#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1f s LEU 15 N 0.00 4.40 -0.20 6.15 2.96 -1.26 -1.22 118.68 129.52 3g1f s LEU 15 Ca 0.00 -1.90 -0.16 0.00 -0.22 0.00 0.00 54.13 51.85 3g1f s LEU 15 Cb 0.00 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3g1f s LEU 15 CO 0.00 -0.33 0.38 -0.63 -1.32 0.00 0.00 176.35 174.45 3g1f s ILE 16 N 0.99 5.21 -0.25 6.68 1.01 0.05 -4.44 121.20 130.45 3g1f s ILE 16 Ca 0.05 0.68 -0.25 0.00 0.00 0.00 0.00 60.65 61.12 3g1f s ILE 16 Cb -0.20 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 3g1f s ILE 16 CO -0.07 0.27 0.85 -0.22 0.00 0.00 0.00 174.94 175.78 3g1f s LEU 17 N 1.21 4.08 -0.79 2.97 2.96 -0.93 -1.81 118.68 126.36 3g1f s LEU 17 Ca 0.19 1.03 -0.22 0.00 -0.22 0.00 0.00 54.13 54.91 3g1f s LEU 17 Cb -0.15 -3.22 0.09 0.00 0.50 0.00 0.00 46.19 43.41 3g1f s LEU 17 CO 0.08 -0.55 1.08 0.00 -1.32 0.00 0.00 176.35 175.64 3g1f s ALA 18 N 2.92 3.14 -1.06 5.97 0.00 0.96 -1.23 121.76 132.45 3g1f s ALA 18 Ca 0.36 -2.18 -0.18 0.00 0.00 0.00 0.00 51.96 49.96 3g1f s ALA 18 Cb -0.15 -4.01 0.13 0.00 0.00 0.00 0.00 23.12 19.08 3g1f s ALA 18 CO 0.08 -2.96 1.32 1.41 0.00 0.00 0.00 175.76 175.61 3g1f s MET 19 N 3.77 3.78 -0.44 0.00 1.75 -0.61 -4.49 119.30 123.05 3g1f s MET 19 Ca 0.29 -1.94 0.04 0.00 -1.25 0.00 0.00 55.69 52.83 3g1f s MET 19 Cb -0.11 -5.08 0.53 0.00 2.84 0.00 0.00 34.83 33.02 3g1f s MET 19 CO 0.02 -1.88 1.72 -0.25 -0.65 0.00 0.00 175.02 173.98 3g1f n ASP 20 N 6.77 4.63 -4.83 1.11 8.00 -1.26 -4.55 116.55 126.42 3g1f n ASP 20 Ca 0.31 -3.74 -0.35 0.00 0.71 0.00 0.00 54.79 51.73 3g1f n ASP 20 Cb 0.47 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.76 3g1f n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g1f s LEU 21 N -3.48 4.22 0.15 0.64 1.43 -1.26 -4.99 118.68 115.40 3g1f s LEU 21 Ca 0.55 1.41 -0.05 0.00 -1.03 0.00 0.00 54.13 55.01 3g1f s LEU 21 Cb 0.46 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 3g1f s LEU 21 CO 0.03 -0.08 1.39 0.24 0.23 0.00 0.00 176.35 178.16 3g1f h MET 22 N 2.89 0.52 -6.34 1.70 2.86 -1.98 -3.45 114.93 111.14 3g1f h MET 22 Ca -0.48 -0.43 -0.55 0.00 -2.06 0.00 0.00 59.70 56.18 3g1f h MET 22 Cb 1.19 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 3g1f h MET 22 CO 0.65 1.06 0.57 -0.80 1.06 0.00 0.00 176.91 179.45 3g1f s ASN 23 N -7.02 7.18 0.20 1.22 -0.87 -1.26 -4.90 114.94 109.49 3g1f s ASN 23 Ca -0.07 1.72 -0.07 0.00 -1.57 0.00 0.00 52.86 52.87 3g1f s ASN 23 Cb 0.10 -2.56 0.13 0.00 -0.02 0.00 0.00 41.25 38.90 3g1f s ASN 23 CO 0.86 -0.46 1.66 -0.09 -2.57 0.00 0.00 177.10 176.51 3g1f h ARG 24 N 7.11 1.00 -0.39 -0.60 2.43 -1.98 0.56 114.38 122.52 3g1f h ARG 24 Ca -0.36 -0.32 -0.08 0.00 -0.81 0.00 0.00 59.98 58.42 3g1f h ARG 24 Cb 1.18 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3g1f h ARG 24 CO 0.84 0.99 -0.08 -0.44 -1.51 0.00 0.00 179.97 179.77 3g1f h ASP 25 N 0.91 0.75 0.09 -3.80 3.32 -1.99 -1.60 116.42 114.11 3g1f h ASP 25 Ca 0.16 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3g1f h ASP 25 Cb 0.56 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3g1f h ASP 25 CO 0.03 0.93 -0.04 0.44 -1.72 0.00 0.00 179.24 178.87 3g1f h ASP 26 N 0.56 -0.11 -0.85 6.45 3.32 -1.95 -1.07 116.42 122.78 3g1f h ASP 26 Ca 0.10 -0.47 0.20 0.00 0.02 0.00 0.00 57.03 56.88 3g1f h ASP 26 Cb 0.59 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 3g1f h ASP 26 CO 0.04 0.48 0.58 0.00 -1.72 0.00 0.00 179.24 178.61 3g1f h ALA 27 N -0.01 2.33 0.07 3.45 0.00 -0.95 1.56 119.26 125.72 3g1f h ALA 27 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g1f h ALA 27 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3g1f h ALA 27 CO 0.02 -0.59 -0.04 -0.07 0.00 0.00 0.00 179.25 178.57 3g1f h LEU 28 N 0.30 -0.08 -0.78 0.00 3.38 -1.30 -2.90 115.31 113.92 3g1f h LEU 28 Ca 0.43 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3g1f h LEU 28 Cb 1.21 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 3g1f h LEU 28 CO -0.13 0.59 0.43 -0.09 0.09 0.00 0.00 178.44 179.34 3g1f h ARG 29 N -0.94 0.71 -0.41 1.13 2.43 0.21 -1.85 114.38 115.67 3g1f h ARG 29 Ca -0.01 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3g1f h ARG 29 Cb 0.54 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3g1f h ARG 29 CO 0.02 0.47 0.07 0.28 -1.51 0.00 0.00 179.97 179.30 3g1f h VAL 30 N 0.74 1.24 -0.79 0.20 2.07 0.21 -2.32 116.25 117.59 3g1f h VAL 30 Ca 0.37 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3g1f h VAL 30 Cb 0.34 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3g1f h VAL 30 CO -0.24 0.30 0.39 0.74 0.02 0.00 0.00 177.57 178.77 3g1f h THR 31 N 0.52 1.25 0.03 2.57 2.02 -1.26 -2.58 112.91 115.46 3g1f h THR 31 Ca 0.12 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.64 3g1f h THR 31 Cb 0.36 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3g1f h THR 31 CO 0.01 0.29 -0.05 1.23 0.37 0.00 0.00 175.52 177.36 3g1f h GLY 32 N 1.10 -0.09 1.06 2.16 0.00 -1.22 -1.13 103.07 104.95 3g1f h GLY 32 Ca 0.27 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3g1f h GLY 32 CO -0.04 -0.06 0.30 1.18 0.00 0.00 0.00 176.54 177.92 3g1f n GLU 33 N -5.16 0.04 -0.29 4.80 1.02 -0.89 -1.03 120.64 119.14 3g1f n GLU 33 Ca -0.07 0.43 0.02 0.00 -0.02 0.00 0.00 57.16 57.51 3g1f n GLU 33 Cb 0.09 -1.94 0.02 0.00 -0.02 0.00 0.00 31.44 29.59 3g1f n GLU 33 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3g1f n VAL 34 N -1.68 0.39 0.64 2.62 3.14 -0.64 -3.96 118.33 118.85 3g1f n VAL 34 Ca -0.00 -0.45 0.03 0.00 -2.96 0.00 0.00 64.34 60.95 3g1f n VAL 34 Cb 0.31 0.48 0.17 0.00 -1.06 0.00 0.00 33.84 33.74 3g1f n VAL 34 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3g1f n ARG 35 N -0.28 0.32 -0.31 1.45 3.00 -0.20 -1.25 116.66 119.39 3g1f n ARG 35 Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.97 3g1f n ARG 35 Cb 0.62 -1.29 0.26 0.00 0.00 0.00 0.00 32.46 32.05 3g1f n ARG 35 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3g1f n GLU 36 N -0.79 2.86 0.00 -0.14 0.28 -1.26 -4.55 120.64 117.04 3g1f n GLU 36 Ca 0.04 -2.44 0.00 0.00 -0.16 0.00 0.00 57.16 54.61 3g1f n GLU 36 Cb 0.02 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.42 3g1f n GLU 36 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3g1f n TYR 37 N 1.12 0.00 -4.03 -1.84 4.02 -0.38 -5.08 117.16 110.97 3g1f n TYR 37 Ca 0.19 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.72 3g1f n TYR 37 Cb 0.57 0.10 -0.07 0.00 -0.02 0.00 0.00 39.34 39.92 3g1f n TYR 37 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3g1f s ILE 38 N -1.49 5.14 -0.00 -0.72 -5.25 -1.03 -4.83 121.20 113.03 3g1f s ILE 38 Ca 0.00 0.07 0.01 0.00 -0.99 0.00 0.00 60.65 59.74 3g1f s ILE 38 Cb 0.00 -3.22 -0.02 0.00 2.95 0.00 0.00 42.46 42.17 3g1f s ILE 38 CO 0.00 0.62 0.03 -0.90 -1.79 0.00 0.00 174.94 172.90 3g1f n ASP 39 N 2.03 4.68 -4.28 4.36 5.68 -1.26 -4.62 116.55 123.14 3g1f n ASP 39 Ca -0.20 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.77 3g1f n ASP 39 Cb 0.55 1.05 -0.16 0.00 -1.14 0.00 0.00 41.12 41.42 3g1f n ASP 39 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3g1f s THR 40 N -2.10 2.54 -0.09 2.12 2.01 -1.26 -1.13 115.64 117.74 3g1f s THR 40 Ca -0.01 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.19 3g1f s THR 40 Cb 0.01 -2.04 0.01 0.00 0.01 0.00 0.00 72.50 70.49 3g1f s THR 40 CO 0.06 0.53 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.64 3g1f s VAL 41 N 0.53 1.68 -0.19 3.82 1.01 0.12 -2.20 120.40 125.17 3g1f s VAL 41 Ca -0.11 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 3g1f s VAL 41 Cb -0.16 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3g1f s VAL 41 CO 0.04 0.48 0.24 -0.75 0.00 0.00 0.00 175.10 175.11 3g1f s LYS 42 N 0.54 4.21 -0.03 2.72 2.20 -0.37 0.12 119.74 129.12 3g1f s LYS 42 Ca -0.16 -0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.45 3g1f s LYS 42 Cb -0.17 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 3g1f s LYS 42 CO 0.06 0.19 -0.10 0.42 -0.36 0.00 0.00 175.35 175.56 3g1f s ILE 43 N 0.63 0.89 0.41 5.43 1.01 0.39 -1.58 121.20 128.38 3g1f s ILE 43 Ca 0.13 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.43 3g1f s ILE 43 Cb -0.13 -0.79 0.06 0.00 0.01 0.00 0.00 42.46 41.61 3g1f s ILE 43 CO 0.03 0.28 0.53 0.61 0.00 0.00 0.00 174.94 176.38 3g1f n GLY 44 N 3.30 2.09 0.22 6.18 0.00 -1.26 -0.52 105.19 115.19 3g1f n GLY 44 Ca -0.18 -2.21 0.02 0.00 0.00 0.00 0.00 46.02 43.65 3g1f n GLY 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g1f h TYR 45 N 0.15 0.18 -0.15 1.61 0.99 -1.97 -2.81 116.97 114.97 3g1f h TYR 45 Ca -0.20 -0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.54 3g1f h TYR 45 Cb 0.88 -0.05 -0.04 0.00 1.00 0.00 0.00 36.73 38.53 3g1f h TYR 45 CO 0.00 0.40 -0.09 -1.35 -0.00 0.00 0.00 178.16 177.12 3g1f h PRO 46 N 0.15 -0.08 0.29 4.88 0.11 -1.96 0.44 132.00 135.83 3g1f h PRO 46 Ca 0.03 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3g1f h PRO 46 Cb 0.51 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3g1f h PRO 46 CO 0.04 -0.05 -0.14 1.25 -0.21 0.00 0.00 178.00 178.89 3g1f h LEU 47 N -0.08 -0.33 -1.11 2.35 5.85 -1.84 -1.85 115.31 118.30 3g1f h LEU 47 Ca 0.09 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3g1f h LEU 47 Cb 0.21 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3g1f h LEU 47 CO -0.20 -0.09 0.37 0.58 -0.34 0.00 0.00 178.44 178.76 3g1f h VAL 48 N -0.56 1.22 -0.13 1.05 2.07 -1.35 0.61 116.25 119.16 3g1f h VAL 48 Ca -0.04 -0.57 -0.19 0.00 0.82 0.00 0.00 66.70 66.72 3g1f h VAL 48 Cb 0.41 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3g1f h VAL 48 CO 0.06 0.25 -0.70 -0.07 0.02 0.00 0.00 177.57 177.14 3g1f h LEU 49 N 1.00 0.67 -0.02 2.57 3.38 -0.10 0.20 115.31 123.02 3g1f h LEU 49 Ca 0.25 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3g1f h LEU 49 Cb 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3g1f h LEU 49 CO -0.04 1.17 -0.17 0.28 0.09 0.00 0.00 178.44 179.78 3g1f h SER 50 N 0.40 0.18 0.56 -0.43 0.02 -1.12 -3.38 113.55 109.78 3g1f h SER 50 Ca -0.03 -0.71 -0.04 0.00 -0.84 0.00 0.00 61.79 60.17 3g1f h SER 50 Cb 1.28 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 3g1f h SER 50 CO 0.13 0.86 -1.48 -0.62 -1.14 0.00 0.00 176.83 174.58 3g1f n GLU 51 N -4.59 0.63 0.00 3.45 -0.58 0.19 -5.10 120.64 114.64 3g1f n GLU 51 Ca -0.09 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3g1f n GLU 51 Cb 0.44 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3g1f n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1f n GLY 52 N 1.27 2.79 0.27 0.62 0.00 0.72 -4.74 105.19 106.11 3g1f n GLY 52 Ca -0.05 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.34 3g1f n GLY 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g1f h MET 53 N 0.00 0.00 0.00 1.61 2.86 -1.93 -1.74 114.93 115.73 3g1f h MET 53 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g1f h MET 53 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3g1f h MET 53 CO 0.00 0.10 0.01 -0.25 1.06 0.00 0.00 176.91 177.83 3g1f n ASP 54 N -3.69 0.44 0.27 1.22 8.00 -1.26 -1.33 116.55 120.20 3g1f n ASP 54 Ca -0.02 0.70 0.16 0.00 0.71 0.00 0.00 54.79 56.34 3g1f n ASP 54 Cb 0.21 -0.76 0.76 0.00 -0.02 0.00 0.00 41.12 41.31 3g1f n ASP 54 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3g1f h ILE 55 N 0.00 0.28 -0.13 0.53 6.09 -1.60 -2.82 117.51 119.86 3g1f h ILE 55 Ca 0.00 -0.53 -0.09 0.00 -1.37 0.00 0.00 64.86 62.87 3g1f h ILE 55 Cb 0.02 1.41 0.00 0.00 0.47 0.00 0.00 36.82 38.72 3g1f h ILE 55 CO 0.00 0.08 -0.28 0.40 -3.07 0.00 0.00 178.15 175.27 3g1f h ILE 56 N 0.00 1.37 -0.42 2.19 2.04 -1.44 -2.26 117.51 118.99 3g1f h ILE 56 Ca -0.00 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.22 3g1f h ILE 56 Cb 0.40 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3g1f h ILE 56 CO 0.01 0.46 -0.05 0.00 0.00 0.00 0.00 178.15 178.57 3g1f h ALA 57 N 0.53 1.13 -0.80 1.87 0.00 -1.63 -2.55 119.26 117.82 3g1f h ALA 57 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3g1f h ALA 57 Cb 0.88 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3g1f h ALA 57 CO 0.06 0.55 0.32 1.49 0.00 0.00 0.00 179.25 181.67 3g1f h GLU 58 N 0.66 1.19 0.07 0.00 4.81 -1.46 0.18 114.58 120.03 3g1f h GLU 58 Ca 0.12 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3g1f h GLU 58 Cb 0.48 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3g1f h GLU 58 CO 0.02 0.96 -0.03 0.74 -0.73 0.00 0.00 179.01 179.97 3g1f h PHE 59 N 1.16 -0.09 -0.58 0.92 -1.00 -1.16 -0.14 116.94 116.06 3g1f h PHE 59 Ca 0.27 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.14 3g1f h PHE 59 Cb 0.21 0.03 -0.07 0.00 3.61 0.00 0.00 35.95 39.73 3g1f h PHE 59 CO 0.02 0.08 0.18 0.00 -1.61 0.00 0.00 178.31 176.98 3g1f h ARG 60 N -0.24 0.33 -0.21 1.51 3.08 -1.00 -0.41 114.38 117.45 3g1f h ARG 60 Ca -0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3g1f h ARG 60 Cb 0.20 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3g1f h ARG 60 CO 0.02 0.22 0.01 0.87 -1.07 0.00 0.00 179.97 180.02 3g1f h LYS 61 N 0.34 0.36 -0.46 0.04 1.57 -0.53 0.64 116.57 118.54 3g1f h LYS 61 Ca 0.29 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3g1f h LYS 61 Cb 0.38 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3g1f h LYS 61 CO -0.32 0.53 0.04 0.00 -0.57 0.00 0.00 179.45 179.14 3g1f h ARG 62 N 0.14 0.78 0.00 3.15 3.08 -0.41 -3.36 114.38 117.75 3g1f h ARG 62 Ca 0.06 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3g1f h ARG 62 Cb 0.36 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3g1f h ARG 62 CO 0.01 0.81 0.00 1.19 -1.07 0.00 0.00 179.97 180.91 3g1f n PHE 63 N -4.42 0.00 -3.50 3.04 3.01 -0.22 -5.04 117.46 110.33 3g1f n PHE 63 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 3g1f n PHE 63 Cb 0.27 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.80 3g1f n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g1f n GLY 64 N 0.50 -0.96 3.52 1.37 0.00 0.22 -5.02 105.19 104.82 3g1f n GLY 64 Ca 0.00 0.46 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 3g1f n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f s ARG 66 N -3.68 4.34 -0.24 0.00 0.52 -0.28 -4.60 118.95 115.00 3g1f s ARG 66 Ca 0.33 0.79 -0.08 0.00 -0.52 0.00 0.00 55.73 56.25 3g1f s ARG 66 Cb 0.05 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 3g1f s ARG 66 CO 0.16 0.38 0.09 0.42 0.02 0.00 0.00 175.30 176.36 3g1f s ILE 67 N -0.25 4.57 -0.36 1.52 1.09 -1.26 0.15 121.20 126.65 3g1f s ILE 67 Ca 0.32 -0.09 -0.17 0.00 -1.10 0.00 0.00 60.65 59.62 3g1f s ILE 67 Cb -0.19 -3.13 -0.00 0.00 -1.06 0.00 0.00 42.46 38.08 3g1f s ILE 67 CO 0.18 0.35 0.43 -0.63 -0.10 0.00 0.00 174.94 175.17 3g1f s ILE 68 N 1.41 5.10 -0.54 2.92 1.01 0.32 -1.22 121.20 130.20 3g1f s ILE 68 Ca 0.06 0.06 -0.27 0.00 0.00 0.00 0.00 60.65 60.50 3g1f s ILE 68 Cb -0.15 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.44 3g1f s ILE 68 CO 0.05 -0.21 1.06 0.00 0.00 0.00 0.00 174.94 175.84 3g1f s ALA 69 N 2.18 3.11 -1.32 9.38 0.00 -0.33 -0.46 121.76 134.31 3g1f s ALA 69 Ca 0.14 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 3g1f s ALA 69 Cb -0.16 -3.86 0.11 0.00 0.00 0.00 0.00 23.12 19.21 3g1f s ALA 69 CO 0.13 -2.43 1.86 -3.47 0.00 0.00 0.00 175.76 171.85 3g1f n ASP 70 N 7.85 4.74 -0.50 0.00 -0.08 0.32 -1.13 116.55 127.74 3g1f n ASP 70 Ca 0.06 -2.97 0.11 0.00 -1.51 0.00 0.00 54.79 50.49 3g1f n ASP 70 Cb 0.48 -1.60 0.07 0.00 2.34 0.00 0.00 41.12 42.41 3g1f n ASP 70 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3g1f n PHE 71 N 5.78 0.00 -4.21 -0.67 0.99 -1.26 -4.23 117.46 113.87 3g1f n PHE 71 Ca 0.45 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.60 3g1f n PHE 71 Cb 0.40 -0.02 -0.07 0.00 -1.00 0.00 0.00 39.48 38.79 3g1f n PHE 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3g1f n LYS 72 N 0.00 -1.73 -1.66 -1.08 5.02 -0.39 -4.73 118.16 113.59 3g1f n LYS 72 Ca 0.10 0.20 -0.56 0.00 -2.02 0.00 0.00 58.31 56.03 3g1f n LYS 72 Cb 0.46 -3.95 -0.07 0.00 -0.02 0.00 0.00 35.03 31.45 3g1f n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g1f n VAL 73 N -4.51 0.16 -2.76 -0.18 0.31 -1.00 -4.36 118.33 105.99 3g1f n VAL 73 Ca -0.30 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 63.90 3g1f n VAL 73 Cb 0.68 -0.97 0.04 0.00 -0.91 0.00 0.00 33.84 32.69 3g1f n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g1f n ALA 74 N 4.05 2.40 -3.79 3.52 0.00 -1.26 -1.08 120.51 124.35 3g1f n ALA 74 Ca 0.23 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 51.03 3g1f n ALA 74 Cb 0.14 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3g1f n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g1f n ASP 75 N -0.09 1.71 -4.81 0.00 -0.08 -1.26 -4.97 116.55 107.04 3g1f n ASP 75 Ca 0.09 -0.93 -0.30 0.00 -1.51 0.00 0.00 54.79 52.13 3g1f n ASP 75 Cb 0.79 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.32 3g1f n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3g1f s ILE 76 N -1.02 3.55 0.19 5.18 -4.36 -1.26 -4.72 121.20 118.77 3g1f s ILE 76 Ca 0.00 0.50 -0.17 0.00 -0.26 0.00 0.00 60.65 60.72 3g1f s ILE 76 Cb 0.00 -3.24 0.16 0.00 1.25 0.00 0.00 42.46 40.63 3g1f s ILE 76 CO 0.00 -0.66 1.61 -0.65 0.24 0.00 0.00 174.94 175.49 3g1f h PRO 77 N -0.91 -0.09 -0.44 0.37 0.11 -1.86 -0.56 132.00 128.62 3g1f h PRO 77 Ca -0.45 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.74 3g1f h PRO 77 Cb 1.24 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 3g1f h PRO 77 CO 0.58 -0.06 0.04 0.93 -0.21 0.00 0.00 178.00 179.27 3g1f h GLU 78 N -0.10 0.15 -0.22 1.05 3.07 -1.94 -1.47 114.58 115.12 3g1f h GLU 78 Ca 0.25 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.91 3g1f h GLU 78 Cb 0.49 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3g1f h GLU 78 CO -0.61 0.10 -0.61 1.15 -1.40 0.00 0.00 179.01 177.64 3g1f h THR 79 N 0.15 1.29 -0.68 1.13 2.02 -1.82 -2.90 112.91 112.10 3g1f h THR 79 Ca 0.22 -1.83 0.06 0.00 0.77 0.00 0.00 66.41 65.63 3g1f h THR 79 Cb 0.30 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3g1f h THR 79 CO -0.33 0.58 0.45 0.78 0.37 0.00 0.00 175.52 177.37 3g1f h ASN 80 N 0.55 0.60 0.16 4.18 4.21 -0.73 0.13 115.58 124.68 3g1f h ASN 80 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 3g1f h ASN 80 Cb 1.20 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.28 3g1f h ASN 80 CO 0.13 0.39 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.50 3g1f h GLU 81 N 0.69 -0.21 -0.84 0.81 4.22 -1.16 0.21 114.58 118.29 3g1f h GLU 81 Ca 0.29 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.74 3g1f h GLU 81 Cb 0.27 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3g1f h GLU 81 CO -0.09 0.02 0.49 0.87 -2.18 0.00 0.00 179.01 178.12 3g1f h LYS 82 N -0.42 1.15 -0.35 1.92 1.57 -1.12 0.24 116.57 119.56 3g1f h LYS 82 Ca -0.02 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 3g1f h LYS 82 Cb 0.33 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3g1f h LYS 82 CO 0.04 0.81 -0.27 0.82 -0.57 0.00 0.00 179.45 180.28 3g1f h ILE 83 N 1.17 1.29 -0.52 1.86 2.04 -0.60 -1.83 117.51 120.90 3g1f h ILE 83 Ca 0.30 -1.43 -0.12 0.00 1.00 0.00 0.00 64.86 64.62 3g1f h ILE 83 Cb -0.03 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3g1f h ILE 83 CO -0.05 0.47 -0.13 0.00 0.00 0.00 0.00 178.15 178.43 3g1f h ARG 85 N 0.88 0.61 -0.73 0.00 2.43 -0.42 -1.69 114.38 115.47 3g1f h ARG 85 Ca 0.13 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3g1f h ARG 85 Cb 0.70 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3g1f h ARG 85 CO 0.05 0.40 0.20 0.00 -1.51 0.00 0.00 179.97 179.12 3g1f h ALA 86 N 1.18 0.96 -0.51 2.80 0.00 -1.24 0.19 119.26 122.64 3g1f h ALA 86 Ca 0.18 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3g1f h ALA 86 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3g1f h ALA 86 CO -0.05 0.66 -0.08 1.15 0.00 0.00 0.00 179.25 180.94 3g1f h THR 87 N 1.09 1.26 0.02 0.00 2.02 -1.11 -0.93 112.91 115.26 3g1f h THR 87 Ca 0.23 -1.19 -0.24 0.00 0.77 0.00 0.00 66.41 65.98 3g1f h THR 87 Cb 0.35 0.95 0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3g1f h THR 87 CO -0.00 0.42 -1.01 -0.26 0.37 0.00 0.00 175.52 175.04 3g1f h PHE 88 N 0.83 0.68 -0.16 3.16 0.04 -1.16 -2.09 116.94 118.24 3g1f h PHE 88 Ca 0.14 -0.39 0.05 0.00 2.80 0.00 0.00 57.97 60.57 3g1f h PHE 88 Cb 0.60 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 3g1f h PHE 88 CO 0.04 1.22 0.15 -0.22 -0.60 0.00 0.00 178.31 178.89 3g1f h LYS 89 N 0.24 0.00 -0.20 1.51 3.64 -0.30 1.06 116.57 122.52 3g1f h LYS 89 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3g1f h LYS 89 Cb 1.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 3g1f h LYS 89 CO 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.36 3g1f n ALA 90 N -2.43 2.51 -0.20 5.00 0.00 -0.38 -4.94 120.51 120.06 3g1f n ALA 90 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3g1f n ALA 90 Cb 0.27 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3g1f n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1f n GLY 91 N 1.07 0.79 3.66 0.00 0.00 0.37 -3.83 105.19 107.25 3g1f n GLY 91 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3g1f n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f n ALA 92 N -1.14 0.71 0.43 4.61 0.00 -0.81 -4.82 120.51 119.50 3g1f n ALA 92 Ca 0.00 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.65 3g1f n ALA 92 Cb 0.00 -2.20 0.13 0.00 0.00 0.00 0.00 19.45 17.38 3g1f n ALA 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g1f h ASP 93 N 1.04 0.00 -5.20 0.00 3.32 -1.51 -3.43 116.42 110.65 3g1f h ASP 93 Ca -0.49 -0.14 0.15 0.00 0.02 0.00 0.00 57.03 56.57 3g1f h ASP 93 Cb 1.34 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.81 3g1f h ASP 93 CO 0.54 0.07 0.43 0.00 -1.72 0.00 0.00 179.24 178.56 3g1f s ALA 94 N -3.22 -1.58 -0.02 3.45 0.00 -1.17 -1.93 121.76 117.30 3g1f s ALA 94 Ca 0.05 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 3g1f s ALA 94 Cb 0.12 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.92 3g1f s ALA 94 CO 0.73 -1.01 0.15 -1.50 0.00 0.00 0.00 175.76 174.14 3g1f s ILE 95 N -3.41 0.06 -0.07 0.00 2.07 -0.90 -1.19 121.20 117.76 3g1f s ILE 95 Ca 0.11 -0.50 -0.12 0.00 -1.41 0.00 0.00 60.65 58.73 3g1f s ILE 95 Cb -0.02 -0.39 -0.05 0.00 0.13 0.00 0.00 42.46 42.13 3g1f s ILE 95 CO 0.02 -0.27 0.30 -0.63 -1.91 0.00 0.00 174.94 172.45 3g1f s ILE 96 N -0.98 5.23 0.07 2.00 1.01 -0.29 -1.44 121.20 126.80 3g1f s ILE 96 Ca -0.11 0.59 0.05 0.00 0.00 0.00 0.00 60.65 61.18 3g1f s ILE 96 Cb -0.06 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3g1f s ILE 96 CO 0.01 0.56 -0.14 -0.69 0.00 0.00 0.00 174.94 174.68 3g1f s VAL 97 N -0.80 1.09 0.06 2.92 1.01 0.10 -1.26 120.40 123.52 3g1f s VAL 97 Ca 0.20 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 3g1f s VAL 97 Cb -0.15 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.12 3g1f s VAL 97 CO 0.09 -0.23 0.66 -1.00 0.00 0.00 0.00 175.10 174.62 3g1f s HIS 98 N -1.27 3.78 -0.15 5.22 3.76 -0.24 -0.16 115.29 126.23 3g1f s HIS 98 Ca -0.02 1.37 0.20 0.00 -0.15 0.00 0.00 55.06 56.45 3g1f s HIS 98 Cb -0.10 -2.65 -0.14 0.00 1.11 0.00 0.00 32.58 30.80 3g1f s HIS 98 CO 0.02 0.44 0.76 0.41 -0.85 0.00 0.00 174.74 175.53 3g1f n GLY 99 N 2.03 -1.23 0.33 -2.22 0.00 -1.26 -4.22 105.19 98.62 3g1f n GLY 99 Ca -0.07 -0.26 0.21 0.00 0.00 0.00 0.00 46.02 45.90 3g1f n GLY 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3g1f h PHE 100 N 0.00 0.00 0.00 1.61 -0.00 -1.94 -0.72 116.94 115.89 3g1f h PHE 100 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.86 3g1f h PHE 100 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.27 3g1f h PHE 100 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 178.31 176.01 3g1f n PRO 101 N -3.23 0.04 0.00 6.09 -0.02 -1.26 -5.01 135.00 131.60 3g1f n PRO 101 Ca -0.03 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3g1f n PRO 101 Cb 0.08 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3g1f n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1f n GLY 102 N 0.88 2.23 0.15 -1.23 0.00 -0.28 -4.68 105.19 102.26 3g1f n GLY 102 Ca 0.05 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 3g1f n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f h ALA 103 N 0.00 0.27 -0.28 4.61 0.00 -1.95 -2.72 119.26 119.18 3g1f h ALA 103 Ca 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.10 3g1f h ALA 103 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3g1f h ALA 103 CO 0.00 0.83 -0.10 0.38 0.00 0.00 0.00 179.25 180.36 3g1f h ASP 104 N 0.21 0.45 -0.42 0.00 2.03 -1.99 0.16 116.42 116.86 3g1f h ASP 104 Ca -0.10 -0.10 -0.13 0.00 -0.73 0.00 0.00 57.03 55.96 3g1f h ASP 104 Cb 1.70 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 40.06 3g1f h ASP 104 CO 0.18 0.59 -0.22 0.28 -1.03 0.00 0.00 179.24 179.03 3g1f h SER 105 N 0.44 0.95 -0.12 4.15 0.02 -1.83 -2.61 113.55 114.55 3g1f h SER 105 Ca 0.09 -0.36 -0.20 0.00 -0.84 0.00 0.00 61.79 60.48 3g1f h SER 105 Cb 0.44 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.73 3g1f h SER 105 CO 0.02 1.13 -0.70 0.58 -1.14 0.00 0.00 176.83 176.73 3g1f h VAL 106 N 0.80 1.31 -0.94 2.27 2.07 -1.10 -3.22 116.25 117.44 3g1f h VAL 106 Ca 0.10 -1.94 0.04 0.00 0.82 0.00 0.00 66.70 65.72 3g1f h VAL 106 Cb 0.79 2.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.60 3g1f h VAL 106 CO 0.07 0.60 0.61 -0.09 0.02 0.00 0.00 177.57 178.78 3g1f h ARG 107 N 0.37 1.12 -0.66 1.57 9.65 -0.68 -2.28 114.38 123.47 3g1f h ARG 107 Ca -0.05 -0.07 0.05 0.00 -1.10 0.00 0.00 59.98 58.81 3g1f h ARG 107 Cb 1.34 -0.25 -0.04 0.00 -1.39 0.00 0.00 29.97 29.63 3g1f h ARG 107 CO 0.14 0.74 0.44 0.00 2.80 0.00 0.00 179.97 184.09 3g1f h ALA 108 N 1.46 1.69 -0.02 2.80 0.00 -1.47 0.20 119.26 123.91 3g1f h ALA 108 Ca 0.38 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 55.02 3g1f h ALA 108 Cb 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3g1f h ALA 108 CO -0.12 0.23 -0.96 0.00 0.00 0.00 0.00 179.25 178.40 3g1f h LEU 110 N 0.35 1.11 -0.46 0.00 3.38 -0.77 -1.05 115.31 117.87 3g1f h LEU 110 Ca -0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3g1f h LEU 110 Cb 1.60 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 3g1f h LEU 110 CO 0.18 0.86 0.17 0.78 0.09 0.00 0.00 178.44 180.52 3g1f h ASN 111 N 1.26 0.65 -0.21 -0.43 2.35 -0.62 0.08 115.58 118.66 3g1f h ASN 111 Ca 0.32 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 3g1f h ASN 111 Cb -0.03 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3g1f h ASN 111 CO -0.06 0.66 -0.29 0.58 -1.65 0.00 0.00 177.43 176.67 3g1f h VAL 112 N 0.60 1.28 -0.61 2.81 2.07 -1.44 -1.86 116.25 119.11 3g1f h VAL 112 Ca 0.15 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 3g1f h VAL 112 Cb 0.22 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3g1f h VAL 112 CO -0.01 0.46 0.22 0.00 0.02 0.00 0.00 177.57 178.26 3g1f h ALA 113 N 1.08 0.79 -0.24 1.67 0.00 -0.86 -0.96 119.26 120.74 3g1f h ALA 113 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3g1f h ALA 113 Cb 0.80 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3g1f h ALA 113 CO 0.07 0.43 0.07 0.93 0.00 0.00 0.00 179.25 180.75 3g1f h GLU 114 N 0.85 0.38 -0.54 0.00 5.08 -0.86 0.27 114.58 119.77 3g1f h GLU 114 Ca 0.20 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3g1f h GLU 114 Cb 0.24 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3g1f h GLU 114 CO -0.01 0.47 0.35 1.49 -1.00 0.00 0.00 179.01 180.31 3g1f h GLU 115 N 0.23 0.69 -0.01 2.33 4.81 -1.13 -3.13 114.58 118.36 3g1f h GLU 115 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3g1f h GLU 115 Cb 0.25 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3g1f h GLU 115 CO -0.00 0.46 -0.27 -1.33 -0.73 0.00 0.00 179.01 177.14 3g1f n MET 116 N -4.73 0.83 -2.59 1.92 2.81 -0.38 -4.95 117.12 110.04 3g1f n MET 116 Ca 0.03 -0.49 -0.02 0.00 -1.81 0.00 0.00 57.70 55.41 3g1f n MET 116 Cb 0.03 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.06 3g1f n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g1f n GLY 117 N 1.34 0.80 3.44 3.03 0.00 -0.02 -5.07 105.19 108.71 3g1f n GLY 117 Ca 0.12 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 3g1f n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g1f s ARG 118 N -5.09 1.57 -0.01 1.61 1.81 0.74 -5.03 118.95 114.56 3g1f s ARG 118 Ca 0.05 -1.81 -0.05 0.00 -1.72 0.00 0.00 55.73 52.21 3g1f s ARG 118 Cb -0.02 -1.15 -0.04 0.00 -0.45 0.00 0.00 34.95 33.29 3g1f s ARG 118 CO 0.07 0.01 0.22 -1.21 -0.68 0.00 0.00 175.30 173.71 3g1f s GLU 119 N -3.74 3.51 -0.11 3.54 0.41 -0.81 -4.38 118.70 117.12 3g1f s GLU 119 Ca 0.30 -0.18 0.02 0.00 -0.41 0.00 0.00 54.97 54.70 3g1f s GLU 119 Cb 0.04 -3.09 -0.01 0.00 -1.78 0.00 0.00 34.13 29.29 3g1f s GLU 119 CO 0.12 0.67 -0.18 0.08 -0.49 0.00 0.00 175.26 175.47 3g1f s VAL 120 N -1.29 2.64 -0.20 2.63 1.01 -1.26 -2.12 120.40 121.81 3g1f s VAL 120 Ca 0.26 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3g1f s VAL 120 Cb -0.13 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3g1f s VAL 120 CO 0.16 0.54 -0.08 -0.36 0.00 0.00 0.00 175.10 175.37 3g1f s PHE 121 N 0.24 2.91 -0.00 5.22 0.40 -0.52 -4.06 117.98 122.18 3g1f s PHE 121 Ca -0.12 -0.99 -0.22 0.00 -0.60 0.00 0.00 56.93 55.00 3g1f s PHE 121 Cb -0.16 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 3g1f s PHE 121 CO 0.06 -0.53 0.67 -1.17 0.70 0.00 0.00 175.22 174.95 3g1f s LEU 122 N 1.28 4.41 -0.51 -0.37 2.96 -0.29 0.02 118.68 126.17 3g1f s LEU 122 Ca 0.03 1.25 -0.18 0.00 -0.22 0.00 0.00 54.13 55.01 3g1f s LEU 122 Cb -0.14 -3.05 0.07 0.00 0.50 0.00 0.00 46.19 43.57 3g1f s LEU 122 CO -0.03 0.04 0.59 -0.22 -1.32 0.00 0.00 176.35 175.41 3g1f s LEU 123 N 0.03 5.18 0.13 -0.68 2.96 0.78 -0.11 118.68 126.97 3g1f s LEU 123 Ca 0.34 -1.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.15 3g1f s LEU 123 Cb -0.19 -2.37 -0.12 0.00 0.50 0.00 0.00 46.19 44.01 3g1f s LEU 123 CO 0.19 -0.88 1.28 0.71 -1.32 0.00 0.00 176.35 176.33 3g1f h THR 124 N 5.85 1.47 -2.04 3.68 1.35 -1.42 -3.35 112.91 118.45 3g1f h THR 124 Ca -0.28 -2.69 -0.06 0.00 -0.55 0.00 0.00 66.41 62.83 3g1f h THR 124 Cb 1.10 2.58 -0.19 0.00 -1.73 0.00 0.00 68.15 69.91 3g1f h THR 124 CO 0.97 0.79 0.16 -0.70 -0.25 0.00 0.00 175.52 176.50 3g1f s GLU 125 N -3.07 1.00 -0.01 4.72 2.12 -1.25 -3.94 118.70 118.26 3g1f s GLU 125 Ca -0.04 0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.69 3g1f s GLU 125 Cb 0.09 0.47 -0.03 0.00 0.26 0.00 0.00 34.13 34.92 3g1f s GLU 125 CO 0.86 -0.28 -0.03 -1.64 -0.54 0.00 0.00 175.26 173.62 3g1f s MET 126 N -0.90 2.70 0.00 4.30 -1.94 -1.26 -4.01 119.30 118.20 3g1f s MET 126 Ca -0.09 -0.63 0.22 0.00 -1.71 0.00 0.00 55.69 53.48 3g1f s MET 126 Cb -0.01 -2.60 0.31 0.00 2.01 0.00 0.00 34.83 34.54 3g1f s MET 126 CO 0.08 0.63 1.30 -1.13 -0.01 0.00 0.00 175.02 175.89 3g1f n SER 127 N 1.59 3.17 -4.79 3.03 3.41 -1.26 -4.75 113.62 114.03 3g1f n SER 127 Ca -0.16 -1.95 -0.30 0.00 -0.26 0.00 0.00 58.87 56.20 3g1f n SER 127 Cb 0.53 -0.14 0.09 0.00 -0.26 0.00 0.00 64.21 64.42 3g1f n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3g1f s HIS 128 N -1.60 2.78 0.00 7.33 -3.43 -1.26 -4.91 115.29 114.20 3g1f s HIS 128 Ca 0.32 1.35 0.00 0.00 -0.80 0.00 0.00 55.06 55.93 3g1f s HIS 128 Cb 0.20 -3.03 0.00 0.00 -1.43 0.00 0.00 32.58 28.32 3g1f s HIS 128 CO 0.29 -1.71 0.03 -2.30 -2.00 0.00 0.00 174.74 169.05 3g1f n PRO 129 N -3.43 0.00 0.00 -0.38 -0.02 -1.26 -0.85 135.00 129.06 3g1f n PRO 129 Ca 0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3g1f n PRO 129 Cb 0.54 -0.35 0.00 0.00 -0.02 0.00 0.00 33.50 33.67 3g1f n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g1f n GLY 130 N -0.07 -0.13 0.19 -1.23 0.00 -1.26 -3.09 105.19 99.60 3g1f n GLY 130 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3g1f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f h ALA 131 N 0.80 1.22 0.01 4.61 0.00 -1.29 -1.24 119.26 123.37 3g1f h ALA 131 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3g1f h ALA 131 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3g1f h ALA 131 CO 0.00 -0.22 -0.99 1.05 0.00 0.00 0.00 179.25 179.09 3g1f h GLU 132 N 0.00 0.50 -0.70 0.00 9.09 -1.76 -1.22 114.58 120.49 3g1f h GLU 132 Ca 0.00 -0.55 0.12 0.00 0.05 0.00 0.00 59.36 58.98 3g1f h GLU 132 Cb 0.61 0.16 -0.13 0.00 -1.65 0.00 0.00 28.75 27.74 3g1f h GLU 132 CO 0.00 1.18 -0.35 0.52 0.05 0.00 0.00 179.01 180.42 3g1f h MET 133 N 0.28 -0.11 0.00 1.06 2.86 -1.53 -3.39 114.93 114.10 3g1f h MET 133 Ca -0.10 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3g1f h MET 133 Cb 1.63 0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.32 3g1f h MET 133 CO 0.18 -0.07 -0.22 1.19 1.06 0.00 0.00 176.91 179.04 3g1f n PHE 134 N -5.45 0.00 0.12 -0.22 3.01 -1.26 -4.89 117.46 108.78 3g1f n PHE 134 Ca 0.06 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.41 3g1f n PHE 134 Cb 0.37 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.77 3g1f n PHE 134 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3g1f h ILE 135 N 0.00 0.60 -1.18 4.37 2.04 -1.76 -3.21 117.51 118.36 3g1f h ILE 135 Ca 0.00 -0.83 0.35 0.00 1.00 0.00 0.00 64.86 65.38 3g1f h ILE 135 Cb 0.19 0.95 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 3g1f h ILE 135 CO 0.00 0.14 0.77 -0.61 0.00 0.00 0.00 178.15 178.45 3g1f h GLN 136 N -0.90 0.22 -0.87 2.37 -0.00 -1.40 0.29 115.11 114.81 3g1f h GLN 136 Ca -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3g1f h GLN 136 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.94 3g1f h GLN 136 CO 0.06 0.14 0.00 0.41 0.00 0.00 0.00 178.83 179.45 3g1f n GLY 137 N -1.53 1.51 0.00 2.39 0.00 -1.21 -3.66 105.19 102.69 3g1f n GLY 137 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3g1f n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f n ALA 138 N 0.06 0.00 -0.15 4.61 0.00 0.96 -4.82 120.51 121.18 3g1f n ALA 138 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.65 3g1f n ALA 138 Cb 0.36 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.36 3g1f n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g1f h ALA 139 N 0.00 2.24 -0.01 0.00 0.00 -1.50 0.45 119.26 120.44 3g1f h ALA 139 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3g1f h ALA 139 Cb 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3g1f h ALA 139 CO 0.00 -0.45 -0.29 -0.44 0.00 0.00 0.00 179.25 178.07 3g1f h ASP 140 N 0.31 0.27 0.67 0.00 5.19 -1.86 -1.58 116.42 119.42 3g1f h ASP 140 Ca 0.37 -0.76 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 3g1f h ASP 140 Cb 0.98 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.41 3g1f h ASP 140 CO -0.10 0.99 0.00 -0.08 -3.12 0.00 0.00 179.24 176.93 3g1f h GLU 141 N -0.43 0.00 0.03 3.56 4.22 -1.40 -2.94 114.58 117.62 3g1f h GLU 141 Ca -0.03 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 59.04 3g1f h GLU 141 Cb 1.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 3g1f h GLU 141 CO 0.06 0.00 -2.22 -0.89 -2.18 0.00 0.00 179.01 173.78 3g1f n ILE 142 N -2.93 1.55 -0.04 2.32 5.41 0.14 -3.36 119.36 122.44 3g1f n ILE 142 Ca -0.00 -0.70 0.02 0.00 1.00 0.00 0.00 62.75 63.07 3g1f n ILE 142 Cb 0.22 -1.18 0.37 0.00 -0.71 0.00 0.00 39.64 38.34 3g1f n ILE 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g1f h ALA 143 N 0.44 1.59 -0.15 -1.39 0.00 -1.19 0.18 119.26 118.74 3g1f h ALA 143 Ca -0.49 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 3g1f h ALA 143 Cb 2.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 3g1f h ALA 143 CO 0.01 0.35 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 3g1f h ARG 144 N 0.63 0.32 -0.90 0.00 3.08 -1.68 -2.45 114.38 113.38 3g1f h ARG 144 Ca 0.16 -0.14 0.15 0.00 0.07 0.00 0.00 59.98 60.22 3g1f h ARG 144 Cb 0.00 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3g1f h ARG 144 CO -0.03 0.65 0.58 1.98 -1.07 0.00 0.00 179.97 182.08 3g1f h MET 145 N -0.02 0.68 -0.02 0.04 4.05 -1.24 -0.49 114.93 117.93 3g1f h MET 145 Ca 0.03 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 3g1f h MET 145 Cb 0.56 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3g1f h MET 145 CO 0.02 0.45 -0.02 0.78 0.23 0.00 0.00 176.91 178.37 3g1f h GLY 146 N 0.70 0.01 0.94 1.39 0.00 -0.25 -2.33 103.07 103.53 3g1f h GLY 146 Ca 0.46 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3g1f h GLY 146 CO -0.22 -0.02 -0.06 -2.08 0.00 0.00 0.00 176.54 174.16 3g1f h VAL 147 N -0.02 0.87 0.00 4.60 2.07 -0.73 -0.59 116.25 122.45 3g1f h VAL 147 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3g1f h VAL 147 Cb 0.05 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3g1f h VAL 147 CO -0.04 0.00 0.00 0.44 0.02 0.00 0.00 177.57 177.99 3g1f h ASP 148 N -0.14 0.00 0.26 0.57 3.32 -1.12 -2.03 116.42 117.28 3g1f h ASP 148 Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3g1f h ASP 148 Cb 0.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3g1f h ASP 148 CO -0.01 0.00 -1.89 0.18 -1.72 0.00 0.00 179.24 175.80 3g1f n LEU 149 N -2.31 0.30 0.00 1.55 4.77 -0.88 -4.97 117.00 115.47 3g1f n LEU 149 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3g1f n LEU 149 Cb 0.06 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3g1f n LEU 149 CO 0.12 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3g1f n GLY 150 N 1.44 0.86 3.60 -0.72 0.00 -0.76 -5.06 105.19 104.54 3g1f n GLY 150 Ca -0.14 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.37 3g1f n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3g1f n VAL 151 N -0.65 0.20 0.25 1.61 0.31 -0.29 -4.87 118.33 114.90 3g1f n VAL 151 Ca 0.00 -0.05 0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3g1f n VAL 151 Cb 0.00 -0.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.99 3g1f n VAL 151 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3g1f n LYS 152 N 2.44 4.76 -4.40 5.55 5.02 -1.26 -4.60 118.16 125.67 3g1f n LYS 152 Ca 0.17 -0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 56.11 3g1f n LYS 152 Cb 0.21 -0.79 -0.17 0.00 -0.02 0.00 0.00 35.03 34.27 3g1f n LYS 152 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3g1f s ASN 153 N -1.42 2.37 0.14 4.39 0.01 -1.26 0.74 114.94 119.91 3g1f s ASN 153 Ca 0.02 -0.41 0.09 0.00 -0.71 0.00 0.00 52.86 51.85 3g1f s ASN 153 Cb 0.04 -1.05 -0.04 0.00 0.41 0.00 0.00 41.25 40.61 3g1f s ASN 153 CO 0.21 0.00 -0.21 -0.31 -1.51 0.00 0.00 177.10 175.28 3g1f s TYR 154 N 1.04 1.91 -0.07 2.20 1.51 0.18 -1.14 117.35 122.99 3g1f s TYR 154 Ca -0.06 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 3g1f s TYR 154 Cb -0.15 -1.00 -0.00 0.00 -0.11 0.00 0.00 41.96 40.70 3g1f s TYR 154 CO -0.02 0.30 -0.20 0.08 -1.11 0.00 0.00 175.55 174.60 3g1f s VAL 155 N -1.55 1.71 0.33 0.71 1.01 0.85 -1.59 120.40 121.87 3g1f s VAL 155 Ca 0.12 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3g1f s VAL 155 Cb -0.08 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.83 3g1f s VAL 155 CO 0.06 0.48 0.50 -0.83 0.00 0.00 0.00 175.10 175.31 3g1f s GLY 156 N 0.17 1.25 -0.14 4.51 0.00 -0.74 -1.09 107.32 111.29 3g1f s GLY 156 Ca -0.10 -1.36 -0.17 0.00 0.00 0.00 0.00 44.72 43.09 3g1f s GLY 156 CO 0.05 -0.89 0.44 2.56 0.00 0.00 0.00 173.10 175.25 3g1f s PRO 157 N -3.13 4.31 0.14 2.90 0.04 -1.26 -4.09 135.00 133.91 3g1f s PRO 157 Ca 0.28 0.36 0.22 0.00 0.04 0.00 0.00 61.00 61.91 3g1f s PRO 157 Cb -0.01 -3.45 0.89 0.00 0.04 0.00 0.00 34.50 31.97 3g1f s PRO 157 CO 0.18 0.15 1.69 -1.13 0.04 0.00 0.00 177.00 177.92 3g1f n SER 158 N 3.75 0.40 -0.10 6.66 3.41 -1.19 -3.57 113.62 122.98 3g1f n SER 158 Ca -0.08 0.58 0.25 0.00 -0.26 0.00 0.00 58.87 59.36 3g1f n SER 158 Cb 0.52 -0.67 0.51 0.00 -0.26 0.00 0.00 64.21 64.31 3g1f n SER 158 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3g1f h THR 159 N 0.00 0.09 -3.09 6.66 1.35 -1.67 -3.29 112.91 112.96 3g1f h THR 159 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 65.24 3g1f h THR 159 Cb 0.43 0.19 -0.41 0.00 -1.73 0.00 0.00 68.15 66.63 3g1f h THR 159 CO 0.00 0.00 -0.68 0.00 -0.25 0.00 0.00 175.52 174.59 3g1f s ARG 160 N -4.46 1.74 0.14 4.72 1.70 -1.23 -4.62 118.95 116.93 3g1f s ARG 160 Ca -0.03 -2.50 -0.31 0.00 -0.47 0.00 0.00 55.73 52.42 3g1f s ARG 160 Cb 0.14 -2.82 -0.07 0.00 -0.57 0.00 0.00 34.95 31.62 3g1f s ARG 160 CO 0.47 -1.19 1.55 -1.35 -1.08 0.00 0.00 175.30 173.70 3g1f h PRO 161 N 6.29 -0.29 0.00 3.89 0.11 -1.90 0.37 132.00 140.48 3g1f h PRO 161 Ca 0.02 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3g1f h PRO 161 Cb 0.88 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3g1f h PRO 161 CO 0.59 -0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.34 3g1f n GLU 162 N -5.36 0.24 -0.12 1.05 0.28 -1.26 -2.14 120.64 113.33 3g1f n GLU 162 Ca -0.01 0.12 -0.18 0.00 -0.16 0.00 0.00 57.16 56.92 3g1f n GLU 162 Cb 0.33 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.59 3g1f n GLU 162 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3g1f n ARG 163 N -1.20 0.61 0.25 3.44 5.12 0.40 -4.01 116.66 121.27 3g1f n ARG 163 Ca 0.07 0.15 0.16 0.00 -1.93 0.00 0.00 57.85 56.30 3g1f n ARG 163 Cb 0.08 -1.49 0.87 0.00 -1.16 0.00 0.00 32.46 30.77 3g1f n ARG 163 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3g1f h LEU 164 N -0.08 0.00 0.12 0.55 3.38 0.12 0.77 115.31 120.17 3g1f h LEU 164 Ca -0.56 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 3g1f h LEU 164 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 3g1f h LEU 164 CO -0.11 0.00 -0.06 0.77 0.09 0.00 0.00 178.44 179.13 3g1f h SER 165 N 0.00 -0.14 0.22 -0.43 4.64 -1.66 -1.16 113.55 115.03 3g1f h SER 165 Ca 0.05 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 3g1f h SER 165 Cb 0.28 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3g1f h SER 165 CO -0.00 0.18 -0.24 -0.09 -0.87 0.00 0.00 176.83 175.81 3g1f h ARG 166 N -0.47 0.03 0.40 4.77 9.65 -1.06 0.03 114.38 127.73 3g1f h ARG 166 Ca -0.02 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 3g1f h ARG 166 Cb 0.38 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3g1f h ARG 166 CO 0.03 0.27 -0.19 1.25 2.80 0.00 0.00 179.97 184.13 3g1f h LEU 167 N 0.03 -0.46 -0.83 3.80 6.46 -0.98 -2.16 115.31 121.17 3g1f h LEU 167 Ca 0.00 -0.12 0.17 0.00 -0.12 0.00 0.00 57.88 57.81 3g1f h LEU 167 Cb 0.45 0.12 -0.11 0.00 -0.73 0.00 0.00 40.66 40.39 3g1f h LEU 167 CO 0.03 -0.07 0.37 -0.09 -0.62 0.00 0.00 178.44 178.06 3g1f h ARG 168 N -0.93 0.46 -0.53 1.25 9.65 -1.00 0.16 114.38 123.44 3g1f h ARG 168 Ca -0.06 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 58.90 3g1f h ARG 168 Cb 0.55 -0.10 -0.10 0.00 -1.39 0.00 0.00 29.97 28.93 3g1f h ARG 168 CO 0.09 0.30 -0.11 1.49 2.80 0.00 0.00 179.97 184.54 3g1f h GLU 169 N 0.47 0.02 -0.14 0.20 4.81 -0.84 0.22 114.58 119.32 3g1f h GLU 169 Ca 0.48 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.67 3g1f h GLU 169 Cb 0.80 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 3g1f h GLU 169 CO -0.44 0.01 -0.07 0.82 -0.73 0.00 0.00 179.01 178.59 3g1f h ILE 170 N 0.02 1.32 0.00 2.32 2.04 -0.07 -3.26 117.51 119.88 3g1f h ILE 170 Ca 0.26 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 3g1f h ILE 170 Cb 0.39 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3g1f h ILE 170 CO -0.53 0.33 -0.21 0.16 0.00 0.00 0.00 178.15 177.90 3g1f h ILE 171 N -0.06 0.43 0.00 -0.67 3.07 -0.88 -3.48 117.51 115.92 3g1f h ILE 171 Ca 0.03 -1.26 0.00 0.00 1.55 0.00 0.00 64.86 65.18 3g1f h ILE 171 Cb 0.55 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 3g1f h ILE 171 CO 0.02 0.21 0.00 0.61 -1.05 0.00 0.00 178.15 177.94 3g1f n GLY 172 N 0.58 -0.05 0.24 0.16 0.00 0.74 -4.34 105.19 102.53 3g1f n GLY 172 Ca 0.01 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.27 3g1f n GLY 172 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g1f n GLN 173 N -0.10 0.81 -0.74 1.61 1.13 -1.26 -3.77 117.38 115.05 3g1f n GLN 173 Ca 0.00 -0.49 0.06 0.00 -1.94 0.00 0.00 57.00 54.63 3g1f n GLN 173 Cb 0.00 -1.49 0.33 0.00 0.11 0.00 0.00 30.24 29.19 3g1f n GLN 173 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3g1f n ASP 174 N -0.67 4.89 -4.21 1.08 5.75 -1.26 -4.88 116.55 117.25 3g1f n ASP 174 Ca 0.12 -2.77 -0.27 0.00 -0.01 0.00 0.00 54.79 51.86 3g1f n ASP 174 Cb 0.35 -0.66 -0.16 0.00 -1.03 0.00 0.00 41.12 39.63 3g1f n ASP 174 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3g1f s SER 175 N -0.64 2.37 0.00 -1.12 0.01 -1.25 -4.95 113.70 108.13 3g1f s SER 175 Ca 0.45 -0.37 -0.25 0.00 1.31 0.00 0.00 55.95 57.09 3g1f s SER 175 Cb 0.34 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 66.21 3g1f s SER 175 CO 0.13 0.24 0.78 0.12 0.41 0.00 0.00 173.24 174.92 3g1f s PHE 176 N -0.41 3.68 -0.02 2.43 5.36 0.23 -4.96 117.98 124.28 3g1f s PHE 176 Ca 0.06 1.45 0.03 0.00 -0.96 0.00 0.00 56.93 57.51 3g1f s PHE 176 Cb -0.08 -2.87 -0.00 0.00 -0.34 0.00 0.00 43.02 39.73 3g1f s PHE 176 CO -0.00 0.17 -0.11 -1.17 -1.46 0.00 0.00 175.22 172.65 3g1f s LEU 177 N 0.38 1.88 0.04 6.12 2.96 -1.26 0.50 118.68 129.30 3g1f s LEU 177 Ca 0.41 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 3g1f s LEU 177 Cb -0.20 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 3g1f s LEU 177 CO 0.22 0.10 -0.07 0.27 -1.32 0.00 0.00 176.35 175.55 3g1f s ILE 178 N 0.03 0.48 -0.06 6.68 -4.36 -0.62 0.38 121.20 123.73 3g1f s ILE 178 Ca -0.01 -1.04 -0.31 0.00 -0.26 0.00 0.00 60.65 59.03 3g1f s ILE 178 Cb -0.08 -0.55 0.08 0.00 1.25 0.00 0.00 42.46 43.15 3g1f s ILE 178 CO 0.00 -0.39 0.71 -0.94 0.24 0.00 0.00 174.94 174.56 3g1f s SER 179 N -1.54 -0.63 -0.18 4.36 1.04 -1.10 -1.80 113.70 113.86 3g1f s SER 179 Ca -0.11 0.67 -0.29 0.00 0.48 0.00 0.00 55.95 56.70 3g1f s SER 179 Cb -0.10 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 3g1f s SER 179 CO 0.00 -0.59 1.27 -2.16 0.98 0.00 0.00 173.24 172.74 3g1f s PRO 180 N -1.25 4.21 -0.15 4.02 0.04 -1.26 -1.13 135.00 139.48 3g1f s PRO 180 Ca -0.10 1.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.32 3g1f s PRO 180 Cb -0.00 -3.78 -0.23 0.00 0.04 0.00 0.00 34.50 30.53 3g1f s PRO 180 CO 0.09 -0.74 0.59 0.78 0.04 0.00 0.00 177.00 177.76 3g1f h GLY 181 N 9.83 0.00 -2.42 0.56 0.00 -1.77 -3.16 103.07 106.11 3g1f h GLY 181 Ca -0.26 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.83 3g1f h GLY 181 CO 0.98 0.00 -0.49 0.14 0.00 0.00 0.00 176.54 177.16 3g1f s VAL 182 N -2.23 0.00 0.00 4.60 1.01 -1.26 -3.05 120.40 119.48 3g1f s VAL 182 Ca -0.20 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 59.90 3g1f s VAL 182 Cb -0.01 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3g1f s VAL 182 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.34 3g1f n GLY 183 N -0.34 1.81 0.00 4.51 0.00 -1.26 -3.77 105.19 106.14 3g1f n GLY 183 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3g1f n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1f n ALA 184 N 0.00 0.00 -4.37 4.61 0.00 -1.26 -4.51 120.51 114.97 3g1f n ALA 184 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3g1f n ALA 184 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3g1f n ALA 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3g1f n GLN 185 N 0.00 0.90 -4.10 0.00 3.00 -1.26 -5.10 117.38 110.82 3g1f n GLN 185 Ca 0.00 -3.07 -0.26 0.00 -0.01 0.00 0.00 57.00 53.66 3g1f n GLN 185 Cb 0.00 0.67 -0.06 0.00 0.00 0.00 0.00 30.24 30.85 3g1f n GLN 185 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3g1f s GLY 186 N -3.52 2.40 0.00 1.08 0.00 -1.17 -4.44 107.32 101.67 3g1f s GLY 186 Ca 0.09 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.06 3g1f s GLY 186 CO 0.06 -1.93 0.00 0.61 0.00 0.00 0.00 173.10 171.83 3g1f n GLY 187 N -1.37 -1.99 3.81 0.20 0.00 -1.23 -3.62 105.19 100.98 3g1f n GLY 187 Ca -0.03 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 3g1f n GLY 187 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3g1f s ASP 188 N -2.25 4.82 0.25 1.61 -4.77 -1.26 -4.12 116.67 110.95 3g1f s ASP 188 Ca 0.00 -0.83 -0.05 0.00 -3.30 0.00 0.00 52.55 48.37 3g1f s ASP 188 Cb 0.00 -0.61 0.29 0.00 -1.09 0.00 0.00 42.92 41.50 3g1f s ASP 188 CO 0.00 -0.52 1.88 1.55 0.70 0.00 0.00 175.17 178.77 3g1f h PRO 189 N 1.27 1.17 -1.57 2.11 0.13 -1.93 -1.60 132.00 131.57 3g1f h PRO 189 Ca -0.43 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 3g1f h PRO 189 Cb 1.26 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3g1f h PRO 189 CO 0.62 0.86 0.00 0.41 -0.23 0.00 0.00 178.00 179.66 3g1f n GLY 190 N -1.15 0.88 2.18 1.56 0.00 -1.26 -3.54 105.19 103.86 3g1f n GLY 190 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3g1f n GLY 190 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3g1f n GLU 191 N 0.80 0.00 -0.33 1.61 0.00 -1.02 -4.95 120.64 116.74 3g1f n GLU 191 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 57.16 57.37 3g1f n GLU 191 Cb 0.22 0.00 0.43 0.00 0.00 0.00 0.00 31.44 32.09 3g1f n GLU 191 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 3g1f h THR 192 N 0.00 0.37 0.00 6.31 2.02 -1.37 -1.06 112.91 119.18 3g1f h THR 192 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3g1f h THR 192 Cb 0.00 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 3g1f h THR 192 CO 0.00 0.07 0.00 0.18 0.37 0.00 0.00 175.52 176.14 3g1f n LEU 193 N -5.02 0.23 0.06 2.58 4.77 -1.23 -2.75 117.00 115.64 3g1f n LEU 193 Ca 0.29 -0.11 0.04 0.00 -0.03 0.00 0.00 56.01 56.20 3g1f n LEU 193 Cb 0.88 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.81 3g1f n LEU 193 CO 0.11 0.06 -0.17 0.54 -1.33 0.00 0.00 177.39 176.60 3g1f n ARG 194 N 0.14 0.61 0.00 3.23 1.74 -0.40 -4.51 116.66 117.47 3g1f n ARG 194 Ca 0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 3g1f n ARG 194 Cb 0.06 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 3g1f n ARG 194 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3g1f n PHE 195 N -2.81 0.00 -3.87 -1.55 3.01 -1.11 -5.06 117.46 106.07 3g1f n PHE 195 Ca -0.06 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.12 3g1f n PHE 195 Cb 0.73 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.17 3g1f n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g1f s ALA 196 N -1.29 3.94 -0.49 4.37 0.00 -1.15 -4.82 121.76 122.32 3g1f s ALA 196 Ca 0.00 -0.90 0.24 0.00 0.00 0.00 0.00 51.96 51.29 3g1f s ALA 196 Cb 0.00 -1.86 0.30 0.00 0.00 0.00 0.00 23.12 21.56 3g1f s ALA 196 CO 0.00 0.62 1.35 -0.44 0.00 0.00 0.00 175.76 177.29 3g1f h ASP 197 N 2.45 0.00 -4.41 0.00 3.32 -0.41 -3.40 116.42 113.96 3g1f h ASP 197 Ca -0.47 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.51 3g1f h ASP 197 Cb 1.18 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.52 3g1f h ASP 197 CO 0.71 0.04 0.38 0.00 -1.72 0.00 0.00 179.24 178.66 3g1f s ALA 198 N -3.23 -1.86 -0.02 3.45 0.00 -1.21 -4.58 121.76 114.32 3g1f s ALA 198 Ca 0.05 1.52 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 3g1f s ALA 198 Cb 0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3g1f s ALA 198 CO 0.72 -0.33 0.11 0.96 0.00 0.00 0.00 175.76 177.22 3g1f s ILE 199 N -1.00 4.97 -0.47 0.00 -4.36 -0.35 -2.72 121.20 117.26 3g1f s ILE 199 Ca -0.05 -0.29 -0.14 0.00 -0.26 0.00 0.00 60.65 59.91 3g1f s ILE 199 Cb -0.01 -3.27 0.09 0.00 1.25 0.00 0.00 42.46 40.51 3g1f s ILE 199 CO 0.04 0.37 0.38 -0.63 0.24 0.00 0.00 174.94 175.34 3g1f s ILE 200 N -1.21 4.94 0.05 8.37 1.01 -0.28 -0.77 121.20 133.31 3g1f s ILE 200 Ca 0.23 -1.25 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 3g1f s ILE 200 Cb -0.12 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 3g1f s ILE 200 CO 0.14 -0.62 0.21 0.68 0.00 0.00 0.00 174.94 175.36 3g1f s VAL 201 N 1.57 5.39 0.00 2.92 -7.23 -0.75 -3.37 120.40 118.93 3g1f s VAL 201 Ca 0.04 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 3g1f s VAL 201 Cb -0.25 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.08 3g1f s VAL 201 CO 0.05 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 3g1f n GLY 202 N 0.42 1.31 0.33 2.32 0.00 -1.25 -0.03 105.19 108.30 3g1f n GLY 202 Ca -0.06 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3g1f n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g1f h ARG 203 N 0.00 0.03 -1.02 1.61 3.08 -1.84 0.57 114.38 116.80 3g1f h ARG 203 Ca 0.00 -0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.32 3g1f h ARG 203 Cb 0.00 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 3g1f h ARG 203 CO 0.00 0.02 0.69 0.77 -1.07 0.00 0.00 179.97 180.37 3g1f h SER 204 N 0.03 0.30 0.00 7.04 0.02 -1.87 0.44 113.55 119.50 3g1f h SER 204 Ca 0.55 0.05 -0.29 0.00 -0.84 0.00 0.00 61.79 61.26 3g1f h SER 204 Cb 1.07 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 3g1f h SER 204 CO -0.89 0.07 -1.67 -0.38 -1.14 0.00 0.00 176.83 172.82 3g1f n ILE 205 N -4.48 1.52 0.18 3.27 2.08 0.16 -4.13 119.36 117.97 3g1f n ILE 205 Ca 0.23 -0.13 0.07 0.00 0.56 0.00 0.00 62.75 63.48 3g1f n ILE 205 Cb 0.92 -2.03 0.22 0.00 -0.75 0.00 0.00 39.64 38.00 3g1f n ILE 205 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 3g1f h TYR 206 N -1.00 0.00 -0.94 1.39 -0.00 -1.40 -3.21 116.97 111.82 3g1f h TYR 206 Ca -0.44 0.00 -0.60 0.00 0.00 0.00 0.00 58.73 57.69 3g1f h TYR 206 Cb 1.34 0.00 -0.30 0.00 0.00 0.00 0.00 36.73 37.78 3g1f h TYR 206 CO -0.02 0.33 0.62 1.28 -0.00 0.00 0.00 178.16 180.36 3g1f n LEU 207 N -3.28 7.03 -4.32 0.10 4.77 0.15 -4.91 117.00 116.54 3g1f n LEU 207 Ca 0.01 -4.14 -0.31 0.00 -0.03 0.00 0.00 56.01 51.54 3g1f n LEU 207 Cb 0.59 -0.87 -0.16 0.00 -2.33 0.00 0.00 43.42 40.65 3g1f n LEU 207 CO 0.37 1.42 -0.55 0.00 -1.33 0.00 0.00 177.39 177.30 3g1f s ALA 208 N -3.65 2.24 0.49 -1.18 0.00 -1.21 -4.85 121.76 113.60 3g1f s ALA 208 Ca 0.61 -1.07 0.36 0.00 0.00 0.00 0.00 51.96 51.86 3g1f s ALA 208 Cb 0.49 -0.67 1.91 0.00 0.00 0.00 0.00 23.12 24.85 3g1f s ALA 208 CO 0.02 0.48 2.21 -0.44 0.00 0.00 0.00 175.76 178.04 3g1f h ASP 209 N 5.72 0.00 -2.10 0.00 5.19 -1.91 -3.19 116.42 120.14 3g1f h ASP 209 Ca -0.39 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.45 3g1f h ASP 209 Cb 1.15 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.26 3g1f h ASP 209 CO 0.48 0.03 -0.94 0.59 -3.12 0.00 0.00 179.24 176.27 3g1f n ASN 210 N -3.34 1.21 -0.36 6.45 4.13 -1.26 -5.00 115.26 117.09 3g1f n ASN 210 Ca -0.02 -2.90 0.02 0.00 1.68 0.00 0.00 54.58 53.37 3g1f n ASN 210 Cb 0.16 -0.65 0.09 0.00 -1.54 0.00 0.00 39.78 37.84 3g1f n ASN 210 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3g1f h PRO 211 N 4.17 -0.01 -0.89 3.52 0.11 -1.74 0.62 132.00 137.78 3g1f h PRO 211 Ca 0.12 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.38 3g1f h PRO 211 Cb 0.82 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.83 3g1f h PRO 211 CO 0.57 -0.00 0.48 0.00 -0.21 0.00 0.00 178.00 178.83 3g1f h ALA 212 N 1.70 1.36 -0.43 -0.75 0.00 -1.89 0.27 119.26 119.51 3g1f h ALA 212 Ca 0.41 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.28 3g1f h ALA 212 Cb 0.66 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3g1f h ALA 212 CO -0.99 -0.07 -0.22 0.00 0.00 0.00 0.00 179.25 177.97 3g1f h ALA 213 N 1.57 0.79 0.12 0.00 0.00 -1.24 -2.38 119.26 118.12 3g1f h ALA 213 Ca 0.49 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3g1f h ALA 213 Cb 0.69 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3g1f h ALA 213 CO -0.36 0.65 -0.44 0.00 0.00 0.00 0.00 179.25 179.10 3g1f h ALA 214 N 0.98 -0.80 -0.10 0.00 0.00 -0.32 0.23 119.26 119.25 3g1f h ALA 214 Ca 0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3g1f h ALA 214 Cb 0.77 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3g1f h ALA 214 CO 0.06 -1.02 -0.27 0.00 0.00 0.00 0.00 179.25 178.02 3g1f h ALA 215 N -0.25 1.36 -0.19 0.00 0.00 -1.51 -1.86 119.26 116.81 3g1f h ALA 215 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3g1f h ALA 215 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3g1f h ALA 215 CO -0.25 0.45 0.10 0.00 0.00 0.00 0.00 179.25 179.55 3g1f h ALA 216 N 1.56 0.23 -0.28 0.00 0.00 -0.79 0.13 119.26 120.12 3g1f h ALA 216 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3g1f h ALA 216 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3g1f h ALA 216 CO 0.04 -0.32 0.08 0.78 0.00 0.00 0.00 179.25 179.84 3g1f h GLY 217 N 0.21 0.47 0.77 0.00 0.00 -0.14 0.23 103.07 104.62 3g1f h GLY 217 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3g1f h GLY 217 CO -0.04 0.26 -0.20 -2.22 0.00 0.00 0.00 176.54 174.34 3g1f h ILE 218 N 0.29 0.56 0.00 2.60 2.04 -1.07 1.07 117.51 123.01 3g1f h ILE 218 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3g1f h ILE 218 Cb 0.25 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3g1f h ILE 218 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 3g1f n ILE 219 N -5.33 0.84 0.05 -0.67 3.06 0.44 -1.22 119.36 116.53 3g1f n ILE 219 Ca -0.08 0.21 0.00 0.00 -2.50 0.00 0.00 62.75 60.38 3g1f n ILE 219 Cb 0.24 -1.10 -0.07 0.00 0.54 0.00 0.00 39.64 39.26 3g1f n ILE 219 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 3g1f h GLU 220 N 0.00 0.00 0.00 9.51 4.81 0.90 -3.26 114.58 126.54 3g1f h GLU 220 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3g1f h GLU 220 Cb 0.36 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3g1f h GLU 220 CO 0.00 0.32 -0.68 1.03 -0.73 0.00 0.00 179.01 178.95 3g1f h SER 221 N 0.00 0.00 -0.27 1.04 0.87 0.26 -1.98 113.55 113.47 3g1f h SER 221 Ca -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3g1f h SER 221 Cb 1.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 3g1f h SER 221 CO 0.05 0.68 0.00 -0.38 -0.53 0.00 0.00 176.83 176.65 3g1f n ILE 222 N -3.72 1.10 0.14 2.23 5.41 -0.85 -4.04 119.36 119.62 3g1f n ILE 222 Ca -0.01 -0.59 -0.10 0.00 1.00 0.00 0.00 62.75 63.05 3g1f n ILE 222 Cb 0.67 -0.31 -0.06 0.00 -0.71 0.00 0.00 39.64 39.24 3g1f n ILE 222 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3g1f h LYS 223 N 1.79 -0.40 0.00 0.38 1.63 -1.40 -2.91 116.57 115.65 3g1f h LYS 223 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3g1f h LYS 223 Cb 1.04 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 3g1f h LYS 223 CO 0.18 -0.10 0.00 -3.47 -3.45 0.00 0.00 179.45 172.61 3g1f n ASP 224 N -5.06 0.00 -0.01 4.20 2.03 -1.26 -5.12 116.55 111.34 3g1f n ASP 224 Ca -0.08 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.18 3g1f n ASP 224 Cb 0.25 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 3g1f n ASP 224 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46