15 178.88 3gi9 h VAL 155 N 0.87 1.30 -0.88 1.67 2.07 -1.38 -2.19 116.25 117.70 3gi9 h VAL 155 Ca 0.38 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.86 3gi9 h VAL 155 Cb 0.35 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3gi9 h VAL 155 CO -0.15 0.31 0.59 -0.07 0.02 0.00 0.00 177.57 178.26 3gi9 h LEU 156 N -0.01 1.01 -0.08 2.57 3.38 -1.19 -1.89 115.31 119.11 3gi9 h LEU 156 Ca 0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3gi9 h LEU 156 Cb 0.50 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3gi9 h LEU 156 CO 0.02 0.73 -0.07 0.58 0.09 0.00 0.00 178.44 179.79 3gi9 h VAL 157 N 1.19 1.37 0.00 1.22 2.07 -1.25 -2.70 116.25 118.16 3gi9 h VAL 157 Ca 0.33 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3gi9 h VAL 157 Cb -0.13 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3gi9 h VAL 157 CO -0.07 0.34 -0.14 0.07 0.02 0.00 0.00 177.57 177.79 3gi9 h LYS 158 N -0.24 0.00 -0.04 1.57 2.10 -1.30 0.17 116.57 118.83 3gi9 h LYS 158 Ca 0.01 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.51 3gi9 h LYS 158 Cb 0.58 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 3gi9 h LYS 158 CO 0.02 0.14 -0.65 -0.07 -2.00 0.00 0.00 179.45 176.88 3gi9 h LEU 159 N 0.00 0.20 -0.09 7.07 3.38 -1.30 0.09 115.31 124.66 3gi9 h LEU 159 Ca -0.00 -0.12 -0.24 0.00 0.09 0.00 0.00 57.88 57.61 3gi9 h LEU 159 Cb 0.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3gi9 h LEU 159 CO 0.02 0.79 -1.03 -0.07 0.09 0.00 0.00 178.44 178.24 3gi9 h LEU 160 N 0.12 0.51 -0.09 1.67 3.38 -0.91 0.87 115.31 120.86 3gi9 h LEU 160 Ca -0.01 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3gi9 h LEU 160 Cb 1.17 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3gi9 h LEU 160 CO 0.10 1.27 0.03 0.40 0.09 0.00 0.00 178.44 180.32 3gi9 h ILE 161 N 0.19 1.17 0.00 1.22 2.04 -0.64 -1.22 117.51 120.27 3gi9 h ILE 161 Ca -0.10 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3gi9 h ILE 161 Cb 1.69 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 3gi9 h ILE 161 CO 0.18 0.15 -0.25 -0.07 0.00 0.00 0.00 178.15 178.16 3gi9 h LEU 162 N -0.05 0.00 -0.59 1.44 3.38 -1.06 -2.63 115.31 115.80 3gi9 h LEU 162 Ca 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3gi9 h LEU 162 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3gi9 h LEU 162 CO -0.00 0.25 -0.41 1.23 0.09 0.00 0.00 178.44 179.60 3gi9 h GLY 163 N 2.45 0.73 1.39 0.83 0.00 -0.54 -1.79 103.07 106.14 3gi9 h GLY 163 Ca -0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 47.33 46.38 3gi9 h GLY 163 CO 0.03 0.67 -0.81 -2.00 0.00 0.00 0.00 176.54 174.42 3gi9 h LEU 164 N 0.55 0.71 -1.57 3.11 5.85 -1.22 -2.99 115.31 119.75 3gi9 h LEU 164 Ca 0.04 -0.49 0.08 0.00 0.84 0.00 0.00 57.88 58.36 3gi9 h LEU 164 Cb 0.94 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3gi9 h LEU 164 CO 0.08 1.27 0.41 0.15 -0.34 0.00 0.00 178.44 180.01 3gi9 h PHE 165 N 0.38 0.52 0.31 1.25 3.57 -1.28 -0.06 116.94 121.63 3gi9 h PHE 165 Ca -0.06 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3gi9 h PHE 165 Cb 1.43 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.00 3gi9 h PHE 165 CO 0.07 0.26 -0.15 0.82 -2.23 0.00 0.00 178.31 177.08 3gi9 h ILE 166 N 0.51 0.00 0.00 1.41 2.04 -1.32 -3.08 117.51 117.06 3gi9 h ILE 166 Ca 0.28 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 65.33 3gi9 h ILE 166 Cb 0.42 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3gi9 h ILE 166 CO -0.08 0.00 -0.64 -0.26 0.00 0.00 0.00 178.15 177.17 3gi9 h PHE 167 N -1.09 0.00 -0.00 1.37 0.05 -1.42 -2.12 116.94 113.73 3gi9 h PHE 167 Ca -0.04 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.59 3gi9 h PHE 167 Cb 0.32 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.25 3gi9 h PHE 167 CO 0.00 0.64 -0.74 0.00 -0.18 0.00 0.00 178.31 178.03 3gi9 h ALA 168 N 1.36 0.78 0.00 2.45 0.00 -1.20 -3.08 119.26 119.57 3gi9 h ALA 168 Ca -0.01 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 3gi9 h ALA 168 Cb 1.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3gi9 h ALA 168 CO 0.08 0.91 -0.16 0.78 0.00 0.00 0.00 179.25 180.86 3gi9 h GLY 169 N 2.16 0.00 -0.49 0.00 0.00 -1.37 -3.10 103.07 100.27 3gi9 h GLY 169 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3gi9 h GLY 169 CO 0.10 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.68 3gi9 n LEU 170 N -3.29 0.55 -0.04 3.11 4.77 -0.83 -2.58 117.00 118.68 3gi9 n LEU 170 Ca 0.01 -0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 55.67 3gi9 n LEU 170 Cb 0.41 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 3gi9 n LEU 170 CO 0.32 0.13 -0.74 -0.38 -1.33 0.00 0.00 177.39 175.38 3gi9 n ILE 171 N -0.25 0.51 -1.26 -0.08 2.08 -1.17 -4.69 119.36 114.50 3gi9 n ILE 171 Ca 0.01 -0.32 0.01 0.00 0.56 0.00 0.00 62.75 63.02 3gi9 n ILE 171 Cb 0.13 -0.78 0.22 0.00 -0.75 0.00 0.00 39.64 38.45 3gi9 n ILE 171 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3gi9 n THR 172 N -2.27 2.41 -2.09 1.39 -2.24 -1.13 -5.05 114.28 105.30 3gi9 n THR 172 Ca -0.12 -2.39 -0.36 0.00 -2.27 0.00 0.00 64.05 58.90 3gi9 n THR 172 Cb 0.74 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3gi9 n THR 172 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3gi9 s ILE 173 N -3.07 2.78 -0.69 2.28 -4.36 -1.07 -4.78 121.20 112.29 3gi9 s ILE 173 Ca 0.43 0.51 -0.02 0.00 -0.26 0.00 0.00 60.65 61.31 3gi9 s ILE 173 Cb 0.37 -3.22 0.18 0.00 1.25 0.00 0.00 42.46 41.04 3gi9 s ILE 173 CO 0.03 -0.08 0.53 -1.00 0.24 0.00 0.00 174.94 174.66 3gi9 s HIS 174 N -1.59 3.52 0.63 1.37 3.76 -0.20 -4.97 115.29 117.80 3gi9 s HIS 174 Ca 0.73 -2.82 0.36 0.00 -0.15 0.00 0.00 55.06 53.19 3gi9 s HIS 174 Cb -0.30 -3.19 1.98 0.00 1.11 0.00 0.00 32.58 32.19 3gi9 s HIS 174 CO 0.33 -0.80 2.12 -1.35 -0.85 0.00 0.00 174.74 174.19 3gi9 h PRO 175 N 6.71 0.00 0.00 8.40 0.11 -1.95 -0.67 132.00 144.60 3gi9 h PRO 175 Ca 0.03 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 3gi9 h PRO 175 Cb 0.91 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 3gi9 h PRO 175 CO 0.74 0.00 -0.53 0.66 -0.21 0.00 0.00 178.00 178.66 3gi9 h SER 176 N 0.00 0.00 1.43 -2.05 4.64 -1.98 -3.03 113.55 112.56 3gi9 h SER 176 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3gi9 h SER 176 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3gi9 h SER 176 CO 0.00 0.53 -0.59 0.22 -0.87 0.00 0.00 176.83 176.12 3gi9 h TYR 177 N 0.00 0.00 0.00 4.77 3.20 -1.46 -3.35 116.97 120.13 3gi9 h TYR 177 Ca -0.01 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3gi9 h TYR 177 Cb 0.99 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.27 3gi9 h TYR 177 CO 0.00 0.15 -0.18 0.28 -1.64 0.00 0.00 178.16 176.77 3gi9 h VAL 178 N 0.00 1.58 -0.94 1.81 2.07 -1.55 -3.45 116.25 115.76 3gi9 h VAL 178 Ca -0.02 -1.96 -0.82 0.00 0.82 0.00 0.00 66.70 64.72 3gi9 h VAL 178 Cb 1.13 2.85 0.01 0.00 -1.52 0.00 0.00 31.29 33.76 3gi9 h VAL 178 CO 0.02 0.53 0.58 0.00 0.02 0.00 0.00 177.57 178.71 3gi9 n ILE 179 N -4.56 0.00 -1.74 4.57 0.13 -1.15 -4.77 119.36 111.84 3gi9 n ILE 179 Ca -0.10 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.13 3gi9 n ILE 179 Cb 0.48 -0.42 -0.01 0.00 -0.84 0.00 0.00 39.64 38.85 3gi9 n ILE 179 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 3gi9 n PRO 180 N 3.49 2.58 -2.27 9.51 -0.04 -1.26 -4.98 135.00 142.03 3gi9 n PRO 180 Ca 0.28 0.91 -0.34 0.00 -0.04 0.00 0.00 63.50 64.31 3gi9 n PRO 180 Cb -0.04 -2.66 -0.00 0.00 -0.04 0.00 0.00 33.50 30.76 3gi9 n PRO 180 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gi9 s ASP 181 N 0.33 5.81 -0.00 3.54 -1.08 -1.26 -4.99 116.67 119.02 3gi9 s ASP 181 Ca 0.62 2.09 0.02 0.00 -0.52 0.00 0.00 52.55 54.76 3gi9 s ASP 181 Cb -0.52 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 38.35 3gi9 s ASP 181 CO 0.52 -1.15 0.08 0.18 0.52 0.00 0.00 175.17 175.31 3gi9 n LEU 182 N -1.37 0.07 -4.76 -1.34 4.77 -1.26 -4.80 117.00 108.31 3gi9 n LEU 182 Ca 0.11 -0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.32 3gi9 n LEU 182 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3gi9 n LEU 182 CO 0.42 0.02 1.07 0.00 -1.33 0.00 0.00 177.39 177.57 3gi9 s ALA 183 N -1.46 3.57 0.27 -1.18 0.00 -1.26 -4.79 121.76 116.91 3gi9 s ALA 183 Ca 0.00 1.37 0.01 0.00 0.00 0.00 0.00 51.96 53.34 3gi9 s ALA 183 Cb 0.02 -3.54 0.63 0.00 0.00 0.00 0.00 23.12 20.22 3gi9 s ALA 183 CO 0.09 -0.78 1.71 -1.35 0.00 0.00 0.00 175.76 175.42 3gi9 h PRO 184 N 3.99 0.41 0.00 0.00 0.11 -1.98 0.84 132.00 135.37 3gi9 h PRO 184 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3gi9 h PRO 184 Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3gi9 h PRO 184 CO 0.70 0.27 -0.23 0.66 -0.21 0.00 0.00 178.00 179.20 3gi9 h SER 185 N 0.43 0.00 0.54 -2.05 4.64 -1.98 0.12 113.55 115.24 3gi9 h SER 185 Ca 0.51 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.54 3gi9 h SER 185 Cb 0.89 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 3gi9 h SER 185 CO -0.48 0.23 -1.48 0.00 -0.87 0.00 0.00 176.83 174.22 3gi9 h ALA 186 N 1.77 0.36 -0.08 5.18 0.00 -1.51 -2.15 119.26 122.82 3gi9 h ALA 186 Ca -0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 54.91 53.74 3gi9 h ALA 186 Cb 0.79 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3gi9 h ALA 186 CO 0.03 1.22 -0.09 0.28 0.00 0.00 0.00 179.25 180.69 3gi9 h VAL 187 N 0.05 1.38 -0.22 0.00 2.07 -0.70 -0.06 116.25 118.76 3gi9 h VAL 187 Ca -0.22 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 65.94 3gi9 h VAL 187 Cb 1.98 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.78 3gi9 h VAL 187 CO 0.14 0.36 -0.19 0.77 0.02 0.00 0.00 177.57 178.67 3gi9 h SER 188 N -0.23 0.39 -0.50 0.57 4.64 -0.92 -1.18 113.55 116.31 3gi9 h SER 188 Ca 0.01 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.16 3gi9 h SER 188 Cb 0.62 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3gi9 h SER 188 CO 0.02 0.60 0.08 1.23 -0.87 0.00 0.00 176.83 177.89 3gi9 h GLY 189 N 0.95 0.96 1.12 -0.77 0.00 -1.33 0.14 103.07 104.14 3gi9 h GLY 189 Ca 0.06 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 3gi9 h GLY 189 CO 0.04 0.56 -0.13 1.98 0.00 0.00 0.00 176.54 178.99 3gi9 h MET 190 N 0.84 1.02 -0.33 4.80 -1.53 -0.53 -1.64 114.93 117.56 3gi9 h MET 190 Ca 0.17 -0.39 -0.12 0.00 -3.44 0.00 0.00 59.70 55.93 3gi9 h MET 190 Cb 0.38 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 3gi9 h MET 190 CO 0.01 1.07 -0.24 0.82 0.14 0.00 0.00 176.91 178.71 3gi9 h ILE 191 N 0.90 1.29 -0.35 1.77 2.04 -0.97 -2.27 117.51 119.93 3gi9 h ILE 191 Ca 0.14 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 3gi9 h ILE 191 Cb 0.70 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3gi9 h ILE 191 CO 0.05 0.45 0.07 -0.26 0.00 0.00 0.00 178.15 178.46 3gi9 h PHE 192 N 0.52 0.51 -0.15 1.37 0.04 -0.69 -2.48 116.94 116.07 3gi9 h PHE 192 Ca 0.06 -0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.66 3gi9 h PHE 192 Cb 0.81 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 3gi9 h PHE 192 CO 0.07 0.47 -0.52 0.00 -0.60 0.00 0.00 178.31 177.72 3gi9 h ALA 193 N 1.58 0.83 0.00 2.45 0.00 -1.18 -2.98 119.26 119.97 3gi9 h ALA 193 Ca 0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3gi9 h ALA 193 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3gi9 h ALA 193 CO -0.00 0.68 -0.13 0.66 0.00 0.00 0.00 179.25 180.45 3gi9 h SER 194 N 0.32 0.00 -0.19 0.00 4.64 -0.94 0.84 113.55 118.23 3gi9 h SER 194 Ca 0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 3gi9 h SER 194 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3gi9 h SER 194 CO 0.09 0.13 -0.37 0.00 -0.87 0.00 0.00 176.83 175.81 3gi9 h ALA 195 N 1.87 0.30 0.00 5.18 0.00 -1.38 -3.04 119.26 122.18 3gi9 h ALA 195 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3gi9 h ALA 195 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gi9 h ALA 195 CO 0.02 0.38 -0.22 0.82 0.00 0.00 0.00 179.25 180.25 3gi9 h ILE 196 N 0.25 0.46 -0.56 0.00 2.04 -1.39 -3.17 117.51 115.14 3gi9 h ILE 196 Ca 0.01 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.54 3gi9 h ILE 196 Cb 0.97 1.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.87 3gi9 h ILE 196 CO 0.08 0.21 0.13 0.49 0.00 0.00 0.00 178.15 179.07 3gi9 n PHE 197 N -3.28 1.94 0.01 1.37 3.01 0.24 -4.05 117.46 116.70 3gi9 n PHE 197 Ca 0.01 -0.85 -0.09 0.00 1.01 0.00 0.00 57.45 57.53 3gi9 n PHE 197 Cb 0.48 -0.54 0.06 0.00 -0.01 0.00 0.00 39.48 39.47 3gi9 n PHE 197 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3gi9 h PHE 198 N 2.73 0.68 0.00 1.38 -0.00 -1.50 -3.04 116.94 117.18 3gi9 h PHE 198 Ca 0.13 -0.24 -0.00 0.00 -0.00 0.00 0.00 57.97 57.86 3gi9 h PHE 198 Cb 1.94 -0.13 -0.00 0.00 -0.00 0.00 0.00 35.95 37.76 3gi9 h PHE 198 CO 1.02 0.97 -0.00 1.37 -0.00 0.00 0.00 178.31 181.66 3gi9 h LEU 199 N 0.41 0.00 -1.91 0.59 8.10 -1.85 -2.57 115.31 118.09 3gi9 h LEU 199 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.00 3gi9 h LEU 199 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.32 3gi9 h LEU 199 CO 0.10 0.00 0.20 0.28 -4.11 0.00 0.00 178.44 174.91 3gi9 h SER 200 N 0.00 0.00 -1.98 0.17 0.02 -1.82 -2.41 113.55 107.53 3gi9 h SER 200 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3gi9 h SER 200 Cb 0.06 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.18 3gi9 h SER 200 CO 0.00 0.00 -0.73 -1.22 -1.14 0.00 0.00 176.83 173.74 3gi9 n TYR 201 N -2.66 3.45 0.65 3.45 4.01 -0.97 -4.78 117.16 120.31 3gi9 n TYR 201 Ca -0.02 -3.67 0.06 0.00 -0.16 0.00 0.00 57.90 54.11 3gi9 n TYR 201 Cb 0.24 -0.36 0.17 0.00 -0.31 0.00 0.00 39.34 39.09 3gi9 n TYR 201 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gi9 n MET 202 N -0.27 2.09 0.16 -0.72 0.00 -0.91 -4.36 117.12 113.11 3gi9 n MET 202 Ca 0.32 -1.40 0.11 0.00 0.00 0.00 0.00 57.70 56.73 3gi9 n MET 202 Cb 0.51 -1.41 0.58 0.00 0.00 0.00 0.00 33.22 32.90 3gi9 n MET 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gi9 n GLY 203 N 0.94 -0.93 0.36 3.17 0.00 -1.26 -2.48 105.19 104.99 3gi9 n GLY 203 Ca 0.13 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.42 3gi9 n GLY 203 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3gi9 h PHE 204 N 0.00 1.11 0.72 1.61 0.04 -1.96 -3.02 116.94 115.44 3gi9 h PHE 204 Ca 0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 3gi9 h PHE 204 Cb 0.06 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 37.87 3gi9 h PHE 204 CO 0.00 0.37 -0.34 0.78 -0.60 0.00 0.00 178.31 178.52 3gi9 h GLY 205 N 0.91 -1.00 2.00 -1.45 0.00 -1.87 -2.68 103.07 98.98 3gi9 h GLY 205 Ca 0.52 0.37 -0.03 0.00 0.00 0.00 0.00 47.33 48.19 3gi9 h GLY 205 CO -0.31 -0.36 -0.15 -0.39 0.00 0.00 0.00 176.54 175.33 3gi9 h VAL 206 N -1.24 0.85 0.05 4.60 -1.51 -1.76 -1.60 116.25 115.65 3gi9 h VAL 206 Ca -0.10 -0.55 -0.00 0.00 -1.23 0.00 0.00 66.70 64.82 3gi9 h VAL 206 Cb 0.75 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 3gi9 h VAL 206 CO 0.16 0.14 -0.03 0.40 -1.23 0.00 0.00 177.57 177.02 3gi9 h ILE 207 N 0.00 1.14 -0.15 7.19 2.04 -1.60 -3.21 117.51 122.93 3gi9 h ILE 207 Ca -0.00 -1.60 -0.14 0.00 1.00 0.00 0.00 64.86 64.12 3gi9 h ILE 207 Cb 0.31 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3gi9 h ILE 207 CO 0.02 0.35 -0.52 0.71 0.00 0.00 0.00 178.15 178.70 3gi9 h THR 208 N -0.91 1.34 0.00 -0.27 1.35 -1.40 -1.60 112.91 111.41 3gi9 h THR 208 Ca -0.01 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 3gi9 h THR 208 Cb 0.62 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3gi9 h THR 208 CO 0.01 0.54 0.00 0.59 -0.25 0.00 0.00 175.52 176.41 3gi9 n ASN 209 N -3.95 0.00 -0.30 5.36 3.02 -0.61 -2.44 115.26 116.34 3gi9 n ASN 209 Ca -0.02 0.49 0.04 0.00 -0.03 0.00 0.00 54.58 55.06 3gi9 n ASN 209 Cb 0.58 -0.50 0.09 0.00 -0.61 0.00 0.00 39.78 39.34 3gi9 n ASN 209 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gi9 n ALA 210 N -1.50 2.18 -0.31 5.41 0.00 -0.69 -4.71 120.51 120.90 3gi9 n ALA 210 Ca 0.04 -1.36 -0.04 0.00 0.00 0.00 0.00 53.44 52.08 3gi9 n ALA 210 Cb 0.17 -0.25 0.09 0.00 0.00 0.00 0.00 19.45 19.46 3gi9 n ALA 210 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gi9 h SER 211 N 0.84 1.10 0.81 0.00 4.64 -0.99 -0.40 113.55 119.55 3gi9 h SER 211 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3gi9 h SER 211 Cb 0.72 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3gi9 h SER 211 CO 0.02 0.92 0.00 -0.62 -0.87 0.00 0.00 176.83 176.28 3gi9 n GLU 212 N -4.31 0.14 -0.81 4.77 1.02 -1.26 -2.10 120.64 118.10 3gi9 n GLU 212 Ca 0.08 0.31 0.08 0.00 -0.02 0.00 0.00 57.16 57.62 3gi9 n GLU 212 Cb 0.13 -1.74 0.39 0.00 -0.02 0.00 0.00 31.44 30.20 3gi9 n GLU 212 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gi9 n HIS 213 N -2.01 1.88 -5.06 -0.32 8.25 -0.18 -4.91 115.22 112.87 3gi9 n HIS 213 Ca 0.03 -0.70 -0.32 0.00 -0.26 0.00 0.00 57.72 56.47 3gi9 n HIS 213 Cb 0.26 -0.43 -0.16 0.00 1.12 0.00 0.00 29.99 30.78 3gi9 n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gi9 s ILE 214 N -2.49 2.43 0.29 1.59 1.01 -0.89 0.29 121.20 123.43 3gi9 s ILE 214 Ca 0.54 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 3gi9 s ILE 214 Cb 0.39 -1.96 -0.12 0.00 0.01 0.00 0.00 42.46 40.78 3gi9 s ILE 214 CO 0.19 0.55 1.45 -0.62 0.00 0.00 0.00 174.94 176.50 3gi9 n GLU 215 N 3.45 2.33 -3.88 2.79 1.02 -0.29 -3.21 120.64 122.85 3gi9 n GLU 215 Ca -0.19 0.83 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 3gi9 n GLU 215 Cb 0.53 -2.51 0.01 0.00 -0.02 0.00 0.00 31.44 29.45 3gi9 n GLU 215 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3gi9 n ASN 216 N 1.67 -4.70 -0.08 1.62 2.85 -1.26 -4.45 115.26 110.90 3gi9 n ASN 216 Ca 0.08 -1.09 0.02 0.00 -0.11 0.00 0.00 54.58 53.49 3gi9 n ASN 216 Cb 0.35 -1.95 0.34 0.00 1.24 0.00 0.00 39.78 39.76 3gi9 n ASN 216 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3gi9 h PRO 217 N -1.42 0.71 0.00 1.20 0.13 -1.81 0.19 132.00 131.00 3gi9 h PRO 217 Ca -0.65 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.41 3gi9 h PRO 217 Cb 1.39 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3gi9 h PRO 217 CO 0.44 0.49 -0.09 0.87 -0.23 0.00 0.00 178.00 179.48 3gi9 h LYS 218 N 0.72 0.00 0.00 0.86 1.57 -1.86 -1.64 116.57 116.22 3gi9 h LYS 218 Ca 0.19 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.62 3gi9 h LYS 218 Cb -0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 3gi9 h LYS 218 CO -0.04 0.09 -1.95 1.17 -0.57 0.00 0.00 179.45 178.15 3gi9 n LYS 219 N -4.12 0.58 0.16 3.15 4.81 -0.63 -4.41 118.16 117.70 3gi9 n LYS 219 Ca -0.03 0.40 0.12 0.00 -0.87 0.00 0.00 58.31 57.93 3gi9 n LYS 219 Cb 0.17 -1.60 0.12 0.00 0.02 0.00 0.00 35.03 33.74 3gi9 n LYS 219 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3gi9 h ASN 220 N -1.00 0.00 0.02 3.14 2.35 -0.65 -3.04 115.58 116.41 3gi9 h ASN 220 Ca -0.53 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.20 3gi9 h ASN 220 Cb 1.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.83 3gi9 h ASN 220 CO -0.32 0.01 -0.01 0.58 -1.65 0.00 0.00 177.43 176.03 3gi9 h VAL 221 N 0.00 1.41 -0.75 2.81 2.07 -1.51 -0.55 116.25 119.73 3gi9 h VAL 221 Ca 0.00 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.09 3gi9 h VAL 221 Cb 0.98 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 3gi9 h VAL 221 CO 0.00 0.36 0.48 -0.65 0.02 0.00 0.00 177.57 177.78 3gi9 h PRO 222 N -0.66 1.00 -0.48 1.57 0.11 -1.76 -1.96 132.00 129.82 3gi9 h PRO 222 Ca -0.00 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3gi9 h PRO 222 Cb 0.62 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3gi9 h PRO 222 CO 0.01 0.68 0.25 0.00 -0.21 0.00 0.00 178.00 178.73 3gi9 h ARG 223 N 1.02 0.68 -0.27 1.05 3.08 -1.61 -2.30 114.38 116.02 3gi9 h ARG 223 Ca 0.27 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 3gi9 h ARG 223 Cb -0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3gi9 h ARG 223 CO -0.06 0.55 0.17 0.00 -1.07 0.00 0.00 179.97 179.56 3gi9 h ALA 224 N 1.09 0.35 -0.40 0.04 0.00 -0.85 0.28 119.26 119.76 3gi9 h ALA 224 Ca 0.17 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3gi9 h ALA 224 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3gi9 h ALA 224 CO -0.02 -0.16 0.15 0.82 0.00 0.00 0.00 179.25 180.04 3gi9 h ILE 225 N 0.36 0.90 0.02 0.00 2.04 -1.30 -1.12 117.51 118.41 3gi9 h ILE 225 Ca 0.10 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3gi9 h ILE 225 Cb -0.01 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3gi9 h ILE 225 CO -0.02 0.06 -0.01 0.15 0.00 0.00 0.00 178.15 178.33 3gi9 h PHE 226 N 0.33 -0.03 -0.97 1.37 3.57 -1.13 -2.76 116.94 117.33 3gi9 h PHE 226 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3gi9 h PHE 226 Cb 0.15 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 3gi9 h PHE 226 CO -0.14 0.45 0.61 0.82 -2.23 0.00 0.00 178.31 177.82 3gi9 h ILE 227 N -0.53 1.26 -0.40 1.41 2.04 -0.97 -2.96 117.51 117.37 3gi9 h ILE 227 Ca -0.00 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 3gi9 h ILE 227 Cb 0.50 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3gi9 h ILE 227 CO 0.01 0.26 -0.10 -1.28 0.00 0.00 0.00 178.15 177.04 3gi9 h SER 228 N 1.32 0.68 -0.30 1.72 0.87 -1.20 -2.18 113.55 114.46 3gi9 h SER 228 Ca 0.35 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 3gi9 h SER 228 Cb -0.10 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 3gi9 h SER 228 CO -0.07 0.81 -0.19 0.40 -0.53 0.00 0.00 176.83 177.25 3gi9 h ILE 229 N 0.64 1.30 -0.51 2.23 2.04 -1.38 -2.95 117.51 118.86 3gi9 h ILE 229 Ca 0.11 -1.32 -0.09 0.00 1.00 0.00 0.00 64.86 64.57 3gi9 h ILE 229 Cb 0.54 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3gi9 h ILE 229 CO 0.03 0.42 -0.03 -0.07 0.00 0.00 0.00 178.15 178.50 3gi9 h LEU 230 N 0.42 0.87 0.03 1.44 3.38 -1.36 -0.37 115.31 119.72 3gi9 h LEU 230 Ca 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3gi9 h LEU 230 Cb 0.73 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gi9 h LEU 230 CO 0.05 0.95 -0.01 0.40 0.09 0.00 0.00 178.44 179.92 3gi9 h ILE 231 N 0.82 1.12 -0.15 1.22 2.04 -1.45 -2.77 117.51 118.34 3gi9 h ILE 231 Ca 0.15 -0.44 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 3gi9 h ILE 231 Cb 0.53 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3gi9 h ILE 231 CO 0.03 0.11 -0.44 -0.37 0.00 0.00 0.00 178.15 177.48 3gi9 h VAL 232 N -0.23 1.32 -0.23 1.67 -1.51 -1.43 -1.72 116.25 114.12 3gi9 h VAL 232 Ca -0.00 -1.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 3gi9 h VAL 232 Cb 0.21 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 3gi9 h VAL 232 CO 0.01 0.49 0.14 -0.03 -1.23 0.00 0.00 177.57 176.95 3gi9 h MET 233 N 0.29 0.30 -0.22 5.19 -1.53 -1.06 0.76 114.93 118.66 3gi9 h MET 233 Ca 0.02 -0.02 -0.12 0.00 -3.44 0.00 0.00 59.70 56.14 3gi9 h MET 233 Cb 0.90 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.87 3gi9 h MET 233 CO 0.07 0.23 -0.36 0.74 0.14 0.00 0.00 176.91 177.74 3gi9 h PHE 234 N 0.29 0.56 -0.22 1.39 0.04 -1.45 -2.12 116.94 115.44 3gi9 h PHE 234 Ca 0.08 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 3gi9 h PHE 234 Cb -0.00 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 3gi9 h PHE 234 CO -0.05 0.78 -0.01 0.28 -0.60 0.00 0.00 178.31 178.70 3gi9 h VAL 235 N 0.41 1.26 0.08 -0.55 2.07 -0.94 0.01 116.25 118.59 3gi9 h VAL 235 Ca 0.04 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3gi9 h VAL 235 Cb 0.82 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 3gi9 h VAL 235 CO 0.07 0.28 -0.30 1.88 0.02 0.00 0.00 177.57 179.52 3gi9 h TYR 236 N 0.15 -0.82 0.00 1.57 0.05 0.62 -0.40 116.97 118.14 3gi9 h TYR 236 Ca 0.06 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 3gi9 h TYR 236 Cb 0.43 0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.52 3gi9 h TYR 236 CO 0.04 -0.40 -0.00 0.28 -1.05 0.00 0.00 178.16 177.03 3gi9 h VAL 237 N -0.50 1.11 -0.50 -2.88 2.07 -1.42 0.16 116.25 114.29 3gi9 h VAL 237 Ca 0.04 -0.31 0.12 0.00 0.82 0.00 0.00 66.70 67.37 3gi9 h VAL 237 Cb 0.55 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3gi9 h VAL 237 CO -0.20 0.08 0.35 1.23 0.02 0.00 0.00 177.57 179.05 3gi9 h GLY 238 N -0.13 0.21 0.69 2.17 0.00 -0.86 -1.96 103.07 103.18 3gi9 h GLY 238 Ca -0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 47.33 46.97 3gi9 h GLY 238 CO 0.00 0.03 -1.50 -2.08 0.00 0.00 0.00 176.54 172.99 3gi9 h VAL 239 N 0.14 1.03 -0.89 4.60 2.07 -0.83 -3.35 116.25 119.02 3gi9 h VAL 239 Ca 0.23 -2.45 0.03 0.00 0.82 0.00 0.00 66.70 65.34 3gi9 h VAL 239 Cb 0.74 2.76 -0.05 0.00 -1.52 0.00 0.00 31.29 33.22 3gi9 h VAL 239 CO -0.03 0.76 0.59 0.00 0.02 0.00 0.00 177.57 178.90 3gi9 h ALA 240 N 0.02 1.43 -0.15 1.67 0.00 -0.10 -1.73 119.26 120.40 3gi9 h ALA 240 Ca -0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3gi9 h ALA 240 Cb 1.87 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3gi9 h ALA 240 CO 0.11 0.48 0.05 0.82 0.00 0.00 0.00 179.25 180.71 3gi9 h ILE 241 N 1.12 1.18 -0.65 0.00 2.04 -1.56 -2.82 117.51 116.82 3gi9 h ILE 241 Ca 0.35 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3gi9 h ILE 241 Cb 0.01 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3gi9 h ILE 241 CO -0.10 0.17 0.38 -1.28 0.00 0.00 0.00 178.15 177.31 3gi9 h SER 242 N 0.06 0.59 -0.49 1.72 0.87 -1.56 -0.89 113.55 113.85 3gi9 h SER 242 Ca 0.05 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 3gi9 h SER 242 Cb 0.22 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3gi9 h SER 242 CO -0.00 0.40 -0.17 0.00 -0.53 0.00 0.00 176.83 176.53 3gi9 h ALA 243 N 1.31 0.74 0.15 6.23 0.00 -1.31 -3.11 119.26 123.26 3gi9 h ALA 243 Ca 0.27 -0.38 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 3gi9 h ALA 243 Cb 0.10 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3gi9 h ALA 243 CO -0.14 0.67 -1.28 0.82 0.00 0.00 0.00 179.25 179.33 3gi9 h ILE 244 N 0.87 1.34 -0.39 0.00 2.04 -1.42 -3.19 117.51 116.77 3gi9 h ILE 244 Ca 0.12 -2.66 -0.23 0.00 1.00 0.00 0.00 64.86 63.09 3gi9 h ILE 244 Cb 0.74 2.81 -0.12 0.00 -0.74 0.00 0.00 36.82 39.52 3gi9 h ILE 244 CO 0.06 0.80 0.30 0.61 0.00 0.00 0.00 178.15 179.92 3gi9 n GLY 245 N 1.45 3.40 0.00 5.37 0.00 -0.35 -3.52 105.19 111.55 3gi9 n GLY 245 Ca -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3gi9 n GLY 245 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gi9 n ASN 246 N 0.21 0.00 -3.67 1.61 4.13 -1.18 -1.03 115.26 115.33 3gi9 n ASN 246 Ca 0.24 -0.47 -0.11 0.00 1.68 0.00 0.00 54.58 55.93 3gi9 n ASN 246 Cb 0.76 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.91 3gi9 n ASN 246 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3gi9 s LEU 247 N 0.00 -0.42 0.24 3.41 2.96 -1.21 -4.79 118.68 118.88 3gi9 s LEU 247 Ca 0.00 1.20 -0.31 0.00 -0.22 0.00 0.00 54.13 54.80 3gi9 s LEU 247 Cb 0.00 1.94 -0.13 0.00 0.50 0.00 0.00 46.19 48.50 3gi9 s LEU 247 CO 0.00 -0.21 1.55 -0.81 -1.32 0.00 0.00 176.35 175.56 3gi9 n PRO 248 N 3.67 2.41 -0.04 0.98 -0.04 -1.26 -4.61 135.00 136.11 3gi9 n PRO 248 Ca -0.18 0.86 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 3gi9 n PRO 248 Cb 0.57 -2.61 0.48 0.00 -0.04 0.00 0.00 33.50 31.90 3gi9 n PRO 248 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3gi9 h ILE 249 N 3.36 0.97 0.00 0.52 6.09 -1.94 -0.86 117.51 125.65 3gi9 h ILE 249 Ca -0.45 -0.15 -0.08 0.00 -1.37 0.00 0.00 64.86 62.80 3gi9 h ILE 249 Cb 1.24 0.49 -0.01 0.00 0.47 0.00 0.00 36.82 39.01 3gi9 h ILE 249 CO 0.82 0.08 -0.38 -2.24 -3.07 0.00 0.00 178.15 173.36 3gi9 h ASP 250 N 0.44 0.00 0.63 2.19 -0.00 -1.95 -0.46 116.42 117.28 3gi9 h ASP 250 Ca 0.23 0.00 -0.17 0.00 -0.00 0.00 0.00 57.03 57.08 3gi9 h ASP 250 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.64 3gi9 h ASP 250 CO -0.06 0.38 -0.78 -0.33 -0.00 0.00 0.00 179.24 178.45 3gi9 h GLU 251 N 0.00 0.11 -0.24 4.15 5.08 -1.54 -2.05 114.58 120.09 3gi9 h GLU 251 Ca -0.00 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 3gi9 h GLU 251 Cb 0.77 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3gi9 h GLU 251 CO 0.05 0.83 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.43 3gi9 h LEU 252 N 0.07 0.57 -0.64 1.33 3.38 -0.94 0.17 115.31 119.24 3gi9 h LEU 252 Ca -0.02 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 3gi9 h LEU 252 Cb 1.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3gi9 h LEU 252 CO 0.11 0.90 -0.46 0.40 0.09 0.00 0.00 178.44 179.49 3gi9 h ILE 253 N 0.45 1.31 0.81 1.22 2.04 -1.08 -2.80 117.51 119.46 3gi9 h ILE 253 Ca 0.04 -1.66 -0.04 0.00 1.00 0.00 0.00 64.86 64.20 3gi9 h ILE 253 Cb 0.88 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 38.62 3gi9 h ILE 253 CO 0.08 0.52 -0.39 0.11 0.00 0.00 0.00 178.15 178.46 3gi9 h LYS 254 N 0.42 -1.05 -3.16 2.37 1.57 -1.17 -3.27 116.57 112.28 3gi9 h LYS 254 Ca 0.03 0.07 -0.74 0.00 -1.87 0.00 0.00 60.65 58.14 3gi9 h LYS 254 Cb 0.97 0.24 -0.12 0.00 0.08 0.00 0.00 32.23 33.39 3gi9 h LYS 254 CO 0.09 -0.70 2.38 0.00 -0.57 0.00 0.00 179.45 180.64 3gi9 n ALA 255 N -2.70 6.09 0.00 3.86 0.00 0.57 -4.75 120.51 123.58 3gi9 n ALA 255 Ca -0.14 -4.15 -0.12 0.00 0.00 0.00 0.00 53.44 49.04 3gi9 n ALA 255 Cb 0.43 -2.97 -0.10 0.00 0.00 0.00 0.00 19.45 16.82 3gi9 n ALA 255 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gi9 h SER 256 N 5.27 -0.07 -0.12 0.00 0.87 -1.55 -2.95 113.55 115.00 3gi9 h SER 256 Ca 0.56 -0.53 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3gi9 h SER 256 Cb 0.48 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3gi9 h SER 256 CO 1.60 0.54 0.10 -0.33 -0.53 0.00 0.00 176.83 178.22 3gi9 h GLU 257 N -0.73 0.00 -0.91 2.24 3.07 -1.86 -2.46 114.58 113.93 3gi9 h GLU 257 Ca -0.01 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.42 3gi9 h GLU 257 Cb 0.60 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.10 3gi9 h GLU 257 CO 0.01 0.00 -0.96 0.27 -1.40 0.00 0.00 179.01 176.93 3gi9 n ASN 258 N -4.17 3.20 -0.30 1.42 6.94 -1.20 -4.20 115.26 116.95 3gi9 n ASN 258 Ca -0.00 -3.05 0.06 0.00 -0.02 0.00 0.00 54.58 51.57 3gi9 n ASN 258 Cb 0.22 -0.45 0.15 0.00 -2.36 0.00 0.00 39.78 37.34 3gi9 n ASN 258 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gi9 h ALA 259 N 2.58 0.72 0.00 -2.53 0.00 -1.25 0.07 119.26 118.85 3gi9 h ALA 259 Ca 0.11 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 3gi9 h ALA 259 Cb 1.24 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 3gi9 h ALA 259 CO 0.57 -0.43 -0.04 -0.07 0.00 0.00 0.00 179.25 179.28 3gi9 h LEU 260 N 0.02 0.00 -0.07 0.00 3.38 -1.89 -2.90 115.31 113.86 3gi9 h LEU 260 Ca 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 3gi9 h LEU 260 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3gi9 h LEU 260 CO -0.85 0.04 0.00 0.00 0.09 0.00 0.00 178.44 177.73 3gi9 h ALA 261 N 1.96 0.09 -0.36 1.53 0.00 -1.32 -3.15 119.26 118.01 3gi9 h ALA 261 Ca -0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3gi9 h ALA 261 Cb 0.86 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3gi9 h ALA 261 CO 0.01 -0.23 -0.43 0.28 0.00 0.00 0.00 179.25 178.87 3gi9 h VAL 262 N -0.16 1.27 0.00 0.00 2.07 -1.58 -3.24 116.25 114.61 3gi9 h VAL 262 Ca 0.02 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.94 3gi9 h VAL 262 Cb 0.33 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3gi9 h VAL 262 CO 0.00 0.53 0.00 0.00 0.02 0.00 0.00 177.57 178.13 3gi9 h ALA 263 N 0.74 1.00 0.00 1.67 0.00 -1.53 -1.75 119.26 119.39 3gi9 h ALA 263 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3gi9 h ALA 263 Cb 1.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3gi9 h ALA 263 CO 0.10 0.00 -1.18 0.00 0.00 0.00 0.00 179.25 178.18 3gi9 h ALA 264 N 2.07 0.64 -0.65 0.00 0.00 -1.57 -3.39 119.26 116.36 3gi9 h ALA 264 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 54.91 54.14 3gi9 h ALA 264 Cb 0.13 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3gi9 h ALA 264 CO 0.00 0.96 0.37 0.87 0.00 0.00 0.00 179.25 181.44 3gi9 h LYS 265 N 0.00 0.67 0.00 0.00 1.57 -1.45 0.15 116.57 117.50 3gi9 h LYS 265 Ca -0.12 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3gi9 h LYS 265 Cb 1.60 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3gi9 h LYS 265 CO 0.06 0.44 0.00 -2.30 -0.57 0.00 0.00 179.45 177.08 3gi9 n PRO 266 N -4.78 0.13 0.00 3.15 -0.02 -1.26 -2.29 135.00 129.92 3gi9 n PRO 266 Ca 0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3gi9 n PRO 266 Cb 0.15 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3gi9 n PRO 266 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3gi9 n PHE 267 N -2.13 0.00 0.00 6.00 -1.74 -0.94 -4.88 117.46 113.78 3gi9 n PHE 267 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3gi9 n PHE 267 Cb 0.07 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.07 3gi9 n PHE 267 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 3gi9 n LEU 268 N -0.05 0.00 0.00 5.98 4.77 0.47 -5.00 117.00 123.17 3gi9 n LEU 268 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3gi9 n LEU 268 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3gi9 n LEU 268 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3gi9 n GLY 269 N 1.36 -0.34 0.14 -0.72 0.00 -0.97 -3.66 105.19 101.01 3gi9 n GLY 269 Ca 0.00 -1.38 0.06 0.00 0.00 0.00 0.00 46.02 44.70 3gi9 n GLY 269 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gi9 h ASN 270 N 4.93 0.00 -0.33 1.61 2.35 -1.93 -2.50 115.58 119.71 3gi9 h ASN 270 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3gi9 h ASN 270 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3gi9 h ASN 270 CO 0.00 0.31 0.08 -0.07 -1.65 0.00 0.00 177.43 176.10 3gi9 h LEU 271 N 0.00 0.58 0.20 1.61 3.38 -2.00 -1.47 115.31 117.61 3gi9 h LEU 271 Ca -0.04 -0.09 -0.33 0.00 0.09 0.00 0.00 57.88 57.51 3gi9 h LEU 271 Cb 1.27 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.89 3gi9 h LEU 271 CO 0.03 0.59 -1.50 1.23 0.09 0.00 0.00 178.44 178.88 3gi9 h GLY 272 N 0.85 0.49 0.82 0.83 0.00 -1.63 -3.08 103.07 101.34 3gi9 h GLY 272 Ca 0.14 -1.24 0.02 0.00 0.00 0.00 0.00 47.33 46.25 3gi9 h GLY 272 CO 0.00 1.09 0.04 -2.75 0.00 0.00 0.00 176.54 174.91 3gi9 h PHE 273 N 0.12 0.06 -0.53 5.60 3.57 -1.34 -1.62 116.94 122.79 3gi9 h PHE 273 Ca -0.25 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.19 3gi9 h PHE 273 Cb 2.10 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.82 3gi9 h PHE 273 CO 0.10 0.02 0.08 1.25 -2.23 0.00 0.00 178.31 177.53 3gi9 h LEU 274 N 0.11 0.85 -0.59 0.59 7.12 -1.41 -1.14 115.31 120.84 3gi9 h LEU 274 Ca 0.08 -0.26 0.03 0.00 0.13 0.00 0.00 57.88 57.85 3gi9 h LEU 274 Cb 0.07 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 39.93 3gi9 h LEU 274 CO -0.10 0.90 0.35 0.25 -0.13 0.00 0.00 178.44 179.71 3gi9 h LEU 275 N 0.77 0.57 -0.66 2.25 5.85 -1.42 0.31 115.31 122.97 3gi9 h LEU 275 Ca 0.16 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 3gi9 h LEU 275 Cb 0.42 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3gi9 h LEU 275 CO 0.01 0.39 -0.50 0.40 -0.34 0.00 0.00 178.44 178.41 3gi9 h ILE 276 N 0.69 1.33 0.00 4.05 1.08 -1.16 0.94 117.51 124.44 3gi9 h ILE 276 Ca 0.24 -1.73 -0.00 0.00 -0.39 0.00 0.00 64.86 62.98 3gi9 h ILE 276 Cb 0.04 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 3gi9 h ILE 276 CO -0.11 0.53 -0.00 0.28 -0.69 0.00 0.00 178.15 178.16 3gi9 h SER 277 N 0.34 -0.00 -0.20 1.72 0.02 -0.67 -1.54 113.55 113.23 3gi9 h SER 277 Ca 0.02 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 3gi9 h SER 277 Cb 1.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3gi9 h SER 277 CO 0.09 0.39 0.09 0.40 -1.14 0.00 0.00 176.83 176.65 3gi9 h ILE 278 N -0.40 1.15 -0.20 3.27 1.08 -0.42 -2.70 117.51 119.30 3gi9 h ILE 278 Ca -0.00 -0.44 0.03 0.00 -0.39 0.00 0.00 64.86 64.07 3gi9 h ILE 278 Cb 0.39 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 3gi9 h ILE 278 CO 0.00 0.14 0.14 1.23 -0.69 0.00 0.00 178.15 178.97 3gi9 h GLY 279 N 0.18 0.13 0.66 5.37 0.00 -0.84 -2.63 103.07 105.93 3gi9 h GLY 279 Ca 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 3gi9 h GLY 279 CO -0.01 0.04 -0.17 0.00 0.00 0.00 0.00 176.54 176.40 3gi9 h ALA 280 N 1.89 0.14 -0.53 3.60 0.00 -1.05 -2.59 119.26 120.72 3gi9 h ALA 280 Ca 0.09 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3gi9 h ALA 280 Cb 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gi9 h ALA 280 CO -0.01 0.06 0.35 -0.07 0.00 0.00 0.00 179.25 179.58 3gi9 h LEU 281 N -0.17 0.60 -0.52 0.00 3.38 -1.16 -1.27 115.31 116.18 3gi9 h LEU 281 Ca 0.00 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3gi9 h LEU 281 Cb 0.75 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3gi9 h LEU 281 CO 0.04 0.44 -0.72 -0.26 0.09 0.00 0.00 178.44 178.02 3gi9 h PHE 282 N 0.71 0.19 -0.16 1.13 0.04 -1.63 -0.97 116.94 116.25 3gi9 h PHE 282 Ca 0.19 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.88 3gi9 h PHE 282 Cb -0.08 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3gi9 h PHE 282 CO -0.04 0.81 0.09 1.03 -0.60 0.00 0.00 178.31 179.60 3gi9 h SER 283 N 0.09 0.13 -0.47 2.17 0.87 -1.04 -0.61 113.55 114.70 3gi9 h SER 283 Ca -0.02 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.42 3gi9 h SER 283 Cb 1.28 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 3gi9 h SER 283 CO 0.11 0.10 -0.19 0.40 -0.53 0.00 0.00 176.83 176.72 3gi9 h ILE 284 N 0.18 1.27 -0.02 2.23 2.04 -1.21 -2.23 117.51 119.77 3gi9 h ILE 284 Ca 0.06 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.61 3gi9 h ILE 284 Cb 0.01 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3gi9 h ILE 284 CO -0.04 0.47 -0.17 0.28 0.00 0.00 0.00 178.15 178.68 3gi9 h SER 285 N 0.85 -0.51 0.43 1.72 0.02 -0.92 0.18 113.55 115.32 3gi9 h SER 285 Ca 0.12 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3gi9 h SER 285 Cb 0.75 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3gi9 h SER 285 CO 0.06 -0.23 -0.30 0.77 -1.14 0.00 0.00 176.83 175.99 3gi9 h SER 286 N -0.27 0.00 -0.02 3.07 4.64 -1.10 -1.65 113.55 118.22 3gi9 h SER 286 Ca 0.06 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 3gi9 h SER 286 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3gi9 h SER 286 CO -0.18 0.30 -0.66 0.00 -0.87 0.00 0.00 176.83 175.42 3gi9 h ALA 287 N 1.70 0.53 -0.15 5.18 0.00 -0.87 -2.36 119.26 123.29 3gi9 h ALA 287 Ca -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 3gi9 h ALA 287 Cb 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gi9 h ALA 287 CO 0.04 0.71 -0.06 0.52 0.00 0.00 0.00 179.25 180.45 3gi9 h MET 288 N 0.46 0.31 -0.97 0.00 2.86 -0.65 -1.26 114.93 115.69 3gi9 h MET 288 Ca -0.02 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.56 3gi9 h MET 288 Cb 1.25 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.83 3gi9 h MET 288 CO 0.13 0.62 0.62 -0.97 1.06 0.00 0.00 176.91 178.37 3gi9 h ASN 289 N -0.02 0.97 0.23 1.22 -0.00 -1.34 0.14 115.58 116.78 3gi9 h ASN 289 Ca 0.03 0.02 -0.17 0.00 -0.00 0.00 0.00 56.30 56.18 3gi9 h ASN 289 Cb 0.53 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.65 3gi9 h ASN 289 CO 0.02 0.61 -0.65 0.00 -0.00 0.00 0.00 177.43 177.40 3gi9 h ALA 290 N 1.45 0.68 -0.15 1.57 0.00 -1.39 0.77 119.26 122.19 3gi9 h ALA 290 Ca 0.43 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3gi9 h ALA 290 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gi9 h ALA 290 CO -0.19 0.74 -0.50 1.15 0.00 0.00 0.00 179.25 180.45 3gi9 h THR 291 N 0.29 1.33 0.01 0.00 2.02 -0.46 -3.02 112.91 113.08 3gi9 h THR 291 Ca -0.02 -1.77 -0.00 0.00 0.77 0.00 0.00 66.41 65.40 3gi9 h THR 291 Cb 1.20 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 3gi9 h THR 291 CO 0.11 0.54 -0.00 0.40 0.37 0.00 0.00 175.52 176.94 3gi9 h ILE 292 N 0.27 1.23 -3.42 3.11 2.04 -0.83 0.35 117.51 120.26 3gi9 h ILE 292 Ca -0.02 -1.88 -0.79 0.00 1.00 0.00 0.00 64.86 63.17 3gi9 h ILE 292 Cb 1.13 2.30 -0.29 0.00 -0.74 0.00 0.00 36.82 39.22 3gi9 h ILE 292 CO 0.11 0.41 0.42 -1.22 0.00 0.00 0.00 178.15 177.87 3gi9 n TYR 293 N -4.68 4.72 0.00 1.37 4.01 0.26 -2.33 117.16 120.51 3gi9 n TYR 293 Ca -0.07 -3.76 0.00 0.00 -0.16 0.00 0.00 57.90 53.91 3gi9 n TYR 293 Cb 0.33 -1.56 0.00 0.00 -0.31 0.00 0.00 39.34 37.80 3gi9 n TYR 293 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gi9 n GLY 294 N 2.41 2.05 0.66 2.72 0.00 -1.16 -4.46 105.19 107.41 3gi9 n GLY 294 Ca 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 3gi9 n GLY 294 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi9 n GLY 295 N 0.00 -0.09 0.28 -0.02 0.00 -1.14 -4.54 105.19 99.67 3gi9 n GLY 295 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3gi9 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi9 h ALA 296 N -0.68 1.02 -0.86 4.61 0.00 -0.35 0.17 119.26 123.17 3gi9 h ALA 296 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gi9 h ALA 296 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3gi9 h ALA 296 CO 0.00 0.01 0.55 -2.95 0.00 0.00 0.00 179.25 176.86 3gi9 h ASN 297 N 0.67 1.01 0.05 0.00 -1.07 -1.71 0.43 115.58 114.97 3gi9 h ASN 297 Ca 0.35 -0.04 -0.00 0.00 0.07 0.00 0.00 56.30 56.68 3gi9 h ASN 297 Cb 0.33 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 3gi9 h ASN 297 CO -0.25 0.75 -0.03 0.58 0.07 0.00 0.00 177.43 178.56 3gi9 h VAL 298 N 1.18 1.25 -0.39 6.14 2.07 -1.62 -2.95 116.25 121.93 3gi9 h VAL 298 Ca 0.31 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3gi9 h VAL 298 Cb -0.10 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3gi9 h VAL 298 CO -0.06 0.27 0.16 0.00 0.02 0.00 0.00 177.57 177.96 3gi9 h ALA 299 N 0.33 1.55 0.33 1.67 0.00 -0.91 -1.98 119.26 120.25 3gi9 h ALA 299 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3gi9 h ALA 299 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gi9 h ALA 299 CO 0.01 0.35 -0.16 -0.92 0.00 0.00 0.00 179.25 178.54 3gi9 h TYR 300 N 0.55 -0.41 -0.29 0.00 3.20 -0.96 -1.90 116.97 117.17 3gi9 h TYR 300 Ca 0.14 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 3gi9 h TYR 300 Cb 0.11 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3gi9 h TYR 300 CO 0.00 -0.09 0.17 0.77 -1.64 0.00 0.00 178.16 177.37 3gi9 h SER 301 N -0.74 0.34 -0.23 -2.11 0.02 -1.40 0.94 113.55 110.35 3gi9 h SER 301 Ca -0.05 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 3gi9 h SER 301 Cb 0.50 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3gi9 h SER 301 CO 0.07 0.26 -0.15 0.25 -1.14 0.00 0.00 176.83 176.13 3gi9 h LEU 302 N 0.39 0.54 -1.00 5.07 5.85 -1.36 0.01 115.31 124.80 3gi9 h LEU 302 Ca 0.10 -0.43 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 3gi9 h LEU 302 Cb -0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3gi9 h LEU 302 CO -0.02 0.85 -0.43 0.00 -0.34 0.00 0.00 178.44 178.50 3gi9 h ALA 303 N 0.70 1.17 0.04 1.25 0.00 -0.76 -0.83 119.26 120.83 3gi9 h ALA 303 Ca 0.05 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.30 3gi9 h ALA 303 Cb 0.67 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.40 3gi9 h ALA 303 CO 0.04 0.58 -0.98 -0.22 0.00 0.00 0.00 179.25 178.68 3gi9 h LYS 304 N 0.11 0.59 0.00 0.00 3.64 -0.75 -3.40 116.57 116.76 3gi9 h LYS 304 Ca 0.01 -0.69 -0.03 0.00 -1.27 0.00 0.00 60.65 58.67 3gi9 h LYS 304 Cb 0.81 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3gi9 h LYS 304 CO 0.06 1.28 -1.72 -0.25 -2.27 0.00 0.00 179.45 176.56 3gi9 n ASP 305 N -3.95 1.56 0.00 4.20 8.00 -0.02 -4.97 116.55 121.37 3gi9 n ASP 305 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3gi9 n ASP 305 Cb 0.86 1.60 0.00 0.00 -0.02 0.00 0.00 41.12 43.55 3gi9 n ASP 305 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gi9 n GLY 306 N 1.70 1.20 3.84 0.44 0.00 -0.32 -4.72 105.19 107.34 3gi9 n GLY 306 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 3gi9 n GLY 306 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gi9 s GLU 307 N -0.34 1.67 0.19 1.61 -1.05 -1.25 -3.83 118.70 115.69 3gi9 s GLU 307 Ca 0.00 -0.93 0.10 0.00 -0.15 0.00 0.00 54.97 53.99 3gi9 s GLU 307 Cb 0.00 0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 34.22 3gi9 s GLU 307 CO 0.00 -0.77 -0.16 -0.51 0.95 0.00 0.00 175.26 174.77 3gi9 s LEU 308 N -2.93 2.71 0.53 1.83 1.43 -1.26 -4.34 118.68 116.66 3gi9 s LEU 308 Ca 0.11 -0.72 -0.22 0.00 -1.03 0.00 0.00 54.13 52.27 3gi9 s LEU 308 Cb -0.05 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 3gi9 s LEU 308 CO 0.06 0.11 1.32 -2.84 0.23 0.00 0.00 176.35 175.23 3gi9 s PRO 309 N -2.77 3.28 0.27 1.29 0.02 -1.26 -4.93 135.00 130.91 3gi9 s PRO 309 Ca 0.23 2.14 0.10 0.00 0.02 0.00 0.00 61.00 63.49 3gi9 s PRO 309 Cb -0.08 -2.30 0.36 0.00 0.02 0.00 0.00 34.50 32.50 3gi9 s PRO 309 CO 0.13 -1.05 1.61 1.49 -0.33 0.00 0.00 177.00 178.85 3gi9 h GLU 310 N 1.60 0.00 -3.88 5.54 4.81 -2.01 -3.42 114.58 117.22 3gi9 h GLU 310 Ca -0.51 -0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.24 3gi9 h GLU 310 Cb 1.29 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.29 3gi9 h GLU 310 CO 0.58 0.62 -0.78 -0.06 -0.73 0.00 0.00 179.01 178.64 3gi9 s PHE 311 N -3.62 1.05 0.02 0.92 0.08 -1.26 -4.88 117.98 110.28 3gi9 s PHE 311 Ca -0.01 -0.50 -0.26 0.00 0.12 0.00 0.00 56.93 56.28 3gi9 s PHE 311 Cb 0.13 -1.00 0.06 0.00 -0.57 0.00 0.00 43.02 41.63 3gi9 s PHE 311 CO 0.76 -0.44 0.58 -0.59 -0.10 0.00 0.00 175.22 175.43 3gi9 s PHE 312 N 1.85 -0.52 -0.30 0.36 -0.12 -1.26 -5.13 117.98 112.85 3gi9 s PHE 312 Ca 0.04 0.72 -0.27 0.00 -0.05 0.00 0.00 56.93 57.37 3gi9 s PHE 312 Cb -0.13 0.38 0.01 0.00 -0.63 0.00 0.00 43.02 42.65 3gi9 s PHE 312 CO -0.07 -0.64 0.97 -2.00 -0.05 0.00 0.00 175.22 173.43 3gi9 s GLU 313 N -1.99 4.05 0.30 1.99 2.56 -1.26 -4.89 118.70 119.45 3gi9 s GLU 313 Ca -0.08 0.93 0.02 0.00 0.00 0.00 0.00 54.97 55.84 3gi9 s GLU 313 Cb -0.01 -3.72 0.46 0.00 2.00 0.00 0.00 34.13 32.86 3gi9 s GLU 313 CO 0.02 -0.79 1.79 0.00 -0.56 0.00 0.00 175.26 175.72 3gi9 h ARG 314 N 8.03 0.59 -0.67 4.30 3.08 -1.96 -3.27 114.38 124.48 3gi9 h ARG 314 Ca -0.22 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3gi9 h ARG 314 Cb 1.07 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3gi9 h ARG 314 CO 0.97 0.67 0.00 1.63 -1.07 0.00 0.00 179.97 182.17 3gi9 n LYS 315 N -4.21 2.96 -4.23 0.04 4.76 -1.26 -3.01 118.16 113.21 3gi9 n LYS 315 Ca 0.01 -1.79 -0.13 0.00 -2.87 0.00 0.00 58.31 53.53 3gi9 n LYS 315 Cb 0.31 -1.79 -0.10 0.00 -1.84 0.00 0.00 35.03 31.62 3gi9 n LYS 315 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3gi9 s VAL 316 N -1.87 0.62 -0.85 -0.18 -7.23 -1.23 -3.44 120.40 106.22 3gi9 s VAL 316 Ca 0.32 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.27 3gi9 s VAL 316 Cb 0.22 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 35.07 3gi9 s VAL 316 CO 0.12 -0.49 1.67 0.86 -0.31 0.00 0.00 175.10 176.95 3gi9 s TRP 317 N -3.69 2.07 -0.40 2.82 -0.11 -1.26 -4.82 118.94 113.55 3gi9 s TRP 317 Ca 0.23 0.11 0.26 0.00 1.22 0.00 0.00 56.10 57.92 3gi9 s TRP 317 Cb 0.06 -4.35 0.69 0.00 -1.50 0.00 0.00 33.47 28.38 3gi9 s TRP 317 CO 0.03 -1.97 1.73 0.27 -4.62 0.00 0.00 176.95 172.39 3gi9 h PHE 318 N 11.36 0.00 -2.40 5.86 -5.15 -1.92 -3.46 116.94 121.23 3gi9 h PHE 318 Ca -0.01 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.68 3gi9 h PHE 318 Cb 1.05 0.00 -0.20 0.00 0.22 0.00 0.00 35.95 37.02 3gi9 h PHE 318 CO 1.19 0.00 0.00 0.21 -2.00 0.00 0.00 178.31 177.71 3gi9 s LYS 319 N -3.28 0.88 -0.63 6.09 2.20 -1.26 -5.00 119.74 118.74 3gi9 s LYS 319 Ca 0.06 0.16 -0.11 0.00 -0.36 0.00 0.00 55.97 55.73 3gi9 s LYS 319 Cb 0.08 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.82 3gi9 s LYS 319 CO 0.61 -0.25 0.65 0.43 -0.36 0.00 0.00 175.35 176.42 3gi9 n SER 320 N 1.25 -6.78 0.24 1.43 7.64 -1.26 -4.88 113.62 111.26 3gi9 n SER 320 Ca -0.19 -0.13 0.07 0.00 1.01 0.00 0.00 58.87 59.63 3gi9 n SER 320 Cb 0.57 -3.89 0.60 0.00 -1.01 0.00 0.00 64.21 60.48 3gi9 n SER 320 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3gi9 h THR 321 N 0.97 1.04 -0.52 0.44 2.02 -1.95 -1.90 112.91 113.00 3gi9 h THR 321 Ca -0.24 -0.16 0.10 0.00 0.77 0.00 0.00 66.41 66.88 3gi9 h THR 321 Cb 1.16 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 3gi9 h THR 321 CO 0.28 0.05 0.36 1.05 0.37 0.00 0.00 175.52 177.62 3gi9 h GLU 322 N 0.02 0.24 -0.18 6.66 9.09 -2.00 -0.08 114.58 128.33 3gi9 h GLU 322 Ca 0.01 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.37 3gi9 h GLU 322 Cb 0.08 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 3gi9 h GLU 322 CO 0.00 0.16 -0.00 0.78 0.05 0.00 0.00 179.01 180.00 3gi9 h GLY 323 N 0.25 0.29 0.99 1.06 0.00 -1.68 -1.71 103.07 102.27 3gi9 h GLY 323 Ca 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3gi9 h GLY 323 CO -0.05 0.13 0.33 -2.00 0.00 0.00 0.00 176.54 174.96 3gi9 h LEU 324 N 0.26 0.66 -0.27 3.11 5.85 -1.14 0.49 115.31 124.28 3gi9 h LEU 324 Ca 0.06 -0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.53 3gi9 h LEU 324 Cb 0.19 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3gi9 h LEU 324 CO 0.00 0.53 -0.63 1.88 -0.34 0.00 0.00 178.44 179.88 3gi9 h TYR 325 N 0.74 1.06 -0.18 1.25 0.05 -1.49 -1.70 116.97 116.69 3gi9 h TYR 325 Ca 0.20 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.57 3gi9 h TYR 325 Cb -0.01 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 3gi9 h TYR 325 CO -0.02 1.23 0.11 0.82 -1.05 0.00 0.00 178.16 179.25 3gi9 h ILE 326 N 0.60 1.06 -0.89 -2.88 2.04 -1.20 0.26 117.51 116.51 3gi9 h ILE 326 Ca -0.01 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3gi9 h ILE 326 Cb 1.24 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 3gi9 h ILE 326 CO 0.13 0.06 0.56 0.74 0.00 0.00 0.00 178.15 179.65 3gi9 h THR 327 N 0.22 1.11 -0.22 -0.27 2.02 -0.88 -1.39 112.91 113.51 3gi9 h THR 327 Ca 0.06 -0.37 -0.16 0.00 0.77 0.00 0.00 66.41 66.72 3gi9 h THR 327 Cb -0.00 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.35 3gi9 h THR 327 CO -0.01 0.20 -0.51 0.28 0.37 0.00 0.00 175.52 175.85 3gi9 h SER 328 N 1.07 0.66 0.57 4.18 0.02 -1.01 -2.31 113.55 116.72 3gi9 h SER 328 Ca 0.37 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3gi9 h SER 328 Cb 0.07 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.43 3gi9 h SER 328 CO -0.14 1.05 -0.27 0.00 -1.14 0.00 0.00 176.83 176.32 3gi9 h ALA 329 N 0.97 -0.76 0.00 3.77 0.00 0.02 -2.56 119.26 120.70 3gi9 h ALA 329 Ca 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gi9 h ALA 329 Cb 1.05 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3gi9 h ALA 329 CO 0.10 -0.74 -0.02 -0.07 0.00 0.00 0.00 179.25 178.51 3gi9 h LEU 330 N -1.13 0.00 -1.16 0.00 3.38 -1.41 0.20 115.31 115.19 3gi9 h LEU 330 Ca -0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3gi9 h LEU 330 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3gi9 h LEU 330 CO 0.13 0.02 -0.19 1.23 0.09 0.00 0.00 178.44 179.72 3gi9 h GLY 331 N 0.62 0.39 0.99 0.83 0.00 -1.31 -2.37 103.07 102.21 3gi9 h GLY 331 Ca -0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 47.33 46.73 3gi9 h GLY 331 CO 0.00 0.25 -1.51 -2.08 0.00 0.00 0.00 176.54 173.21 3gi9 h VAL 332 N 0.33 1.15 -0.01 4.60 2.07 -0.63 -3.19 116.25 120.56 3gi9 h VAL 332 Ca 0.06 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3gi9 h VAL 332 Cb 0.52 2.92 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 3gi9 h VAL 332 CO 0.03 0.81 0.06 0.25 0.02 0.00 0.00 177.57 178.74 3gi9 h LEU 333 N 0.03 0.00 0.00 2.57 5.85 -0.97 0.19 115.31 122.98 3gi9 h LEU 333 Ca -0.28 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 3gi9 h LEU 333 Cb 2.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.06 3gi9 h LEU 333 CO 0.20 0.00 -1.63 0.49 -0.34 0.00 0.00 178.44 177.16 3gi9 n PHE 334 N -3.15 0.54 0.13 1.25 3.72 -0.90 -3.84 117.46 115.21 3gi9 n PHE 334 Ca -0.03 0.17 0.07 0.00 -0.05 0.00 0.00 57.45 57.62 3gi9 n PHE 334 Cb 0.13 -0.86 0.04 0.00 -0.94 0.00 0.00 39.48 37.85 3gi9 n PHE 334 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gi9 h ALA 335 N 1.69 0.71 0.04 4.37 0.00 -0.98 -3.26 119.26 121.84 3gi9 h ALA 335 Ca -0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3gi9 h ALA 335 Cb 1.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3gi9 h ALA 335 CO 0.02 0.32 -0.02 -0.07 0.00 0.00 0.00 179.25 179.50 3gi9 h LEU 336 N 0.00 -0.05 0.19 0.00 3.38 -0.89 -3.41 115.31 114.54 3gi9 h LEU 336 Ca -0.03 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 3gi9 h LEU 336 Cb 1.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3gi9 h LEU 336 CO 0.02 0.70 -0.09 -0.07 0.09 0.00 0.00 178.44 179.09 3gi9 h LEU 337 N -0.90 -0.22-10.23 1.67 3.38 -1.73 -3.46 115.31 103.82 3gi9 h LEU 337 Ca -0.01 0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3gi9 h LEU 337 Cb 0.66 0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.49 3gi9 h LEU 337 CO 0.01 -0.12 0.26 -0.36 0.09 0.00 0.00 178.44 178.32 3gi9 s PHE 338 N -3.02 3.51 0.75 1.13 0.08 -1.23 -5.10 117.98 114.11 3gi9 s PHE 338 Ca -0.04 1.19 -0.04 0.00 0.12 0.00 0.00 56.93 58.16 3gi9 s PHE 338 Cb 0.00 -2.58 0.16 0.00 -0.57 0.00 0.00 43.02 40.03 3gi9 s PHE 338 CO 0.11 -0.33 1.03 0.27 -0.10 0.00 0.00 175.22 176.20 3gi9 n ASN 339 N -1.81 1.00 -0.29 1.36 0.23 -1.26 -4.73 115.26 109.76 3gi9 n ASN 339 Ca 0.04 -1.93 0.08 0.00 -0.53 0.00 0.00 54.58 52.23 3gi9 n ASN 339 Cb 0.54 -0.70 0.30 0.00 -2.08 0.00 0.00 39.78 37.83 3gi9 n ASN 339 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 3gi9 h MET 340 N 0.00 0.86 -0.62 -3.83 1.85 -1.98 -0.14 114.93 111.07 3gi9 h MET 340 Ca -0.34 -0.05 -0.05 0.00 -0.61 0.00 0.00 59.70 58.65 3gi9 h MET 340 Cb 1.16 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.97 3gi9 h MET 340 CO 0.33 0.57 0.18 1.49 -0.40 0.00 0.00 176.91 179.07 3gi9 h GLU 341 N 0.88 0.98 0.75 0.39 4.81 -1.98 -1.91 114.58 118.49 3gi9 h GLU 341 Ca 0.42 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3gi9 h GLU 341 Cb 0.44 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.69 3gi9 h GLU 341 CO -0.19 0.88 -0.36 0.78 -0.73 0.00 0.00 179.01 179.39 3gi9 h GLY 342 N 0.90 -1.05 0.15 1.92 0.00 -1.44 -0.84 103.07 102.71 3gi9 h GLY 342 Ca 0.20 0.39 0.08 0.00 0.00 0.00 0.00 47.33 48.00 3gi9 h GLY 342 CO -0.00 -0.38 -0.13 -2.08 0.00 0.00 0.00 176.54 173.95 3gi9 h VAL 343 N -1.09 0.54 -1.00 4.60 2.07 -1.20 -0.55 116.25 119.62 3gi9 h VAL 343 Ca -0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3gi9 h VAL 343 Cb 0.78 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3gi9 h VAL 343 CO 0.17 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.41 3gi9 h ALA 344 N 1.33 1.34 -0.47 1.67 0.00 -1.34 -0.42 119.26 121.36 3gi9 h ALA 344 Ca 0.19 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3gi9 h ALA 344 Cb 0.34 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gi9 h ALA 344 CO -0.43 0.56 -0.22 0.77 0.00 0.00 0.00 179.25 179.93 3gi9 h SER 345 N 1.27 0.99 -0.29 0.00 0.02 -0.04 -2.23 113.55 113.27 3gi9 h SER 345 Ca 0.39 -0.38 -0.18 0.00 -0.84 0.00 0.00 61.79 60.79 3gi9 h SER 345 Cb -0.01 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.25 3gi9 h SER 345 CO -0.12 1.16 -0.51 0.40 -1.14 0.00 0.00 176.83 176.62 3gi9 h ILE 346 N 0.83 1.28 0.03 3.27 2.04 -0.87 -2.56 117.51 121.53 3gi9 h ILE 346 Ca 0.11 -1.69 0.02 0.00 1.00 0.00 0.00 64.86 64.29 3gi9 h ILE 346 Cb 0.79 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3gi9 h ILE 346 CO 0.07 0.55 -0.13 0.74 0.00 0.00 0.00 178.15 179.38 3gi9 h THR 347 N 0.64 0.69 -0.74 -0.27 2.02 -1.01 -0.73 112.91 113.52 3gi9 h THR 347 Ca 0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3gi9 h THR 347 Cb 1.12 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 3gi9 h THR 347 CO 0.12 0.00 0.32 0.28 0.37 0.00 0.00 175.52 176.61 3gi9 h SER 348 N -0.23 0.98 -0.42 4.18 0.02 -1.45 -1.31 113.55 115.32 3gi9 h SER 348 Ca 0.04 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3gi9 h SER 348 Cb 0.27 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3gi9 h SER 348 CO -0.11 0.85 0.19 0.00 -1.14 0.00 0.00 176.83 176.62 3gi9 h ALA 349 N 1.29 0.55 -0.46 3.77 0.00 -1.19 -0.58 119.26 122.64 3gi9 h ALA 349 Ca 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3gi9 h ALA 349 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3gi9 h ALA 349 CO -0.03 0.13 0.08 0.28 0.00 0.00 0.00 179.25 179.71 3gi9 h VAL 350 N 0.54 1.25 -0.68 0.00 2.07 -0.91 -2.81 116.25 115.71 3gi9 h VAL 350 Ca 0.14 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3gi9 h VAL 350 Cb 0.16 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3gi9 h VAL 350 CO -0.01 0.32 0.24 -0.26 0.02 0.00 0.00 177.57 177.88 3gi9 h PHE 351 N 0.63 1.06 -0.71 1.57 0.05 -1.12 -2.73 116.94 115.69 3gi9 h PHE 351 Ca 0.14 -0.09 -0.05 0.00 3.82 0.00 0.00 57.97 61.79 3gi9 h PHE 351 Cb 0.38 -0.31 -0.03 0.00 2.00 0.00 0.00 35.95 37.99 3gi9 h PHE 351 CO 0.03 0.84 0.25 0.52 -0.18 0.00 0.00 178.31 179.76 3gi9 h MET 352 N 0.98 1.09 -0.57 1.51 2.86 -1.03 0.77 114.93 120.54 3gi9 h MET 352 Ca 0.22 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3gi9 h MET 352 Cb 0.25 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3gi9 h MET 352 CO -0.01 0.92 0.13 0.28 1.06 0.00 0.00 176.91 179.28 3gi9 h VAL 353 N 1.03 1.25 -0.10 -2.22 2.07 -1.47 0.36 116.25 117.18 3gi9 h VAL 353 Ca 0.23 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3gi9 h VAL 353 Cb 0.27 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3gi9 h VAL 353 CO -0.01 0.33 -0.07 0.40 0.02 0.00 0.00 177.57 178.24 3gi9 h ILE 354 N 0.82 0.79 -0.81 4.57 2.04 -1.18 -2.46 117.51 121.28 3gi9 h ILE 354 Ca 0.18 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 3gi9 h ILE 354 Cb 0.36 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3gi9 h ILE 354 CO 0.00 0.00 0.35 1.88 0.00 0.00 0.00 178.15 180.39 3gi9 h TYR 355 N -0.08 1.20 -0.73 1.37 0.05 -0.46 -2.30 116.97 116.01 3gi9 h TYR 355 Ca 0.06 -0.08 0.07 0.00 0.05 0.00 0.00 58.73 58.84 3gi9 h TYR 355 Cb 0.17 -0.37 -0.06 0.00 1.01 0.00 0.00 36.73 37.48 3gi9 h TYR 355 CO -0.19 0.89 0.41 -0.07 -1.05 0.00 0.00 178.16 178.15 3gi9 h LEU 356 N 1.16 0.59 -0.83 3.88 3.38 -0.11 -0.18 115.31 123.21 3gi9 h LEU 356 Ca 0.27 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 3gi9 h LEU 356 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3gi9 h LEU 356 CO -0.03 0.36 -0.29 -0.26 0.09 0.00 0.00 178.44 178.31 3gi9 h PHE 357 N 0.73 0.00 -0.14 1.13 0.04 -1.21 -1.87 116.94 115.62 3gi9 h PHE 357 Ca 0.34 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.96 3gi9 h PHE 357 Cb 0.26 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.42 3gi9 h PHE 357 CO -0.07 0.29 -0.49 0.28 -0.60 0.00 0.00 178.31 177.72 3gi9 h VAL 358 N 0.00 1.34 -0.62 -0.55 2.07 -0.75 -0.78 116.25 116.96 3gi9 h VAL 358 Ca -0.00 -1.77 -0.06 0.00 0.82 0.00 0.00 66.70 65.69 3gi9 h VAL 358 Cb 0.90 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 3gi9 h VAL 358 CO 0.04 0.54 0.14 0.40 0.02 0.00 0.00 177.57 178.71 3gi9 h ILE 359 N 0.22 1.25 -0.54 4.57 2.04 -1.02 -0.17 117.51 123.86 3gi9 h ILE 359 Ca -0.02 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3gi9 h ILE 359 Cb 1.12 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3gi9 h ILE 359 CO 0.10 0.34 0.25 0.25 0.00 0.00 0.00 178.15 179.09 3gi9 h LEU 360 N 0.93 0.72 -0.87 1.44 5.85 -1.33 -1.80 115.31 120.26 3gi9 h LEU 360 Ca 0.20 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3gi9 h LEU 360 Cb 0.34 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3gi9 h LEU 360 CO 0.00 0.66 0.50 0.28 -0.34 0.00 0.00 178.44 179.54 3gi9 h SER 361 N 0.73 1.07 -0.77 1.25 0.02 -0.70 -1.18 113.55 113.98 3gi9 h SER 361 Ca 0.18 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3gi9 h SER 361 Cb 0.14 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 3gi9 h SER 361 CO -0.02 0.84 0.37 -0.74 -1.14 0.00 0.00 176.83 176.14 3gi9 h HIS 362 N 1.20 1.11 -0.27 3.45 -0.00 -0.83 -1.47 115.15 118.35 3gi9 h HIS 362 Ca 0.31 -0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.58 3gi9 h HIS 362 Cb -0.00 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.05 3gi9 h HIS 362 CO 0.00 0.81 -0.04 -0.92 -0.00 0.00 0.00 177.93 177.79 3gi9 h TYR 363 N 1.11 0.55 -0.60 5.26 3.20 -0.85 -0.33 116.97 125.31 3gi9 h TYR 363 Ca 0.27 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 3gi9 h TYR 363 Cb 0.12 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3gi9 h TYR 363 CO 0.01 0.68 0.26 0.82 -1.64 0.00 0.00 178.16 178.30 3gi9 h ILE 364 N 0.26 1.20 -0.52 1.81 2.04 -1.05 -2.97 117.51 118.29 3gi9 h ILE 364 Ca 0.07 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3gi9 h ILE 364 Cb 0.49 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3gi9 h ILE 364 CO 0.02 0.25 0.00 0.18 0.00 0.00 0.00 178.15 178.60 3gi9 n LEU 365 N -4.34 4.42 0.23 1.44 4.77 -0.57 -4.65 117.00 118.31 3gi9 n LEU 365 Ca 0.05 -2.55 0.15 0.00 -0.03 0.00 0.00 56.01 53.62 3gi9 n LEU 365 Cb 0.15 -0.53 0.80 0.00 -2.33 0.00 0.00 43.42 41.51 3gi9 n LEU 365 CO 0.38 0.75 1.13 -0.29 -1.33 0.00 0.00 177.39 178.03 3gi9 h ILE 366 N 3.30 0.64 -0.07 -0.08 2.10 -0.88 0.29 117.51 122.80 3gi9 h ILE 366 Ca 0.00 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.79 3gi9 h ILE 366 Cb 1.40 0.92 -0.01 0.00 -1.09 0.00 0.00 36.82 38.04 3gi9 h ILE 366 CO 0.22 0.00 -0.62 0.44 -1.08 0.00 0.00 178.15 177.12 3gi9 h ASP 367 N 0.00 0.29 0.04 2.19 3.32 -1.85 -0.39 116.42 120.02 3gi9 h ASP 367 Ca 0.05 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3gi9 h ASP 367 Cb 0.26 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3gi9 h ASP 367 CO -0.00 0.83 -0.25 -0.08 -1.72 0.00 0.00 179.24 178.01 3gi9 h GLU 368 N 0.18 0.08 0.00 3.56 4.81 -1.37 -3.39 114.58 118.45 3gi9 h GLU 368 Ca -0.01 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3gi9 h GLU 368 Cb 1.13 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3gi9 h GLU 368 CO 0.10 1.06 -1.04 1.33 -0.73 0.00 0.00 179.01 179.73 3gi9 n VAL 369 N -4.48 0.29 -2.02 0.32 0.24 -0.31 -5.08 118.33 107.29 3gi9 n VAL 369 Ca -0.12 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3gi9 n VAL 369 Cb 0.58 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 3gi9 n VAL 369 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gi9 n GLY 370 N 1.31 -2.24 0.00 7.63 0.00 -0.16 -4.87 105.19 106.87 3gi9 n GLY 370 Ca 0.01 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3gi9 n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi9 n GLY 371 N -0.19 1.89 3.74 -0.02 0.00 -1.26 -4.77 105.19 104.59 3gi9 n GLY 371 Ca 0.00 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 3gi9 n GLY 371 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gi9 s ARG 372 N -2.57 4.36 0.34 1.61 1.81 -1.26 -4.97 118.95 118.27 3gi9 s ARG 372 Ca 0.00 0.75 0.04 0.00 -1.72 0.00 0.00 55.73 54.80 3gi9 s ARG 372 Cb 0.00 -3.38 0.61 0.00 -0.45 0.00 0.00 34.95 31.73 3gi9 s ARG 372 CO 0.00 0.26 1.88 0.87 -0.68 0.00 0.00 175.30 177.63 3gi9 h LYS 373 N 6.08 0.53 -0.54 3.54 1.57 -1.99 -2.84 116.57 122.92 3gi9 h LYS 373 Ca -0.43 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 3gi9 h LYS 373 Cb 1.20 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 3gi9 h LYS 373 CO 0.72 0.55 0.27 0.93 -0.57 0.00 0.00 179.45 181.35 3gi9 h GLU 374 N 0.51 0.77 -0.31 3.15 3.07 -1.99 -1.11 114.58 118.68 3gi9 h GLU 374 Ca 0.11 -0.11 -0.16 0.00 -0.50 0.00 0.00 59.36 58.70 3gi9 h GLU 374 Cb 0.31 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3gi9 h GLU 374 CO 0.01 0.62 -0.45 0.82 -1.40 0.00 0.00 179.01 178.61 3gi9 h ILE 375 N 0.73 1.28 0.05 3.13 2.04 -1.96 -1.66 117.51 121.12 3gi9 h ILE 375 Ca 0.19 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 3gi9 h ILE 375 Cb 0.09 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3gi9 h ILE 375 CO -0.03 0.53 -0.02 0.58 0.00 0.00 0.00 178.15 179.21 3gi9 h VAL 376 N 0.64 1.04 -0.67 1.67 2.07 -1.31 0.11 116.25 119.81 3gi9 h VAL 376 Ca 0.04 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3gi9 h VAL 376 Cb 1.03 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3gi9 h VAL 376 CO 0.10 0.07 0.43 0.40 0.02 0.00 0.00 177.57 178.60 3gi9 h ILE 377 N -0.19 1.13 -0.62 4.57 2.04 -1.23 -0.92 117.51 122.27 3gi9 h ILE 377 Ca -0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3gi9 h ILE 377 Cb 0.17 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 3gi9 h ILE 377 CO 0.01 0.16 0.41 0.15 0.00 0.00 0.00 178.15 178.88 3gi9 h PHE 378 N 0.86 0.79 -0.68 1.37 3.57 -1.11 -2.38 116.94 119.37 3gi9 h PHE 378 Ca 0.26 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 3gi9 h PHE 378 Cb -0.04 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 3gi9 h PHE 378 CO -0.04 0.50 0.11 0.77 -2.23 0.00 0.00 178.31 177.43 3gi9 h SER 379 N 0.85 1.08 -0.44 0.41 0.02 -0.32 -2.18 113.55 112.97 3gi9 h SER 379 Ca 0.23 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3gi9 h SER 379 Cb -0.09 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.15 3gi9 h SER 379 CO -0.05 1.06 0.28 0.15 -1.14 0.00 0.00 176.83 177.13 3gi9 h PHE 380 N 1.05 0.56 -0.25 3.45 3.57 -0.94 -1.97 116.94 122.40 3gi9 h PHE 380 Ca 0.21 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3gi9 h PHE 380 Cb 0.45 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3gi9 h PHE 380 CO 0.03 0.37 -0.02 0.82 -2.23 0.00 0.00 178.31 177.28 3gi9 h ILE 381 N 0.59 1.27 -0.05 1.41 2.04 -1.31 -1.43 117.51 120.02 3gi9 h ILE 381 Ca 0.16 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.08 3gi9 h ILE 381 Cb -0.04 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3gi9 h ILE 381 CO -0.03 0.30 -0.10 0.58 0.00 0.00 0.00 178.15 178.90 3gi9 h VAL 382 N 0.23 0.72 -0.76 1.67 2.07 -1.33 -0.20 116.25 118.64 3gi9 h VAL 382 Ca 0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 3gi9 h VAL 382 Cb 0.45 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3gi9 h VAL 382 CO 0.02 0.00 0.32 0.58 0.02 0.00 0.00 177.57 178.51 3gi9 h VAL 383 N -0.15 1.25 -0.66 2.57 2.07 -1.35 -1.54 116.25 118.44 3gi9 h VAL 383 Ca 0.06 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3gi9 h VAL 383 Cb 0.23 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3gi9 h VAL 383 CO -0.15 0.32 0.38 0.25 0.02 0.00 0.00 177.57 178.39 3gi9 h LEU 384 N 1.10 0.81 -0.42 2.57 5.85 -0.98 -1.36 115.31 122.88 3gi9 h LEU 384 Ca 0.26 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3gi9 h LEU 384 Cb 0.19 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3gi9 h LEU 384 CO -0.02 0.66 0.09 1.23 -0.34 0.00 0.00 178.44 180.05 3gi9 h GLY 385 N 0.90 0.73 1.09 3.75 0.00 -0.70 -1.56 103.07 107.27 3gi9 h GLY 385 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3gi9 h GLY 385 CO -0.04 0.43 0.59 -2.08 0.00 0.00 0.00 176.54 175.44 3gi9 h VAL 386 N 0.54 1.24 -0.29 4.60 2.07 -1.18 0.24 116.25 123.46 3gi9 h VAL 386 Ca 0.13 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3gi9 h VAL 386 Cb 0.33 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3gi9 h VAL 386 CO 0.00 0.24 0.10 0.15 0.02 0.00 0.00 177.57 178.08 3gi9 h PHE 387 N 1.25 0.47 -0.62 1.57 3.57 -1.01 -2.00 116.94 120.16 3gi9 h PHE 387 Ca 0.33 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 3gi9 h PHE 387 Cb -0.11 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3gi9 h PHE 387 CO 0.00 0.48 0.04 -0.07 -2.23 0.00 0.00 178.31 176.54 3gi9 h LEU 388 N 0.32 1.03 -0.93 0.59 3.38 -0.98 -1.85 115.31 116.88 3gi9 h LEU 388 Ca 0.10 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3gi9 h LEU 388 Cb 0.23 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3gi9 h LEU 388 CO -0.00 1.06 0.59 -0.07 0.09 0.00 0.00 178.44 180.11 3gi9 h LEU 389 N 0.96 0.95 -0.53 1.67 3.38 -0.88 0.22 115.31 121.08 3gi9 h LEU 389 Ca 0.18 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3gi9 h LEU 389 Cb 0.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3gi9 h LEU 389 CO 0.02 0.61 -0.04 0.25 0.09 0.00 0.00 178.44 179.38 3gi9 h LEU 390 N 1.09 0.95 -0.57 1.67 5.85 -1.10 -1.00 115.31 122.19 3gi9 h LEU 390 Ca 0.40 -0.32 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 3gi9 h LEU 390 Cb 0.14 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3gi9 h LEU 390 CO -0.16 1.04 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.50 3gi9 h LEU 391 N 0.83 0.73 -0.71 2.25 3.38 -0.84 -2.68 115.31 118.28 3gi9 h LEU 391 Ca 0.15 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 3gi9 h LEU 391 Cb 0.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3gi9 h LEU 391 CO 0.03 1.05 -0.24 0.22 0.09 0.00 0.00 178.44 179.59 3gi9 h TYR 392 N 0.56 0.83 -0.23 1.13 3.20 -0.50 -1.88 116.97 120.08 3gi9 h TYR 392 Ca 0.05 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 3gi9 h TYR 392 Cb 0.94 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 3gi9 h TYR 392 CO 0.05 0.90 0.11 -0.92 -1.64 0.00 0.00 178.16 176.65 3gi9 h TYR 393 N 0.64 0.34 -0.11 -3.82 3.20 -1.09 -3.03 116.97 113.09 3gi9 h TYR 393 Ca 0.09 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 3gi9 h TYR 393 Cb 0.74 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 3gi9 h TYR 393 CO 0.04 0.34 -0.46 1.96 -1.64 0.00 0.00 178.16 178.40 3gi9 h GLN 394 N 0.24 0.27 -0.54 1.82 1.08 -1.45 -0.33 115.11 116.20 3gi9 h GLN 394 Ca 0.08 -0.14 0.11 0.00 -1.45 0.00 0.00 58.65 57.24 3gi9 h GLN 394 Cb 0.14 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 3gi9 h GLN 394 CO -0.01 0.68 0.37 2.35 -0.95 0.00 0.00 178.83 181.27 3gi9 h TRP 395 N 0.22 0.30 0.00 2.96 2.91 -1.22 -2.33 115.95 118.79 3gi9 h TRP 395 Ca 0.01 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 59.91 3gi9 h TRP 395 Cb 0.90 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.43 3gi9 h TRP 395 CO 0.02 0.14 -1.71 0.44 -1.03 0.00 0.00 178.44 176.29 3gi9 n ILE 396 N -4.45 0.48 -0.08 2.65 -5.35 -1.11 -4.56 119.36 106.93 3gi9 n ILE 396 Ca 0.09 -0.41 -0.11 0.00 -0.27 0.00 0.00 62.75 62.04 3gi9 n ILE 396 Cb 0.41 -0.33 -0.05 0.00 -1.74 0.00 0.00 39.64 37.93 3gi9 n ILE 396 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3gi9 n THR 397 N -2.24 1.46 -3.52 7.28 -1.04 -0.15 -4.83 114.28 111.25 3gi9 n THR 397 Ca -0.12 0.11 -0.28 0.00 -2.04 0.00 0.00 64.05 61.72 3gi9 n THR 397 Cb 0.66 -2.27 -0.12 0.00 -1.82 0.00 0.00 70.33 66.79 3gi9 n THR 397 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3gi9 s ASN 398 N -6.15 2.76 0.59 8.00 3.84 -0.92 -4.99 114.94 118.07 3gi9 s ASN 398 Ca -0.21 -2.62 0.36 0.00 0.21 0.00 0.00 52.86 50.60 3gi9 s ASN 398 Cb 0.04 -0.61 1.82 0.00 -0.55 0.00 0.00 41.25 41.95 3gi9 s ASN 398 CO 0.35 -0.25 2.17 -0.09 -2.79 0.00 0.00 177.10 176.50 3gi9 h ARG 399 N 6.48 0.00 -0.61 0.43 2.43 -1.68 -1.32 114.38 120.10 3gi9 h ARG 399 Ca 0.11 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3gi9 h ARG 399 Cb 0.93 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 3gi9 h ARG 399 CO 0.36 0.04 0.22 0.35 -1.51 0.00 0.00 179.97 179.43 3gi9 h PHE 400 N 0.00 0.95 -0.34 2.20 3.57 -1.94 -2.07 116.94 119.32 3gi9 h PHE 400 Ca -0.00 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.31 3gi9 h PHE 400 Cb 0.24 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3gi9 h PHE 400 CO 0.00 0.77 -0.22 0.28 -2.23 0.00 0.00 178.31 176.91 3gi9 h VAL 401 N 0.86 1.27 -0.51 1.41 2.07 -1.57 -1.07 116.25 118.71 3gi9 h VAL 401 Ca 0.20 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3gi9 h VAL 401 Cb 0.24 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3gi9 h VAL 401 CO -0.01 0.42 0.30 0.15 0.02 0.00 0.00 177.57 178.45 3gi9 h PHE 402 N 0.57 0.55 -0.06 1.57 3.57 -1.17 0.91 116.94 122.88 3gi9 h PHE 402 Ca 0.08 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 3gi9 h PHE 402 Cb 0.69 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3gi9 h PHE 402 CO 0.03 0.31 -0.57 1.88 -2.23 0.00 0.00 178.31 177.73 3gi9 h TYR 403 N 0.59 0.23 -0.40 0.41 0.05 -1.29 -1.77 116.97 114.80 3gi9 h TYR 403 Ca 0.21 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 3gi9 h TYR 403 Cb 0.03 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 3gi9 h TYR 403 CO -0.07 0.71 0.16 0.78 -1.05 0.00 0.00 178.16 178.69 3gi9 h GLY 404 N 1.51 0.60 0.19 3.88 0.00 -0.43 -0.29 103.07 108.52 3gi9 h GLY 404 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3gi9 h GLY 404 CO 0.09 0.26 -0.00 -2.22 0.00 0.00 0.00 176.54 174.67 3gi9 h ILE 405 N 0.56 1.65 -0.76 2.60 2.04 -0.66 -3.20 117.51 119.74 3gi9 h ILE 405 Ca 0.14 -1.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.08 3gi9 h ILE 405 Cb 0.11 2.94 -0.04 0.00 -0.74 0.00 0.00 36.82 39.10 3gi9 h ILE 405 CO -0.01 0.49 0.43 0.40 0.00 0.00 0.00 178.15 179.46 3gi9 h ILE 406 N -0.81 1.22 -0.83 -0.67 1.08 -1.25 -2.60 117.51 113.66 3gi9 h ILE 406 Ca -0.00 -0.54 -0.02 0.00 -0.39 0.00 0.00 64.86 63.91 3gi9 h ILE 406 Cb 0.81 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 34.72 3gi9 h ILE 406 CO 0.00 0.24 0.44 0.00 -0.69 0.00 0.00 178.15 178.15 3gi9 h ALA 407 N 1.22 1.06 0.04 1.87 0.00 -1.19 -2.80 119.26 119.46 3gi9 h ALA 407 Ca 0.27 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3gi9 h ALA 407 Cb 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3gi9 h ALA 407 CO -0.05 0.58 -0.17 1.15 0.00 0.00 0.00 179.25 180.76 3gi9 h THR 408 N 1.15 0.59 -0.74 0.00 2.02 -1.45 0.88 112.91 115.36 3gi9 h THR 408 Ca 0.29 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.47 3gi9 h THR 408 Cb 0.05 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 3gi9 h THR 408 CO -0.04 0.00 0.45 -0.26 0.37 0.00 0.00 175.52 176.04 3gi9 h PHE 409 N -0.30 0.97 -0.04 3.16 0.04 -1.48 0.17 116.94 119.46 3gi9 h PHE 409 Ca 0.04 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 3gi9 h PHE 409 Cb 0.35 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3gi9 h PHE 409 CO -0.20 0.64 -0.22 0.82 -0.60 0.00 0.00 178.31 178.75 3gi9 h ILE 410 N 1.02 1.47 -0.98 -0.55 2.04 -1.20 -2.23 117.51 117.07 3gi9 h ILE 410 Ca 0.27 -1.72 0.08 0.00 1.00 0.00 0.00 64.86 64.49 3gi9 h ILE 410 Cb -0.05 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.44 3gi9 h ILE 410 CO -0.05 0.48 0.63 1.23 0.00 0.00 0.00 178.15 180.44 3gi9 h GLY 411 N -0.35 1.49 1.03 5.37 0.00 0.11 0.61 103.07 111.33 3gi9 h GLY 411 Ca -0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 3gi9 h GLY 411 CO 0.05 0.30 -0.17 -2.08 0.00 0.00 0.00 176.54 174.64 3gi9 h VAL 412 N 1.11 1.28 -0.56 4.60 2.07 -0.74 -1.27 116.25 122.73 3gi9 h VAL 412 Ca 0.43 -1.30 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 3gi9 h VAL 412 Cb 0.23 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3gi9 h VAL 412 CO -0.18 0.44 -0.08 0.25 0.02 0.00 0.00 177.57 178.01 3gi9 h LEU 413 N 0.68 1.05 -0.22 2.57 5.85 -0.66 -2.38 115.31 122.19 3gi9 h LEU 413 Ca 0.10 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 3gi9 h LEU 413 Cb 0.72 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3gi9 h LEU 413 CO 0.05 1.14 -0.04 0.40 -0.34 0.00 0.00 178.44 179.65 3gi9 h ILE 414 N 0.94 1.28 -0.77 4.05 1.08 0.22 -2.74 117.51 121.57 3gi9 h ILE 414 Ca 0.15 -1.02 0.02 0.00 -0.39 0.00 0.00 64.86 63.62 3gi9 h ILE 414 Cb 0.65 1.50 -0.04 0.00 -3.07 0.00 0.00 36.82 35.86 3gi9 h ILE 414 CO 0.05 0.31 0.51 0.15 -0.69 0.00 0.00 178.15 178.48 3gi9 h PHE 415 N 0.16 0.95 -0.66 1.37 3.57 -1.22 -1.84 116.94 119.26 3gi9 h PHE 415 Ca 0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3gi9 h PHE 415 Cb 0.49 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3gi9 h PHE 415 CO 0.05 0.58 0.23 1.49 -2.23 0.00 0.00 178.31 178.43 3gi9 h GLU 416 N 1.01 1.01 -0.52 1.11 4.57 -1.35 0.12 114.58 120.53 3gi9 h GLU 416 Ca 0.29 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3gi9 h GLU 416 Cb -0.07 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 3gi9 h GLU 416 CO -0.07 0.86 0.25 0.82 -1.18 0.00 0.00 179.01 179.70 3gi9 h ILE 417 N 0.94 1.19 -0.24 2.32 2.04 -1.12 -1.66 117.51 120.98 3gi9 h ILE 417 Ca 0.22 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 3gi9 h ILE 417 Cb 0.26 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3gi9 h ILE 417 CO -0.01 0.22 0.05 0.40 0.00 0.00 0.00 178.15 178.81 3gi9 h ILE 418 N 0.69 1.22 -0.48 -0.67 2.04 -1.10 -2.67 117.51 116.54 3gi9 h ILE 418 Ca 0.18 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 3gi9 h ILE 418 Cb 0.11 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3gi9 h ILE 418 CO -0.02 0.23 0.13 0.22 0.00 0.00 0.00 178.15 178.70 3gi9 h TYR 419 N 0.22 0.79 0.00 1.37 3.20 -0.68 -2.13 116.97 119.74 3gi9 h TYR 419 Ca 0.08 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3gi9 h TYR 419 Cb 0.29 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 3gi9 h TYR 419 CO 0.01 0.71 -0.12 -0.09 -1.64 0.00 0.00 178.16 177.03 3gi9 h ARG 420 N 0.64 0.00 -0.00 1.82 2.43 -1.34 -1.11 114.38 116.82 3gi9 h ARG 420 Ca 0.15 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3gi9 h ARG 420 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3gi9 h ARG 420 CO -0.00 0.12 -0.12 0.87 -1.51 0.00 0.00 179.97 179.33 3gi9 h LYS 421 N 0.00 0.08 0.48 0.20 1.57 -1.13 -2.78 116.57 115.00 3gi9 h LYS 421 Ca -0.00 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3gi9 h LYS 421 Cb 0.59 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3gi9 h LYS 421 CO 0.02 0.85 -0.23 0.28 -0.57 0.00 0.00 179.45 179.80 3gi9 h VAL 422 N -0.65 0.25 0.00 0.50 2.07 -1.28 -3.37 116.25 113.77 3gi9 h VAL 422 Ca -0.01 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 3gi9 h VAL 422 Cb 0.89 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3gi9 h VAL 422 CO 0.02 0.05 -1.24 0.71 0.02 0.00 0.00 177.57 177.13 3gi9 h THR 423 N -1.07 0.36 -0.24 2.57 1.35 -1.40 -3.48 112.91 111.00 3gi9 h THR 423 Ca -0.07 -1.70 -0.10 0.00 -0.55 0.00 0.00 66.41 64.00 3gi9 h THR 423 Cb 0.57 1.89 -0.04 0.00 -1.73 0.00 0.00 68.15 68.84 3gi9 h THR 423 CO 0.11 0.20 -0.09 0.29 -0.25 0.00 0.00 175.52 175.78 3gi9 n LYS 424 N -2.84 -1.08 -1.61 4.72 4.76 -1.05 -4.95 118.16 116.12 3gi9 n LYS 424 Ca -0.06 0.55 -0.50 0.00 -2.87 0.00 0.00 58.31 55.43 3gi9 n LYS 424 Cb 0.75 -4.51 -0.05 0.00 -1.84 0.00 0.00 35.03 29.38 3gi9 n LYS 424 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3gi9 n ARG 425 N -1.39 1.38 -4.43 1.97 0.63 -1.26 -5.00 116.66 108.56 3gi9 n ARG 425 Ca -0.05 0.50 -0.27 0.00 -0.92 0.00 0.00 57.85 57.11 3gi9 n ARG 425 Cb 0.35 -2.12 -0.12 0.00 0.45 0.00 0.00 32.46 31.02 3gi9 n ARG 425 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3gi9 s THR 426 N 0.31 2.37 -0.23 5.15 -1.32 -1.26 -4.88 115.64 115.78 3gi9 s THR 426 Ca 0.79 -2.05 -0.09 0.00 -1.21 0.00 0.00 61.69 59.13 3gi9 s THR 426 Cb -0.86 -2.14 -0.04 0.00 -1.51 0.00 0.00 72.50 67.95 3gi9 s THR 426 CO 0.47 -0.13 0.11 -0.36 -2.21 0.00 0.00 174.62 172.50 3gi9 s PHE 427 N -1.72 3.23 0.29 9.09 0.08 -1.26 -4.35 117.98 123.34 3gi9 s PHE 427 Ca 0.21 0.02 0.09 0.00 0.12 0.00 0.00 56.93 57.37 3gi9 s PHE 427 Cb -0.08 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3gi9 s PHE 427 CO 0.10 -0.02 0.05 -1.54 -0.10 0.00 0.00 175.22 173.71 3gi9 s SER 428 N 1.01 4.62 0.00 1.36 1.04 -1.25 -4.64 113.70 115.84 3gi9 s SER 428 Ca 0.06 -0.68 0.11 0.00 0.48 0.00 0.00 55.95 55.92 3gi9 s SER 428 Cb -0.14 -0.83 0.56 0.00 0.10 0.00 0.00 66.02 65.72 3gi9 s SER 428 CO 0.04 -0.10 1.25 -0.46 0.98 0.00 0.00 173.24 174.95 3gi9 n ASN 429 N -0.99 0.00 0.30 7.02 0.23 -1.26 -2.57 115.26 117.99 3gi9 n ASN 429 Ca -0.05 0.14 0.15 0.00 -0.53 0.00 0.00 54.58 54.29 3gi9 n ASN 429 Cb 0.60 -0.29 0.78 0.00 -2.08 0.00 0.00 39.78 38.78 3gi9 n ASN 429 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 3gi9 h ASN 430 N 0.00 0.00 -0.92 0.53 4.21 -1.95 0.29 115.58 117.74 3gi9 h ASN 430 Ca 0.00 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.57 3gi9 h ASN 430 Cb 0.11 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.25 3gi9 h ASN 430 CO 0.00 0.00 0.60 0.24 -1.29 0.00 0.00 177.43 176.98 3gi9 h MET 431 N 0.00 1.04 0.00 0.81 2.86 -1.83 -3.35 114.93 114.46 3gi9 h MET 431 Ca 0.03 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3gi9 h MET 431 Cb 0.78 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3gi9 h MET 431 CO -0.00 0.69 -0.20 2.48 1.06 0.00 0.00 176.91 180.94 3gi9 n TYR 432 N -4.48 0.00 -2.92 -0.22 0.18 0.05 -4.50 117.16 105.27 3gi9 n TYR 432 Ca 0.14 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.51 3gi9 n TYR 432 Cb 0.18 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.09 3gi9 n TYR 432 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3gi9 s VAL 433 N -0.91 4.91 0.39 -3.48 1.01 0.82 -4.72 120.40 118.42 3gi9 s VAL 433 Ca 0.00 1.70 -0.26 0.00 0.00 0.00 0.00 61.98 63.41 3gi9 s VAL 433 Cb 0.00 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.12 3gi9 s VAL 433 CO 0.00 0.25 1.29 0.29 0.00 0.00 0.00 175.10 176.92 3gi9 n LYS 434 N 3.59 2.04 0.00 2.72 4.76 -1.26 -4.75 118.16 125.26 3gi9 n LYS 434 Ca 0.01 0.72 0.03 0.00 -2.87 0.00 0.00 58.31 56.20 3gi9 n LYS 434 Cb 0.51 -2.38 0.17 0.00 -1.84 0.00 0.00 35.03 31.49 3gi9 n LYS 434 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3gi9 n SER 435 N 0.42 0.00 0.00 4.39 7.64 -1.26 -4.88 113.62 119.93 3gi9 n SER 435 Ca 0.06 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.45 3gi9 n SER 435 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3gi9 n SER 435 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3gi9 n LEU 436 N -0.61 0.00 0.04 -3.43 7.94 -1.26 -4.26 117.00 115.43 3gi9 n LEU 436 Ca 0.04 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.89 3gi9 n LEU 436 Cb 0.02 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.11 3gi9 n LEU 436 CO 0.03 0.00 0.57 -0.08 -1.11 0.00 0.00 177.39 176.81 3gi9 h GLU 437 N 0.00 0.39 -0.02 1.96 4.81 -2.03 -3.58 114.58 116.12 3gi9 h GLU 437 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3gi9 h GLU 437 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3gi9 h GLU 437 CO 0.00 0.78 0.00 0.43 -0.73 0.00 0.00 179.01 179.49